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Mycolipanoate synthase

Polyketide synthase involved in the biosynthesis of methyl-branched fatty acids such as mycolipanoic, mycolipenic (phthienoic) and mycolipodienoic acids required for the synthesis of a major class of polyacylated trehaloses. Catalyzes the elongation of CoA esters of long-chain fatty acids by incorporation of three methylmalonyl (but not malonyl) residues, to form trimethyl-branched fatty-acids.

AlphaFold DB , UniProt , Accession A0A089QRB9, Species MYCTU (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)), Gene msl3, Length 2,085 aa.

>MSL3_MYCTU|A0A089QRB9|msl3
MRTATATSVAVIGMACRLPGGIDSPQRLWEALLRGDDLVGEIPADRWDANVYYDPEPGVPGRSVSRWGAFLDDVGGFDCDFFGLTEREATAIDPQHRLLLEVSWEAIEHAGVDPATLAESQTGVFVGLTHGDYELLSADCGAAEGPYGFTGTSNSFASGRVAYTLGLHGPAVTVDTACSSGLTAVHQACRSLDDGESDLALAGGVVVTLEPRKSVSGSLQGMLSPTGRCHAFDEAADGFVSGEGCVVLLLKRLPDAVRDGDRVLAIVRGTAANQDGRTVNIAAPSAQAQIAVYQQALAAAGVEASTVGMVEAHGTGTPVGDPVEYASLAAVYGTEGPCALTSVKTNFGHLQSASGPLGLMKTILALRHGVVPQNLHFCRLPDQLAEIDTELFVPQANTSWPDNTGQPRRAAVSSYGMSGTNVHAILEQAPVSEPAASGPELTPEAGGLALFPVSATSAEQLHVTAARLADWVDQNGNAGSRVSMRDLGYTLSCRRAHRPVRTVVTASSFDELSAALRDVAGDQIPYQPAVGHDDRGPVWVFSGQGSQWPGMGTELLVAEPVFAATVAAMEPVIARESGFSVTEAMSAPQTVSGIDRVQPTIFAVQVALAAALKSYGVRPGAIIGHSLGEAAAAVVAGALSLHDGLRVICRRSRLMSRIAGSGAMASVELPGQQVLSELAIRGISDVVLSVVASPTSTVVGGATQSIRDLVAAWEQQDVLAREVAVDVASHTPQVDPILDELLEVLAEVDPTAPEIPYYSATLWDPRERPSFTGEYWVENLRYTVRFAAAVQAALKDGYRVFGELAPHPLLTYAVEQNAASLDMPIATLAAMRRGEQLPFGLRGFVADVHNAGAKVDFSVQYPDGRLVDAPLPSWTHRTLMLSREDSHRSHTGAVQAVHPLLGAHVHLLEEPERHVWQAGVGTGAHPWLGDHRIHNVAAFPGAAYCEMALAAARTTLGELSEVRDIKFEQTLLLDEQTVVSSAATIAAPGILQFAVESHQEGEPARRASAMLHALEEMPQPPGYDTNALTAAHESSMSGEELRKMFNSLGIQYGPAFSGLVAVHTARGDVTTVLAEVALPGAIRSQQSAYASHPALLDACFQSVLVHPEVQKATVGGLMLPVGVRRLRNYHSTRSAHYCLARVTSSSRAGECEADLDVFDQAGTVLLTVEGLRLAAGISEHERANRVFDERLLTIEWERGELPEVPQIDAGSWLLLSASEADPLTAQLADALNAVGAQSTSVASASDVAQLRSLLGGRLTGVVVVTGPPTGGLTQCGRDYVSQLVGIARELAELPGEPPRLFVVTRSAASVLPSDLANLEQAGLRGLMRVIDSEHPHLGATAIDVDNDETVAALVASQLQSGSQEDETAWRNGIWYTARLRPGPLRPAERRTAVVEYRRDGMRLQIRTPGDLESLEFVTFDRVAPGPGEIEVAVTASSVNFADVLVAFGRYPTFEGYRQQLGIDFAGVVTAVGPDVTEHRIGDHVGGMSANGCWSTFVRCDARLAVTLPPELPVAAAAAVPTASATAWYALHDLARICSDDKVLIHSGTGGVGQAAIAIARAAGCEIFATAGSAQRRQLLHDMGVEHVYDSRSTEFAEQIRGDTDGYGVDVVLNSLPGAAQRAGIELLAFGGRFVEIGKRDIYGDTRLGLFPFRRNLSLYAVDLALLTHSHPHTVRRLLKTVYQHTVEGTLPVPQTTHYPIHDAAVAIRLVGGAGHTGKVVLDVPRTGEGVAVVPPEQVRTSRPDGAYLVTGGLGGLGLFLAGELAAAGCGRIVLNSRSTPSPHATRVIERLRAAGADIQVECGDIADAATAHRVVAVATASGLPVRGVLHAAAVVEDATLANVTDELIDRCWAPKVHGAWNIHRATAAQPLEWFCLFSSAAALVGSPGQGAYAAANSWLDAFAHWRRAQGLPATSIAWGAWAEIGRATALAEGTGAAIAPAEGARAFQTLLRYGRAYSGYAPIMGTPWLTAFAQRSRFAEAFHATGQNQPATGKFLAELGSLPREEWPRTVRRLVSDQISLLLRRTIDPDRPLSDYGLDSLGNLELRTRIETETGIRVSPTKITTVRGLAEHVCDELAAAQSAPV
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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
1M33.3Very low69.3Low236 Ų23681.5 Ų81.5100%1.16345%0.447SS*.  0162.90-65.371.3169.300108.5
2R33.6Very low71.5Confident238 Ų23874.8 Ų74.890%0.89841%0.411SS*.  trans-68.2138.2152.5-76.4-178.3174.2174.7-2.6106.9A4R2-A4 VanDerWaalsContact C-N 3.28Å; R2-A4 PolarHBondContact O-N 3.21Å
3T40.5Very low73.5Confident136 Ų13669.1 Ų69.183%0.83438%0.379SS*.  trans-69.692.6162.342.60000107T5T3-T5 VanDerWaalsContact C-N 3.35Å; T3-T5 PolarHBondContact O-N 3.39Å
4A49.6Very low75.2Confident92 Ų9264.1 Ų64.176%0.7635%0.352SS*.  trans-71.796.6169.200000107.3R2R2-A4 VanDerWaalsContact C-N 3.28Å; R2-A4 PolarHBondContact O-N 3.21Å
5T62.7Low76.7Confident91 Ų9160.1 Ų60.156%0.55833%0.33SS*.PPolyproline II helixtrans-55.9133.1159.147.30000107.6T3T3-T5 VanDerWaalsContact C-N 3.35Å; T3-T5 PolarHBondContact O-N 3.39Å
6A71.8Confident78.1Confident21 Ų2156.3 Ų56.317%0.17431%0.309CS..PPolyproline II helixtrans-59.4147.4179.800000110.7S8 A299A6-S8 PolarHBondContact O-N 2.79Å; A6-S8 VanDerWaalsContact O-N 3.14Å; A6-A299 PolarHBondContact N-O 2.78Å
7T83.7Confident79.2Confident51 Ų5154.9 Ų54.931%0.31330%0.299SS..PPolyproline II helixtrans-58.6121.1169.8-58.50000108.6V9 D193 R252T7-V9 PolarHBondContact O-N 3.45Å; T7-D193 WeakPolarHBondContact CA-OD1 3.19Å; T7-D193 WeakPolarHBondContact CB-OD1 3.29Å; T7-D193 PolarHBondContact N-OD1 2.91Å; T7-D193 PolarHBondContact OG1-OD1 2.72Å; T7-R252 HydrophobicContact CG2-CB 4.13Å; T7-R252 HydrophobicContact CG2-CG 3.91Å
8S92.6Very high80.3Confident29 Ų2952 Ų5220%0.20328%0.283CS..PPolyproline II helixtrans-63.5130.6179-61.40000110.2A6 L253A6-S8 PolarHBondContact O-N 2.79Å; A6-S8 VanDerWaalsContact O-N 3.14Å; S8-L253 WeakPolarHBondContact O-CB 3.21Å; S8-L253 PolarHBondContact O-N 2.97Å
9V97.5Very high81.2Confident3 Ų349.4 Ų49.42%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-103.2124.9-176.8171.20000108.8T7 C189 L192 L250 K251 I266 V267T7-V9 PolarHBondContact O-N 3.45Å; V9-C189 HydrophobicContact CG2-CB 4.33Å; V9-L192 HydrophobicContact CG1-CD1 3.8Å; V9-L192 HydrophobicContact CG2-CB 4.44Å; V9-L192 HydrophobicContact CG2-CD1 4.01Å; V9-L250 HydrophobicContact CG1-CB 3.75Å; V9-L250 HydrophobicContact CG1-CD1 4.38Å; V9-L250 HydrophobicContact CG1-CD2 4.18Å; V9-L250 HydrophobicContact CG1-CG 4.33Å; V9-K251 CarbonylContact C-O 3.52Å; V9-K251 WeakPolarHBondContact CA-O 3.4Å; V9-I266 CarbonylContact O-C 3.02Å; V9-I266 WeakPolarHBondContact O-CA 3.35Å; V9-V267 HydrophobicContact CB-CB 4.33Å; V9-V267 PolarHBondContact N-O 2.83Å; V9-V267 PolarHBondContact O-N 3.19Å
10A97.9Very high81.8Confident0 Ų049.3 Ų49.30%028%0.28CS..EExtended strand (participates in β ladder)trans-79.5133.6169.600000109.9I12 L250 K251 L253 A256 V263A10-I12 HydrophobicContact CB-CG2 3.97Å; A10-L250 WeakPolarHBondContact O-CA 3.23Å; A10-K251 PolarHBondContact N-O 2.9Å; A10-K251 PolarHBondContact O-N 2.92Å; A10-L253 HydrophobicContact CB-CB 4.39Å; A10-L253 HydrophobicContact CB-CD1 3.99Å; A10-A256 HydrophobicContact CB-CB 3.83Å; A10-V263 HydrophobicContact CB-CG1 4.04Å; A10-V263 HydrophobicContact CB-CG2 4.02Å
11V98.4Very high82.2Confident0 Ų048.6 Ų48.60%028%0.283CS..EExtended strand (participates in β ladder)trans-86.1117.1160.2-167.50000106.6L248 L250 L264 A265 V267 I363V11-L248 HydrophobicContact CG1-CB 4.25Å; V11-L248 HydrophobicContact CG1-CD2 4.41Å; V11-L250 HydrophobicContact CB-CD2 4.24Å; V11-L250 HydrophobicContact CG1-CD2 4.17Å; V11-L250 HydrophobicContact CG2-CD2 3.78Å; V11-L264 HydrophobicContact CG1-CD1 4.36Å; V11-L264 WeakPolarHBondContact O-CB 3.41Å; V11-L264 WeakPolarHBondContact O-CG 3.46Å; V11-L264 PolarHBondContact O-N 2.87Å; V11-A265 PolarHBondContact N-O 3.22Å; V11-V267 HydrophobicContact CG2-CG2 4.02Å; V11-I363 HydrophobicContact CB-CD1 4.34Å; V11-I363 HydrophobicContact CG1-CD1 4.09Å; V11-I363 HydrophobicContact CG2-CD1 4.05Å
12I96.6Very high85.2Confident1 Ų137.7 Ų37.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-107.5-29.5-176.464.8168.6000113.2A10 A110 L199 L249 K251 A256 D261 R262A10-I12 HydrophobicContact CB-CG2 3.97Å; I12-A110 HydrophobicContact CB-CB 4.49Å; I12-A110 HydrophobicContact CD1-CB 4.14Å; I12-A110 HydrophobicContact CG1-CB 3.98Å; I12-L199 HydrophobicContact CD1-CD1 3.99Å; I12-L249 HydrophobicContact CD1-CD2 3.99Å; I12-L249 HydrophobicContact CD1-CG 4.38Å; I12-L249 HydrophobicContact CG1-CB 4.31Å; I12-L249 HydrophobicContact CG1-CD2 4.03Å; I12-L249 HydrophobicContact CG1-CG 4.12Å; I12-L249 PolarHBondContact N-O 3.03Å; I12-K251 HydrophobicContact CD1-CB 4.28Å; I12-K251 HydrophobicContact CD1-CD 4.13Å; I12-K251 HydrophobicContact CG2-CB 4.47Å; I12-A256 HydrophobicContact CG2-CB 4.08Å; I12-D261 HydrophobicContact CB-CB 4.44Å; I12-D261 HydrophobicContact CD1-CB 4.4Å; I12-D261 HydrophobicContact CG2-CB 3.96Å; I12-R262 VanDerWaalsContact CA-O 3.23Å; I12-R262 WeakPolarHBondContact CA-O 3.37Å; I12-R262 WeakPolarHBondContact CB-O 3.28Å
13G96.6Very high88.1Confident0 Ų028 Ų280%020%0.196CC..EExtended strand (participates in β ladder)trans-134154.5175.600000111.1A106 L249G13-A106 WeakPolarHBondContact CA-O 3.47Å; G13-L249 PolarHBondContact N-O 3.46Å; G13-L249 PolarHBondContact O-N 2.72Å
14M97.8Very high90.6Very high0 Ų023 Ų230%017%0.166CC..EExtended strand (participates in β ladder)trans-160140.5173.562.9-174.6179.700110.5P25 H109 V247 L248 L264 M360 I363 L364M14-P25 HydrophobicContact CE-CB 3.75Å; M14-P25 HydrophobicContact CE-CG 4.15Å; M14-P25 HydrophobicContact CG-CB 4.42Å; M14-P25 HydrophobicContact CG-CG 3.82Å; M14-P25 WeakPolarHBondContact O-CG 3.49Å; M14-H109 PolarHBondContact N-ND1 2.92Å; M14-H109 PolarHBondContact O-CD2 3.43Å; M14-H109 VanDerWaalsContact O-CG 3.26Å; M14-V247 WeakPolarHBondContact CA-O 3.34Å; M14-L248 HydrophobicContact CB-CD2 3.58Å; M14-L264 HydrophobicContact CB-CD1 4.4Å; M14-L264 HydrophobicContact CE-CD1 4.11Å; M14-L264 HydrophobicContact CG-CD1 3.76Å; M14-L264 HydrophobicContact SD-CD1 3.96Å; M14-M360 HydrophobicContact CB-CE 3.74Å; M14-M360 HydrophobicContact CG-CE 3.93Å; M14-M360 HydrophobicContact SD-CE 4.28Å; M14-M360 HydrophobicContact SD-CG 4.07Å; M14-I363 HydrophobicContact CE-CG2 3.95Å; M14-I363 HydrophobicContact SD-CB 4.34Å; M14-I363 HydrophobicContact SD-CD1 4.24Å; M14-I363 HydrophobicContact SD-CG2 3.84Å; M14-L364 HydrophobicContact CE-CD2 3.98Å; M14-L364 HydrophobicContact CE-CG 4.43Å
15A98.2Very high92.8Very high3 Ų319 Ų193%0.02513%0.132CC..EExtended strand (participates in β ladder)trans-145.2161.4176.800000111.1V102 E105 A106 V247 M360A15-V102 VanDerWaalsContact C-CG1 3.43Å; A15-V102 HydrophobicContact CB-CG1 3.85Å; A15-V102 WeakPolarHBondContact O-CG1 3.28Å; A15-E105 HydrophobicContact CB-CB 3.43Å; A15-E105 VanDerWaalsContact CB-CB 3.43Å; A15-A106 HydrophobicContact CB-CB 4.11Å; A15-V247 PolarHBondContact N-O 2.83Å; A15-V247 PolarHBondContact O-N 2.78Å; A15-M360 WeakPolarHBondContact O-CE 3.29Å
16C98.1Very high94.2Very high0 Ų018.7 Ų18.70%013%0.125CC..EExtended strand (participates in β ladder)trans-154.4154.6-177.3590000112.4L18 D23 C245 V246 M360C16-L18 HydrophobicContact CB-CD1 4.02Å; C16-L18 HydrophobicContact CB-CG 4.05Å; C16-D23 CarbonylContact O-C 3.43Å; C16-D23 WeakPolarHBondContact O-CA 3.39Å; C16-C245 CarbonylContact C-O 3.6Å; C16-C245 WeakPolarHBondContact CA-O 3.4Å; C16-C245 WeakPolarHBondContact CB-O 3.47Å; C16-V246 HydrophobicContact CB-CB 4.44Å; C16-V246 HydrophobicContact CB-CG1 4.45Å; C16-V246 HydrophobicContact CB-CG2 3.88Å; C16-M360 HydrophobicContact CB-CE 3.96Å; C16-M360 HydrophobicContact CB-SD 3.93Å; C16-M360 VanDerWaalsContact SG-SD 3.61Å
17R97.7Very high95.2Very high33 Ų3322.7 Ų22.713%0.12514%0.135CC..EExtended strand (participates in β ladder)trans-129.3117.8165.4-153.470.862.374.5-3.4107.3I22 L71 L98 E101 V102 E105 G244 C245 H876R17-I22 WeakPolarHBondContact CA-O 3.38Å; R17-L71 HydrophobicContact CG-CD2 4.45Å; R17-L98 HydrophobicContact CB-CD2 4.22Å; R17-L98 HydrophobicContact CG-CD2 4.15Å; R17-E101 IonicContact CZ-OE2 3.69Å; R17-E101 VanDerWaalsContact CZ-OE2 3.32Å; R17-E101 IonicContact NH1-OE2 3.23Å; R17-E101 PolarHBondContact NH1-OE2 2.79Å; R17-E101 IonicContact NH2-OE2 3.09Å; R17-E101 PolarHBondContact NH2-OE2 3.41Å; R17-V102 HydrophobicContact CB-CG2 4.02Å; R17-E105 IonicContact CZ-OE1 2.98Å; R17-E105 IonicContact NH2-OE1 3.1Å; R17-E105 PolarHBondContact NH2-OE1 2.94Å; R17-E105 IonicContact NH2-OE2 2.73Å; R17-G244 WeakPolarHBondContact O-CA 3.34Å; R17-C245 PolarHBondContact N-O 2.94Å; R17-C245 PolarHBondContact O-N 2.78Å; R17-H876 PolarHBondContact NH1-CE1 3.12Å
18L98.3Very high95.8Very high2 Ų220.2 Ų20.21%0.0112%0.12CC..BIsolated β-bridgetrans-139.9155.3-167.1-61.4170.8000110.8C16 I22 L28 L71 V246 F347 L350 L357C16-L18 HydrophobicContact CB-CD1 4.02Å; C16-L18 HydrophobicContact CB-CG 4.05Å; L18-I22 HydrophobicContact CB-CB 3.98Å; L18-I22 HydrophobicContact CB-CG2 4.07Å; L18-I22 HydrophobicContact CD1-CG2 4.08Å; L18-I22 PolarHBondContact N-O 3.02Å; L18-I22 PolarHBondContact O-N 3.06Å; L18-I22 VanDerWaalsContact O-N 3.15Å; L18-L28 HydrophobicContact CD1-CD1 3.96Å; L18-L28 HydrophobicContact CD1-CD2 4.17Å; L18-L28 HydrophobicContact CD1-CG 4.44Å; L18-L71 VanDerWaalsContact C-CD2 3.49Å; L18-V246 HydrophobicContact CD2-CG2 4.11Å; L18-F347 HydrophobicContact CB-CD1 4.47Å; L18-F347 HydrophobicContact CB-CE1 3.86Å; L18-F347 HydrophobicContact CD1-CE1 4.28Å; L18-F347 HydrophobicContact CD1-CZ 4.24Å; L18-L350 HydrophobicContact CD2-CD2 3.69Å; L18-L357 HydrophobicContact CD1-CD1 3.61Å; L18-L357 HydrophobicContact CD2-CD1 4.23Å; L18-L357 HydrophobicContact CD2-CD2 4.17Å
19P97.2Very high96Very high2 Ų219.4 Ų19.41%0.01311%0.113CC..THydrogen-bonded Turntrans-47.6144.7178.2-33.236.8000115L38 A69 F70 E243 F347P19-L38 HydrophobicContact CB-CB 4.31Å; P19-A69 HydrophobicContact CB-CB 4.07Å; P19-A69 HydrophobicContact CG-CB 3.73Å; P19-F70 WeakPolarHBondContact CA-O 3.34Å; P19-F70 VanDerWaalsContact CB-O 3.25Å; P19-F70 WeakPolarHBondContact CB-O 3.33Å; P19-E243 VanDerWaalsContact CD-O 3.25Å; P19-E243 WeakPolarHBondContact CD-O 3.46Å; P19-F347 HydrophobicContact CB-CD1 4.41Å; P19-F347 HydrophobicContact CG-CD1 4.31Å
20G93.1Very high95.9Very high48 Ų4822.6 Ų22.650%0.49513%0.127SC..THydrogen-bonded Turntrans79.934179.500000113.3I22 D72G20-I22 VanDerWaalsContact C-N 3.26Å; G20-I22 PolarHBondContact O-N 2.86Å; G20-D72 WeakPolarHBondContact CA-OD1 3.41Å; G20-D72 PolarHBondContact N-OD1 2.92Å
21G91.3Very high95.9Very high34 Ų3422.7 Ų22.735%0.35113%0.128SC..THydrogen-bonded Turntrans6622.4178.400000114.7D23 R27 D72G21-D23 PolarHBondContact O-N 3.46Å; G21-R27 PolarHBondContact O-NH1 3.1Å; G21-D72 WeakPolarHBondContact CA-OD2 3.49Å; G21-D72 VanDerWaalsContact N-CG 3.27Å; G21-D72 PolarHBondContact N-OD1 3.37Å; G21-D72 PolarHBondContact N-OD2 3.43Å
22I96.4Very high95.9Very high8 Ų822.7 Ų22.74%0.04113%0.128CC..BIsolated β-bridgetrans-83.2100.3-176.9-65.3175.7000109.3R17 L18 G20 R27 L28 A31 L38 F347R17-I22 WeakPolarHBondContact CA-O 3.38Å; L18-I22 HydrophobicContact CB-CB 3.98Å; L18-I22 HydrophobicContact CB-CG2 4.07Å; L18-I22 HydrophobicContact CD1-CG2 4.08Å; L18-I22 PolarHBondContact N-O 3.02Å; L18-I22 PolarHBondContact O-N 3.06Å; L18-I22 VanDerWaalsContact O-N 3.15Å; G20-I22 VanDerWaalsContact C-N 3.26Å; G20-I22 PolarHBondContact O-N 2.86Å; I22-R27 HydrophobicContact CG2-CB 4.17Å; I22-L28 HydrophobicContact CG2-CB 3.94Å; I22-A31 HydrophobicContact CD1-CB 3.61Å; I22-L38 HydrophobicContact CD1-CD1 3.75Å; I22-F347 HydrophobicContact CD1-CE1 4.1Å; I22-F347 HydrophobicContact CD1-CZ 3.94Å
23D93.6Very high95.9Very high34 Ų3425.6 Ų25.618%0.18214%0.144CC..  trans-110.815.8-176.462.1-5.7000113.4C16 G21 R27 R467C16-D23 CarbonylContact O-C 3.43Å; C16-D23 WeakPolarHBondContact O-CA 3.39Å; G21-D23 PolarHBondContact O-N 3.46Å; D23-R27 WeakPolarHBondContact OD1-CD 3.16Å; D23-R27 IonicContact OD1-CZ 3.2Å; D23-R27 IonicContact OD1-NE 2.74Å; D23-R27 IonicContact OD1-NH1 2.91Å; D23-R27 PolarHBondContact OD1-NH1 3.36Å; D23-R27 IonicContact OD2-NH1 3.77Å; D23-R27 PolarHBondContact OD2-NH1 2.97Å; D23-R27 VanDerWaalsContact OD2-NH1 3.13Å; D23-R467 IonicContact OD2-CZ 3.66Å; D23-R467 IonicContact OD2-NH1 3.24Å; D23-R467 PolarHBondContact OD2-NH1 3Å; D23-R467 IonicContact OD2-NH2 2.75Å; D23-R467 PolarHBondContact OD2-NH2 3.03Å
24S94Very high95.9Very high32 Ų3232.8 Ų32.822%0.22417%0.171CC..SBendtrans-161.1155.1178.956.30000113.7Q26 R27 L28S24-Q26 PolarHBondContact O-N 2.82Å; S24-R27 PolarHBondContact O-N 2.71Å; S24-R27 PolarHBondContact OG-N 2.79Å; S24-L28 PolarHBondContact O-N 3.02Å
25P95.2Very high95.8Very high7 Ų733.7 Ų33.75%0.04518%0.18CC..Hα-helixtrans-62.2-26.4175.6-19.830.9000113.7M14 W29 M360 L364M14-P25 HydrophobicContact CE-CB 3.75Å; M14-P25 HydrophobicContact CE-CG 4.15Å; M14-P25 HydrophobicContact CG-CB 4.42Å; M14-P25 HydrophobicContact CG-CG 3.82Å; M14-P25 WeakPolarHBondContact O-CG 3.49Å; P25-W29 WeakPolarHBondContact O-CB 3.3Å; P25-W29 PolarHBondContact O-N 3.31Å; P25-M360 HydrophobicContact CB-CE 4.42Å; P25-M360 HydrophobicContact CB-CG 4.48Å; P25-M360 HydrophobicContact CB-SD 4.04Å; P25-M360 HydrophobicContact CG-CE 3.91Å; P25-M360 HydrophobicContact CG-SD 4.11Å; P25-L364 HydrophobicContact CB-CD1 4.47Å; P25-L364 HydrophobicContact CB-CD2 4.21Å; P25-L364 WeakPolarHBondContact O-CD1 3.41Å
26Q91.2Very high95.8Very high84 Ų8435.7 Ų35.739%0.39319%0.19SC..Hα-helixtrans-69.6-47.1175.4177.658.430.100111.3S24 L28 W29 E30S24-Q26 PolarHBondContact O-N 2.82Å; Q26-L28 VanDerWaalsContact C-N 3.33Å; Q26-L28 PolarHBondContact O-N 3.3Å; Q26-W29 WeakPolarHBondContact O-CB 3.48Å; Q26-W29 PolarHBondContact O-N 3.38Å; Q26-W29 VanDerWaalsContact O-N 3.14Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.15Å; Q26-E30 PolarHBondContact NE2-OE1 3.15Å; Q26-E30 WeakPolarHBondContact O-CG 3.09Å; Q26-E30 PolarHBondContact O-N 2.75Å
27R93.7Very high95.7Very high105 Ų10538.6 Ų38.640%0.39621%0.206SC..Hα-helixtrans-64.2-37175-79.9170.7149.6-165.3-12.4112.5G21 I22 D23 S24 E30 A31G21-R27 PolarHBondContact O-NH1 3.1Å; I22-R27 HydrophobicContact CG2-CB 4.17Å; D23-R27 WeakPolarHBondContact OD1-CD 3.16Å; D23-R27 IonicContact OD1-CZ 3.2Å; D23-R27 IonicContact OD1-NE 2.74Å; D23-R27 IonicContact OD1-NH1 2.91Å; D23-R27 PolarHBondContact OD1-NH1 3.36Å; D23-R27 IonicContact OD2-NH1 3.77Å; D23-R27 PolarHBondContact OD2-NH1 2.97Å; D23-R27 VanDerWaalsContact OD2-NH1 3.13Å; S24-R27 PolarHBondContact O-N 2.71Å; S24-R27 PolarHBondContact OG-N 2.79Å; R27-E30 PolarHBondContact O-N 2.6Å; R27-A31 WeakPolarHBondContact O-CB 3.44Å; R27-A31 PolarHBondContact O-N 3.48Å
28L97.2Very high95.7Very high0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-58.5-46.7170.2172.562000111.3L18 I22 S24 Q26 E30 A31 L32 F347 L357 M360 L364L18-L28 HydrophobicContact CD1-CD1 3.96Å; L18-L28 HydrophobicContact CD1-CD2 4.17Å; L18-L28 HydrophobicContact CD1-CG 4.44Å; I22-L28 HydrophobicContact CG2-CB 3.94Å; S24-L28 PolarHBondContact O-N 3.02Å; Q26-L28 VanDerWaalsContact C-N 3.33Å; Q26-L28 PolarHBondContact O-N 3.3Å; L28-E30 PolarHBondContact O-N 3.43Å; L28-A31 PolarHBondContact O-N 3.11Å; L28-L32 HydrophobicContact CD1-CD1 3.82Å; L28-L32 HydrophobicContact CD1-CG 3.98Å; L28-L32 HydrophobicContact CG-CD1 3.85Å; L28-L32 HydrophobicContact CG-CG 4.44Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.12Å; L28-L32 PolarHBondContact O-N 3.3Å; L28-F347 HydrophobicContact CD1-CE2 3.52Å; L28-F347 HydrophobicContact CD1-CZ 3.49Å; L28-F347 VanDerWaalsContact CD1-CZ 3.49Å; L28-L357 HydrophobicContact CD1-CD1 4.16Å; L28-L357 HydrophobicContact CD2-CD1 3.66Å; L28-M360 HydrophobicContact CD2-CB 4.33Å; L28-M360 HydrophobicContact CD2-CG 3.74Å; L28-M360 HydrophobicContact CD2-SD 3.49Å; L28-M360 WeakPolarHBondContact CD2-SD 3.2Å; L28-L364 HydrophobicContact CB-CD1 4.47Å; L28-L364 HydrophobicContact CD2-CD1 3.91Å; L28-L364 HydrophobicContact CG-CD1 4.11Å
29W96.8Very high95.5Very high12 Ų1239.1 Ų39.15%0.04521%0.211CC..Hα-helixtrans-62.2-41.8179-175-119.8000112.7P25 Q26 L32 L33 L364 A365 H368 V370 P372P25-W29 WeakPolarHBondContact O-CB 3.3Å; P25-W29 PolarHBondContact O-N 3.31Å; Q26-W29 WeakPolarHBondContact O-CB 3.48Å; Q26-W29 PolarHBondContact O-N 3.38Å; Q26-W29 VanDerWaalsContact O-N 3.14Å; W29-L32 HydrophobicContact CE3-CD1 4.49Å; W29-L32 PolarHBondContact O-N 3.22Å; W29-L33 HydrophobicContact CD2-CD1 4.38Å; W29-L33 HydrophobicContact CD2-CG 4.3Å; W29-L33 HydrophobicContact CH2-CD2 4.21Å; W29-L33 HydrophobicContact CZ2-CD1 3.97Å; W29-L33 HydrophobicContact CZ2-CD2 3.84Å; W29-L33 HydrophobicContact CZ2-CG 3.97Å; W29-L33 VanDerWaalsContact NE1-CD1 3.35Å; W29-L33 WeakPolarHBondContact O-CB 3.45Å; W29-L33 WeakPolarHBondContact O-CG 3.39Å; W29-L33 PolarHBondContact O-N 3.44Å; W29-L364 HydrophobicContact CB-CD1 4.1Å; W29-L364 HydrophobicContact CB-CD2 4.26Å; W29-L364 HydrophobicContact CD2-CB 4.11Å; W29-L364 HydrophobicContact CE3-CB 3.51Å; W29-L364 HydrophobicContact CE3-CD1 4.44Å; W29-L364 HydrophobicContact CZ3-CB 4.03Å; W29-A365 HydrophobicContact CZ3-CB 4.45Å; W29-H368 AromaticContact CD1-CD2 3.75Å; W29-H368 AromaticContact CD1-NE2 3.65Å; W29-H368 AromaticContact CD2-CD2 3.75Å; W29-H368 AromaticContact CE2-CD2 3.37Å; W29-H368 AromaticContact CE2-CG 3.56Å; W29-H368 AromaticContact CG-CD2 3.99Å; W29-H368 HydrophobicContact CH2-CB 4.1Å; W29-H368 HydrophobicContact CZ2-CB 3.4Å; W29-H368 VanDerWaalsContact CZ2-CB 3.4Å; W29-H368 AromaticContact CZ2-CD2 3.84Å; W29-H368 AromaticContact CZ2-CG 3.71Å; W29-H368 AromaticContact NE1-CD2 3.34Å; W29-H368 PolarHBondContact NE1-CD2 3.2Å; W29-H368 VanDerWaalsContact NE1-CD2 3.34Å; W29-H368 AromaticContact NE1-CE1 3.81Å; W29-H368 AromaticContact NE1-CG 3.44Å; W29-H368 AromaticContact NE1-ND1 3.72Å; W29-H368 AromaticContact NE1-NE2 3.64Å; W29-V370 HydrophobicContact CH2-CB 4.09Å; W29-V370 WeakPolarHBondContact CH2-O 3.2Å; W29-V370 HydrophobicContact CZ2-CB 4.18Å; W29-P372 HydrophobicContact CE3-CG 4.44Å; W29-P372 HydrophobicContact CH2-CG 4.04Å; W29-P372 HydrophobicContact CZ3-CG 3.58Å
30E95.1Very high95.3Very high69 Ų6940.8 Ų40.832%0.32223%0.228SC..Hα-helixtrans-64.5-41.5176.6-70.2166.9-162.500112.6Q26 R27 L28 L33 R34Q26-E30 WeakPolarHBondContact CG-OE1 3.15Å; Q26-E30 PolarHBondContact NE2-OE1 3.15Å; Q26-E30 WeakPolarHBondContact O-CG 3.09Å; Q26-E30 PolarHBondContact O-N 2.75Å; R27-E30 PolarHBondContact O-N 2.6Å; L28-E30 PolarHBondContact O-N 3.43Å; E30-L33 PolarHBondContact O-N 3.26Å; E30-R34 WeakPolarHBondContact O-CG 3.32Å; E30-R34 PolarHBondContact O-N 3.2Å
31A97.3Very high95.3Very high3 Ų342.3 Ų42.33%0.02522%0.223CC..Hα-helixtrans-65.1-44.4176.100000112.3I22 R27 L28 L33 R34 G35 D36I22-A31 HydrophobicContact CD1-CB 3.61Å; R27-A31 WeakPolarHBondContact O-CB 3.44Å; R27-A31 PolarHBondContact O-N 3.48Å; L28-A31 PolarHBondContact O-N 3.11Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3Å; A31-R34 PolarHBondContact O-N 3.48Å; A31-G35 PolarHBondContact O-N 3.44Å; A31-G35 VanDerWaalsContact O-N 3.07Å; A31-D36 VanDerWaalsContact CA-OD2 3.31Å; A31-D36 WeakPolarHBondContact CA-OD2 3.44Å; A31-D36 HydrophobicContact CB-CB 4.18Å; A31-D36 WeakPolarHBondContact CB-OD2 3.22Å; A31-D36 PolarHBondContact O-N 2.97Å
32L98Very high95.4Very high0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-60.6-38.7174.3-71.9169.5000112.2L28 W29 G35 V343 K361 P372L28-L32 HydrophobicContact CD1-CD1 3.82Å; L28-L32 HydrophobicContact CD1-CG 3.98Å; L28-L32 HydrophobicContact CG-CD1 3.85Å; L28-L32 HydrophobicContact CG-CG 4.44Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.12Å; L28-L32 PolarHBondContact O-N 3.3Å; W29-L32 HydrophobicContact CE3-CD1 4.49Å; W29-L32 PolarHBondContact O-N 3.22Å; L32-G35 PolarHBondContact O-N 3.36Å; L32-V343 HydrophobicContact CD2-CG2 4.42Å; L32-K361 HydrophobicContact CD1-CB 4.17Å; L32-K361 HydrophobicContact CD1-CD 4.4Å; L32-K361 HydrophobicContact CD1-CG 3.93Å; L32-K361 HydrophobicContact CD2-CD 4.32Å; L32-P372 HydrophobicContact CB-CB 4.08Å; L32-P372 HydrophobicContact CB-CG 4Å
33L97.2Very high95Very high62 Ų6242.9 Ų42.933%0.32522%0.22SC..Hα-helixtrans-73.7-28176.7-76.5-177.3000113.8W29 E30 A31 G35 V370 N397W29-L33 HydrophobicContact CD2-CD1 4.38Å; W29-L33 HydrophobicContact CD2-CG 4.3Å; W29-L33 HydrophobicContact CH2-CD2 4.21Å; W29-L33 HydrophobicContact CZ2-CD1 3.97Å; W29-L33 HydrophobicContact CZ2-CD2 3.84Å; W29-L33 HydrophobicContact CZ2-CG 3.97Å; W29-L33 VanDerWaalsContact NE1-CD1 3.35Å; W29-L33 WeakPolarHBondContact O-CB 3.45Å; W29-L33 WeakPolarHBondContact O-CG 3.39Å; W29-L33 PolarHBondContact O-N 3.44Å; E30-L33 PolarHBondContact O-N 3.26Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3Å; L33-G35 VanDerWaalsContact C-N 3.27Å; L33-V370 HydrophobicContact CD2-CG1 4.14Å; L33-N397 HydrophobicContact CD2-CB 4.39Å; L33-N397 PolarHBondContact O-ND2 2.99Å
34R96.7Very high94.4Very high151 Ų15145.8 Ų45.857%0.5725%0.248SC*.Hα-helixtrans-72.7-23.3169.7-73.2-173.9-61.3-97.32.4112.6E30 A31 D36E30-R34 WeakPolarHBondContact O-CG 3.32Å; E30-R34 PolarHBondContact O-N 3.2Å; A31-R34 PolarHBondContact O-N 3.48Å; R34-D36 WeakPolarHBondContact CB-OD1 3.19Å; R34-D36 IonicContact CZ-OD2 3.18Å; R34-D36 IonicContact NE-OD1 3Å; R34-D36 PolarHBondContact NE-OD1 3.31Å; R34-D36 IonicContact NE-OD2 2.74Å; R34-D36 PolarHBondContact NE-OD2 3.01Å; R34-D36 IonicContact NH2-OD2 3.96Å; R34-D36 PolarHBondContact NH2-OD2 3.15Å
35G95.7Very high93.7Very high19 Ų1949.8 Ų49.820%0.19627%0.267CS..THydrogen-bonded Turntrans76.434.8-169.200000111.8A31 L32 L33 L375A31-G35 PolarHBondContact O-N 3.44Å; A31-G35 VanDerWaalsContact O-N 3.07Å; L32-G35 PolarHBondContact O-N 3.36Å; L33-G35 VanDerWaalsContact C-N 3.27Å; G35-L375 WeakPolarHBondContact O-CD1 3.46Å
36D97.6Very high93.2Very high44 Ų4450.3 Ų50.324%0.23527%0.268CS..  trans-63.1136.1-179.3-66.9-14.6000110.9A31 R34 L38 N346A31-D36 VanDerWaalsContact CA-OD2 3.31Å; A31-D36 WeakPolarHBondContact CA-OD2 3.44Å; A31-D36 HydrophobicContact CB-CB 4.18Å; A31-D36 WeakPolarHBondContact CB-OD2 3.22Å; A31-D36 PolarHBondContact O-N 2.97Å; R34-D36 WeakPolarHBondContact CB-OD1 3.19Å; R34-D36 IonicContact CZ-OD2 3.18Å; R34-D36 IonicContact NE-OD1 3Å; R34-D36 PolarHBondContact NE-OD1 3.31Å; R34-D36 IonicContact NE-OD2 2.74Å; R34-D36 PolarHBondContact NE-OD2 3.01Å; R34-D36 IonicContact NH2-OD2 3.96Å; R34-D36 PolarHBondContact NH2-OD2 3.15Å; D36-L38 HydrophobicContact CB-CD2 4.36Å; D36-L38 HydrophobicContact CB-CG 4.28Å; D36-N346 PolarHBondContact O-ND2 2.89Å
37D96.4Very high93Very high61 Ų6147.5 Ų47.533%0.32625%0.254SS..  trans-110.1110.5174.7170.42.6000107.3V39 R228 L375 H376D37-V39 PolarHBondContact OD1-N 3.03Å; D37-R228 VanDerWaalsContact CG-NE 3.34Å; D37-R228 IonicContact OD1-CZ 3.22Å; D37-R228 VanDerWaalsContact OD1-CZ 3.28Å; D37-R228 IonicContact OD1-NE 3.38Å; D37-R228 PolarHBondContact OD1-NE 2.97Å; D37-R228 IonicContact OD1-NH2 3.67Å; D37-R228 PolarHBondContact OD1-NH2 3.21Å; D37-R228 IonicContact OD2-CZ 3.79Å; D37-R228 IonicContact OD2-NE 3.54Å; D37-R228 PolarHBondContact OD2-NE 2.94Å; D37-R228 IonicContact OD2-NH2 2.72Å; D37-R228 PolarHBondContact OD2-NH2 2.74Å; D37-L375 HydrophobicContact CB-CD1 3.94Å; D37-H376 IonicContact OD2-CE1 4Å; D37-H376 PolarHBondContact OD2-CE1 3.38Å; D37-H376 IonicContact OD2-NE2 2.84Å
38L96.7Very high92.4Very high39 Ų3946.4 Ų46.420%0.20426%0.256CS..  trans-10617.5-166.3-63165.3000112.2P19 I22 D36 A69 N346 F347P19-L38 HydrophobicContact CB-CB 4.31Å; I22-L38 HydrophobicContact CD1-CD1 3.75Å; D36-L38 HydrophobicContact CB-CD2 4.36Å; D36-L38 HydrophobicContact CB-CG 4.28Å; L38-A69 WeakPolarHBondContact O-CA 3.41Å; L38-A69 VanDerWaalsContact O-CB 3.27Å; L38-A69 WeakPolarHBondContact O-CB 3.46Å; L38-N346 PolarHBondContact N-O 3.14Å; L38-F347 HydrophobicContact CB-CD1 4.41Å; L38-F347 HydrophobicContact CD1-CD1 3.83Å; L38-F347 HydrophobicContact CD1-CE1 3.26Å; L38-F347 HydrophobicContact CD1-CE2 4.32Å; L38-F347 HydrophobicContact CD1-CZ 3.55Å
39V95.8Very high91.6Very high8 Ų846.7 Ų46.75%0.04826%0.258CS..  trans-93.9104.2178.1-176.90000110.2D37 W67 A69 G227 R228 V240D37-V39 PolarHBondContact OD1-N 3.03Å; V39-W67 HydrophobicContact CG1-CB 4.24Å; V39-A69 HydrophobicContact CG2-CB 4.19Å; V39-G227 WeakPolarHBondContact CG1-O 3.22Å; V39-R228 PolarHBondContact O-NH1 3.46Å; V39-R228 VanDerWaalsContact O-NH1 3.09Å; V39-R228 PolarHBondContact O-NH2 3.26Å; V39-V240 HydrophobicContact CB-CG1 4.48Å; V39-V240 HydrophobicContact CG1-CB 4.36Å; V39-V240 HydrophobicContact CG1-CG1 3.82Å; V39-V240 HydrophobicContact CG1-CG2 3.68Å; V39-V240 HydrophobicContact CG2-CG1 3.86Å
40G93Very high90.8Very high36 Ų3651 Ų5137%0.37128%0.282SS..EExtended strand (participates in β ladder)trans-99.2-171.1178.300000113.9W67 G68G40-W67 CarbonylContact O-C 3.59Å; G40-W67 VanDerWaalsContact O-CA 3.23Å; G40-W67 WeakPolarHBondContact O-CA 3.35Å; G40-G68 PolarHBondContact N-O 3.27Å; G40-G68 PolarHBondContact O-N 3.43Å; G40-G68 VanDerWaalsContact O-O 3.12Å
41E92.2Very high89.9Confident80 Ų8051.2 Ų51.237%0.37429%0.288SS..EExtended strand (participates in β ladder)trans-78.4152.1165.8-176.3153.4-160.100109.8P43 R66 W67E41-P43 WeakPolarHBondContact O-CD 3.32Å; E41-R66 WeakPolarHBondContact OE1-CD 3.36Å; E41-R66 IonicContact OE1-CZ 2.95Å; E41-R66 IonicContact OE1-NE 3.18Å; E41-R66 IonicContact OE1-NH1 3.99Å; E41-R66 PolarHBondContact OE1-NH1 3.12Å; E41-R66 IonicContact OE2-CZ 3.24Å; E41-R66 IonicContact OE2-NH1 2.87Å; E41-R66 PolarHBondContact OE2-NH1 2.9Å; E41-W67 HydrophobicContact CB-CE3 3.95Å; E41-W67 HydrophobicContact CB-CZ3 3.81Å
42I92.8Very high89.2Confident19 Ų1954.7 Ų54.710%0.09730%0.301CS..PPolyproline II helixtrans-56.7125-179.2-65.7153000110.8R46 W47 A49 R66 F70I42-R46 HydrophobicContact CG2-CB 4.29Å; I42-W47 HydrophobicContact CD1-CZ2 3.89Å; I42-W47 HydrophobicContact CG1-CZ2 4.17Å; I42-W47 HydrophobicContact CG2-CD2 4.09Å; I42-W47 HydrophobicContact CG2-CG 4.42Å; I42-W47 HydrophobicContact CG2-CH2 4.49Å; I42-W47 HydrophobicContact CG2-CZ2 3.91Å; I42-A49 HydrophobicContact CB-CB 4.25Å; I42-A49 HydrophobicContact CD1-CB 4.17Å; I42-R66 HydrophobicContact CD1-CB 4.44Å; I42-R66 WeakPolarHBondContact CG1-O 3.42Å; I42-R66 PolarHBondContact N-O 3.02Å; I42-F70 HydrophobicContact CB-CE2 4.35Å; I42-F70 HydrophobicContact CB-CZ 4.29Å; I42-F70 HydrophobicContact CG1-CE2 3.98Å; I42-F70 HydrophobicContact CG1-CZ 3.77Å; I42-F70 HydrophobicContact CG2-CZ 4.33Å
43P89.6Confident88.6Confident36 Ų3657.6 Ų57.623%0.23431%0.313CS..PPolyproline II helixtrans-62.1140.2177.5-25.134.6000113.4E41 D45 R46 W47 F70E41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-D45 WeakPolarHBondContact CB-OD1 3.43Å; P43-D45 PolarHBondContact O-N 3.34Å; P43-R46 HydrophobicContact CB-CG 4.18Å; P43-R46 HydrophobicContact CG-CG 4.43Å; P43-R46 WeakPolarHBondContact O-CB 3.46Å; P43-R46 PolarHBondContact O-N 3.02Å; P43-W47 PolarHBondContact O-N 3.01Å; P43-F70 VanDerWaalsContact CD-CG 3.45Å; P43-F70 HydrophobicContact CG-CB 3.76Å; P43-F70 HydrophobicContact CG-CD1 4.41Å; P43-F70 HydrophobicContact CG-CD2 4Å; P43-F70 HydrophobicContact CG-CG 3.8Å
44A81.2Confident88Confident94 Ų9456.8 Ų56.878%0.77731%0.309SS*.THydrogen-bonded Turntrans-67-20.1-174.600000114.1R46A44-R46 VanDerWaalsContact C-N 3.33Å
45D78.7Confident87.3Confident116 Ų11654 Ų5462%0.6231%0.31SS*.THydrogen-bonded Turntrans-79.8-11.617366-62.9000113.3P43P43-D45 WeakPolarHBondContact CB-OD1 3.43Å; P43-D45 PolarHBondContact O-N 3.34Å
46R84.5Confident86.5Confident19 Ų1959.6 Ų59.67%0.07233%0.331CS..THydrogen-bonded Turntrans-85.2-63.4169-58-63.6-164.8-75.3-10.3110.5I42 P43 A44 F70 L71 V74 E243I42-R46 HydrophobicContact CG2-CB 4.29Å; P43-R46 HydrophobicContact CB-CG 4.18Å; P43-R46 HydrophobicContact CG-CG 4.43Å; P43-R46 WeakPolarHBondContact O-CB 3.46Å; P43-R46 PolarHBondContact O-N 3.02Å; A44-R46 VanDerWaalsContact C-N 3.33Å; R46-F70 HydrophobicContact CG-CD1 4.26Å; R46-F70 HydrophobicContact CG-CE1 4.48Å; R46-L71 PolarHBondContact NH2-O 3.25Å; R46-V74 VanDerWaalsContact NH2-CG1 3.29Å; R46-E243 IonicContact CZ-OE2 3.9Å; R46-E243 IonicContact NE-OE1 2.87Å; R46-E243 PolarHBondContact NE-OE1 3.07Å; R46-E243 IonicContact NE-OE2 3.61Å; R46-E243 IonicContact NH2-OE1 3.88Å; R46-E243 IonicContact NH2-OE2 2.75Å; R46-E243 PolarHBondContact NH2-OE2 2.65Å
47W85.9Confident85.6Confident24 Ų2462.1 Ų62.19%0.09135%0.35CS..  trans-168.3158.7170.961.484.5000110.8I42 P43 A49 Y52 T208 P211I42-W47 HydrophobicContact CD1-CZ2 3.89Å; I42-W47 HydrophobicContact CG1-CZ2 4.17Å; I42-W47 HydrophobicContact CG2-CD2 4.09Å; I42-W47 HydrophobicContact CG2-CG 4.42Å; I42-W47 HydrophobicContact CG2-CH2 4.49Å; I42-W47 HydrophobicContact CG2-CZ2 3.91Å; P43-W47 PolarHBondContact O-N 3.01Å; W47-A49 PolarHBondContact O-N 3Å; W47-A49 VanDerWaalsContact O-N 3.13Å; W47-Y52 AromaticContact CD1-CD2 3.69Å; W47-Y52 HydrophobicContact CG-CD2 4.41Å; W47-T208 HydrophobicContact CH2-CG2 3.84Å; W47-T208 HydrophobicContact CZ3-CG2 4.2Å; W47-P211 HydrophobicContact CB-CG 4.49Å; W47-P211 HydrophobicContact CD2-CB 3.88Å; W47-P211 HydrophobicContact CD2-CG 4.06Å; W47-P211 HydrophobicContact CG-CB 4.08Å; W47-P211 HydrophobicContact CG-CG 4.02Å; W47-P211 HydrophobicContact CZ2-CB 4.25Å
48D81.8Confident84.5Confident82 Ų8261.4 Ų61.444%0.43936%0.357SS..  trans-67.9111.1171.6178.56.8000110.7N50 V51D48-N50 PolarHBondContact O-N 2.92Å; D48-N50 WeakPolarHBondContact OD1-CB 3.45Å; D48-N50 PolarHBondContact OD1-N 3.03Å; D48-N50 PolarHBondContact OD1-ND2 2.95Å; D48-V51 HydrophobicContact CB-CG2 3.99Å; D48-V51 PolarHBondContact O-N 3.04Å
49A81.2Confident83.5Confident6 Ų661.4 Ų61.45%0.0536%0.358CS..Hα-helixtrans-52.7-36.9176.700000112.9I42 W47 V51 Y52 Y53 R66I42-A49 HydrophobicContact CB-CB 4.25Å; I42-A49 HydrophobicContact CD1-CB 4.17Å; W47-A49 PolarHBondContact O-N 3Å; W47-A49 VanDerWaalsContact O-N 3.13Å; A49-V51 VanDerWaalsContact C-N 3.27Å; A49-V51 PolarHBondContact O-N 3.18Å; A49-Y52 CarbonylContact O-C 3.57Å; A49-Y52 PolarHBondContact O-N 3.19Å; A49-Y52 VanDerWaalsContact O-N 3.11Å; A49-Y53 WeakPolarHBondContact O-CB 3.33Å; A49-Y53 PolarHBondContact O-N 2.91Å; A49-R66 HydrophobicContact CB-CB 4.17Å
50N78.9Confident82.6Confident103 Ų10366.5 Ų66.555%0.55139%0.392SS*.Hα-helixtrans-70.7-21.9-174-56.3-82.7000113.1D48 Y52 R62D48-N50 PolarHBondContact O-N 2.92Å; D48-N50 WeakPolarHBondContact OD1-CB 3.45Å; D48-N50 PolarHBondContact OD1-N 3.03Å; D48-N50 PolarHBondContact OD1-ND2 2.95Å; N50-Y52 VanDerWaalsContact C-N 3.3Å; N50-R62 PolarHBondContact O-NH1 3.48Å
51V76.1Confident82Confident73 Ų7366.9 Ų66.944%0.44240%0.396SS..Hα-helixtrans-71-28.3173.9175.60000111.5D48 A49 R62D48-V51 HydrophobicContact CB-CG2 3.99Å; D48-V51 PolarHBondContact O-N 3.04Å; A49-V51 VanDerWaalsContact C-N 3.27Å; A49-V51 PolarHBondContact O-N 3.18Å; V51-R62 PolarHBondContact O-NE 3.24Å; V51-R62 PolarHBondContact O-NH1 3.38Å; V51-R62 PolarHBondContact O-NH2 2.68Å; V51-R62 VanDerWaalsContact O-NH2 3.11Å
52Y82.2Confident81.7Confident76 Ų7666.9 Ų66.930%0.29839%0.392SS..Hα-helixtrans-117.3-12.8-173.7-60.6-82.3000114.5W47 A49 N50 R62 S63 P211 V215W47-Y52 AromaticContact CD1-CD2 3.69Å; W47-Y52 HydrophobicContact CG-CD2 4.41Å; A49-Y52 CarbonylContact O-C 3.57Å; A49-Y52 PolarHBondContact O-N 3.19Å; A49-Y52 VanDerWaalsContact O-N 3.11Å; N50-Y52 VanDerWaalsContact C-N 3.3Å; Y52-R62 CarbonylContact O-C 3.57Å; Y52-R62 WeakPolarHBondContact O-CA 3.21Å; Y52-R62 WeakPolarHBondContact O-CD 2.9Å; Y52-S63 PolarHBondContact O-N 3.44Å; Y52-P211 HydrophobicContact CD1-CB 3.89Å; Y52-P211 HydrophobicContact CD1-CG 4.11Å; Y52-P211 HydrophobicContact CD2-CB 3.81Å; Y52-P211 HydrophobicContact CD2-CG 3.89Å; Y52-P211 HydrophobicContact CE1-CB 4.1Å; Y52-P211 HydrophobicContact CE1-CG 3.79Å; Y52-P211 HydrophobicContact CE2-CB 4.04Å; Y52-P211 HydrophobicContact CE2-CG 3.56Å; Y52-P211 HydrophobicContact CG-CB 3.73Å; Y52-P211 HydrophobicContact CG-CG 4.15Å; Y52-V215 HydrophobicContact CD1-CG2 4.37Å
53Y87Confident81.6Confident62 Ų6266.2 Ų66.224%0.24339%0.389CS..BIsolated β-bridgetrans-81.1137.7179.1176.6-113.2000112.4A49 R62 S63 V64 R66A49-Y53 WeakPolarHBondContact O-CB 3.33Å; A49-Y53 PolarHBondContact O-N 2.91Å; Y53-R62 PolarHBondContact O-NH1 2.73Å; Y53-S63 WeakPolarHBondContact CA-O 3.43Å; Y53-S63 WeakPolarHBondContact CD2-O 3.37Å; Y53-V64 WeakPolarHBondContact CE2-O 3.29Å; Y53-R66 HydrophobicContact CD2-CB 3.77Å; Y53-R66 HydrophobicContact CD2-CG 4.06Å; Y53-R66 HydrophobicContact CE2-CB 4.34Å; Y53-R66 HydrophobicContact CE2-CG 4.15Å; Y53-R66 HydrophobicContact CG-CB 4.02Å; Y53-R66 HydrophobicContact CG-CG 4.36Å
54D83.2Confident81.5Confident45 Ų4565 Ų6524%0.24138%0.381CS..  trans-148.6129163.4-164.2-50.8000109.1E56 V59 R62 S63 V64D54-E56 PolarHBondContact O-N 2.98Å; D54-E56 PolarHBondContact OD1-N 2.55Å; D54-V59 HydrophobicContact CB-CB 4.36Å; D54-R62 HydrophobicContact CB-CB 3.54Å; D54-R62 HydrophobicContact CB-CG 3.71Å; D54-S63 PolarHBondContact N-O 3.46Å; D54-V64 WeakPolarHBondContact O-CA 3.45Å
55P82Confident82Confident93 Ų9360.8 Ų60.860%0.60435%0.346SS*.SBendtrans-68.8-13.4179.129.1-36.6000114.5P57P55-P57 WeakPolarHBondContact O-CD 3.39Å
56E80.2Confident82.6Confident136 Ų13658.5 Ų58.564%0.63633%0.329SS*.SBendtrans-85.9117.8176.8-172.4169.9173.700111.8D54 G58 V59D54-E56 PolarHBondContact O-N 2.98Å; D54-E56 PolarHBondContact OD1-N 2.55Å; E56-G58 PolarHBondContact O-N 3.2Å; E56-V59 HydrophobicContact CB-CG2 3.91Å; E56-V59 HydrophobicContact CG-CG2 4.26Å; E56-V59 WeakPolarHBondContact O-CG2 3.33Å
57P77.7Confident83Confident96 Ų9661.2 Ų61.262%0.62334%0.339SS*.THydrogen-bonded Turntrans-65.1128.6178.9-20.933.3000112.7P55 V64P55-P57 WeakPolarHBondContact O-CD 3.39Å; P57-V64 HydrophobicContact CB-CG1 3.93Å; P57-V64 HydrophobicContact CG-CG1 4.02Å
58G73.8Confident83.5Confident47 Ų4760.1 Ų60.149%0.48534%0.335SS..THydrogen-bonded Turntrans104.8-4.7175.600000115.5E56 P60E56-G58 PolarHBondContact O-N 3.2Å; G58-P60 WeakPolarHBondContact O-CD 3.46Å
59V76.9Confident84.2Confident38 Ų3856.2 Ų56.223%0.2331%0.314CS..  trans-63.1121.2178.7177.80000110.7D54 E56 G61 R62D54-V59 HydrophobicContact CB-CB 4.36Å; E56-V59 HydrophobicContact CB-CG2 3.91Å; E56-V59 HydrophobicContact CG-CG2 4.26Å; E56-V59 WeakPolarHBondContact O-CG2 3.33Å; V59-G61 PolarHBondContact O-N 3.04Å; V59-R62 HydrophobicContact CB-CB 4.02Å; V59-R62 HydrophobicContact CB-CG 4.24Å; V59-R62 HydrophobicContact CG1-CB 3.97Å; V59-R62 HydrophobicContact CG1-CG 3.62Å; V59-R62 PolarHBondContact O-N 2.9Å; V59-R62 VanDerWaalsContact O-N 3.12Å
60P76.5Confident84.9Confident115 Ų11557.1 Ų57.175%0.74732%0.317SS*.THydrogen-bonded Turntrans-62.1132.7-176.4-25.735.6000113G58 R62G58-P60 WeakPolarHBondContact O-CD 3.46Å; P60-R62 VanDerWaalsContact C-N 3.27Å; P60-R62 PolarHBondContact O-N 3.23Å
61G79.3Confident85.7Confident44 Ų4452.5 Ų52.545%0.45429%0.292SS..THydrogen-bonded Turntrans79.43.8-177.300000114.6V59 V215V59-G61 PolarHBondContact O-N 3.04Å; G61-V215 WeakPolarHBondContact O-CG2 3.48Å
62R85.8Confident86.4Confident81 Ų8154.4 Ų54.431%0.30630%0.3SS..  trans-118.8161.3-177.9-63.1-69.7-177.3151.8-16.8113.7N50 V51 Y52 Y53 D54 V59 P60 V215N50-R62 PolarHBondContact O-NH1 3.48Å; V51-R62 PolarHBondContact O-NE 3.24Å; V51-R62 PolarHBondContact O-NH1 3.38Å; V51-R62 PolarHBondContact O-NH2 2.68Å; V51-R62 VanDerWaalsContact O-NH2 3.11Å; Y52-R62 CarbonylContact O-C 3.57Å; Y52-R62 WeakPolarHBondContact O-CA 3.21Å; Y52-R62 WeakPolarHBondContact O-CD 2.9Å; Y53-R62 PolarHBondContact O-NH1 2.73Å; D54-R62 HydrophobicContact CB-CB 3.54Å; D54-R62 HydrophobicContact CB-CG 3.71Å; V59-R62 HydrophobicContact CB-CB 4.02Å; V59-R62 HydrophobicContact CB-CG 4.24Å; V59-R62 HydrophobicContact CG1-CB 3.97Å; V59-R62 HydrophobicContact CG1-CG 3.62Å; V59-R62 PolarHBondContact O-N 2.9Å; V59-R62 VanDerWaalsContact O-N 3.12Å; P60-R62 VanDerWaalsContact C-N 3.27Å; P60-R62 PolarHBondContact O-N 3.23Å; R62-V215 WeakPolarHBondContact O-CA 3.37Å
63S91.1Very high86.7Confident5 Ų554 Ų544%0.03530%0.303CS..BIsolated β-bridgetrans-123134.2-177.4175.20000109.8Y52 Y53 D54 S65 S218Y52-S63 PolarHBondContact O-N 3.44Å; Y53-S63 WeakPolarHBondContact CA-O 3.43Å; Y53-S63 WeakPolarHBondContact CD2-O 3.37Å; D54-S63 PolarHBondContact N-O 3.46Å; S63-S65 PolarHBondContact O-N 2.97Å; S63-S65 PolarHBondContact OG-N 2.71Å; S63-S65 PolarHBondContact OG-O 3.17Å; S63-S218 VanDerWaalsContact CA-OG 3.3Å; S63-S218 WeakPolarHBondContact CA-OG 3.31Å; S63-S218 PolarHBondContact OG-OG 3.2Å
64V88.2Confident86.9Confident9 Ų951.5 Ų51.56%0.05529%0.294CS..SBendtrans-74.8-8.2177.8-600000113.1Y53 D54 P57 S218 P225Y53-V64 WeakPolarHBondContact CE2-O 3.29Å; D54-V64 WeakPolarHBondContact O-CA 3.45Å; P57-V64 HydrophobicContact CB-CG1 3.93Å; P57-V64 HydrophobicContact CG-CG1 4.02Å; V64-S218 PolarHBondContact N-OG 3.16Å; V64-P225 HydrophobicContact CB-CG 4.37Å; V64-P225 HydrophobicContact CG2-CB 4.49Å; V64-P225 HydrophobicContact CG2-CG 4.02Å
65S90.2Very high87.2Confident7 Ų749.4 Ų49.45%0.04928%0.283CS..  trans-125.4140.9179.4-155.80000111S63 S224S63-S65 PolarHBondContact O-N 2.97Å; S63-S65 PolarHBondContact OG-N 2.71Å; S63-S65 PolarHBondContact OG-O 3.17Å; S65-S224 WeakPolarHBondContact CB-O 3.27Å; S65-S224 PolarHBondContact OG-O 2.82Å; S65-S224 VanDerWaalsContact OG-O 3.05Å
66R91.7Very high87.7Confident68 Ų6845.5 Ų45.526%0.25726%0.259SS..  trans-116.817172.562.2-175.4177.3120.22.9112.3E41 I42 A49 Y53E41-R66 WeakPolarHBondContact OE1-CD 3.36Å; E41-R66 IonicContact OE1-CZ 2.95Å; E41-R66 IonicContact OE1-NE 3.18Å; E41-R66 IonicContact OE1-NH1 3.99Å; E41-R66 PolarHBondContact OE1-NH1 3.12Å; E41-R66 IonicContact OE2-CZ 3.24Å; E41-R66 IonicContact OE2-NH1 2.87Å; E41-R66 PolarHBondContact OE2-NH1 2.9Å; I42-R66 HydrophobicContact CD1-CB 4.44Å; I42-R66 WeakPolarHBondContact CG1-O 3.42Å; I42-R66 PolarHBondContact N-O 3.02Å; A49-R66 HydrophobicContact CB-CB 4.17Å; Y53-R66 HydrophobicContact CD2-CB 3.77Å; Y53-R66 HydrophobicContact CD2-CG 4.06Å; Y53-R66 HydrophobicContact CE2-CB 4.34Å; Y53-R66 HydrophobicContact CE2-CG 4.15Å; Y53-R66 HydrophobicContact CG-CB 4.02Å; Y53-R66 HydrophobicContact CG-CG 4.36Å
67W94.2Very high88.5Confident76 Ų7639 Ų3929%0.28823%0.229SC..EExtended strand (participates in β ladder)trans-116.7151.7-169-48.9107.9000111.5V39 G40 E41 V240V39-W67 HydrophobicContact CG1-CB 4.24Å; G40-W67 CarbonylContact O-C 3.59Å; G40-W67 VanDerWaalsContact O-CA 3.23Å; G40-W67 WeakPolarHBondContact O-CA 3.35Å; E41-W67 HydrophobicContact CB-CE3 3.95Å; E41-W67 HydrophobicContact CB-CZ3 3.81Å; W67-V240 HydrophobicContact CB-CG2 3.99Å; W67-V240 VanDerWaalsContact O-CG2 3.29Å; W67-V240 WeakPolarHBondContact O-CG2 3.37Å
68G94.6Very high89.2Confident0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-178.5162.6176.100000112.2G40 F70 S241G40-G68 PolarHBondContact N-O 3.27Å; G40-G68 PolarHBondContact O-N 3.43Å; G40-G68 VanDerWaalsContact O-O 3.12Å; G68-F70 VanDerWaalsContact C-CE2 3.44Å; G68-F70 VanDerWaalsContact CA-CE2 3.41Å; G68-F70 VanDerWaalsContact O-CD2 3.3Å; G68-F70 WeakPolarHBondContact O-CD2 3.39Å; G68-F70 WeakPolarHBondContact O-CE2 3.48Å; G68-S241 WeakPolarHBondContact CA-O 3.37Å
69A96.7Very high89.9Confident0 Ų032.6 Ų32.60%018%0.178CC..EExtended strand (participates in β ladder)trans-96.9119.1170.400000109.4P19 L38 V39 S241 G242 E243 F347P19-A69 HydrophobicContact CB-CB 4.07Å; P19-A69 HydrophobicContact CG-CB 3.73Å; L38-A69 WeakPolarHBondContact O-CA 3.41Å; L38-A69 VanDerWaalsContact O-CB 3.27Å; L38-A69 WeakPolarHBondContact O-CB 3.46Å; V39-A69 HydrophobicContact CG2-CB 4.19Å; A69-S241 PolarHBondContact N-O 2.91Å; A69-G242 CarbonylContact O-C 3.52Å; A69-G242 VanDerWaalsContact O-CA 3.23Å; A69-G242 WeakPolarHBondContact O-CA 3.33Å; A69-E243 PolarHBondContact O-N 2.86Å; A69-F347 WeakPolarHBondContact CB-O 3.48Å
70F96.5Very high90.3Very high26 Ų2632.9 Ų32.911%0.11418%0.179CC..  trans-118.6150-172-64.9-90.5000111.3P19 I42 P43 R46 G68 E243P19-F70 WeakPolarHBondContact CA-O 3.34Å; P19-F70 VanDerWaalsContact CB-O 3.25Å; P19-F70 WeakPolarHBondContact CB-O 3.33Å; I42-F70 HydrophobicContact CB-CE2 4.35Å; I42-F70 HydrophobicContact CB-CZ 4.29Å; I42-F70 HydrophobicContact CG1-CE2 3.98Å; I42-F70 HydrophobicContact CG1-CZ 3.77Å; I42-F70 HydrophobicContact CG2-CZ 4.33Å; P43-F70 VanDerWaalsContact CD-CG 3.45Å; P43-F70 HydrophobicContact CG-CB 3.76Å; P43-F70 HydrophobicContact CG-CD1 4.41Å; P43-F70 HydrophobicContact CG-CD2 4Å; P43-F70 HydrophobicContact CG-CG 3.8Å; R46-F70 HydrophobicContact CG-CD1 4.26Å; R46-F70 HydrophobicContact CG-CE1 4.48Å; G68-F70 VanDerWaalsContact C-CE2 3.44Å; G68-F70 VanDerWaalsContact CA-CE2 3.41Å; G68-F70 VanDerWaalsContact O-CD2 3.3Å; G68-F70 WeakPolarHBondContact O-CD2 3.39Å; G68-F70 WeakPolarHBondContact O-CE2 3.48Å; F70-E243 WeakPolarHBondContact CA-OE2 3.4Å; F70-E243 HydrophobicContact CD1-CG 4.02Å
71L96.4Very high90.7Very high6 Ų629.9 Ų29.93%0.03115%0.154CC..  trans-73.7132.1172-69.4172.1000110.1R17 L18 R46 D73 V74 L98 V207 E243R17-L71 HydrophobicContact CG-CD2 4.45Å; L18-L71 VanDerWaalsContact C-CD2 3.49Å; R46-L71 PolarHBondContact NH2-O 3.25Å; L71-D73 PolarHBondContact O-N 3.43Å; L71-V74 HydrophobicContact CB-CG1 3.78Å; L71-V74 HydrophobicContact CD1-CG1 4.14Å; L71-L98 HydrophobicContact CD1-CD1 3.69Å; L71-V207 HydrophobicContact CD1-CG2 4.27Å; L71-E243 HydrophobicContact CD1-CB 4.25Å; L71-E243 HydrophobicContact CG-CB 3.89Å; L71-E243 PolarHBondContact N-OE2 2.78Å
72D89.4Confident91.2Very high112 Ų11228.4 Ų28.460%0.59914%0.135SC*.SBendtrans-55.1-34.3-179.6-5537.3000112.5G20 G21G20-D72 WeakPolarHBondContact CA-OD1 3.41Å; G20-D72 PolarHBondContact N-OD1 2.92Å; G21-D72 WeakPolarHBondContact CA-OD2 3.49Å; G21-D72 VanDerWaalsContact N-CG 3.27Å; G21-D72 PolarHBondContact N-OD1 3.37Å; G21-D72 PolarHBondContact N-OD2 3.43Å
73D89.2Confident91.2Very high68 Ų6826 Ų2636%0.36414%0.135SC..  trans-140.1139.9169.4-168.9-0.5000110.3L71 G75 G76L71-D73 PolarHBondContact O-N 3.43Å; D73-G75 WeakPolarHBondContact OD1-CA 3.3Å; D73-G75 PolarHBondContact OD1-N 2.86Å; D73-G76 VanDerWaalsContact CG-N 3.29Å; D73-G76 PolarHBondContact OD1-N 3.26Å; D73-G76 WeakPolarHBondContact OD2-CA 3.46Å; D73-G76 PolarHBondContact OD2-N 2.93Å; D73-G76 VanDerWaalsContact OD2-N 3.15Å
74V91Very high91Very high10 Ų1026.3 Ų26.36%0.06114%0.137CC..SBendtrans-128.1-10.5173.8-64.40000112.5R46 L71 P94 V207 L209 M880R46-V74 VanDerWaalsContact NH2-CG1 3.29Å; L71-V74 HydrophobicContact CB-CG1 3.78Å; L71-V74 HydrophobicContact CD1-CG1 4.14Å; V74-P94 WeakPolarHBondContact O-CB 3.3Å; V74-V207 HydrophobicContact CB-CG1 4.15Å; V74-V207 HydrophobicContact CG1-CG1 3.73Å; V74-L209 HydrophobicContact CG2-CD2 4.27Å; V74-M880 HydrophobicContact CG2-CE 4.22Å
75G89.5Confident90.8Very high1 Ų126.9 Ų26.91%0.0114%0.14CC..SBendtrans-89.6-30.8174.100000112.8D73 F77 R97 R877 L879 M880D73-G75 WeakPolarHBondContact OD1-CA 3.3Å; D73-G75 PolarHBondContact OD1-N 2.86Å; G75-F77 PolarHBondContact O-N 3.22Å; G75-R97 PolarHBondContact O-NH1 3Å; G75-R97 VanDerWaalsContact O-NH1 3.15Å; G75-R877 VanDerWaalsContact O-O 3.11Å; G75-L879 PolarHBondContact O-N 3.14Å; G75-M880 VanDerWaalsContact CA-CG 3.46Å
76G92.4Very high90.4Very high10 Ų1029.4 Ų29.410%0.10315%0.151CC..EExtended strand (participates in β ladder)trans-55.2120178.500000113.7D73 R877D73-G76 VanDerWaalsContact CG-N 3.29Å; D73-G76 PolarHBondContact OD1-N 3.26Å; D73-G76 WeakPolarHBondContact OD2-CA 3.46Å; D73-G76 PolarHBondContact OD2-N 2.93Å; D73-G76 VanDerWaalsContact OD2-N 3.15Å; G76-R877 VanDerWaalsContact CA-O 3.31Å; G76-R877 WeakPolarHBondContact CA-O 3.37Å
77F96.5Very high89.9Confident1 Ų132 Ų320%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-157.1149.5173.3-179.4-119.3000112.1G75 C79 F82 L84 A89 R97 L100 E101 R877G75-F77 PolarHBondContact O-N 3.22Å; F77-C79 HydrophobicContact CD1-CB 4.05Å; F77-C79 HydrophobicContact CE1-CB 4.2Å; F77-C79 PolarHBondContact O-N 3.25Å; F77-F82 HydrophobicContact CD2-CD2 4.39Å; F77-F82 HydrophobicContact CD2-CE2 4.43Å; F77-F82 HydrophobicContact CE1-CD2 4.29Å; F77-F82 AromaticContact CE2-CD2 3.38Å; F77-F82 HydrophobicContact CE2-CD2 3.38Å; F77-F82 AromaticContact CE2-CE2 3.56Å; F77-F82 HydrophobicContact CE2-CE2 3.56Å; F77-F82 HydrophobicContact CE2-CG 4.31Å; F77-F82 HydrophobicContact CZ-CB 4.06Å; F77-F82 AromaticContact CZ-CD2 3.32Å; F77-F82 HydrophobicContact CZ-CD2 3.32Å; F77-F82 HydrophobicContact CZ-CE2 4.01Å; F77-F82 AromaticContact CZ-CG 3.91Å; F77-F82 HydrophobicContact CZ-CG 3.91Å; F77-L84 HydrophobicContact CE1-CD1 3.75Å; F77-L84 HydrophobicContact CZ-CD1 3.98Å; F77-A89 HydrophobicContact CD1-CB 4.18Å; F77-A89 HydrophobicContact CE1-CB 4.37Å; F77-R97 HydrophobicContact CB-CB 4.31Å; F77-R97 HydrophobicContact CB-CG 4.44Å; F77-R97 HydrophobicContact CD1-CB 4.37Å; F77-R97 VanDerWaalsContact CD1-CD 3.48Å; F77-R97 HydrophobicContact CD1-CG 3.9Å; F77-R97 HydrophobicContact CD2-CB 3.59Å; F77-R97 HydrophobicContact CD2-CG 4.03Å; F77-R97 HydrophobicContact CE1-CG 4.06Å; F77-R97 HydrophobicContact CE2-CB 3.87Å; F77-R97 HydrophobicContact CE2-CG 4.17Å; F77-R97 HydrophobicContact CG-CB 3.84Å; F77-R97 HydrophobicContact CG-CG 3.87Å; F77-R97 HydrophobicContact CZ-CB 4.37Å; F77-R97 HydrophobicContact CZ-CG 4.18Å; F77-L100 HydrophobicContact CE2-CB 4.24Å; F77-L100 HydrophobicContact CE2-CD1 4.31Å; F77-L100 HydrophobicContact CZ-CD1 3.83Å; F77-E101 HydrophobicContact CD2-CG 4.31Å; F77-E101 HydrophobicContact CE2-CG 4.35Å; F77-R877 PolarHBondContact N-O 3.18Å; F77-R877 VanDerWaalsContact N-O 3.09Å; F77-R877 PolarHBondContact O-N 3Å; F77-R877 VanDerWaalsContact O-N 3.16Å
78D92.7Very high89.6Confident6 Ų629.5 Ų29.53%0.03215%0.152CC..  trans-95.471.9179.2-161-30.7000111.9D80 F81 F82 T456 W874 T875D78-D80 VanDerWaalsContact C-N 3.34Å; D78-D80 PolarHBondContact O-N 3.24Å; D78-F81 HydrophobicContact CB-CB 4.3Å; D78-F81 PolarHBondContact O-N 2.93Å; D78-F81 VanDerWaalsContact OD1-CB 3.27Å; D78-F81 WeakPolarHBondContact OD1-CB 3.46Å; D78-F81 PolarHBondContact OD1-N 3.47Å; D78-F82 WeakPolarHBondContact O-CD2 3.3Å; D78-F82 PolarHBondContact O-N 2.65Å; D78-T456 WeakPolarHBondContact OD2-CB 3.47Å; D78-T456 WeakPolarHBondContact OD2-CG2 3.37Å; D78-T456 PolarHBondContact OD2-OG1 3.15Å; D78-W874 HydrophobicContact CB-CB 4.49Å; D78-W874 HydrophobicContact CB-CE3 4.07Å; D78-T875 WeakPolarHBondContact OD2-CB 3.39Å; D78-T875 PolarHBondContact OD2-N 3.24Å
79C89.8Confident89.4Confident1 Ų129.5 Ų29.51%0.00715%0.152CC..THydrogen-bonded Turntrans-61.8-36.9-173.356.80000114.1F77 F81 F82 G83 L84 A89 L879F77-C79 HydrophobicContact CD1-CB 4.05Å; F77-C79 HydrophobicContact CE1-CB 4.2Å; F77-C79 PolarHBondContact O-N 3.25Å; C79-F81 PolarHBondContact O-N 3.47Å; C79-F82 PolarHBondContact O-N 2.67Å; C79-G83 PolarHBondContact O-N 2.99Å; C79-L84 CarbonylContact C-O 3.49Å; C79-L84 HydrophobicContact CB-CB 4.43Å; C79-L84 PolarHBondContact O-N 2.97Å; C79-A89 HydrophobicContact CB-CB 3.53Å; C79-L879 HydrophobicContact CB-CD1 3.96Å
80D83.6Confident89.2Confident44 Ų4430.8 Ų30.824%0.23516%0.16CC..THydrogen-bonded Turntrans-65.7-37.9-179.6-73.9-24.9000111.6D78 G83 R877 R2025D78-D80 VanDerWaalsContact C-N 3.34Å; D78-D80 PolarHBondContact O-N 3.24Å; D80-G83 PolarHBondContact O-N 3.36Å; D80-R877 IonicContact OD1-NH1 2.7Å; D80-R877 IonicContact OD2-CZ 2.67Å; D80-R877 IonicContact OD2-NH1 3.06Å; D80-R877 PolarHBondContact OD2-NH1 2.67Å; D80-R877 IonicContact OD2-NH2 3.98Å; D80-R877 PolarHBondContact OD2-NH2 2.68Å; D80-R2025 IonicContact OD1-CZ 3.91Å; D80-R2025 IonicContact OD1-NE 2.93Å; D80-R2025 IonicContact OD1-NH2 2.96Å; D80-R2025 PolarHBondContact OD1-NH2 3.03Å
81F86.6Confident88.8Confident52 Ų5230 Ų3023%0.22816%0.159CC..THydrogen-bonded Turntrans-66.1-42.6177.6-178.4-95.6000112.9D78 C79 G83 W104 T456 W874D78-F81 HydrophobicContact CB-CB 4.3Å; D78-F81 PolarHBondContact O-N 2.93Å; D78-F81 VanDerWaalsContact OD1-CB 3.27Å; D78-F81 WeakPolarHBondContact OD1-CB 3.46Å; D78-F81 PolarHBondContact OD1-N 3.47Å; C79-F81 PolarHBondContact O-N 3.47Å; F81-G83 PolarHBondContact O-N 3.47Å; F81-W104 HydrophobicContact CE1-CD2 4.06Å; F81-W104 AromaticContact CE1-CE3 3.89Å; F81-W104 HydrophobicContact CE1-CE3 3.89Å; F81-W104 AromaticContact CE1-CH2 3.84Å; F81-W104 HydrophobicContact CE1-CH2 3.84Å; F81-W104 AromaticContact CE1-CZ2 3.99Å; F81-W104 HydrophobicContact CE1-CZ2 3.99Å; F81-W104 AromaticContact CE1-CZ3 3.77Å; F81-W104 HydrophobicContact CE1-CZ3 3.77Å; F81-W104 HydrophobicContact CZ-CD2 4.44Å; F81-W104 AromaticContact CZ-CE2 3.98Å; F81-W104 HydrophobicContact CZ-CE3 4.42Å; F81-W104 AromaticContact CZ-CH2 3.57Å; F81-W104 HydrophobicContact CZ-CH2 3.57Å; F81-W104 AromaticContact CZ-CZ2 3.55Å; F81-W104 HydrophobicContact CZ-CZ2 3.55Å; F81-W104 HydrophobicContact CZ-CZ3 4.01Å; F81-T456 HydrophobicContact CB-CG2 4.01Å; F81-T456 HydrophobicContact CD2-CG2 3.44Å; F81-T456 VanDerWaalsContact CD2-CG2 3.44Å; F81-T456 HydrophobicContact CE2-CG2 4.12Å; F81-T456 HydrophobicContact CG-CG2 3.83Å; F81-W874 HydrophobicContact CD1-CH2 4.38Å; F81-W874 AromaticContact CD1-CZ3 3.61Å; F81-W874 HydrophobicContact CD1-CZ3 3.61Å; F81-W874 HydrophobicContact CE1-CH2 4.2Å; F81-W874 AromaticContact CE1-CZ3 3.83Å; F81-W874 HydrophobicContact CE1-CZ3 3.83Å; F81-W874 HydrophobicContact CG-CZ3 4.28Å
82F89.8Confident88.6Confident14 Ų1429.8 Ų29.86%0.06116%0.157CC..THydrogen-bonded Turntrans-81.27179.2-67.6-73.1000113.8F77 D78 C79 L84 L100 E101 W104 T164 W874F77-F82 HydrophobicContact CD2-CD2 4.39Å; F77-F82 HydrophobicContact CD2-CE2 4.43Å; F77-F82 HydrophobicContact CE1-CD2 4.29Å; F77-F82 AromaticContact CE2-CD2 3.38Å; F77-F82 HydrophobicContact CE2-CD2 3.38Å; F77-F82 AromaticContact CE2-CE2 3.56Å; F77-F82 HydrophobicContact CE2-CE2 3.56Å; F77-F82 HydrophobicContact CE2-CG 4.31Å; F77-F82 HydrophobicContact CZ-CB 4.06Å; F77-F82 AromaticContact CZ-CD2 3.32Å; F77-F82 HydrophobicContact CZ-CD2 3.32Å; F77-F82 HydrophobicContact CZ-CE2 4.01Å; F77-F82 AromaticContact CZ-CG 3.91Å; F77-F82 HydrophobicContact CZ-CG 3.91Å; D78-F82 WeakPolarHBondContact O-CD2 3.3Å; D78-F82 PolarHBondContact O-N 2.65Å; C79-F82 PolarHBondContact O-N 2.67Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 HydrophobicContact CB-CD1 4.08Å; F82-L84 HydrophobicContact CB-CG 4.43Å; F82-L84 PolarHBondContact O-N 3.15Å; F82-L100 HydrophobicContact CD1-CB 4.25Å; F82-L100 HydrophobicContact CD1-CD2 4.34Å; F82-L100 HydrophobicContact CE1-CB 3.94Å; F82-L100 HydrophobicContact CE2-CB 4.33Å; F82-L100 HydrophobicContact CZ-CB 3.98Å; F82-E101 HydrophobicContact CE2-CG 3.83Å; F82-E101 HydrophobicContact CZ-CG 4.1Å; F82-W104 HydrophobicContact CE1-CE3 4.19Å; F82-T164 HydrophobicContact CB-CG2 4.41Å; F82-T164 HydrophobicContact CD1-CG2 3.87Å; F82-W874 HydrophobicContact CE1-CH2 4.44Å; F82-W874 HydrophobicContact CE2-CE3 4.22Å; F82-W874 HydrophobicContact CE2-CH2 4.08Å; F82-W874 AromaticContact CE2-CZ3 3.67Å; F82-W874 HydrophobicContact CE2-CZ3 3.67Å; F82-W874 HydrophobicContact CZ-CE3 4.5Å; F82-W874 AromaticContact CZ-CH2 3.55Å; F82-W874 HydrophobicContact CZ-CH2 3.55Å; F82-W874 HydrophobicContact CZ-CZ2 4.42Å; F82-W874 AromaticContact CZ-CZ3 3.59Å; F82-W874 HydrophobicContact CZ-CZ3 3.59Å
83G84.5Confident88.9Confident30 Ų3024.5 Ų24.531%0.30913%0.129SC..THydrogen-bonded Turntrans71.424.517700000114.3C79 D80 F81 G2037C79-G83 PolarHBondContact O-N 2.99Å; D80-G83 PolarHBondContact O-N 3.36Å; F81-G83 PolarHBondContact O-N 3.47Å; G83-G2037 WeakPolarHBondContact O-CA 3.39Å
84L87.3Confident89.2Confident12 Ų1221.3 Ų21.36%0.06311%0.112CC..  trans-105140.3-175.7-65.7165.6000110.7F77 C79 F82 E88 A89 I92 L100F77-L84 HydrophobicContact CE1-CD1 3.75Å; F77-L84 HydrophobicContact CZ-CD1 3.98Å; C79-L84 CarbonylContact C-O 3.49Å; C79-L84 HydrophobicContact CB-CB 4.43Å; C79-L84 PolarHBondContact O-N 2.97Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 HydrophobicContact CB-CD1 4.08Å; F82-L84 HydrophobicContact CB-CG 4.43Å; F82-L84 PolarHBondContact O-N 3.15Å; L84-E88 VanDerWaalsContact CD2-OE2 3.28Å; L84-E88 WeakPolarHBondContact CD2-OE2 3.38Å; L84-A89 HydrophobicContact CB-CB 4.46Å; L84-I92 HydrophobicContact CD1-CD1 3.95Å; L84-I92 HydrophobicContact CD2-CD1 4.13Å; L84-L100 HydrophobicContact CD1-CD1 4.29Å
85T83.5Confident89.5Confident20 Ų2021 Ų2112%0.12311%0.11CC..  trans-71151.3173.370.70000110.8R87 E88 A89 L2023 G2037T85-R87 PolarHBondContact O-N 3.04Å; T85-E88 PolarHBondContact O-N 3.06Å; T85-E88 VanDerWaalsContact O-N 3.1Å; T85-E88 WeakPolarHBondContact OG1-CB 3.45Å; T85-E88 PolarHBondContact OG1-N 3.06Å; T85-A89 WeakPolarHBondContact O-CB 3.49Å; T85-A89 PolarHBondContact O-N 2.96Å; T85-L2023 HydrophobicContact CG2-CD2 4.05Å; T85-G2037 WeakPolarHBondContact CG2-O 3.25Å
86E83Confident89.8Confident61 Ų6120.9 Ų20.929%0.28511%0.109SC..Hα-helixtrans-55.7-36.9179.1-167.3-177.1112.400113T90 L879 R2024E86-T90 WeakPolarHBondContact O-CB 3.31Å; E86-T90 PolarHBondContact O-N 3.33Å; E86-T90 PolarHBondContact O-OG1 2.94Å; E86-L879 HydrophobicContact CG-CD2 3.61Å; E86-R2024 IonicContact OE1-CZ 3.7Å; E86-R2024 IonicContact OE1-NH1 3.79Å; E86-R2024 PolarHBondContact OE1-NH1 3.31Å; E86-R2024 IonicContact OE1-NH2 3.14Å; E86-R2024 WeakPolarHBondContact OE2-CD 3.4Å; E86-R2024 IonicContact OE2-CZ 2.73Å; E86-R2024 IonicContact OE2-NE 3.94Å; E86-R2024 IonicContact OE2-NH1 2.67Å; E86-R2024 PolarHBondContact OE2-NH1 3.17Å
87R81.1Confident90Very high123 Ų12320.6 Ų20.646%0.46411%0.105SC..Hα-helixtrans-73.3-37.5177.3-61.9-162.9-156.3146.710.1113.2T85 A91 E2045T85-R87 PolarHBondContact O-N 3.04Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.26Å; R87-E2045 IonicContact CZ-OE1 3.57Å; R87-E2045 IonicContact CZ-OE2 3.88Å; R87-E2045 VanDerWaalsContact CZ-OE2 3.3Å; R87-E2045 IonicContact NH1-OE1 3.31Å; R87-E2045 IonicContact NH1-OE2 3.17Å; R87-E2045 PolarHBondContact NH1-OE2 3.26Å; R87-E2045 IonicContact NH2-OE1 3.02Å; R87-E2045 PolarHBondContact NH2-OE1 3.23Å; R87-E2045 IonicContact NH2-OE2 3.1Å; R87-E2045 PolarHBondContact NH2-OE2 3.2Å; R87-E2045 VanDerWaalsContact NH2-OE2 3.13Å
88E88.1Confident90.1Very high23 Ų2321.1 Ų21.111%0.10711%0.108CC..Hα-helixtrans-66.6-49.9172.7-171.1-173.8178.500109.9L84 T85 T90 A91 I92 Y147 R160L84-E88 VanDerWaalsContact CD2-OE2 3.28Å; L84-E88 WeakPolarHBondContact CD2-OE2 3.38Å; T85-E88 PolarHBondContact O-N 3.06Å; T85-E88 VanDerWaalsContact O-N 3.1Å; T85-E88 WeakPolarHBondContact OG1-CB 3.45Å; T85-E88 PolarHBondContact OG1-N 3.06Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 PolarHBondContact O-N 3.29Å; E88-A91 CarbonylContact O-C 3.04Å; E88-A91 WeakPolarHBondContact O-CA 3.43Å; E88-A91 PolarHBondContact O-N 2.66Å; E88-I92 HydrophobicContact CG-CD1 3.86Å; E88-I92 HydrophobicContact CG-CG1 4.15Å; E88-I92 WeakPolarHBondContact O-CG1 3.05Å; E88-I92 PolarHBondContact O-N 3.21Å; E88-Y147 HydrophobicContact CB-CD1 4.2Å; E88-Y147 HydrophobicContact CB-CD2 4.03Å; E88-Y147 HydrophobicContact CB-CE1 4Å; E88-Y147 HydrophobicContact CB-CE2 3.82Å; E88-Y147 HydrophobicContact CB-CG 4.22Å; E88-Y147 HydrophobicContact CG-CD1 3.67Å; E88-Y147 HydrophobicContact CG-CD2 4.25Å; E88-Y147 HydrophobicContact CG-CE1 3.79Å; E88-Y147 HydrophobicContact CG-CE2 4.36Å; E88-Y147 HydrophobicContact CG-CG 3.92Å; E88-R160 IonicContact OE1-CZ 2.82Å; E88-R160 IonicContact OE1-NH1 3.8Å; E88-R160 PolarHBondContact OE1-NH1 3.39Å; E88-R160 IonicContact OE1-NH2 2.72Å; E88-R160 PolarHBondContact OE1-NH2 3.08Å
89A90.8Very high90.3Very high0 Ų020.9 Ų20.90%011%0.106CC..Hα-helixtrans-55.9-42.6179.700000112.5F77 C79 L84 T85 A91 I92 R97 L879F77-A89 HydrophobicContact CD1-CB 4.18Å; F77-A89 HydrophobicContact CE1-CB 4.37Å; C79-A89 HydrophobicContact CB-CB 3.53Å; L84-A89 HydrophobicContact CB-CB 4.46Å; T85-A89 WeakPolarHBondContact O-CB 3.49Å; T85-A89 PolarHBondContact O-N 2.96Å; A89-A91 VanDerWaalsContact C-N 3.32Å; A89-A91 PolarHBondContact O-N 3.49Å; A89-I92 PolarHBondContact O-N 2.88Å; A89-R97 PolarHBondContact O-NE 3.19Å; A89-R97 PolarHBondContact O-NH2 3.19Å; A89-R97 VanDerWaalsContact O-NH2 3.15Å; A89-L879 HydrophobicContact CB-CD1 3.75Å
90T91.1Very high90.7Very high27 Ų2721 Ų2117%0.16611%0.107CC..Hα-helixtrans-64-33.9174.3-58.30000112.5E86 E88 Y133 L881E86-T90 WeakPolarHBondContact O-CB 3.31Å; E86-T90 PolarHBondContact O-N 3.33Å; E86-T90 PolarHBondContact O-OG1 2.94Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 PolarHBondContact O-N 3.29Å; T90-Y133 VanDerWaalsContact O-CE1 3.29Å; T90-Y133 WeakPolarHBondContact O-CE1 3.37Å; T90-Y133 PolarHBondContact O-OH 3.35Å; T90-L881 HydrophobicContact CG2-CD2 4.1Å; T90-L881 HydrophobicContact CG2-CG 4.32Å
91A88.6Confident91.3Very high10 Ų1019 Ų198%0.08310%0.096CC..Hα-helixtrans-82.9-18.4177.400000114.2R87 E88 A89 Y147R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.26Å; E88-A91 CarbonylContact O-C 3.04Å; E88-A91 WeakPolarHBondContact O-CA 3.43Å; E88-A91 PolarHBondContact O-N 2.66Å; A89-A91 VanDerWaalsContact C-N 3.32Å; A89-A91 PolarHBondContact O-N 3.49Å; A91-Y147 HydrophobicContact CB-CD2 4.38Å; A91-Y147 HydrophobicContact CB-CG 4.44Å
92I92.8Very high91.8Very high0 Ų016.5 Ų16.50%09%0.086CC..SBendtrans-71.1134.3172.6-69.8166.7000110L84 E88 A89 H96 R97 Y133 G151L84-I92 HydrophobicContact CD1-CD1 3.95Å; L84-I92 HydrophobicContact CD2-CD1 4.13Å; E88-I92 HydrophobicContact CG-CD1 3.86Å; E88-I92 HydrophobicContact CG-CG1 4.15Å; E88-I92 WeakPolarHBondContact O-CG1 3.05Å; E88-I92 PolarHBondContact O-N 3.21Å; A89-I92 PolarHBondContact O-N 2.88Å; I92-H96 HydrophobicContact CG2-CB 3.62Å; I92-R97 HydrophobicContact CG2-CG 3.87Å; I92-R97 PolarHBondContact O-NE 3.48Å; I92-R97 PolarHBondContact O-NH2 3.32Å; I92-Y133 WeakPolarHBondContact O-CE1 3.32Å; I92-G151 WeakPolarHBondContact CA-O 3.15Å
93D95Very high92.2Very high2 Ų216 Ų161%0.0118%0.084CC..  trans-56.1128.7173.3-172.3-47.5000111.1Q95 H96 R97 Y133 G151D93-Q95 PolarHBondContact O-N 3.07Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.24Å; D93-Q95 WeakPolarHBondContact OD1-CG 3.32Å; D93-Q95 PolarHBondContact OD1-N 3.29Å; D93-Q95 PolarHBondContact OD1-NE2 3.49Å; D93-Q95 PolarHBondContact OD2-NE2 3.19Å; D93-H96 WeakPolarHBondContact O-CB 3.42Å; D93-H96 PolarHBondContact O-N 3.17Å; D93-R97 PolarHBondContact O-N 2.84Å; D93-Y133 HydrophobicContact CB-CD1 4.22Å; D93-Y133 HydrophobicContact CB-CG 4.26Å; D93-Y133 VanDerWaalsContact CG-CB 3.47Å; D93-Y133 WeakPolarHBondContact OD2-CB 3.38Å; D93-G151 PolarHBondContact N-O 3.13Å
94P95.5Very high92.7Very high1 Ų116 Ų161%0.0067%0.074CC..Hα-helixtrans-45.5-33.5173.7-35.139.7000115.4V74 H96 R97 L98 Y133 L209 M880V74-P94 WeakPolarHBondContact O-CB 3.3Å; P94-H96 VanDerWaalsContact C-N 3.28Å; P94-H96 PolarHBondContact O-N 3.04Å; P94-R97 WeakPolarHBondContact O-CB 3.46Å; P94-R97 PolarHBondContact O-N 2.95Å; P94-R97 VanDerWaalsContact O-N 3.11Å; P94-L98 WeakPolarHBondContact O-CG 3.47Å; P94-L98 PolarHBondContact O-N 3.06Å; P94-Y133 VanDerWaalsContact CD-CD2 3.42Å; P94-Y133 HydrophobicContact CG-CD2 4.08Å; P94-Y133 HydrophobicContact CG-CE2 3.95Å; P94-L209 HydrophobicContact CG-CD1 4.5Å; P94-M880 HydrophobicContact CG-CE 4.25Å; P94-M880 HydrophobicContact CG-SD 3.67Å
95Q97.1Very high93.1Very high2 Ų215.9 Ų15.91%0.0097%0.074CC..Hα-helixtrans-59.6-38.2176-63.1176107.800111.8D93 L99 L128 H130 V205 V207D93-Q95 PolarHBondContact O-N 3.07Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.24Å; D93-Q95 WeakPolarHBondContact OD1-CG 3.32Å; D93-Q95 PolarHBondContact OD1-N 3.29Å; D93-Q95 PolarHBondContact OD1-NE2 3.49Å; D93-Q95 PolarHBondContact OD2-NE2 3.19Å; Q95-L99 WeakPolarHBondContact O-CD1 3.41Å; Q95-L99 VanDerWaalsContact O-CG 3.25Å; Q95-L99 WeakPolarHBondContact O-CG 3.25Å; Q95-L99 PolarHBondContact O-N 2.57Å; Q95-L128 HydrophobicContact CB-CD1 4.34Å; Q95-H130 PolarHBondContact NE2-O 3.34Å; Q95-V205 HydrophobicContact CB-CG1 3.82Å; Q95-V205 HydrophobicContact CB-CG2 3.94Å; Q95-V205 HydrophobicContact CG-CG1 4.44Å; Q95-V205 HydrophobicContact CG-CG2 4.16Å; Q95-V207 HydrophobicContact CG-CB 3.93Å; Q95-V207 HydrophobicContact CG-CG2 3.9Å
96H96.7Very high93.7Very high0 Ų015 Ų150%07%0.068CC..Hα-helixtrans-71.3-33.3175.7-57.8159.9000112.1I92 D93 P94 L99 L100 G151 A157I92-H96 HydrophobicContact CG2-CB 3.62Å; D93-H96 WeakPolarHBondContact O-CB 3.42Å; D93-H96 PolarHBondContact O-N 3.17Å; P94-H96 VanDerWaalsContact C-N 3.28Å; P94-H96 PolarHBondContact O-N 3.04Å; H96-L99 PolarHBondContact O-N 2.77Å; H96-L100 PolarHBondContact O-N 3.46Å; H96-L100 VanDerWaalsContact O-N 3.15Å; H96-G151 PolarHBondContact CE1-O 3.36Å; H96-G151 VanDerWaalsContact CE1-O 3.29Å; H96-G151 PolarHBondContact ND1-O 3.25Å; H96-A157 WeakPolarHBondContact CD2-CA 3.45Å; H96-A157 WeakPolarHBondContact CD2-CB 3.41Å; H96-A157 WeakPolarHBondContact NE2-CB 3.27Å
97R96.5Very high94.3Very high4 Ų412 Ų122%0.0155%0.054CC..Hα-helixtrans-71.7-44.9178.9-66.1-172.3-111.1153.4-15.2112.1G75 F77 A89 I92 D93 P94 L99 L100 E101 Y133 L879G75-R97 PolarHBondContact O-NH1 3Å; G75-R97 VanDerWaalsContact O-NH1 3.15Å; F77-R97 HydrophobicContact CB-CB 4.31Å; F77-R97 HydrophobicContact CB-CG 4.44Å; F77-R97 HydrophobicContact CD1-CB 4.37Å; F77-R97 VanDerWaalsContact CD1-CD 3.48Å; F77-R97 HydrophobicContact CD1-CG 3.9Å; F77-R97 HydrophobicContact CD2-CB 3.59Å; F77-R97 HydrophobicContact CD2-CG 4.03Å; F77-R97 HydrophobicContact CE1-CG 4.06Å; F77-R97 HydrophobicContact CE2-CB 3.87Å; F77-R97 HydrophobicContact CE2-CG 4.17Å; F77-R97 HydrophobicContact CG-CB 3.84Å; F77-R97 HydrophobicContact CG-CG 3.87Å; F77-R97 HydrophobicContact CZ-CB 4.37Å; F77-R97 HydrophobicContact CZ-CG 4.18Å; A89-R97 PolarHBondContact O-NE 3.19Å; A89-R97 PolarHBondContact O-NH2 3.19Å; A89-R97 VanDerWaalsContact O-NH2 3.15Å; I92-R97 HydrophobicContact CG2-CG 3.87Å; I92-R97 PolarHBondContact O-NE 3.48Å; I92-R97 PolarHBondContact O-NH2 3.32Å; D93-R97 PolarHBondContact O-N 2.84Å; P94-R97 WeakPolarHBondContact O-CB 3.46Å; P94-R97 PolarHBondContact O-N 2.95Å; P94-R97 VanDerWaalsContact O-N 3.11Å; R97-L99 VanDerWaalsContact C-N 3.28Å; R97-L99 PolarHBondContact O-N 3.14Å; R97-L100 PolarHBondContact O-N 3.02Å; R97-L100 VanDerWaalsContact O-N 3.15Å; R97-E101 PolarHBondContact O-N 3.22Å; R97-Y133 PolarHBondContact NH2-OH 2.94Å; R97-L879 PolarHBondContact NH1-O 3.17Å; R97-L879 PolarHBondContact NH2-O 3.45Å
98L97Very high94.9Very high11 Ų116.4 Ų6.46%0.0583%0.033CC..Hα-helixtrans-58.1-40.3170.7-70.7170.3000111.6R17 L71 P94 L100 V102 V205 V207 C245R17-L98 HydrophobicContact CB-CD2 4.22Å; R17-L98 HydrophobicContact CG-CD2 4.15Å; L71-L98 HydrophobicContact CD1-CD1 3.69Å; P94-L98 WeakPolarHBondContact O-CG 3.47Å; P94-L98 PolarHBondContact O-N 3.06Å; L98-L100 VanDerWaalsContact C-N 3.35Å; L98-L100 PolarHBondContact O-N 3.36Å; L98-V102 VanDerWaalsContact O-CB 3.24Å; L98-V102 WeakPolarHBondContact O-CB 3.09Å; L98-V102 WeakPolarHBondContact O-CG2 3.48Å; L98-V102 PolarHBondContact O-N 2.67Å; L98-V205 HydrophobicContact CB-CG2 4.34Å; L98-V205 HydrophobicContact CD1-CG2 4.24Å; L98-V207 HydrophobicContact CD1-CG2 3.6Å; L98-C245 HydrophobicContact CB-CB 3.98Å; L98-C245 HydrophobicContact CD1-CB 4.48Å
99L97.9Very high95.2Very high1 Ų16.2 Ų6.21%0.0053%0.032CC..Hα-helixtrans-64.6-34.8176-76.5166.7000113.2Q95 H96 R97 S103 V126 A157 V161 V205 V247Q95-L99 WeakPolarHBondContact O-CD1 3.41Å; Q95-L99 VanDerWaalsContact O-CG 3.25Å; Q95-L99 WeakPolarHBondContact O-CG 3.25Å; Q95-L99 PolarHBondContact O-N 2.57Å; H96-L99 PolarHBondContact O-N 2.77Å; R97-L99 VanDerWaalsContact C-N 3.28Å; R97-L99 PolarHBondContact O-N 3.14Å; L99-S103 WeakPolarHBondContact O-CB 3.02Å; L99-S103 PolarHBondContact O-N 3.45Å; L99-S103 PolarHBondContact O-OG 3.03Å; L99-V126 HydrophobicContact CD1-CG1 3.53Å; L99-V126 HydrophobicContact CD1-CG2 4.22Å; L99-V126 HydrophobicContact CD2-CG1 4.11Å; L99-V126 HydrophobicContact CD2-CG2 4.18Å; L99-V126 HydrophobicContact CG-CG1 4.49Å; L99-A157 HydrophobicContact CD1-CB 3.85Å; L99-V161 HydrophobicContact CB-CG2 4.14Å; L99-V205 HydrophobicContact CD1-CB 4.47Å; L99-V205 HydrophobicContact CD1-CG1 3.66Å; L99-V205 HydrophobicContact CD2-CB 4.33Å; L99-V205 HydrophobicContact CD2-CG1 4.3Å; L99-V205 HydrophobicContact CG-CB 4.19Å; L99-V205 HydrophobicContact CG-CG1 3.92Å; L99-V247 HydrophobicContact CD2-CG2 4.06Å
100L97.5Very high95.3Very high5 Ų56.2 Ų6.23%0.0263%0.032CC..Hα-helixtrans-66-51.5175.7-76.3165.9000111.6F77 F82 L84 H96 R97 L98 W104 V161F77-L100 HydrophobicContact CE2-CB 4.24Å; F77-L100 HydrophobicContact CE2-CD1 4.31Å; F77-L100 HydrophobicContact CZ-CD1 3.83Å; F82-L100 HydrophobicContact CD1-CB 4.25Å; F82-L100 HydrophobicContact CD1-CD2 4.34Å; F82-L100 HydrophobicContact CE1-CB 3.94Å; F82-L100 HydrophobicContact CE2-CB 4.33Å; F82-L100 HydrophobicContact CZ-CB 3.98Å; L84-L100 HydrophobicContact CD1-CD1 4.29Å; H96-L100 PolarHBondContact O-N 3.46Å; H96-L100 VanDerWaalsContact O-N 3.15Å; R97-L100 PolarHBondContact O-N 3.02Å; R97-L100 VanDerWaalsContact O-N 3.15Å; L98-L100 VanDerWaalsContact C-N 3.35Å; L98-L100 PolarHBondContact O-N 3.36Å; L100-W104 PolarHBondContact O-N 2.9Å; L100-W104 VanDerWaalsContact O-N 3.14Å; L100-V161 HydrophobicContact CD2-CG2 4.05Å; L100-V161 HydrophobicContact CG-CG2 4.37Å
101E96.2Very high95.2Very high1 Ų15 Ų51%0.0053%0.025CC..Hα-helixtrans-62.7-51.6177.4-71.7-175.9-169.700112R17 F77 F82 R97 S103 W104 E105 W874 H876R17-E101 IonicContact CZ-OE2 3.69Å; R17-E101 VanDerWaalsContact CZ-OE2 3.32Å; R17-E101 IonicContact NH1-OE2 3.23Å; R17-E101 PolarHBondContact NH1-OE2 2.79Å; R17-E101 IonicContact NH2-OE2 3.09Å; R17-E101 PolarHBondContact NH2-OE2 3.41Å; F77-E101 HydrophobicContact CD2-CG 4.31Å; F77-E101 HydrophobicContact CE2-CG 4.35Å; F82-E101 HydrophobicContact CE2-CG 3.83Å; F82-E101 HydrophobicContact CZ-CG 4.1Å; R97-E101 PolarHBondContact O-N 3.22Å; E101-S103 VanDerWaalsContact C-N 3.31Å; E101-S103 PolarHBondContact O-N 2.72Å; E101-W104 WeakPolarHBondContact O-CB 3.32Å; E101-W104 PolarHBondContact O-N 3.48Å; E101-W104 VanDerWaalsContact O-N 3.14Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.33Å; E101-E105 PolarHBondContact O-N 3.34Å; E101-W874 HydrophobicContact CB-CZ2 4.08Å; E101-W874 HydrophobicContact CG-CD2 3.9Å; E101-W874 HydrophobicContact CG-CE3 4.29Å; E101-W874 HydrophobicContact CG-CG 4.27Å; E101-W874 HydrophobicContact CG-CH2 4.47Å; E101-W874 HydrophobicContact CG-CZ2 4.11Å; E101-H876 IonicContact OE1-CD2 3.65Å; E101-H876 PolarHBondContact OE1-CD2 3.14Å; E101-H876 VanDerWaalsContact OE1-CD2 3.32Å; E101-H876 IonicContact OE1-NE2 3.9Å; E101-H876 PolarHBondContact OE1-NE2 3.14Å; E101-H876 IonicContact OE2-CE1 3.78Å; E101-H876 IonicContact OE2-NE2 3.1Å; E101-H876 PolarHBondContact OE2-NE2 2.93Å
102V97.9Very high95.3Very high0 Ų05.6 Ų5.60%03%0.028CC..Hα-helixtrans-71.4-26.4-173.9-178.50000111.8A15 R17 L98 A106 C245 V247A15-V102 VanDerWaalsContact C-CG1 3.43Å; A15-V102 HydrophobicContact CB-CG1 3.85Å; A15-V102 WeakPolarHBondContact O-CG1 3.28Å; R17-V102 HydrophobicContact CB-CG2 4.02Å; L98-V102 VanDerWaalsContact O-CB 3.24Å; L98-V102 WeakPolarHBondContact O-CB 3.09Å; L98-V102 WeakPolarHBondContact O-CG2 3.48Å; L98-V102 PolarHBondContact O-N 2.67Å; V102-A106 WeakPolarHBondContact O-CB 3.29Å; V102-A106 PolarHBondContact O-N 3.39Å; V102-C245 HydrophobicContact CG2-CB 4.28Å; V102-V247 HydrophobicContact CB-CG2 4.25Å; V102-V247 HydrophobicContact CG1-CB 4.02Å; V102-V247 HydrophobicContact CG1-CG2 3.82Å
103S98.1Very high95Very high3 Ų38.3 Ų8.32%0.0214%0.042CC..Hα-helixtrans-70.5-41.9169.4-61.90000112L99 E101 A106 I107L99-S103 WeakPolarHBondContact O-CB 3.02Å; L99-S103 PolarHBondContact O-N 3.45Å; L99-S103 PolarHBondContact O-OG 3.03Å; E101-S103 VanDerWaalsContact C-N 3.31Å; E101-S103 PolarHBondContact O-N 2.72Å; S103-A106 PolarHBondContact O-N 2.89Å; S103-I107 WeakPolarHBondContact O-CD1 3.38Å; S103-I107 VanDerWaalsContact O-CG1 3.31Å; S103-I107 WeakPolarHBondContact O-CG1 3.02Å; S103-I107 PolarHBondContact O-N 2.97Å
104W95.4Very high94.6Very high29 Ų298.3 Ų8.311%0.114%0.042CC..Hα-helixtrans-61.5-46.1174.6-171.3-68.6000111.1F81 F82 L100 E101 A106 I107 E108 P114 L165 A496 R498 W874F81-W104 HydrophobicContact CE1-CD2 4.06Å; F81-W104 AromaticContact CE1-CE3 3.89Å; F81-W104 HydrophobicContact CE1-CE3 3.89Å; F81-W104 AromaticContact CE1-CH2 3.84Å; F81-W104 HydrophobicContact CE1-CH2 3.84Å; F81-W104 AromaticContact CE1-CZ2 3.99Å; F81-W104 HydrophobicContact CE1-CZ2 3.99Å; F81-W104 AromaticContact CE1-CZ3 3.77Å; F81-W104 HydrophobicContact CE1-CZ3 3.77Å; F81-W104 HydrophobicContact CZ-CD2 4.44Å; F81-W104 AromaticContact CZ-CE2 3.98Å; F81-W104 HydrophobicContact CZ-CE3 4.42Å; F81-W104 AromaticContact CZ-CH2 3.57Å; F81-W104 HydrophobicContact CZ-CH2 3.57Å; F81-W104 AromaticContact CZ-CZ2 3.55Å; F81-W104 HydrophobicContact CZ-CZ2 3.55Å; F81-W104 HydrophobicContact CZ-CZ3 4.01Å; F82-W104 HydrophobicContact CE1-CE3 4.19Å; L100-W104 PolarHBondContact O-N 2.9Å; L100-W104 VanDerWaalsContact O-N 3.14Å; E101-W104 WeakPolarHBondContact O-CB 3.32Å; E101-W104 PolarHBondContact O-N 3.48Å; E101-W104 VanDerWaalsContact O-N 3.14Å; W104-A106 VanDerWaalsContact C-N 3.33Å; W104-A106 PolarHBondContact O-N 2.61Å; W104-I107 PolarHBondContact O-N 3.21Å; W104-I107 VanDerWaalsContact O-N 3.11Å; W104-E108 PolarHBondContact NE1-OE1 3.19Å; W104-E108 PolarHBondContact O-N 2.9Å; W104-P114 HydrophobicContact CD2-CB 4.24Å; W104-P114 HydrophobicContact CD2-CG 3.93Å; W104-P114 HydrophobicContact CE3-CB 4.18Å; W104-P114 HydrophobicContact CE3-CG 4.39Å; W104-P114 HydrophobicContact CG-CG 4.37Å; W104-P114 HydrophobicContact CH2-CB 3.88Å; W104-P114 HydrophobicContact CH2-CG 4.19Å; W104-P114 HydrophobicContact CZ2-CB 3.94Å; W104-P114 HydrophobicContact CZ2-CG 3.72Å; W104-P114 HydrophobicContact CZ3-CB 4.01Å; W104-L165 HydrophobicContact CE3-CD2 3.69Å; W104-L165 HydrophobicContact CZ3-CD2 3.86Å; W104-A496 HydrophobicContact CZ2-CB 3.85Å; W104-R498 VanDerWaalsContact CD1-NH2 3.3Å; W104-R498 VanDerWaalsContact NE1-CZ 3.29Å; W104-W874 HydrophobicContact CB-CH2 3.95Å; W104-W874 HydrophobicContact CB-CZ2 4.1Å; W104-W874 AromaticContact CD1-CH2 3.85Å; W104-W874 HydrophobicContact CD2-CH2 4.29Å; W104-W874 AromaticContact CG-CH2 3.74Å; W104-W874 HydrophobicContact CG-CH2 3.74Å; W104-W874 HydrophobicContact CG-CZ2 4.16Å
105E94.8Very high94Very high11 Ų1111.7 Ų11.75%0.0517%0.07CC..Hα-helixtrans-59.9-39.7175.4-71.3167.517900112.4A15 R17 E101 I107 E108 H109 L871 W874A15-E105 HydrophobicContact CB-CB 3.43Å; A15-E105 VanDerWaalsContact CB-CB 3.43Å; R17-E105 IonicContact CZ-OE1 2.98Å; R17-E105 IonicContact NH2-OE1 3.1Å; R17-E105 PolarHBondContact NH2-OE1 2.94Å; R17-E105 IonicContact NH2-OE2 2.73Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.33Å; E101-E105 PolarHBondContact O-N 3.34Å; E105-I107 PolarHBondContact O-N 3.02Å; E105-E108 PolarHBondContact O-N 3.26Å; E105-H109 WeakPolarHBondContact O-CB 3.43Å; E105-H109 PolarHBondContact O-N 3.14Å; E105-L871 HydrophobicContact CB-CD1 3.69Å; E105-L871 HydrophobicContact CG-CD1 3.84Å; E105-W874 HydrophobicContact CG-CZ2 4.27Å; E105-W874 PolarHBondContact OE1-NE1 2.88Å
106A97.1Very high93.5Very high0 Ų016.2 Ų16.20%010%0.098CC..Hα-helixtrans-64.4-30.2176.600000112.4G13 A15 V102 S103 W104 A110 L201 V247G13-A106 WeakPolarHBondContact CA-O 3.47Å; A15-A106 HydrophobicContact CB-CB 4.11Å; V102-A106 WeakPolarHBondContact O-CB 3.29Å; V102-A106 PolarHBondContact O-N 3.39Å; S103-A106 PolarHBondContact O-N 2.89Å; W104-A106 VanDerWaalsContact C-N 3.33Å; W104-A106 PolarHBondContact O-N 2.61Å; A106-A110 PolarHBondContact O-N 3.46Å; A106-L201 HydrophobicContact CB-CD2 4.37Å; A106-V247 HydrophobicContact CB-CB 4.42Å; A106-V247 HydrophobicContact CB-CG1 4.33Å
107I95.7Very high93.2Very high0 Ų017 Ų170%010%0.102CC..Hα-helixtrans-77.8-47.1176.5-61.1159000110.9S103 W104 E105 H109 A110 G111 V112 P114 L117 L165 L201 L249S103-I107 WeakPolarHBondContact O-CD1 3.38Å; S103-I107 VanDerWaalsContact O-CG1 3.31Å; S103-I107 WeakPolarHBondContact O-CG1 3.02Å; S103-I107 PolarHBondContact O-N 2.97Å; W104-I107 PolarHBondContact O-N 3.21Å; W104-I107 VanDerWaalsContact O-N 3.11Å; E105-I107 PolarHBondContact O-N 3.02Å; I107-H109 VanDerWaalsContact C-N 3.27Å; I107-H109 PolarHBondContact O-N 3.42Å; I107-A110 WeakPolarHBondContact O-CA 3.34Å; I107-A110 WeakPolarHBondContact O-CB 3.38Å; I107-A110 PolarHBondContact O-N 3.34Å; I107-G111 PolarHBondContact O-N 3.44Å; I107-V112 HydrophobicContact CG2-CB 3.71Å; I107-V112 HydrophobicContact CG2-CG1 3.79Å; I107-V112 PolarHBondContact O-N 2.93Å; I107-V112 VanDerWaalsContact O-N 3.08Å; I107-P114 HydrophobicContact CB-CG 4.15Å; I107-P114 HydrophobicContact CG2-CB 4.22Å; I107-P114 HydrophobicContact CG2-CG 3.72Å; I107-L117 HydrophobicContact CD1-CD1 3.89Å; I107-L117 HydrophobicContact CG1-CD1 4.07Å; I107-L117 HydrophobicContact CG2-CD1 3.75Å; I107-L165 HydrophobicContact CD1-CD1 3.62Å; I107-L165 HydrophobicContact CD1-CD2 4.38Å; I107-L201 HydrophobicContact CD1-CD1 4.3Å; I107-L201 HydrophobicContact CD1-CD2 4.45Å; I107-L201 HydrophobicContact CG1-CD2 4.23Å; I107-L249 HydrophobicContact CG1-CD1 4.33Å; I107-L249 HydrophobicContact CG1-CD2 4.23Å
108E92.9Very high92.8Very high4 Ų419.4 Ų19.42%0.01912%0.123CC..Hα-helixtrans-62.8-32.6173.2-71.8-175.9165.500111.8W104 E105 A110 G111 P114 R498 L871W104-E108 PolarHBondContact NE1-OE1 3.19Å; W104-E108 PolarHBondContact O-N 2.9Å; E105-E108 PolarHBondContact O-N 3.26Å; E108-A110 VanDerWaalsContact C-N 3.34Å; E108-G111 WeakPolarHBondContact O-CA 3.45Å; E108-G111 PolarHBondContact O-N 2.98Å; E108-P114 HydrophobicContact CG-CG 4.4Å; E108-R498 VanDerWaalsContact CD-NH2 3.3Å; E108-R498 IonicContact OE1-CZ 3.25Å; E108-R498 IonicContact OE1-NE 3.93Å; E108-R498 PolarHBondContact OE1-NE 3.31Å; E108-R498 VanDerWaalsContact OE1-NE 3.1Å; E108-R498 IonicContact OE1-NH2 2.74Å; E108-R498 PolarHBondContact OE1-NH2 2.78Å; E108-R498 IonicContact OE2-NH2 2.87Å; E108-R498 PolarHBondContact OE2-NH2 3.4Å; E108-L871 HydrophobicContact CB-CD1 4.48Å; E108-L871 HydrophobicContact CB-CD2 3.72Å
109H93.9Very high92.5Very high20 Ų2027 Ų279%0.09316%0.158CC..Hα-helixtrans-69.9-26.1172.3-176.7-67.8000113M14 E105 I107 G111 R262 D868M14-H109 PolarHBondContact N-ND1 2.92Å; M14-H109 PolarHBondContact O-CD2 3.43Å; M14-H109 VanDerWaalsContact O-CG 3.26Å; E105-H109 WeakPolarHBondContact O-CB 3.43Å; E105-H109 PolarHBondContact O-N 3.14Å; I107-H109 VanDerWaalsContact C-N 3.27Å; I107-H109 PolarHBondContact O-N 3.42Å; H109-G111 PolarHBondContact O-N 3.16Å; H109-R262 PolarHBondContact CE1-NH2 2.93Å; H109-R262 PolarHBondContact ND1-NH2 3.13Å; H109-R262 PolarHBondContact O-NH2 3.49Å; H109-D868 IonicContact NE2-OD1 3.97Å
110A93.5Very high92.3Very high0 Ų028.4 Ų28.40%017%0.168CC..THydrogen-bonded Turntrans-74.8-9166.700000112.4I12 A106 I107 E108 V112 L249 L866I12-A110 HydrophobicContact CB-CB 4.49Å; I12-A110 HydrophobicContact CD1-CB 4.14Å; I12-A110 HydrophobicContact CG1-CB 3.98Å; A106-A110 PolarHBondContact O-N 3.46Å; I107-A110 WeakPolarHBondContact O-CA 3.34Å; I107-A110 WeakPolarHBondContact O-CB 3.38Å; I107-A110 PolarHBondContact O-N 3.34Å; E108-A110 VanDerWaalsContact C-N 3.34Å; A110-V112 VanDerWaalsContact C-N 3.3Å; A110-V112 HydrophobicContact CB-CG2 4.13Å; A110-L249 HydrophobicContact CB-CD2 3.62Å; A110-L866 VanDerWaalsContact C-CD2 3.44Å; A110-L866 VanDerWaalsContact O-CD2 3.29Å; A110-L866 WeakPolarHBondContact O-CD2 3.33Å
111G89.6Confident92.2Very high2 Ų232.3 Ų32.32%0.02119%0.186CC..THydrogen-bonded Turntrans66.534.3-17100000111.8I107 E108 H109 R494I107-G111 PolarHBondContact O-N 3.44Å; E108-G111 WeakPolarHBondContact O-CA 3.45Å; E108-G111 PolarHBondContact O-N 2.98Å; H109-G111 PolarHBondContact O-N 3.16Å; G111-R494 CarbonylContact C-O 3.42Å; G111-R494 WeakPolarHBondContact CA-O 3.23Å; G111-R494 VanDerWaalsContact O-CZ 3.24Å; G111-R494 PolarHBondContact O-NE 2.96Å; G111-R494 PolarHBondContact O-NH2 2.99Å
112V89.9Confident92.3Very high22 Ų2232.3 Ų32.313%0.13319%0.186CC..  trans-102.9137.5172.3173.20000107I107 A110 P114 L117I107-V112 HydrophobicContact CG2-CB 3.71Å; I107-V112 HydrophobicContact CG2-CG1 3.79Å; I107-V112 PolarHBondContact O-N 2.93Å; I107-V112 VanDerWaalsContact O-N 3.08Å; A110-V112 VanDerWaalsContact C-N 3.3Å; A110-V112 HydrophobicContact CB-CG2 4.13Å; V112-P114 WeakPolarHBondContact O-CD 3.21Å; V112-L117 HydrophobicContact CG1-CD1 4.17Å; V112-L117 HydrophobicContact CG1-CD2 3.99Å; V112-L117 HydrophobicContact CG1-CG 3.93Å
113D86.6Confident92.4Very high56 Ų5632.3 Ų32.330%0.29919%0.186SC..  trans-76.8117.3167.9172.38.4000108A115 T116D113-A115 PolarHBondContact O-N 2.91Å; D113-A115 VanDerWaalsContact O-N 3.11Å; D113-A115 WeakPolarHBondContact OD1-CB 3.14Å; D113-A115 PolarHBondContact OD1-N 2.99Å; D113-T116 HydrophobicContact CB-CG2 4.05Å; D113-T116 WeakPolarHBondContact O-CB 3.27Å; D113-T116 PolarHBondContact O-N 2.97Å; D113-T116 PolarHBondContact O-OG1 2.98Å
114P87.7Confident92.4Very high3 Ų332.3 Ų32.32%0.01919%0.186CC..G310 helixtrans-56.7-27.2-178.4-2636.9000114.1W104 I107 E108 V112 T116 L117 L165W104-P114 HydrophobicContact CD2-CB 4.24Å; W104-P114 HydrophobicContact CD2-CG 3.93Å; W104-P114 HydrophobicContact CE3-CB 4.18Å; W104-P114 HydrophobicContact CE3-CG 4.39Å; W104-P114 HydrophobicContact CG-CG 4.37Å; W104-P114 HydrophobicContact CH2-CB 3.88Å; W104-P114 HydrophobicContact CH2-CG 4.19Å; W104-P114 HydrophobicContact CZ2-CB 3.94Å; W104-P114 HydrophobicContact CZ2-CG 3.72Å; W104-P114 HydrophobicContact CZ3-CB 4.01Å; I107-P114 HydrophobicContact CB-CG 4.15Å; I107-P114 HydrophobicContact CG2-CB 4.22Å; I107-P114 HydrophobicContact CG2-CG 3.72Å; E108-P114 HydrophobicContact CG-CG 4.4Å; V112-P114 WeakPolarHBondContact O-CD 3.21Å; P114-T116 PolarHBondContact O-N 3.25Å; P114-L117 PolarHBondContact O-N 2.67Å; P114-L117 VanDerWaalsContact O-N 3.08Å; P114-L165 HydrophobicContact CB-CD2 3.91Å
115A82.8Confident92.6Very high71 Ų7131.2 Ų31.259%0.58718%0.182SC*.G310 helixtrans-62.1-25.117400000113D113 L117D113-A115 PolarHBondContact O-N 2.91Å; D113-A115 VanDerWaalsContact O-N 3.11Å; D113-A115 WeakPolarHBondContact OD1-CB 3.14Å; D113-A115 PolarHBondContact OD1-N 2.99Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 3.12Å
116T85.5Confident92.7Very high98 Ų9830.9 Ų30.960%0.60118%0.181SC*.G310 helixtrans-81.1-4.3176.967.70000114.2D113 P114D113-T116 HydrophobicContact CB-CG2 4.05Å; D113-T116 WeakPolarHBondContact O-CB 3.27Å; D113-T116 PolarHBondContact O-N 2.97Å; D113-T116 PolarHBondContact O-OG1 2.98Å; P114-T116 PolarHBondContact O-N 3.25Å
117L90.6Very high92.8Very high15 Ų1530.9 Ų30.98%0.07918%0.181CC..G310 helixtrans-94.2-6.6174.9-62.1-177.5000113.4I107 V112 P114 A115 S120 L167 L199I107-L117 HydrophobicContact CD1-CD1 3.89Å; I107-L117 HydrophobicContact CG1-CD1 4.07Å; I107-L117 HydrophobicContact CG2-CD1 3.75Å; V112-L117 HydrophobicContact CG1-CD1 4.17Å; V112-L117 HydrophobicContact CG1-CD2 3.99Å; V112-L117 HydrophobicContact CG1-CG 3.93Å; P114-L117 PolarHBondContact O-N 2.67Å; P114-L117 VanDerWaalsContact O-N 3.08Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 3.12Å; L117-S120 WeakPolarHBondContact O-CB 3.32Å; L117-S120 PolarHBondContact O-N 2.9Å; L117-S120 VanDerWaalsContact O-N 3.12Å; L117-S120 PolarHBondContact O-OG 3Å; L117-L167 HydrophobicContact CB-CD2 3.75Å; L117-L167 WeakPolarHBondContact O-CD2 3.42Å; L117-L199 HydrophobicContact CD1-CD2 3.97Å; L117-L199 HydrophobicContact CD2-CD2 3.6Å; L117-L199 HydrophobicContact CG-CD2 4.47Å
118A88.8Confident92.8Very high55 Ų5531 Ų3146%0.45518%0.181SC..THydrogen-bonded Turntrans-57.4141.4171.500000111S120 G166A118-S120 PolarHBondContact O-N 2.95Å; A118-S120 VanDerWaalsContact O-N 3.15Å; A118-G166 CarbonylContact C-O 3.5Å; A118-G166 WeakPolarHBondContact CA-O 3.23Å
119E90.5Very high92.4Very high172 Ų17231.9 Ų31.980%0.80419%0.187SC*.THydrogen-bonded Turntrans63.35.2-174-52.2-169.2161.200115.3G166E119-G166 PolarHBondContact N-O 3.27Å
120S93.3Very high91.7Very high30 Ų3032.1 Ų32.121%0.2119%0.188CC..SBendtrans-84.2152.6-178.975.90000114.2L117 A118 T122 H168L117-S120 WeakPolarHBondContact O-CB 3.32Å; L117-S120 PolarHBondContact O-N 2.9Å; L117-S120 VanDerWaalsContact O-N 3.12Å; L117-S120 PolarHBondContact O-OG 3Å; A118-S120 PolarHBondContact O-N 2.95Å; A118-S120 VanDerWaalsContact O-N 3.15Å; S120-T122 PolarHBondContact O-N 3.3Å; S120-T122 PolarHBondContact OG-OG1 2.88Å; S120-H168 PolarHBondContact O-N 2.69Å
121Q96.1Very high91.2Very high86 Ų8632.7 Ų32.740%0.40220%0.195SC..  trans-74.552.9168.9-70.4-56.3124.300112.4H168 E196 S197 D198Q121-H168 PolarHBondContact NE2-O 3.37Å; Q121-H168 VanDerWaalsContact NE2-O 3.11Å; Q121-H168 PolarHBondContact OE1-O 2.94Å; Q121-E196 PolarHBondContact NE2-O 3.31Å; Q121-S197 WeakPolarHBondContact O-CA 3.25Å; Q121-D198 PolarHBondContact O-N 2.81Å
122T98.3Very high91.2Very high2 Ų232.9 Ų32.91%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-89.6121.5173.6-57.90000110.4S120 L167 G169 L199S120-T122 PolarHBondContact O-N 3.3Å; S120-T122 PolarHBondContact OG-OG1 2.88Å; T122-L167 HydrophobicContact CG2-CD1 3.85Å; T122-L167 HydrophobicContact CG2-CD2 4.45Å; T122-G169 VanDerWaalsContact O-CA 3.24Å; T122-G169 WeakPolarHBondContact O-CA 3.19Å; T122-G169 PolarHBondContact O-N 2.68Å; T122-G169 VanDerWaalsContact O-N 3.08Å; T122-L199 CarbonylContact C-O 3.6Å; T122-L199 VanDerWaalsContact CA-O 3.25Å; T122-L199 WeakPolarHBondContact CA-O 3.33Å; T122-L199 HydrophobicContact CG2-CB 4.04Å; T122-L199 HydrophobicContact CG2-CD2 4.03Å; T122-L199 HydrophobicContact CG2-CG 4.11Å
123G98.4Very high91.3Very high0 Ų031.9 Ų31.90%019%0.189CC..EExtended strand (participates in β ladder)trans-84159.6174.500000113.3P170 L199 A200 L201G123-P170 CarbonylContact C-O 3.58Å; G123-P170 WeakPolarHBondContact CA-O 3.47Å; G123-L199 PolarHBondContact N-O 2.6Å; G123-A200 CarbonylContact O-C 3.05Å; G123-A200 WeakPolarHBondContact O-CA 3.45Å; G123-L201 PolarHBondContact O-N 3.38Å
124V98.8Very high91.4Very high2 Ų234.6 Ų34.61%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-135.9110.3-179.7-175.20000109.8V126 V161 A162 L167 P170 A171 V172 L201V124-V126 HydrophobicContact CG1-CG2 4.15Å; V124-V161 HydrophobicContact CG1-CB 4.03Å; V124-V161 HydrophobicContact CG1-CG1 3.92Å; V124-V161 HydrophobicContact CG2-CG1 4.18Å; V124-A162 HydrophobicContact CG2-CB 4.08Å; V124-L167 HydrophobicContact CG2-CD1 3.82Å; V124-P170 PolarHBondContact N-O 2.88Å; V124-A171 WeakPolarHBondContact O-CA 3.43Å; V124-V172 PolarHBondContact O-N 3.12Å; V124-L201 HydrophobicContact CG2-CD1 4.27Å
125F98.8Very high91.3Very high7 Ų738.1 Ų38.13%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-119.4115.5-174.6-62.2-93.8000110.8P170 V172 A184 Q187 A188 S191 A200 L201 A202 G203F125-P170 HydrophobicContact CZ-CB 4.05Å; F125-P170 HydrophobicContact CZ-CG 4.44Å; F125-V172 WeakPolarHBondContact CA-O 3.35Å; F125-V172 HydrophobicContact CD1-CB 3.9Å; F125-V172 HydrophobicContact CD1-CG2 4.18Å; F125-V172 HydrophobicContact CE1-CB 4.14Å; F125-V172 HydrophobicContact CE1-CG2 3.88Å; F125-A184 HydrophobicContact CB-CB 4.05Å; F125-A184 WeakPolarHBondContact CB-O 3.18Å; F125-Q187 HydrophobicContact CD1-CB 3.72Å; F125-Q187 HydrophobicContact CE1-CB 3.96Å; F125-A188 HydrophobicContact CB-CB 4.17Å; F125-A188 HydrophobicContact CD2-CB 3.53Å; F125-A188 HydrophobicContact CE2-CB 4.08Å; F125-A188 HydrophobicContact CG-CB 3.87Å; F125-S191 VanDerWaalsContact CZ-CB 3.49Å; F125-A200 HydrophobicContact CD2-CB 4.31Å; F125-A200 HydrophobicContact CE2-CB 4.3Å; F125-L201 PolarHBondContact N-O 3.06Å; F125-A202 WeakPolarHBondContact O-CA 3.37Å; F125-G203 PolarHBondContact O-N 2.96Å
126V98.6Very high91.3Very high4 Ų435.3 Ų35.32%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-124.7124.1-170.7175.30000111.3L99 V124 L128 A157 V172 T173 V174L99-V126 HydrophobicContact CD1-CG1 3.53Å; L99-V126 HydrophobicContact CD1-CG2 4.22Å; L99-V126 HydrophobicContact CD2-CG1 4.11Å; L99-V126 HydrophobicContact CD2-CG2 4.18Å; L99-V126 HydrophobicContact CG-CG1 4.49Å; V124-V126 HydrophobicContact CG1-CG2 4.15Å; V126-L128 HydrophobicContact CG1-CB 4.26Å; V126-A157 HydrophobicContact CG1-CB 4.22Å; V126-V172 PolarHBondContact N-O 3.32Å; V126-T173 HydrophobicContact CB-CG2 4.36Å; V126-T173 HydrophobicContact CG1-CG2 4.24Å; V126-T173 CarbonylContact O-C 3.6Å; V126-T173 VanDerWaalsContact O-CA 3.31Å; V126-T173 WeakPolarHBondContact O-CA 3.19Å; V126-V174 PolarHBondContact O-N 3.16Å
127G98.2Very high91.2Very high0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-84.4119.7164.800000112.2V174 G203 G204 V205 S352G127-V174 WeakPolarHBondContact CA-O 3.4Å; G127-G203 PolarHBondContact N-O 3.03Å; G127-G204 VanDerWaalsContact O-CA 3.27Å; G127-G204 WeakPolarHBondContact O-CA 3.18Å; G127-V205 PolarHBondContact O-N 2.94Å; G127-V205 VanDerWaalsContact O-N 3.17Å; G127-S352 VanDerWaalsContact O-CB 3.29Å; G127-S352 WeakPolarHBondContact O-CB 3.49Å
128L96.4Very high90.7Very high1 Ų132.8 Ų32.81%0.00518%0.184CC..  trans-150.1123180-161.3175000109.5Q95 V126 H130 A157 T173 V174 V205Q95-L128 HydrophobicContact CB-CD1 4.34Å; V126-L128 HydrophobicContact CG1-CB 4.26Å; L128-H130 WeakPolarHBondContact CD2-O 3.45Å; L128-A157 HydrophobicContact CD1-CB 3.76Å; L128-T173 HydrophobicContact CB-CG2 3.78Å; L128-V174 PolarHBondContact N-O 3.17Å; L128-V205 HydrophobicContact CD1-CG1 4.15Å; L128-V205 HydrophobicContact CG-CG1 4.05Å
129T84.4Confident90Very high24 Ų2433.9 Ų33.915%0.14718%0.182CC..  trans-104.5-16.5-166.352.30000115.7A177 S180 Q351T129-A177 WeakPolarHBondContact CG2-O 3.37Å; T129-S180 WeakPolarHBondContact CG2-OG 3.34Å; T129-Q351 PolarHBondContact OG1-OE1 3Å
130H78.4Confident89Confident24 Ų2426.3 Ų26.311%0.11115%0.148CC..  trans-162.7151-171.756.353.5000114.7Q95 L128 V207 K213 Q351Q95-H130 PolarHBondContact NE2-O 3.34Å; L128-H130 WeakPolarHBondContact CD2-O 3.45Å; H130-V207 PolarHBondContact CE1-O 3.19Å; H130-V207 VanDerWaalsContact CE1-O 3.28Å; H130-K213 PolarHBondContact CD2-NZ 3.07Å; H130-K213 PolarHBondContact CE1-NZ 3.37Å; H130-K213 PolarHBondContact ND1-NZ 2.89Å; H130-K213 VanDerWaalsContact ND1-NZ 3.15Å; H130-K213 PolarHBondContact NE2-NZ 2.93Å; H130-Q351 PolarHBondContact CD2-OE1 3.24Å; H130-Q351 PolarHBondContact NE2-OE1 3.22Å
131G83.3Confident87.8Confident13 Ų1326 Ų2613%0.13415%0.151CC..  trans-108.582.9171.700000112.7Y133 E134G131-Y133 PolarHBondContact O-N 2.84Å; G131-E134 WeakPolarHBondContact O-CB 3.46Å; G131-E134 PolarHBondContact O-N 3.4Å
132D90.2Very high86.7Confident6 Ų623 Ų233%0.03214%0.14CC..Hα-helixtrans-67.3-30.4169.7-77.3-4.2000111.2E134 L135 L136 L209 E210 K213D132-E134 PolarHBondContact O-N 3.06Å; D132-L135 PolarHBondContact O-N 3.29Å; D132-L136 WeakPolarHBondContact O-CB 3.27Å; D132-L136 PolarHBondContact O-N 2.9Å; D132-L209 HydrophobicContact CB-CB 3.95Å; D132-L209 PolarHBondContact OD2-N 3.17Å; D132-E210 HydrophobicContact CB-CB 4.24Å; D132-E210 PolarHBondContact OD2-N 3.03Å; D132-K213 WeakPolarHBondContact OD1-CE 3.27Å; D132-K213 IonicContact OD1-NZ 2.74Å; D132-K213 PolarHBondContact OD1-NZ 3.4Å; D132-K213 IonicContact OD2-NZ 3.38Å; D132-K213 PolarHBondContact OD2-NZ 3.17Å
133Y91.9Very high85.6Confident0 Ų024.8 Ų24.80%016%0.155CC..Hα-helixtrans-69.6-21.4174.7-144.4-111.9000112.6T90 I92 D93 P94 R97 G131 L136 S137 T152 L209 M880 L881T90-Y133 VanDerWaalsContact O-CE1 3.29Å; T90-Y133 WeakPolarHBondContact O-CE1 3.37Å; T90-Y133 PolarHBondContact O-OH 3.35Å; I92-Y133 WeakPolarHBondContact O-CE1 3.32Å; D93-Y133 HydrophobicContact CB-CD1 4.22Å; D93-Y133 HydrophobicContact CB-CG 4.26Å; D93-Y133 VanDerWaalsContact CG-CB 3.47Å; D93-Y133 WeakPolarHBondContact OD2-CB 3.38Å; P94-Y133 VanDerWaalsContact CD-CD2 3.42Å; P94-Y133 HydrophobicContact CG-CD2 4.08Å; P94-Y133 HydrophobicContact CG-CE2 3.95Å; R97-Y133 PolarHBondContact NH2-OH 2.94Å; G131-Y133 PolarHBondContact O-N 2.84Å; Y133-L136 HydrophobicContact CD2-CD2 3.82Å; Y133-L136 HydrophobicContact CE2-CD2 3.82Å; Y133-S137 WeakPolarHBondContact O-CB 3.43Å; Y133-S137 PolarHBondContact O-N 3.3Å; Y133-T152 HydrophobicContact CD1-CG2 4.4Å; Y133-L209 HydrophobicContact CD2-CD1 3.65Å; Y133-L209 HydrophobicContact CE2-CD1 4.31Å; Y133-M880 HydrophobicContact CE2-CE 3.89Å; Y133-M880 HydrophobicContact CE2-SD 3.91Å; Y133-L881 HydrophobicContact CD1-CD1 4.29Å; Y133-L881 HydrophobicContact CE1-CD1 3.66Å; Y133-L881 HydrophobicContact CE1-CG 4.08Å; Y133-L881 HydrophobicContact CE2-CB 4.49Å; Y133-L881 PolarHBondContact OH-N 3.3Å
134E88.4Confident84.4Confident113 Ų11333.6 Ų33.653%0.52820%0.196SC..Hα-helixtrans-68.8-44.7170.8-166.9-178.4-174.100110.8G131 D132 S137 A138 T152G131-E134 WeakPolarHBondContact O-CB 3.46Å; G131-E134 PolarHBondContact O-N 3.4Å; D132-E134 PolarHBondContact O-N 3.06Å; E134-S137 PolarHBondContact O-N 3.13Å; E134-A138 WeakPolarHBondContact O-CB 3.34Å; E134-A138 PolarHBondContact O-N 3.44Å; E134-T152 HydrophobicContact CB-CG2 4.4Å
135L85.2Confident83Confident77 Ų7734.5 Ų34.540%0.40321%0.206SC..Hα-helixtrans-64.5-42.8174.5-64.7176.3000111.9D132 A138 D139 E210D132-L135 PolarHBondContact O-N 3.29Å; L135-A138 PolarHBondContact O-N 2.85Å; L135-D139 PolarHBondContact O-N 2.65Å; L135-E210 HydrophobicContact CD1-CG 4.06Å
136L84.2Confident81.7Confident12 Ų1237.8 Ų37.86%0.06323%0.228CC..Hα-helixtrans-64.7-41.5175.7-178.956.2000111.7D132 Y133 A138 D139 C140 L209 L881 R883D132-L136 WeakPolarHBondContact O-CB 3.27Å; D132-L136 PolarHBondContact O-N 2.9Å; Y133-L136 HydrophobicContact CD2-CD2 3.82Å; Y133-L136 HydrophobicContact CE2-CD2 3.82Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 3.21Å; L136-D139 PolarHBondContact O-N 2.92Å; L136-C140 WeakPolarHBondContact O-CB 3.2Å; L136-C140 PolarHBondContact O-N 3.49Å; L136-C140 PolarHBondContact O-SG 3.42Å; L136-L209 HydrophobicContact CD2-CD1 4.4Å; L136-L881 WeakPolarHBondContact CD2-O 3.42Å; L136-L881 HydrophobicContact CG-CB 4.37Å; L136-R883 HydrophobicContact CD1-CG 3.44Å; L136-R883 VanDerWaalsContact CD1-CG 3.44Å
137S83.4Confident81Confident0 Ų038.8 Ų38.80%023%0.231CC..Hα-helixtrans-65.2-34.3175.8-172.80000112.2Y133 E134 G141 A142 A143Y133-S137 WeakPolarHBondContact O-CB 3.43Å; Y133-S137 PolarHBondContact O-N 3.3Å; E134-S137 PolarHBondContact O-N 3.13Å; S137-G141 CarbonylContact O-C 2.79Å; S137-G141 PolarHBondContact O-N 3.28Å; S137-G141 VanDerWaalsContact O-N 3.14Å; S137-A142 PolarHBondContact O-N 2.93Å; S137-A142 VanDerWaalsContact OG-C 3.23Å; S137-A142 WeakPolarHBondContact OG-CB 3.37Å; S137-A143 PolarHBondContact O-N 3.46Å; S137-A143 WeakPolarHBondContact OG-CA 3.42Å; S137-A143 PolarHBondContact OG-N 3.42Å
138A79.8Confident80.2Confident60 Ų6039 Ų3950%0.49623%0.234SC..Hα-helixtrans-70.1-46.7171.200000112.4E134 L135 L136 C140 G141 A143E134-A138 WeakPolarHBondContact O-CB 3.34Å; E134-A138 PolarHBondContact O-N 3.44Å; L135-A138 PolarHBondContact O-N 2.85Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 3.21Å; A138-C140 PolarHBondContact O-N 3.11Å; A138-G141 PolarHBondContact O-N 3.09Å; A138-A143 HydrophobicContact CB-CB 4.22Å
139D73.5Confident79.6Confident78 Ų7846 Ų4642%0.41727%0.265SS..Hα-helixtrans-56.7-30.6174.1-78.4-11000111.8L135 L136 R212 R883L135-D139 PolarHBondContact O-N 2.65Å; L136-D139 PolarHBondContact O-N 2.92Å; D139-R212 IonicContact OD2-NH2 3.01Å; D139-R883 IonicContact OD2-CZ 2.68Å; D139-R883 VanDerWaalsContact OD2-CZ 3.25Å; D139-R883 IonicContact OD2-NE 3.78Å; D139-R883 PolarHBondContact OD2-NE 3.23Å; D139-R883 IonicContact OD2-NH2 3.05Å; D139-R883 PolarHBondContact OD2-NH2 3.33Å
140C70.5Confident79.7Confident13 Ų1346.6 Ų46.69%0.08827%0.268CS..THydrogen-bonded Turntrans-96.7-0.1-178.8-58.40000115L136 A138 A142 S882L136-C140 WeakPolarHBondContact O-CB 3.2Å; L136-C140 PolarHBondContact O-N 3.49Å; L136-C140 PolarHBondContact O-SG 3.42Å; A138-C140 PolarHBondContact O-N 3.11Å; C140-A142 PolarHBondContact O-N 2.77Å; C140-A142 VanDerWaalsContact O-N 3.15Å; C140-S882 PolarHBondContact SG-O 3.04Å; C140-S882 VanDerWaalsContact SG-O 3.35Å
141G66.9Low80.1Confident25 Ų2545.5 Ų45.526%0.25826%0.263SS..SBendtrans74.7-12.3-174.600000115.8S137 A138 A143 E144S137-G141 CarbonylContact O-C 2.79Å; S137-G141 PolarHBondContact O-N 3.28Å; S137-G141 VanDerWaalsContact O-N 3.14Å; A138-G141 PolarHBondContact O-N 3.09Å; G141-A143 PolarHBondContact O-N 2.82Å; G141-A143 VanDerWaalsContact O-N 3.11Å; G141-E144 PolarHBondContact O-N 3.03Å; G141-E144 VanDerWaalsContact O-N 3.14Å
142A73.6Confident80.4Confident21 Ų2145 Ų4517%0.17426%0.258CS..G310 helixtrans-60.7-20.7178.900000114.1S137 C140 E144 G145 G148 L881S137-A142 PolarHBondContact O-N 2.93Å; S137-A142 VanDerWaalsContact OG-C 3.23Å; S137-A142 WeakPolarHBondContact OG-CB 3.37Å; C140-A142 PolarHBondContact O-N 2.77Å; C140-A142 VanDerWaalsContact O-N 3.15Å; A142-E144 VanDerWaalsContact C-N 3.27Å; A142-E144 PolarHBondContact O-N 2.86Å; A142-G145 WeakPolarHBondContact O-CA 3.27Å; A142-G145 PolarHBondContact O-N 2.78Å; A142-G148 WeakPolarHBondContact O-CA 3.5Å; A142-L881 HydrophobicContact CB-CD1 3.81Å; A142-L881 HydrophobicContact CB-CD2 3.84Å
143A76Confident80.4Confident40 Ų4046.3 Ų46.333%0.33127%0.267SS..G310 helixtrans-64.8-26.8175.900000113.5S137 A138 G141 G145S137-A143 PolarHBondContact O-N 3.46Å; S137-A143 WeakPolarHBondContact OG-CA 3.42Å; S137-A143 PolarHBondContact OG-N 3.42Å; A138-A143 HydrophobicContact CB-CB 4.22Å; G141-A143 PolarHBondContact O-N 2.82Å; G141-A143 VanDerWaalsContact O-N 3.11Å; A143-G145 VanDerWaalsContact C-N 3.27Å
144E72.5Confident80.4Confident186 Ų18648.6 Ų48.687%0.86928%0.279SS*.G310 helixtrans-83.5-5.9171.6-59.3-169.1172.500112.4G141 A142G141-E144 PolarHBondContact O-N 3.03Å; G141-E144 VanDerWaalsContact O-N 3.14Å; A142-E144 VanDerWaalsContact C-N 3.27Å; A142-E144 PolarHBondContact O-N 2.86Å
145G68.7Low80.6Confident20 Ų2046.7 Ų46.721%0.20628%0.278CS..SBendtrans-74.1167.4177.700000113.8A142 A143 Y147 G148A142-G145 WeakPolarHBondContact O-CA 3.27Å; A142-G145 PolarHBondContact O-N 2.78Å; A143-G145 VanDerWaalsContact C-N 3.27Å; G145-Y147 PolarHBondContact O-N 3.39Å; G145-Y147 VanDerWaalsContact O-N 3.15Å; G145-G148 PolarHBondContact O-N 2.89Å
146P72.7Confident81.1Confident77 Ų7746.3 Ų46.350%0.527%0.274SS..THydrogen-bonded Turntrans-61.2-28-176.626.4-36.1000113.6L2041P146-L2041 HydrophobicContact CB-CD1 3.82Å; P146-L2041 HydrophobicContact CB-CD2 3.8Å; P146-L2041 HydrophobicContact CB-CG 4.4Å; P146-L2041 HydrophobicContact CG-CD1 4.3Å; P146-L2041 HydrophobicContact CG-CD2 3.52Å
147Y82.8Confident81.6Confident24 Ų2445.7 Ų45.79%0.09427%0.271CS..THydrogen-bonded Turntrans-99.3-0.1176.6-51.1-56.7000113E88 A91 G145 F149 T150 G151 D2039E88-Y147 HydrophobicContact CB-CD1 4.2Å; E88-Y147 HydrophobicContact CB-CD2 4.03Å; E88-Y147 HydrophobicContact CB-CE1 4Å; E88-Y147 HydrophobicContact CB-CE2 3.82Å; E88-Y147 HydrophobicContact CB-CG 4.22Å; E88-Y147 HydrophobicContact CG-CD1 3.67Å; E88-Y147 HydrophobicContact CG-CD2 4.25Å; E88-Y147 HydrophobicContact CG-CE1 3.79Å; E88-Y147 HydrophobicContact CG-CE2 4.36Å; E88-Y147 HydrophobicContact CG-CG 3.92Å; A91-Y147 HydrophobicContact CB-CD2 4.38Å; A91-Y147 HydrophobicContact CB-CG 4.44Å; G145-Y147 PolarHBondContact O-N 3.39Å; G145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-F149 PolarHBondContact O-N 3.33Å; Y147-T150 PolarHBondContact O-N 2.95Å; Y147-G151 WeakPolarHBondContact O-CA 3.4Å; Y147-G151 PolarHBondContact O-N 2.83Å; Y147-D2039 PolarHBondContact OH-OD2 3.48Å
148G81Confident82.2Confident6 Ų645.9 Ų45.96%0.06227%0.272CS..THydrogen-bonded Turntrans-61.2-29.6-174.300000114.1A142 G145 T152A142-G148 WeakPolarHBondContact O-CA 3.5Å; G145-G148 PolarHBondContact O-N 2.89Å; G148-T152 PolarHBondContact O-OG1 3.21Å
149F83.9Confident83Confident147 Ų14744.3 Ų44.365%0.64526%0.262SS*.THydrogen-bonded Turntrans-92.7-43.5173.9179.5-102.3000113.3Y147 S153 F156Y147-F149 PolarHBondContact O-N 3.33Å; F149-S153 WeakPolarHBondContact O-CB 3.39Å; F149-S153 PolarHBondContact O-N 3.37Å; F149-S153 VanDerWaalsContact O-N 3.17Å; F149-F156 HydrophobicContact CE1-CE2 4.37Å
150T86.4Confident84.1Confident37 Ų3741.7 Ų41.723%0.22725%0.246CC..THydrogen-bonded Turntrans-83.7-13.5-173.758.80000114Y147 F156 R160Y147-T150 PolarHBondContact O-N 2.95Å; T150-F156 HydrophobicContact CG2-CE1 4Å; T150-F156 HydrophobicContact CG2-CE2 4.32Å; T150-F156 HydrophobicContact CG2-CZ 3.71Å; T150-R160 PolarHBondContact O-NE 3.28Å; T150-R160 PolarHBondContact O-NH2 2.87Å
151G87.5Confident85.4Confident0 Ų041.1 Ų41.10%024%0.242CC..THydrogen-bonded Turntrans-83.5-33.3174.600000113.3I92 D93 H96 Y147I92-G151 WeakPolarHBondContact CA-O 3.15Å; D93-G151 PolarHBondContact N-O 3.13Å; H96-G151 PolarHBondContact CE1-O 3.36Å; H96-G151 VanDerWaalsContact CE1-O 3.29Å; H96-G151 PolarHBondContact ND1-O 3.25Å; Y147-G151 WeakPolarHBondContact O-CA 3.4Å; Y147-G151 PolarHBondContact O-N 2.83Å
152T88.7Confident86.8Confident3 Ų340.5 Ų40.52%0.01823%0.234CC..THydrogen-bonded Turntrans-109.4-27.8-167.454.70000114Y133 E134 G148 N154Y133-T152 HydrophobicContact CD1-CG2 4.4Å; E134-T152 HydrophobicContact CB-CG2 4.4Å; G148-T152 PolarHBondContact O-OG1 3.21Å; T152-N154 PolarHBondContact O-N 3.04Å
153S90.5Very high87.9Confident33 Ų3348.9 Ų48.923%0.23126%0.263CS..  trans-66.9120.7-175.6-172.60000112.4F149 S155 F156F149-S153 WeakPolarHBondContact O-CB 3.39Å; F149-S153 PolarHBondContact O-N 3.37Å; F149-S153 VanDerWaalsContact O-N 3.17Å; S153-S155 PolarHBondContact O-N 3.49Å; S153-F156 WeakPolarHBondContact O-CB 3.41Å; S153-F156 PolarHBondContact O-N 2.95Å
154N92.1Very high88.6Confident48 Ų4849.1 Ų49.126%0.25726%0.26SS..THydrogen-bonded Turntrans-50.2-28.5-172.4-61.27.2000115.3T152 F156 A157 T173T152-N154 PolarHBondContact O-N 3.04Å; N154-F156 PolarHBondContact O-N 3.26Å; N154-A157 WeakPolarHBondContact O-CB 3.44Å; N154-A157 PolarHBondContact O-N 2.86Å; N154-A157 VanDerWaalsContact O-N 3.09Å; N154-T173 HydrophobicContact CB-CG2 4.15Å; N154-T173 VanDerWaalsContact O-CB 3.25Å; N154-T173 WeakPolarHBondContact O-CB 3.3Å; N154-T173 VanDerWaalsContact O-CG2 3.32Å; N154-T173 WeakPolarHBondContact O-CG2 3.33Å; N154-T173 PolarHBondContact O-OG1 3.13Å
155S93.1Very high89.6Confident73 Ų7341 Ų4151%0.5122%0.223SC..Hα-helixtrans-66.3-25.7177.754.10000113S153 A157 G159S153-S155 PolarHBondContact O-N 3.49Å; S155-A157 PolarHBondContact O-N 3.06Å; S155-G159 PolarHBondContact O-N 3.26Å
156F94.4Very high90.8Very high69 Ų6941.3 Ų41.330%0.30323%0.226SC..Hα-helixtrans-73.1-12.5173-73.4-100000112.8F149 T150 S153 N154 R160F149-F156 HydrophobicContact CE1-CE2 4.37Å; T150-F156 HydrophobicContact CG2-CE1 4Å; T150-F156 HydrophobicContact CG2-CE2 4.32Å; T150-F156 HydrophobicContact CG2-CZ 3.71Å; S153-F156 WeakPolarHBondContact O-CB 3.41Å; S153-F156 PolarHBondContact O-N 2.95Å; N154-F156 PolarHBondContact O-N 3.26Å; F156-R160 HydrophobicContact CB-CG 4.32Å; F156-R160 WeakPolarHBondContact O-CB 3.3Å; F156-R160 WeakPolarHBondContact O-CG 3.44Å; F156-R160 PolarHBondContact O-N 2.95Å
157A94.7Very high92Very high0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-59.4-58.6175.100000112H96 L99 V126 L128 N154 S155 T173H96-A157 WeakPolarHBondContact CD2-CA 3.45Å; H96-A157 WeakPolarHBondContact CD2-CB 3.41Å; H96-A157 WeakPolarHBondContact NE2-CB 3.27Å; L99-A157 HydrophobicContact CD1-CB 3.85Å; V126-A157 HydrophobicContact CG1-CB 4.22Å; L128-A157 HydrophobicContact CD1-CB 3.76Å; N154-A157 WeakPolarHBondContact O-CB 3.44Å; N154-A157 PolarHBondContact O-N 2.86Å; N154-A157 VanDerWaalsContact O-N 3.09Å; S155-A157 PolarHBondContact O-N 3.06Å; A157-T173 HydrophobicContact CB-CG2 4.32Å
158S97.6Very high92.6Very high3 Ų342.8 Ų42.82%0.02123%0.227CC..Hα-helixtrans-73.6-36.5174.949.10000111.7R160 V161 A162 V172 T173S158-R160 PolarHBondContact O-N 3.06Å; S158-V161 PolarHBondContact O-N 3.31Å; S158-A162 PolarHBondContact O-N 3.4Å; S158-V172 VanDerWaalsContact OG-C 3.26Å; S158-V172 PolarHBondContact OG-N 3.15Å; S158-T173 PolarHBondContact N-OG1 3.04Å; S158-T173 PolarHBondContact OG-N 2.96Å; S158-T173 PolarHBondContact OG-OG1 2.9Å
159G96.8Very high93.4Very high28 Ų2843.1 Ų43.129%0.28923%0.231SC..Hα-helixtrans-61.4-40.3178.900000114.7S155 Y163S155-G159 PolarHBondContact O-N 3.26Å; G159-Y163 VanDerWaalsContact O-CB 3.28Å; G159-Y163 WeakPolarHBondContact O-CB 3.43Å; G159-Y163 PolarHBondContact O-N 3.48Å
160R95.7Very high94Very high23 Ų2337.9 Ų37.99%0.08721%0.211CC..Hα-helixtrans-69.8-41.3178.3-74.2173.4176.6-79.95.3111.9E88 T150 F156 S158 A162 Y163 T164E88-R160 IonicContact OE1-CZ 2.82Å; E88-R160 IonicContact OE1-NH1 3.8Å; E88-R160 PolarHBondContact OE1-NH1 3.39Å; E88-R160 IonicContact OE1-NH2 2.72Å; E88-R160 PolarHBondContact OE1-NH2 3.08Å; T150-R160 PolarHBondContact O-NE 3.28Å; T150-R160 PolarHBondContact O-NH2 2.87Å; F156-R160 HydrophobicContact CB-CG 4.32Å; F156-R160 WeakPolarHBondContact O-CB 3.3Å; F156-R160 WeakPolarHBondContact O-CG 3.44Å; F156-R160 PolarHBondContact O-N 2.95Å; S158-R160 PolarHBondContact O-N 3.06Å; R160-A162 PolarHBondContact O-N 3.37Å; R160-Y163 PolarHBondContact O-N 3.48Å; R160-T164 WeakPolarHBondContact O-CB 3.45Å; R160-T164 PolarHBondContact O-N 3.23Å; R160-T164 PolarHBondContact O-OG1 3Å; R160-T164 VanDerWaalsContact O-OG1 3.14Å
161V97.5Very high94.6Very high0 Ų038.4 Ų38.40%022%0.22CC..Hα-helixtrans-60.8-44.9174.4174.10000111L99 L100 V124 S158 L165 L201L99-V161 HydrophobicContact CB-CG2 4.14Å; L100-V161 HydrophobicContact CD2-CG2 4.05Å; L100-V161 HydrophobicContact CG-CG2 4.37Å; V124-V161 HydrophobicContact CG1-CB 4.03Å; V124-V161 HydrophobicContact CG1-CG1 3.92Å; V124-V161 HydrophobicContact CG2-CG1 4.18Å; S158-V161 PolarHBondContact O-N 3.31Å; V161-L165 HydrophobicContact CG1-CD1 3.94Å; V161-L165 WeakPolarHBondContact O-CB 3.49Å; V161-L165 WeakPolarHBondContact O-CG 3.12Å; V161-L165 PolarHBondContact O-N 2.9Å; V161-L201 HydrophobicContact CG1-CD1 3.73Å
162A97.6Very high95.1Very high12 Ų1240.7 Ų40.710%0.09923%0.234CC..Hα-helixtrans-64.3-43.3175.800000112.6V124 S158 R160 G166 L167 A171V124-A162 HydrophobicContact CG2-CB 4.08Å; S158-A162 PolarHBondContact O-N 3.4Å; R160-A162 PolarHBondContact O-N 3.37Å; A162-G166 PolarHBondContact O-N 3.48Å; A162-L167 HydrophobicContact CB-CB 4.35Å; A162-L167 PolarHBondContact O-N 2.9Å; A162-A171 HydrophobicContact CB-CB 4.06Å
163Y94.8Very high95.5Very high198 Ų19842.2 Ų42.278%0.77624%0.243SC*.Hα-helixtrans-61.8-53.2178.1173.9-101.7000112.5G159 R160 L165 G166G159-Y163 VanDerWaalsContact O-CB 3.28Å; G159-Y163 WeakPolarHBondContact O-CB 3.43Å; G159-Y163 PolarHBondContact O-N 3.48Å; R160-Y163 PolarHBondContact O-N 3.48Å; Y163-L165 VanDerWaalsContact C-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.85Å; Y163-G166 PolarHBondContact O-N 3.04Å; Y163-G166 VanDerWaalsContact O-N 3.16Å
164T92.4Very high95.8Very high45 Ų4541.6 Ų41.628%0.27624%0.238SC..Hα-helixtrans-71.5-23.1-173.6-53.80000113.2F82 R160F82-T164 HydrophobicContact CB-CG2 4.41Å; F82-T164 HydrophobicContact CD1-CG2 3.87Å; R160-T164 WeakPolarHBondContact O-CB 3.45Å; R160-T164 PolarHBondContact O-N 3.23Å; R160-T164 PolarHBondContact O-OG1 3Å; R160-T164 VanDerWaalsContact O-OG1 3.14Å
165L92.5Very high96.1Very high15 Ų1544 Ų448%0.07925%0.25CS..Hα-helixtrans-96.2-1.8173.8-65.5173000113.6W104 I107 P114 V161 Y163 L167 L201W104-L165 HydrophobicContact CE3-CD2 3.69Å; W104-L165 HydrophobicContact CZ3-CD2 3.86Å; I107-L165 HydrophobicContact CD1-CD1 3.62Å; I107-L165 HydrophobicContact CD1-CD2 4.38Å; P114-L165 HydrophobicContact CB-CD2 3.91Å; V161-L165 HydrophobicContact CG1-CD1 3.94Å; V161-L165 WeakPolarHBondContact O-CB 3.49Å; V161-L165 WeakPolarHBondContact O-CG 3.12Å; V161-L165 PolarHBondContact O-N 2.9Å; Y163-L165 VanDerWaalsContact C-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.85Å; L165-L167 HydrophobicContact CB-CD1 3.87Å; L165-L167 HydrophobicContact CB-CD2 3.79Å; L165-L167 HydrophobicContact CB-CG 3.63Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å; L165-L167 WeakPolarHBondContact O-CD2 3.43Å; L165-L201 HydrophobicContact CD1-CD1 4.11Å
166G93.6Very high96.2Very high27 Ų2741.5 Ų41.528%0.27823%0.232SC..THydrogen-bonded Turntrans67.337178.800000114.7A118 E119 A162 Y163 H168A118-G166 CarbonylContact C-O 3.5Å; A118-G166 WeakPolarHBondContact CA-O 3.23Å; E119-G166 PolarHBondContact N-O 3.27Å; A162-G166 PolarHBondContact O-N 3.48Å; Y163-G166 PolarHBondContact O-N 3.04Å; Y163-G166 VanDerWaalsContact O-N 3.16Å; G166-H168 PolarHBondContact O-CD2 2.68Å
167L97.7Very high96.2Very high15 Ų1539.1 Ų39.18%0.07923%0.226CC..  trans-95.1141.5-171.3-45.4-180000112.6L117 T122 V124 A162 L165 L201L117-L167 HydrophobicContact CB-CD2 3.75Å; L117-L167 WeakPolarHBondContact O-CD2 3.42Å; T122-L167 HydrophobicContact CG2-CD1 3.85Å; T122-L167 HydrophobicContact CG2-CD2 4.45Å; V124-L167 HydrophobicContact CG2-CD1 3.82Å; A162-L167 HydrophobicContact CB-CB 4.35Å; A162-L167 PolarHBondContact O-N 2.9Å; L165-L167 HydrophobicContact CB-CD1 3.87Å; L165-L167 HydrophobicContact CB-CD2 3.79Å; L165-L167 HydrophobicContact CB-CG 3.63Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å; L165-L167 WeakPolarHBondContact O-CD2 3.43Å; L167-L201 HydrophobicContact CD1-CD1 4.3Å
168H96.7Very high96.3Very high116 Ų11639.9 Ų39.954%0.53723%0.231SC..  trans-115.96.4-174.5-70.2-106.3000114.7S120 Q121 G166S120-H168 PolarHBondContact O-N 2.69Å; Q121-H168 PolarHBondContact NE2-O 3.37Å; Q121-H168 VanDerWaalsContact NE2-O 3.11Å; Q121-H168 PolarHBondContact OE1-O 2.94Å; G166-H168 PolarHBondContact O-CD2 2.68Å
169G96.3Very high96.3Very high13 Ų1339.8 Ų39.813%0.13423%0.23CC..SBendtrans-78.517916900000112.9T122 A171T122-G169 VanDerWaalsContact O-CA 3.24Å; T122-G169 WeakPolarHBondContact O-CA 3.19Å; T122-G169 PolarHBondContact O-N 2.68Å; T122-G169 VanDerWaalsContact O-N 3.08Å; G169-A171 PolarHBondContact O-N 2.97Å
170P97.7Very high96.3Very high37 Ų3738.5 Ų38.524%0.2422%0.216CC..  trans-65.1124.5-179.7-2134.1000112.1G123 V124 F125 V172 E196 S197G123-P170 CarbonylContact C-O 3.58Å; G123-P170 WeakPolarHBondContact CA-O 3.47Å; V124-P170 PolarHBondContact N-O 2.88Å; F125-P170 HydrophobicContact CZ-CB 4.05Å; F125-P170 HydrophobicContact CZ-CG 4.44Å; P170-V172 HydrophobicContact CB-CG2 4.27Å; P170-E196 HydrophobicContact CG-CB 4.06Å; P170-S197 WeakPolarHBondContact CD-OG 3.5Å
171A98.2Very high96.4Very high49 Ų4937.4 Ų37.441%0.40521%0.212SC..EExtended strand (participates in β ladder)trans-98.8111.6170.100000109.6V124 A162 G169V124-A171 WeakPolarHBondContact O-CA 3.43Å; A162-A171 HydrophobicContact CB-CB 4.06Å; G169-A171 PolarHBondContact O-N 2.97Å
172V98.2Very high96.5Very high48 Ų4837.4 Ų37.429%0.29121%0.213SC..EExtended strand (participates in β ladder)trans-132121.6-172.8-176.60000110.4V124 F125 V126 S158 P170V124-V172 PolarHBondContact O-N 3.12Å; F125-V172 WeakPolarHBondContact CA-O 3.35Å; F125-V172 HydrophobicContact CD1-CB 3.9Å; F125-V172 HydrophobicContact CD1-CG2 4.18Å; F125-V172 HydrophobicContact CE1-CB 4.14Å; F125-V172 HydrophobicContact CE1-CG2 3.88Å; V126-V172 PolarHBondContact N-O 3.32Å; S158-V172 VanDerWaalsContact OG-C 3.26Å; S158-V172 PolarHBondContact OG-N 3.15Å; P170-V172 HydrophobicContact CB-CG2 4.27Å
173T98.2Very high96.5Very high35 Ų3537.3 Ų37.322%0.21521%0.211CC..EExtended strand (participates in β ladder)trans-101.4132.6163.2-48.20000109V126 L128 N154 A157 S158V126-T173 HydrophobicContact CB-CG2 4.36Å; V126-T173 HydrophobicContact CG1-CG2 4.24Å; V126-T173 CarbonylContact O-C 3.6Å; V126-T173 VanDerWaalsContact O-CA 3.31Å; V126-T173 WeakPolarHBondContact O-CA 3.19Å; L128-T173 HydrophobicContact CB-CG2 3.78Å; N154-T173 HydrophobicContact CB-CG2 4.15Å; N154-T173 VanDerWaalsContact O-CB 3.25Å; N154-T173 WeakPolarHBondContact O-CB 3.3Å; N154-T173 VanDerWaalsContact O-CG2 3.32Å; N154-T173 WeakPolarHBondContact O-CG2 3.33Å; N154-T173 PolarHBondContact O-OG1 3.13Å; A157-T173 HydrophobicContact CB-CG2 4.32Å; S158-T173 PolarHBondContact N-OG1 3.04Å; S158-T173 PolarHBondContact OG-N 2.96Å; S158-T173 PolarHBondContact OG-OG1 2.9Å
174V96.7Very high96.7Very high19 Ų1927.9 Ų27.912%0.11517%0.174CC..EExtended strand (participates in β ladder)trans-127.8137.5-174.462.80000111.8V126 G127 L128 T176 S180 T183 A184V126-V174 PolarHBondContact O-N 3.16Å; G127-V174 WeakPolarHBondContact CA-O 3.4Å; L128-V174 PolarHBondContact N-O 3.17Å; V174-T176 HydrophobicContact CG2-CG2 4.21Å; V174-S180 WeakPolarHBondContact O-CB 3.48Å; V174-T183 HydrophobicContact CG1-CG2 4.45Å; V174-T183 HydrophobicContact CG2-CG2 3.94Å; V174-A184 HydrophobicContact CG1-CB 3.92Å
175D96.9Very high97Very high98 Ų9825.8 Ų25.852%0.52416%0.161SC..  trans-116.2116.8169.5177.622.8000110.1A177D175-A177 WeakPolarHBondContact OD1-CA 3.44Å; D175-A177 PolarHBondContact OD1-N 3.04Å
176T96.2Very high97.3Very high21 Ų2126.8 Ų26.813%0.12917%0.165CC..  trans-130.935.5163.963.80000110.2V174 S179 S180 T183 G416 T420V174-T176 HydrophobicContact CG2-CG2 4.21Å; T176-S179 PolarHBondContact O-OG 2.86Å; T176-S179 PolarHBondContact OG1-OG 2.88Å; T176-S180 PolarHBondContact N-OG 3.46Å; T176-S180 WeakPolarHBondContact OG1-CA 3.33Å; T176-S180 PolarHBondContact OG1-N 3.26Å; T176-T183 HydrophobicContact CG2-CG2 4.01Å; T176-T183 PolarHBondContact OG1-OG1 3.24Å; T176-G416 VanDerWaalsContact O-CA 3.3Å; T176-G416 WeakPolarHBondContact O-CA 3.2Å; T176-T420 HydrophobicContact CG2-CG2 4.03Å
177A94.5Very high97.5Very high20 Ų2028.6 Ų28.617%0.16517%0.166CC..G310 helixtrans51.9-132.2-16900000111.9T129 D175 S179 S180 M417T129-A177 WeakPolarHBondContact CG2-O 3.37Å; D175-A177 WeakPolarHBondContact OD1-CA 3.44Å; D175-A177 PolarHBondContact OD1-N 3.04Å; A177-S179 PolarHBondContact O-N 3.28Å; A177-S180 PolarHBondContact N-OG 3.15Å; A177-S180 WeakPolarHBondContact O-CB 3.46Å; A177-S180 PolarHBondContact O-N 3.42Å; A177-S180 PolarHBondContact O-OG 2.88Å; A177-M417 HydrophobicContact CB-CG 3.84Å
178C95.8Very high97.5Very high16 Ų1627.9 Ų27.911%0.10816%0.162CC..G310 helixtrans-64-7.9-173.6-58.50000116.2H349 S414 Y415C178-H349 WeakPolarHBondContact CB-NE2 3.27Å; C178-H349 PolarHBondContact SG-NE2 3.45Å; C178-S414 PolarHBondContact O-OG 3.49Å; C178-Y415 CarbonylContact C-O 3.51Å; C178-Y415 VanDerWaalsContact CB-O 3.3Å; C178-Y415 WeakPolarHBondContact CB-O 3.19Å
179S97.6Very high97.6Very high1 Ų122.7 Ų22.71%0.00714%0.139CC..G310 helixtrans-93.1-7170.4540000114.6T176 A177 G181 L182 T183 S414 G416 T420T176-S179 PolarHBondContact O-OG 2.86Å; T176-S179 PolarHBondContact OG1-OG 2.88Å; A177-S179 PolarHBondContact O-N 3.28Å; S179-G181 PolarHBondContact O-N 3.02Å; S179-L182 WeakPolarHBondContact O-CA 3.3Å; S179-L182 PolarHBondContact O-N 2.61Å; S179-T183 PolarHBondContact O-N 2.95Å; S179-T183 PolarHBondContact O-OG1 2.56Å; S179-S414 WeakPolarHBondContact CB-O 3.36Å; S179-G416 PolarHBondContact OG-N 3.33Å; S179-T420 WeakPolarHBondContact CB-O 3.45Å; S179-T420 PolarHBondContact OG-O 2.96Å
180S98.3Very high97.6Very high0 Ų025.7 Ų25.70%015%0.146CC..Hα-helixtrans-48.3-50.5-167-59.50000115.6T129 V174 T176 A177 L182 T183 A184T129-S180 WeakPolarHBondContact CG2-OG 3.34Å; V174-S180 WeakPolarHBondContact O-CB 3.48Å; T176-S180 PolarHBondContact N-OG 3.46Å; T176-S180 WeakPolarHBondContact OG1-CA 3.33Å; T176-S180 PolarHBondContact OG1-N 3.26Å; A177-S180 PolarHBondContact N-OG 3.15Å; A177-S180 WeakPolarHBondContact O-CB 3.46Å; A177-S180 PolarHBondContact O-N 3.42Å; A177-S180 PolarHBondContact O-OG 2.88Å; S180-L182 VanDerWaalsContact C-N 3.3Å; S180-L182 PolarHBondContact O-N 3.01Å; S180-T183 WeakPolarHBondContact O-CB 3.45Å; S180-T183 PolarHBondContact O-N 3.24Å; S180-A184 PolarHBondContact O-N 2.69Å
181G97.7Very high97.6Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-69.8-25.8-179.500000113.8S179 V185 S352S179-G181 PolarHBondContact O-N 3.02Å; G181-V185 WeakPolarHBondContact O-CG2 3.47Å; G181-V185 PolarHBondContact O-N 2.85Å; G181-V185 VanDerWaalsContact O-N 3.15Å; G181-S352 VanDerWaalsContact CA-O 3.25Å; G181-S352 WeakPolarHBondContact CA-O 3.43Å; G181-S352 PolarHBondContact N-O 2.69Å; G181-S352 VanDerWaalsContact N-O 3.08Å
182L98.2Very high97.5Very high1 Ų121.7 Ų21.71%0.00512%0.116CC..Hα-helixtrans-79.9-33.7173.1-161.860.5000110.9S179 S180 A184 V185 H186 L359 V412 V422 A424S179-L182 WeakPolarHBondContact O-CA 3.3Å; S179-L182 PolarHBondContact O-N 2.61Å; S180-L182 VanDerWaalsContact C-N 3.3Å; S180-L182 PolarHBondContact O-N 3.01Å; L182-A184 VanDerWaalsContact C-N 3.32Å; L182-V185 PolarHBondContact O-N 3.34Å; L182-H186 WeakPolarHBondContact O-CB 3.47Å; L182-H186 PolarHBondContact O-N 3.47Å; L182-L359 HydrophobicContact CD1-CD1 3.51Å; L182-L359 HydrophobicContact CD1-CG 4.09Å; L182-V412 HydrophobicContact CD2-CG1 4.5Å; L182-V422 HydrophobicContact CB-CB 4.27Å; L182-V422 HydrophobicContact CB-CG1 4.28Å; L182-V422 HydrophobicContact CD2-CB 4Å; L182-V422 HydrophobicContact CD2-CG1 4.11Å; L182-V422 WeakPolarHBondContact CD2-O 3.48Å; L182-V422 HydrophobicContact CG-CB 4.03Å; L182-V422 HydrophobicContact CG-CG1 3.75Å; L182-A424 HydrophobicContact CD1-CB 4.3Å
183T98.6Very high97.3Very high10 Ų1021.8 Ų21.86%0.06112%0.115CC..Hα-helixtrans-59.1-42.6166.8-53.20000111.1V174 T176 S179 S180 H186 Q187 V422V174-T183 HydrophobicContact CG1-CG2 4.45Å; V174-T183 HydrophobicContact CG2-CG2 3.94Å; T176-T183 HydrophobicContact CG2-CG2 4.01Å; T176-T183 PolarHBondContact OG1-OG1 3.24Å; S179-T183 PolarHBondContact O-N 2.95Å; S179-T183 PolarHBondContact O-OG1 2.56Å; S180-T183 WeakPolarHBondContact O-CB 3.45Å; S180-T183 PolarHBondContact O-N 3.24Å; T183-H186 WeakPolarHBondContact O-CB 3.47Å; T183-H186 PolarHBondContact O-N 2.99Å; T183-Q187 WeakPolarHBondContact O-CG 3.41Å; T183-Q187 PolarHBondContact O-N 2.75Å; T183-V422 WeakPolarHBondContact OG1-CG2 3.36Å
184A98.5Very high97Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-61.6-45.1175.300000112.1F125 V174 S180 L182 H186 Q187 A188F125-A184 HydrophobicContact CB-CB 4.05Å; F125-A184 WeakPolarHBondContact CB-O 3.18Å; V174-A184 HydrophobicContact CG1-CB 3.92Å; S180-A184 PolarHBondContact O-N 2.69Å; L182-A184 VanDerWaalsContact C-N 3.32Å; A184-H186 PolarHBondContact O-N 3.41Å; A184-Q187 PolarHBondContact O-N 3.39Å; A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 2.9Å
185V98.5Very high96.7Very high0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-63.4-38.5173.6172.30000112.1G181 L182 C189 A202 L248 L250 L359G181-V185 WeakPolarHBondContact O-CG2 3.47Å; G181-V185 PolarHBondContact O-N 2.85Å; G181-V185 VanDerWaalsContact O-N 3.15Å; L182-V185 PolarHBondContact O-N 3.34Å; V185-C189 WeakPolarHBondContact O-CB 3.42Å; V185-C189 PolarHBondContact O-N 3.46Å; V185-C189 PolarHBondContact O-SG 2.87Å; V185-A202 HydrophobicContact CB-CB 4.47Å; V185-A202 HydrophobicContact CG2-CB 3.82Å; V185-L248 HydrophobicContact CG2-CD1 4.32Å; V185-L250 HydrophobicContact CG1-CD1 4.36Å; V185-L359 HydrophobicContact CB-CD1 4.18Å; V185-L359 HydrophobicContact CG1-CD1 3.93Å; V185-L359 HydrophobicContact CG2-CD1 3.85Å
186H98.3Very high96.7Very high36 Ų3627.9 Ų27.917%0.16715%0.154CC..Hα-helixtrans-62.3-45.3173.6174.362.4000111.9L182 T183 A184 C189 R190 T270 V422L182-H186 WeakPolarHBondContact O-CB 3.47Å; L182-H186 PolarHBondContact O-N 3.47Å; T183-H186 WeakPolarHBondContact O-CB 3.47Å; T183-H186 PolarHBondContact O-N 2.99Å; A184-H186 PolarHBondContact O-N 3.41Å; H186-C189 PolarHBondContact O-N 3.47Å; H186-R190 WeakPolarHBondContact O-CG 3.41Å; H186-R190 PolarHBondContact O-N 2.92Å; H186-T270 PolarHBondContact ND1-OG1 3.29Å; H186-V422 HydrophobicContact CB-CG1 4.11Å
187Q98.3Very high96.7Very high65 Ų6526.9 Ų26.930%0.30415%0.148SC..Hα-helixtrans-64.8-42.6176.6-73.6178.7-10.800112.4F125 T183 A184 C189 R190 S191F125-Q187 HydrophobicContact CD1-CB 3.72Å; F125-Q187 HydrophobicContact CE1-CB 3.96Å; T183-Q187 WeakPolarHBondContact O-CG 3.41Å; T183-Q187 PolarHBondContact O-N 2.75Å; A184-Q187 PolarHBondContact O-N 3.39Å; Q187-C189 VanDerWaalsContact C-N 3.32Å; Q187-C189 PolarHBondContact O-N 3.16Å; Q187-R190 WeakPolarHBondContact O-CB 3.38Å; Q187-R190 PolarHBondContact O-N 2.69Å; Q187-R190 VanDerWaalsContact O-N 3.11Å; Q187-S191 WeakPolarHBondContact O-CB 3.39Å; Q187-S191 PolarHBondContact O-N 3.39Å
188A98.4Very high96.8Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-59.3-42.6173.600000112F125 A184 R190 S191 L192 A200 A202 L250F125-A188 HydrophobicContact CB-CB 4.17Å; F125-A188 HydrophobicContact CD2-CB 3.53Å; F125-A188 HydrophobicContact CE2-CB 4.08Å; F125-A188 HydrophobicContact CG-CB 3.87Å; A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 2.9Å; A188-R190 VanDerWaalsContact C-N 3.32Å; A188-R190 PolarHBondContact O-N 2.76Å; A188-S191 PolarHBondContact O-N 3.49Å; A188-L192 WeakPolarHBondContact O-CB 3.25Å; A188-L192 WeakPolarHBondContact O-CG 3.37Å; A188-L192 PolarHBondContact O-N 2.98Å; A188-A200 HydrophobicContact CB-CB 3.98Å; A188-A202 HydrophobicContact CB-CB 3.63Å; A188-L250 HydrophobicContact CB-CD1 3.93Å
189C98Very high96.8Very high7 Ų730 Ų305%0.04716%0.161CC..Hα-helixtrans-65.3-31.9175.1-66.60000113V9 V185 H186 Q187 D193V9-C189 HydrophobicContact CG2-CB 4.33Å; V185-C189 WeakPolarHBondContact O-CB 3.42Å; V185-C189 PolarHBondContact O-N 3.46Å; V185-C189 PolarHBondContact O-SG 2.87Å; H186-C189 PolarHBondContact O-N 3.47Å; Q187-C189 VanDerWaalsContact C-N 3.32Å; Q187-C189 PolarHBondContact O-N 3.16Å; C189-D193 WeakPolarHBondContact O-CB 3.33Å; C189-D193 PolarHBondContact O-N 3.37Å
190R96.2Very high96.9Very high76 Ų7629.9 Ų29.929%0.28716%0.16SC..Hα-helixtrans-68.6-51.9171-69.6-7486.3-125.65111.1H186 Q187 A188 L192 D193 D194H186-R190 WeakPolarHBondContact O-CG 3.41Å; H186-R190 PolarHBondContact O-N 2.92Å; Q187-R190 WeakPolarHBondContact O-CB 3.38Å; Q187-R190 PolarHBondContact O-N 2.69Å; Q187-R190 VanDerWaalsContact O-N 3.11Å; A188-R190 VanDerWaalsContact C-N 3.32Å; A188-R190 PolarHBondContact O-N 2.76Å; R190-L192 PolarHBondContact O-N 3.07Å; R190-D193 IonicContact CZ-OD2 3.27Å; R190-D193 IonicContact NH1-OD2 3.94Å; R190-D193 PolarHBondContact NH1-OD2 2.9Å; R190-D193 IonicContact NH2-OD2 2.9Å; R190-D193 PolarHBondContact NH2-OD2 3.46Å; R190-D193 WeakPolarHBondContact O-CA 3.48Å; R190-D193 PolarHBondContact O-N 2.95Å; R190-D194 IonicContact NH1-OD1 2.79Å; R190-D194 IonicContact NH1-OD2 2.72Å; R190-D194 PolarHBondContact NH1-OD2 2.87Å; R190-D194 VanDerWaalsContact NH1-OD2 3.13Å; R190-D194 WeakPolarHBondContact O-CB 3.34Å; R190-D194 PolarHBondContact O-N 3.34Å; R190-D194 VanDerWaalsContact O-OD2 3.14Å
191S97.6Very high96.9Very high3 Ų330 Ų302%0.02116%0.161CC..Hα-helixtrans-58.9-33.9-178.6-162.70000113.1F125 Q187 A188 G195 E196 S197F125-S191 VanDerWaalsContact CZ-CB 3.49Å; Q187-S191 WeakPolarHBondContact O-CB 3.39Å; Q187-S191 PolarHBondContact O-N 3.39Å; A188-S191 PolarHBondContact O-N 3.49Å; S191-G195 PolarHBondContact O-N 2.88Å; S191-G195 VanDerWaalsContact O-N 3.16Å; S191-E196 PolarHBondContact O-N 3.27Å; S191-E196 WeakPolarHBondContact OG-CB 3.31Å; S191-E196 PolarHBondContact OG-OE2 2.78Å; S191-S197 PolarHBondContact O-N 3.19Å; S191-S197 VanDerWaalsContact O-N 3.14Å; S191-S197 PolarHBondContact OG-OG 3.25Å
192L97.4Very high97Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-69.8-39.4170.5-74.3170.8000113.5V9 A188 R190 A200 L250 R252V9-L192 HydrophobicContact CG1-CD1 3.8Å; V9-L192 HydrophobicContact CG2-CB 4.44Å; V9-L192 HydrophobicContact CG2-CD1 4.01Å; A188-L192 WeakPolarHBondContact O-CB 3.25Å; A188-L192 WeakPolarHBondContact O-CG 3.37Å; A188-L192 PolarHBondContact O-N 2.98Å; R190-L192 PolarHBondContact O-N 3.07Å; L192-A200 HydrophobicContact CD1-CB 4.19Å; L192-A200 HydrophobicContact CD2-CB 4.41Å; L192-A200 HydrophobicContact CG-CB 4.19Å; L192-L250 HydrophobicContact CD1-CB 3.77Å; L192-R252 HydrophobicContact CB-CG 4.2Å; L192-R252 VanDerWaalsContact O-CD 3.25Å; L192-R252 WeakPolarHBondContact O-CD 3.12Å; L192-R252 PolarHBondContact O-NH1 2.88Å
193D93.6Very high97Very high49 Ų4930 Ų3026%0.26216%0.162SC..Hα-helixtrans-76.2-37.3-178.6-172.156.6000112.5T7 C189 R190T7-D193 WeakPolarHBondContact CA-OD1 3.19Å; T7-D193 WeakPolarHBondContact CB-OD1 3.29Å; T7-D193 PolarHBondContact N-OD1 2.91Å; T7-D193 PolarHBondContact OG1-OD1 2.72Å; C189-D193 WeakPolarHBondContact O-CB 3.33Å; C189-D193 PolarHBondContact O-N 3.37Å; R190-D193 IonicContact CZ-OD2 3.27Å; R190-D193 IonicContact NH1-OD2 3.94Å; R190-D193 PolarHBondContact NH1-OD2 2.9Å; R190-D193 IonicContact NH2-OD2 2.9Å; R190-D193 PolarHBondContact NH2-OD2 3.46Å; R190-D193 WeakPolarHBondContact O-CA 3.48Å; R190-D193 PolarHBondContact O-N 2.95Å
194D91.7Very high96.9Very high113 Ų11329.6 Ų29.660%0.60416%0.159SC*.Hα-helixtrans-83.9-12.8178.7-66.2-58.2000112.7R190R190-D194 IonicContact NH1-OD1 2.79Å; R190-D194 IonicContact NH1-OD2 2.72Å; R190-D194 PolarHBondContact NH1-OD2 2.87Å; R190-D194 VanDerWaalsContact NH1-OD2 3.13Å; R190-D194 WeakPolarHBondContact O-CB 3.34Å; R190-D194 PolarHBondContact O-N 3.34Å; R190-D194 VanDerWaalsContact O-OD2 3.14Å
195G91.4Very high96.9Very high52 Ų5229.6 Ų29.654%0.53616%0.159SC..THydrogen-bonded Turntrans88.917.4168.700000116.2S191S191-G195 PolarHBondContact O-N 2.88Å; S191-G195 VanDerWaalsContact O-N 3.16Å
196E95.3Very high96.8Very high115 Ų11529.6 Ų29.654%0.53716%0.159SC..SBendtrans-76.7-29.5171.9-61.2174.514800112.3Q121 P170 S191Q121-E196 PolarHBondContact NE2-O 3.31Å; P170-E196 HydrophobicContact CG-CB 4.06Å; S191-E196 PolarHBondContact O-N 3.27Å; S191-E196 WeakPolarHBondContact OG-CB 3.31Å; S191-E196 PolarHBondContact OG-OE2 2.78Å
197S97.4Very high96.7Very high0 Ų028 Ų280%015%0.151CC..  trans-118.1142177.8-60.30000110.4Q121 P170 S191 R252Q121-S197 WeakPolarHBondContact O-CA 3.25Å; P170-S197 WeakPolarHBondContact CD-OG 3.5Å; S191-S197 PolarHBondContact O-N 3.19Å; S191-S197 VanDerWaalsContact O-N 3.14Å; S191-S197 PolarHBondContact OG-OG 3.25Å; S197-R252 PolarHBondContact O-NH1 2.88Å
198D95Very high96.4Very high86 Ų8625.2 Ų25.246%0.4614%0.139SC..SBendtrans-96-27.7166.8-75-42.2000112.3Q121 R252Q121-D198 PolarHBondContact O-N 2.81Å; D198-R252 IonicContact OD1-CZ 3.37Å; D198-R252 IonicContact OD1-NH1 3.13Å; D198-R252 IonicContact OD1-NH2 2.75Å; D198-R252 PolarHBondContact OD1-NH2 2.94Å
199L97.5Very high96.1Very high15 Ų1525.7 Ų25.78%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-140.5151.6177.7-170.672.8000107.1I12 L117 T122 G123 L249 L250 K251I12-L199 HydrophobicContact CD1-CD1 3.99Å; L117-L199 HydrophobicContact CD1-CD2 3.97Å; L117-L199 HydrophobicContact CD2-CD2 3.6Å; L117-L199 HydrophobicContact CG-CD2 4.47Å; T122-L199 CarbonylContact C-O 3.6Å; T122-L199 VanDerWaalsContact CA-O 3.25Å; T122-L199 WeakPolarHBondContact CA-O 3.33Å; T122-L199 HydrophobicContact CG2-CB 4.04Å; T122-L199 HydrophobicContact CG2-CD2 4.03Å; T122-L199 HydrophobicContact CG2-CG 4.11Å; G123-L199 PolarHBondContact N-O 2.6Å; L199-L249 HydrophobicContact CD1-CD1 4.22Å; L199-L249 HydrophobicContact CD1-CD2 4.29Å; L199-L249 HydrophobicContact CD1-CG 4.06Å; L199-L249 HydrophobicContact CD2-CD1 3.97Å; L199-L249 HydrophobicContact CD2-CD2 4.29Å; L199-L249 HydrophobicContact CD2-CG 4.44Å; L199-L249 HydrophobicContact CG-CD1 3.86Å; L199-L249 HydrophobicContact CG-CG 4.26Å; L199-L250 CarbonylContact C-O 3.58Å; L199-L250 WeakPolarHBondContact CA-O 3.23Å; L199-L250 WeakPolarHBondContact CD1-O 3.33Å; L199-K251 HydrophobicContact CD1-CB 3.89Å; L199-K251 HydrophobicContact CD1-CD 3.97Å; L199-K251 HydrophobicContact CD1-CG 4.02Å
200A98.5Very high95.6Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-145.6128177.600000112.8G123 F125 A188 L192 L250G123-A200 CarbonylContact O-C 3.05Å; G123-A200 WeakPolarHBondContact O-CA 3.45Å; F125-A200 HydrophobicContact CD2-CB 4.31Å; F125-A200 HydrophobicContact CE2-CB 4.3Å; A188-A200 HydrophobicContact CB-CB 3.98Å; L192-A200 HydrophobicContact CD1-CB 4.19Å; L192-A200 HydrophobicContact CD2-CB 4.41Å; L192-A200 HydrophobicContact CG-CB 4.19Å; A200-L250 HydrophobicContact CB-CB 4.43Å; A200-L250 PolarHBondContact N-O 3.37Å; A200-L250 WeakPolarHBondContact O-CB 3.48Å; A200-L250 PolarHBondContact O-N 3.27Å
201L98.8Very high95.1Very high2 Ų222 Ų221%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-77.9128.6161.1-72.7164.2000108.3A106 I107 G123 V124 F125 V161 L165 L167 V247 L248 L249A106-L201 HydrophobicContact CB-CD2 4.37Å; I107-L201 HydrophobicContact CD1-CD1 4.3Å; I107-L201 HydrophobicContact CD1-CD2 4.45Å; I107-L201 HydrophobicContact CG1-CD2 4.23Å; G123-L201 PolarHBondContact O-N 3.38Å; V124-L201 HydrophobicContact CG2-CD1 4.27Å; F125-L201 PolarHBondContact N-O 3.06Å; V161-L201 HydrophobicContact CG1-CD1 3.73Å; L165-L201 HydrophobicContact CD1-CD1 4.11Å; L167-L201 HydrophobicContact CD1-CD1 4.3Å; L201-V247 HydrophobicContact CB-CG1 4.29Å; L201-V247 HydrophobicContact CD2-CG1 3.74Å; L201-L248 WeakPolarHBondContact CA-O 3.43Å; L201-L249 HydrophobicContact CD2-CD1 3.65Å; L201-L249 HydrophobicContact CG-CD1 3.86Å
202A98.8Very high94.5Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-140.5127.4-179.900000111.3F125 V185 A188 L248 L250F125-A202 WeakPolarHBondContact O-CA 3.37Å; V185-A202 HydrophobicContact CB-CB 4.47Å; V185-A202 HydrophobicContact CG2-CB 3.82Å; A188-A202 HydrophobicContact CB-CB 3.63Å; A202-L248 PolarHBondContact N-O 3.06Å; A202-L248 WeakPolarHBondContact O-CB 3.11Å; A202-L248 PolarHBondContact O-N 3.04Å; A202-L250 HydrophobicContact CB-CD1 3.62Å; A202-L250 HydrophobicContact CB-CG 4.25Å
203G98.3Very high93.9Very high2 Ų231.4 Ų31.42%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-172.6-163.2-173.100000115.1F125 G127 V246F125-G203 PolarHBondContact O-N 2.96Å; G127-G203 PolarHBondContact N-O 3.03Å; G203-V246 CarbonylContact C-O 3.55Å; G203-V246 WeakPolarHBondContact CA-O 3.42Å
204G98.1Very high93.5Very high0 Ų029.9 Ų29.90%016%0.157CC..EExtended strand (participates in β ladder)trans-162.7156.8176.100000112G127 V246 A353G127-G204 VanDerWaalsContact O-CA 3.27Å; G127-G204 WeakPolarHBondContact O-CA 3.18Å; G204-V246 PolarHBondContact N-O 3.12Å; G204-V246 PolarHBondContact O-N 2.85Å; G204-A353 WeakPolarHBondContact O-CB 3.38Å
205V98.3Very high93.4Very high0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-139.3149.4-177.363.60000110.8Q95 L98 L99 G127 L128 G244 C245 S352Q95-V205 HydrophobicContact CB-CG1 3.82Å; Q95-V205 HydrophobicContact CB-CG2 3.94Å; Q95-V205 HydrophobicContact CG-CG1 4.44Å; Q95-V205 HydrophobicContact CG-CG2 4.16Å; L98-V205 HydrophobicContact CB-CG2 4.34Å; L98-V205 HydrophobicContact CD1-CG2 4.24Å; L99-V205 HydrophobicContact CD1-CB 4.47Å; L99-V205 HydrophobicContact CD1-CG1 3.66Å; L99-V205 HydrophobicContact CD2-CB 4.33Å; L99-V205 HydrophobicContact CD2-CG1 4.3Å; L99-V205 HydrophobicContact CG-CB 4.19Å; L99-V205 HydrophobicContact CG-CG1 3.92Å; G127-V205 PolarHBondContact O-N 2.94Å; G127-V205 VanDerWaalsContact O-N 3.17Å; L128-V205 HydrophobicContact CD1-CG1 4.15Å; L128-V205 HydrophobicContact CG-CG1 4.05Å; V205-G244 CarbonylContact C-O 3.58Å; V205-G244 WeakPolarHBondContact CA-O 3.42Å; V205-C245 HydrophobicContact CB-CB 4.27Å; V205-C245 HydrophobicContact CG2-CB 3.85Å; V205-S352 WeakPolarHBondContact O-CB 3.44Å; V205-S352 PolarHBondContact O-OG 3.23Å
206V96.7Very high93.2Very high0 Ų025.5 Ų25.50%013%0.126CC..EExtended strand (participates in β ladder)trans-150.7134.3168.960.50000110.4G242 E243 G244 L350 Q351 A353V206-G242 WeakPolarHBondContact CG1-O 3.16Å; V206-E243 WeakPolarHBondContact O-CA 3.39Å; V206-G244 PolarHBondContact N-O 2.69Å; V206-G244 PolarHBondContact O-N 3.32Å; V206-L350 HydrophobicContact CG1-CB 4.19Å; V206-L350 HydrophobicContact CG1-CG 4.44Å; V206-L350 VanDerWaalsContact CG1-O 3.29Å; V206-L350 WeakPolarHBondContact CG1-O 3.44Å; V206-Q351 HydrophobicContact CG2-CB 4.24Å; V206-Q351 HydrophobicContact CG2-CG 4.44Å; V206-A353 HydrophobicContact CG1-CB 4.34Å
207V95.5Very high92.8Very high2 Ų220.5 Ų20.51%0.01211%0.106CC..  trans-136.1138171.3-179.80000107.8L71 V74 Q95 L98 H130 L209 E243L71-V207 HydrophobicContact CD1-CG2 4.27Å; V74-V207 HydrophobicContact CB-CG1 4.15Å; V74-V207 HydrophobicContact CG1-CG1 3.73Å; Q95-V207 HydrophobicContact CG-CB 3.93Å; Q95-V207 HydrophobicContact CG-CG2 3.9Å; L98-V207 HydrophobicContact CD1-CG2 3.6Å; H130-V207 PolarHBondContact CE1-O 3.19Å; H130-V207 VanDerWaalsContact CE1-O 3.28Å; V207-L209 HydrophobicContact CG1-CD1 4.48Å; V207-L209 HydrophobicContact CG1-CD2 3.85Å; V207-L209 HydrophobicContact CG1-CG 4.03Å; V207-E243 WeakPolarHBondContact CG1-OE1 3.46Å
208T92.3Very high92.3Very high7 Ų720.9 Ų20.94%0.04311%0.108CC..  trans-114.8108.8-172.6-50.90000110.5W47 E243W47-T208 HydrophobicContact CH2-CG2 3.84Å; W47-T208 HydrophobicContact CZ3-CG2 4.2Å; T208-E243 PolarHBondContact N-OE1 3.1Å
209L91Very high91.8Very high11 Ų1121 Ų216%0.05811%0.109CC..  trans-118.5-1.9-175.8-51.6173.7000113.2V74 P94 D132 Y133 L136 V207 M880V74-L209 HydrophobicContact CG2-CD2 4.27Å; P94-L209 HydrophobicContact CG-CD1 4.5Å; D132-L209 HydrophobicContact CB-CB 3.95Å; D132-L209 PolarHBondContact OD2-N 3.17Å; Y133-L209 HydrophobicContact CD2-CD1 3.65Å; Y133-L209 HydrophobicContact CE2-CD1 4.31Å; L136-L209 HydrophobicContact CD2-CD1 4.4Å; V207-L209 HydrophobicContact CG1-CD1 4.48Å; V207-L209 HydrophobicContact CG1-CD2 3.85Å; V207-L209 HydrophobicContact CG1-CG 4.03Å; L209-M880 HydrophobicContact CD1-CE 4.07Å; L209-M880 HydrophobicContact CD2-CE 4.27Å
210E87.3Confident91.1Very high4 Ų425.5 Ų25.52%0.01913%0.129CC..  trans-129.7115.6-174.817948.1-128.200113.7D132 L135 R212 R883D132-E210 HydrophobicContact CB-CB 4.24Å; D132-E210 PolarHBondContact OD2-N 3.03Å; L135-E210 HydrophobicContact CD1-CG 4.06Å; E210-R212 VanDerWaalsContact C-N 3.29Å; E210-R212 HydrophobicContact CG-CB 4.07Å; E210-R212 HydrophobicContact CG-CG 4.48Å; E210-R212 PolarHBondContact O-N 2.82Å; E210-R212 WeakPolarHBondContact OE1-CB 3.42Å; E210-R212 VanDerWaalsContact OE1-CD 3.24Å; E210-R212 WeakPolarHBondContact OE1-CD 3.42Å; E210-R212 WeakPolarHBondContact OE1-CG 3.32Å; E210-R212 IonicContact OE1-CZ 3.38Å; E210-R212 PolarHBondContact OE1-N 2.82Å; E210-R212 VanDerWaalsContact OE1-N 3.09Å; E210-R212 IonicContact OE1-NE 2.73Å; E210-R212 PolarHBondContact OE1-NE 3.29Å; E210-R212 IonicContact OE1-NH2 3.61Å; E210-R212 IonicContact OE2-NE 2.67Å; E210-R212 IonicContact OE2-NH2 2.95Å; E210-R883 IonicContact OE2-CZ 3.32Å; E210-R883 IonicContact OE2-NH1 3.62Å; E210-R883 IonicContact OE2-NH2 3.13Å; E210-R883 PolarHBondContact OE2-NH2 2.85Å
211P87.3Confident90.4Very high2 Ų228.2 Ų28.21%0.01316%0.157CC..THydrogen-bonded Turntrans-64-23.1-177.920.7-31.9000115.3W47 Y52 K213 S214 V215W47-P211 HydrophobicContact CB-CG 4.49Å; W47-P211 HydrophobicContact CD2-CB 3.88Å; W47-P211 HydrophobicContact CD2-CG 4.06Å; W47-P211 HydrophobicContact CG-CB 4.08Å; W47-P211 HydrophobicContact CG-CG 4.02Å; W47-P211 HydrophobicContact CZ2-CB 4.25Å; Y52-P211 HydrophobicContact CD1-CB 3.89Å; Y52-P211 HydrophobicContact CD1-CG 4.11Å; Y52-P211 HydrophobicContact CD2-CB 3.81Å; Y52-P211 HydrophobicContact CD2-CG 3.89Å; Y52-P211 HydrophobicContact CE1-CB 4.1Å; Y52-P211 HydrophobicContact CE1-CG 3.79Å; Y52-P211 HydrophobicContact CE2-CB 4.04Å; Y52-P211 HydrophobicContact CE2-CG 3.56Å; Y52-P211 HydrophobicContact CG-CB 3.73Å; Y52-P211 HydrophobicContact CG-CG 4.15Å; P211-K213 PolarHBondContact O-N 2.77Å; P211-K213 VanDerWaalsContact O-N 3.07Å; P211-S214 PolarHBondContact O-N 3.32Å; P211-V215 PolarHBondContact O-N 3.36Å
212R84.5Confident90Very high141 Ų14130.1 Ų30.153%0.53217%0.167SC..Hα-helixtrans-54.5-28.7-179-75.3164.7-127.8-173.21.6113.6D139 E210 S216D139-R212 IonicContact OD2-NH2 3.01Å; E210-R212 VanDerWaalsContact C-N 3.29Å; E210-R212 HydrophobicContact CG-CB 4.07Å; E210-R212 HydrophobicContact CG-CG 4.48Å; E210-R212 PolarHBondContact O-N 2.82Å; E210-R212 WeakPolarHBondContact OE1-CB 3.42Å; E210-R212 VanDerWaalsContact OE1-CD 3.24Å; E210-R212 WeakPolarHBondContact OE1-CD 3.42Å; E210-R212 WeakPolarHBondContact OE1-CG 3.32Å; E210-R212 IonicContact OE1-CZ 3.38Å; E210-R212 PolarHBondContact OE1-N 2.82Å; E210-R212 VanDerWaalsContact OE1-N 3.09Å; E210-R212 IonicContact OE1-NE 2.73Å; E210-R212 PolarHBondContact OE1-NE 3.29Å; E210-R212 IonicContact OE1-NH2 3.61Å; E210-R212 IonicContact OE2-NE 2.67Å; E210-R212 IonicContact OE2-NH2 2.95Å; R212-S216 WeakPolarHBondContact O-CB 3.22Å; R212-S216 PolarHBondContact O-N 2.97Å
213K83.9Confident89.7Confident58 Ų5830.7 Ų30.725%0.25217%0.17SC..Hα-helixtrans-64.7-47.9173.7-71.2179.2-173.2154.40112.3H130 D132 P211 V215 S216 G217H130-K213 PolarHBondContact CD2-NZ 3.07Å; H130-K213 PolarHBondContact CE1-NZ 3.37Å; H130-K213 PolarHBondContact ND1-NZ 2.89Å; H130-K213 VanDerWaalsContact ND1-NZ 3.15Å; H130-K213 PolarHBondContact NE2-NZ 2.93Å; D132-K213 WeakPolarHBondContact OD1-CE 3.27Å; D132-K213 IonicContact OD1-NZ 2.74Å; D132-K213 PolarHBondContact OD1-NZ 3.4Å; D132-K213 IonicContact OD2-NZ 3.38Å; D132-K213 PolarHBondContact OD2-NZ 3.17Å; P211-K213 PolarHBondContact O-N 2.77Å; P211-K213 VanDerWaalsContact O-N 3.07Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 2.96Å; K213-S216 PolarHBondContact O-N 3.39Å; K213-S216 VanDerWaalsContact O-N 3.12Å; K213-G217 PolarHBondContact O-N 2.79Å
214S86.6Confident89.6Confident17 Ų1730.6 Ų30.612%0.11917%0.169CC..Hα-helixtrans-66.4-35.9-177.6-56.40000111.8P211 S218 L223P211-S214 PolarHBondContact O-N 3.32Å; S214-S218 VanDerWaalsContact O-CB 3.28Å; S214-S218 WeakPolarHBondContact O-CB 3.5Å; S214-S218 PolarHBondContact O-N 2.87Å; S214-S218 PolarHBondContact O-OG 3.06Å; S214-L223 WeakPolarHBondContact O-CD1 3.29Å
215V88.7Confident89.2Confident17 Ų1733.7 Ų33.710%0.10319%0.189CC..Hα-helixtrans-57.6-54.2167.2173.60000110.7Y52 G61 R62 P211 K213 G217 S218 L219Y52-V215 HydrophobicContact CD1-CG2 4.37Å; G61-V215 WeakPolarHBondContact O-CG2 3.48Å; R62-V215 WeakPolarHBondContact O-CA 3.37Å; P211-V215 PolarHBondContact O-N 3.36Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 2.96Å; V215-G217 PolarHBondContact O-N 3.47Å; V215-S218 WeakPolarHBondContact O-CB 3.15Å; V215-S218 PolarHBondContact O-N 2.86Å; V215-L219 HydrophobicContact CG1-CD1 4.13Å; V215-L219 WeakPolarHBondContact O-CG 3.24Å; V215-L219 PolarHBondContact O-N 3.39Å
216S86.9Confident88.9Confident57 Ų5737.3 Ų37.340%0.39921%0.211SC..Hα-helixtrans-63-38.9-178.7-171.60000113.7R212 K213 L219 Q220R212-S216 WeakPolarHBondContact O-CB 3.22Å; R212-S216 PolarHBondContact O-N 2.97Å; K213-S216 PolarHBondContact O-N 3.39Å; K213-S216 VanDerWaalsContact O-N 3.12Å; S216-L219 PolarHBondContact O-N 3.32Å; S216-Q220 WeakPolarHBondContact O-CG 3.3Å; S216-Q220 PolarHBondContact O-N 2.64Å; S216-Q220 VanDerWaalsContact O-N 3.14Å; S216-Q220 PolarHBondContact O-NE2 2.76Å; S216-Q220 VanDerWaalsContact O-NE2 3.11Å; S216-Q220 PolarHBondContact OG-NE2 3.07Å
217G86.6Confident88.6Confident10 Ų1037.3 Ų37.310%0.10321%0.211CC..Hα-helixtrans-68.2-36.6175.900000112.6K213 V215 Q220 G221 M222K213-G217 PolarHBondContact O-N 2.79Å; V215-G217 PolarHBondContact O-N 3.47Å; G217-Q220 CarbonylContact O-C 3.29Å; G217-Q220 PolarHBondContact O-N 3.17Å; G217-G221 PolarHBondContact O-N 3.06Å; G217-M222 PolarHBondContact O-N 2.93Å
218S87.9Confident88.7Confident8 Ų839.6 Ų39.66%0.05622%0.219CC..Hα-helixtrans-66.1-43.6173.6-630000112S63 V64 S214 V215 Q220 G221S63-S218 VanDerWaalsContact CA-OG 3.3Å; S63-S218 WeakPolarHBondContact CA-OG 3.31Å; S63-S218 PolarHBondContact OG-OG 3.2Å; V64-S218 PolarHBondContact N-OG 3.16Å; S214-S218 VanDerWaalsContact O-CB 3.28Å; S214-S218 WeakPolarHBondContact O-CB 3.5Å; S214-S218 PolarHBondContact O-N 2.87Å; S214-S218 PolarHBondContact O-OG 3.06Å; V215-S218 WeakPolarHBondContact O-CB 3.15Å; V215-S218 PolarHBondContact O-N 2.86Å; S218-Q220 PolarHBondContact O-N 3.36Å; S218-G221 PolarHBondContact O-N 3.45Å
219L83.9Confident88.9Confident88 Ų8839.3 Ų39.346%0.46122%0.218SC..Hα-helixtrans-64.2-22.2174.6-67.4175.1000113.1V215 S216V215-L219 HydrophobicContact CG1-CD1 4.13Å; V215-L219 WeakPolarHBondContact O-CG 3.24Å; V215-L219 PolarHBondContact O-N 3.39Å; S216-L219 PolarHBondContact O-N 3.32Å
220Q83.4Confident89.2Confident110 Ų11040.2 Ų40.251%0.51422%0.221SC..THydrogen-bonded Turntrans-91.9-1.1173.3-71.8173.880.400113.7S216 G217 S218 M222S216-Q220 WeakPolarHBondContact O-CG 3.3Å; S216-Q220 PolarHBondContact O-N 2.64Å; S216-Q220 VanDerWaalsContact O-N 3.14Å; S216-Q220 PolarHBondContact O-NE2 2.76Å; S216-Q220 VanDerWaalsContact O-NE2 3.11Å; S216-Q220 PolarHBondContact OG-NE2 3.07Å; G217-Q220 CarbonylContact O-C 3.29Å; G217-Q220 PolarHBondContact O-N 3.17Å; S218-Q220 PolarHBondContact O-N 3.36Å; Q220-M222 VanDerWaalsContact C-N 3.28Å; Q220-M222 HydrophobicContact CB-CE 4.07Å; Q220-M222 HydrophobicContact CB-CG 3.97Å; Q220-M222 HydrophobicContact CB-SD 4.11Å; Q220-M222 PolarHBondContact O-N 2.84Å
221G84.4Confident89.6Confident57 Ų5740 Ų4059%0.58822%0.221SC*.THydrogen-bonded Turntrans67.125.3-177.500000114.2G217 S218G217-G221 PolarHBondContact O-N 3.06Å; S218-G221 PolarHBondContact O-N 3.45Å
222M89.5Confident90.1Very high42 Ų4240 Ų4021%0.20722%0.22CC..  trans-89.3-29.2-178.7-65.4178.7174.900113.2G217 Q220 G238 F239 M417G217-M222 PolarHBondContact O-N 2.93Å; Q220-M222 VanDerWaalsContact C-N 3.28Å; Q220-M222 HydrophobicContact CB-CE 4.07Å; Q220-M222 HydrophobicContact CB-CG 3.97Å; Q220-M222 HydrophobicContact CB-SD 4.11Å; Q220-M222 PolarHBondContact O-N 2.84Å; M222-G238 WeakPolarHBondContact O-CA 3.47Å; M222-F239 HydrophobicContact CB-CE1 3.93Å; M222-F239 WeakPolarHBondContact O-CD1 3.49Å; M222-F239 PolarHBondContact O-N 3.1Å; M222-M417 HydrophobicContact CE-CE 3.8Å; M222-M417 HydrophobicContact SD-CE 4.41Å
223L93.4Very high90.7Very high12 Ų1233.8 Ų33.86%0.06320%0.198CC..BIsolated β-bridgetrans-91.3132.4-175.8-64.2-169.3000112.7S214 P225 F239S214-L223 WeakPolarHBondContact O-CD1 3.29Å; L223-P225 WeakPolarHBondContact O-CD 3.07Å; L223-F239 CarbonylContact C-O 3.57Å; L223-F239 VanDerWaalsContact CA-O 3.29Å; L223-F239 WeakPolarHBondContact CA-O 3.49Å; L223-F239 HydrophobicContact CD2-CD2 3.94Å; L223-F239 HydrophobicContact CD2-CE1 4.47Å; L223-F239 HydrophobicContact CD2-CE2 3.56Å; L223-F239 HydrophobicContact CD2-CZ 3.86Å
224S94.7Very high91.2Very high0 Ų036.2 Ų36.20%021%0.21CC..  trans-65120.9174170.90000111.2S65 T226 G227 R228 D237 F239S65-S224 WeakPolarHBondContact CB-O 3.27Å; S65-S224 PolarHBondContact OG-O 2.82Å; S65-S224 VanDerWaalsContact OG-O 3.05Å; S224-T226 VanDerWaalsContact C-N 3.29Å; S224-T226 PolarHBondContact OG-N 2.86Å; S224-T226 PolarHBondContact OG-OG1 2.89Å; S224-G227 PolarHBondContact O-N 3.26Å; S224-G227 PolarHBondContact OG-N 3.47Å; S224-G227 VanDerWaalsContact OG-N 3.09Å; S224-R228 VanDerWaalsContact CB-O 3.23Å; S224-R228 WeakPolarHBondContact CB-O 3.48Å; S224-R228 PolarHBondContact OG-N 3.07Å; S224-R228 PolarHBondContact OG-O 3.31Å; S224-R228 VanDerWaalsContact OG-O 3.09Å; S224-D237 WeakPolarHBondContact CB-OD1 3.36Å; S224-D237 VanDerWaalsContact OG-CG 3.25Å; S224-D237 PolarHBondContact OG-OD1 3.26Å; S224-D237 PolarHBondContact OG-OD2 3.2Å; S224-F239 PolarHBondContact N-O 3.14Å
225P90.3Very high91.6Very high65 Ų6537.6 Ų37.642%0.42222%0.222SC..THydrogen-bonded Turntrans-67.1-28.8171.2-20.133.3000113V64 L223 G227 D237V64-P225 HydrophobicContact CB-CG 4.37Å; V64-P225 HydrophobicContact CG2-CB 4.49Å; V64-P225 HydrophobicContact CG2-CG 4.02Å; L223-P225 WeakPolarHBondContact O-CD 3.07Å; P225-G227 PolarHBondContact O-N 3.09Å; P225-D237 WeakPolarHBondContact CD-OD2 3.41Å
226T90.9Very high91.9Very high76 Ų7637.6 Ų37.647%0.46622%0.224SC..THydrogen-bonded Turntrans-72-17.4173.157.10000112.6S224 D237S224-T226 VanDerWaalsContact C-N 3.29Å; S224-T226 PolarHBondContact OG-N 2.86Å; S224-T226 PolarHBondContact OG-OG1 2.89Å; T226-D237 WeakPolarHBondContact CG2-OD2 3.32Å; T226-D237 PolarHBondContact N-OD2 2.89Å; T226-D237 PolarHBondContact OG1-OD1 3.04Å; T226-D237 PolarHBondContact OG1-OD2 3.49Å
227G91.8Very high92.3Very high0 Ų037.2 Ų37.20%022%0.217CC..SBendtrans74.132.8178.200000112.8V39 S224 P225V39-G227 WeakPolarHBondContact CG1-O 3.22Å; S224-G227 PolarHBondContact O-N 3.26Å; S224-G227 PolarHBondContact OG-N 3.47Å; S224-G227 VanDerWaalsContact OG-N 3.09Å; P225-G227 PolarHBondContact O-N 3.09Å
228R96.2Very high92.7Very high50 Ų5036.7 Ų36.719%0.18921%0.213CC..SBendtrans-139.1159.9177.1-68.2-59.2-175.6-100.120.3111.1D37 V39 S224D37-R228 VanDerWaalsContact CG-NE 3.34Å; D37-R228 IonicContact OD1-CZ 3.22Å; D37-R228 VanDerWaalsContact OD1-CZ 3.28Å; D37-R228 IonicContact OD1-NE 3.38Å; D37-R228 PolarHBondContact OD1-NE 2.97Å; D37-R228 IonicContact OD1-NH2 3.67Å; D37-R228 PolarHBondContact OD1-NH2 3.21Å; D37-R228 IonicContact OD2-CZ 3.79Å; D37-R228 IonicContact OD2-NE 3.54Å; D37-R228 PolarHBondContact OD2-NE 2.94Å; D37-R228 IonicContact OD2-NH2 2.72Å; D37-R228 PolarHBondContact OD2-NH2 2.74Å; V39-R228 PolarHBondContact O-NH1 3.46Å; V39-R228 VanDerWaalsContact O-NH1 3.09Å; V39-R228 PolarHBondContact O-NH2 3.26Å; S224-R228 VanDerWaalsContact CB-O 3.23Å; S224-R228 WeakPolarHBondContact CB-O 3.48Å; S224-R228 PolarHBondContact OG-N 3.07Å; S224-R228 PolarHBondContact OG-O 3.31Å; S224-R228 VanDerWaalsContact OG-O 3.09Å
229C97Very high93.1Very high1 Ų137.8 Ų37.81%0.00722%0.216CC..  trans-96.997.6171-77.10000109.1A231 T315 K344C229-A231 PolarHBondContact O-N 2.92Å; C229-T315 WeakPolarHBondContact CB-O 3.27Å; C229-T315 PolarHBondContact SG-O 2.83Å; C229-K344 HydrophobicContact CB-CB 4.17Å; C229-K344 WeakPolarHBondContact CB-O 3.4Å
230H97.5Very high93.6Very high30 Ų3033.7 Ų33.714%0.13920%0.195CC..  trans-78.458.5177.8-78.4-77.7000112F232 D233 A235 H376H230-F232 PolarHBondContact O-N 2.77Å; H230-D233 HydrophobicContact CB-CB 4.32Å; H230-D233 PolarHBondContact O-N 3.24Å; H230-D233 VanDerWaalsContact O-N 3.13Å; H230-A235 HydrophobicContact CB-CB 4.33Å; H230-A235 WeakPolarHBondContact CB-O 3.46Å; H230-H376 PolarHBondContact ND1-O 2.92Å; H230-H376 VanDerWaalsContact ND1-O 3.14Å
231A97.1Very high94.1Very high0 Ų029.4 Ų29.40%018%0.177CC..THydrogen-bonded Turntrans-60.3120.2-169.700000112.5C229 D233 D321 T345C229-A231 PolarHBondContact O-N 2.92Å; A231-D233 PolarHBondContact O-N 2.89Å; A231-D321 WeakPolarHBondContact CA-OD2 3.41Å; A231-T345 HydrophobicContact CB-CG2 3.64Å
232F97Very high94.6Very high2 Ų226.8 Ų26.81%0.00915%0.15CC..THydrogen-bonded Turntrans597.5-174.5-48.3-69.3000117.1H230 A312 D321 E324 Y325 L340 L380 P381H230-F232 PolarHBondContact O-N 2.77Å; F232-A312 HydrophobicContact CE2-CB 3.81Å; F232-A312 HydrophobicContact CZ-CB 3.62Å; F232-D321 HydrophobicContact CD1-CB 3.94Å; F232-D321 HydrophobicContact CE1-CB 4.15Å; F232-D321 WeakPolarHBondContact CE1-O 3.29Å; F232-D321 PolarHBondContact N-OD2 2.9Å; F232-E324 HydrophobicContact CE1-CB 4.32Å; F232-E324 HydrophobicContact CE1-CG 4.22Å; F232-E324 HydrophobicContact CZ-CG 4.24Å; F232-Y325 HydrophobicContact CD1-CD2 4.08Å; F232-Y325 HydrophobicContact CG-CD2 4.43Å; F232-L340 HydrophobicContact CD1-CD2 4.32Å; F232-L340 HydrophobicContact CD2-CD2 3.84Å; F232-L340 HydrophobicContact CD2-CG 4.02Å; F232-L340 HydrophobicContact CE1-CD2 4.3Å; F232-L340 HydrophobicContact CE2-CD1 3.99Å; F232-L340 HydrophobicContact CE2-CD2 3.82Å; F232-L340 HydrophobicContact CE2-CG 3.74Å; F232-L340 HydrophobicContact CG-CD2 4.1Å; F232-L340 HydrophobicContact CZ-CD1 4.16Å; F232-L340 HydrophobicContact CZ-CD2 4.07Å; F232-L340 HydrophobicContact CZ-CG 4.26Å; F232-L380 HydrophobicContact CB-CD2 4.33Å; F232-P381 WeakPolarHBondContact O-CD 3.44Å
233D97.3Very high95Very high10 Ų1024.8 Ų24.85%0.05314%0.141CC..SBendtrans-84.7160.3178.2-16772.2000112.5H230 A231 A235 A236 F377 C378 R379H230-D233 HydrophobicContact CB-CB 4.32Å; H230-D233 PolarHBondContact O-N 3.24Å; H230-D233 VanDerWaalsContact O-N 3.13Å; A231-D233 PolarHBondContact O-N 2.89Å; D233-A235 PolarHBondContact O-N 3.17Å; D233-A235 VanDerWaalsContact OD2-CB 3.25Å; D233-A235 WeakPolarHBondContact OD2-CB 3.25Å; D233-A235 PolarHBondContact OD2-N 3.08Å; D233-A236 WeakPolarHBondContact O-CB 3.39Å; D233-A236 PolarHBondContact O-N 2.89Å; D233-F377 HydrophobicContact CB-CD2 4.07Å; D233-C378 WeakPolarHBondContact OD1-CA 3.44Å; D233-C378 WeakPolarHBondContact OD1-CB 3.35Å; D233-C378 PolarHBondContact OD1-N 2.69Å; D233-R379 WeakPolarHBondContact CA-O 3.45Å; D233-R379 PolarHBondContact OD1-N 3.49Å; D233-R379 VanDerWaalsContact OD1-O 3.07Å
234E94.6Very high95.2Very high108 Ų10824.2 Ų24.251%0.50514%0.138SC..THydrogen-bonded Turntrans-56.7-29.5168.2-175178.2-143.100113A236 R379E234-A236 VanDerWaalsContact C-N 3.25Å; E234-A236 PolarHBondContact O-N 3.15Å; E234-R379 HydrophobicContact CB-CG 4.31Å; E234-R379 PolarHBondContact N-O 2.86Å; E234-R379 IonicContact OE1-CZ 2.78Å; E234-R379 IonicContact OE1-NE 2.68Å; E234-R379 IonicContact OE1-NH2 3.2Å; E234-R379 PolarHBondContact OE1-NH2 3.12Å; E234-R379 IonicContact OE2-CZ 3.22Å; E234-R379 IonicContact OE2-NE 3.73Å; E234-R379 PolarHBondContact OE2-NE 2.72Å; E234-R379 IonicContact OE2-NH2 2.78Å; E234-R379 PolarHBondContact OE2-NH2 2.75Å
235A95.1Very high95.4Very high47 Ų4724.2 Ų24.239%0.38814%0.138SC..THydrogen-bonded Turntrans-81.514.6177.700000115.1H230 D233 D237H230-A235 HydrophobicContact CB-CB 4.33Å; H230-A235 WeakPolarHBondContact CB-O 3.46Å; D233-A235 PolarHBondContact O-N 3.17Å; D233-A235 VanDerWaalsContact OD2-CB 3.25Å; D233-A235 WeakPolarHBondContact OD2-CB 3.25Å; D233-A235 PolarHBondContact OD2-N 3.08Å; A235-D237 PolarHBondContact O-N 2.88Å
236A95.4Very high95.8Very high17 Ų1721.1 Ų21.114%0.1412%0.118CC..  trans-56.794.917700000112.9D233 E234 G316 P318D233-A236 WeakPolarHBondContact O-CB 3.39Å; D233-A236 PolarHBondContact O-N 2.89Å; E234-A236 VanDerWaalsContact C-N 3.25Å; E234-A236 PolarHBondContact O-N 3.15Å; A236-G316 CarbonylContact C-O 3.56Å; A236-G316 VanDerWaalsContact CA-O 3.23Å; A236-G316 WeakPolarHBondContact CA-O 3.4Å; A236-G316 WeakPolarHBondContact CB-O 3.36Å; A236-P318 WeakPolarHBondContact O-CB 3.27Å; A236-P318 WeakPolarHBondContact O-CD 3.44Å
237D94.5Very high96.2Very high48 Ų4817.7 Ų17.726%0.25710%0.096SC..  trans-110-3.3-174.171.8-12.6000114.5S224 P225 T226 A235 G316S224-D237 WeakPolarHBondContact CB-OD1 3.36Å; S224-D237 VanDerWaalsContact OG-CG 3.25Å; S224-D237 PolarHBondContact OG-OD1 3.26Å; S224-D237 PolarHBondContact OG-OD2 3.2Å; P225-D237 WeakPolarHBondContact CD-OD2 3.41Å; T226-D237 WeakPolarHBondContact CG2-OD2 3.32Å; T226-D237 PolarHBondContact N-OD2 2.89Å; T226-D237 PolarHBondContact OG1-OD1 3.04Å; T226-D237 PolarHBondContact OG1-OD2 3.49Å; A235-D237 PolarHBondContact O-N 2.88Å; D237-G316 PolarHBondContact N-O 3.32Å
238G94.7Very high96.5Very high0 Ų017.7 Ų17.70%010%0.096CC..  trans143.5-166.3-175.300000112.2M222 G316M222-G238 WeakPolarHBondContact O-CA 3.47Å; G238-G316 CarbonylContact C-O 3.54Å; G238-G316 PolarHBondContact N-O 3.41Å; G238-G316 CarbonylContact O-C 3.47Å; G238-G316 VanDerWaalsContact O-C 3.29Å
239F95.7Very high96.6Very high30 Ų3015.3 Ų15.313%0.1329%0.087CC..BIsolated β-bridgetrans-116.2161.9169.373.3-99000111.9M222 L223 S224 T315 T317 H349M222-F239 HydrophobicContact CB-CE1 3.93Å; M222-F239 WeakPolarHBondContact O-CD1 3.49Å; M222-F239 PolarHBondContact O-N 3.1Å; L223-F239 CarbonylContact C-O 3.57Å; L223-F239 VanDerWaalsContact CA-O 3.29Å; L223-F239 WeakPolarHBondContact CA-O 3.49Å; L223-F239 HydrophobicContact CD2-CD2 3.94Å; L223-F239 HydrophobicContact CD2-CE1 4.47Å; L223-F239 HydrophobicContact CD2-CE2 3.56Å; L223-F239 HydrophobicContact CD2-CZ 3.86Å; S224-F239 PolarHBondContact N-O 3.14Å; F239-T315 WeakPolarHBondContact CB-O 3.44Å; F239-T317 HydrophobicContact CD1-CG2 4.43Å; F239-H349 HydrophobicContact CB-CB 4.33Å; F239-H349 HydrophobicContact CD2-CB 3.57Å; F239-H349 HydrophobicContact CE2-CB 4.09Å; F239-H349 HydrophobicContact CG-CB 4.11Å
240V95.4Very high96.7Very high2 Ų215.2 Ų15.21%0.0129%0.087CC..  trans-111.4139.616968.70000109.3V39 W67 G348 H349V39-V240 HydrophobicContact CB-CG1 4.48Å; V39-V240 HydrophobicContact CG1-CB 4.36Å; V39-V240 HydrophobicContact CG1-CG1 3.82Å; V39-V240 HydrophobicContact CG1-CG2 3.68Å; V39-V240 HydrophobicContact CG2-CG1 3.86Å; W67-V240 HydrophobicContact CB-CG2 3.99Å; W67-V240 VanDerWaalsContact O-CG2 3.29Å; W67-V240 WeakPolarHBondContact O-CG2 3.37Å; V240-G348 CarbonylContact O-C 3.5Å; V240-G348 WeakPolarHBondContact O-CA 3.23Å; V240-H349 PolarHBondContact O-N 3.18Å
241S94.1Very high96.7Very high20 Ų2015.1 Ų15.114%0.149%0.086CC..EExtended strand (participates in β ladder)trans-72.9154-175.4-62.60000112.4G68 A69G68-S241 WeakPolarHBondContact CA-O 3.37Å; A69-S241 PolarHBondContact N-O 2.91Å
242G95.3Very high96.7Very high3 Ų316.9 Ų16.93%0.0319%0.093CC..EExtended strand (participates in β ladder)trans-146.8155.9171.500000114.2A69 V206 H349 L350A69-G242 CarbonylContact O-C 3.52Å; A69-G242 VanDerWaalsContact O-CA 3.23Å; A69-G242 WeakPolarHBondContact O-CA 3.33Å; V206-G242 WeakPolarHBondContact CG1-O 3.16Å; G242-H349 PolarHBondContact N-O 3.2Å; G242-L350 WeakPolarHBondContact O-CA 3.4Å
243E97.2Very high96.6Very high0 Ų018.2 Ų18.20%010%0.1CC..  trans-100.2155.2177.1-60.3-172140.200111.7P19 R46 A69 F70 L71 V206 V207 T208 L350P19-E243 VanDerWaalsContact CD-O 3.25Å; P19-E243 WeakPolarHBondContact CD-O 3.46Å; R46-E243 IonicContact CZ-OE2 3.9Å; R46-E243 IonicContact NE-OE1 2.87Å; R46-E243 PolarHBondContact NE-OE1 3.07Å; R46-E243 IonicContact NE-OE2 3.61Å; R46-E243 IonicContact NH2-OE1 3.88Å; R46-E243 IonicContact NH2-OE2 2.75Å; R46-E243 PolarHBondContact NH2-OE2 2.65Å; A69-E243 PolarHBondContact O-N 2.86Å; F70-E243 WeakPolarHBondContact CA-OE2 3.4Å; F70-E243 HydrophobicContact CD1-CG 4.02Å; L71-E243 HydrophobicContact CD1-CB 4.25Å; L71-E243 HydrophobicContact CG-CB 3.89Å; L71-E243 PolarHBondContact N-OE2 2.78Å; V206-E243 WeakPolarHBondContact O-CA 3.39Å; V207-E243 WeakPolarHBondContact CG1-OE1 3.46Å; T208-E243 PolarHBondContact N-OE1 3.1Å; E243-L350 VanDerWaalsContact O-CD2 3.27Å; E243-L350 WeakPolarHBondContact O-CD2 3.28Å; E243-L350 WeakPolarHBondContact O-CG 3.5Å
244G97.7Very high96.5Very high0 Ų021.8 Ų21.80%012%0.123CC..EExtended strand (participates in β ladder)trans161164.1170.600000115.2R17 V205 V206 A353R17-G244 WeakPolarHBondContact O-CA 3.34Å; V205-G244 CarbonylContact C-O 3.58Å; V205-G244 WeakPolarHBondContact CA-O 3.42Å; V206-G244 PolarHBondContact N-O 2.69Å; V206-G244 PolarHBondContact O-N 3.32Å; G244-A353 WeakPolarHBondContact O-CB 3.29Å
245C98.5Very high96.5Very high0 Ų017.8 Ų17.80%011%0.106CC..EExtended strand (participates in β ladder)trans-129.3136174.6-172.90000110C16 R17 L98 V102 V205C16-C245 CarbonylContact C-O 3.6Å; C16-C245 WeakPolarHBondContact CA-O 3.4Å; C16-C245 WeakPolarHBondContact CB-O 3.47Å; R17-C245 PolarHBondContact N-O 2.94Å; R17-C245 PolarHBondContact O-N 2.78Å; L98-C245 HydrophobicContact CB-CB 3.98Å; L98-C245 HydrophobicContact CD1-CB 4.48Å; V102-C245 HydrophobicContact CG2-CB 4.28Å; V205-C245 HydrophobicContact CB-CB 4.27Å; V205-C245 HydrophobicContact CG2-CB 3.85Å
246V98.8Very high96.4Very high0 Ų015.6 Ų15.60%09%0.087CC..EExtended strand (participates in β ladder)trans-141.9128.7174.8-177.50000109.8C16 L18 G203 G204 P356 L357 M360C16-V246 HydrophobicContact CB-CB 4.44Å; C16-V246 HydrophobicContact CB-CG1 4.45Å; C16-V246 HydrophobicContact CB-CG2 3.88Å; L18-V246 HydrophobicContact CD2-CG2 4.11Å; G203-V246 CarbonylContact C-O 3.55Å; G203-V246 WeakPolarHBondContact CA-O 3.42Å; G204-V246 PolarHBondContact N-O 3.12Å; G204-V246 PolarHBondContact O-N 2.85Å; V246-P356 HydrophobicContact CB-CB 3.84Å; V246-P356 HydrophobicContact CG1-CB 3.91Å; V246-L357 HydrophobicContact CG2-CB 4.05Å; V246-L357 HydrophobicContact CG2-CD1 4.29Å; V246-M360 HydrophobicContact CG1-CB 4.39Å; V246-M360 HydrophobicContact CG1-CE 3.74Å; V246-M360 HydrophobicContact CG1-SD 4.4Å
247V98.8Very high96.1Very high3 Ų319.5 Ų19.52%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-129.7137.9177.9-173.70000110.3M14 A15 L99 V102 A106 L201M14-V247 WeakPolarHBondContact CA-O 3.34Å; A15-V247 PolarHBondContact N-O 2.83Å; A15-V247 PolarHBondContact O-N 2.78Å; L99-V247 HydrophobicContact CD2-CG2 4.06Å; V102-V247 HydrophobicContact CB-CG2 4.25Å; V102-V247 HydrophobicContact CG1-CB 4.02Å; V102-V247 HydrophobicContact CG1-CG2 3.82Å; A106-V247 HydrophobicContact CB-CB 4.42Å; A106-V247 HydrophobicContact CB-CG1 4.33Å; L201-V247 HydrophobicContact CB-CG1 4.29Å; L201-V247 HydrophobicContact CD2-CG1 3.74Å
248L98.7Very high95.9Very high0 Ų024.8 Ų24.80%013%0.125CC..EExtended strand (participates in β ladder)trans-113.8140175.8-51.8179.5000109.1V11 M14 V185 L201 A202 L250 L359 I363V11-L248 HydrophobicContact CG1-CB 4.25Å; V11-L248 HydrophobicContact CG1-CD2 4.41Å; M14-L248 HydrophobicContact CB-CD2 3.58Å; V185-L248 HydrophobicContact CG2-CD1 4.32Å; L201-L248 WeakPolarHBondContact CA-O 3.43Å; A202-L248 PolarHBondContact N-O 3.06Å; A202-L248 WeakPolarHBondContact O-CB 3.11Å; A202-L248 PolarHBondContact O-N 3.04Å; L248-L250 HydrophobicContact CB-CD2 4.04Å; L248-L250 HydrophobicContact CB-CG 4.44Å; L248-L359 HydrophobicContact CD1-CB 4.17Å; L248-L359 HydrophobicContact CD1-CD1 3.98Å; L248-I363 HydrophobicContact CD2-CD1 4.43Å
249L98.5Very high95.5Very high0 Ų028.6 Ų28.60%015%0.146CC..EExtended strand (participates in β ladder)trans-100.2118.7168.3-168.669.8000109.5I12 G13 I107 A110 L199 L201I12-L249 HydrophobicContact CD1-CD2 3.99Å; I12-L249 HydrophobicContact CD1-CG 4.38Å; I12-L249 HydrophobicContact CG1-CB 4.31Å; I12-L249 HydrophobicContact CG1-CD2 4.03Å; I12-L249 HydrophobicContact CG1-CG 4.12Å; I12-L249 PolarHBondContact N-O 3.03Å; G13-L249 PolarHBondContact N-O 3.46Å; G13-L249 PolarHBondContact O-N 2.72Å; I107-L249 HydrophobicContact CG1-CD1 4.33Å; I107-L249 HydrophobicContact CG1-CD2 4.23Å; A110-L249 HydrophobicContact CB-CD2 3.62Å; L199-L249 HydrophobicContact CD1-CD1 4.22Å; L199-L249 HydrophobicContact CD1-CD2 4.29Å; L199-L249 HydrophobicContact CD1-CG 4.06Å; L199-L249 HydrophobicContact CD2-CD1 3.97Å; L199-L249 HydrophobicContact CD2-CD2 4.29Å; L199-L249 HydrophobicContact CD2-CG 4.44Å; L199-L249 HydrophobicContact CG-CD1 3.86Å; L199-L249 HydrophobicContact CG-CG 4.26Å; L201-L249 HydrophobicContact CD2-CD1 3.65Å; L201-L249 HydrophobicContact CG-CD1 3.86Å
250L98.5Very high95Very high0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans-113.6139.6-170.4-57-175.7000111.1V9 A10 V11 V185 A188 L192 L199 A200 A202 L248V9-L250 HydrophobicContact CG1-CB 3.75Å; V9-L250 HydrophobicContact CG1-CD1 4.38Å; V9-L250 HydrophobicContact CG1-CD2 4.18Å; V9-L250 HydrophobicContact CG1-CG 4.33Å; A10-L250 WeakPolarHBondContact O-CA 3.23Å; V11-L250 HydrophobicContact CB-CD2 4.24Å; V11-L250 HydrophobicContact CG1-CD2 4.17Å; V11-L250 HydrophobicContact CG2-CD2 3.78Å; V185-L250 HydrophobicContact CG1-CD1 4.36Å; A188-L250 HydrophobicContact CB-CD1 3.93Å; L192-L250 HydrophobicContact CD1-CB 3.77Å; L199-L250 CarbonylContact C-O 3.58Å; L199-L250 WeakPolarHBondContact CA-O 3.23Å; L199-L250 WeakPolarHBondContact CD1-O 3.33Å; A200-L250 HydrophobicContact CB-CB 4.43Å; A200-L250 PolarHBondContact N-O 3.37Å; A200-L250 WeakPolarHBondContact O-CB 3.48Å; A200-L250 PolarHBondContact O-N 3.27Å; A202-L250 HydrophobicContact CB-CD1 3.62Å; A202-L250 HydrophobicContact CB-CG 4.25Å; L248-L250 HydrophobicContact CB-CD2 4.04Å; L248-L250 HydrophobicContact CB-CG 4.44Å
251K97.9Very high94.7Very high27 Ų2731 Ų3112%0.11717%0.173CC..EExtended strand (participates in β ladder)trans-142.9151.8177.6-163.5170.3179.8175.90109.7V9 A10 I12 L199 L253 D255 A256 D259 D261V9-K251 CarbonylContact C-O 3.52Å; V9-K251 WeakPolarHBondContact CA-O 3.4Å; A10-K251 PolarHBondContact N-O 2.9Å; A10-K251 PolarHBondContact O-N 2.92Å; I12-K251 HydrophobicContact CD1-CB 4.28Å; I12-K251 HydrophobicContact CD1-CD 4.13Å; I12-K251 HydrophobicContact CG2-CB 4.47Å; L199-K251 HydrophobicContact CD1-CB 3.89Å; L199-K251 HydrophobicContact CD1-CD 3.97Å; L199-K251 HydrophobicContact CD1-CG 4.02Å; K251-L253 PolarHBondContact O-N 3.06Å; K251-D255 HydrophobicContact CG-CB 4.26Å; K251-A256 HydrophobicContact CB-CB 4.41Å; K251-A256 HydrophobicContact CD-CB 4.23Å; K251-A256 HydrophobicContact CG-CB 4.46Å; K251-D259 WeakPolarHBondContact CE-OD2 3.18Å; K251-D259 IonicContact NZ-OD2 3.86Å; K251-D259 PolarHBondContact NZ-OD2 3.22Å; K251-D261 VanDerWaalsContact CD-OD2 3.23Å; K251-D261 WeakPolarHBondContact CD-OD2 3.22Å; K251-D261 WeakPolarHBondContact CE-OD2 3.41Å; K251-D261 IonicContact NZ-OD2 2.74Å; K251-D261 PolarHBondContact NZ-OD2 3.08Å
252R97.5Very high94.5Very high38 Ų3832.3 Ų32.314%0.14318%0.175CC..EExtended strand (participates in β ladder)trans-60.3131.4170.3-71179.9-68.6-91.8-7.2109.4T7 L192 S197 D198 P254 D255 A256T7-R252 HydrophobicContact CG2-CB 4.13Å; T7-R252 HydrophobicContact CG2-CG 3.91Å; L192-R252 HydrophobicContact CB-CG 4.2Å; L192-R252 VanDerWaalsContact O-CD 3.25Å; L192-R252 WeakPolarHBondContact O-CD 3.12Å; L192-R252 PolarHBondContact O-NH1 2.88Å; S197-R252 PolarHBondContact O-NH1 2.88Å; D198-R252 IonicContact OD1-CZ 3.37Å; D198-R252 IonicContact OD1-NH1 3.13Å; D198-R252 IonicContact OD1-NH2 2.75Å; D198-R252 PolarHBondContact OD1-NH2 2.94Å; R252-P254 VanDerWaalsContact C-CD 3.48Å; R252-D255 HydrophobicContact CB-CB 4.44Å; R252-D255 IonicContact CZ-OD2 3.12Å; R252-D255 VanDerWaalsContact CZ-OD2 3.25Å; R252-D255 IonicContact NE-OD2 3.77Å; R252-D255 PolarHBondContact NE-OD2 2.94Å; R252-D255 IonicContact NH2-OD2 3.58Å; R252-D255 PolarHBondContact NH2-OD2 3.25Å; R252-D255 PolarHBondContact O-N 3.17Å; R252-A256 PolarHBondContact O-N 2.79Å
253L95.3Very high94.5Very high30 Ų3033.5 Ų33.516%0.15718%0.182CC..Hα-helixtrans-55.2-39.6-175.9177.564.7000113.8S8 A10 K251 D255 A256 V257 V263 I266S8-L253 WeakPolarHBondContact O-CB 3.21Å; S8-L253 PolarHBondContact O-N 2.97Å; A10-L253 HydrophobicContact CB-CB 4.39Å; A10-L253 HydrophobicContact CB-CD1 3.99Å; K251-L253 PolarHBondContact O-N 3.06Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 3.07Å; L253-A256 PolarHBondContact O-N 2.83Å; L253-V257 HydrophobicContact CD1-CG2 4.05Å; L253-V257 WeakPolarHBondContact O-CG2 3.4Å; L253-V257 PolarHBondContact O-N 3.33Å; L253-V263 HydrophobicContact CD1-CG1 4.46Å; L253-V263 HydrophobicContact CD1-CG2 4.1Å; L253-I266 HydrophobicContact CD1-CD1 4.49Å; L253-I266 HydrophobicContact CD1-CG1 4.31Å; L253-I266 HydrophobicContact CD2-CD1 3.74Å; L253-I266 HydrophobicContact CD2-CG1 4.1Å; L253-I266 HydrophobicContact CD2-CG2 4.24Å
254P93.2Very high94.4Very high85 Ų8533.6 Ų33.655%0.55218%0.182SC*.Hα-helixtrans-62.1-35.9174.3-24.835.9000114R252 R258R252-P254 VanDerWaalsContact C-CD 3.48Å; P254-R258 WeakPolarHBondContact O-CB 3.26Å; P254-R258 PolarHBondContact O-N 2.81Å
255D95.1Very high94.4Very high24 Ų2433.6 Ų33.613%0.12818%0.182CC..Hα-helixtrans-74.5-40.9178.7-65.4-38.8000110.8K251 R252 L253 V257 R258 D259K251-D255 HydrophobicContact CG-CB 4.26Å; R252-D255 HydrophobicContact CB-CB 4.44Å; R252-D255 IonicContact CZ-OD2 3.12Å; R252-D255 VanDerWaalsContact CZ-OD2 3.25Å; R252-D255 IonicContact NE-OD2 3.77Å; R252-D255 PolarHBondContact NE-OD2 2.94Å; R252-D255 IonicContact NH2-OD2 3.58Å; R252-D255 PolarHBondContact NH2-OD2 3.25Å; R252-D255 PolarHBondContact O-N 3.17Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 3.07Å; D255-V257 VanDerWaalsContact C-N 3.33Å; D255-V257 PolarHBondContact O-N 3.06Å; D255-R258 PolarHBondContact O-N 2.9Å; D255-R258 IonicContact OD1-CZ 2.69Å; D255-R258 IonicContact OD1-NH1 3.52Å; D255-R258 PolarHBondContact OD1-NH1 3.1Å; D255-R258 IonicContact OD1-NH2 3.48Å; D255-R258 PolarHBondContact OD1-NH2 3.44Å; D255-D259 WeakPolarHBondContact O-CB 3.3Å; D255-D259 VanDerWaalsContact O-CG 3.28Å; D255-D259 PolarHBondContact O-N 3.03Å
256A92.9Very high94.4Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-58.8-42.917300000112.3A10 I12 K251 R252 L253 G260 D261 V263A10-A256 HydrophobicContact CB-CB 3.83Å; I12-A256 HydrophobicContact CG2-CB 4.08Å; K251-A256 HydrophobicContact CB-CB 4.41Å; K251-A256 HydrophobicContact CD-CB 4.23Å; K251-A256 HydrophobicContact CG-CB 4.46Å; R252-A256 PolarHBondContact O-N 2.79Å; L253-A256 PolarHBondContact O-N 2.83Å; A256-G260 PolarHBondContact O-N 3.4Å; A256-D261 WeakPolarHBondContact CA-OD2 3.38Å; A256-D261 HydrophobicContact CB-CB 4.08Å; A256-D261 PolarHBondContact O-N 2.92Å; A256-V263 HydrophobicContact CB-CG2 4.39Å
257V89.9Confident94.3Very high99 Ų9934.2 Ų34.260%0.619%0.185SC*.Hα-helixtrans-70.1-35176.5171.80000112.2L253 D255L253-V257 HydrophobicContact CD1-CG2 4.05Å; L253-V257 WeakPolarHBondContact O-CG2 3.4Å; L253-V257 PolarHBondContact O-N 3.33Å; D255-V257 VanDerWaalsContact C-N 3.33Å; D255-V257 PolarHBondContact O-N 3.06Å
258R89.5Confident94.2Very high160 Ų16036.3 Ų36.360%0.60419%0.193SC*.Hα-helixtrans-64.3-44.7175.3-179-167.566.8-132.6-14.1111.8P254 D255 G260P254-R258 WeakPolarHBondContact O-CB 3.26Å; P254-R258 PolarHBondContact O-N 2.81Å; D255-R258 PolarHBondContact O-N 2.9Å; D255-R258 IonicContact OD1-CZ 2.69Å; D255-R258 IonicContact OD1-NH1 3.52Å; D255-R258 PolarHBondContact OD1-NH1 3.1Å; D255-R258 IonicContact OD1-NH2 3.48Å; D255-R258 PolarHBondContact OD1-NH2 3.44Å; R258-G260 VanDerWaalsContact C-N 3.32Å
259D87.5Confident94Very high80 Ų8036.5 Ų36.543%0.42820%0.195SC..Hα-helixtrans-88.1-1.8-170.9-58.8-21.3000112.9K251 D255K251-D259 WeakPolarHBondContact CE-OD2 3.18Å; K251-D259 IonicContact NZ-OD2 3.86Å; K251-D259 PolarHBondContact NZ-OD2 3.22Å; D255-D259 WeakPolarHBondContact O-CB 3.3Å; D255-D259 VanDerWaalsContact O-CG 3.28Å; D255-D259 PolarHBondContact O-N 3.03Å
260G84.5Confident94Very high57 Ų5737.3 Ų37.359%0.58820%0.2SC*.THydrogen-bonded Turntrans7823.3178.300000114A256 R258A256-G260 PolarHBondContact O-N 3.4Å; R258-G260 VanDerWaalsContact C-N 3.32Å
261D89.4Confident94Very high24 Ų2437.7 Ų37.713%0.12820%0.203CC..  trans-70147.9-178.6-67.8-46.9000112.5I12 K251 A256 V263I12-D261 HydrophobicContact CB-CB 4.44Å; I12-D261 HydrophobicContact CD1-CB 4.4Å; I12-D261 HydrophobicContact CG2-CB 3.96Å; K251-D261 VanDerWaalsContact CD-OD2 3.23Å; K251-D261 WeakPolarHBondContact CD-OD2 3.22Å; K251-D261 WeakPolarHBondContact CE-OD2 3.41Å; K251-D261 IonicContact NZ-OD2 2.74Å; K251-D261 PolarHBondContact NZ-OD2 3.08Å; A256-D261 WeakPolarHBondContact CA-OD2 3.38Å; A256-D261 HydrophobicContact CB-CB 4.08Å; A256-D261 PolarHBondContact O-N 2.92Å; D261-V263 PolarHBondContact O-N 3.32Å
262R90.1Very high94Very high49 Ų4938.2 Ų38.219%0.18521%0.213CC..  trans-74.3111.6173.5-179.7171.570.5157.88.4110.1I12 H109 L264 L866 D868I12-R262 VanDerWaalsContact CA-O 3.23Å; I12-R262 WeakPolarHBondContact CA-O 3.37Å; I12-R262 WeakPolarHBondContact CB-O 3.28Å; H109-R262 PolarHBondContact CE1-NH2 2.93Å; H109-R262 PolarHBondContact ND1-NH2 3.13Å; H109-R262 PolarHBondContact O-NH2 3.49Å; R262-L264 HydrophobicContact CG-CD2 4.2Å; R262-L866 HydrophobicContact CB-CD2 4.16Å; R262-D868 IonicContact CZ-OD1 3.77Å; R262-D868 IonicContact NH1-OD1 3.83Å; R262-D868 PolarHBondContact NH1-OD1 3.26Å; R262-D868 IonicContact NH1-OD2 2.69Å; R262-D868 PolarHBondContact NH1-OD2 3.09Å; R262-D868 IonicContact NH2-OD1 2.7Å; R262-D868 PolarHBondContact NH2-OD1 3.07Å
263V94.8Very high94Very high28 Ų2838 Ų3817%0.1721%0.214CC..  trans-84.8124.8173-175.90000110.2A10 L253 A256 D261 A265 I266 A429A10-V263 HydrophobicContact CB-CG1 4.04Å; A10-V263 HydrophobicContact CB-CG2 4.02Å; L253-V263 HydrophobicContact CD1-CG1 4.46Å; L253-V263 HydrophobicContact CD1-CG2 4.1Å; A256-V263 HydrophobicContact CB-CG2 4.39Å; D261-V263 PolarHBondContact O-N 3.32Å; V263-A265 WeakPolarHBondContact CG1-O 3.45Å; V263-I266 HydrophobicContact CG1-CG1 4.29Å; V263-A429 HydrophobicContact CB-CB 4.2Å; V263-A429 HydrophobicContact CG1-CB 3.91Å; V263-A429 VanDerWaalsContact O-CB 3.23Å; V263-A429 WeakPolarHBondContact O-CB 3.44Å
264L95.2Very high94.1Very high2 Ų240.8 Ų40.81%0.0123%0.227CC..  trans-90.2-42.6177.5-52.5175.3000111.3V11 M14 R262 I363V11-L264 HydrophobicContact CG1-CD1 4.36Å; V11-L264 WeakPolarHBondContact O-CB 3.41Å; V11-L264 WeakPolarHBondContact O-CG 3.46Å; V11-L264 PolarHBondContact O-N 2.87Å; M14-L264 HydrophobicContact CB-CD1 4.4Å; M14-L264 HydrophobicContact CE-CD1 4.11Å; M14-L264 HydrophobicContact CG-CD1 3.76Å; M14-L264 HydrophobicContact SD-CD1 3.96Å; R262-L264 HydrophobicContact CG-CD2 4.2Å; L264-I363 HydrophobicContact CB-CG2 4.03Å
265A97.5Very high94.2Very high0 Ų037.7 Ų37.70%021%0.205CC..EExtended strand (participates in β ladder)trans-160.4172.4172.300000109.9V11 V263 I363V11-A265 PolarHBondContact N-O 3.22Å; V263-A265 WeakPolarHBondContact CG1-O 3.45Å; A265-I363 HydrophobicContact CB-CB 4.39Å; A265-I363 HydrophobicContact CB-CG1 3.85Å; A265-I363 HydrophobicContact CB-CG2 4.07Å
266I97.8Very high94Very high8 Ų839.2 Ų39.24%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-114123174.4-55.1166000108.9V9 L253 V263 R268 L426 E427 P430V9-I266 CarbonylContact O-C 3.02Å; V9-I266 WeakPolarHBondContact O-CA 3.35Å; L253-I266 HydrophobicContact CD1-CD1 4.49Å; L253-I266 HydrophobicContact CD1-CG1 4.31Å; L253-I266 HydrophobicContact CD2-CD1 3.74Å; L253-I266 HydrophobicContact CD2-CG1 4.1Å; L253-I266 HydrophobicContact CD2-CG2 4.24Å; V263-I266 HydrophobicContact CG1-CG1 4.29Å; I266-R268 HydrophobicContact CG2-CG 3.98Å; I266-R268 PolarHBondContact O-N 3.47Å; I266-L426 CarbonylContact O-C 3.6Å; I266-L426 VanDerWaalsContact O-CA 3.31Å; I266-L426 WeakPolarHBondContact O-CA 3.32Å; I266-E427 HydrophobicContact CB-CB 4.41Å; I266-E427 PolarHBondContact N-O 2.91Å; I266-E427 PolarHBondContact O-N 2.95Å; I266-P430 HydrophobicContact CD1-CG 4.12Å
267V98Very high93.9Very high4 Ų451.1 Ų51.12%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-78.8107.6160.6-178.80000107V9 V11 T270 L426V9-V267 HydrophobicContact CB-CB 4.33Å; V9-V267 PolarHBondContact N-O 2.83Å; V9-V267 PolarHBondContact O-N 3.19Å; V11-V267 HydrophobicContact CG2-CG2 4.02Å; V267-T270 HydrophobicContact CG1-CG2 3.67Å; V267-L426 HydrophobicContact CG2-CD2 4.41Å; V267-L426 HydrophobicContact CG2-CG 4.36Å
268R95.5Very high93.9Very high48 Ų4848.2 Ų48.218%0.18125%0.254CS..EExtended strand (participates in β ladder)trans-82.7-33.3-174.6-77.5-69.7-59.3-89.3-11112.5I266 A300 I425 E427I266-R268 HydrophobicContact CG2-CG 3.98Å; I266-R268 PolarHBondContact O-N 3.47Å; R268-A300 HydrophobicContact CB-CB 3.82Å; R268-A300 PolarHBondContact NH2-O 3.4Å; R268-A300 WeakPolarHBondContact O-CA 3.4Å; R268-I425 PolarHBondContact N-O 3.41Å; R268-E427 WeakPolarHBondContact CD-OE1 3.3Å; R268-E427 HydrophobicContact CG-CB 3.69Å; R268-E427 IonicContact CZ-OE1 2.7Å; R268-E427 IonicContact NE-OE1 2.74Å; R268-E427 VanDerWaalsContact NH1-CD 3.26Å; R268-E427 IonicContact NH1-OE1 3.61Å; R268-E427 PolarHBondContact NH1-OE1 2.74Å; R268-E427 IonicContact NH1-OE2 3.17Å; R268-E427 PolarHBondContact NH1-OE2 2.82Å; R268-E427 VanDerWaalsContact NH1-OE2 3.13Å
269G96.1Very high93.7Very high4 Ų447.5 Ų47.54%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-170.7152.8176.900000111.7I425G269-I425 PolarHBondContact O-N 3.04Å
270T97.8Very high93.7Very high17 Ų1748.2 Ų48.210%0.10427%0.271CS..EExtended strand (participates in β ladder)trans-137.8148.8176.855.30000109.7H186 V267 H423 A424H186-T270 PolarHBondContact ND1-OG1 3.29Å; V267-T270 HydrophobicContact CG1-CG2 3.67Å; T270-H423 CarbonylContact C-O 3.49Å; T270-H423 VanDerWaalsContact CA-O 3.29Å; T270-H423 WeakPolarHBondContact CA-O 3.35Å; T270-A424 HydrophobicContact CG2-CB 3.8Å
271A98Very high93.8Very high8 Ų852.1 Ų52.17%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-140.3152.8173.600000110.7V292 Q295 A296 V422 H423A271-V292 HydrophobicContact CB-CG2 3.85Å; A271-V292 VanDerWaalsContact O-CG2 3.29Å; A271-V292 WeakPolarHBondContact O-CG2 3.46Å; A271-Q295 HydrophobicContact CB-CB 3.63Å; A271-A296 HydrophobicContact CB-CB 3.93Å; A271-V422 WeakPolarHBondContact O-CA 3.34Å; A271-V422 WeakPolarHBondContact O-CG1 3.34Å; A271-H423 PolarHBondContact N-O 3.08Å; A271-H423 PolarHBondContact O-N 3.45Å
272A97.9Very high93.8Very high38 Ų3852.9 Ų52.931%0.31429%0.287SS..EExtended strand (participates in β ladder)trans-135.6141.1175.300000110.4N421 V422A272-N421 CarbonylContact C-O 3.51Å; A272-N421 WeakPolarHBondContact CA-O 3.4Å; A272-V422 HydrophobicContact CB-CG1 4.37Å; A272-V422 HydrophobicContact CB-CG2 3.96Å
273N98Very high93.8Very high32 Ų3251.3 Ų51.317%0.17128%0.284CS..EExtended strand (participates in β ladder)trans-147.4-168.317580.614.3000112.5A288 V292 N421N273-A288 PolarHBondContact ND2-O 2.71Å; N273-V292 PolarHBondContact ND2-N 2.6Å; N273-N421 PolarHBondContact N-O 3.29Å; N273-N421 PolarHBondContact O-N 2.9Å; N273-N421 WeakPolarHBondContact OD1-CB 3.33Å; N273-N421 PolarHBondContact OD1-ND2 2.75Å; N273-N421 VanDerWaalsContact OD1-ND2 3.1Å
274Q96.9Very high93.7Very high90 Ų9051.6 Ų51.642%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-135.4137.7-177.2-123.6-76.1-21.300111.3G276 S418 G419Q274-G276 PolarHBondContact O-N 3.08Å; Q274-S418 PolarHBondContact NE2-O 2.94Å; Q274-G419 CarbonylContact C-O 3.52Å; Q274-G419 VanDerWaalsContact CA-O 3.26Å; Q274-G419 WeakPolarHBondContact CA-O 3.47Å; Q274-G419 VanDerWaalsContact CD-O 3.3Å; Q274-G419 PolarHBondContact NE2-O 2.84Å
275D95.2Very high93.7Very high19 Ų1952.7 Ų52.710%0.10229%0.294CS..  trans-61-28.4176.2-76.5-22.9000113.3T278 P284 S285 A288 G419 N421D275-T278 HydrophobicContact CB-CG2 4.18Å; D275-P284 WeakPolarHBondContact OD2-CA 3.18Å; D275-S285 VanDerWaalsContact OD1-CB 3.23Å; D275-S285 WeakPolarHBondContact OD1-CB 3.38Å; D275-S285 PolarHBondContact OD1-N 3Å; D275-S285 PolarHBondContact OD2-N 3.1Å; D275-A288 WeakPolarHBondContact OD1-CB 3.41Å; D275-G419 PolarHBondContact N-O 2.88Å; D275-G419 WeakPolarHBondContact OD2-CA 3.49Å; D275-N421 PolarHBondContact OD1-ND2 2.95Å
276G91.9Very high93.6Very high57 Ų5754.6 Ų54.659%0.58831%0.31SS*.  trans80-121.7-17900000112.2Q274Q274-G276 PolarHBondContact O-N 3.08Å
277R90.5Very high93.5Very high250 Ų25061.9 Ų61.994%0.94334%0.344SS*.SBendtrans-112.895.2-178.8-173177.7179121.75.3111.3
278T90.5Very high93.4Very high37 Ų3762.2 Ų62.223%0.22735%0.347CS..  trans-92.8-168.8172.154.10000111.2D275 N280 A283D275-T278 HydrophobicContact CB-CG2 4.18Å; T278-N280 PolarHBondContact OG1-O 2.85Å; T278-A283 WeakPolarHBondContact CB-O 3.46Å; T278-A283 VanDerWaalsContact CG2-O 3.27Å; T278-A283 WeakPolarHBondContact CG2-O 3.4Å; T278-A283 PolarHBondContact OG1-O 3.05Å
279V85.2Confident93.5Very high145 Ų14560 Ų6088%0.87934%0.339SS*.SBendtrans-68.1-38.4-172.3179.60000112.5
280N87.6Confident93.7Very high96 Ų9661.8 Ų61.851%0.51335%0.347SS..SBendtrans-141.5164.3167.674.568.5000107.8T278 A282 A283T278-N280 PolarHBondContact OG1-O 2.85Å; N280-A282 PolarHBondContact O-N 2.94Å; N280-A282 PolarHBondContact OD1-N 3.43Å; N280-A283 WeakPolarHBondContact O-CB 3.44Å; N280-A283 PolarHBondContact O-N 3.21Å; N280-A283 PolarHBondContact OD1-N 2.64Å
281I87.1Confident93.7Very high139 Ų13962.4 Ų62.471%0.71335%0.354SS*.THydrogen-bonded Turntrans-61.1-22-170-164.5166.4000115.1
282A88.3Confident93.7Very high40 Ų4062 Ų6233%0.33135%0.35SS..THydrogen-bonded Turntrans-104.16.2178.900000113.6N280 M417N280-A282 PolarHBondContact O-N 2.94Å; N280-A282 PolarHBondContact OD1-N 3.43Å; A282-M417 WeakPolarHBondContact CA-O 3.42Å
283A90.2Very high93.7Very high16 Ų1660.2 Ų60.213%0.13234%0.336CS..  trans-82.7121.6174.500000110.1T278 N280T278-A283 WeakPolarHBondContact CB-O 3.46Å; T278-A283 VanDerWaalsContact CG2-O 3.27Å; T278-A283 WeakPolarHBondContact CG2-O 3.4Å; T278-A283 PolarHBondContact OG1-O 3.05Å; N280-A283 WeakPolarHBondContact O-CB 3.44Å; N280-A283 PolarHBondContact O-N 3.21Å; N280-A283 PolarHBondContact OD1-N 2.64Å
284P93.3Very high93.7Very high33 Ų3363.9 Ų63.921%0.21435%0.352CS..  trans-72.5158.6-175.627.7-33.9000113.6D275 V323D275-P284 WeakPolarHBondContact OD2-CA 3.18Å; P284-V323 HydrophobicContact CB-CG1 4.13Å; P284-V323 HydrophobicContact CG-CB 4.11Å; P284-V323 HydrophobicContact CG-CG1 3.95Å; P284-V323 HydrophobicContact CG-CG2 4.4Å
285S95Very high93.7Very high25 Ų2564.1 Ų64.118%0.17535%0.353CS..  trans-113.1110.1178-173.50000112.8D275 Q287 A288 Q289D275-S285 VanDerWaalsContact OD1-CB 3.23Å; D275-S285 WeakPolarHBondContact OD1-CB 3.38Å; D275-S285 PolarHBondContact OD1-N 3Å; D275-S285 PolarHBondContact OD2-N 3.1Å; S285-Q287 PolarHBondContact O-N 3.12Å; S285-Q287 VanDerWaalsContact O-N 3.17Å; S285-A288 PolarHBondContact O-N 2.94Å; S285-Q289 PolarHBondContact O-N 3.17Å
286A94.6Very high93.8Very high40 Ų4063.2 Ų63.233%0.33135%0.348SS..Hα-helixtrans-53.9-37.7175.600000113Q289 I290 V323 S327A286-Q289 PolarHBondContact O-N 3.31Å; A286-I290 WeakPolarHBondContact O-CB 3.45Å; A286-I290 VanDerWaalsContact O-CG1 3.3Å; A286-I290 WeakPolarHBondContact O-CG1 3.38Å; A286-I290 PolarHBondContact O-N 3.34Å; A286-V323 HydrophobicContact CB-CG1 4.08Å; A286-S327 WeakPolarHBondContact CA-OG 3.45Å; A286-S327 VanDerWaalsContact CB-OG 3.27Å; A286-S327 WeakPolarHBondContact CB-OG 3.36Å; A286-S327 PolarHBondContact O-OG 3.16Å
287Q95.4Very high94.1Very high162 Ų16261.1 Ų61.176%0.75732%0.323SS*.Hα-helixtrans-67.3-36.1178.5-173.5178.2-0.800112.2S285 A291S285-Q287 PolarHBondContact O-N 3.12Å; S285-Q287 VanDerWaalsContact O-N 3.17Å; Q287-A291 VanDerWaalsContact O-CB 3.27Å; Q287-A291 WeakPolarHBondContact O-CB 3.41Å; Q287-A291 PolarHBondContact O-N 3.39Å; Q287-A291 VanDerWaalsContact O-N 3.12Å
288A97.3Very high94.4Very high11 Ų1152.8 Ų52.89%0.09131%0.308CS..Hα-helixtrans-75-38.2177.200000111.5N273 D275 S285 A291 V292N273-A288 PolarHBondContact ND2-O 2.71Å; D275-A288 WeakPolarHBondContact OD1-CB 3.41Å; S285-A288 PolarHBondContact O-N 2.94Å; A288-A291 PolarHBondContact O-N 3.12Å; A288-V292 PolarHBondContact O-N 3.49Å
289Q98.1Very high94.5Very high1 Ų152.4 Ų52.41%0.00531%0.309CS..Hα-helixtrans-58.6-54.9172.5-74.8179-5.900111.6S285 A286 A291 V292 Y293 V323 S327 Y415S285-Q289 PolarHBondContact O-N 3.17Å; A286-Q289 PolarHBondContact O-N 3.31Å; Q289-A291 PolarHBondContact O-N 2.95Å; Q289-V292 VanDerWaalsContact O-CG1 3.3Å; Q289-V292 WeakPolarHBondContact O-CG1 3.37Å; Q289-V292 PolarHBondContact O-N 3Å; Q289-V292 VanDerWaalsContact O-N 3.11Å; Q289-Y293 HydrophobicContact CB-CE1 4.46Å; Q289-Y293 HydrophobicContact CB-CE2 4.13Å; Q289-Y293 VanDerWaalsContact O-CD1 3.3Å; Q289-Y293 WeakPolarHBondContact O-CD1 3.48Å; Q289-Y293 VanDerWaalsContact O-CD2 3.32Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.48Å; Q289-Y293 PolarHBondContact O-N 3.12Å; Q289-V323 PolarHBondContact OE1-O 3.3Å; Q289-S327 PolarHBondContact OE1-OG 2.85Å; Q289-Y415 HydrophobicContact CG-CE1 4.18Å; Q289-Y415 HydrophobicContact CG-CE2 4.46Å
290I98.4Very high95Very high42 Ų4245.7 Ų45.722%0.21527%0.268CS..Hα-helixtrans-53.9-42.1174.5-68.4166.9000111.2A286 Y293 Q294 A330 V331A286-I290 WeakPolarHBondContact O-CB 3.45Å; A286-I290 VanDerWaalsContact O-CG1 3.3Å; A286-I290 WeakPolarHBondContact O-CG1 3.38Å; A286-I290 PolarHBondContact O-N 3.34Å; I290-Y293 PolarHBondContact O-N 2.98Å; I290-Q294 VanDerWaalsContact O-CG 3.32Å; I290-Q294 WeakPolarHBondContact O-CG 3.47Å; I290-Q294 PolarHBondContact O-N 2.72Å; I290-Q294 VanDerWaalsContact O-N 3.1Å; I290-A330 HydrophobicContact CD1-CB 3.82Å; I290-A330 HydrophobicContact CG1-CB 4.22Å; I290-V331 HydrophobicContact CG2-CG2 4.08Å
291A98.1Very high95.2Very high29 Ų2943.3 Ų43.324%0.2427%0.267CS..Hα-helixtrans-67.3-37.6179.300000113.6Q287 A288 Q289 Q295Q287-A291 VanDerWaalsContact O-CB 3.27Å; Q287-A291 WeakPolarHBondContact O-CB 3.41Å; Q287-A291 PolarHBondContact O-N 3.39Å; Q287-A291 VanDerWaalsContact O-N 3.12Å; A288-A291 PolarHBondContact O-N 3.12Å; Q289-A291 PolarHBondContact O-N 2.95Å; A291-Q295 WeakPolarHBondContact O-CB 3.44Å; A291-Q295 WeakPolarHBondContact O-CG 3.5Å; A291-Q295 PolarHBondContact O-N 3.12Å
292V98.4Very high95.4Very high0 Ų037.2 Ų37.20%024%0.236CC..Hα-helixtrans-72.7-35.3177.474.30000111.3A271 N273 A288 Q289 Q295 A296 N421 H423A271-V292 HydrophobicContact CB-CG2 3.85Å; A271-V292 VanDerWaalsContact O-CG2 3.29Å; A271-V292 WeakPolarHBondContact O-CG2 3.46Å; N273-V292 PolarHBondContact ND2-N 2.6Å; A288-V292 PolarHBondContact O-N 3.49Å; Q289-V292 VanDerWaalsContact O-CG1 3.3Å; Q289-V292 WeakPolarHBondContact O-CG1 3.37Å; Q289-V292 PolarHBondContact O-N 3Å; Q289-V292 VanDerWaalsContact O-N 3.11Å; V292-Q295 PolarHBondContact O-N 2.79Å; V292-A296 WeakPolarHBondContact O-CB 3.41Å; V292-A296 PolarHBondContact O-N 2.67Å; V292-N421 HydrophobicContact CG1-CB 4.09Å; V292-H423 HydrophobicContact CB-CB 4.5Å; V292-H423 HydrophobicContact CG1-CB 4.04Å; V292-H423 HydrophobicContact CG2-CB 3.93Å
293Y98.4Very high95.6Very high0 Ų042.2 Ų42.20%025%0.252CS..Hα-helixtrans-59.3-51.2173.2-52.4-25.3000111Q289 I290 Q295 A296 L297 S327 L328 V331 Y332 Y415 H423Q289-Y293 HydrophobicContact CB-CE1 4.46Å; Q289-Y293 HydrophobicContact CB-CE2 4.13Å; Q289-Y293 VanDerWaalsContact O-CD1 3.3Å; Q289-Y293 WeakPolarHBondContact O-CD1 3.48Å; Q289-Y293 VanDerWaalsContact O-CD2 3.32Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.48Å; Q289-Y293 PolarHBondContact O-N 3.12Å; I290-Y293 PolarHBondContact O-N 2.98Å; Y293-Q295 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 2.89Å; Y293-A296 PolarHBondContact O-N 2.58Å; Y293-L297 WeakPolarHBondContact O-CB 3.39Å; Y293-L297 WeakPolarHBondContact O-CG 3.5Å; Y293-L297 PolarHBondContact O-N 3.38Å; Y293-S327 WeakPolarHBondContact CE2-O 3.29Å; Y293-L328 HydrophobicContact CD2-CD2 4.18Å; Y293-L328 HydrophobicContact CE1-CD2 4Å; Y293-L328 HydrophobicContact CE2-CD2 3.56Å; Y293-L328 HydrophobicContact CE2-CG 4.02Å; Y293-L328 VanDerWaalsContact CZ-CD2 3.44Å; Y293-V331 HydrophobicContact CD2-CB 4.37Å; Y293-V331 HydrophobicContact CD2-CG2 4.04Å; Y293-Y332 HydrophobicContact CD2-CE2 4.1Å; Y293-Y332 AromaticContact CG-CE2 3.98Å; Y293-Y332 HydrophobicContact CG-CE2 3.98Å; Y293-Y415 PolarHBondContact OH-OH 3.25Å; Y293-H423 HydrophobicContact CD1-CB 4.35Å; Y293-H423 AromaticContact CD1-CD2 3.78Å; Y293-H423 AromaticContact CD1-CE1 3.53Å; Y293-H423 AromaticContact CD1-CG 3.66Å; Y293-H423 AromaticContact CD1-ND1 3.51Å; Y293-H423 AromaticContact CD1-NE2 3.68Å; Y293-H423 AromaticContact CE1-CE1 3.81Å; Y293-H423 AromaticContact CE1-ND1 3.71Å
294Q98Very high95.7Very high110 Ų11042.4 Ų42.451%0.51425%0.254SS..Hα-helixtrans-62.6-37.7179.1-71.1174.70.300112.3I290 A298I290-Q294 VanDerWaalsContact O-CG 3.32Å; I290-Q294 WeakPolarHBondContact O-CG 3.47Å; I290-Q294 PolarHBondContact O-N 2.72Å; I290-Q294 VanDerWaalsContact O-N 3.1Å; Q294-A298 VanDerWaalsContact O-CB 3.25Å; Q294-A298 WeakPolarHBondContact O-CB 3.4Å; Q294-A298 PolarHBondContact O-N 2.87Å
295Q97.4Very high95.5Very high95 Ų9541.9 Ų41.944%0.44425%0.251SS..Hα-helixtrans-67.3-42.6176.2-74.3169.324.400112.5A271 A291 V292 Y293 A298 A299A271-Q295 HydrophobicContact CB-CB 3.63Å; A291-Q295 WeakPolarHBondContact O-CB 3.44Å; A291-Q295 WeakPolarHBondContact O-CG 3.5Å; A291-Q295 PolarHBondContact O-N 3.12Å; V292-Q295 PolarHBondContact O-N 2.79Å; Y293-Q295 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 2.89Å; Q295-A298 PolarHBondContact O-N 3Å; Q295-A299 WeakPolarHBondContact O-CB 3.18Å; Q295-A299 PolarHBondContact O-N 3.15Å
296A97.4Very high95.4Very high0 Ų041.6 Ų41.60%025%0.248CC..Hα-helixtrans-67.6-41178.600000112.1A271 V292 Y293 A299 A300 H423 I425A271-A296 HydrophobicContact CB-CB 3.93Å; V292-A296 WeakPolarHBondContact O-CB 3.41Å; V292-A296 PolarHBondContact O-N 2.67Å; Y293-A296 PolarHBondContact O-N 2.58Å; A296-A299 PolarHBondContact O-N 3.22Å; A296-A300 VanDerWaalsContact O-CB 3.23Å; A296-A300 WeakPolarHBondContact O-CB 3.34Å; A296-A300 PolarHBondContact O-N 3.29Å; A296-H423 HydrophobicContact CB-CB 4.06Å; A296-I425 HydrophobicContact CB-CD1 4.42Å; A296-I425 HydrophobicContact CB-CG1 3.98Å
297L97.3Very high95.4Very high13 Ų1339.8 Ų39.87%0.06823%0.233CC..Hα-helixtrans-61.2-44.2172.9-73166.9000112.1Y293 A300 G301 V302 A304 V307 V331 Y332 I425Y293-L297 WeakPolarHBondContact O-CB 3.39Å; Y293-L297 WeakPolarHBondContact O-CG 3.5Å; Y293-L297 PolarHBondContact O-N 3.38Å; L297-A300 PolarHBondContact O-N 3.49Å; L297-G301 PolarHBondContact O-N 2.77Å; L297-V302 HydrophobicContact CD2-CB 4.25Å; L297-V302 HydrophobicContact CD2-CG1 3.94Å; L297-V302 PolarHBondContact O-N 3.14Å; L297-V302 VanDerWaalsContact O-N 3.13Å; L297-A304 HydrophobicContact CD1-CB 3.85Å; L297-V307 HydrophobicContact CD2-CG2 4.21Å; L297-V331 HydrophobicContact CD1-CG1 3.76Å; L297-Y332 HydrophobicContact CD1-CE1 4.07Å; L297-Y332 HydrophobicContact CD2-CE1 4.28Å; L297-I425 HydrophobicContact CD2-CD1 3.74Å; L297-I425 HydrophobicContact CD2-CG1 4.17Å; L297-I425 HydrophobicContact CG-CD1 4.04Å; L297-I425 HydrophobicContact CG-CG1 4.45Å
298A95.8Very high95.4Very high75 Ų7532.1 Ų32.162%0.6220%0.197SC*.Hα-helixtrans-66.6-38.8176.800000112.9Q294 Q295 A300 G301Q294-A298 VanDerWaalsContact O-CB 3.25Å; Q294-A298 WeakPolarHBondContact O-CB 3.4Å; Q294-A298 PolarHBondContact O-N 2.87Å; Q295-A298 PolarHBondContact O-N 3Å; A298-A300 VanDerWaalsContact C-N 3.34Å; A298-G301 PolarHBondContact O-N 3.36Å
299A93.9Very high95.3Very high29 Ų2931.6 Ų31.624%0.2419%0.193CC..Hα-helixtrans-66-37.2174.500000112.1A6 Q295 A296A6-A299 PolarHBondContact N-O 2.78Å; Q295-A299 WeakPolarHBondContact O-CB 3.18Å; Q295-A299 PolarHBondContact O-N 3.15Å; A296-A299 PolarHBondContact O-N 3.22Å
300A94.4Very high95.4Very high3 Ų331.5 Ų31.53%0.02519%0.193CC..Hα-helixtrans-74.1-26177.300000114R268 A296 L297 A298 V302 I425R268-A300 HydrophobicContact CB-CB 3.82Å; R268-A300 PolarHBondContact NH2-O 3.4Å; R268-A300 WeakPolarHBondContact O-CA 3.4Å; A296-A300 VanDerWaalsContact O-CB 3.23Å; A296-A300 WeakPolarHBondContact O-CB 3.34Å; A296-A300 PolarHBondContact O-N 3.29Å; L297-A300 PolarHBondContact O-N 3.49Å; A298-A300 VanDerWaalsContact C-N 3.34Å; A300-V302 HydrophobicContact CB-CB 4.11Å; A300-V302 HydrophobicContact CB-CG2 3.81Å; A300-I425 HydrophobicContact CB-CB 3.93Å; A300-I425 HydrophobicContact CB-CG1 4.18Å; A300-I425 HydrophobicContact CB-CG2 4.04Å
301G92.3Very high95.4Very high47 Ų4729.6 Ų29.649%0.48518%0.183SC..THydrogen-bonded Turntrans6649.6-168.600000111.7L297 A298L297-G301 PolarHBondContact O-N 2.77Å; A298-G301 PolarHBondContact O-N 3.36Å
302V91.8Very high95.4Very high10 Ų1028.3 Ų28.36%0.06117%0.172CC..  trans-129.9131.3-173.71690000110.3L297 A300 V307 I425L297-V302 HydrophobicContact CD2-CB 4.25Å; L297-V302 HydrophobicContact CD2-CG1 3.94Å; L297-V302 PolarHBondContact O-N 3.14Å; L297-V302 VanDerWaalsContact O-N 3.13Å; A300-V302 HydrophobicContact CB-CB 4.11Å; A300-V302 HydrophobicContact CB-CG2 3.81Å; V302-V307 HydrophobicContact CG1-CG2 4.18Å; V302-I425 HydrophobicContact CB-CG2 4.31Å; V302-I425 HydrophobicContact CG1-CG2 4.21Å; V302-I425 HydrophobicContact CG2-CG2 4.19Å
303E91.9Very high95.3Very high145 Ų14529.3 Ų29.368%0.67818%0.176SC*.  trans-78.4136.4172-61.1-63.6172.300110.8S305 T306E303-S305 VanDerWaalsContact C-N 3.31Å; E303-S305 PolarHBondContact O-N 3.09Å; E303-T306 HydrophobicContact CB-CG2 4.33Å; E303-T306 PolarHBondContact O-N 3.38Å; E303-T306 PolarHBondContact O-OG1 2.96Å
304A92.3Very high95.2Very high20 Ų2029.3 Ų29.317%0.16518%0.176CC..G310 helixtrans-60.1-36.6-172.600000113.6L297 T306 V307 V331 Y332L297-A304 HydrophobicContact CD1-CB 3.85Å; A304-T306 PolarHBondContact O-N 2.86Å; A304-T306 VanDerWaalsContact O-N 3.17Å; A304-V307 WeakPolarHBondContact O-CB 3.28Å; A304-V307 PolarHBondContact O-N 3.29Å; A304-V331 HydrophobicContact CB-CG1 4.12Å; A304-V331 VanDerWaalsContact CB-O 3.29Å; A304-V331 WeakPolarHBondContact CB-O 3.3Å; A304-Y332 HydrophobicContact CB-CD1 4.31Å; A304-Y332 HydrophobicContact CB-CE1 4.43Å
305S90.5Very high95Very high22 Ų2224.5 Ų24.515%0.15416%0.155CC..G310 helixtrans-67.6-10.717846.80000114.4E303 E335 N403E303-S305 VanDerWaalsContact C-N 3.31Å; E303-S305 PolarHBondContact O-N 3.09Å; S305-E335 WeakPolarHBondContact CB-OE2 3.31Å; S305-E335 PolarHBondContact OG-OE2 2.87Å; S305-N403 PolarHBondContact O-ND2 3.46Å
306T91.7Very high94.9Very high20 Ų2020 Ų2012%0.12313%0.133CC..G310 helixtrans-87.8-5.2171.169.40000114E303 A304 T404 Q406 R409E303-T306 HydrophobicContact CB-CG2 4.33Å; E303-T306 PolarHBondContact O-N 3.38Å; E303-T306 PolarHBondContact O-OG1 2.96Å; A304-T306 PolarHBondContact O-N 2.86Å; A304-T306 VanDerWaalsContact O-N 3.17Å; T306-T404 HydrophobicContact CG2-CG2 4.43Å; T306-Q406 HydrophobicContact CG2-CG 4.2Å; T306-R409 PolarHBondContact OG1-NH1 2.87Å
307V94.7Very high94.8Very high1 Ų121.4 Ų21.41%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-87.5113.8175.2178.50000109L297 V302 A304 M309 V310 Y332 C338 R409 A411L297-V307 HydrophobicContact CD2-CG2 4.21Å; V302-V307 HydrophobicContact CG1-CG2 4.18Å; A304-V307 WeakPolarHBondContact O-CB 3.28Å; A304-V307 PolarHBondContact O-N 3.29Å; V307-M309 VanDerWaalsContact CG1-O 3.32Å; V307-M309 WeakPolarHBondContact CG1-O 3.29Å; V307-V310 HydrophobicContact CG1-CG2 4.45Å; V307-Y332 HydrophobicContact CB-CD1 3.98Å; V307-Y332 HydrophobicContact CB-CE1 4.04Å; V307-Y332 HydrophobicContact CG1-CD1 4.07Å; V307-Y332 HydrophobicContact CG1-CE1 4.05Å; V307-Y332 HydrophobicContact CG2-CD1 4.44Å; V307-Y332 HydrophobicContact CG2-CE1 4.04Å; V307-C338 PolarHBondContact O-SG 3.16Å; V307-C338 VanDerWaalsContact O-SG 3.37Å; V307-R409 WeakPolarHBondContact CA-O 3.48Å; V307-R409 HydrophobicContact CG2-CB 4.41Å; V307-A411 HydrophobicContact CG1-CB 4.23Å
308G94.5Very high94.4Very high1 Ų124.7 Ų24.71%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-95.3-5.6-176.900000114.8A339 P401 R409G308-A339 PolarHBondContact O-N 2.88Å; G308-P401 WeakPolarHBondContact O-CG 3.22Å; G308-R409 PolarHBondContact N-O 2.89Å
309M96.9Very high94.1Very high0 Ų025.8 Ų25.80%016%0.163CC..EExtended strand (participates in β ladder)trans-150.3138179.1174.3-176.3163.200111V307 E311 A339 T341 A365 V371 W400 A410 A411V307-M309 VanDerWaalsContact CG1-O 3.32Å; V307-M309 WeakPolarHBondContact CG1-O 3.29Å; M309-E311 HydrophobicContact CE-CB 4.22Å; M309-A339 CarbonylContact C-O 2.97Å; M309-A339 VanDerWaalsContact CA-O 3.3Å; M309-A339 WeakPolarHBondContact CA-O 3.49Å; M309-T341 HydrophobicContact CE-CG2 3.83Å; M309-A365 HydrophobicContact CE-CB 4.49Å; M309-A365 HydrophobicContact SD-CB 3.95Å; M309-V371 HydrophobicContact CB-CG2 4.41Å; M309-V371 HydrophobicContact CG-CG1 4.36Å; M309-V371 HydrophobicContact CG-CG2 4.43Å; M309-V371 HydrophobicContact SD-CG1 3.98Å; M309-V371 HydrophobicContact SD-CG2 4.04Å; M309-W400 HydrophobicContact CB-CH2 3.95Å; M309-W400 HydrophobicContact CB-CZ2 4.18Å; M309-W400 HydrophobicContact SD-CH2 4.2Å; M309-W400 HydrophobicContact SD-CZ3 4.2Å; M309-A410 HydrophobicContact CB-CB 4.04Å; M309-A410 HydrophobicContact CG-CB 4.45Å; M309-A410 CarbonylContact O-C 3.59Å; M309-A410 WeakPolarHBondContact O-CA 3.46Å; M309-A410 WeakPolarHBondContact O-CB 3.34Å; M309-A411 PolarHBondContact O-N 2.99Å
310V98.5Very high94.1Very high0 Ų025.1 Ų25.10%016%0.159CC..EExtended strand (participates in β ladder)trans-118.6118.8164.3-177.90000109.3V307 A312 L328 Y332 A339 L340 T341 A411V307-V310 HydrophobicContact CG1-CG2 4.45Å; V310-A312 PolarHBondContact O-N 3.27Å; V310-L328 HydrophobicContact CG1-CD1 4.09Å; V310-L328 HydrophobicContact CG1-CD2 3.91Å; V310-Y332 HydrophobicContact CG2-CD1 4.33Å; V310-Y332 HydrophobicContact CG2-CD2 4.06Å; V310-Y332 HydrophobicContact CG2-CE2 4.43Å; V310-Y332 HydrophobicContact CG2-CG 4Å; V310-A339 PolarHBondContact N-O 3.31Å; V310-L340 HydrophobicContact CB-CD1 4.3Å; V310-L340 HydrophobicContact CG1-CD1 4.46Å; V310-T341 PolarHBondContact O-N 3.03Å; V310-T341 VanDerWaalsContact O-N 3.09Å; V310-A411 HydrophobicContact CG2-CB 4.36Å
311E98.5Very high94.1Very high2 Ų225 Ų251%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-82.7103.7162.2-177.964.9-160.300108.1M309 T341 V343 K361 T362 A411 V412 S413M309-E311 HydrophobicContact CE-CB 4.22Å; E311-T341 CarbonylContact C-O 3.52Å; E311-T341 WeakPolarHBondContact CA-O 3.45Å; E311-V343 VanDerWaalsContact OE1-CB 3.29Å; E311-V343 WeakPolarHBondContact OE1-CB 3.43Å; E311-V343 WeakPolarHBondContact OE1-CG1 3.17Å; E311-V343 PolarHBondContact OE1-N 2.9Å; E311-K361 IonicContact OE1-NZ 3.47Å; E311-K361 PolarHBondContact OE1-NZ 3.15Å; E311-K361 WeakPolarHBondContact OE2-CD 3.18Å; E311-K361 WeakPolarHBondContact OE2-CE 3.35Å; E311-K361 IonicContact OE2-NZ 3.1Å; E311-K361 PolarHBondContact OE2-NZ 3.45Å; E311-T362 WeakPolarHBondContact CB-OG1 3.4Å; E311-A411 PolarHBondContact N-O 3.13Å; E311-V412 HydrophobicContact CB-CB 4.5Å; E311-V412 HydrophobicContact CB-CG1 4.38Å; E311-V412 HydrophobicContact CB-CG2 4.13Å; E311-V412 HydrophobicContact CG-CG1 4.29Å; E311-V412 WeakPolarHBondContact O-CA 3.3Å; E311-S413 PolarHBondContact O-N 2.92Å
312A98.2Very high94.3Very high1 Ų124.8 Ų24.81%0.00815%0.148CC..  trans-83.4168.9-171.100000113.1F232 V310 G314 L328 L340 T341F232-A312 HydrophobicContact CE2-CB 3.81Å; F232-A312 HydrophobicContact CZ-CB 3.62Å; V310-A312 PolarHBondContact O-N 3.27Å; A312-G314 VanDerWaalsContact C-N 3.35Å; A312-L328 HydrophobicContact CB-CD1 4.33Å; A312-L340 HydrophobicContact CB-CD1 3.81Å; A312-T341 PolarHBondContact N-O 2.68Å
313H97.6Very high94.4Very high21 Ų2126.1 Ų26.110%0.09716%0.156CC..  trans-68.2-39165.5-17171.6000110.4T315 E324 K344 H349 S414 Y415H313-T315 WeakPolarHBondContact NE2-CG2 3.44Å; H313-T315 PolarHBondContact O-N 3.24Å; H313-E324 PolarHBondContact N-OE1 3.28Å; H313-E324 PolarHBondContact N-OE2 3.12Å; H313-K344 WeakPolarHBondContact O-CD 3.39Å; H313-K344 WeakPolarHBondContact O-CE 3.47Å; H313-K344 PolarHBondContact O-NZ 3.26Å; H313-H349 AromaticContact CE1-NE2 3.74Å; H313-H349 AromaticContact NE2-NE2 3.97Å; H313-S414 PolarHBondContact ND1-OG 3.39Å; H313-Y415 HydrophobicContact CB-CD2 3.44Å; H313-Y415 VanDerWaalsContact CB-CD2 3.44Å; H313-Y415 HydrophobicContact CB-CE2 3.32Å; H313-Y415 HydrophobicContact CB-CG 4.21Å; H313-Y415 AromaticContact CD2-CD2 3.76Å; H313-Y415 PolarHBondContact CE1-O 2.93Å; H313-Y415 AromaticContact CG-CD2 3.63Å; H313-Y415 PolarHBondContact ND1-N 2.61Å
314G95.7Very high94.7Very high0 Ų019.3 Ų19.30%013%0.125CC..  trans37.471.7156.900000114.4A312 E324 S342A312-G314 VanDerWaalsContact C-N 3.35Å; G314-E324 PolarHBondContact N-OE2 2.65Å; G314-S342 VanDerWaalsContact O-CB 3.25Å; G314-S342 WeakPolarHBondContact O-CB 3.36Å; G314-S342 PolarHBondContact O-OG 2.77Å
315T94.8Very high94.9Very high9 Ų918.8 Ų18.86%0.05512%0.118CC..  trans-88.7-23.6-170.1440000114.4C229 F239 H313 T317 D321 K344C229-T315 WeakPolarHBondContact CB-O 3.27Å; C229-T315 PolarHBondContact SG-O 2.83Å; F239-T315 WeakPolarHBondContact CB-O 3.44Å; H313-T315 WeakPolarHBondContact NE2-CG2 3.44Å; H313-T315 PolarHBondContact O-N 3.24Å; T315-T317 WeakPolarHBondContact OG1-CG2 3.21Å; T315-T317 PolarHBondContact OG1-N 3.31Å; T315-T317 PolarHBondContact OG1-OG1 2.85Å; T315-D321 PolarHBondContact N-OD1 2.85Å; T315-D321 PolarHBondContact N-OD2 3.01Å; T315-D321 PolarHBondContact OG1-OD1 2.93Å; T315-K344 HydrophobicContact CG2-CD 4.33Å
316G95.1Very high95.2Very high0 Ų019.7 Ų19.70%013%0.127CC..  trans82.219.4-162.400000113.5A236 D237 G238 D321A236-G316 CarbonylContact C-O 3.56Å; A236-G316 VanDerWaalsContact CA-O 3.23Å; A236-G316 WeakPolarHBondContact CA-O 3.4Å; A236-G316 WeakPolarHBondContact CB-O 3.36Å; D237-G316 PolarHBondContact N-O 3.32Å; G238-G316 CarbonylContact C-O 3.54Å; G238-G316 PolarHBondContact N-O 3.41Å; G238-G316 CarbonylContact O-C 3.47Å; G238-G316 VanDerWaalsContact O-C 3.29Å; G316-D321 WeakPolarHBondContact CA-OD2 3.41Å; G316-D321 VanDerWaalsContact N-CG 3.28Å; G316-D321 PolarHBondContact N-OD1 3.23Å; G316-D321 PolarHBondContact N-OD2 2.87Å
317T93.7Very high95.5Very high30 Ų3018.7 Ų18.718%0.18412%0.121CC..  trans-92.6134.7-178.560.50000111.9F239 T315 V319 G320 D321F239-T317 HydrophobicContact CD1-CG2 4.43Å; T315-T317 WeakPolarHBondContact OG1-CG2 3.21Å; T315-T317 PolarHBondContact OG1-N 3.31Å; T315-T317 PolarHBondContact OG1-OG1 2.85Å; T317-V319 PolarHBondContact O-N 3.4Å; T317-G320 PolarHBondContact O-N 2.97Å; T317-G320 WeakPolarHBondContact OG1-CA 3.4Å; T317-G320 PolarHBondContact OG1-N 2.81Å; T317-D321 PolarHBondContact N-OD1 2.91Å; T317-D321 WeakPolarHBondContact O-CB 3.45Å; T317-D321 PolarHBondContact O-N 3.44Å; T317-D321 VanDerWaalsContact O-N 3.11Å
318P90.5Very high95.6Very high83 Ų8318.7 Ų18.754%0.53912%0.121SC..THydrogen-bonded Turntrans-67.9-8.2-172.723.9-32.9000115A236A236-P318 WeakPolarHBondContact O-CB 3.27Å; A236-P318 WeakPolarHBondContact O-CD 3.44Å
319V89.3Confident95.7Very high97 Ų9719.1 Ų19.159%0.58812%0.124SC*.THydrogen-bonded Turntrans-113.1-35.1176.2-179.20000111.8T317 V323T317-V319 PolarHBondContact O-N 3.4Å; V319-V323 WeakPolarHBondContact O-CG2 3.3Å
320G92.6Very high95.7Very high15 Ų1521.9 Ų21.916%0.15515%0.147CC..Hα-helixtrans-77.3-50.4-177.100000112.8T317 V323 E324T317-G320 PolarHBondContact O-N 2.97Å; T317-G320 WeakPolarHBondContact OG1-CA 3.4Å; T317-G320 PolarHBondContact OG1-N 2.81Å; G320-V323 PolarHBondContact O-N 3.01Å; G320-V323 VanDerWaalsContact O-N 3.12Å; G320-E324 PolarHBondContact O-N 3.07Å
321D95.6Very high95.6Very high2 Ų222.6 Ų22.61%0.01115%0.152CC..Hα-helixtrans-62.1-39.3-174.8-72.147.9000112.9A231 F232 T315 G316 T317 E324 Y325A231-D321 WeakPolarHBondContact CA-OD2 3.41Å; F232-D321 HydrophobicContact CD1-CB 3.94Å; F232-D321 HydrophobicContact CE1-CB 4.15Å; F232-D321 WeakPolarHBondContact CE1-O 3.29Å; F232-D321 PolarHBondContact N-OD2 2.9Å; T315-D321 PolarHBondContact N-OD1 2.85Å; T315-D321 PolarHBondContact N-OD2 3.01Å; T315-D321 PolarHBondContact OG1-OD1 2.93Å; G316-D321 WeakPolarHBondContact CA-OD2 3.41Å; G316-D321 VanDerWaalsContact N-CG 3.28Å; G316-D321 PolarHBondContact N-OD1 3.23Å; G316-D321 PolarHBondContact N-OD2 2.87Å; T317-D321 PolarHBondContact N-OD1 2.91Å; T317-D321 WeakPolarHBondContact O-CB 3.45Å; T317-D321 PolarHBondContact O-N 3.44Å; T317-D321 VanDerWaalsContact O-N 3.11Å; D321-E324 PolarHBondContact O-N 3.36Å; D321-Y325 WeakPolarHBondContact O-CB 3.41Å; D321-Y325 PolarHBondContact O-N 2.97Å
322P95.1Very high95.5Very high41 Ų4122.5 Ų22.527%0.26615%0.151SC..Hα-helixtrans-64.8-36172.1-24.936.1000114.6A326 L384P322-A326 WeakPolarHBondContact O-CB 3.5Å; P322-A326 PolarHBondContact O-N 2.58Å; P322-L384 HydrophobicContact CB-CD1 4.19Å; P322-L384 HydrophobicContact CB-CD2 4.11Å; P322-L384 HydrophobicContact CG-CD1 4.42Å
323V94.9Very high95.1Very high38 Ų3822.6 Ų22.623%0.2315%0.153CC..Hα-helixtrans-69.3-42.7177.1169.10000110.5P284 A286 Q289 V319 G320 S327P284-V323 HydrophobicContact CB-CG1 4.13Å; P284-V323 HydrophobicContact CG-CB 4.11Å; P284-V323 HydrophobicContact CG-CG1 3.95Å; P284-V323 HydrophobicContact CG-CG2 4.4Å; A286-V323 HydrophobicContact CB-CG1 4.08Å; Q289-V323 PolarHBondContact OE1-O 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.3Å; G320-V323 PolarHBondContact O-N 3.01Å; G320-V323 VanDerWaalsContact O-N 3.12Å; V323-S327 VanDerWaalsContact O-CB 3.29Å; V323-S327 WeakPolarHBondContact O-CB 3.23Å; V323-S327 PolarHBondContact O-N 3.45Å; V323-S327 VanDerWaalsContact O-N 3.11Å; V323-S327 PolarHBondContact O-OG 3.18Å
324E97.3Very high94.8Very high3 Ų325.3 Ų25.31%0.01417%0.171CC..Hα-helixtrans-65.3-47.4175.7176164.8-140.100111.9F232 H313 G314 G320 D321 A326 S327 L328 Y415F232-E324 HydrophobicContact CE1-CB 4.32Å; F232-E324 HydrophobicContact CE1-CG 4.22Å; F232-E324 HydrophobicContact CZ-CG 4.24Å; H313-E324 PolarHBondContact N-OE1 3.28Å; H313-E324 PolarHBondContact N-OE2 3.12Å; G314-E324 PolarHBondContact N-OE2 2.65Å; G320-E324 PolarHBondContact O-N 3.07Å; D321-E324 PolarHBondContact O-N 3.36Å; E324-A326 PolarHBondContact O-N 2.86Å; E324-S327 PolarHBondContact O-N 3.48Å; E324-S327 VanDerWaalsContact O-N 3.15Å; E324-L328 HydrophobicContact CG-CD1 3.61Å; E324-L328 HydrophobicContact CG-CG 4.11Å; E324-L328 WeakPolarHBondContact O-CB 3.35Å; E324-L328 WeakPolarHBondContact O-CG 3.45Å; E324-L328 PolarHBondContact O-N 3.46Å; E324-Y415 HydrophobicContact CB-CE2 4.36Å; E324-Y415 HydrophobicContact CG-CE2 4.14Å; E324-Y415 VanDerWaalsContact OE1-CE2 3.23Å; E324-Y415 WeakPolarHBondContact OE1-CE2 3.44Å; E324-Y415 VanDerWaalsContact OE1-CZ 3.28Å; E324-Y415 PolarHBondContact OE1-OH 2.86Å
325Y97.5Very high94.3Very high8 Ų832.4 Ų32.43%0.03120%0.204CC..Hα-helixtrans-58-49.8-179.4-172.2-84000111.7F232 D321 S327 L328 A329 L340 L380 L384 I387 T389F232-Y325 HydrophobicContact CD1-CD2 4.08Å; F232-Y325 HydrophobicContact CG-CD2 4.43Å; D321-Y325 WeakPolarHBondContact O-CB 3.41Å; D321-Y325 PolarHBondContact O-N 2.97Å; Y325-S327 VanDerWaalsContact C-N 3.28Å; Y325-S327 PolarHBondContact O-N 3.44Å; Y325-L328 PolarHBondContact O-N 3.32Å; Y325-A329 WeakPolarHBondContact O-CB 3.49Å; Y325-A329 PolarHBondContact O-N 3.38Å; Y325-L340 HydrophobicContact CD2-CD2 3.49Å; Y325-L340 VanDerWaalsContact CD2-CD2 3.49Å; Y325-L340 HydrophobicContact CE2-CD2 3.71Å; Y325-L380 HydrophobicContact CD2-CD2 4.02Å; Y325-L380 HydrophobicContact CE2-CD1 4.2Å; Y325-L380 HydrophobicContact CE2-CD2 3.62Å; Y325-L380 WeakPolarHBondContact OH-CD1 3.3Å; Y325-L384 HydrophobicContact CD1-CB 3.95Å; Y325-L384 HydrophobicContact CD1-CD1 4.28Å; Y325-L384 HydrophobicContact CD1-CD2 4.03Å; Y325-L384 HydrophobicContact CD1-CG 4.31Å; Y325-L384 HydrophobicContact CE1-CB 4.11Å; Y325-L384 HydrophobicContact CG-CD1 4.09Å; Y325-L384 HydrophobicContact CG-CD2 4.49Å; Y325-I387 HydrophobicContact CD1-CD1 4.06Å; Y325-I387 HydrophobicContact CE1-CD1 4.25Å; Y325-T389 HydrophobicContact CE1-CG2 4.37Å
326A95.9Very high93.8Very high41 Ų4132.3 Ų32.334%0.33920%0.204SC..Hα-helixtrans-63.7-34178.100000112.6P322 E324 A330 I387P322-A326 WeakPolarHBondContact O-CB 3.5Å; P322-A326 PolarHBondContact O-N 2.58Å; E324-A326 PolarHBondContact O-N 2.86Å; A326-A330 PolarHBondContact O-N 3.05Å; A326-I387 HydrophobicContact CB-CD1 4.05Å
327S97.9Very high93.7Very high0 Ų034.6 Ų34.60%022%0.22CC..Hα-helixtrans-71.6-37.5176.6-58.80000112.5A286 Q289 Y293 V323 E324 Y325A286-S327 WeakPolarHBondContact CA-OG 3.45Å; A286-S327 VanDerWaalsContact CB-OG 3.27Å; A286-S327 WeakPolarHBondContact CB-OG 3.36Å; A286-S327 PolarHBondContact O-OG 3.16Å; Q289-S327 PolarHBondContact OE1-OG 2.85Å; Y293-S327 WeakPolarHBondContact CE2-O 3.29Å; V323-S327 VanDerWaalsContact O-CB 3.29Å; V323-S327 WeakPolarHBondContact O-CB 3.23Å; V323-S327 PolarHBondContact O-N 3.45Å; V323-S327 VanDerWaalsContact O-N 3.11Å; V323-S327 PolarHBondContact O-OG 3.18Å; E324-S327 PolarHBondContact O-N 3.48Å; E324-S327 VanDerWaalsContact O-N 3.15Å; Y325-S327 VanDerWaalsContact C-N 3.28Å; Y325-S327 PolarHBondContact O-N 3.44Å
328L97.9Very high93.8Very high0 Ų033.2 Ų33.20%021%0.211CC..Hα-helixtrans-70.9-44.5176.7-73.2172.8000110.9Y293 V310 A312 E324 Y325 A330 V331 Y332 L340 L391Y293-L328 HydrophobicContact CD2-CD2 4.18Å; Y293-L328 HydrophobicContact CE1-CD2 4Å; Y293-L328 HydrophobicContact CE2-CD2 3.56Å; Y293-L328 HydrophobicContact CE2-CG 4.02Å; Y293-L328 VanDerWaalsContact CZ-CD2 3.44Å; V310-L328 HydrophobicContact CG1-CD1 4.09Å; V310-L328 HydrophobicContact CG1-CD2 3.91Å; A312-L328 HydrophobicContact CB-CD1 4.33Å; E324-L328 HydrophobicContact CG-CD1 3.61Å; E324-L328 HydrophobicContact CG-CG 4.11Å; E324-L328 WeakPolarHBondContact O-CB 3.35Å; E324-L328 WeakPolarHBondContact O-CG 3.45Å; E324-L328 PolarHBondContact O-N 3.46Å; Y325-L328 PolarHBondContact O-N 3.32Å; L328-A330 PolarHBondContact O-N 3.29Å; L328-V331 PolarHBondContact O-N 2.88Å; L328-Y332 HydrophobicContact CD2-CD2 3.7Å; L328-Y332 HydrophobicContact CD2-CE2 3.84Å; L328-Y332 PolarHBondContact O-N 3.34Å; L328-L340 HydrophobicContact CD1-CD1 3.55Å; L328-L391 HydrophobicContact CB-CD1 3.87Å
329A96.6Very high94.1Very high10 Ų1029.3 Ų29.38%0.08319%0.186CC..Hα-helixtrans-60.9-25.7177.300000113.3Y325 V331 I387 T389 L391Y325-A329 WeakPolarHBondContact O-CB 3.49Å; Y325-A329 PolarHBondContact O-N 3.38Å; A329-V331 PolarHBondContact O-N 2.74Å; A329-I387 HydrophobicContact CB-CG2 3.76Å; A329-T389 HydrophobicContact CB-CG2 3.99Å; A329-L391 HydrophobicContact CB-CD1 4Å
330A95.6Very high94.5Very high59 Ų5924.7 Ų24.749%0.48816%0.158SC..THydrogen-bonded Turntrans-75.4-2.7174.400000114.5I290 A326 L328I290-A330 HydrophobicContact CD1-CB 3.82Å; I290-A330 HydrophobicContact CG1-CB 4.22Å; A326-A330 PolarHBondContact O-N 3.05Å; L328-A330 PolarHBondContact O-N 3.29Å
331V97.3Very high94.8Very high14 Ų1424 Ų249%0.08515%0.15CC..THydrogen-bonded Turntrans-135.1-47.8-177.3-179.70000112.2I290 Y293 L297 A304 L328 A329 T334I290-V331 HydrophobicContact CG2-CG2 4.08Å; Y293-V331 HydrophobicContact CD2-CB 4.37Å; Y293-V331 HydrophobicContact CD2-CG2 4.04Å; L297-V331 HydrophobicContact CD1-CG1 3.76Å; A304-V331 HydrophobicContact CB-CG1 4.12Å; A304-V331 VanDerWaalsContact CB-O 3.29Å; A304-V331 WeakPolarHBondContact CB-O 3.3Å; L328-V331 PolarHBondContact O-N 2.88Å; A329-V331 PolarHBondContact O-N 2.74Å; V331-T334 PolarHBondContact O-OG1 2.97Å
332Y95.9Very high94.9Very high0 Ų023.9 Ų23.90%015%0.15CC..SBendtrans-106.6158-177.4-54.6-78.1000111.2Y293 L297 A304 V307 V310 L328 T334 H423Y293-Y332 HydrophobicContact CD2-CE2 4.1Å; Y293-Y332 AromaticContact CG-CE2 3.98Å; Y293-Y332 HydrophobicContact CG-CE2 3.98Å; L297-Y332 HydrophobicContact CD1-CE1 4.07Å; L297-Y332 HydrophobicContact CD2-CE1 4.28Å; A304-Y332 HydrophobicContact CB-CD1 4.31Å; A304-Y332 HydrophobicContact CB-CE1 4.43Å; V307-Y332 HydrophobicContact CB-CD1 3.98Å; V307-Y332 HydrophobicContact CB-CE1 4.04Å; V307-Y332 HydrophobicContact CG1-CD1 4.07Å; V307-Y332 HydrophobicContact CG1-CE1 4.05Å; V307-Y332 HydrophobicContact CG2-CD1 4.44Å; V307-Y332 HydrophobicContact CG2-CE1 4.04Å; V310-Y332 HydrophobicContact CG2-CD1 4.33Å; V310-Y332 HydrophobicContact CG2-CD2 4.06Å; V310-Y332 HydrophobicContact CG2-CE2 4.43Å; V310-Y332 HydrophobicContact CG2-CG 4Å; L328-Y332 HydrophobicContact CD2-CD2 3.7Å; L328-Y332 HydrophobicContact CD2-CE2 3.84Å; L328-Y332 PolarHBondContact O-N 3.34Å; Y332-T334 VanDerWaalsContact C-N 3.33Å; Y332-H423 AromaticContact CZ-NE2 3.8Å; Y332-H423 PolarHBondContact OH-NE2 3.19Å
333G91.2Very high95Very high4 Ų422 Ų224%0.04114%0.138CC..SBendtrans67.932.4-175.700000113.1G336 T389 E390G333-G336 WeakPolarHBondContact CA-O 3.4Å; G333-T389 PolarHBondContact O-OG1 2.99Å; G333-E390 PolarHBondContact O-N 3Å
334T89.4Confident95.2Very high77 Ų7720.5 Ų20.547%0.47213%0.128SC..SBendtrans-107.2-20.3-170.744.10000114.4V331 Y332V331-T334 PolarHBondContact O-OG1 2.97Å; Y332-T334 VanDerWaalsContact C-N 3.33Å
335E85.9Confident95.2Very high149 Ų14920.4 Ų20.470%0.69613%0.128SC*.SBendtrans-14318176-48.4-179.7127.100112.3S305S305-E335 WeakPolarHBondContact CB-OE2 3.31Å; S305-E335 PolarHBondContact OG-OE2 2.87Å
336G85.5Confident95.2Very high7 Ų720 Ų207%0.07213%0.126CC..SBendtrans167161.1-178.800000112.8G333 E390G333-G336 WeakPolarHBondContact CA-O 3.4Å; G336-E390 WeakPolarHBondContact CA-OE2 3.27Å; G336-E390 PolarHBondContact N-OE2 3.43Å
337P92.3Very high95.3Very high49 Ų4918.1 Ų18.132%0.31811%0.11SC..  trans-63.8139.4-17524.3-33.7000113.1E390 F392 P401 N403P337-E390 WeakPolarHBondContact CA-O 3.43Å; P337-F392 HydrophobicContact CB-CD1 4.4Å; P337-F392 HydrophobicContact CB-CE1 4.11Å; P337-P401 HydrophobicContact CB-CB 4.46Å; P337-P401 HydrophobicContact CG-CB 4.28Å; P337-N403 PolarHBondContact O-ND2 2.57Å; P337-N403 PolarHBondContact O-OD1 2.78Å
338C95.4Very high95.2Very high1 Ų118.2 Ų18.21%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-141.6126.5175.9178.10000110.7V307 E390 L391 F392V307-C338 PolarHBondContact O-SG 3.16Å; V307-C338 VanDerWaalsContact O-SG 3.37Å; C338-E390 PolarHBondContact N-O 2.83Å; C338-E390 VanDerWaalsContact N-O 3.11Å; C338-L391 HydrophobicContact CB-CD2 3.94Å; C338-L391 WeakPolarHBondContact O-CA 3.39Å; C338-F392 WeakPolarHBondContact O-CD1 3.46Å; C338-F392 PolarHBondContact O-N 3.43Å; C338-F392 VanDerWaalsContact O-N 3.08Å
339A97.1Very high95.2Very high0 Ų018.4 Ų18.40%011%0.112CC..EExtended strand (participates in β ladder)trans-79.8127.2-176.900000111.5G308 M309 V310 V371 F392G308-A339 PolarHBondContact O-N 2.88Å; M309-A339 CarbonylContact C-O 2.97Å; M309-A339 VanDerWaalsContact CA-O 3.3Å; M309-A339 WeakPolarHBondContact CA-O 3.49Å; V310-A339 PolarHBondContact N-O 3.31Å; A339-V371 HydrophobicContact CB-CB 4.39Å; A339-V371 HydrophobicContact CB-CG1 3.97Å; A339-V371 HydrophobicContact CB-CG2 4.08Å; A339-F392 CarbonylContact C-O 3.51Å; A339-F392 WeakPolarHBondContact CA-O 3.4Å; A339-F392 HydrophobicContact CB-CE1 4.03Å; A339-F392 HydrophobicContact CB-CE2 4.08Å; A339-F392 HydrophobicContact CB-CZ 3.66Å
340L98Very high95.1Very high0 Ų018 Ų180%011%0.108CC..EExtended strand (participates in β ladder)trans-104.9123.2177.8-17963.7000110.4F232 V310 A312 Y325 L328 F392 V393 P394F232-L340 HydrophobicContact CD1-CD2 4.32Å; F232-L340 HydrophobicContact CD2-CD2 3.84Å; F232-L340 HydrophobicContact CD2-CG 4.02Å; F232-L340 HydrophobicContact CE1-CD2 4.3Å; F232-L340 HydrophobicContact CE2-CD1 3.99Å; F232-L340 HydrophobicContact CE2-CD2 3.82Å; F232-L340 HydrophobicContact CE2-CG 3.74Å; F232-L340 HydrophobicContact CG-CD2 4.1Å; F232-L340 HydrophobicContact CZ-CD1 4.16Å; F232-L340 HydrophobicContact CZ-CD2 4.07Å; F232-L340 HydrophobicContact CZ-CG 4.26Å; V310-L340 HydrophobicContact CB-CD1 4.3Å; V310-L340 HydrophobicContact CG1-CD1 4.46Å; A312-L340 HydrophobicContact CB-CD1 3.81Å; Y325-L340 HydrophobicContact CD2-CD2 3.49Å; Y325-L340 VanDerWaalsContact CD2-CD2 3.49Å; Y325-L340 HydrophobicContact CE2-CD2 3.71Å; L328-L340 HydrophobicContact CD1-CD1 3.55Å; L340-F392 PolarHBondContact N-O 3.48Å; L340-V393 HydrophobicContact CB-CG2 4.32Å; L340-V393 HydrophobicContact CD2-CG2 4.36Å; L340-V393 WeakPolarHBondContact O-CA 3.5Å; L340-P394 WeakPolarHBondContact O-CD 3.49Å
341T97.8Very high95Very high0 Ų016.9 Ų16.90%09%0.093CC..EExtended strand (participates in β ladder)trans-152.5160.5-178.7177.20000112.8M309 V310 E311 A312 K361 V371 N374M309-T341 HydrophobicContact CE-CG2 3.83Å; V310-T341 PolarHBondContact O-N 3.03Å; V310-T341 VanDerWaalsContact O-N 3.09Å; E311-T341 CarbonylContact C-O 3.52Å; E311-T341 WeakPolarHBondContact CA-O 3.45Å; A312-T341 PolarHBondContact N-O 2.68Å; T341-K361 PolarHBondContact OG1-NZ 3.2Å; T341-V371 HydrophobicContact CG2-CG1 4.11Å; T341-N374 VanDerWaalsContact CA-OD1 3.23Å; T341-N374 WeakPolarHBondContact CA-OD1 3.37Å; T341-N374 WeakPolarHBondContact CB-OD1 3.4Å; T341-N374 PolarHBondContact OG1-OD1 3.42Å
342S98.2Very high94.9Very high0 Ų016.2 Ų16.20%09%0.089CC..  trans-135.1127.5172.5174.10000111.1G314 K344 T345 N374G314-S342 VanDerWaalsContact O-CB 3.25Å; G314-S342 WeakPolarHBondContact O-CB 3.36Å; G314-S342 PolarHBondContact O-OG 2.77Å; S342-K344 PolarHBondContact O-N 3.41Å; S342-K344 WeakPolarHBondContact OG-CB 3.18Å; S342-K344 PolarHBondContact OG-N 3.28Å; S342-T345 WeakPolarHBondContact O-CB 3.32Å; S342-T345 WeakPolarHBondContact O-CG2 3.48Å; S342-T345 PolarHBondContact O-N 2.89Å; S342-T345 VanDerWaalsContact O-N 3.17Å; S342-T345 PolarHBondContact O-OG1 3.07Å; S342-N374 PolarHBondContact N-OD1 3.24Å
343V97.8Very high95Very high3 Ų316.2 Ų16.22%0.0189%0.089CC..THydrogen-bonded Turntrans-64-15.6173.770.30000113L32 E311 T345 N346 F347 L357 K361L32-V343 HydrophobicContact CD2-CG2 4.42Å; E311-V343 VanDerWaalsContact OE1-CB 3.29Å; E311-V343 WeakPolarHBondContact OE1-CB 3.43Å; E311-V343 WeakPolarHBondContact OE1-CG1 3.17Å; E311-V343 PolarHBondContact OE1-N 2.9Å; V343-T345 PolarHBondContact O-N 3.39Å; V343-N346 PolarHBondContact O-N 3.27Å; V343-F347 HydrophobicContact CG2-CD2 3.77Å; V343-F347 HydrophobicContact CG2-CE2 4.19Å; V343-F347 PolarHBondContact O-N 3.48Å; V343-F347 VanDerWaalsContact O-N 3.16Å; V343-L357 HydrophobicContact CG1-CD2 4.12Å; V343-L357 HydrophobicContact CG1-CG 4.06Å; V343-L357 HydrophobicContact CG2-CD2 3.8Å; V343-L357 HydrophobicContact CG2-CG 3.87Å; V343-K361 HydrophobicContact CB-CD 3.74Å; V343-K361 HydrophobicContact CG2-CD 3.97Å
344K98Very high95.3Very high5 Ų516.1 Ų16.12%0.0229%0.088CC..Hα-helixtrans-65.5-19.1173.9-54.7-179.5-175.363.60112.2C229 H313 T315 S342 N346 G348 H349C229-K344 HydrophobicContact CB-CB 4.17Å; C229-K344 WeakPolarHBondContact CB-O 3.4Å; H313-K344 WeakPolarHBondContact O-CD 3.39Å; H313-K344 WeakPolarHBondContact O-CE 3.47Å; H313-K344 PolarHBondContact O-NZ 3.26Å; T315-K344 HydrophobicContact CG2-CD 4.33Å; S342-K344 PolarHBondContact O-N 3.41Å; S342-K344 WeakPolarHBondContact OG-CB 3.18Å; S342-K344 PolarHBondContact OG-N 3.28Å; K344-N346 PolarHBondContact O-N 3.16Å; K344-G348 VanDerWaalsContact CA-O 3.31Å; K344-G348 WeakPolarHBondContact CA-O 3.43Å; K344-G348 WeakPolarHBondContact CB-O 3.3Å; K344-G348 WeakPolarHBondContact O-CA 3.3Å; K344-G348 PolarHBondContact O-N 3.17Å; K344-H349 HydrophobicContact CD-CB 4.02Å; K344-H349 VanDerWaalsContact CE-ND1 3.33Å; K344-H349 WeakPolarHBondContact CE-ND1 3.42Å
345T98Very high95.7Very high1 Ų112.6 Ų12.61%0.0067%0.067CC..Hα-helixtrans-68.3-21.9171.666.80000113A231 S342 V343 L375 H376A231-T345 HydrophobicContact CB-CG2 3.64Å; S342-T345 WeakPolarHBondContact O-CB 3.32Å; S342-T345 WeakPolarHBondContact O-CG2 3.48Å; S342-T345 PolarHBondContact O-N 2.89Å; S342-T345 VanDerWaalsContact O-N 3.17Å; S342-T345 PolarHBondContact O-OG1 3.07Å; V343-T345 PolarHBondContact O-N 3.39Å; T345-L375 WeakPolarHBondContact CG2-O 3.1Å; T345-L375 PolarHBondContact OG1-N 2.8Å; T345-L375 VanDerWaalsContact OG1-N 3.14Å; T345-H376 PolarHBondContact O-CD2 3.26Å; T345-H376 PolarHBondContact O-NE2 2.67Å
346N98.1Very high96.2Very high1 Ų15.5 Ų5.51%0.0053%0.033CC..Hα-helixtrans-98-40.4175.4-59.698.1000113.1D36 L38 V343 K344 L375D36-N346 PolarHBondContact O-ND2 2.89Å; L38-N346 PolarHBondContact N-O 3.14Å; V343-N346 PolarHBondContact O-N 3.27Å; K344-N346 PolarHBondContact O-N 3.16Å; N346-L375 WeakPolarHBondContact ND2-CD1 3.45Å
347F97.2Very high96.9Very high1 Ų15.2 Ų5.20%0.0043%0.031CC..Hα-helixtrans-117.41.3-168.4-68.2-90000114.5L18 P19 I22 L28 L38 A69 V343 L350 L357L18-F347 HydrophobicContact CB-CD1 4.47Å; L18-F347 HydrophobicContact CB-CE1 3.86Å; L18-F347 HydrophobicContact CD1-CE1 4.28Å; L18-F347 HydrophobicContact CD1-CZ 4.24Å; P19-F347 HydrophobicContact CB-CD1 4.41Å; P19-F347 HydrophobicContact CG-CD1 4.31Å; I22-F347 HydrophobicContact CD1-CE1 4.1Å; I22-F347 HydrophobicContact CD1-CZ 3.94Å; L28-F347 HydrophobicContact CD1-CE2 3.52Å; L28-F347 HydrophobicContact CD1-CZ 3.49Å; L28-F347 VanDerWaalsContact CD1-CZ 3.49Å; L38-F347 HydrophobicContact CB-CD1 4.41Å; L38-F347 HydrophobicContact CD1-CD1 3.83Å; L38-F347 HydrophobicContact CD1-CE1 3.26Å; L38-F347 HydrophobicContact CD1-CE2 4.32Å; L38-F347 HydrophobicContact CD1-CZ 3.55Å; A69-F347 WeakPolarHBondContact CB-O 3.48Å; V343-F347 HydrophobicContact CG2-CD2 3.77Å; V343-F347 HydrophobicContact CG2-CE2 4.19Å; V343-F347 PolarHBondContact O-N 3.48Å; V343-F347 VanDerWaalsContact O-N 3.16Å; F347-L350 HydrophobicContact CB-CD1 3.64Å; F347-L350 WeakPolarHBondContact O-CD1 3.37Å; F347-L357 HydrophobicContact CB-CD2 4.39Å; F347-L357 HydrophobicContact CD2-CD2 4.02Å; F347-L357 HydrophobicContact CG-CD2 4.19Å
348G96.3Very high97.1Very high2 Ų23 Ų32%0.0212%0.016CC..  trans65.6-170.1-166.300000113V240 K344 L350V240-G348 CarbonylContact O-C 3.5Å; V240-G348 WeakPolarHBondContact O-CA 3.23Å; K344-G348 VanDerWaalsContact CA-O 3.31Å; K344-G348 WeakPolarHBondContact CA-O 3.43Å; K344-G348 WeakPolarHBondContact CB-O 3.3Å; K344-G348 WeakPolarHBondContact O-CA 3.3Å; K344-G348 PolarHBondContact O-N 3.17Å; G348-L350 PolarHBondContact O-N 3.07Å
349H96.4Very high97.3Very high3 Ų33 Ų31%0.0142%0.016CC..BIsolated β-bridgetrans-88.596.7-177-166.1-5.3000112.2C178 F239 V240 G242 H313 K344 Q351 S354C178-H349 WeakPolarHBondContact CB-NE2 3.27Å; C178-H349 PolarHBondContact SG-NE2 3.45Å; F239-H349 HydrophobicContact CB-CB 4.33Å; F239-H349 HydrophobicContact CD2-CB 3.57Å; F239-H349 HydrophobicContact CE2-CB 4.09Å; F239-H349 HydrophobicContact CG-CB 4.11Å; V240-H349 PolarHBondContact O-N 3.18Å; G242-H349 PolarHBondContact N-O 3.2Å; H313-H349 AromaticContact CE1-NE2 3.74Å; H313-H349 AromaticContact NE2-NE2 3.97Å; K344-H349 HydrophobicContact CD-CB 4.02Å; K344-H349 VanDerWaalsContact CE-ND1 3.33Å; K344-H349 WeakPolarHBondContact CE-ND1 3.42Å; H349-Q351 PolarHBondContact ND1-N 3.07Å; H349-Q351 PolarHBondContact O-N 3.39Å; H349-S354 PolarHBondContact CE1-OG 2.89Å; H349-S354 VanDerWaalsContact CE1-OG 3.24Å; H349-S354 PolarHBondContact ND1-OG 2.97Å
350L95.5Very high97.4Very high1 Ų13 Ų31%0.0052%0.016CC..  trans-72.733.2174.7-88.771.7000114.4L18 V206 G242 E243 F347 G348 S352 A353 S354 L357L18-L350 HydrophobicContact CD2-CD2 3.69Å; V206-L350 HydrophobicContact CG1-CB 4.19Å; V206-L350 HydrophobicContact CG1-CG 4.44Å; V206-L350 VanDerWaalsContact CG1-O 3.29Å; V206-L350 WeakPolarHBondContact CG1-O 3.44Å; G242-L350 WeakPolarHBondContact O-CA 3.4Å; E243-L350 VanDerWaalsContact O-CD2 3.27Å; E243-L350 WeakPolarHBondContact O-CD2 3.28Å; E243-L350 WeakPolarHBondContact O-CG 3.5Å; F347-L350 HydrophobicContact CB-CD1 3.64Å; F347-L350 WeakPolarHBondContact O-CD1 3.37Å; G348-L350 PolarHBondContact O-N 3.07Å; L350-S352 PolarHBondContact O-N 3.48Å; L350-S352 VanDerWaalsContact O-N 3.09Å; L350-A353 HydrophobicContact CB-CB 4.27Å; L350-A353 CarbonylContact O-C 3.45Å; L350-A353 WeakPolarHBondContact O-CA 3.25Å; L350-A353 PolarHBondContact O-N 2.78Å; L350-S354 WeakPolarHBondContact CA-OG 3.43Å; L350-S354 PolarHBondContact N-OG 3.29Å; L350-S354 PolarHBondContact O-N 2.97Å; L350-S354 PolarHBondContact O-OG 3.23Å; L350-L357 HydrophobicContact CD2-CD2 3.84Å
351Q94.4Very high97.4Very high36 Ų363 Ų317%0.1682%0.016CC..G310 helixtrans29.7-111180-56.6-170.210.900114.2T129 H130 V206 H349 A353 S354T129-Q351 PolarHBondContact OG1-OE1 3Å; H130-Q351 PolarHBondContact CD2-OE1 3.24Å; H130-Q351 PolarHBondContact NE2-OE1 3.22Å; V206-Q351 HydrophobicContact CG2-CB 4.24Å; V206-Q351 HydrophobicContact CG2-CG 4.44Å; H349-Q351 PolarHBondContact ND1-N 3.07Å; H349-Q351 PolarHBondContact O-N 3.39Å; Q351-A353 PolarHBondContact O-N 2.96Å; Q351-S354 PolarHBondContact N-OG 2.64Å; Q351-S354 VanDerWaalsContact O-CB 3.27Å; Q351-S354 WeakPolarHBondContact O-CB 3.45Å; Q351-S354 PolarHBondContact O-N 3.33Å; Q351-S354 PolarHBondContact O-OG 3.41Å
352S95Very high97.4Very high0 Ų03 Ų30%02%0.016CC..G310 helixtrans-53.2-43.3176140000114.6G127 G181 V205 L350 S354G127-S352 VanDerWaalsContact O-CB 3.29Å; G127-S352 WeakPolarHBondContact O-CB 3.49Å; G181-S352 VanDerWaalsContact CA-O 3.25Å; G181-S352 WeakPolarHBondContact CA-O 3.43Å; G181-S352 PolarHBondContact N-O 2.69Å; G181-S352 VanDerWaalsContact N-O 3.08Å; V205-S352 WeakPolarHBondContact O-CB 3.44Å; V205-S352 PolarHBondContact O-OG 3.23Å; L350-S352 PolarHBondContact O-N 3.48Å; L350-S352 VanDerWaalsContact O-N 3.09Å; S352-S354 VanDerWaalsContact C-N 3.33Å
353A97.1Very high97.4Very high0 Ų03 Ų30%02%0.016CC..G310 helixtrans-78-12.9-178.800000113.7G204 V206 G244 L350 Q351 G355 P356 L357G204-A353 WeakPolarHBondContact O-CB 3.38Å; V206-A353 HydrophobicContact CG1-CB 4.34Å; G244-A353 WeakPolarHBondContact O-CB 3.29Å; L350-A353 HydrophobicContact CB-CB 4.27Å; L350-A353 CarbonylContact O-C 3.45Å; L350-A353 WeakPolarHBondContact O-CA 3.25Å; L350-A353 PolarHBondContact O-N 2.78Å; Q351-A353 PolarHBondContact O-N 2.96Å; A353-G355 VanDerWaalsContact C-N 3.34Å; A353-G355 PolarHBondContact O-N 3.26Å; A353-P356 WeakPolarHBondContact O-CD 3.39Å; A353-L357 WeakPolarHBondContact O-CB 3.38Å; A353-L357 PolarHBondContact O-N 3.47Å
354S96.9Very high97.4Very high3 Ų32.8 Ų2.82%0.0212%0.015CC..Hα-helixtrans-55.8-43.2-177.4-50.40000113.8H349 L350 Q351 S352 L357 G358H349-S354 PolarHBondContact CE1-OG 2.89Å; H349-S354 VanDerWaalsContact CE1-OG 3.24Å; H349-S354 PolarHBondContact ND1-OG 2.97Å; L350-S354 WeakPolarHBondContact CA-OG 3.43Å; L350-S354 PolarHBondContact N-OG 3.29Å; L350-S354 PolarHBondContact O-N 2.97Å; L350-S354 PolarHBondContact O-OG 3.23Å; Q351-S354 PolarHBondContact N-OG 2.64Å; Q351-S354 VanDerWaalsContact O-CB 3.27Å; Q351-S354 WeakPolarHBondContact O-CB 3.45Å; Q351-S354 PolarHBondContact O-N 3.33Å; Q351-S354 PolarHBondContact O-OG 3.41Å; S352-S354 VanDerWaalsContact C-N 3.33Å; S354-L357 PolarHBondContact O-N 3.36Å; S354-G358 PolarHBondContact O-N 2.87Å
355G97.6Very high97.4Very high2 Ų22.6 Ų2.62%0.0211%0.014CC..Hα-helixtrans-67-52.5-179.200000112.4A353 L357 G358 L359A353-G355 VanDerWaalsContact C-N 3.34Å; A353-G355 PolarHBondContact O-N 3.26Å; G355-L357 VanDerWaalsContact C-N 3.31Å; G355-L357 PolarHBondContact O-N 2.88Å; G355-G358 PolarHBondContact O-N 2.8Å; G355-L359 PolarHBondContact O-N 3.11Å
356P98.4Very high97.3Very high0 Ų02.6 Ų2.60%01%0.014CC..Hα-helixtrans-55.2-37.2169.8-32.439.8000114.8V246 A353 L359 M360V246-P356 HydrophobicContact CB-CB 3.84Å; V246-P356 HydrophobicContact CG1-CB 3.91Å; A353-P356 WeakPolarHBondContact O-CD 3.39Å; P356-L359 WeakPolarHBondContact O-CB 3.27Å; P356-L359 PolarHBondContact O-N 2.9Å; P356-M360 PolarHBondContact O-N 3.36Å
357L98.6Very high97Very high2 Ų25.9 Ų5.91%0.013%0.026CC..Hα-helixtrans-67.6-44.1173.5-179.357.5000112.2L18 L28 V246 V343 F347 L350 A353 S354 G355 L359 M360 K361L18-L357 HydrophobicContact CD1-CD1 3.61Å; L18-L357 HydrophobicContact CD2-CD1 4.23Å; L18-L357 HydrophobicContact CD2-CD2 4.17Å; L28-L357 HydrophobicContact CD1-CD1 4.16Å; L28-L357 HydrophobicContact CD2-CD1 3.66Å; V246-L357 HydrophobicContact CG2-CB 4.05Å; V246-L357 HydrophobicContact CG2-CD1 4.29Å; V343-L357 HydrophobicContact CG1-CD2 4.12Å; V343-L357 HydrophobicContact CG1-CG 4.06Å; V343-L357 HydrophobicContact CG2-CD2 3.8Å; V343-L357 HydrophobicContact CG2-CG 3.87Å; F347-L357 HydrophobicContact CB-CD2 4.39Å; F347-L357 HydrophobicContact CD2-CD2 4.02Å; F347-L357 HydrophobicContact CG-CD2 4.19Å; L350-L357 HydrophobicContact CD2-CD2 3.84Å; A353-L357 WeakPolarHBondContact O-CB 3.38Å; A353-L357 PolarHBondContact O-N 3.47Å; S354-L357 PolarHBondContact O-N 3.36Å; G355-L357 VanDerWaalsContact C-N 3.31Å; G355-L357 PolarHBondContact O-N 2.88Å; L357-L359 VanDerWaalsContact C-N 3.3Å; L357-L359 PolarHBondContact O-N 2.98Å; L357-M360 PolarHBondContact O-N 3.5Å; L357-M360 VanDerWaalsContact O-N 3.13Å; L357-K361 PolarHBondContact O-N 2.89Å
358G98.2Very high96.8Very high2 Ų29.7 Ų9.72%0.0214%0.044CC..Hα-helixtrans-60-40.517400000112.4S354 G355 T362S354-G358 PolarHBondContact O-N 2.87Å; G355-G358 PolarHBondContact O-N 2.8Å; G358-T362 VanDerWaalsContact O-CB 3.25Å; G358-T362 WeakPolarHBondContact O-CB 3.4Å; G358-T362 PolarHBondContact O-N 3.11Å; G358-T362 PolarHBondContact O-OG1 2.87Å
359L98.4Very high96.6Very high0 Ų010.1 Ų10.10%05%0.048CC..Hα-helixtrans-56.4-50.2169-85.6163.9000111.7L182 V185 L248 G355 P356 L357 T362 I363 V412 L426L182-L359 HydrophobicContact CD1-CD1 3.51Å; L182-L359 HydrophobicContact CD1-CG 4.09Å; V185-L359 HydrophobicContact CB-CD1 4.18Å; V185-L359 HydrophobicContact CG1-CD1 3.93Å; V185-L359 HydrophobicContact CG2-CD1 3.85Å; L248-L359 HydrophobicContact CD1-CB 4.17Å; L248-L359 HydrophobicContact CD1-CD1 3.98Å; G355-L359 PolarHBondContact O-N 3.11Å; P356-L359 WeakPolarHBondContact O-CB 3.27Å; P356-L359 PolarHBondContact O-N 2.9Å; L357-L359 VanDerWaalsContact C-N 3.3Å; L357-L359 PolarHBondContact O-N 2.98Å; L359-T362 WeakPolarHBondContact O-CB 3.17Å; L359-T362 PolarHBondContact O-N 3.25Å; L359-I363 WeakPolarHBondContact O-CG1 3.42Å; L359-I363 PolarHBondContact O-N 3.05Å; L359-V412 HydrophobicContact CD2-CG2 4.14Å; L359-V412 HydrophobicContact CG-CB 4.48Å; L359-V412 HydrophobicContact CG-CG1 4.32Å; L359-V412 HydrophobicContact CG-CG2 4.3Å; L359-L426 HydrophobicContact CD2-CD1 3.5Å; L359-L426 VanDerWaalsContact CD2-CD1 3.5Å; L359-L426 HydrophobicContact CD2-CD2 3.7Å; L359-L426 HydrophobicContact CD2-CG 4.13Å
360M98.5Very high96.7Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-62.9-46.6179.8-175.3177.7-81.500112.4M14 A15 C16 P25 L28 V246 P356 L357 T362 I363 L364M14-M360 HydrophobicContact CB-CE 3.74Å; M14-M360 HydrophobicContact CG-CE 3.93Å; M14-M360 HydrophobicContact SD-CE 4.28Å; M14-M360 HydrophobicContact SD-CG 4.07Å; A15-M360 WeakPolarHBondContact O-CE 3.29Å; C16-M360 HydrophobicContact CB-CE 3.96Å; C16-M360 HydrophobicContact CB-SD 3.93Å; C16-M360 VanDerWaalsContact SG-SD 3.61Å; P25-M360 HydrophobicContact CB-CE 4.42Å; P25-M360 HydrophobicContact CB-CG 4.48Å; P25-M360 HydrophobicContact CB-SD 4.04Å; P25-M360 HydrophobicContact CG-CE 3.91Å; P25-M360 HydrophobicContact CG-SD 4.11Å; L28-M360 HydrophobicContact CD2-CB 4.33Å; L28-M360 HydrophobicContact CD2-CG 3.74Å; L28-M360 HydrophobicContact CD2-SD 3.49Å; L28-M360 WeakPolarHBondContact CD2-SD 3.2Å; V246-M360 HydrophobicContact CG1-CB 4.39Å; V246-M360 HydrophobicContact CG1-CE 3.74Å; V246-M360 HydrophobicContact CG1-SD 4.4Å; P356-M360 PolarHBondContact O-N 3.36Å; L357-M360 PolarHBondContact O-N 3.5Å; L357-M360 VanDerWaalsContact O-N 3.13Å; M360-T362 VanDerWaalsContact C-N 3.27Å; M360-T362 PolarHBondContact O-N 3.42Å; M360-I363 PolarHBondContact O-N 2.87Å; M360-L364 HydrophobicContact CG-CD1 4.11Å; M360-L364 VanDerWaalsContact O-CG 3.3Å; M360-L364 WeakPolarHBondContact O-CG 3.39Å; M360-L364 PolarHBondContact O-N 3.04Å
361K98.4Very high96.8Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-54.8-44.6172.4171.8179.7170.9-156.60111.2L32 E311 T341 V343 L357 L364 A365L32-K361 HydrophobicContact CD1-CB 4.17Å; L32-K361 HydrophobicContact CD1-CD 4.4Å; L32-K361 HydrophobicContact CD1-CG 3.93Å; L32-K361 HydrophobicContact CD2-CD 4.32Å; E311-K361 IonicContact OE1-NZ 3.47Å; E311-K361 PolarHBondContact OE1-NZ 3.15Å; E311-K361 WeakPolarHBondContact OE2-CD 3.18Å; E311-K361 WeakPolarHBondContact OE2-CE 3.35Å; E311-K361 IonicContact OE2-NZ 3.1Å; E311-K361 PolarHBondContact OE2-NZ 3.45Å; T341-K361 PolarHBondContact OG1-NZ 3.2Å; V343-K361 HydrophobicContact CB-CD 3.74Å; V343-K361 HydrophobicContact CG2-CD 3.97Å; L357-K361 PolarHBondContact O-N 2.89Å; K361-L364 PolarHBondContact O-N 3.23Å; K361-A365 WeakPolarHBondContact O-CB 3.42Å; K361-A365 PolarHBondContact O-N 3.16Å
362T98.5Very high96.9Very high0 Ų010 Ų100%05%0.05CC..Hα-helixtrans-64.8-41.7178.2-63.20000112.2E311 G358 L359 M360 A365 L366 A410 V412 L426E311-T362 WeakPolarHBondContact CB-OG1 3.4Å; G358-T362 VanDerWaalsContact O-CB 3.25Å; G358-T362 WeakPolarHBondContact O-CB 3.4Å; G358-T362 PolarHBondContact O-N 3.11Å; G358-T362 PolarHBondContact O-OG1 2.87Å; L359-T362 WeakPolarHBondContact O-CB 3.17Å; L359-T362 PolarHBondContact O-N 3.25Å; M360-T362 VanDerWaalsContact C-N 3.27Å; M360-T362 PolarHBondContact O-N 3.42Å; T362-A365 PolarHBondContact O-N 2.97Å; T362-L366 HydrophobicContact CG2-CD1 3.95Å; T362-L366 HydrophobicContact CG2-CG 4.39Å; T362-L366 VanDerWaalsContact O-CB 3.28Å; T362-L366 WeakPolarHBondContact O-CB 3.5Å; T362-L366 VanDerWaalsContact O-CG 3.22Å; T362-L366 WeakPolarHBondContact O-CG 3.38Å; T362-L366 PolarHBondContact O-N 3.33Å; T362-A410 HydrophobicContact CG2-CB 3.37Å; T362-V412 HydrophobicContact CG2-CG2 4.07Å; T362-V412 WeakPolarHBondContact OG1-CG2 3.39Å; T362-L426 HydrophobicContact CG2-CB 4.41Å; T362-L426 HydrophobicContact CG2-CD1 4.47Å; T362-L426 HydrophobicContact CG2-CD2 4.42Å
363I98.4Very high97Very high0 Ų013.1 Ų13.10%07%0.065CC..Hα-helixtrans-62-44.9175-67.8162.6000110.4V11 M14 L248 L264 A265 L359 M360 L366 R367 L426V11-I363 HydrophobicContact CB-CD1 4.34Å; V11-I363 HydrophobicContact CG1-CD1 4.09Å; V11-I363 HydrophobicContact CG2-CD1 4.05Å; M14-I363 HydrophobicContact CE-CG2 3.95Å; M14-I363 HydrophobicContact SD-CB 4.34Å; M14-I363 HydrophobicContact SD-CD1 4.24Å; M14-I363 HydrophobicContact SD-CG2 3.84Å; L248-I363 HydrophobicContact CD2-CD1 4.43Å; L264-I363 HydrophobicContact CB-CG2 4.03Å; A265-I363 HydrophobicContact CB-CB 4.39Å; A265-I363 HydrophobicContact CB-CG1 3.85Å; A265-I363 HydrophobicContact CB-CG2 4.07Å; L359-I363 WeakPolarHBondContact O-CG1 3.42Å; L359-I363 PolarHBondContact O-N 3.05Å; M360-I363 PolarHBondContact O-N 2.87Å; I363-L366 PolarHBondContact O-N 2.97Å; I363-R367 WeakPolarHBondContact O-CG 3.47Å; I363-R367 PolarHBondContact O-N 3.06Å; I363-L426 HydrophobicContact CD1-CD2 4.41Å; I363-L426 HydrophobicContact CG1-CD2 3.81Å
364L97.8Very high97Very high0 Ų013.1 Ų13.10%07%0.065CC..Hα-helixtrans-62.7-48.2177.3-65.9164000111M14 P25 L28 W29 M360 K361 L366 R367 H368M14-L364 HydrophobicContact CE-CD2 3.98Å; M14-L364 HydrophobicContact CE-CG 4.43Å; P25-L364 HydrophobicContact CB-CD1 4.47Å; P25-L364 HydrophobicContact CB-CD2 4.21Å; P25-L364 WeakPolarHBondContact O-CD1 3.41Å; L28-L364 HydrophobicContact CB-CD1 4.47Å; L28-L364 HydrophobicContact CD2-CD1 3.91Å; L28-L364 HydrophobicContact CG-CD1 4.11Å; W29-L364 HydrophobicContact CB-CD1 4.1Å; W29-L364 HydrophobicContact CB-CD2 4.26Å; W29-L364 HydrophobicContact CD2-CB 4.11Å; W29-L364 HydrophobicContact CE3-CB 3.51Å; W29-L364 HydrophobicContact CE3-CD1 4.44Å; W29-L364 HydrophobicContact CZ3-CB 4.03Å; M360-L364 HydrophobicContact CG-CD1 4.11Å; M360-L364 VanDerWaalsContact O-CG 3.3Å; M360-L364 WeakPolarHBondContact O-CG 3.39Å; M360-L364 PolarHBondContact O-N 3.04Å; K361-L364 PolarHBondContact O-N 3.23Å; L364-L366 VanDerWaalsContact C-N 3.31Å; L364-L366 PolarHBondContact O-N 2.98Å; L364-R367 PolarHBondContact O-N 2.85Å; L364-R367 VanDerWaalsContact O-N 3.1Å; L364-H368 PolarHBondContact O-CD2 3.07Å; L364-H368 PolarHBondContact O-N 2.8Å
365A97.5Very high97Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-57.4-41.9174.700000112.2W29 M309 K361 T362 G369 V370 W400W29-A365 HydrophobicContact CZ3-CB 4.45Å; M309-A365 HydrophobicContact CE-CB 4.49Å; M309-A365 HydrophobicContact SD-CB 3.95Å; K361-A365 WeakPolarHBondContact O-CB 3.42Å; K361-A365 PolarHBondContact O-N 3.16Å; T362-A365 PolarHBondContact O-N 2.97Å; A365-G369 WeakPolarHBondContact O-CA 3.19Å; A365-G369 PolarHBondContact O-N 3.37Å; A365-V370 VanDerWaalsContact CA-O 3.32Å; A365-V370 WeakPolarHBondContact CA-O 3.47Å; A365-V370 VanDerWaalsContact CB-O 3.24Å; A365-V370 WeakPolarHBondContact CB-O 3.48Å; A365-W400 HydrophobicContact CB-CZ3 3.88Å
366L95.7Very high97Very high2 Ų216.1 Ų16.11%0.018%0.078CC..Hα-helixtrans-66.9-30.8175.3-77.9170.6000113.9T362 I363 L364 W400 R408 A410 L426 Q428T362-L366 HydrophobicContact CG2-CD1 3.95Å; T362-L366 HydrophobicContact CG2-CG 4.39Å; T362-L366 VanDerWaalsContact O-CB 3.28Å; T362-L366 WeakPolarHBondContact O-CB 3.5Å; T362-L366 VanDerWaalsContact O-CG 3.22Å; T362-L366 WeakPolarHBondContact O-CG 3.38Å; T362-L366 PolarHBondContact O-N 3.33Å; I363-L366 PolarHBondContact O-N 2.97Å; L364-L366 VanDerWaalsContact C-N 3.31Å; L364-L366 PolarHBondContact O-N 2.98Å; L366-W400 HydrophobicContact CD2-CH2 3.41Å; L366-W400 VanDerWaalsContact CD2-CH2 3.41Å; L366-W400 HydrophobicContact CD2-CZ2 3.71Å; L366-W400 HydrophobicContact CD2-CZ3 4.13Å; L366-W400 HydrophobicContact CG-CH2 3.85Å; L366-W400 HydrophobicContact CG-CZ3 4.33Å; L366-R408 HydrophobicContact CD2-CB 3.74Å; L366-R408 VanDerWaalsContact CD2-O 3.24Å; L366-R408 WeakPolarHBondContact CD2-O 2.97Å; L366-R408 PolarHBondContact O-NE 3.29Å; L366-R408 PolarHBondContact O-NH2 3.27Å; L366-A410 HydrophobicContact CD1-CB 4.41Å; L366-A410 HydrophobicContact CD2-CB 4.44Å; L366-A410 HydrophobicContact CG-CB 4.45Å; L366-L426 HydrophobicContact CD1-CB 3.68Å; L366-Q428 HydrophobicContact CD2-CB 4.44Å
367R92.4Very high96.9Very high69 Ų6917.4 Ų17.426%0.268%0.084SC..Hα-helixtrans-73.7-52.4172.1-68.6-160.3-56.6170.24.9110.7I363 L364 R408 D868I363-R367 WeakPolarHBondContact O-CG 3.47Å; I363-R367 PolarHBondContact O-N 3.06Å; L364-R367 PolarHBondContact O-N 2.85Å; L364-R367 VanDerWaalsContact O-N 3.1Å; R367-R408 PolarHBondContact O-NH2 2.91Å; R367-D868 IonicContact CZ-OD2 3.95Å; R367-D868 IonicContact NH1-OD2 2.79Å; R367-D868 PolarHBondContact NH1-OD2 2.8Å; R367-D868 VanDerWaalsContact NH1-OD2 3.1Å; R367-D868 IonicContact NH2-OD2 3.69Å
368H92.5Very high96.6Very high82 Ų8222.1 Ų22.138%0.3812%0.116SC..Hα-helixtrans-81.7-23.1-170.6-66.1-74.3000114.6W29 L364W29-H368 AromaticContact CD1-CD2 3.75Å; W29-H368 AromaticContact CD1-NE2 3.65Å; W29-H368 AromaticContact CD2-CD2 3.75Å; W29-H368 AromaticContact CE2-CD2 3.37Å; W29-H368 AromaticContact CE2-CG 3.56Å; W29-H368 AromaticContact CG-CD2 3.99Å; W29-H368 HydrophobicContact CH2-CB 4.1Å; W29-H368 HydrophobicContact CZ2-CB 3.4Å; W29-H368 VanDerWaalsContact CZ2-CB 3.4Å; W29-H368 AromaticContact CZ2-CD2 3.84Å; W29-H368 AromaticContact CZ2-CG 3.71Å; W29-H368 AromaticContact NE1-CD2 3.34Å; W29-H368 PolarHBondContact NE1-CD2 3.2Å; W29-H368 VanDerWaalsContact NE1-CD2 3.34Å; W29-H368 AromaticContact NE1-CE1 3.81Å; W29-H368 AromaticContact NE1-CG 3.44Å; W29-H368 AromaticContact NE1-ND1 3.72Å; W29-H368 AromaticContact NE1-NE2 3.64Å; L364-H368 PolarHBondContact O-CD2 3.07Å; L364-H368 PolarHBondContact O-N 2.8Å
369G93.5Very high96.4Very high10 Ų1027.3 Ų27.310%0.10314%0.135CC..THydrogen-bonded Turntrans78.626.7-178.900000114.4A365 W400A365-G369 WeakPolarHBondContact O-CA 3.19Å; A365-G369 PolarHBondContact O-N 3.37Å; G369-W400 WeakPolarHBondContact O-CB 3Å; G369-W400 PolarHBondContact O-N 3.02Å
370V96.9Very high96.3Very high37 Ų3728.9 Ų28.922%0.22414%0.143CC..EExtended strand (participates in β ladder)trans-133.1136.4-179.6177.60000107.8W29 L33 A365 N397 T398W29-V370 HydrophobicContact CH2-CB 4.09Å; W29-V370 WeakPolarHBondContact CH2-O 3.2Å; W29-V370 HydrophobicContact CZ2-CB 4.18Å; L33-V370 HydrophobicContact CD2-CG1 4.14Å; A365-V370 VanDerWaalsContact CA-O 3.32Å; A365-V370 WeakPolarHBondContact CA-O 3.47Å; A365-V370 VanDerWaalsContact CB-O 3.24Å; A365-V370 WeakPolarHBondContact CB-O 3.48Å; V370-N397 HydrophobicContact CG1-CB 4.08Å; V370-T398 CarbonylContact C-O 3.54Å; V370-T398 WeakPolarHBondContact CA-O 3.22Å
371V97.8Very high96Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-95.7119.4167.7-173.30000107.3M309 A339 T341 P394 N397 T398 W400M309-V371 HydrophobicContact CB-CG2 4.41Å; M309-V371 HydrophobicContact CG-CG1 4.36Å; M309-V371 HydrophobicContact CG-CG2 4.43Å; M309-V371 HydrophobicContact SD-CG1 3.98Å; M309-V371 HydrophobicContact SD-CG2 4.04Å; A339-V371 HydrophobicContact CB-CB 4.39Å; A339-V371 HydrophobicContact CB-CG1 3.97Å; A339-V371 HydrophobicContact CB-CG2 4.08Å; T341-V371 HydrophobicContact CG2-CG1 4.11Å; V371-P394 HydrophobicContact CG1-CG 4.04Å; V371-N397 WeakPolarHBondContact O-CA 3.22Å; V371-T398 PolarHBondContact N-O 2.94Å; V371-T398 PolarHBondContact O-N 2.93Å; V371-W400 HydrophobicContact CG2-CE3 4.24Å; V371-W400 HydrophobicContact CG2-CZ3 4.42Å
372P97.5Very high95.6Very high0 Ų035.2 Ų35.20%018%0.179CC..PPolyproline II helixtrans-60.2159.6176.1-25.835.8000113.2W29 L32 N397W29-P372 HydrophobicContact CE3-CG 4.44Å; W29-P372 HydrophobicContact CH2-CG 4.04Å; W29-P372 HydrophobicContact CZ3-CG 3.58Å; L32-P372 HydrophobicContact CB-CB 4.08Å; L32-P372 HydrophobicContact CB-CG 4Å; P372-N397 WeakPolarHBondContact CA-OD1 3.49Å
373Q96.2Very high95.1Very high66 Ų6643.1 Ų43.131%0.30822%0.216SC..PPolyproline II helixtrans-59.5139.8172.4-179.9171.5-15.500112L375 P394 Q395 N397Q373-L375 HydrophobicContact CG-CD2 4.13Å; Q373-P394 WeakPolarHBondContact CA-O 3.45Å; Q373-Q395 PolarHBondContact NE2-O 3.44Å; Q373-Q395 PolarHBondContact OE1-O 2.76Å; Q373-N397 PolarHBondContact N-OD1 3.09Å
374N97.5Very high94.8Very high1 Ų143.7 Ų43.71%0.00522%0.218CC..PPolyproline II helixtrans-87.8118.4165.2-164.783.4000108.9T341 S342 V393 P394T341-N374 VanDerWaalsContact CA-OD1 3.23Å; T341-N374 WeakPolarHBondContact CA-OD1 3.37Å; T341-N374 WeakPolarHBondContact CB-OD1 3.4Å; T341-N374 PolarHBondContact OG1-OD1 3.42Å; S342-N374 PolarHBondContact N-OD1 3.24Å; N374-V393 HydrophobicContact CB-CG1 3.62Å; N374-P394 HydrophobicContact CB-CG 4.38Å; N374-P394 PolarHBondContact N-O 3.15Å
375L97.3Very high94.4Very high15 Ų1546.8 Ų46.88%0.07924%0.244CC..THydrogen-bonded Turntrans-76.6164.4-177.5-55.7-174.2000111.9G35 D37 T345 N346 Q373 F377G35-L375 WeakPolarHBondContact O-CD1 3.46Å; D37-L375 HydrophobicContact CB-CD1 3.94Å; T345-L375 WeakPolarHBondContact CG2-O 3.1Å; T345-L375 PolarHBondContact OG1-N 2.8Å; T345-L375 VanDerWaalsContact OG1-N 3.14Å; N346-L375 WeakPolarHBondContact ND2-CD1 3.45Å; Q373-L375 HydrophobicContact CG-CD2 4.13Å; L375-F377 PolarHBondContact O-N 2.75Å
376H96.5Very high94.2Very high52 Ų5255 Ų5524%0.24128%0.283CS..THydrogen-bonded Turntrans58.412.7173.5-42.5-66.6000117.2D37 H230 T345D37-H376 IonicContact OD2-CE1 4Å; D37-H376 PolarHBondContact OD2-CE1 3.38Å; D37-H376 IonicContact OD2-NE2 2.84Å; H230-H376 PolarHBondContact ND1-O 2.92Å; H230-H376 VanDerWaalsContact ND1-O 3.14Å; T345-H376 PolarHBondContact O-CD2 3.26Å; T345-H376 PolarHBondContact O-NE2 2.67Å
377F96.5Very high94.1Very high28 Ų2857.6 Ų57.612%0.12330%0.296CS..  trans-99.6125.3175.4178.2-93.1000112.2D233 L375 L380 V393 Q395D233-F377 HydrophobicContact CB-CD2 4.07Å; L375-F377 PolarHBondContact O-N 2.75Å; F377-L380 HydrophobicContact CE2-CD2 4.09Å; F377-L380 HydrophobicContact CE2-CG 4.23Å; F377-L380 HydrophobicContact CZ-CD2 4.38Å; F377-L380 HydrophobicContact CZ-CG 4.11Å; F377-V393 HydrophobicContact CB-CG1 3.98Å; F377-V393 HydrophobicContact CD1-CB 3.8Å; F377-V393 HydrophobicContact CD1-CG1 3.62Å; F377-V393 HydrophobicContact CD2-CB 4.28Å; F377-V393 HydrophobicContact CD2-CG1 4.02Å; F377-V393 HydrophobicContact CD2-CG2 4.31Å; F377-V393 HydrophobicContact CE1-CB 3.7Å; F377-V393 HydrophobicContact CE1-CG1 4.07Å; F377-V393 HydrophobicContact CE1-CG2 4.35Å; F377-V393 HydrophobicContact CE2-CB 4.19Å; F377-V393 HydrophobicContact CE2-CG1 4.43Å; F377-V393 HydrophobicContact CE2-CG2 4.01Å; F377-V393 HydrophobicContact CG-CB 4.1Å; F377-V393 HydrophobicContact CG-CG1 3.59Å; F377-V393 HydrophobicContact CZ-CB 3.9Å; F377-V393 HydrophobicContact CZ-CG1 4.45Å; F377-V393 HydrophobicContact CZ-CG2 4.03Å; F377-Q395 HydrophobicContact CD1-CG 3.94Å; F377-Q395 HydrophobicContact CE1-CG 4.43Å
378C93.8Very high94Very high100 Ų10062.5 Ų62.568%0.67633%0.327SS*.  trans-115.1-51.9176.8-69.20000111.4D233 Q395D233-C378 WeakPolarHBondContact OD1-CA 3.44Å; D233-C378 WeakPolarHBondContact OD1-CB 3.35Å; D233-C378 PolarHBondContact OD1-N 2.69Å; C378-Q395 PolarHBondContact O-NE2 2.87Å
379R93.9Very high94.1Very high112 Ų11260 Ų6042%0.42332%0.318SS..  trans-155.2147.6178.574-177.1-165.9119.1-5.1112.8D233 E234 D382D233-R379 WeakPolarHBondContact CA-O 3.45Å; D233-R379 PolarHBondContact OD1-N 3.49Å; D233-R379 VanDerWaalsContact OD1-O 3.07Å; E234-R379 HydrophobicContact CB-CG 4.31Å; E234-R379 PolarHBondContact N-O 2.86Å; E234-R379 IonicContact OE1-CZ 2.78Å; E234-R379 IonicContact OE1-NE 2.68Å; E234-R379 IonicContact OE1-NH2 3.2Å; E234-R379 PolarHBondContact OE1-NH2 3.12Å; E234-R379 IonicContact OE2-CZ 3.22Å; E234-R379 IonicContact OE2-NE 3.73Å; E234-R379 PolarHBondContact OE2-NE 2.72Å; E234-R379 IonicContact OE2-NH2 2.78Å; E234-R379 PolarHBondContact OE2-NH2 2.75Å; R379-D382 IonicContact CZ-OD1 2.72Å; R379-D382 IonicContact NH1-OD1 3.36Å; R379-D382 PolarHBondContact NH1-OD1 2.95Å; R379-D382 IonicContact NH2-OD1 2.73Å
380L94.4Very high94.2Very high32 Ų3264.1 Ų64.117%0.16833%0.334CS..  trans-61.2146.6166.5-69.2170000110.6F232 Y325 F377 L384 A385F232-L380 HydrophobicContact CB-CD2 4.33Å; Y325-L380 HydrophobicContact CD2-CD2 4.02Å; Y325-L380 HydrophobicContact CE2-CD1 4.2Å; Y325-L380 HydrophobicContact CE2-CD2 3.62Å; Y325-L380 WeakPolarHBondContact OH-CD1 3.3Å; F377-L380 HydrophobicContact CE2-CD2 4.09Å; F377-L380 HydrophobicContact CE2-CG 4.23Å; F377-L380 HydrophobicContact CZ-CD2 4.38Å; F377-L380 HydrophobicContact CZ-CG 4.11Å; L380-L384 HydrophobicContact CB-CB 4.4Å; L380-L384 HydrophobicContact CD2-CB 4.34Å; L380-A385 HydrophobicContact CB-CB 4.25Å
381P92.9Very high94.1Very high34 Ų3462.9 Ų62.922%0.22133%0.327CS..  trans-51.9140.8158.8-20.928.9000111.2F232 Q383 L384 A385F232-P381 WeakPolarHBondContact O-CD 3.44Å; P381-Q383 PolarHBondContact O-N 3.13Å; P381-L384 HydrophobicContact CG-CD1 4.13Å; P381-L384 PolarHBondContact O-N 3.16Å; P381-A385 PolarHBondContact O-N 2.67Å; P381-A385 VanDerWaalsContact O-N 3.12Å
382D90.6Very high94Very high99 Ų9966 Ų6653%0.52934%0.34SS..Hα-helixtrans-51.8-37.2-175.1-61.7-15.8000112.7R379 L384 A385 E386R379-D382 IonicContact CZ-OD1 2.72Å; R379-D382 IonicContact NH1-OD1 3.36Å; R379-D382 PolarHBondContact NH1-OD1 2.95Å; R379-D382 IonicContact NH2-OD1 2.73Å; D382-L384 VanDerWaalsContact C-N 3.3Å; D382-L384 PolarHBondContact O-N 2.9Å; D382-A385 PolarHBondContact O-N 3.23Å; D382-E386 PolarHBondContact O-N 3.44Å
383Q88.1Confident94Very high167 Ų16766.8 Ų66.878%0.7835%0.345SS*.Hα-helixtrans-65.5-25.1178.7-63174.510.700114.5P381P381-Q383 PolarHBondContact O-N 3.13Å
384L90.6Very high94Very high11 Ų1163.8 Ų63.86%0.05833%0.331CS..Hα-helixtrans-92.1-28.9175.7-59.2-177.3000111.3P322 Y325 L380 P381 D382 E386 I387P322-L384 HydrophobicContact CB-CD1 4.19Å; P322-L384 HydrophobicContact CB-CD2 4.11Å; P322-L384 HydrophobicContact CG-CD1 4.42Å; Y325-L384 HydrophobicContact CD1-CB 3.95Å; Y325-L384 HydrophobicContact CD1-CD1 4.28Å; Y325-L384 HydrophobicContact CD1-CD2 4.03Å; Y325-L384 HydrophobicContact CD1-CG 4.31Å; Y325-L384 HydrophobicContact CE1-CB 4.11Å; Y325-L384 HydrophobicContact CG-CD1 4.09Å; Y325-L384 HydrophobicContact CG-CD2 4.49Å; L380-L384 HydrophobicContact CB-CB 4.4Å; L380-L384 HydrophobicContact CD2-CB 4.34Å; P381-L384 HydrophobicContact CG-CD1 4.13Å; P381-L384 PolarHBondContact O-N 3.16Å; D382-L384 VanDerWaalsContact C-N 3.3Å; D382-L384 PolarHBondContact O-N 2.9Å; L384-E386 PolarHBondContact O-N 2.92Å; L384-I387 HydrophobicContact CD2-CD1 3.98Å; L384-I387 WeakPolarHBondContact O-CB 3.22Å; L384-I387 PolarHBondContact O-N 3.28Å
385A91Very high93.9Very high65 Ų6569 Ų6954%0.53736%0.355SS..Hα-helixtrans-69.5-17.8173.500000113.6L380 P381 D382 I387L380-A385 HydrophobicContact CB-CB 4.25Å; P381-A385 PolarHBondContact O-N 2.67Å; P381-A385 VanDerWaalsContact O-N 3.12Å; D382-A385 PolarHBondContact O-N 3.23Å; A385-I387 VanDerWaalsContact C-N 3.31Å
386E92.5Very high93.8Very high173 Ų17370.7 Ų70.781%0.80837%0.372SS*.THydrogen-bonded Turntrans-79.3-6.3171-73.6-173.8171.100113.9D382 L384D382-E386 PolarHBondContact O-N 3.44Å; L384-E386 PolarHBondContact O-N 2.92Å
387I92.8Very high93.8Very high56 Ų5671.5 Ų71.529%0.28738%0.378SS..SBendtrans-83.3120.4179.2-57.7175.5000109.7Y325 A326 A329 L384 A385 T389Y325-I387 HydrophobicContact CD1-CD1 4.06Å; Y325-I387 HydrophobicContact CE1-CD1 4.25Å; A326-I387 HydrophobicContact CB-CD1 4.05Å; A329-I387 HydrophobicContact CB-CG2 3.76Å; L384-I387 HydrophobicContact CD2-CD1 3.98Å; L384-I387 WeakPolarHBondContact O-CB 3.22Å; L384-I387 PolarHBondContact O-N 3.28Å; A385-I387 VanDerWaalsContact C-N 3.31Å; I387-T389 HydrophobicContact CG2-CG2 4.3Å; I387-T389 PolarHBondContact O-N 2.71Å; I387-T389 VanDerWaalsContact O-N 3.12Å
388D91.8Very high93.8Very high172 Ų17272.2 Ų72.292%0.9239%0.385SS*.  trans-7299.3177.5-166.222.2000110.4
389T94.9Very high93.8Very high30 Ų3072 Ų7218%0.18438%0.384CS..  trans-156.1151.4-178.2-1750000111.7Y325 A329 G333 I387 L391Y325-T389 HydrophobicContact CE1-CG2 4.37Å; A329-T389 HydrophobicContact CB-CG2 3.99Å; G333-T389 PolarHBondContact O-OG1 2.99Å; I387-T389 HydrophobicContact CG2-CG2 4.3Å; I387-T389 PolarHBondContact O-N 2.71Å; I387-T389 VanDerWaalsContact O-N 3.12Å; T389-L391 VanDerWaalsContact C-N 3.33Å; T389-L391 HydrophobicContact CG2-CB 4.01Å; T389-L391 PolarHBondContact OG1-N 2.99Å
390E94.1Very high93.8Very high97 Ų9768.1 Ų68.145%0.45337%0.37SS..  trans-93.817.7170-60.5-171.886.200112.9G333 G336 P337 C338G333-E390 PolarHBondContact O-N 3Å; G336-E390 WeakPolarHBondContact CA-OE2 3.27Å; G336-E390 PolarHBondContact N-OE2 3.43Å; P337-E390 WeakPolarHBondContact CA-O 3.43Å; C338-E390 PolarHBondContact N-O 2.83Å; C338-E390 VanDerWaalsContact N-O 3.11Å
391L95.7Very high93.4Very high11 Ų1167.4 Ų67.46%0.05837%0.367CS..EExtended strand (participates in β ladder)trans-66.5132.8162.4-74.4175.2000110.4L328 A329 C338 T389L328-L391 HydrophobicContact CB-CD1 3.87Å; A329-L391 HydrophobicContact CB-CD1 4Å; C338-L391 HydrophobicContact CB-CD2 3.94Å; C338-L391 WeakPolarHBondContact O-CA 3.39Å; T389-L391 VanDerWaalsContact C-N 3.33Å; T389-L391 HydrophobicContact CG2-CB 4.01Å; T389-L391 PolarHBondContact OG1-N 2.99Å
392F95.3Very high92.3Very high64 Ų6472 Ų7228%0.28139%0.389SS..EExtended strand (participates in β ladder)trans-139.3142.9177.372.8-84.5000112P337 C338 A339 L340 P394 T398 P401P337-F392 HydrophobicContact CB-CD1 4.4Å; P337-F392 HydrophobicContact CB-CE1 4.11Å; C338-F392 WeakPolarHBondContact O-CD1 3.46Å; C338-F392 PolarHBondContact O-N 3.43Å; C338-F392 VanDerWaalsContact O-N 3.08Å; A339-F392 CarbonylContact C-O 3.51Å; A339-F392 WeakPolarHBondContact CA-O 3.4Å; A339-F392 HydrophobicContact CB-CE1 4.03Å; A339-F392 HydrophobicContact CB-CE2 4.08Å; A339-F392 HydrophobicContact CB-CZ 3.66Å; L340-F392 PolarHBondContact N-O 3.48Å; F392-P394 HydrophobicContact CE2-CB 4.32Å; F392-T398 HydrophobicContact CE2-CG2 4.2Å; F392-T398 HydrophobicContact CZ-CG2 4.35Å; F392-P401 HydrophobicContact CE1-CG 4.09Å; F392-P401 HydrophobicContact CZ-CG 4.06Å
393V97.3Very high91Very high17 Ų1769.4 Ų69.410%0.10338%0.376CS..  trans-92.4120.8176.2-178.50000109.5L340 N374 F377 Q395L340-V393 HydrophobicContact CB-CG2 4.32Å; L340-V393 HydrophobicContact CD2-CG2 4.36Å; L340-V393 WeakPolarHBondContact O-CA 3.5Å; N374-V393 HydrophobicContact CB-CG1 3.62Å; F377-V393 HydrophobicContact CB-CG1 3.98Å; F377-V393 HydrophobicContact CD1-CB 3.8Å; F377-V393 HydrophobicContact CD1-CG1 3.62Å; F377-V393 HydrophobicContact CD2-CB 4.28Å; F377-V393 HydrophobicContact CD2-CG1 4.02Å; F377-V393 HydrophobicContact CD2-CG2 4.31Å; F377-V393 HydrophobicContact CE1-CB 3.7Å; F377-V393 HydrophobicContact CE1-CG1 4.07Å; F377-V393 HydrophobicContact CE1-CG2 4.35Å; F377-V393 HydrophobicContact CE2-CB 4.19Å; F377-V393 HydrophobicContact CE2-CG1 4.43Å; F377-V393 HydrophobicContact CE2-CG2 4.01Å; F377-V393 HydrophobicContact CG-CB 4.1Å; F377-V393 HydrophobicContact CG-CG1 3.59Å; F377-V393 HydrophobicContact CZ-CB 3.9Å; F377-V393 HydrophobicContact CZ-CG1 4.45Å; F377-V393 HydrophobicContact CZ-CG2 4.03Å; V393-Q395 PolarHBondContact O-N 2.66Å
394P96.4Very high89.9Confident3 Ų365.4 Ų65.42%0.01936%0.363CS..  trans-77.3109.7-173.429.4-32.7000111.8L340 V371 Q373 N374 F392 A396L340-P394 WeakPolarHBondContact O-CD 3.49Å; V371-P394 HydrophobicContact CG1-CG 4.04Å; Q373-P394 WeakPolarHBondContact CA-O 3.45Å; N374-P394 HydrophobicContact CB-CG 4.38Å; N374-P394 PolarHBondContact N-O 3.15Å; F392-P394 HydrophobicContact CE2-CB 4.32Å; P394-A396 PolarHBondContact O-N 2.74Å
395Q95Very high88.9Confident111 Ų11168 Ų6852%0.51939%0.392SS..SBendtrans-80.85.5176.1-65.9-176.75.900114Q373 F377 C378 V393Q373-Q395 PolarHBondContact NE2-O 3.44Å; Q373-Q395 PolarHBondContact OE1-O 2.76Å; F377-Q395 HydrophobicContact CD1-CG 3.94Å; F377-Q395 HydrophobicContact CE1-CG 4.43Å; C378-Q395 PolarHBondContact O-NE2 2.87Å; V393-Q395 PolarHBondContact O-N 2.66Å
396A95.8Very high88.4Confident51 Ų5169.4 Ų69.442%0.42139%0.387SS..SBendtrans-158.7165.9173.600000109.8P394 T398P394-A396 PolarHBondContact O-N 2.74Å; A396-T398 PolarHBondContact O-N 2.85Å; A396-T398 PolarHBondContact O-OG1 2.93Å
397N97.4Very high88.3Confident69 Ų6963.5 Ų63.537%0.36936%0.364SS..  trans-57.4111.3172.1-65.4-29.2000110.3L33 V370 V371 P372 Q373L33-N397 HydrophobicContact CD2-CB 4.39Å; L33-N397 PolarHBondContact O-ND2 2.99Å; V370-N397 HydrophobicContact CG1-CB 4.08Å; V371-N397 WeakPolarHBondContact O-CA 3.22Å; P372-N397 WeakPolarHBondContact CA-OD1 3.49Å; Q373-N397 PolarHBondContact N-OD1 3.09Å
398T95.5Very high88.3Confident43 Ų4364.3 Ų64.326%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-112.4136.4-167-61.50000110.2V370 V371 F392 A396V370-T398 CarbonylContact C-O 3.54Å; V370-T398 WeakPolarHBondContact CA-O 3.22Å; V371-T398 PolarHBondContact N-O 2.94Å; V371-T398 PolarHBondContact O-N 2.93Å; F392-T398 HydrophobicContact CE2-CG2 4.2Å; F392-T398 HydrophobicContact CZ-CG2 4.35Å; A396-T398 PolarHBondContact O-N 2.85Å; A396-T398 PolarHBondContact O-OG1 2.93Å
399S93.7Very high88.5Confident96 Ų9657 Ų5767%0.67132%0.323SS*.EExtended strand (participates in β ladder)trans-63.1146.6174.6-62.70000111.1
400W93.8Very high88.6Confident30 Ų3055.5 Ų55.511%0.11431%0.314CS..  trans-54.8130.9-177.3-162.4-82.2000113.3M309 A365 L366 G369 V371 D402 R408 R409 A410M309-W400 HydrophobicContact CB-CH2 3.95Å; M309-W400 HydrophobicContact CB-CZ2 4.18Å; M309-W400 HydrophobicContact SD-CH2 4.2Å; M309-W400 HydrophobicContact SD-CZ3 4.2Å; A365-W400 HydrophobicContact CB-CZ3 3.88Å; L366-W400 HydrophobicContact CD2-CH2 3.41Å; L366-W400 VanDerWaalsContact CD2-CH2 3.41Å; L366-W400 HydrophobicContact CD2-CZ2 3.71Å; L366-W400 HydrophobicContact CD2-CZ3 4.13Å; L366-W400 HydrophobicContact CG-CH2 3.85Å; L366-W400 HydrophobicContact CG-CZ3 4.33Å; G369-W400 WeakPolarHBondContact O-CB 3Å; G369-W400 PolarHBondContact O-N 3.02Å; V371-W400 HydrophobicContact CG2-CE3 4.24Å; V371-W400 HydrophobicContact CG2-CZ3 4.42Å; W400-D402 PolarHBondContact O-N 3Å; W400-D402 VanDerWaalsContact O-N 3.12Å; W400-R408 HydrophobicContact CD2-CB 4.15Å; W400-R408 HydrophobicContact CD2-CG 4.07Å; W400-R408 HydrophobicContact CG-CB 4.47Å; W400-R408 HydrophobicContact CG-CG 3.9Å; W400-R408 HydrophobicContact CZ2-CB 3.96Å; W400-R409 WeakPolarHBondContact CZ2-O 3.34Å; W400-A410 HydrophobicContact CH2-CB 3.97Å; W400-A410 HydrophobicContact CZ2-CB 4.34Å
401P86.6Confident88.8Confident17 Ų1750.9 Ų50.911%0.1129%0.293CS..  trans-63.8108.3173.1-24.536.6000112.2G308 P337 F392 N403G308-P401 WeakPolarHBondContact O-CG 3.22Å; P337-P401 HydrophobicContact CB-CB 4.46Å; P337-P401 HydrophobicContact CG-CB 4.28Å; F392-P401 HydrophobicContact CE1-CG 4.09Å; F392-P401 HydrophobicContact CZ-CG 4.06Å; P401-N403 PolarHBondContact O-N 2.95Å
402D69.2Low88.9Confident129 Ų12950.4 Ų50.469%0.6929%0.29SS*.  trans-91.990.3178.9-173.96.3000111.1W400 G405W400-D402 PolarHBondContact O-N 3Å; W400-D402 VanDerWaalsContact O-N 3.12Å; D402-G405 PolarHBondContact OD1-N 3.35Å
403N63.5Low89.1Confident45 Ų4547.5 Ų47.524%0.24128%0.278CS..SBendtrans-84.7-23.9-173.8-63.4-2.6000113.2S305 P337 P401S305-N403 PolarHBondContact O-ND2 3.46Å; P337-N403 PolarHBondContact O-ND2 2.57Å; P337-N403 PolarHBondContact O-OD1 2.78Å; P401-N403 PolarHBondContact O-N 2.95Å
404T64.2Low89.1Confident83 Ų8346.7 Ų46.751%0.50927%0.273SS..SBendtrans-154.9-2.8-165.350.60000116.6T306 Q406T306-T404 HydrophobicContact CG2-CG2 4.43Å; T404-Q406 PolarHBondContact O-N 2.89Å; T404-Q406 WeakPolarHBondContact OG1-CB 3.26Å; T404-Q406 WeakPolarHBondContact OG1-CG 3.41Å
405G70.4Confident89.2Confident65 Ų6547.2 Ų47.267%0.6728%0.275SS*.SBendtrans64.613.1-169.100000114.6D402D402-G405 PolarHBondContact OD1-N 3.35Å
406Q80.7Confident89.1Confident95 Ų9542.2 Ų42.244%0.44425%0.252SS..SBendtrans-68.9165166.1-72.6-77.6-44.800110.5T306 T404 R408T306-Q406 HydrophobicContact CG2-CG 4.2Å; T404-Q406 PolarHBondContact O-N 2.89Å; T404-Q406 WeakPolarHBondContact OG1-CB 3.26Å; T404-Q406 WeakPolarHBondContact OG1-CG 3.41Å; Q406-R408 PolarHBondContact O-N 2.73Å
407P89.5Confident88.8Confident49 Ų4944.1 Ų44.132%0.31825%0.254SS..PPolyproline II helixtrans-52.3138.9162.2-22.433.8000110.3R409 E427 Q428P407-R409 PolarHBondContact O-N 3.32Å; P407-E427 HydrophobicContact CB-CG 3.72Å; P407-Q428 HydrophobicContact CB-CG 3.82Å
408R93.7Very high88.5Confident73 Ų7343.1 Ų43.128%0.27525%0.252SS..PPolyproline II helixtrans-57.4132.1176.8-64.1179.8-68.1-151.412.7109.7L366 R367 W400 Q406 E427 Q428L366-R408 HydrophobicContact CD2-CB 3.74Å; L366-R408 VanDerWaalsContact CD2-O 3.24Å; L366-R408 WeakPolarHBondContact CD2-O 2.97Å; L366-R408 PolarHBondContact O-NE 3.29Å; L366-R408 PolarHBondContact O-NH2 3.27Å; R367-R408 PolarHBondContact O-NH2 2.91Å; W400-R408 HydrophobicContact CD2-CB 4.15Å; W400-R408 HydrophobicContact CD2-CG 4.07Å; W400-R408 HydrophobicContact CG-CB 4.47Å; W400-R408 HydrophobicContact CG-CG 3.9Å; W400-R408 HydrophobicContact CZ2-CB 3.96Å; Q406-R408 PolarHBondContact O-N 2.73Å; R408-E427 WeakPolarHBondContact O-CA 3.4Å; R408-Q428 HydrophobicContact CB-CB 4.38Å; R408-Q428 HydrophobicContact CB-CG 4.43Å; R408-Q428 VanDerWaalsContact CB-OE1 3.3Å; R408-Q428 VanDerWaalsContact CG-OE1 3.27Å; R408-Q428 PolarHBondContact O-N 2.99Å
409R95.4Very high88.4Confident18 Ų1841.2 Ų41.27%0.06824%0.241CC..EExtended strand (participates in β ladder)trans-131.7141.8179.8-68.3175-172130.215.3112T306 V307 G308 W400 P407 L426 E427T306-R409 PolarHBondContact OG1-NH1 2.87Å; V307-R409 WeakPolarHBondContact CA-O 3.48Å; V307-R409 HydrophobicContact CG2-CB 4.41Å; G308-R409 PolarHBondContact N-O 2.89Å; W400-R409 WeakPolarHBondContact CZ2-O 3.34Å; P407-R409 PolarHBondContact O-N 3.32Å; R409-L426 CarbonylContact C-O 3.54Å; R409-L426 WeakPolarHBondContact CA-O 3.23Å; R409-L426 WeakPolarHBondContact CB-O 3.34Å; R409-E427 HydrophobicContact CG-CB 4.09Å; R409-E427 HydrophobicContact CG-CG 3.96Å; R409-E427 IonicContact CZ-OE2 3.69Å; R409-E427 IonicContact NE-OE2 2.67Å; R409-E427 PolarHBondContact NE-OE2 2.67Å; R409-E427 IonicContact NH2-OE2 3.61Å; R409-E427 PolarHBondContact NH2-OE2 3.06Å
410A97.3Very high88.6Confident0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-136.9164.5178.600000111M309 T362 L366 W400 L426M309-A410 HydrophobicContact CB-CB 4.04Å; M309-A410 HydrophobicContact CG-CB 4.45Å; M309-A410 CarbonylContact O-C 3.59Å; M309-A410 WeakPolarHBondContact O-CA 3.46Å; M309-A410 WeakPolarHBondContact O-CB 3.34Å; T362-A410 HydrophobicContact CG2-CB 3.37Å; L366-A410 HydrophobicContact CD1-CB 4.41Å; L366-A410 HydrophobicContact CD2-CB 4.44Å; L366-A410 HydrophobicContact CG-CB 4.45Å; W400-A410 HydrophobicContact CH2-CB 3.97Å; W400-A410 HydrophobicContact CZ2-CB 4.34Å; A410-L426 PolarHBondContact N-O 2.63Å; A410-L426 PolarHBondContact O-N 3.5Å
411A98.5Very high88.8Confident0 Ų036.7 Ų36.70%021%0.213CC..EExtended strand (participates in β ladder)trans-123.3154.1171.900000112.1V307 M309 V310 E311 H423 A424 I425V307-A411 HydrophobicContact CG1-CB 4.23Å; M309-A411 PolarHBondContact O-N 2.99Å; V310-A411 HydrophobicContact CG2-CB 4.36Å; E311-A411 PolarHBondContact N-O 3.13Å; A411-H423 WeakPolarHBondContact CB-NE2 3.46Å; A411-A424 CarbonylContact C-O 3.42Å; A411-A424 WeakPolarHBondContact CA-O 3.31Å; A411-I425 HydrophobicContact CB-CD1 3.76Å
412V98.7Very high89.4Confident1 Ų135.9 Ų35.91%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-131.1124.3177.8-174.90000109.9L182 E311 L359 T362 H423 A424 L426L182-V412 HydrophobicContact CD2-CG1 4.5Å; E311-V412 HydrophobicContact CB-CB 4.5Å; E311-V412 HydrophobicContact CB-CG1 4.38Å; E311-V412 HydrophobicContact CB-CG2 4.13Å; E311-V412 HydrophobicContact CG-CG1 4.29Å; E311-V412 WeakPolarHBondContact O-CA 3.3Å; L359-V412 HydrophobicContact CD2-CG2 4.14Å; L359-V412 HydrophobicContact CG-CB 4.48Å; L359-V412 HydrophobicContact CG-CG1 4.32Å; L359-V412 HydrophobicContact CG-CG2 4.3Å; T362-V412 HydrophobicContact CG2-CG2 4.07Å; T362-V412 WeakPolarHBondContact OG1-CG2 3.39Å; V412-H423 WeakPolarHBondContact O-CA 3.39Å; V412-H423 PolarHBondContact O-ND1 2.89Å; V412-A424 HydrophobicContact CB-CB 4.48Å; V412-A424 PolarHBondContact N-O 2.94Å; V412-A424 PolarHBondContact O-N 2.87Å; V412-L426 HydrophobicContact CG2-CD1 3.82Å
413S98.6Very high90.8Very high3 Ų329.8 Ų29.82%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-102.1145.1177.4-680000112.3E311 Y415 H423E311-S413 PolarHBondContact O-N 2.92Å; S413-Y415 WeakPolarHBondContact CB-OH 3.35Å; S413-Y415 PolarHBondContact OG-OH 2.74Å; S413-H423 PolarHBondContact OG-CE1 3.44Å; S413-H423 VanDerWaalsContact OG-CE1 3.25Å; S413-H423 PolarHBondContact OG-ND1 2.93Å; S413-H423 VanDerWaalsContact OG-ND1 3.13Å
414S98Very high92.4Very high0 Ų027.6 Ų27.60%016%0.163CC..EExtended strand (participates in β ladder)trans-151.8139.9150.1-156.10000112.4C178 S179 H313 V422C178-S414 PolarHBondContact O-OG 3.49Å; S179-S414 WeakPolarHBondContact CB-O 3.36Å; H313-S414 PolarHBondContact ND1-OG 3.39Å; S414-V422 PolarHBondContact N-O 3.44Å; S414-V422 PolarHBondContact O-N 3.27Å
415Y96.7Very high94.1Very high14 Ų1423.7 Ų23.76%0.05514%0.139CC..EExtended strand (participates in β ladder)trans-115.3139.9179.8-39.6-46.3000109.3C178 Q289 Y293 H313 E324 S413 N421C178-Y415 CarbonylContact C-O 3.51Å; C178-Y415 VanDerWaalsContact CB-O 3.3Å; C178-Y415 WeakPolarHBondContact CB-O 3.19Å; Q289-Y415 HydrophobicContact CG-CE1 4.18Å; Q289-Y415 HydrophobicContact CG-CE2 4.46Å; Y293-Y415 PolarHBondContact OH-OH 3.25Å; H313-Y415 HydrophobicContact CB-CD2 3.44Å; H313-Y415 VanDerWaalsContact CB-CD2 3.44Å; H313-Y415 HydrophobicContact CB-CE2 3.32Å; H313-Y415 HydrophobicContact CB-CG 4.21Å; H313-Y415 AromaticContact CD2-CD2 3.76Å; H313-Y415 PolarHBondContact CE1-O 2.93Å; H313-Y415 AromaticContact CG-CD2 3.63Å; H313-Y415 PolarHBondContact ND1-N 2.61Å; E324-Y415 HydrophobicContact CB-CE2 4.36Å; E324-Y415 HydrophobicContact CG-CE2 4.14Å; E324-Y415 VanDerWaalsContact OE1-CE2 3.23Å; E324-Y415 WeakPolarHBondContact OE1-CE2 3.44Å; E324-Y415 VanDerWaalsContact OE1-CZ 3.28Å; E324-Y415 PolarHBondContact OE1-OH 2.86Å; S413-Y415 WeakPolarHBondContact CB-OH 3.35Å; S413-Y415 PolarHBondContact OG-OH 2.74Å; Y415-N421 WeakPolarHBondContact CB-OD1 3.48Å; Y415-N421 HydrophobicContact CD1-CB 3.78Å; Y415-N421 WeakPolarHBondContact CD1-OD1 3.17Å; Y415-N421 HydrophobicContact CE1-CB 4.41Å
416G93.6Very high95.4Very high5 Ų520.6 Ų20.65%0.05211%0.107CC..  trans-90.1140.7170.900000110.2T176 S179 S418 G419 T420T176-G416 VanDerWaalsContact O-CA 3.3Å; T176-G416 WeakPolarHBondContact O-CA 3.2Å; S179-G416 PolarHBondContact OG-N 3.33Å; G416-S418 PolarHBondContact O-N 3.32Å; G416-G419 WeakPolarHBondContact O-CA 3.41Å; G416-G419 PolarHBondContact O-N 2.73Å; G416-T420 PolarHBondContact N-O 2.94Å
417M90.1Very high96.1Very high91 Ų9116.7 Ų16.745%0.4489%0.089SC..THydrogen-bonded Turntrans-62.5-2.9176.268.3178.2-72.100115A177 M222 A282A177-M417 HydrophobicContact CB-CG 3.84Å; M222-M417 HydrophobicContact CE-CE 3.8Å; M222-M417 HydrophobicContact SD-CE 4.41Å; A282-M417 WeakPolarHBondContact CA-O 3.42Å
418S90.4Very high96.4Very high49 Ų4916.4 Ų16.434%0.3438%0.084SC..THydrogen-bonded Turntrans-90.1-2.116953.90000113.5Q274 G416Q274-S418 PolarHBondContact NE2-O 2.94Å; G416-S418 PolarHBondContact O-N 3.32Å
419G93.9Very high96.2Very high3 Ų314.2 Ų14.23%0.0318%0.081CC..SBendtrans95.89.1-179.200000115.4Q274 D275 G416Q274-G419 CarbonylContact C-O 3.52Å; Q274-G419 VanDerWaalsContact CA-O 3.26Å; Q274-G419 WeakPolarHBondContact CA-O 3.47Å; Q274-G419 VanDerWaalsContact CD-O 3.3Å; Q274-G419 PolarHBondContact NE2-O 2.84Å; D275-G419 PolarHBondContact N-O 2.88Å; D275-G419 WeakPolarHBondContact OD2-CA 3.49Å; G416-G419 WeakPolarHBondContact O-CA 3.41Å; G416-G419 PolarHBondContact O-N 2.73Å
420T97.6Very high95.6Very high30 Ų3016.3 Ų16.318%0.18410%0.097CC..EExtended strand (participates in β ladder)trans-90.1109-178.9-59.10000111.5T176 S179 G416T176-T420 HydrophobicContact CG2-CG2 4.03Å; S179-T420 WeakPolarHBondContact CB-O 3.45Å; S179-T420 PolarHBondContact OG-O 2.96Å; G416-T420 PolarHBondContact N-O 2.94Å
421N98.2Very high94.2Very high0 Ų022.6 Ų22.60%014%0.135CC..EExtended strand (participates in β ladder)trans-96.4139.5-178.1-53.6-52.9000111.3A272 N273 D275 V292 Y415A272-N421 CarbonylContact C-O 3.51Å; A272-N421 WeakPolarHBondContact CA-O 3.4Å; N273-N421 PolarHBondContact N-O 3.29Å; N273-N421 PolarHBondContact O-N 2.9Å; N273-N421 WeakPolarHBondContact OD1-CB 3.33Å; N273-N421 PolarHBondContact OD1-ND2 2.75Å; N273-N421 VanDerWaalsContact OD1-ND2 3.1Å; D275-N421 PolarHBondContact OD1-ND2 2.95Å; V292-N421 HydrophobicContact CG1-CB 4.09Å; Y415-N421 WeakPolarHBondContact CB-OD1 3.48Å; Y415-N421 HydrophobicContact CD1-CB 3.78Å; Y415-N421 WeakPolarHBondContact CD1-OD1 3.17Å; Y415-N421 HydrophobicContact CE1-CB 4.41Å
422V98.6Very high92.3Very high1 Ų127.5 Ų27.51%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-133139.2172.2-168.80000110L182 T183 H186 A271 A272 S414L182-V422 HydrophobicContact CB-CB 4.27Å; L182-V422 HydrophobicContact CB-CG1 4.28Å; L182-V422 HydrophobicContact CD2-CB 4Å; L182-V422 HydrophobicContact CD2-CG1 4.11Å; L182-V422 WeakPolarHBondContact CD2-O 3.48Å; L182-V422 HydrophobicContact CG-CB 4.03Å; L182-V422 HydrophobicContact CG-CG1 3.75Å; T183-V422 WeakPolarHBondContact OG1-CG2 3.36Å; H186-V422 HydrophobicContact CB-CG1 4.11Å; A271-V422 WeakPolarHBondContact O-CA 3.34Å; A271-V422 WeakPolarHBondContact O-CG1 3.34Å; A272-V422 HydrophobicContact CB-CG1 4.37Å; A272-V422 HydrophobicContact CB-CG2 3.96Å; S414-V422 PolarHBondContact N-O 3.44Å; S414-V422 PolarHBondContact O-N 3.27Å
423H98.7Very high89.8Confident0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-133.7138.3178.6-15563.9000111.5T270 A271 V292 Y293 A296 Y332 A411 V412 S413T270-H423 CarbonylContact C-O 3.49Å; T270-H423 VanDerWaalsContact CA-O 3.29Å; T270-H423 WeakPolarHBondContact CA-O 3.35Å; A271-H423 PolarHBondContact N-O 3.08Å; A271-H423 PolarHBondContact O-N 3.45Å; V292-H423 HydrophobicContact CB-CB 4.5Å; V292-H423 HydrophobicContact CG1-CB 4.04Å; V292-H423 HydrophobicContact CG2-CB 3.93Å; Y293-H423 HydrophobicContact CD1-CB 4.35Å; Y293-H423 AromaticContact CD1-CD2 3.78Å; Y293-H423 AromaticContact CD1-CE1 3.53Å; Y293-H423 AromaticContact CD1-CG 3.66Å; Y293-H423 AromaticContact CD1-ND1 3.51Å; Y293-H423 AromaticContact CD1-NE2 3.68Å; Y293-H423 AromaticContact CE1-CE1 3.81Å; Y293-H423 AromaticContact CE1-ND1 3.71Å; A296-H423 HydrophobicContact CB-CB 4.06Å; Y332-H423 AromaticContact CZ-NE2 3.8Å; Y332-H423 PolarHBondContact OH-NE2 3.19Å; A411-H423 WeakPolarHBondContact CB-NE2 3.46Å; V412-H423 WeakPolarHBondContact O-CA 3.39Å; V412-H423 PolarHBondContact O-ND1 2.89Å; S413-H423 PolarHBondContact OG-CE1 3.44Å; S413-H423 VanDerWaalsContact OG-CE1 3.25Å; S413-H423 PolarHBondContact OG-ND1 2.93Å; S413-H423 VanDerWaalsContact OG-ND1 3.13Å
424A98.4Very high87.4Confident0 Ų040.7 Ų40.70%024%0.24CC..EExtended strand (participates in β ladder)trans-126.2139179.400000111.6L182 T270 A411 V412 L426L182-A424 HydrophobicContact CD1-CB 4.3Å; T270-A424 HydrophobicContact CG2-CB 3.8Å; A411-A424 CarbonylContact C-O 3.42Å; A411-A424 WeakPolarHBondContact CA-O 3.31Å; V412-A424 HydrophobicContact CB-CB 4.48Å; V412-A424 PolarHBondContact N-O 2.94Å; V412-A424 PolarHBondContact O-N 2.87Å; A424-L426 HydrophobicContact CB-CD1 4.14Å
425I98.3Very high84.8Confident0 Ų043.9 Ų43.90%027%0.266CS..EExtended strand (participates in β ladder)trans-109125.2173.2-53.7-58.3000109.1R268 G269 A296 L297 A300 V302 A411R268-I425 PolarHBondContact N-O 3.41Å; G269-I425 PolarHBondContact O-N 3.04Å; A296-I425 HydrophobicContact CB-CD1 4.42Å; A296-I425 HydrophobicContact CB-CG1 3.98Å; L297-I425 HydrophobicContact CD2-CD1 3.74Å; L297-I425 HydrophobicContact CD2-CG1 4.17Å; L297-I425 HydrophobicContact CG-CD1 4.04Å; L297-I425 HydrophobicContact CG-CG1 4.45Å; A300-I425 HydrophobicContact CB-CB 3.93Å; A300-I425 HydrophobicContact CB-CG1 4.18Å; A300-I425 HydrophobicContact CB-CG2 4.04Å; V302-I425 HydrophobicContact CB-CG2 4.31Å; V302-I425 HydrophobicContact CG1-CG2 4.21Å; V302-I425 HydrophobicContact CG2-CG2 4.19Å; A411-I425 HydrophobicContact CB-CD1 3.76Å
426L98.1Very high82.2Confident0 Ų047.9 Ų47.90%030%0.301CS..EExtended strand (participates in β ladder)trans-116.4150.3-179.8-71.890.1000111.5I266 V267 L359 T362 I363 L366 R409 A410 V412 A424I266-L426 CarbonylContact O-C 3.6Å; I266-L426 VanDerWaalsContact O-CA 3.31Å; I266-L426 WeakPolarHBondContact O-CA 3.32Å; V267-L426 HydrophobicContact CG2-CD2 4.41Å; V267-L426 HydrophobicContact CG2-CG 4.36Å; L359-L426 HydrophobicContact CD2-CD1 3.5Å; L359-L426 VanDerWaalsContact CD2-CD1 3.5Å; L359-L426 HydrophobicContact CD2-CD2 3.7Å; L359-L426 HydrophobicContact CD2-CG 4.13Å; T362-L426 HydrophobicContact CG2-CB 4.41Å; T362-L426 HydrophobicContact CG2-CD1 4.47Å; T362-L426 HydrophobicContact CG2-CD2 4.42Å; I363-L426 HydrophobicContact CD1-CD2 4.41Å; I363-L426 HydrophobicContact CG1-CD2 3.81Å; L366-L426 HydrophobicContact CD1-CB 3.68Å; R409-L426 CarbonylContact C-O 3.54Å; R409-L426 WeakPolarHBondContact CA-O 3.23Å; R409-L426 WeakPolarHBondContact CB-O 3.34Å; A410-L426 PolarHBondContact N-O 2.63Å; A410-L426 PolarHBondContact O-N 3.5Å; V412-L426 HydrophobicContact CG2-CD1 3.82Å; A424-L426 HydrophobicContact CB-CD1 4.14Å
427E96.3Very high79.8Confident14 Ų1452 Ų527%0.06533%0.33CS..EExtended strand (participates in β ladder)trans-131.7146.6175.2-172.2169.958.100109I266 R268 P407 R408 R409I266-E427 HydrophobicContact CB-CB 4.41Å; I266-E427 PolarHBondContact N-O 2.91Å; I266-E427 PolarHBondContact O-N 2.95Å; R268-E427 WeakPolarHBondContact CD-OE1 3.3Å; R268-E427 HydrophobicContact CG-CB 3.69Å; R268-E427 IonicContact CZ-OE1 2.7Å; R268-E427 IonicContact NE-OE1 2.74Å; R268-E427 VanDerWaalsContact NH1-CD 3.26Å; R268-E427 IonicContact NH1-OE1 3.61Å; R268-E427 PolarHBondContact NH1-OE1 2.74Å; R268-E427 IonicContact NH1-OE2 3.17Å; R268-E427 PolarHBondContact NH1-OE2 2.82Å; R268-E427 VanDerWaalsContact NH1-OE2 3.13Å; P407-E427 HydrophobicContact CB-CG 3.72Å; R408-E427 WeakPolarHBondContact O-CA 3.4Å; R409-E427 HydrophobicContact CG-CB 4.09Å; R409-E427 HydrophobicContact CG-CG 3.96Å; R409-E427 IonicContact CZ-OE2 3.69Å; R409-E427 IonicContact NE-OE2 2.67Å; R409-E427 PolarHBondContact NE-OE2 2.67Å; R409-E427 IonicContact NH2-OE2 3.61Å; R409-E427 PolarHBondContact NH2-OE2 3.06Å
428Q94.6Very high77.5Confident43 Ų4349.2 Ų49.220%0.20132%0.324CS..EExtended strand (participates in β ladder)trans-56.5153.9174.966.7179.231.100111.9L366 P407 R408L366-Q428 HydrophobicContact CD2-CB 4.44Å; P407-Q428 HydrophobicContact CB-CG 3.82Å; R408-Q428 HydrophobicContact CB-CB 4.38Å; R408-Q428 HydrophobicContact CB-CG 4.43Å; R408-Q428 VanDerWaalsContact CB-OE1 3.3Å; R408-Q428 VanDerWaalsContact CG-OE1 3.27Å; R408-Q428 PolarHBondContact O-N 2.99Å
429A90.7Very high75.2Confident26 Ų2652.8 Ų52.822%0.21535%0.346CS..PPolyproline II helixtrans-56.6151.4173.600000112.2V263V263-A429 HydrophobicContact CB-CB 4.2Å; V263-A429 HydrophobicContact CG1-CB 3.91Å; V263-A429 VanDerWaalsContact O-CB 3.23Å; V263-A429 WeakPolarHBondContact O-CB 3.44Å
430P83.1Confident72.4Confident62 Ų6259.9 Ų59.940%0.40338%0.378SS..PPolyproline II helixtrans-58.2143.4171-19.632.5000110.5I266 S432I266-P430 HydrophobicContact CD1-CG 4.12Å; P430-S432 PolarHBondContact O-N 2.85Å
431V67.6Low69.6Low133 Ų13364.6 Ų64.681%0.80640%0.402SS*.  trans-7198.1168.6-178.40000107.6E433V431-E433 PolarHBondContact O-N 3.18Å
432S57.6Low66.6Low102 Ų10268.4 Ų68.471%0.71343%0.425SS*.  trans-55.5125.6166-50.90000108.3P430P430-S432 PolarHBondContact O-N 2.85Å
433E46.6Very low63.6Low177 Ų17773.7 Ų73.783%0.82746%0.46SS*.  trans-54.7139.7159.7-70.4-166.5150.100107.7V431 A435V431-E433 PolarHBondContact O-N 3.18Å; E433-A435 PolarHBondContact O-N 3.25Å
434P47.7Very low60.7Low105 Ų10582.3 Ų82.368%0.68250%0.5SS*.  trans-62.3102.8177.726-32.9000107.4A436P434-A436 PolarHBondContact O-N 3.1Å
435A44.7Very low58.1Low67 Ų6785.7 Ų85.755%0.55453%0.528SS*.  trans-43115.5-175.200000108.7E433 S437 R865E433-A435 PolarHBondContact O-N 3.25Å; A435-S437 PolarHBondContact O-N 3.07Å; A435-S437 VanDerWaalsContact O-N 3.12Å; A435-R865 PolarHBondContact O-NH2 3.31Å
436A41.3Very low55.6Low97 Ų9788.9 Ų88.980%0.80256%0.56SS**PPolyproline II helixtrans-53.1123-167.800000108P434 G438P434-A436 PolarHBondContact O-N 3.1Å; A436-G438 PolarHBondContact O-N 3.11Å
437S43Very low54.1Low93 Ų9391.2 Ų91.265%0.6559%0.585SS**PPolyproline II helixtrans-48.9116.5-174.346.80000109.1A435A435-S437 PolarHBondContact O-N 3.07Å; A435-S437 VanDerWaalsContact O-N 3.12Å
438G42.1Very low53.2Low32 Ų3292.4 Ų92.433%0.3359%0.591SS.*PPolyproline II helixtrans-47.7138.4174.500000108.7A436 E440A436-G438 PolarHBondContact O-N 3.11Å; G438-E440 PolarHBondContact O-N 2.67Å
439P41.2Very low52.8Low123 Ų12391.1 Ų91.180%0.79959%0.588SS**SBendtrans-46.4119.4-160.719.7-34000110L441P439-L441 PolarHBondContact O-N 2.89Å
440E35.3Very low52.8Low152 Ų15290 Ų9071%0.7158%0.579SS**  trans-50.499.9-166.4-71-176.4136.500110.4G438 T442G438-E440 PolarHBondContact O-N 2.67Å; E440-T442 PolarHBondContact O-N 3.08Å
441L40.4Very low53.3Low129 Ų12987.1 Ų87.168%0.67556%0.56SS**  trans-58.1112.1159.4-70175000104P439P439-L441 PolarHBondContact O-N 2.89Å
442T34.9Very low54.5Low80 Ų8080.9 Ų80.949%0.49152%0.522SS..  trans-53.7150.1-155.341.70000111.3E440 E444 A445E440-T442 PolarHBondContact O-N 3.08Å; T442-E444 PolarHBondContact O-N 3.03Å; T442-A445 VanDerWaalsContact O-CB 3.3Å; T442-A445 WeakPolarHBondContact O-CB 3.3Å; T442-A445 PolarHBondContact O-N 2.98Å
443P35.8Very low56.2Low113 Ų11376.3 Ų76.373%0.73449%0.49SS*.G310 helixtrans-54.6-12178.2-29.336.6000115.7A445 G446P443-A445 PolarHBondContact O-N 3.36Å; P443-G446 PolarHBondContact O-N 3.23Å
444E37.8Very low58.4Low181 Ų18168.3 Ų68.385%0.84645%0.453SS*.G310 helixtrans-60.1-18.9165.9-58.4-179.5149.800113.3T442 G446T442-E444 PolarHBondContact O-N 3.03Å; E444-G446 PolarHBondContact O-N 3.47Å
445A42.3Very low60.5Low71 Ų7163.3 Ų63.359%0.58742%0.421SS*.G310 helixtrans-77.220.8169.200000113.6T442 P443 G447T442-A445 VanDerWaalsContact O-CB 3.3Å; T442-A445 WeakPolarHBondContact O-CB 3.3Å; T442-A445 PolarHBondContact O-N 2.98Å; P443-A445 PolarHBondContact O-N 3.36Å; A445-G447 PolarHBondContact O-N 3.43Å
446G47.4Very low62.5Low66 Ų6661.1 Ų61.168%0.6840%0.401SS*.  trans-68.250163.900000112.7P443 E444P443-G446 PolarHBondContact O-N 3.23Å; E444-G446 PolarHBondContact O-N 3.47Å
447G64.9Low64.8Low49 Ų4957.3 Ų57.351%0.50537%0.368SS..PPolyproline II helixtrans-94.8165177.900000112.4A445 A449A445-G447 PolarHBondContact O-N 3.43Å; G447-A449 PolarHBondContact O-N 3.08Å
448L78.2Confident67Low39 Ų3953.6 Ų53.620%0.20434%0.343CS..PPolyproline II helixtrans-59.8118.2-178.8-166.274.5000111.7T505 F839L448-T505 HydrophobicContact CD2-CG2 4.16Å; L448-F839 HydrophobicContact CD2-CB 3.68Å; L448-F839 HydrophobicContact CD2-CD1 3.41Å; L448-F839 VanDerWaalsContact CD2-CD1 3.41Å; L448-F839 HydrophobicContact CD2-CD2 4.12Å; L448-F839 HydrophobicContact CD2-CE1 4.02Å; L448-F839 HydrophobicContact CD2-CG 3.46Å; L448-F839 VanDerWaalsContact CD2-CG 3.46Å
449A85.4Confident69.2Low17 Ų1758.1 Ų58.114%0.1436%0.356CS..EExtended strand (participates in β ladder)trans-97.7158.9-178.900000111.9G447 F451 T505 A506G447-A449 PolarHBondContact O-N 3.08Å; A449-F451 HydrophobicContact CB-CE2 3.65Å; A449-F451 HydrophobicContact CB-CZ 3.73Å; A449-T505 WeakPolarHBondContact O-CA 3.48Å; A449-A506 PolarHBondContact N-O 2.85Å; A449-A506 PolarHBondContact O-N 3.43Å; A449-A506 VanDerWaalsContact O-N 3.14Å
450L91.1Very high71.6Confident3 Ų354.1 Ų54.12%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-112.1124.8-177.4-62.1-174000109.9V503 T505 R842 V845 F857 Q860 Y861L450-V503 HydrophobicContact CB-CG1 3.68Å; L450-V503 HydrophobicContact CD2-CG1 4.07Å; L450-V503 HydrophobicContact CG-CG1 4.31Å; L450-T505 HydrophobicContact CD2-CG2 3.71Å; L450-R842 HydrophobicContact CD2-CB 4.24Å; L450-R842 HydrophobicContact CD2-CG 4.36Å; L450-V845 HydrophobicContact CD1-CG1 4.01Å; L450-F857 HydrophobicContact CB-CE1 4.4Å; L450-F857 HydrophobicContact CD1-CE1 4.25Å; L450-Q860 VanDerWaalsContact N-NE2 3.17Å; L450-Y861 VanDerWaalsContact O-CE2 3.32Å; L450-Y861 WeakPolarHBondContact O-CE2 3.29Å; L450-Y861 PolarHBondContact O-OH 2.93Å
451F93.3Very high74.4Confident0 Ų046.9 Ų46.90%029%0.292CS..EExtended strand (participates in β ladder)trans-118.8102.3178.6-54.7-93.1000108.9A449 M484 L491 V503 V504 A506 L512A449-F451 HydrophobicContact CB-CE2 3.65Å; A449-F451 HydrophobicContact CB-CZ 3.73Å; F451-M484 HydrophobicContact CE1-CG 3.85Å; F451-M484 HydrophobicContact CE2-SD 4.47Å; F451-M484 HydrophobicContact CZ-CE 4.44Å; F451-M484 HydrophobicContact CZ-CG 3.48Å; F451-M484 VanDerWaalsContact CZ-CG 3.48Å; F451-M484 HydrophobicContact CZ-SD 3.77Å; F451-L491 HydrophobicContact CB-CD1 4.26Å; F451-L491 HydrophobicContact CD1-CD1 4.38Å; F451-V503 WeakPolarHBondContact O-CA 3.46Å; F451-V504 HydrophobicContact CB-CG2 3.83Å; F451-V504 PolarHBondContact N-O 3.11Å; F451-V504 PolarHBondContact O-N 3Å; F451-A506 HydrophobicContact CD2-CB 4.39Å; F451-A506 HydrophobicContact CE2-CB 3.99Å; F451-L512 HydrophobicContact CB-CD1 4.08Å; F451-L512 HydrophobicContact CD1-CD1 4.4Å; F451-L512 HydrophobicContact CD1-CD2 4.15Å; F451-L512 HydrophobicContact CD2-CD1 3.67Å; F451-L512 HydrophobicContact CD2-CD2 4.48Å; F451-L512 HydrophobicContact CE1-CD2 4.13Å; F451-L512 HydrophobicContact CE2-CD1 4.23Å; F451-L512 HydrophobicContact CE2-CD2 4.47Å; F451-L512 HydrophobicContact CG-CD1 3.78Å; F451-L512 HydrophobicContact CG-CD2 4.34Å; F451-L512 HydrophobicContact CZ-CD2 4.31Å
452P93.5Very high76.9Confident3 Ų342.8 Ų42.82%0.01927%0.27CS..EExtended strand (participates in β ladder)trans-70.1138175.529-32.2000110.1S492 H497 T502 V503 F857P452-S492 WeakPolarHBondContact CD-OG 3.33Å; P452-S492 WeakPolarHBondContact CG-OG 3.5Å; P452-H497 WeakPolarHBondContact CG-NE2 3.37Å; P452-T502 WeakPolarHBondContact CA-O 3.24Å; P452-V503 HydrophobicContact CB-CG2 4.33Å; P452-F857 HydrophobicContact CB-CE2 4.22Å; P452-F857 HydrophobicContact CB-CZ 4.25Å; P452-F857 HydrophobicContact CG-CD2 4.5Å; P452-F857 HydrophobicContact CG-CE2 4.16Å; P452-F857 HydrophobicContact CG-CZ 4.33Å
453V93.1Very high79.6Confident6 Ų641.6 Ų41.64%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-132.5132.1175.2-169.50000107.2L461 T464 L468 R501 T502 L516V453-L461 HydrophobicContact CB-CD1 4.16Å; V453-L461 HydrophobicContact CG1-CD1 3.79Å; V453-T464 HydrophobicContact CG1-CG2 3.95Å; V453-L468 HydrophobicContact CG2-CD2 4.16Å; V453-R501 WeakPolarHBondContact O-CA 3.35Å; V453-T502 HydrophobicContact CB-CG2 4.41Å; V453-T502 PolarHBondContact N-O 3.34Å; V453-T502 PolarHBondContact O-N 2.72Å; V453-T502 VanDerWaalsContact O-O 3.1Å; V453-L516 HydrophobicContact CG2-CD2 3.71Å
454S92.7Very high82.4Confident8 Ų836.5 Ų36.56%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-143.5152.9-177.166.90000112R498 V500 P872S454-R498 PolarHBondContact OG-N 3.46Å; S454-V500 CarbonylContact C-O 3.55Å; S454-V500 VanDerWaalsContact CA-O 3.3Å; S454-V500 WeakPolarHBondContact CA-O 3.47Å; S454-P872 WeakPolarHBondContact O-CB 3.19Å
455A91.4Very high85.1Confident0 Ų027.9 Ų27.90%019%0.189CC..EExtended strand (participates in β ladder)trans-148.4-179.3171.300000109.5Q460 L461 R498 V500A455-Q460 HydrophobicContact CB-CB 3.76Å; A455-Q460 WeakPolarHBondContact CB-O 3.49Å; A455-L461 HydrophobicContact CB-CB 4.16Å; A455-L461 VanDerWaalsContact CB-N 3.35Å; A455-R498 VanDerWaalsContact C-CB 3.48Å; A455-R498 WeakPolarHBondContact O-CB 3.39Å; A455-V500 PolarHBondContact N-O 3.1Å; A455-V500 PolarHBondContact O-N 3.21Å; A455-V500 VanDerWaalsContact O-O 3.05Å
456T88.1Confident87.6Confident22 Ų2226.2 Ų26.214%0.13518%0.175CC..SBendtrans-86.1-18.2-178.950.30000113.9D78 F81 R498 T875D78-T456 WeakPolarHBondContact OD2-CB 3.47Å; D78-T456 WeakPolarHBondContact OD2-CG2 3.37Å; D78-T456 PolarHBondContact OD2-OG1 3.15Å; F81-T456 HydrophobicContact CB-CG2 4.01Å; F81-T456 HydrophobicContact CD2-CG2 3.44Å; F81-T456 VanDerWaalsContact CD2-CG2 3.44Å; F81-T456 HydrophobicContact CE2-CG2 4.12Å; F81-T456 HydrophobicContact CG-CG2 3.83Å; T456-R498 HydrophobicContact CG2-CB 4.39Å; T456-T875 WeakPolarHBondContact OG1-CB 3.25Å; T456-T875 PolarHBondContact OG1-N 2.79Å; T456-T875 PolarHBondContact OG1-OG1 2.69Å
457S89.7Confident89.8Confident16 Ų1627 Ų2711%0.11216%0.158CC..SBendtrans-138.2172.4169.9880000112.3E459 Q460 L461 T875S457-E459 WeakPolarHBondContact CB-OE2 3.3Å; S457-E459 PolarHBondContact OG-N 2.84Å; S457-E459 PolarHBondContact OG-OE2 2.7Å; S457-Q460 PolarHBondContact O-N 2.61Å; S457-Q460 PolarHBondContact OG-N 2.82Å; S457-L461 PolarHBondContact O-N 2.72Å; S457-T875 VanDerWaalsContact CB-OG1 3.26Å; S457-T875 WeakPolarHBondContact CB-OG1 3.39Å; S457-T875 PolarHBondContact N-OG1 2.73Å; S457-T875 PolarHBondContact OG-OG1 2.75Å
458A88.4Confident91.1Very high16 Ų1625 Ų2513%0.13214%0.135CC..Hα-helixtrans-64.6-45.2174.700000111.5Q460 L461 H462 V500A458-Q460 VanDerWaalsContact C-N 3.25Å; A458-Q460 PolarHBondContact O-N 3.12Å; A458-L461 WeakPolarHBondContact O-CA 3.29Å; A458-L461 WeakPolarHBondContact O-CB 3.25Å; A458-L461 PolarHBondContact O-N 3.33Å; A458-H462 PolarHBondContact O-CD2 3.42Å; A458-H462 PolarHBondContact O-N 2.87Å; A458-V500 HydrophobicContact CB-CG1 4.44Å
459E88.6Confident91.9Very high126 Ų12623.1 Ų23.159%0.58913%0.125SC*.Hα-helixtrans-53.4-44.9176.2-57.175.1-164.800110.9S457 H462 V463S457-E459 WeakPolarHBondContact CB-OE2 3.3Å; S457-E459 PolarHBondContact OG-N 2.84Å; S457-E459 PolarHBondContact OG-OE2 2.7Å; E459-H462 PolarHBondContact O-N 2.95Å; E459-V463 WeakPolarHBondContact O-CG2 3.36Å; E459-V463 PolarHBondContact O-N 2.88Å
460Q91.8Very high92.2Very high39 Ų3926 Ų2618%0.18214%0.139CC..Hα-helixtrans-78.3-21178.4-60.3-58.1-27.600113.5A455 S457 A458 T464 S873 W874 T875A455-Q460 HydrophobicContact CB-CB 3.76Å; A455-Q460 WeakPolarHBondContact CB-O 3.49Å; S457-Q460 PolarHBondContact O-N 2.61Å; S457-Q460 PolarHBondContact OG-N 2.82Å; A458-Q460 VanDerWaalsContact C-N 3.25Å; A458-Q460 PolarHBondContact O-N 3.12Å; Q460-T464 VanDerWaalsContact O-CB 3.24Å; Q460-T464 WeakPolarHBondContact O-CB 3.45Å; Q460-T464 PolarHBondContact O-N 2.76Å; Q460-T464 PolarHBondContact O-OG1 3.06Å; Q460-S873 PolarHBondContact OE1-OG 3.31Å; Q460-W874 WeakPolarHBondContact CG-O 3.26Å; Q460-W874 PolarHBondContact NE2-O 2.89Å; Q460-W874 PolarHBondContact OE1-O 2.61Å; Q460-T875 WeakPolarHBondContact CG-OG1 3.47Å
461L92.9Very high92.3Very high0 Ų027.3 Ų27.30%014%0.143CC..Hα-helixtrans-67.9-44.3170.2-17961.2000110.2V453 A455 S457 A458 V463 T464 A465 V500 T502 V519 Y526V453-L461 HydrophobicContact CB-CD1 4.16Å; V453-L461 HydrophobicContact CG1-CD1 3.79Å; A455-L461 HydrophobicContact CB-CB 4.16Å; A455-L461 VanDerWaalsContact CB-N 3.35Å; S457-L461 PolarHBondContact O-N 2.72Å; A458-L461 WeakPolarHBondContact O-CA 3.29Å; A458-L461 WeakPolarHBondContact O-CB 3.25Å; A458-L461 PolarHBondContact O-N 3.33Å; L461-V463 PolarHBondContact O-N 2.89Å; L461-T464 PolarHBondContact O-N 3.19Å; L461-A465 WeakPolarHBondContact O-CB 3.38Å; L461-A465 PolarHBondContact O-N 3.25Å; L461-V500 HydrophobicContact CB-CG1 4.39Å; L461-V500 HydrophobicContact CD2-CG1 4.06Å; L461-T502 HydrophobicContact CD1-CG2 4.35Å; L461-T502 HydrophobicContact CD2-CG2 4.02Å; L461-V519 HydrophobicContact CG-CG1 4.27Å; L461-Y526 HydrophobicContact CD2-CD1 4.05Å; L461-Y526 HydrophobicContact CD2-CD2 3.94Å; L461-Y526 HydrophobicContact CD2-CE2 4.37Å; L461-Y526 HydrophobicContact CD2-CG 3.77Å
462H93.2Very high92.2Very high43 Ų4327.4 Ų27.420%0.19914%0.144CC..Hα-helixtrans-59.2-46.4173.7-57.1-69.1000111.4A458 E459 T464 A465 A466 V519 D522 Y526A458-H462 PolarHBondContact O-CD2 3.42Å; A458-H462 PolarHBondContact O-N 2.87Å; E459-H462 PolarHBondContact O-N 2.95Å; H462-T464 PolarHBondContact O-N 3.2Å; H462-A465 PolarHBondContact O-N 3.29Å; H462-A466 PolarHBondContact O-N 2.89Å; H462-V519 PolarHBondContact ND1-O 3.24Å; H462-D522 PolarHBondContact CE1-O 3.37Å; H462-Y526 AromaticContact CE1-CD2 3.83Å; H462-Y526 AromaticContact CE1-CE2 3.7Å
463V92.4Very high92Very high56 Ų5630.7 Ų30.734%0.33916%0.161SC..Hα-helixtrans-61.4-42.8175.9172.40000112E459 L461 A466 R467E459-V463 WeakPolarHBondContact O-CG2 3.36Å; E459-V463 PolarHBondContact O-N 2.88Å; L461-V463 PolarHBondContact O-N 2.89Å; V463-A466 PolarHBondContact O-N 3Å; V463-R467 HydrophobicContact CG1-CG 4.44Å; V463-R467 WeakPolarHBondContact O-CB 3.48Å; V463-R467 VanDerWaalsContact O-CG 3.29Å; V463-R467 WeakPolarHBondContact O-CG 3.34Å; V463-R467 PolarHBondContact O-N 3.33Å
464T93.5Very high91.6Very high6 Ų636.7 Ų36.74%0.03719%0.189CC..Hα-helixtrans-66-42.1179.2-59.70000111.2V453 Q460 L461 H462 R467 L468 S873V453-T464 HydrophobicContact CG1-CG2 3.95Å; Q460-T464 VanDerWaalsContact O-CB 3.24Å; Q460-T464 WeakPolarHBondContact O-CB 3.45Å; Q460-T464 PolarHBondContact O-N 2.76Å; Q460-T464 PolarHBondContact O-OG1 3.06Å; L461-T464 PolarHBondContact O-N 3.19Å; H462-T464 PolarHBondContact O-N 3.2Å; T464-R467 PolarHBondContact O-N 3.23Å; T464-L468 VanDerWaalsContact O-CB 3.3Å; T464-L468 WeakPolarHBondContact O-CB 3.47Å; T464-L468 PolarHBondContact O-N 3.02Å; T464-S873 PolarHBondContact OG1-N 2.95Å
465A94.9Very high91.1Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-65.3-42.3177.200000112L461 H462 L468 A469 L516 V519 A520L461-A465 WeakPolarHBondContact O-CB 3.38Å; L461-A465 PolarHBondContact O-N 3.25Å; H462-A465 PolarHBondContact O-N 3.29Å; A465-L468 PolarHBondContact O-N 2.96Å; A465-A469 WeakPolarHBondContact O-CB 3.23Å; A465-A469 PolarHBondContact O-N 2.74Å; A465-L516 HydrophobicContact CB-CD2 4.44Å; A465-L516 WeakPolarHBondContact CB-O 3.09Å; A465-V519 HydrophobicContact CB-CB 4.06Å; A465-V519 HydrophobicContact CB-CG1 3.69Å; A465-A520 HydrophobicContact CB-CB 4.17Å
466A94.9Very high90.3Very high36 Ų3639.6 Ų39.630%0.29821%0.209SC..Hα-helixtrans-60.8-51.117300000112.5H462 V463 L468 A469 D470 A520H462-A466 PolarHBondContact O-N 2.89Å; V463-A466 PolarHBondContact O-N 3Å; A466-L468 PolarHBondContact O-N 3.28Å; A466-A469 PolarHBondContact O-N 3.36Å; A466-D470 PolarHBondContact O-N 3.1Å; A466-A520 HydrophobicContact CB-CB 3.88Å
467R93.2Very high89.4Confident83 Ų8343.4 Ų43.431%0.31323%0.229SC..Hα-helixtrans-54.6-41.9175.7-74170.8175-123.31.6111.5D23 V463 T464 W471 P870D23-R467 IonicContact OD2-CZ 3.66Å; D23-R467 IonicContact OD2-NH1 3.24Å; D23-R467 PolarHBondContact OD2-NH1 3Å; D23-R467 IonicContact OD2-NH2 2.75Å; D23-R467 PolarHBondContact OD2-NH2 3.03Å; V463-R467 HydrophobicContact CG1-CG 4.44Å; V463-R467 WeakPolarHBondContact O-CB 3.48Å; V463-R467 VanDerWaalsContact O-CG 3.29Å; V463-R467 WeakPolarHBondContact O-CG 3.34Å; V463-R467 PolarHBondContact O-N 3.33Å; T464-R467 PolarHBondContact O-N 3.23Å; R467-W471 PolarHBondContact O-N 2.87Å; R467-W471 VanDerWaalsContact O-N 3.16Å; R467-P870 HydrophobicContact CB-CB 4.16Å; R467-P870 HydrophobicContact CB-CG 4.43Å
468L94Very high87.8Confident5 Ų548.5 Ų48.53%0.02627%0.271CS..Hα-helixtrans-71.8-38.5179.8-173.160.9000112.5V453 T464 A465 A466 W471 V472 L487 L491 L516 A869V453-L468 HydrophobicContact CG2-CD2 4.16Å; T464-L468 VanDerWaalsContact O-CB 3.3Å; T464-L468 WeakPolarHBondContact O-CB 3.47Å; T464-L468 PolarHBondContact O-N 3.02Å; A465-L468 PolarHBondContact O-N 2.96Å; A466-L468 PolarHBondContact O-N 3.28Å; L468-W471 PolarHBondContact O-N 3.48Å; L468-V472 WeakPolarHBondContact O-CG2 3.43Å; L468-V472 PolarHBondContact O-N 2.98Å; L468-L487 HydrophobicContact CD1-CD1 4.33Å; L468-L491 HydrophobicContact CD2-CD1 3.94Å; L468-L491 HydrophobicContact CD2-CD2 4.19Å; L468-L516 HydrophobicContact CB-CD1 4.2Å; L468-L516 HydrophobicContact CD2-CD1 3.94Å; L468-L516 HydrophobicContact CD2-CD2 3.87Å; L468-L516 HydrophobicContact CG-CD1 3.75Å; L468-L516 HydrophobicContact CG-CD2 4.45Å; L468-A869 HydrophobicContact CD1-CB 4.25Å
469A94.8Very high86.3Confident0 Ų051.5 Ų51.50%030%0.304CS..Hα-helixtrans-62.4-46.2174.700000111.8A465 A466 W471 V472 D473 L516 R517A465-A469 WeakPolarHBondContact O-CB 3.23Å; A465-A469 PolarHBondContact O-N 2.74Å; A466-A469 PolarHBondContact O-N 3.36Å; A469-W471 VanDerWaalsContact C-N 3.27Å; A469-W471 PolarHBondContact O-N 2.98Å; A469-V472 WeakPolarHBondContact O-CB 3.23Å; A469-V472 PolarHBondContact O-N 3.03Å; A469-V472 VanDerWaalsContact O-N 3.1Å; A469-D473 PolarHBondContact O-N 3.27Å; A469-L516 HydrophobicContact CB-CB 3.86Å; A469-L516 HydrophobicContact CB-CD1 4.49Å; A469-R517 HydrophobicContact CB-CG 3.81Å
470D92Very high85.1Confident79 Ų7947.9 Ų47.942%0.42229%0.292SS..Hα-helixtrans-65-32.5177.7-71.1-15.8000112.1A466 Q474 R517A466-D470 PolarHBondContact O-N 3.1Å; D470-Q474 VanDerWaalsContact O-CG 3.23Å; D470-Q474 WeakPolarHBondContact O-CG 3.42Å; D470-Q474 PolarHBondContact O-N 2.97Å; D470-Q474 PolarHBondContact O-NE2 3.38Å; D470-R517 IonicContact OD1-NH2 2.66Å; D470-R517 PolarHBondContact OD1-NH2 2.84Å
471W91.1Very high83.8Confident29 Ų2957.9 Ų57.911%0.1133%0.328CS..Hα-helixtrans-69.8-38.6171.3-175.797.7000112.5R467 L468 A469 Q474 N475 V482 L487 V867 D868 A869 P870R467-W471 PolarHBondContact O-N 2.87Å; R467-W471 VanDerWaalsContact O-N 3.16Å; L468-W471 PolarHBondContact O-N 3.48Å; A469-W471 VanDerWaalsContact C-N 3.27Å; A469-W471 PolarHBondContact O-N 2.98Å; W471-Q474 PolarHBondContact O-N 2.98Å; W471-N475 HydrophobicContact CD2-CB 4.2Å; W471-N475 HydrophobicContact CE3-CB 4.2Å; W471-N475 HydrophobicContact CH2-CB 4.22Å; W471-N475 HydrophobicContact CZ2-CB 4.21Å; W471-N475 HydrophobicContact CZ3-CB 4.19Å; W471-N475 PolarHBondContact NE1-ND2 3.19Å; W471-N475 VanDerWaalsContact O-CB 3.31Å; W471-N475 WeakPolarHBondContact O-CB 3.13Å; W471-N475 PolarHBondContact O-N 3.49Å; W471-N475 PolarHBondContact O-ND2 3.01Å; W471-V482 HydrophobicContact CH2-CB 4.5Å; W471-V482 HydrophobicContact CH2-CG1 3.78Å; W471-V482 HydrophobicContact CH2-CG2 3.98Å; W471-V482 HydrophobicContact CZ2-CG2 4.32Å; W471-V482 HydrophobicContact CZ3-CG1 4.21Å; W471-L487 HydrophobicContact CE3-CD1 4.46Å; W471-L487 HydrophobicContact CH2-CD1 4.19Å; W471-L487 HydrophobicContact CZ3-CD1 3.73Å; W471-L487 HydrophobicContact CZ3-CD2 4.12Å; W471-L487 HydrophobicContact CZ3-CG 4.44Å; W471-V867 HydrophobicContact CH2-CB 4.19Å; W471-V867 HydrophobicContact CH2-CG2 3.89Å; W471-V867 HydrophobicContact CZ2-CB 4.36Å; W471-V867 HydrophobicContact CZ2-CG2 4.37Å; W471-D868 PolarHBondContact NE1-O 2.92Å; W471-A869 HydrophobicContact CD2-CB 4.26Å; W471-A869 HydrophobicContact CE3-CB 4.35Å; W471-A869 HydrophobicContact CH2-CB 4.11Å; W471-A869 HydrophobicContact CZ2-CB 4Å; W471-A869 HydrophobicContact CZ3-CB 4.29Å; W471-P870 HydrophobicContact CB-CG 3.74Å; W471-P870 HydrophobicContact CG-CG 4.02Å
472V91.4Very high83.1Confident3 Ų359.1 Ų59.12%0.01834%0.336CS..Hα-helixtrans-63.7-43.4174.5166.20000110.8L468 A469 Q474 N475 G476 L487 F509 L512 L516L468-V472 WeakPolarHBondContact O-CG2 3.43Å; L468-V472 PolarHBondContact O-N 2.98Å; A469-V472 WeakPolarHBondContact O-CB 3.23Å; A469-V472 PolarHBondContact O-N 3.03Å; A469-V472 VanDerWaalsContact O-N 3.1Å; V472-Q474 VanDerWaalsContact C-N 3.26Å; V472-Q474 PolarHBondContact O-N 3.48Å; V472-N475 PolarHBondContact O-N 3.48Å; V472-G476 WeakPolarHBondContact O-CA 3.34Å; V472-G476 PolarHBondContact O-N 3.27Å; V472-L487 HydrophobicContact CG2-CD2 3.91Å; V472-F509 HydrophobicContact CG1-CB 4.23Å; V472-F509 HydrophobicContact CG1-CD1 3.85Å; V472-F509 HydrophobicContact CG1-CG 4.44Å; V472-L512 HydrophobicContact CG2-CD2 4.24Å; V472-L516 HydrophobicContact CG2-CD1 4.3Å
473D90.2Very high82.7Confident72 Ų7259.3 Ų59.339%0.38534%0.342SS..Hα-helixtrans-61.2-34.9175.8-81.519.8000112.7A469 N477 S513 R517A469-D473 PolarHBondContact O-N 3.27Å; D473-N477 PolarHBondContact O-ND2 3.34Å; D473-S513 WeakPolarHBondContact OD1-CB 3.36Å; D473-S513 PolarHBondContact OD1-OG 2.93Å; D473-R517 VanDerWaalsContact CG-NH1 3.3Å; D473-R517 IonicContact OD1-CZ 2.82Å; D473-R517 IonicContact OD1-NH1 2.71Å; D473-R517 PolarHBondContact OD1-NH1 3.45Å; D473-R517 IonicContact OD1-NH2 2.72Å; D473-R517 IonicContact OD2-CZ 3.35Å; D473-R517 IonicContact OD2-NH1 2.67Å; D473-R517 PolarHBondContact OD2-NH1 2.78Å; D473-R517 IonicContact OD2-NH2 3.48Å; D473-R517 PolarHBondContact OD2-NH2 3.25Å
474Q83.9Confident82.3Confident131 Ų13158.4 Ų58.461%0.61234%0.335SS*.Hα-helixtrans-75.4-42.9176.5-70.2167.45500111.8D470 W471 V472 N477D470-Q474 VanDerWaalsContact O-CG 3.23Å; D470-Q474 WeakPolarHBondContact O-CG 3.42Å; D470-Q474 PolarHBondContact O-N 2.97Å; D470-Q474 PolarHBondContact O-NE2 3.38Å; W471-Q474 PolarHBondContact O-N 2.98Å; V472-Q474 VanDerWaalsContact C-N 3.26Å; V472-Q474 PolarHBondContact O-N 3.48Å; Q474-N477 PolarHBondContact O-ND2 3.33Å
475N83.4Confident82Confident48 Ų4862.6 Ų62.626%0.25735%0.35SS..Hα-helixtrans-104.6-6.6-167.7-66.5-87.7000115.3W471 V472 S480 V482W471-N475 HydrophobicContact CD2-CB 4.2Å; W471-N475 HydrophobicContact CE3-CB 4.2Å; W471-N475 HydrophobicContact CH2-CB 4.22Å; W471-N475 HydrophobicContact CZ2-CB 4.21Å; W471-N475 HydrophobicContact CZ3-CB 4.19Å; W471-N475 PolarHBondContact NE1-ND2 3.19Å; W471-N475 VanDerWaalsContact O-CB 3.31Å; W471-N475 WeakPolarHBondContact O-CB 3.13Å; W471-N475 PolarHBondContact O-N 3.49Å; W471-N475 PolarHBondContact O-ND2 3.01Å; V472-N475 PolarHBondContact O-N 3.48Å; N475-S480 WeakPolarHBondContact O-CB 3.37Å; N475-S480 PolarHBondContact O-OG 3.16Å; N475-V482 HydrophobicContact CB-CG2 4.3Å
476G73.9Confident81.7Confident21 Ų2163.5 Ų63.522%0.21636%0.355CS..  trans-86.5-10.9-179.800000114.8V472 F509V472-G476 WeakPolarHBondContact O-CA 3.34Å; V472-G476 PolarHBondContact O-N 3.27Å; G476-F509 WeakPolarHBondContact O-CD2 3.32Å
477N68.6Low81.5Confident103 Ų10361.8 Ų61.855%0.55134%0.341SS*.SBendtrans-61.4149.2-176.9-68-71.9000113.1D473 Q474 G479 S480D473-N477 PolarHBondContact O-ND2 3.34Å; Q474-N477 PolarHBondContact O-ND2 3.33Å; N477-G479 PolarHBondContact O-N 3.48Å; N477-S480 WeakPolarHBondContact O-CB 3.37Å; N477-S480 PolarHBondContact O-N 2.86Å
478A57.9Low81.4Confident122 Ų12257.9 Ų57.9100%1.00833%0.326SS*.THydrogen-bonded Turntrans-62.93.1-171.600000117.3
479G55.3Low81.2Confident79 Ų7959.2 Ų59.281%0.81433%0.331SS*.THydrogen-bonded Turntrans-107.63169.700000114.5N477N477-G479 PolarHBondContact O-N 3.48Å
480S63.2Low81Confident50 Ų5059.3 Ų59.335%0.3533%0.331SS..  trans-73.5163.2-175.6-172.50000113.6N475 N477 V482N475-S480 WeakPolarHBondContact O-CB 3.37Å; N475-S480 PolarHBondContact O-OG 3.16Å; N477-S480 WeakPolarHBondContact O-CB 3.37Å; N477-S480 PolarHBondContact O-N 2.86Å; S480-V482 PolarHBondContact OG-N 2.9Å; S480-V482 VanDerWaalsContact OG-N 3.13Å
481R65.7Low80.9Confident249 Ų24956 Ų5694%0.9431%0.313SS*.SBendtrans-97.6-6.9170-64.2-177.2179.1-179.50.2113.3
482V77.4Confident80.8Confident27 Ų2755 Ų5516%0.16431%0.311CS..  trans-84127.5179.9174.20000109.5W471 N475 S480 F509 V867W471-V482 HydrophobicContact CH2-CB 4.5Å; W471-V482 HydrophobicContact CH2-CG1 3.78Å; W471-V482 HydrophobicContact CH2-CG2 3.98Å; W471-V482 HydrophobicContact CZ2-CG2 4.32Å; W471-V482 HydrophobicContact CZ3-CG1 4.21Å; N475-V482 HydrophobicContact CB-CG2 4.3Å; S480-V482 PolarHBondContact OG-N 2.9Å; S480-V482 VanDerWaalsContact OG-N 3.13Å; V482-F509 HydrophobicContact CG1-CZ 4.32Å; V482-V867 HydrophobicContact CG1-CG1 4.38Å; V482-V867 HydrophobicContact CG2-CG1 4.35Å
483S84.3Confident80.5Confident47 Ų4756.9 Ų56.933%0.32932%0.324SS..  trans-95.8153.1164.784.90000111.2R485 D486 L487S483-R485 PolarHBondContact O-N 2.98Å; S483-R485 PolarHBondContact OG-N 3.46Å; S483-D486 VanDerWaalsContact CB-OD2 3.3Å; S483-D486 WeakPolarHBondContact CB-OD2 3.32Å; S483-D486 PolarHBondContact N-OD2 2.73Å; S483-D486 PolarHBondContact O-N 2.84Å; S483-D486 PolarHBondContact OG-N 2.99Å; S483-D486 VanDerWaalsContact OG-N 3.16Å; S483-D486 PolarHBondContact OG-OD2 2.67Å; S483-L487 PolarHBondContact O-N 3.1Å
484M85.8Confident80.2Confident37 Ų3755.7 Ų55.718%0.18231%0.314CS..Hα-helixtrans-60.3-32.3174.5174.6170.5-76.200112.6F451 L487 G488 S508 F509 L512F451-M484 HydrophobicContact CE1-CG 3.85Å; F451-M484 HydrophobicContact CE2-SD 4.47Å; F451-M484 HydrophobicContact CZ-CE 4.44Å; F451-M484 HydrophobicContact CZ-CG 3.48Å; F451-M484 VanDerWaalsContact CZ-CG 3.48Å; F451-M484 HydrophobicContact CZ-SD 3.77Å; M484-L487 PolarHBondContact O-N 3.43Å; M484-G488 PolarHBondContact O-N 2.94Å; M484-S508 WeakPolarHBondContact CE-O 3.33Å; M484-F509 HydrophobicContact CB-CE1 4.13Å; M484-F509 HydrophobicContact CB-CE2 4.37Å; M484-F509 HydrophobicContact CB-CZ 3.92Å; M484-F509 HydrophobicContact CE-CB 4.45Å; M484-F509 HydrophobicContact CE-CD1 3.81Å; M484-F509 HydrophobicContact CE-CE1 4.24Å; M484-F509 HydrophobicContact CE-CG 4.01Å; M484-L512 HydrophobicContact CE-CB 4.43Å; M484-L512 HydrophobicContact CE-CD2 4.4Å
485R86.2Confident80.1Confident93 Ų9350.4 Ų50.435%0.35129%0.289SS..Hα-helixtrans-65.5-42175.2-176.6-174.4-174.8141.9-2.7111.7S483 L487 G488 Y489 Y861 D863S483-R485 PolarHBondContact O-N 2.98Å; S483-R485 PolarHBondContact OG-N 3.46Å; R485-L487 VanDerWaalsContact C-N 3.31Å; R485-L487 PolarHBondContact O-N 2.68Å; R485-G488 PolarHBondContact O-N 3.01Å; R485-Y489 VanDerWaalsContact O-CB 3.23Å; R485-Y489 WeakPolarHBondContact O-CB 3.46Å; R485-Y489 PolarHBondContact O-N 2.87Å; R485-Y861 HydrophobicContact CG-CD1 4.46Å; R485-D863 IonicContact CZ-OD1 2.64Å; R485-D863 PolarHBondContact NE-O 2.82Å; R485-D863 IonicContact NH2-OD1 3.86Å; R485-D863 PolarHBondContact NH2-OD1 2.93Å; R485-D863 IonicContact NH2-OD2 3.58Å
486D88.6Confident80.1Confident20 Ų2048.8 Ų48.811%0.10728%0.282CS..Hα-helixtrans-65.2-37178.4-61.6-48.1000111.5S483 T490 R865 V867S483-D486 VanDerWaalsContact CB-OD2 3.3Å; S483-D486 WeakPolarHBondContact CB-OD2 3.32Å; S483-D486 PolarHBondContact N-OD2 2.73Å; S483-D486 PolarHBondContact O-N 2.84Å; S483-D486 PolarHBondContact OG-N 2.99Å; S483-D486 VanDerWaalsContact OG-N 3.16Å; S483-D486 PolarHBondContact OG-OD2 2.67Å; D486-T490 VanDerWaalsContact O-CB 3.22Å; D486-T490 WeakPolarHBondContact O-CB 3.01Å; D486-T490 PolarHBondContact O-N 3.08Å; D486-T490 PolarHBondContact O-OG1 3.16Å; D486-R865 HydrophobicContact CB-CB 4.46Å; D486-R865 WeakPolarHBondContact CB-O 3.5Å; D486-R865 WeakPolarHBondContact OD1-CB 3.18Å; D486-R865 PolarHBondContact OD1-N 2.79Å; D486-V867 HydrophobicContact CB-CG1 3.89Å
487L90.8Very high80.7Confident0 Ų050.5 Ų50.50%028%0.284CS..Hα-helixtrans-65.3-50.7172.3-177.260.6000111.8L468 W471 V472 S483 M484 R485 Y489 T490 L491 F509 L512 V867 A869L468-L487 HydrophobicContact CD1-CD1 4.33Å; W471-L487 HydrophobicContact CE3-CD1 4.46Å; W471-L487 HydrophobicContact CH2-CD1 4.19Å; W471-L487 HydrophobicContact CZ3-CD1 3.73Å; W471-L487 HydrophobicContact CZ3-CD2 4.12Å; W471-L487 HydrophobicContact CZ3-CG 4.44Å; V472-L487 HydrophobicContact CG2-CD2 3.91Å; S483-L487 PolarHBondContact O-N 3.1Å; M484-L487 PolarHBondContact O-N 3.43Å; R485-L487 VanDerWaalsContact C-N 3.31Å; R485-L487 PolarHBondContact O-N 2.68Å; L487-Y489 PolarHBondContact O-N 3.47Å; L487-T490 PolarHBondContact O-N 2.9Å; L487-T490 VanDerWaalsContact O-N 3.15Å; L487-L491 HydrophobicContact CD1-CD1 4.03Å; L487-L491 HydrophobicContact CD1-CG 4.17Å; L487-L491 HydrophobicContact CG-CD1 4Å; L487-L491 HydrophobicContact CG-CG 4.5Å; L487-L491 WeakPolarHBondContact O-CG 3.41Å; L487-L491 PolarHBondContact O-N 2.9Å; L487-F509 HydrophobicContact CD2-CE1 4.18Å; L487-L512 HydrophobicContact CD2-CD2 3.64Å; L487-V867 HydrophobicContact CD1-CG2 4.16Å; L487-A869 HydrophobicContact CD1-CB 3.91Å
488G90.6Very high81.7Confident0 Ų045.9 Ų45.90%026%0.259CS..Hα-helixtrans-60.6-42.5178.400000113M484 R485 L491 S492M484-G488 PolarHBondContact O-N 2.94Å; R485-G488 PolarHBondContact O-N 3.01Å; G488-L491 PolarHBondContact O-N 3.46Å; G488-S492 VanDerWaalsContact O-CB 3.28Å; G488-S492 WeakPolarHBondContact O-CB 3.43Å; G488-S492 PolarHBondContact O-N 3.42Å; G488-S492 PolarHBondContact O-OG 3.28Å
489Y89.8Confident83.1Confident34 Ų3442.6 Ų42.613%0.13323%0.227CC..Hα-helixtrans-60.2-45.2171.3174.2-99.8000112.3R485 L487 C493 R494 G864R485-Y489 VanDerWaalsContact O-CB 3.23Å; R485-Y489 WeakPolarHBondContact O-CB 3.46Å; R485-Y489 PolarHBondContact O-N 2.87Å; L487-Y489 PolarHBondContact O-N 3.47Å; Y489-C493 HydrophobicContact CD2-CB 4.06Å; Y489-C493 HydrophobicContact CE2-CB 4.17Å; Y489-C493 WeakPolarHBondContact O-CA 3.45Å; Y489-C493 WeakPolarHBondContact O-CB 3.15Å; Y489-C493 PolarHBondContact O-N 2.97Å; Y489-R494 HydrophobicContact CD1-CG 3.92Å; Y489-R494 HydrophobicContact CE1-CG 3.56Å; Y489-R494 PolarHBondContact OH-NH1 2.9Å; Y489-R494 VanDerWaalsContact OH-NH1 3.07Å; Y489-G864 VanDerWaalsContact CD1-C 3.43Å; Y489-G864 WeakPolarHBondContact CE1-O 3.25Å
490T90.5Very high84.8Confident1 Ų138.9 Ų38.91%0.00619%0.189CC..Hα-helixtrans-62.7-43.4178.2-66.80000112D486 L487 R495 R865 L866 V867D486-T490 VanDerWaalsContact O-CB 3.22Å; D486-T490 WeakPolarHBondContact O-CB 3.01Å; D486-T490 PolarHBondContact O-N 3.08Å; D486-T490 PolarHBondContact O-OG1 3.16Å; L487-T490 PolarHBondContact O-N 2.9Å; L487-T490 VanDerWaalsContact O-N 3.15Å; T490-R495 WeakPolarHBondContact O-CG 3.45Å; T490-R865 PolarHBondContact OG1-O 3.3Å; T490-L866 HydrophobicContact CG2-CD1 3.84Å; T490-V867 HydrophobicContact CG2-CG2 4.05Å; T490-V867 PolarHBondContact OG1-N 2.88Å; T490-V867 VanDerWaalsContact OG1-N 3.15Å
491L91.4Very high86.2Confident9 Ų937.8 Ų37.85%0.04718%0.177CC..Hα-helixtrans-71.4-41.6-179.8-66.7172.7000112.5F451 L468 L487 G488F451-L491 HydrophobicContact CB-CD1 4.26Å; F451-L491 HydrophobicContact CD1-CD1 4.38Å; L468-L491 HydrophobicContact CD2-CD1 3.94Å; L468-L491 HydrophobicContact CD2-CD2 4.19Å; L487-L491 HydrophobicContact CD1-CD1 4.03Å; L487-L491 HydrophobicContact CD1-CG 4.17Å; L487-L491 HydrophobicContact CG-CD1 4Å; L487-L491 HydrophobicContact CG-CG 4.5Å; L487-L491 WeakPolarHBondContact O-CG 3.41Å; L487-L491 PolarHBondContact O-N 2.9Å; G488-L491 PolarHBondContact O-N 3.46Å
492S87.6Confident87.5Confident8 Ų826.6 Ų26.66%0.05614%0.136CC..Hα-helixtrans-92.2-27.5-169.7-37.90000115P452 G488 H497 Y861P452-S492 WeakPolarHBondContact CD-OG 3.33Å; P452-S492 WeakPolarHBondContact CG-OG 3.5Å; G488-S492 VanDerWaalsContact O-CB 3.28Å; G488-S492 WeakPolarHBondContact O-CB 3.43Å; G488-S492 PolarHBondContact O-N 3.42Å; G488-S492 PolarHBondContact O-OG 3.28Å; S492-H497 PolarHBondContact O-CE1 3.35Å; S492-Y861 WeakPolarHBondContact OG-CE2 3.47Å
493C85.2Confident88.2Confident44 Ų4425.9 Ų25.930%0.29713%0.132SC..Hα-helixtrans-122.9-8.6-168.9-59.10000113.8Y489Y489-C493 HydrophobicContact CD2-CB 4.06Å; Y489-C493 HydrophobicContact CE2-CB 4.17Å; Y489-C493 WeakPolarHBondContact O-CA 3.45Å; Y489-C493 WeakPolarHBondContact O-CB 3.15Å; Y489-C493 PolarHBondContact O-N 2.97Å
494R83.8Confident88.6Confident46 Ų4624.1 Ų24.117%0.17412%0.119CC..SBendtrans-126.718.2-173.5-51-60.5-60-123.26.1113.7G111 Y489 L866G111-R494 CarbonylContact C-O 3.42Å; G111-R494 WeakPolarHBondContact CA-O 3.23Å; G111-R494 VanDerWaalsContact O-CZ 3.24Å; G111-R494 PolarHBondContact O-NE 2.96Å; G111-R494 PolarHBondContact O-NH2 2.99Å; Y489-R494 HydrophobicContact CD1-CG 3.92Å; Y489-R494 HydrophobicContact CE1-CG 3.56Å; Y489-R494 PolarHBondContact OH-NH1 2.9Å; Y489-R494 VanDerWaalsContact OH-NH1 3.07Å; R494-L866 HydrophobicContact CB-CD1 4.01Å; R494-L866 HydrophobicContact CG-CD1 4.36Å
495R82.9Confident88.8Confident21 Ų2124.1 Ų24.18%0.07912%0.121CC..SBendtrans-145.6157-178.6-69.5-179.3179.5-152.9-7.7111.1T490 A869 P870T490-R495 WeakPolarHBondContact O-CG 3.45Å; R495-A869 PolarHBondContact NH2-O 2.81Å; R495-P870 VanDerWaalsContact CZ-O 3.27Å; R495-P870 PolarHBondContact NH1-O 3.1Å; R495-P870 PolarHBondContact NH2-O 2.81Å
496A83.4Confident89.1Confident13 Ų1319.7 Ų19.711%0.10710%0.104CC..  trans-79.6134.8169.600000111.2W104 R498W104-A496 HydrophobicContact CZ2-CB 3.85Å; A496-R498 PolarHBondContact O-N 3.36Å
497H86.8Confident89Confident58 Ų5821.7 Ų21.727%0.26912%0.12SC..  trans-84.399.9175.1-64.9116.7000110.6P452 S492 H849 F857P452-H497 WeakPolarHBondContact CG-NE2 3.37Å; S492-H497 PolarHBondContact O-CE1 3.35Å; H497-H849 AromaticContact CD2-CE1 3.64Å; H497-H849 AromaticContact CD2-NE2 3.96Å; H497-H849 AromaticContact CG-CE1 3.66Å; H497-F857 AromaticContact CE1-CD2 3.99Å
498R88.1Confident88.8Confident6 Ų623.4 Ų23.42%0.02313%0.132CC..  trans-67.1163.8-177-48.2-55.8-171.191.118.6112.1W104 E108 S454 A455 T456 A496 V500 R501 P872 W874W104-R498 VanDerWaalsContact CD1-NH2 3.3Å; W104-R498 VanDerWaalsContact NE1-CZ 3.29Å; E108-R498 VanDerWaalsContact CD-NH2 3.3Å; E108-R498 IonicContact OE1-CZ 3.25Å; E108-R498 IonicContact OE1-NE 3.93Å; E108-R498 PolarHBondContact OE1-NE 3.31Å; E108-R498 VanDerWaalsContact OE1-NE 3.1Å; E108-R498 IonicContact OE1-NH2 2.74Å; E108-R498 PolarHBondContact OE1-NH2 2.78Å; E108-R498 IonicContact OE2-NH2 2.87Å; E108-R498 PolarHBondContact OE2-NH2 3.4Å; S454-R498 PolarHBondContact OG-N 3.46Å; A455-R498 VanDerWaalsContact C-CB 3.48Å; A455-R498 WeakPolarHBondContact O-CB 3.39Å; T456-R498 HydrophobicContact CG2-CB 4.39Å; A496-R498 PolarHBondContact O-N 3.36Å; R498-V500 PolarHBondContact O-N 3.24Å; R498-R501 WeakPolarHBondContact O-CD 3.3Å; R498-P872 HydrophobicContact CG-CB 4.37Å; R498-P872 HydrophobicContact CG-CG 4.49Å; R498-W874 VanDerWaalsContact NH1-CH2 3.26Å
499P86.9Confident88.7Confident52 Ų5225.3 Ų25.334%0.33814%0.14SC..SBendtrans-62.3-34-167.2-27.836.6000116.9A529P499-A529 VanDerWaalsContact O-CB 3.3Å; P499-A529 WeakPolarHBondContact O-CB 3.37Å; P499-A529 PolarHBondContact O-N 3.13Å
500V91.7Very high88.7Confident2 Ų230.2 Ų30.21%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-98.4111.6174.5-175.80000108.1S454 A455 A458 L461 R498 P528S454-V500 CarbonylContact C-O 3.55Å; S454-V500 VanDerWaalsContact CA-O 3.3Å; S454-V500 WeakPolarHBondContact CA-O 3.47Å; A455-V500 PolarHBondContact N-O 3.1Å; A455-V500 PolarHBondContact O-N 3.21Å; A455-V500 VanDerWaalsContact O-O 3.05Å; A458-V500 HydrophobicContact CB-CG1 4.44Å; L461-V500 HydrophobicContact CB-CG1 4.39Å; L461-V500 HydrophobicContact CD2-CG1 4.06Å; R498-V500 PolarHBondContact O-N 3.24Å; V500-P528 HydrophobicContact CG2-CB 4.18Å; V500-P528 HydrophobicContact CG2-CG 3.94Å
501R92.3Very high88.8Confident27 Ų2734 Ų3410%0.10219%0.186CC..EExtended strand (participates in β ladder)trans-145.5145.7-168.666.8-159.8-159.2-172.78.3113.6V453 R498 H849 N850 G852 A853V453-R501 WeakPolarHBondContact O-CA 3.35Å; R498-R501 WeakPolarHBondContact O-CD 3.3Å; R501-H849 WeakPolarHBondContact CD-NE2 3.48Å; R501-H849 VanDerWaalsContact CZ-O 3.29Å; R501-H849 PolarHBondContact NE-O 3.01Å; R501-H849 PolarHBondContact NH2-O 2.79Å; R501-N850 PolarHBondContact O-OD1 3.14Å; R501-G852 VanDerWaalsContact NH2-CA 3.28Å; R501-G852 PolarHBondContact NH2-O 2.9Å; R501-A853 PolarHBondContact NH2-O 2.75Å
502T93.1Very high88.9Confident13 Ų1333.7 Ų33.78%0.0819%0.185CC..EExtended strand (participates in β ladder)trans-134.6168.6176.6-165.90000110.1P452 V453 L461 V519 N850P452-T502 WeakPolarHBondContact CA-O 3.24Å; V453-T502 HydrophobicContact CB-CG2 4.41Å; V453-T502 PolarHBondContact N-O 3.34Å; V453-T502 PolarHBondContact O-N 2.72Å; V453-T502 VanDerWaalsContact O-O 3.1Å; L461-T502 HydrophobicContact CD1-CG2 4.35Å; L461-T502 HydrophobicContact CD2-CG2 4.02Å; T502-V519 HydrophobicContact CG2-CG1 4Å; T502-V519 HydrophobicContact CG2-CG2 4.04Å; T502-N850 VanDerWaalsContact CA-OD1 3.22Å; T502-N850 WeakPolarHBondContact CA-OD1 3.27Å
503V93.3Very high89.2Confident13 Ų1333.5 Ų33.58%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-129.6120173.1-175.20000108.4L450 F451 P452 A846 H849 N850 F857L450-V503 HydrophobicContact CB-CG1 3.68Å; L450-V503 HydrophobicContact CD2-CG1 4.07Å; L450-V503 HydrophobicContact CG-CG1 4.31Å; F451-V503 WeakPolarHBondContact O-CA 3.46Å; P452-V503 HydrophobicContact CB-CG2 4.33Å; V503-A846 HydrophobicContact CB-CB 3.75Å; V503-A846 HydrophobicContact CG1-CB 4.46Å; V503-A846 HydrophobicContact CG2-CB 4.17Å; V503-H849 HydrophobicContact CG2-CB 3.99Å; V503-H849 VanDerWaalsContact CG2-CD2 3.47Å; V503-H849 WeakPolarHBondContact CG2-CD2 3.22Å; V503-N850 PolarHBondContact N-OD1 2.86Å; V503-F857 HydrophobicContact CG2-CZ 4.31Å
504V92.7Very high89.6Confident9 Ų933.8 Ų33.86%0.05519%0.189CC..EExtended strand (participates in β ladder)trans-92.2143.9173.9-61.30000110.8F451 L512 A515 L516 V519F451-V504 HydrophobicContact CB-CG2 3.83Å; F451-V504 PolarHBondContact N-O 3.11Å; F451-V504 PolarHBondContact O-N 3Å; V504-L512 HydrophobicContact CG2-CD1 3.57Å; V504-A515 HydrophobicContact CB-CB 3.92Å; V504-A515 HydrophobicContact CG1-CB 4.18Å; V504-L516 HydrophobicContact CG1-CD2 4.47Å; V504-L516 HydrophobicContact CG2-CD2 4Å; V504-L516 HydrophobicContact CG2-CG 4.31Å; V504-V519 HydrophobicContact CG1-CG2 3.62Å
505T90Very high90Very high37 Ų3732.6 Ų32.623%0.22719%0.189CC..EExtended strand (participates in β ladder)trans-106.4125.418058.60000111.2L448 A449 L450L448-T505 HydrophobicContact CD2-CG2 4.16Å; A449-T505 WeakPolarHBondContact O-CA 3.48Å; L450-T505 HydrophobicContact CD2-CG2 3.71Å
506A91.2Very high90.6Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-150.5156.3178.800000113A449 F451 E511 L512A449-A506 PolarHBondContact N-O 2.85Å; A449-A506 PolarHBondContact O-N 3.43Å; A449-A506 VanDerWaalsContact O-N 3.14Å; F451-A506 HydrophobicContact CD2-CB 4.39Å; F451-A506 HydrophobicContact CE2-CB 3.99Å; A506-E511 HydrophobicContact CB-CB 3.91Å; A506-L512 HydrophobicContact CB-CB 3.74Å; A506-L512 HydrophobicContact CB-CD1 4.25Å
507S86.4Confident91.2Very high63 Ų6335.8 Ų35.844%0.44120%0.198SC..SBendtrans-121-14.1171.872.80000113.6E511S507-E511 WeakPolarHBondContact CA-OE2 3.2Å; S507-E511 WeakPolarHBondContact CB-OE2 3.15Å; S507-E511 PolarHBondContact N-OE2 2.82Å; S507-E511 PolarHBondContact OG-OE1 3.17Å; S507-E511 PolarHBondContact OG-OE2 3.43Å
508S87.5Confident91.5Very high35 Ų3538.6 Ų38.625%0.24522%0.215CC..SBendtrans-133.2157.8175.468.60000111.8M484 D510 E511 L512M484-S508 WeakPolarHBondContact CE-O 3.33Å; S508-D510 PolarHBondContact O-N 3.34Å; S508-E511 WeakPolarHBondContact CB-OE1 3.29Å; S508-E511 PolarHBondContact N-OE2 3.44Å; S508-E511 PolarHBondContact O-N 3.42Å; S508-E511 VanDerWaalsContact OG-CG 3.3Å; S508-E511 WeakPolarHBondContact OG-CG 3.41Å; S508-E511 PolarHBondContact OG-N 2.85Å; S508-E511 PolarHBondContact OG-OE1 3.21Å; S508-L512 PolarHBondContact O-N 2.82Å
509F88.9Confident91.7Very high40 Ų4038.8 Ų38.818%0.17522%0.217CC..Hα-helixtrans-64.4-30.8179.8-83.2-58.1000112.1V472 G476 V482 M484 L487 L512 S513V472-F509 HydrophobicContact CG1-CB 4.23Å; V472-F509 HydrophobicContact CG1-CD1 3.85Å; V472-F509 HydrophobicContact CG1-CG 4.44Å; G476-F509 WeakPolarHBondContact O-CD2 3.32Å; V482-F509 HydrophobicContact CG1-CZ 4.32Å; M484-F509 HydrophobicContact CB-CE1 4.13Å; M484-F509 HydrophobicContact CB-CE2 4.37Å; M484-F509 HydrophobicContact CB-CZ 3.92Å; M484-F509 HydrophobicContact CE-CB 4.45Å; M484-F509 HydrophobicContact CE-CD1 3.81Å; M484-F509 HydrophobicContact CE-CE1 4.24Å; M484-F509 HydrophobicContact CE-CG 4.01Å; L487-F509 HydrophobicContact CD2-CE1 4.18Å; F509-L512 HydrophobicContact CD1-CD2 4.36Å; F509-L512 PolarHBondContact O-N 2.9Å; F509-S513 WeakPolarHBondContact O-CB 3.45Å; F509-S513 PolarHBondContact O-N 3.16Å
510D89.7Confident92Very high137 Ų13737.7 Ų37.773%0.73321%0.213SC*.Hα-helixtrans-65.6-44.2174.9-57.3-21.3000111.1S508 S513 A514S508-D510 PolarHBondContact O-N 3.34Å; D510-S513 PolarHBondContact O-N 3.49Å; D510-A514 WeakPolarHBondContact O-CB 3.13Å; D510-A514 PolarHBondContact O-N 2.83Å
511E91.8Very high91.8Very high81 Ų8140.5 Ų40.538%0.37924%0.242SC..Hα-helixtrans-62.2-40.8172-76.1153.2-127.800112.3A506 S507 S508 A514 A515A506-E511 HydrophobicContact CB-CB 3.91Å; S507-E511 WeakPolarHBondContact CA-OE2 3.2Å; S507-E511 WeakPolarHBondContact CB-OE2 3.15Å; S507-E511 PolarHBondContact N-OE2 2.82Å; S507-E511 PolarHBondContact OG-OE1 3.17Å; S507-E511 PolarHBondContact OG-OE2 3.43Å; S508-E511 WeakPolarHBondContact CB-OE1 3.29Å; S508-E511 PolarHBondContact N-OE2 3.44Å; S508-E511 PolarHBondContact O-N 3.42Å; S508-E511 VanDerWaalsContact OG-CG 3.3Å; S508-E511 WeakPolarHBondContact OG-CG 3.41Å; S508-E511 PolarHBondContact OG-N 2.85Å; S508-E511 PolarHBondContact OG-OE1 3.21Å; E511-A514 PolarHBondContact O-N 2.96Å; E511-A515 WeakPolarHBondContact O-CB 3.37Å; E511-A515 PolarHBondContact O-N 3.11Å
512L93.1Very high91.1Very high2 Ų242.1 Ų42.11%0.0125%0.252CS..Hα-helixtrans-66-44.2179-178.157.1000111.2F451 V472 M484 L487 V504 A506 S508 F509 A515 L516F451-L512 HydrophobicContact CB-CD1 4.08Å; F451-L512 HydrophobicContact CD1-CD1 4.4Å; F451-L512 HydrophobicContact CD1-CD2 4.15Å; F451-L512 HydrophobicContact CD2-CD1 3.67Å; F451-L512 HydrophobicContact CD2-CD2 4.48Å; F451-L512 HydrophobicContact CE1-CD2 4.13Å; F451-L512 HydrophobicContact CE2-CD1 4.23Å; F451-L512 HydrophobicContact CE2-CD2 4.47Å; F451-L512 HydrophobicContact CG-CD1 3.78Å; F451-L512 HydrophobicContact CG-CD2 4.34Å; F451-L512 HydrophobicContact CZ-CD2 4.31Å; V472-L512 HydrophobicContact CG2-CD2 4.24Å; M484-L512 HydrophobicContact CE-CB 4.43Å; M484-L512 HydrophobicContact CE-CD2 4.4Å; L487-L512 HydrophobicContact CD2-CD2 3.64Å; V504-L512 HydrophobicContact CG2-CD1 3.57Å; A506-L512 HydrophobicContact CB-CB 3.74Å; A506-L512 HydrophobicContact CB-CD1 4.25Å; S508-L512 PolarHBondContact O-N 2.82Å; F509-L512 HydrophobicContact CD1-CD2 4.36Å; F509-L512 PolarHBondContact O-N 2.9Å; L512-A515 PolarHBondContact O-N 2.85Å; L512-L516 HydrophobicContact CD1-CD1 4.03Å; L512-L516 HydrophobicContact CD1-CG 4.12Å; L512-L516 HydrophobicContact CG-CD1 3.95Å; L512-L516 HydrophobicContact CG-CG 4.48Å; L512-L516 WeakPolarHBondContact O-CB 3.43Å; L512-L516 WeakPolarHBondContact O-CD1 3.31Å; L512-L516 WeakPolarHBondContact O-CG 3.5Å; L512-L516 PolarHBondContact O-N 3.45Å
513S94.3Very high90Very high5 Ų550.3 Ų50.34%0.03529%0.29CS..Hα-helixtrans-62-42175.1-177.30000111.7D473 F509 D510 R517D473-S513 WeakPolarHBondContact OD1-CB 3.36Å; D473-S513 PolarHBondContact OD1-OG 2.93Å; F509-S513 WeakPolarHBondContact O-CB 3.45Å; F509-S513 PolarHBondContact O-N 3.16Å; D510-S513 PolarHBondContact O-N 3.49Å; S513-R517 WeakPolarHBondContact O-CB 3.5Å; S513-R517 WeakPolarHBondContact O-CG 3.37Å; S513-R517 PolarHBondContact O-N 2.98Å; S513-R517 PolarHBondContact OG-NH1 3.31Å
514A94Very high88.7Confident50 Ų5054.8 Ų54.841%0.41331%0.312SS..Hα-helixtrans-61.7-52.5174.800000112D510 E511 L516 R517 D518D510-A514 WeakPolarHBondContact O-CB 3.13Å; D510-A514 PolarHBondContact O-N 2.83Å; E511-A514 PolarHBondContact O-N 2.96Å; A514-L516 VanDerWaalsContact C-N 3.32Å; A514-L516 PolarHBondContact O-N 3.37Å; A514-R517 CarbonylContact O-C 3.48Å; A514-R517 WeakPolarHBondContact O-CA 3.24Å; A514-R517 WeakPolarHBondContact O-CB 3.44Å; A514-R517 PolarHBondContact O-N 2.92Å; A514-D518 PolarHBondContact O-N 3.4Å
515A92.6Very high87.6Confident21 Ų2158.7 Ų58.717%0.17434%0.338CS..Hα-helixtrans-64.8-33.9-178.500000113V504 E511 L512 V519V504-A515 HydrophobicContact CB-CB 3.92Å; V504-A515 HydrophobicContact CG1-CB 4.18Å; E511-A515 WeakPolarHBondContact O-CB 3.37Å; E511-A515 PolarHBondContact O-N 3.11Å; L512-A515 PolarHBondContact O-N 2.85Å; A515-V519 WeakPolarHBondContact O-CG2 3.16Å; A515-V519 PolarHBondContact O-N 2.8Å; A515-V519 VanDerWaalsContact O-N 3.09Å
516L95.3Very high87.3Confident1 Ų158.9 Ų58.91%0.00534%0.335CS..Hα-helixtrans-68.1-34.4171.6-71170.4000112.3V453 A465 L468 A469 V472 V504 L512 A514 A520V453-L516 HydrophobicContact CG2-CD2 3.71Å; A465-L516 HydrophobicContact CB-CD2 4.44Å; A465-L516 WeakPolarHBondContact CB-O 3.09Å; L468-L516 HydrophobicContact CB-CD1 4.2Å; L468-L516 HydrophobicContact CD2-CD1 3.94Å; L468-L516 HydrophobicContact CD2-CD2 3.87Å; L468-L516 HydrophobicContact CG-CD1 3.75Å; L468-L516 HydrophobicContact CG-CD2 4.45Å; A469-L516 HydrophobicContact CB-CB 3.86Å; A469-L516 HydrophobicContact CB-CD1 4.49Å; V472-L516 HydrophobicContact CG2-CD1 4.3Å; V504-L516 HydrophobicContact CG1-CD2 4.47Å; V504-L516 HydrophobicContact CG2-CD2 4Å; V504-L516 HydrophobicContact CG2-CG 4.31Å; L512-L516 HydrophobicContact CD1-CD1 4.03Å; L512-L516 HydrophobicContact CD1-CG 4.12Å; L512-L516 HydrophobicContact CG-CD1 3.95Å; L512-L516 HydrophobicContact CG-CG 4.48Å; L512-L516 WeakPolarHBondContact O-CB 3.43Å; L512-L516 WeakPolarHBondContact O-CD1 3.31Å; L512-L516 WeakPolarHBondContact O-CG 3.5Å; L512-L516 PolarHBondContact O-N 3.45Å; A514-L516 VanDerWaalsContact C-N 3.32Å; A514-L516 PolarHBondContact O-N 3.37Å; L516-A520 WeakPolarHBondContact O-CB 3.37Å; L516-A520 PolarHBondContact O-N 3.21Å
517R95.6Very high86.9Confident99 Ų9965.3 Ų65.337%0.37437%0.365SS..Hα-helixtrans-74.2-32.9175.1-77.8176.5170.6137.9-2.4113.1A469 D470 D473 S513 A514 A520 G521A469-R517 HydrophobicContact CB-CG 3.81Å; D470-R517 IonicContact OD1-NH2 2.66Å; D470-R517 PolarHBondContact OD1-NH2 2.84Å; D473-R517 VanDerWaalsContact CG-NH1 3.3Å; D473-R517 IonicContact OD1-CZ 2.82Å; D473-R517 IonicContact OD1-NH1 2.71Å; D473-R517 PolarHBondContact OD1-NH1 3.45Å; D473-R517 IonicContact OD1-NH2 2.72Å; D473-R517 IonicContact OD2-CZ 3.35Å; D473-R517 IonicContact OD2-NH1 2.67Å; D473-R517 PolarHBondContact OD2-NH1 2.78Å; D473-R517 IonicContact OD2-NH2 3.48Å; D473-R517 PolarHBondContact OD2-NH2 3.25Å; S513-R517 WeakPolarHBondContact O-CB 3.5Å; S513-R517 WeakPolarHBondContact O-CG 3.37Å; S513-R517 PolarHBondContact O-N 2.98Å; S513-R517 PolarHBondContact OG-NH1 3.31Å; A514-R517 CarbonylContact O-C 3.48Å; A514-R517 WeakPolarHBondContact O-CA 3.24Å; A514-R517 WeakPolarHBondContact O-CB 3.44Å; A514-R517 PolarHBondContact O-N 2.92Å; R517-A520 PolarHBondContact O-N 2.92Å; R517-G521 PolarHBondContact O-N 2.88Å
518D92.5Very high86.9Confident117 Ų11765.9 Ų65.963%0.62637%0.367SS*.Hα-helixtrans-61.1-51.6169.1-69.1-26.5000109.5A514 A520 G521 D522A514-D518 PolarHBondContact O-N 3.4Å; D518-A520 VanDerWaalsContact C-N 3.26Å; D518-A520 PolarHBondContact O-N 3.35Å; D518-G521 PolarHBondContact O-N 3.36Å; D518-D522 WeakPolarHBondContact O-CB 3.45Å; D518-D522 PolarHBondContact O-N 2.96Å
519V93Very high86.9Confident10 Ų1064.6 Ų64.66%0.06136%0.359CS..Hα-helixtrans-56.8-38173.5172.80000112.2L461 H462 A465 T502 V504 A515 G521 Y526L461-V519 HydrophobicContact CG-CG1 4.27Å; H462-V519 PolarHBondContact ND1-O 3.24Å; A465-V519 HydrophobicContact CB-CB 4.06Å; A465-V519 HydrophobicContact CB-CG1 3.69Å; T502-V519 HydrophobicContact CG2-CG1 4Å; T502-V519 HydrophobicContact CG2-CG2 4.04Å; V504-V519 HydrophobicContact CG1-CG2 3.62Å; A515-V519 WeakPolarHBondContact O-CG2 3.16Å; A515-V519 PolarHBondContact O-N 2.8Å; A515-V519 VanDerWaalsContact O-N 3.09Å; V519-G521 VanDerWaalsContact C-N 3.34Å; V519-Y526 HydrophobicContact CG1-CE2 4.25Å
520A92Very high86.8Confident30 Ų3064.1 Ų64.125%0.24836%0.359CS..Hα-helixtrans-73.4-21.5178.600000114.5A465 A466 L516 R517 D518A465-A520 HydrophobicContact CB-CB 4.17Å; A466-A520 HydrophobicContact CB-CB 3.88Å; L516-A520 WeakPolarHBondContact O-CB 3.37Å; L516-A520 PolarHBondContact O-N 3.21Å; R517-A520 PolarHBondContact O-N 2.92Å; D518-A520 VanDerWaalsContact C-N 3.26Å; D518-A520 PolarHBondContact O-N 3.35Å
521G88.6Confident86.4Confident60 Ų6058.1 Ų58.162%0.61933%0.329SS*.Hα-helixtrans-109.2-9-177.100000115.4R517 D518 V519R517-G521 PolarHBondContact O-N 2.88Å; D518-G521 PolarHBondContact O-N 3.36Å; V519-G521 VanDerWaalsContact C-N 3.34Å
522D77Confident85.3Confident61 Ų6158.6 Ų58.633%0.32633%0.331SS..  trans-66.6151.5-178.5-157.5-10.3000112.5H462 D518 I524H462-D522 PolarHBondContact CE1-O 3.37Å; D518-D522 WeakPolarHBondContact O-CB 3.45Å; D518-D522 PolarHBondContact O-N 2.96Å; D522-I524 WeakPolarHBondContact OD1-CG1 3.15Å; D522-I524 PolarHBondContact OD1-N 2.89Å; D522-I524 WeakPolarHBondContact OD2-CD1 3.36Å
523Q71.1Confident83.8Confident185 Ų18563 Ų6386%0.86436%0.355SS*.  trans-107.91.3171.7-63-173.2-6.900112.5P525Q523-P525 WeakPolarHBondContact O-CD 3.3Å
524I65.3Low82.6Confident107 Ų10767.4 Ų67.455%0.54938%0.378SS..SBendtrans-63.1122.8169.4-67.4176.5000109.2D522 Y526D522-I524 WeakPolarHBondContact OD1-CG1 3.15Å; D522-I524 PolarHBondContact OD1-N 2.89Å; D522-I524 WeakPolarHBondContact OD2-CD1 3.36Å; I524-Y526 PolarHBondContact O-N 3.2Å
525P69.2Low82.2Confident92 Ų9269.1 Ų69.160%0.59737%0.374SS*.  trans-77.797-174.530.6-35.2000111.4Q523 Q527Q523-P525 WeakPolarHBondContact O-CD 3.3Å; P525-Q527 PolarHBondContact O-N 3.44Å; P525-Q527 PolarHBondContact O-NE2 3.17Å
526Y83.9Confident82.1Confident41 Ų4168.8 Ų68.816%0.16137%0.372CS..  trans-56.2107173.7-65.9-73.8000111.4L461 H462 V519 I524L461-Y526 HydrophobicContact CD2-CD1 4.05Å; L461-Y526 HydrophobicContact CD2-CD2 3.94Å; L461-Y526 HydrophobicContact CD2-CE2 4.37Å; L461-Y526 HydrophobicContact CD2-CG 3.77Å; H462-Y526 AromaticContact CE1-CD2 3.83Å; H462-Y526 AromaticContact CE1-CE2 3.7Å; V519-Y526 HydrophobicContact CG1-CE2 4.25Å; I524-Y526 PolarHBondContact O-N 3.2Å
527Q83.1Confident82.1Confident135 Ų13568.8 Ų68.863%0.63137%0.372SS*.PPolyproline II helixtrans-76.1148.7178.3-61.9-55.5-63.100111.3P525P525-Q527 PolarHBondContact O-N 3.44Å; P525-Q527 PolarHBondContact O-NE2 3.17Å
528P85.8Confident82.2Confident75 Ų7564 Ų6449%0.48736%0.355SS..PPolyproline II helixtrans-58.5143.7166.5-21.933000112.2V500 V530V500-P528 HydrophobicContact CG2-CB 4.18Å; V500-P528 HydrophobicContact CG2-CG 3.94Å; P528-V530 PolarHBondContact O-N 3.3Å
529A88.9Confident82.4Confident8 Ų858.5 Ų58.57%0.06633%0.325CS..PPolyproline II helixtrans-52.3128.9170.700000111.8P499 H532 G852P499-A529 VanDerWaalsContact O-CB 3.3Å; P499-A529 WeakPolarHBondContact O-CB 3.37Å; P499-A529 PolarHBondContact O-N 3.13Å; A529-H532 PolarHBondContact O-CE1 3.21Å; A529-H532 VanDerWaalsContact O-CE1 3.25Å; A529-G852 VanDerWaalsContact CB-CA 3.49Å
530V86.7Confident82.7Confident30 Ų3058.2 Ų58.218%0.18232%0.323CS..SBendtrans-86.1-26.1172.6-61.80000111.8P528 H532 R799 V800 P824 A826 A851P528-V530 PolarHBondContact O-N 3.3Å; V530-H532 PolarHBondContact O-CE1 3.35Å; V530-H532 PolarHBondContact O-ND1 3.24Å; V530-R799 HydrophobicContact CB-CB 4.34Å; V530-R799 HydrophobicContact CG2-CB 4.21Å; V530-R799 VanDerWaalsContact O-CB 3.26Å; V530-R799 WeakPolarHBondContact O-CB 3.33Å; V530-R799 WeakPolarHBondContact O-CG 3.28Å; V530-V800 HydrophobicContact CG2-CG2 4.17Å; V530-P824 HydrophobicContact CG1-CB 4.27Å; V530-A826 HydrophobicContact CG2-CB 3.61Å; V530-A851 WeakPolarHBondContact CG2-O 3.38Å; V530-A851 PolarHBondContact N-O 2.79Å
531G80.3Confident83Confident11 Ų1156.8 Ų56.811%0.11331%0.311CS..  trans-73126.2170.600000111.4A851 G852G531-A851 PolarHBondContact N-O 2.8Å; G531-G852 WeakPolarHBondContact O-CA 3.12Å
532H68.4Low83.2Confident90 Ų9053.9 Ų53.942%0.41728%0.282SS..  trans-126.1177.3176.9-62.580.8000109.2A529 V530 D534A529-H532 PolarHBondContact O-CE1 3.21Å; A529-H532 VanDerWaalsContact O-CE1 3.25Å; V530-H532 PolarHBondContact O-CE1 3.35Å; V530-H532 PolarHBondContact O-ND1 3.24Å; H532-D534 PolarHBondContact O-N 2.97Å; H532-D534 VanDerWaalsContact O-N 3.16Å
533D63Low83.6Confident94 Ų9451.2 Ų51.250%0.50327%0.269SS..THydrogen-bonded Turntrans58.124.8175.9-28.9-29.5000115.6R535D533-R535 HydrophobicContact CB-CG 4.11Å; D533-R535 PolarHBondContact O-N 2.8Å; D533-R535 IonicContact OD2-CZ 3.46Å; D533-R535 IonicContact OD2-NE 2.89Å; D533-R535 PolarHBondContact OD2-NE 2.77Å; D533-R535 VanDerWaalsContact OD2-NE 3.13Å; D533-R535 IonicContact OD2-NH2 3.38Å; D533-R535 PolarHBondContact OD2-NH2 2.78Å
534D68.1Low84.4Confident98 Ų9844.2 Ų44.252%0.52424%0.236SC..THydrogen-bonded Turntrans57.728.7172.2-129.222.4000114.2H532 K854H532-D534 PolarHBondContact O-N 2.97Å; H532-D534 VanDerWaalsContact O-N 3.16Å; D534-K854 HydrophobicContact CB-CD 4.21Å; D534-K854 VanDerWaalsContact O-CB 3.27Å; D534-K854 WeakPolarHBondContact O-CB 3.31Å; D534-K854 WeakPolarHBondContact O-CD 3.47Å; D534-K854 WeakPolarHBondContact OD2-CD 3.38Å; D534-K854 WeakPolarHBondContact OD2-CE 3.48Å; D534-K854 IonicContact OD2-NZ 3.55Å; D534-K854 PolarHBondContact OD2-NZ 2.81Å
535R85.8Confident85.5Confident86 Ų8640.8 Ų40.833%0.32523%0.227SC..PPolyproline II helixtrans-80.5147.1-178.4-53.4-174.5-168.2-152.59.8111.9D533 D796 A853 K854D533-R535 HydrophobicContact CB-CG 4.11Å; D533-R535 PolarHBondContact O-N 2.8Å; D533-R535 IonicContact OD2-CZ 3.46Å; D533-R535 IonicContact OD2-NE 2.89Å; D533-R535 PolarHBondContact OD2-NE 2.77Å; D533-R535 VanDerWaalsContact OD2-NE 3.13Å; D533-R535 IonicContact OD2-NH2 3.38Å; D533-R535 PolarHBondContact OD2-NH2 2.78Å; R535-D796 PolarHBondContact NH1-O 2.97Å; R535-A853 WeakPolarHBondContact O-CA 3.36Å; R535-K854 PolarHBondContact O-N 2.94Å
536G90.1Very high86.6Confident14 Ų1436.4 Ų36.414%0.14420%0.199CC..PPolyproline II helixtrans-69156166.700000112.2R618 G620G536-R618 VanDerWaalsContact CA-O 3.29Å; G536-R618 WeakPolarHBondContact CA-O 3.21Å; G536-G620 VanDerWaalsContact C-N 3.27Å; G536-G620 WeakPolarHBondContact O-CA 3.42Å; G536-G620 PolarHBondContact O-N 2.91Å
537P95.6Very high87Confident1 Ų135.7 Ų35.71%0.00620%0.197CC..PPolyproline II helixtrans-69.6164.6179.931.9-36.4000112.1W539 V617 R618 P619 G620 V800 V848 A853P537-W539 HydrophobicContact CB-CE3 4.16Å; P537-W539 HydrophobicContact CB-CH2 4.13Å; P537-W539 HydrophobicContact CB-CZ3 3.73Å; P537-W539 HydrophobicContact CG-CD2 4.38Å; P537-W539 HydrophobicContact CG-CE3 3.96Å; P537-W539 HydrophobicContact CG-CH2 3.3Å; P537-W539 HydrophobicContact CG-CZ2 3.75Å; P537-W539 HydrophobicContact CG-CZ3 3.41Å; P537-W539 VanDerWaalsContact CG-CZ3 3.41Å; P537-V617 HydrophobicContact CG-CG1 3.97Å; P537-R618 WeakPolarHBondContact CD-O 3.32Å; P537-P619 CarbonylContact O-C 3.47Å; P537-P619 WeakPolarHBondContact O-CA 3.5Å; P537-G620 PolarHBondContact O-N 3.38Å; P537-V800 HydrophobicContact CB-CB 4.34Å; P537-V800 HydrophobicContact CB-CG1 4.04Å; P537-V848 HydrophobicContact CB-CG1 4.35Å; P537-V848 HydrophobicContact CG-CG1 3.94Å; P537-A853 HydrophobicContact CB-CB 4.01Å; P537-A853 HydrophobicContact CG-CB 4.37Å
538V97.5Very high87.6Confident0 Ų031.3 Ų31.30%017%0.174CC..EExtended strand (participates in β ladder)trans-88.8119.7170.5-169.70000109.3A621 I623 Y798 V800 F801 G802V538-A621 VanDerWaalsContact CA-O 3.3Å; V538-A621 WeakPolarHBondContact CA-O 3.49Å; V538-A621 HydrophobicContact CG1-CB 4.25Å; V538-A621 HydrophobicContact CG2-CB 4.27Å; V538-I623 HydrophobicContact CG1-CD1 3.97Å; V538-I623 HydrophobicContact CG1-CG1 3.72Å; V538-Y798 VanDerWaalsContact CG2-CB 3.43Å; V538-Y798 HydrophobicContact CG2-CD1 3.8Å; V538-Y798 HydrophobicContact CG2-CG 3.71Å; V538-V800 PolarHBondContact N-O 3.09Å; V538-F801 HydrophobicContact CB-CD1 3.59Å; V538-F801 HydrophobicContact CB-CE1 3.82Å; V538-F801 HydrophobicContact CB-CG 4.07Å; V538-F801 HydrophobicContact CB-CZ 4.47Å; V538-F801 HydrophobicContact CG1-CD1 3.79Å; V538-F801 HydrophobicContact CG1-CE1 3.82Å; V538-F801 HydrophobicContact CG2-CD1 3.98Å; V538-F801 HydrophobicContact CG2-CE1 3.78Å; V538-F801 HydrophobicContact CG2-CE2 4.34Å; V538-F801 HydrophobicContact CG2-CG 4.36Å; V538-F801 HydrophobicContact CG2-CZ 3.96Å; V538-F801 CarbonylContact O-C 3.59Å; V538-F801 WeakPolarHBondContact O-CA 3.33Å; V538-G802 PolarHBondContact O-N 2.89Å
539W98.1Very high87.9Confident1 Ų130.5 Ų30.50%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-84.8122.3171.5-65.2158.5000111.2P537 F541 L612 V617 P619 A621 I622 I623 G802 L804 F844 V848P537-W539 HydrophobicContact CB-CE3 4.16Å; P537-W539 HydrophobicContact CB-CH2 4.13Å; P537-W539 HydrophobicContact CB-CZ3 3.73Å; P537-W539 HydrophobicContact CG-CD2 4.38Å; P537-W539 HydrophobicContact CG-CE3 3.96Å; P537-W539 HydrophobicContact CG-CH2 3.3Å; P537-W539 HydrophobicContact CG-CZ2 3.75Å; P537-W539 HydrophobicContact CG-CZ3 3.41Å; P537-W539 VanDerWaalsContact CG-CZ3 3.41Å; W539-F541 HydrophobicContact CB-CD2 4.41Å; W539-F541 HydrophobicContact CB-CE2 3.62Å; W539-F541 HydrophobicContact CB-CZ 3.92Å; W539-L612 HydrophobicContact CH2-CD1 3.95Å; W539-L612 HydrophobicContact CZ2-CB 4.14Å; W539-L612 HydrophobicContact CZ2-CD1 3.71Å; W539-V617 HydrophobicContact CH2-CG1 3.69Å; W539-V617 HydrophobicContact CZ2-CB 4.43Å; W539-V617 HydrophobicContact CZ2-CG1 3.57Å; W539-P619 HydrophobicContact CD2-CB 4.37Å; W539-P619 HydrophobicContact CG-CB 3.92Å; W539-P619 HydrophobicContact CG-CG 4.49Å; W539-A621 PolarHBondContact N-O 2.87Å; W539-I622 HydrophobicContact CB-CG1 4.32Å; W539-I622 WeakPolarHBondContact O-CA 3.42Å; W539-I623 PolarHBondContact O-N 2.71Å; W539-G802 WeakPolarHBondContact CA-O 3.37Å; W539-L804 HydrophobicContact CB-CD1 4.03Å; W539-L804 HydrophobicContact CB-CG 4.23Å; W539-L804 HydrophobicContact CD2-CD1 3.85Å; W539-L804 HydrophobicContact CD2-CD2 4.29Å; W539-L804 HydrophobicContact CD2-CG 4.11Å; W539-L804 HydrophobicContact CE3-CD2 4.17Å; W539-L804 HydrophobicContact CE3-CG 4.32Å; W539-L804 HydrophobicContact CG-CD1 3.6Å; W539-L804 HydrophobicContact CG-CG 4.09Å; W539-L804 HydrophobicContact CZ3-CD2 4.44Å; W539-F844 AromaticContact CH2-CE1 3.72Å; W539-F844 HydrophobicContact CH2-CE1 3.72Å; W539-F844 HydrophobicContact CH2-CZ 4.34Å; W539-F844 AromaticContact CZ3-CE1 3.77Å; W539-F844 HydrophobicContact CZ3-CE1 3.77Å; W539-F844 AromaticContact CZ3-CZ 3.93Å; W539-F844 HydrophobicContact CZ3-CZ 3.93Å; W539-V848 HydrophobicContact CH2-CG2 4.02Å; W539-V848 HydrophobicContact CZ3-CG2 4.26Å
540V98.3Very high88Confident3 Ų330.9 Ų30.92%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-102.4120.3176.7176.80000109I623 F786 F801 G802 E803 L804 L810 V814V540-I623 CarbonylContact C-O 3.12Å; V540-I623 WeakPolarHBondContact CA-O 3.45Å; V540-F786 HydrophobicContact CG1-CE2 3.92Å; V540-F786 HydrophobicContact CG1-CZ 3.79Å; V540-F801 HydrophobicContact CG2-CB 4.43Å; V540-F801 HydrophobicContact CG2-CD1 4.04Å; V540-G802 PolarHBondContact N-O 2.74Å; V540-E803 HydrophobicContact CB-CB 4.47Å; V540-E803 HydrophobicContact CB-CG 4.47Å; V540-E803 HydrophobicContact CG1-CG 4.3Å; V540-E803 WeakPolarHBondContact O-CA 3.44Å; V540-L804 PolarHBondContact O-N 2.77Å; V540-L810 HydrophobicContact CG1-CB 4.17Å; V540-L810 HydrophobicContact CG1-CD1 3.95Å; V540-V814 HydrophobicContact CG2-CG2 4.47Å
541F97.8Very high88.3Confident0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-106.7105.5179.4-64.8-81000110.3W539 Q605 A609 I622 I623 G624 H625 G628 A631 A632 V635 L804W539-F541 HydrophobicContact CB-CD2 4.41Å; W539-F541 HydrophobicContact CB-CE2 3.62Å; W539-F541 HydrophobicContact CB-CZ 3.92Å; F541-Q605 HydrophobicContact CD1-CB 3.83Å; F541-Q605 HydrophobicContact CD1-CG 4.12Å; F541-Q605 HydrophobicContact CE1-CB 4.13Å; F541-A609 HydrophobicContact CZ-CB 4.33Å; F541-I622 HydrophobicContact CD2-CG2 4.01Å; F541-I622 HydrophobicContact CE2-CG1 4.41Å; F541-I622 HydrophobicContact CE2-CG2 3.87Å; F541-I623 PolarHBondContact N-O 2.87Å; F541-G624 CarbonylContact O-C 3.58Å; F541-H625 PolarHBondContact O-N 2.83Å; F541-G628 VanDerWaalsContact CB-O 3.31Å; F541-G628 WeakPolarHBondContact CB-O 3.29Å; F541-A631 HydrophobicContact CD1-CB 3.99Å; F541-A631 HydrophobicContact CE1-CB 4.47Å; F541-A631 HydrophobicContact CG-CB 4.39Å; F541-A632 HydrophobicContact CB-CB 4.3Å; F541-A632 HydrophobicContact CD2-CB 3.58Å; F541-A632 HydrophobicContact CE2-CB 4.24Å; F541-A632 HydrophobicContact CG-CB 4.16Å; F541-V635 HydrophobicContact CE1-CG2 4.25Å; F541-V635 HydrophobicContact CE2-CB 4.34Å; F541-V635 HydrophobicContact CZ-CB 3.94Å; F541-V635 HydrophobicContact CZ-CG1 4.04Å; F541-V635 HydrophobicContact CZ-CG2 3.79Å; F541-L804 HydrophobicContact CD1-CB 4.15Å; F541-L804 HydrophobicContact CE1-CB 3.83Å; F541-L804 HydrophobicContact CE1-CD1 3.89Å; F541-L804 HydrophobicContact CE1-CG 4.34Å; F541-L804 HydrophobicContact CZ-CB 4.49Å; F541-L804 HydrophobicContact CZ-CD1 3.86Å
542S92.6Very high88.9Confident0 Ų029.1 Ų29.10%016%0.161CC..  trans-75.7168-174.374.30000114.8Q605 E803 A805S542-Q605 VanDerWaalsContact N-NE2 3.18Å; S542-Q605 PolarHBondContact O-NE2 3.13Å; S542-E803 WeakPolarHBondContact CB-OE1 3.31Å; S542-E803 PolarHBondContact OG-OE1 3.37Å; S542-A805 WeakPolarHBondContact OG-CB 3.37Å
543G86.8Confident90Very high5 Ų527.9 Ų27.95%0.05216%0.16CC..  trans-78.4-160.517500000114.8
544Q87.3Confident91.2Very high38 Ų3827.1 Ų27.118%0.17815%0.153CC..THydrogen-bonded Turntrans-74.8140.9176.8177.4164.1-32.700111.6V597 I601 L627Q544-V597 HydrophobicContact CG-CG1 3.74Å; Q544-I601 HydrophobicContact CB-CD1 4.49Å; Q544-L627 HydrophobicContact CB-CD2 3.72Å; Q544-L627 VanDerWaalsContact N-CD2 3.35Å
545G88.2Confident92.4Very high35 Ų3522.5 Ų22.536%0.36113%0.128SC..THydrogen-bonded Turntrans128.4-16.5176.700000114.5Q547G545-Q547 VanDerWaalsContact C-N 3.28Å; G545-Q547 PolarHBondContact O-N 2.89Å
546S92.4Very high92.8Very high0 Ų020.2 Ų20.20%012%0.123CC..  trans-73.5-16.7-176.949.60000113.3H807S546-H807 WeakPolarHBondContact CB-O 3.38Å; S546-H807 WeakPolarHBondContact O-CB 3.37Å
547Q93.1Very high92.7Very high26 Ų2625.6 Ų25.612%0.12115%0.152CC..  trans-67.7152.9-173.472.1-79.75.800114.7G545 M551 T590 V591 V597 I601 R833G545-Q547 VanDerWaalsContact C-N 3.28Å; G545-Q547 PolarHBondContact O-N 2.89Å; Q547-M551 VanDerWaalsContact CA-SD 3.53Å; Q547-M551 HydrophobicContact CB-CE 4.08Å; Q547-M551 HydrophobicContact CB-SD 3.7Å; Q547-T590 HydrophobicContact CB-CG2 4.44Å; Q547-T590 HydrophobicContact CG-CG2 3.61Å; Q547-V591 HydrophobicContact CB-CG1 4.03Å; Q547-V591 HydrophobicContact CG-CG1 3.96Å; Q547-V597 HydrophobicContact CG-CG1 4.34Å; Q547-I601 HydrophobicContact CB-CG1 4.48Å; Q547-R833 PolarHBondContact O-NH2 2.58Å
548W94.1Very high92.3Very high42 Ų4227.3 Ų27.316%0.15917%0.167CC..  trans-156.7166.8176.853.5-85.7000112.6G550 M551 P806 R833W548-G550 PolarHBondContact O-N 3.49Å; W548-M551 HydrophobicContact CD2-CB 3.59Å; W548-M551 VanDerWaalsContact CE2-CB 3.49Å; W548-M551 HydrophobicContact CE3-CB 4.13Å; W548-M551 HydrophobicContact CG-CB 3.86Å; W548-M551 HydrophobicContact CH2-CB 4.46Å; W548-M551 HydrophobicContact CZ2-CB 3.97Å; W548-M551 PolarHBondContact N-SD 3.27Å; W548-M551 WeakPolarHBondContact O-CB 3.12Å; W548-M551 PolarHBondContact O-N 2.82Å; W548-P806 PolarHBondContact NE1-O 3.19Å; W548-R833 HydrophobicContact CB-CG 4Å; W548-R833 VanDerWaalsContact CB-NE 3.34Å; W548-R833 HydrophobicContact CD2-CB 4.14Å; W548-R833 HydrophobicContact CD2-CG 3.96Å; W548-R833 HydrophobicContact CE3-CG 4.37Å; W548-R833 HydrophobicContact CG-CB 4Å; W548-R833 HydrophobicContact CG-CG 3.8Å
549P92.8Very high92.1Very high58 Ų5827.4 Ų27.438%0.37717%0.167SC..THydrogen-bonded Turntrans-64.9128.7-175.5-16.929.8000111.7M551 A587 T590P549-M551 PolarHBondContact O-N 3.43Å; P549-A587 CarbonylContact C-O 3.54Å; P549-T590 WeakPolarHBondContact CD-OG1 3.35Å; P549-T590 WeakPolarHBondContact CG-OG1 3.36Å
550G91.3Very high91.8Very high17 Ų1732 Ų3218%0.17520%0.197CC..THydrogen-bonded Turntrans6912.8177.500000115.4W548 G552 T553 M585 A587W548-G550 PolarHBondContact O-N 3.49Å; G550-G552 PolarHBondContact O-N 2.77Å; G550-T553 WeakPolarHBondContact CA-OG1 3.24Å; G550-T553 VanDerWaalsContact O-CB 3.3Å; G550-T553 WeakPolarHBondContact O-CB 3.38Å; G550-T553 PolarHBondContact O-N 3.39Å; G550-T553 PolarHBondContact O-OG1 3.48Å; G550-M585 CarbonylContact C-O 3.53Å; G550-M585 WeakPolarHBondContact CA-O 3.2Å; G550-A587 PolarHBondContact N-O 3.14Å
551M93.2Very high91.7Very high4 Ų434.3 Ų34.32%0.0221%0.211CC..THydrogen-bonded Turntrans-53-28.9-171.567.1-172.8-175.200116.1Q547 W548 P549 M585 V591 T600 V604 P806 M831Q547-M551 VanDerWaalsContact CA-SD 3.53Å; Q547-M551 HydrophobicContact CB-CE 4.08Å; Q547-M551 HydrophobicContact CB-SD 3.7Å; W548-M551 HydrophobicContact CD2-CB 3.59Å; W548-M551 VanDerWaalsContact CE2-CB 3.49Å; W548-M551 HydrophobicContact CE3-CB 4.13Å; W548-M551 HydrophobicContact CG-CB 3.86Å; W548-M551 HydrophobicContact CH2-CB 4.46Å; W548-M551 HydrophobicContact CZ2-CB 3.97Å; W548-M551 PolarHBondContact N-SD 3.27Å; W548-M551 WeakPolarHBondContact O-CB 3.12Å; W548-M551 PolarHBondContact O-N 2.82Å; P549-M551 PolarHBondContact O-N 3.43Å; M551-M585 HydrophobicContact CE-CB 4.08Å; M551-M585 HydrophobicContact CG-CB 4.36Å; M551-M585 PolarHBondContact N-O 2.93Å; M551-M585 VanDerWaalsContact N-O 3.09Å; M551-V591 HydrophobicContact CE-CG1 4.47Å; M551-T600 HydrophobicContact CE-CG2 3.5Å; M551-V604 HydrophobicContact CE-CG2 4.19Å; M551-P806 HydrophobicContact CB-CB 4.22Å; M551-P806 HydrophobicContact CE-CG 4.25Å; M551-P806 HydrophobicContact CG-CB 4.3Å; M551-P806 HydrophobicContact SD-CB 3.62Å; M551-P806 HydrophobicContact SD-CG 3.66Å; M551-M831 WeakPolarHBondContact O-CE 3.32Å
552G92.1Very high91.6Very high0 Ų034.3 Ų34.30%021%0.211CC..THydrogen-bonded Turntrans-88-12178.400000114.7G550 E554 L555 L556 M585G550-G552 PolarHBondContact O-N 2.77Å; G552-E554 PolarHBondContact O-N 3.08Å; G552-L555 PolarHBondContact O-N 3.08Å; G552-L556 WeakPolarHBondContact O-CB 3.25Å; G552-L556 VanDerWaalsContact O-CG 3.29Å; G552-L556 WeakPolarHBondContact O-CG 3.49Å; G552-L556 PolarHBondContact O-N 2.82Å; G552-M585 PolarHBondContact N-O 3.23Å
553T91.3Very high91.8Very high63 Ų6335.6 Ų35.639%0.38722%0.222SC..THydrogen-bonded Turntrans-63-43.5-162-45.50000113.2G550G550-T553 WeakPolarHBondContact CA-OG1 3.24Å; G550-T553 VanDerWaalsContact O-CB 3.3Å; G550-T553 WeakPolarHBondContact O-CB 3.38Å; G550-T553 PolarHBondContact O-N 3.39Å; G550-T553 PolarHBondContact O-OG1 3.48Å
554E89.8Confident92.3Very high79 Ų7938.3 Ų38.337%0.36924%0.243SC..THydrogen-bonded Turntrans-68.5-44.4-179.4-64.2-171.4-179.900111.2G552 L556 V557 A558 L837G552-E554 PolarHBondContact O-N 3.08Å; E554-L556 PolarHBondContact O-N 3.16Å; E554-V557 PolarHBondContact O-N 2.87Å; E554-V557 VanDerWaalsContact O-N 3.13Å; E554-A558 WeakPolarHBondContact O-CB 3.37Å; E554-A558 PolarHBondContact O-N 3.05Å; E554-L837 PolarHBondContact OE2-N 3.03Å
555L92.9Very high92.8Very high0 Ų037.6 Ų37.60%024%0.242CC..Hα-helixtrans-69.4-32.3179.2-63.8-175.4000113.3G552 V557 E559 F562 L608 M831 L837 L841G552-L555 PolarHBondContact O-N 3.08Å; L555-V557 PolarHBondContact O-N 3.34Å; L555-E559 HydrophobicContact CD2-CG 3.93Å; L555-E559 WeakPolarHBondContact O-CB 3.34Å; L555-E559 PolarHBondContact O-N 3.08Å; L555-F562 HydrophobicContact CB-CD1 3.67Å; L555-F562 HydrophobicContact CB-CD2 4.16Å; L555-F562 HydrophobicContact CB-CE1 3.76Å; L555-F562 HydrophobicContact CB-CE2 4.24Å; L555-F562 HydrophobicContact CB-CG 3.9Å; L555-F562 HydrophobicContact CB-CZ 4.05Å; L555-F562 HydrophobicContact CD1-CD2 3.93Å; L555-F562 HydrophobicContact CD1-CE2 3.7Å; L555-F562 HydrophobicContact CD1-CG 4.49Å; L555-F562 HydrophobicContact CD1-CZ 4.07Å; L555-L608 HydrophobicContact CD1-CD2 3.62Å; L555-M831 HydrophobicContact CD1-CE 3.49Å; L555-M831 VanDerWaalsContact CD1-CE 3.49Å; L555-M831 HydrophobicContact CD1-CG 4.22Å; L555-M831 HydrophobicContact CD1-SD 3.6Å; L555-M831 VanDerWaalsContact CD1-SD 3.6Å; L555-M831 HydrophobicContact CG-CE 4.02Å; L555-L837 HydrophobicContact CD2-CD1 3.9Å; L555-L837 HydrophobicContact CG-CD1 4.4Å; L555-L841 HydrophobicContact CD1-CD2 4.4Å; L555-L841 HydrophobicContact CD2-CD2 4.13Å; L555-L841 HydrophobicContact CD2-CG 4.08Å
556L92.8Very high93.3Very high39 Ų3936 Ų3620%0.20423%0.225CC..Hα-helixtrans-63.8-18172.4-73.7173.4000113.3G552 E554 F562 A563 V566 T582 M585 S586G552-L556 WeakPolarHBondContact O-CB 3.25Å; G552-L556 VanDerWaalsContact O-CG 3.29Å; G552-L556 WeakPolarHBondContact O-CG 3.49Å; G552-L556 PolarHBondContact O-N 2.82Å; E554-L556 PolarHBondContact O-N 3.16Å; L556-F562 HydrophobicContact CD2-CD1 4.09Å; L556-F562 HydrophobicContact CD2-CE1 4Å; L556-F562 HydrophobicContact CG-CD1 4.42Å; L556-F562 HydrophobicContact CG-CE1 4.1Å; L556-A563 HydrophobicContact CD2-CB 4.27Å; L556-V566 HydrophobicContact CD2-CB 4.18Å; L556-V566 HydrophobicContact CD2-CG1 4.25Å; L556-V566 HydrophobicContact CD2-CG2 4.27Å; L556-T582 HydrophobicContact CD1-CG2 3.99Å; L556-M585 HydrophobicContact CD1-CG 4.04Å; L556-M585 HydrophobicContact CD1-SD 3.97Å; L556-M585 HydrophobicContact CD2-SD 4.34Å; L556-M585 HydrophobicContact CG-SD 4.27Å; L556-S586 WeakPolarHBondContact CD1-OG 3.13Å
557V89.3Confident93.5Very high126 Ų12638.8 Ų38.876%0.76425%0.248SC*.Hα-helixtrans-102.5-43.8176.51770000111.8E554 L555E554-V557 PolarHBondContact O-N 2.87Å; E554-V557 VanDerWaalsContact O-N 3.13Å; L555-V557 PolarHBondContact O-N 3.34Å
558A87.2Confident93.6Very high38 Ų3840.3 Ų40.331%0.31427%0.266SS..Hα-helixtrans-86.6-22.2-172.700000114.5E554E554-A558 WeakPolarHBondContact O-CB 3.37Å; E554-A558 PolarHBondContact O-N 3.05Å
559E92.3Very high93.8Very high1 Ų138.3 Ų38.31%0.00526%0.258CS..  trans-12293.7-174.6-71.3-61.1164.700112.3L555 V561 F562 A563 Y615 G840 L841 R842L555-E559 HydrophobicContact CD2-CG 3.93Å; L555-E559 WeakPolarHBondContact O-CB 3.34Å; L555-E559 PolarHBondContact O-N 3.08Å; E559-V561 PolarHBondContact O-N 2.87Å; E559-V561 VanDerWaalsContact O-N 3.15Å; E559-F562 HydrophobicContact CB-CB 3.6Å; E559-F562 WeakPolarHBondContact O-CB 3.43Å; E559-F562 PolarHBondContact O-N 2.86Å; E559-A563 PolarHBondContact O-N 3.11Å; E559-Y615 PolarHBondContact OE1-OH 2.84Å; E559-Y615 VanDerWaalsContact OE1-OH 3.06Å; E559-Y615 VanDerWaalsContact OE2-CE2 3.22Å; E559-Y615 WeakPolarHBondContact OE2-CE2 3.41Å; E559-Y615 PolarHBondContact OE2-OH 3.38Å; E559-G840 WeakPolarHBondContact OE1-CA 3.29Å; E559-L841 HydrophobicContact CG-CD1 4.31Å; E559-L841 HydrophobicContact CG-CG 4.14Å; E559-L841 PolarHBondContact OE1-N 3.49Å; E559-R842 IonicContact OE1-NH1 3.98Å; E559-R842 PolarHBondContact OE1-NH1 3Å
560P92.8Very high94Very high97 Ų9737.4 Ų37.463%0.6325%0.249SC*.Hα-helixtrans-56.5-34.2-177.5-2835.7000114.3A564P560-A564 VanDerWaalsContact O-CB 3.27Å; P560-A564 WeakPolarHBondContact O-CB 3.42Å; P560-A564 PolarHBondContact O-N 3.14Å
561V95.6Very high94.2Very high52 Ų5240.7 Ų40.732%0.31527%0.267SS..Hα-helixtrans-74.8-35178.7179.60000111.5E559 T565 A610 A611E559-V561 PolarHBondContact O-N 2.87Å; E559-V561 VanDerWaalsContact O-N 3.15Å; V561-T565 WeakPolarHBondContact O-CB 3.43Å; V561-T565 PolarHBondContact O-N 3.22Å; V561-T565 PolarHBondContact O-OG1 3.16Å; V561-A610 HydrophobicContact CG1-CB 4.23Å; V561-A611 HydrophobicContact CB-CB 4.38Å
562F96.4Very high94.3Very high0 Ų041.3 Ų41.30%027%0.271CS..Hα-helixtrans-62-51.9171-178.6-84000109.8L555 L556 E559 A564 T565 V566 M585 V604 A607 L608 A611L555-F562 HydrophobicContact CB-CD1 3.67Å; L555-F562 HydrophobicContact CB-CD2 4.16Å; L555-F562 HydrophobicContact CB-CE1 3.76Å; L555-F562 HydrophobicContact CB-CE2 4.24Å; L555-F562 HydrophobicContact CB-CG 3.9Å; L555-F562 HydrophobicContact CB-CZ 4.05Å; L555-F562 HydrophobicContact CD1-CD2 3.93Å; L555-F562 HydrophobicContact CD1-CE2 3.7Å; L555-F562 HydrophobicContact CD1-CG 4.49Å; L555-F562 HydrophobicContact CD1-CZ 4.07Å; L556-F562 HydrophobicContact CD2-CD1 4.09Å; L556-F562 HydrophobicContact CD2-CE1 4Å; L556-F562 HydrophobicContact CG-CD1 4.42Å; L556-F562 HydrophobicContact CG-CE1 4.1Å; E559-F562 HydrophobicContact CB-CB 3.6Å; E559-F562 WeakPolarHBondContact O-CB 3.43Å; E559-F562 PolarHBondContact O-N 2.86Å; F562-A564 PolarHBondContact O-N 2.98Å; F562-T565 PolarHBondContact O-N 3.14Å; F562-T565 VanDerWaalsContact O-N 3.16Å; F562-V566 HydrophobicContact CD1-CG2 4.13Å; F562-V566 HydrophobicContact CE1-CG2 3.84Å; F562-V566 HydrophobicContact CZ-CG2 4.27Å; F562-V566 WeakPolarHBondContact O-CG2 3.5Å; F562-V566 PolarHBondContact O-N 2.76Å; F562-M585 HydrophobicContact CE1-SD 4.24Å; F562-M585 HydrophobicContact CZ-SD 4.47Å; F562-V604 HydrophobicContact CE2-CG1 4.05Å; F562-V604 HydrophobicContact CZ-CB 4.42Å; F562-V604 HydrophobicContact CZ-CG1 4.1Å; F562-V604 HydrophobicContact CZ-CG2 4.28Å; F562-A607 HydrophobicContact CB-CB 4.47Å; F562-A607 HydrophobicContact CD1-CB 4.39Å; F562-A607 VanDerWaalsContact CD2-C 3.49Å; F562-A607 HydrophobicContact CD2-CB 3.4Å; F562-A607 VanDerWaalsContact CD2-CB 3.4Å; F562-A607 HydrophobicContact CE2-CB 3.57Å; F562-A607 HydrophobicContact CG-CB 3.84Å; F562-A607 HydrophobicContact CZ-CB 4.14Å; F562-L608 HydrophobicContact CD2-CD2 4.4Å; F562-L608 HydrophobicContact CE2-CD2 4.23Å; F562-L608 HydrophobicContact CE2-CG 4.13Å; F562-A611 HydrophobicContact CB-CB 4.29Å
563A96.5Very high94.5Very high27 Ų2741.3 Ų41.322%0.22327%0.271CS..Hα-helixtrans-59.1-44.917900000112.9L556 E559 T565 V566 A567L556-A563 HydrophobicContact CD2-CB 4.27Å; E559-A563 PolarHBondContact O-N 3.11Å; A563-T565 VanDerWaalsContact C-N 3.33Å; A563-T565 PolarHBondContact O-N 3.44Å; A563-V566 PolarHBondContact O-N 2.9Å; A563-A567 WeakPolarHBondContact O-CB 3.46Å; A563-A567 PolarHBondContact O-N 2.93Å
564A97.3Very high94.6Very high62 Ų6240.5 Ų40.551%0.51227%0.27SS..Hα-helixtrans-63.6-37.317600000112.6P560 F562 A567 A568P560-A564 VanDerWaalsContact O-CB 3.27Å; P560-A564 WeakPolarHBondContact O-CB 3.42Å; P560-A564 PolarHBondContact O-N 3.14Å; F562-A564 PolarHBondContact O-N 2.98Å; A564-A567 PolarHBondContact O-N 2.82Å; A564-A568 PolarHBondContact O-N 3.44Å
565T97.6Very high94.8Very high23 Ų2343.1 Ų43.114%0.14128%0.277CS..Hα-helixtrans-69.3-44.3178-55.30000111V561 F562 A563 A567 A568 M569 V606 A607 A610V561-T565 WeakPolarHBondContact O-CB 3.43Å; V561-T565 PolarHBondContact O-N 3.22Å; V561-T565 PolarHBondContact O-OG1 3.16Å; F562-T565 PolarHBondContact O-N 3.14Å; F562-T565 VanDerWaalsContact O-N 3.16Å; A563-T565 VanDerWaalsContact C-N 3.33Å; A563-T565 PolarHBondContact O-N 3.44Å; T565-A567 PolarHBondContact O-N 3.25Å; T565-A568 PolarHBondContact O-N 3.01Å; T565-M569 HydrophobicContact CG2-CE 3.94Å; T565-M569 WeakPolarHBondContact O-CE 3.46Å; T565-M569 WeakPolarHBondContact O-CG 3.45Å; T565-M569 PolarHBondContact O-N 2.94Å; T565-V606 HydrophobicContact CG2-CG1 4.22Å; T565-A607 HydrophobicContact CG2-CB 4.08Å; T565-A610 HydrophobicContact CG2-CB 4.03Å; T565-A610 WeakPolarHBondContact OG1-CB 3.34Å
566V97.8Very high94.8Very high1 Ų144.1 Ų44.11%0.00628%0.282CS..Hα-helixtrans-59.3-45.8172.8175.10000111.1L556 F562 A563 A568 M569 E570 V581 M585 A607L556-V566 HydrophobicContact CD2-CB 4.18Å; L556-V566 HydrophobicContact CD2-CG1 4.25Å; L556-V566 HydrophobicContact CD2-CG2 4.27Å; F562-V566 HydrophobicContact CD1-CG2 4.13Å; F562-V566 HydrophobicContact CE1-CG2 3.84Å; F562-V566 HydrophobicContact CZ-CG2 4.27Å; F562-V566 WeakPolarHBondContact O-CG2 3.5Å; F562-V566 PolarHBondContact O-N 2.76Å; A563-V566 PolarHBondContact O-N 2.9Å; V566-A568 PolarHBondContact O-N 3.28Å; V566-M569 HydrophobicContact CG2-CE 4.45Å; V566-M569 PolarHBondContact O-N 2.82Å; V566-E570 PolarHBondContact O-N 2.78Å; V566-V581 HydrophobicContact CG1-CG1 3.99Å; V566-M585 HydrophobicContact CB-CE 4.46Å; V566-M585 HydrophobicContact CG1-CE 3.62Å; V566-M585 HydrophobicContact CG1-SD 4.09Å; V566-M585 HydrophobicContact CG2-CE 3.89Å; V566-M585 HydrophobicContact CG2-SD 4.1Å; V566-A607 HydrophobicContact CG2-CB 3.76Å
567A96.6Very high94.7Very high60 Ų6043.1 Ų43.150%0.49628%0.278SS..Hα-helixtrans-62.7-26.6177.900000113.8A563 A564 T565 P571A563-A567 WeakPolarHBondContact O-CB 3.46Å; A563-A567 PolarHBondContact O-N 2.93Å; A564-A567 PolarHBondContact O-N 2.82Å; T565-A567 PolarHBondContact O-N 3.25Å; A567-P571 WeakPolarHBondContact O-CD 3.44Å
568A96Very high94.8Very high58 Ų5840 Ų4048%0.47927%0.271SS..Hα-helixtrans-75.4-29.9173.100000113.1A564 T565 V566A564-A568 PolarHBondContact O-N 3.44Å; T565-A568 PolarHBondContact O-N 3.01Å; V566-A568 PolarHBondContact O-N 3.28Å
569M98Very high95.2Very high0 Ų039.3 Ų39.30%026%0.261CS..Hα-helixtrans-84.4-33.5178.7-62.1-172.9-82.600113T565 V566 V572 I573 F602 A603 V606 A607 L641 L645T565-M569 HydrophobicContact CG2-CE 3.94Å; T565-M569 WeakPolarHBondContact O-CE 3.46Å; T565-M569 WeakPolarHBondContact O-CG 3.45Å; T565-M569 PolarHBondContact O-N 2.94Å; V566-M569 HydrophobicContact CG2-CE 4.45Å; V566-M569 PolarHBondContact O-N 2.82Å; M569-V572 PolarHBondContact O-N 3.2Å; M569-I573 HydrophobicContact CB-CD1 4.08Å; M569-I573 PolarHBondContact O-N 2.57Å; M569-F602 HydrophobicContact SD-CD1 4.25Å; M569-F602 HydrophobicContact SD-CE1 3.93Å; M569-A603 HydrophobicContact CE-CB 3.8Å; M569-A603 WeakPolarHBondContact CE-O 3.44Å; M569-A603 HydrophobicContact SD-CB 4.26Å; M569-V606 HydrophobicContact CE-CB 4.4Å; M569-V606 HydrophobicContact SD-CB 4.27Å; M569-V606 HydrophobicContact SD-CG1 4.4Å; M569-A607 HydrophobicContact CE-CB 4.35Å; M569-L641 HydrophobicContact CG-CD1 3.91Å; M569-L641 HydrophobicContact CG-CD2 4.08Å; M569-L641 HydrophobicContact CG-CG 4.24Å; M569-L641 HydrophobicContact SD-CD1 3.83Å; M569-L645 HydrophobicContact CB-CD1 3.92Å; M569-L645 HydrophobicContact CB-CD2 4.33Å; M569-L645 HydrophobicContact CG-CD1 3.91Å; M569-L645 HydrophobicContact CG-CD2 4.47Å; M569-L645 HydrophobicContact SD-CD2 4.34Å
570E97.6Very high95.5Very high39 Ų3940.3 Ų40.318%0.18227%0.269CS..Hα-helixtrans-44.5-50.1-177.4175.273.4-148.200114.2V566 V572 I573 A574 S580 V581 T582V566-E570 PolarHBondContact O-N 2.78Å; E570-V572 VanDerWaalsContact C-N 3.28Å; E570-V572 PolarHBondContact O-N 3.07Å; E570-I573 PolarHBondContact O-N 3.01Å; E570-A574 VanDerWaalsContact O-CB 3.28Å; E570-A574 WeakPolarHBondContact O-CB 3.12Å; E570-A574 PolarHBondContact O-N 3.25Å; E570-S580 VanDerWaalsContact CD-OG 3.25Å; E570-S580 WeakPolarHBondContact OE1-CA 3.26Å; E570-S580 WeakPolarHBondContact OE1-CB 3.48Å; E570-S580 PolarHBondContact OE1-OG 3.25Å; E570-S580 PolarHBondContact OE2-OG 2.69Å; E570-V581 HydrophobicContact CB-CG1 4.44Å; E570-V581 WeakPolarHBondContact OE2-CG1 3.43Å; E570-V581 PolarHBondContact OE2-N 2.86Å; E570-T582 VanDerWaalsContact OE2-CB 3.31Å; E570-T582 WeakPolarHBondContact OE2-CB 3.4Å; E570-T582 PolarHBondContact OE2-N 3.23Å; E570-T582 PolarHBondContact OE2-OG1 2.82Å
571P96Very high95.7Very high85 Ų8535.7 Ų35.755%0.55224%0.239SC*.Hα-helixtrans-70.4-22.9-177.7-17.232.7000113.9A567 R575A567-P571 WeakPolarHBondContact O-CD 3.44Å; P571-R575 PolarHBondContact O-N 3.37Å
572V94.3Very high95.7Very high18 Ų1835.4 Ų35.411%0.10924%0.237CC..Hα-helixtrans-82.5-45.11781790000109.6M569 E570 A574 R575 E576 L645M569-V572 PolarHBondContact O-N 3.2Å; E570-V572 VanDerWaalsContact C-N 3.28Å; E570-V572 PolarHBondContact O-N 3.07Å; V572-A574 VanDerWaalsContact C-N 3.33Å; V572-A574 PolarHBondContact O-N 3.33Å; V572-R575 WeakPolarHBondContact O-CB 3.46Å; V572-R575 PolarHBondContact O-N 2.67Å; V572-E576 HydrophobicContact CG1-CG 4.13Å; V572-E576 WeakPolarHBondContact O-CG 3.46Å; V572-E576 PolarHBondContact O-N 2.75Å; V572-L645 HydrophobicContact CB-CD1 3.83Å; V572-L645 HydrophobicContact CG1-CB 3.79Å; V572-L645 HydrophobicContact CG1-CD1 3.83Å; V572-L645 HydrophobicContact CG1-CG 4.44Å; V572-L645 HydrophobicContact CG2-CD1 4.38Å
573I96.5Very high95.6Very high0 Ų042 Ų420%027%0.267CS..Hα-helixtrans-62.2-42175.8-63.9169.2000110.8M569 E570 R575 E576 S577 G578 F579 V581 P599 A603 L645M569-I573 HydrophobicContact CB-CD1 4.08Å; M569-I573 PolarHBondContact O-N 2.57Å; E570-I573 PolarHBondContact O-N 3.01Å; I573-R575 PolarHBondContact O-N 3.46Å; I573-E576 PolarHBondContact O-N 3Å; I573-S577 PolarHBondContact O-N 3.14Å; I573-G578 PolarHBondContact O-N 3.46Å; I573-F579 HydrophobicContact CG2-CD1 4.19Å; I573-F579 HydrophobicContact CG2-CE1 3.58Å; I573-F579 HydrophobicContact CG2-CE2 4.43Å; I573-F579 HydrophobicContact CG2-CZ 3.72Å; I573-V581 HydrophobicContact CD1-CB 3.75Å; I573-V581 HydrophobicContact CD1-CG1 3.81Å; I573-V581 HydrophobicContact CD1-CG2 3.82Å; I573-V581 HydrophobicContact CG2-CB 4.19Å; I573-P599 HydrophobicContact CD1-CB 4.37Å; I573-P599 HydrophobicContact CG1-CB 4.44Å; I573-P599 HydrophobicContact CG2-CB 4.12Å; I573-A603 HydrophobicContact CD1-CB 4.22Å; I573-L645 HydrophobicContact CD1-CD2 3.77Å; I573-L645 HydrophobicContact CG1-CD2 3.62Å
574A94.4Very high95.5Very high45 Ų4540.8 Ų40.837%0.37226%0.258SS..Hα-helixtrans-60.5-26.8173.900000113.4E570 V572 G578 F579E570-A574 VanDerWaalsContact O-CB 3.28Å; E570-A574 WeakPolarHBondContact O-CB 3.12Å; E570-A574 PolarHBondContact O-N 3.25Å; V572-A574 VanDerWaalsContact C-N 3.33Å; V572-A574 PolarHBondContact O-N 3.33Å; A574-G578 VanDerWaalsContact O-CA 3.29Å; A574-G578 WeakPolarHBondContact O-CA 3.35Å; A574-G578 PolarHBondContact O-N 3.34Å; A574-F579 WeakPolarHBondContact CA-O 3.29Å
575R92.7Very high95.4Very high134 Ų13437.9 Ų37.951%0.50623%0.234SC..Hα-helixtrans-86.3-45.4177-172-173.468.2-136.3-1.9113.2P571 V572 I573 H642P571-R575 PolarHBondContact O-N 3.37Å; V572-R575 WeakPolarHBondContact O-CB 3.46Å; V572-R575 PolarHBondContact O-N 2.67Å; I573-R575 PolarHBondContact O-N 3.46Å; R575-H642 PolarHBondContact NH2-NE2 2.72Å
576E92.5Very high95.2Very high22 Ų2238.8 Ų38.810%0.10324%0.241CC..Hα-helixtrans-81.3-41-174.8-54.2-64.4128.700112.2V572 I573 C649 R650 R653V572-E576 HydrophobicContact CG1-CG 4.13Å; V572-E576 WeakPolarHBondContact O-CG 3.46Å; V572-E576 PolarHBondContact O-N 2.75Å; I573-E576 PolarHBondContact O-N 3Å; E576-C649 HydrophobicContact CB-CB 3.46Å; E576-C649 VanDerWaalsContact CB-CB 3.46Å; E576-C649 HydrophobicContact CG-CB 4.37Å; E576-R650 IonicContact OE1-NH2 2.78Å; E576-R650 IonicContact OE2-CZ 2.72Å; E576-R650 VanDerWaalsContact OE2-CZ 3.28Å; E576-R650 IonicContact OE2-NE 3.96Å; E576-R650 PolarHBondContact OE2-NE 2.75Å; E576-R650 IonicContact OE2-NH2 3.17Å; E576-R650 PolarHBondContact OE2-NH2 3.22Å; E576-R653 PolarHBondContact O-NH1 3.47Å
577S92.5Very high95Very high18 Ų1840 Ų4013%0.12625%0.251CS..THydrogen-bonded Turntrans-110.2-12-178.8-73.60000115.1I573 D595 C649I573-S577 PolarHBondContact O-N 3.14Å; S577-D595 PolarHBondContact OG-O 2.68Å; S577-C649 VanDerWaalsContact OG-CB 3.3Å; S577-C649 WeakPolarHBondContact OG-CB 3.06Å
578G91.1Very high94.6Very high61 Ų6142.3 Ų42.363%0.62926%0.261SS*.SBendtrans78.721.2169.200000116.6I573 A574I573-G578 PolarHBondContact O-N 3.46Å; A574-G578 VanDerWaalsContact O-CA 3.29Å; A574-G578 WeakPolarHBondContact O-CA 3.35Å; A574-G578 PolarHBondContact O-N 3.34Å
579F95.7Very high94.3Very high22 Ų2246 Ų4610%0.09627%0.268CS..SBendtrans-139.9160.9176.678.3-77.5000111.5I573 A574 V581 A584 R596 P599 T600I573-F579 HydrophobicContact CG2-CD1 4.19Å; I573-F579 HydrophobicContact CG2-CE1 3.58Å; I573-F579 HydrophobicContact CG2-CE2 4.43Å; I573-F579 HydrophobicContact CG2-CZ 3.72Å; A574-F579 WeakPolarHBondContact CA-O 3.29Å; F579-V581 HydrophobicContact CE2-CB 4.45Å; F579-V581 HydrophobicContact CE2-CG2 4.45Å; F579-A584 HydrophobicContact CD2-CB 3.97Å; F579-A584 HydrophobicContact CE2-CB 3.62Å; F579-R596 HydrophobicContact CD1-CB 4.37Å; F579-R596 HydrophobicContact CD1-CG 3.9Å; F579-R596 HydrophobicContact CD2-CB 4.37Å; F579-R596 HydrophobicContact CD2-CG 4.31Å; F579-R596 HydrophobicContact CE1-CB 4.14Å; F579-R596 HydrophobicContact CE1-CG 4.14Å; F579-R596 HydrophobicContact CE2-CB 4.14Å; F579-R596 HydrophobicContact CG-CB 4.5Å; F579-R596 HydrophobicContact CG-CG 4.01Å; F579-R596 HydrophobicContact CZ-CB 4.03Å; F579-R596 HydrophobicContact CZ-CG 4.46Å; F579-R596 WeakPolarHBondContact CZ-O 3.46Å; F579-P599 HydrophobicContact CE1-CB 4.32Å; F579-P599 HydrophobicContact CE1-CG 4.35Å; F579-P599 HydrophobicContact CZ-CB 4.14Å; F579-T600 WeakPolarHBondContact CE2-OG1 3.48Å
580S97.5Very high94.1Very high23 Ų2349 Ų4916%0.16129%0.287CS..  trans-81.2126.5173.2175.80000111.5E570 E583 A584E570-S580 VanDerWaalsContact CD-OG 3.25Å; E570-S580 WeakPolarHBondContact OE1-CA 3.26Å; E570-S580 WeakPolarHBondContact OE1-CB 3.48Å; E570-S580 PolarHBondContact OE1-OG 3.25Å; E570-S580 PolarHBondContact OE2-OG 2.69Å; S580-E583 PolarHBondContact OG-N 3.2Å; S580-A584 WeakPolarHBondContact O-CB 3.39Å; S580-A584 PolarHBondContact O-N 2.7Å; S580-A584 VanDerWaalsContact O-N 3.16Å
581V96.8Very high93.8Very high0 Ų047.5 Ų47.50%028%0.281CS..Hα-helixtrans-77.9-33.4178.981.40000111.4V566 E570 I573 F579 A584 M585 T600 A603V566-V581 HydrophobicContact CG1-CG1 3.99Å; E570-V581 HydrophobicContact CB-CG1 4.44Å; E570-V581 WeakPolarHBondContact OE2-CG1 3.43Å; E570-V581 PolarHBondContact OE2-N 2.86Å; I573-V581 HydrophobicContact CD1-CB 3.75Å; I573-V581 HydrophobicContact CD1-CG1 3.81Å; I573-V581 HydrophobicContact CD1-CG2 3.82Å; I573-V581 HydrophobicContact CG2-CB 4.19Å; F579-V581 HydrophobicContact CE2-CB 4.45Å; F579-V581 HydrophobicContact CE2-CG2 4.45Å; V581-A584 PolarHBondContact O-N 3.09Å; V581-M585 HydrophobicContact CG1-CE 4.19Å; V581-M585 HydrophobicContact CG2-CE 4Å; V581-M585 WeakPolarHBondContact O-CG 3.44Å; V581-M585 PolarHBondContact O-N 2.52Å; V581-T600 HydrophobicContact CG2-CG2 4Å; V581-A603 HydrophobicContact CG1-CB 4.28Å; V581-A603 HydrophobicContact CG2-CB 3.67Å
582T96.2Very high93.4Very high46 Ų4647.4 Ų47.428%0.28228%0.282SS..Hα-helixtrans-64.4-44.8176.2-510000110.7L556 E570 S586L556-T582 HydrophobicContact CD1-CG2 3.99Å; E570-T582 VanDerWaalsContact OE2-CB 3.31Å; E570-T582 WeakPolarHBondContact OE2-CB 3.4Å; E570-T582 PolarHBondContact OE2-N 3.23Å; E570-T582 PolarHBondContact OE2-OG1 2.82Å; T582-S586 VanDerWaalsContact O-CB 3.28Å; T582-S586 WeakPolarHBondContact O-CB 3.38Å; T582-S586 PolarHBondContact O-N 3.02Å; T582-S586 VanDerWaalsContact O-N 3.17Å; T582-S586 PolarHBondContact O-OG 3.16Å
583E94.4Very high93.2Very high137 Ų13747.9 Ų47.964%0.6429%0.29SS*.Hα-helixtrans-61.7-43.3170.8-69.1-177.3158.400111.4S580 M585 S586 A587S580-E583 PolarHBondContact OG-N 3.2Å; E583-M585 PolarHBondContact O-N 2.95Å; E583-S586 PolarHBondContact O-N 3.12Å; E583-A587 WeakPolarHBondContact O-CB 3.47Å; E583-A587 PolarHBondContact O-N 3.4Å
584A94.3Very high92.8Very high3 Ų348.1 Ų48.13%0.02529%0.291CS..Hα-helixtrans-65.8-35.1-176.100000114.1F579 S580 V581 V591 T600F579-A584 HydrophobicContact CD2-CB 3.97Å; F579-A584 HydrophobicContact CE2-CB 3.62Å; S580-A584 WeakPolarHBondContact O-CB 3.39Å; S580-A584 PolarHBondContact O-N 2.7Å; S580-A584 VanDerWaalsContact O-N 3.16Å; V581-A584 PolarHBondContact O-N 3.09Å; A584-V591 HydrophobicContact CB-CB 4.41Å; A584-V591 HydrophobicContact CB-CG2 4.08Å; A584-T600 HydrophobicContact CB-CG2 4Å
585M94.6Very high92.7Very high0 Ų048.2 Ų48.20%029%0.286CS..Hα-helixtrans-82.9-18.6174.770.4-179.570.700113.9G550 M551 G552 L556 F562 V566 V581 E583 T600 A603 V604G550-M585 CarbonylContact C-O 3.53Å; G550-M585 WeakPolarHBondContact CA-O 3.2Å; M551-M585 HydrophobicContact CE-CB 4.08Å; M551-M585 HydrophobicContact CG-CB 4.36Å; M551-M585 PolarHBondContact N-O 2.93Å; M551-M585 VanDerWaalsContact N-O 3.09Å; G552-M585 PolarHBondContact N-O 3.23Å; L556-M585 HydrophobicContact CD1-CG 4.04Å; L556-M585 HydrophobicContact CD1-SD 3.97Å; L556-M585 HydrophobicContact CD2-SD 4.34Å; L556-M585 HydrophobicContact CG-SD 4.27Å; F562-M585 HydrophobicContact CE1-SD 4.24Å; F562-M585 HydrophobicContact CZ-SD 4.47Å; V566-M585 HydrophobicContact CB-CE 4.46Å; V566-M585 HydrophobicContact CG1-CE 3.62Å; V566-M585 HydrophobicContact CG1-SD 4.09Å; V566-M585 HydrophobicContact CG2-CE 3.89Å; V566-M585 HydrophobicContact CG2-SD 4.1Å; V581-M585 HydrophobicContact CG1-CE 4.19Å; V581-M585 HydrophobicContact CG2-CE 4Å; V581-M585 WeakPolarHBondContact O-CG 3.44Å; V581-M585 PolarHBondContact O-N 2.52Å; E583-M585 PolarHBondContact O-N 2.95Å; M585-T600 HydrophobicContact CB-CG2 3.86Å; M585-A603 HydrophobicContact CE-CB 4.06Å; M585-V604 HydrophobicContact CB-CG2 4.48Å; M585-V604 HydrophobicContact CE-CG2 4.16Å; M585-V604 HydrophobicContact SD-CG2 4.25Å
586S94.1Very high92.8Very high43 Ų4346.2 Ų46.230%0.30128%0.278SS..Hα-helixtrans-99.4-5.8179.4-46.70000113.5L556 T582 E583L556-S586 WeakPolarHBondContact CD1-OG 3.13Å; T582-S586 VanDerWaalsContact O-CB 3.28Å; T582-S586 WeakPolarHBondContact O-CB 3.38Å; T582-S586 PolarHBondContact O-N 3.02Å; T582-S586 VanDerWaalsContact O-N 3.17Å; T582-S586 PolarHBondContact O-OG 3.16Å; E583-S586 PolarHBondContact O-N 3.12Å
587A92.8Very high92.8Very high26 Ų2645.3 Ų45.322%0.21527%0.274CS..  trans-66.5139.9-17400000112.7P549 G550 E583 Q589P549-A587 CarbonylContact C-O 3.54Å; G550-A587 PolarHBondContact N-O 3.14Å; E583-A587 WeakPolarHBondContact O-CB 3.47Å; E583-A587 PolarHBondContact O-N 3.4Å; A587-Q589 PolarHBondContact O-N 2.94Å
588P88.6Confident92.9Very high109 Ų10944.7 Ų44.771%0.70827%0.269SS*.SBendtrans-737.8176.332-35.8000113.7
589Q90.8Very high93.2Very high134 Ų13441.8 Ų41.863%0.62624%0.239SC*.SBendtrans-125.3147.5166.6-55.28610.300109A587 V591A587-Q589 PolarHBondContact O-N 2.94Å; Q589-V591 PolarHBondContact O-N 3.28Å
590T91.8Very high93.3Very high63 Ų6340.7 Ų40.739%0.38724%0.235SC..  trans-57.4130.9173.7-48.20000110.6Q547 P549 S592Q547-T590 HydrophobicContact CB-CG2 4.44Å; Q547-T590 HydrophobicContact CG-CG2 3.61Å; P549-T590 WeakPolarHBondContact CD-OG1 3.35Å; P549-T590 WeakPolarHBondContact CG-OG1 3.36Å; T590-S592 PolarHBondContact O-N 3.34Å
591V91.8Very high93.2Very high9 Ų939.6 Ų39.66%0.05523%0.227CC..  trans-56.8136.6171.959.20000110.7Q547 M551 A584 Q589 R596 V597 T600Q547-V591 HydrophobicContact CB-CG1 4.03Å; Q547-V591 HydrophobicContact CG-CG1 3.96Å; M551-V591 HydrophobicContact CE-CG1 4.47Å; A584-V591 HydrophobicContact CB-CB 4.41Å; A584-V591 HydrophobicContact CB-CG2 4.08Å; Q589-V591 PolarHBondContact O-N 3.28Å; V591-R596 HydrophobicContact CG2-CB 3.78Å; V591-V597 HydrophobicContact CG1-CG2 4.27Å; V591-V597 HydrophobicContact CG2-CG2 4.25Å; V591-V597 WeakPolarHBondContact O-CG2 3.18Å; V591-T600 HydrophobicContact CG1-CG2 4.37Å
592S89Confident93.2Very high82 Ų8239.6 Ų39.657%0.57323%0.227SC*.  trans-140.2157.1-174.445.80000110.7T590T590-S592 PolarHBondContact O-N 3.34Å
593G88.6Confident93.3Very high28 Ų2837.4 Ų37.429%0.28921%0.213SC..SBendtrans86.1119.8-165.300000111D595 R596 V597G593-D595 PolarHBondContact O-N 2.74Å; G593-R596 PolarHBondContact O-N 3.31Å; G593-V597 VanDerWaalsContact O-CG2 3.32Å; G593-V597 WeakPolarHBondContact O-CG2 3.44Å; G593-V597 PolarHBondContact O-N 3.34Å
594I89.1Confident93.5Very high5 Ų530.9 Ų30.93%0.02618%0.183CC..Hα-helixtrans-54.9-37.6-174.5-168.6155.1000113.8R596 V597 Q598 S652 M655 D726 V727I594-R596 PolarHBondContact O-N 2.76Å; I594-V597 PolarHBondContact O-N 3.48Å; I594-Q598 HydrophobicContact CG1-CG 4Å; I594-Q598 WeakPolarHBondContact O-CG 3.44Å; I594-Q598 PolarHBondContact O-N 3.13Å; I594-Q598 VanDerWaalsContact O-N 3.14Å; I594-S652 WeakPolarHBondContact O-CB 3.46Å; I594-M655 HydrophobicContact CD1-CB 4.14Å; I594-M655 HydrophobicContact CD1-CE 3.58Å; I594-M655 HydrophobicContact CD1-SD 4.2Å; I594-M655 HydrophobicContact CG1-CB 4.49Å; I594-M655 HydrophobicContact CG2-CB 4.33Å; I594-D726 PolarHBondContact N-OD2 2.95Å; I594-V727 HydrophobicContact CD1-CB 4.13Å; I594-V727 HydrophobicContact CD1-CG2 3.98Å
595D91.7Very high93.6Very high48 Ų4830.8 Ų30.826%0.25718%0.182SC..Hα-helixtrans-64.6-17.1175.460.1-31.3000114.7S577 G593S577-D595 PolarHBondContact OG-O 2.68Å; G593-D595 PolarHBondContact O-N 2.74Å
596R94.3Very high93.8Very high92 Ų9231.2 Ų31.235%0.34719%0.185SC..Hα-helixtrans-105.6-39.7173.2-57.8-178.965.9-156.31.9112.6F579 V591 G593 I594 T600F579-R596 HydrophobicContact CD1-CB 4.37Å; F579-R596 HydrophobicContact CD1-CG 3.9Å; F579-R596 HydrophobicContact CD2-CB 4.37Å; F579-R596 HydrophobicContact CD2-CG 4.31Å; F579-R596 HydrophobicContact CE1-CB 4.14Å; F579-R596 HydrophobicContact CE1-CG 4.14Å; F579-R596 HydrophobicContact CE2-CB 4.14Å; F579-R596 HydrophobicContact CG-CB 4.5Å; F579-R596 HydrophobicContact CG-CG 4.01Å; F579-R596 HydrophobicContact CZ-CB 4.03Å; F579-R596 HydrophobicContact CZ-CG 4.46Å; F579-R596 WeakPolarHBondContact CZ-O 3.46Å; V591-R596 HydrophobicContact CG2-CB 3.78Å; G593-R596 PolarHBondContact O-N 3.31Å; I594-R596 PolarHBondContact O-N 2.76Å; R596-T600 WeakPolarHBondContact O-CB 3.31Å; R596-T600 PolarHBondContact O-N 3.08Å; R596-T600 PolarHBondContact O-OG1 3.32Å
597V93.7Very high94Very high2 Ų229.2 Ų29.21%0.01217%0.17CC..Hα-helixtrans-61.9-50.9-177.9171.30000111.1Q544 Q547 V591 G593 I594 T600 I601Q544-V597 HydrophobicContact CG-CG1 3.74Å; Q547-V597 HydrophobicContact CG-CG1 4.34Å; V591-V597 HydrophobicContact CG1-CG2 4.27Å; V591-V597 HydrophobicContact CG2-CG2 4.25Å; V591-V597 WeakPolarHBondContact O-CG2 3.18Å; G593-V597 VanDerWaalsContact O-CG2 3.32Å; G593-V597 WeakPolarHBondContact O-CG2 3.44Å; G593-V597 PolarHBondContact O-N 3.34Å; I594-V597 PolarHBondContact O-N 3.48Å; V597-T600 PolarHBondContact O-N 3.29Å; V597-I601 HydrophobicContact CG1-CD1 3.71Å; V597-I601 HydrophobicContact CG1-CG1 4.4Å; V597-I601 WeakPolarHBondContact O-CG1 3.44Å; V597-I601 PolarHBondContact O-N 3.48Å
598Q94.2Very high94.2Very high5 Ų528 Ų282%0.02316%0.16CC..Hα-helixtrans-66.8-45.4-172.9-53.8-164.7-8.700113.4I594 T600 I601 F602 L627 I648I594-Q598 HydrophobicContact CG1-CG 4Å; I594-Q598 WeakPolarHBondContact O-CG 3.44Å; I594-Q598 PolarHBondContact O-N 3.13Å; I594-Q598 VanDerWaalsContact O-N 3.14Å; Q598-T600 VanDerWaalsContact C-N 3.27Å; Q598-T600 PolarHBondContact O-N 2.74Å; Q598-I601 PolarHBondContact O-N 2.8Å; Q598-F602 WeakPolarHBondContact O-CB 3.3Å; Q598-F602 PolarHBondContact O-N 2.86Å; Q598-L627 HydrophobicContact CB-CD2 4.13Å; Q598-L627 HydrophobicContact CG-CD2 3.77Å; Q598-I648 HydrophobicContact CB-CD1 3.87Å; Q598-I648 HydrophobicContact CB-CG1 4.01Å
599P96.7Very high94.7Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-64.8-29.4174.4-22.235.2000113.2I573 F579 A603 I648I573-P599 HydrophobicContact CD1-CB 4.37Å; I573-P599 HydrophobicContact CG1-CB 4.44Å; I573-P599 HydrophobicContact CG2-CB 4.12Å; F579-P599 HydrophobicContact CE1-CB 4.32Å; F579-P599 HydrophobicContact CE1-CG 4.35Å; F579-P599 HydrophobicContact CZ-CB 4.14Å; P599-A603 VanDerWaalsContact O-CB 3.3Å; P599-A603 WeakPolarHBondContact O-CB 3.17Å; P599-A603 PolarHBondContact O-N 3.38Å; P599-I648 HydrophobicContact CB-CG2 4.27Å; P599-I648 HydrophobicContact CG-CG2 4.4Å
600T97.3Very high94.9Very high0 Ų018 Ų180%011%0.11CC..Hα-helixtrans-71.5-40.9176.1-49.10000112.1M551 F579 V581 A584 M585 V591 R596 V597 Q598 A603 V604M551-T600 HydrophobicContact CE-CG2 3.5Å; F579-T600 WeakPolarHBondContact CE2-OG1 3.48Å; V581-T600 HydrophobicContact CG2-CG2 4Å; A584-T600 HydrophobicContact CB-CG2 4Å; M585-T600 HydrophobicContact CB-CG2 3.86Å; V591-T600 HydrophobicContact CG1-CG2 4.37Å; R596-T600 WeakPolarHBondContact O-CB 3.31Å; R596-T600 PolarHBondContact O-N 3.08Å; R596-T600 PolarHBondContact O-OG1 3.32Å; V597-T600 PolarHBondContact O-N 3.29Å; Q598-T600 VanDerWaalsContact C-N 3.27Å; Q598-T600 PolarHBondContact O-N 2.74Å; T600-A603 PolarHBondContact O-N 3.3Å; T600-V604 PolarHBondContact O-N 3.36Å
601I96.5Very high95.1Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-63.1-51.2173.5-66.4169.7000109.8Q544 Q547 V597 Q598 A603 V604 Q605 L627Q544-I601 HydrophobicContact CB-CD1 4.49Å; Q547-I601 HydrophobicContact CB-CG1 4.48Å; V597-I601 HydrophobicContact CG1-CD1 3.71Å; V597-I601 HydrophobicContact CG1-CG1 4.4Å; V597-I601 WeakPolarHBondContact O-CG1 3.44Å; V597-I601 PolarHBondContact O-N 3.48Å; Q598-I601 PolarHBondContact O-N 2.8Å; I601-A603 VanDerWaalsContact C-N 3.25Å; I601-A603 PolarHBondContact O-N 2.9Å; I601-V604 PolarHBondContact O-N 2.95Å; I601-V604 VanDerWaalsContact O-N 3.14Å; I601-Q605 HydrophobicContact CG2-CG 4.1Å; I601-Q605 WeakPolarHBondContact O-CB 3.27Å; I601-Q605 VanDerWaalsContact O-CG 3.27Å; I601-Q605 WeakPolarHBondContact O-CG 3.31Å; I601-Q605 PolarHBondContact O-N 2.68Å; I601-L627 HydrophobicContact CB-CD1 4.41Å; I601-L627 HydrophobicContact CG2-CD1 4.1Å
602F97.7Very high95.3Very high0 Ų014.6 Ų14.60%09%0.089CC..Hα-helixtrans-52.2-43.5176.3172.8-77.4000112.1M569 Q598 Q605 V606 A630 A631 V634 L645 I648M569-F602 HydrophobicContact SD-CD1 4.25Å; M569-F602 HydrophobicContact SD-CE1 3.93Å; Q598-F602 WeakPolarHBondContact O-CB 3.3Å; Q598-F602 PolarHBondContact O-N 2.86Å; F602-Q605 WeakPolarHBondContact O-CB 3.22Å; F602-Q605 PolarHBondContact O-N 2.95Å; F602-V606 HydrophobicContact CD1-CG2 4.22Å; F602-V606 HydrophobicContact CE1-CG2 3.87Å; F602-V606 HydrophobicContact CE2-CG2 4.28Å; F602-V606 HydrophobicContact CZ-CG2 3.91Å; F602-V606 WeakPolarHBondContact O-CG2 3.28Å; F602-V606 PolarHBondContact O-N 3.42Å; F602-A630 HydrophobicContact CD2-CB 4.04Å; F602-A630 HydrophobicContact CE2-CB 4.01Å; F602-A631 HydrophobicContact CD2-CB 3.9Å; F602-A631 HydrophobicContact CE2-CB 4.3Å; F602-V634 HydrophobicContact CE2-CG2 4.34Å; F602-V634 HydrophobicContact CZ-CG2 4.05Å; F602-L645 HydrophobicContact CD1-CD2 3.7Å; F602-L645 HydrophobicContact CE1-CD2 3.35Å; F602-L645 HydrophobicContact CE1-CG 3.77Å; F602-L645 HydrophobicContact CZ-CD2 4.23Å; F602-L645 HydrophobicContact CZ-CG 4.27Å; F602-I648 HydrophobicContact CB-CB 4.47Å; F602-I648 HydrophobicContact CB-CG1 3.94Å; F602-I648 HydrophobicContact CB-CG2 4.25Å; F602-I648 HydrophobicContact CD1-CG2 4.2Å; F602-I648 HydrophobicContact CD2-CB 4.1Å; F602-I648 HydrophobicContact CD2-CG1 4.3Å; F602-I648 HydrophobicContact CD2-CG2 4.1Å; F602-I648 HydrophobicContact CG-CB 4.31Å; F602-I648 HydrophobicContact CG-CG1 4.3Å; F602-I648 HydrophobicContact CG-CG2 3.94Å
603A97.8Very high95.6Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-63.9-43.3179.700000112.6M569 I573 V581 M585 P599 T600 I601 A607M569-A603 HydrophobicContact CE-CB 3.8Å; M569-A603 WeakPolarHBondContact CE-O 3.44Å; M569-A603 HydrophobicContact SD-CB 4.26Å; I573-A603 HydrophobicContact CD1-CB 4.22Å; V581-A603 HydrophobicContact CG1-CB 4.28Å; V581-A603 HydrophobicContact CG2-CB 3.67Å; M585-A603 HydrophobicContact CE-CB 4.06Å; P599-A603 VanDerWaalsContact O-CB 3.3Å; P599-A603 WeakPolarHBondContact O-CB 3.17Å; P599-A603 PolarHBondContact O-N 3.38Å; T600-A603 PolarHBondContact O-N 3.3Å; I601-A603 VanDerWaalsContact C-N 3.25Å; I601-A603 PolarHBondContact O-N 2.9Å; A603-A607 WeakPolarHBondContact O-CB 3.29Å; A603-A607 PolarHBondContact O-N 3.35Å; A603-A607 VanDerWaalsContact O-N 3.12Å
604V97.7Very high95.8Very high0 Ų017.6 Ų17.60%09%0.09CC..Hα-helixtrans-63.9-44.6173.41770000110.5M551 F562 M585 T600 I601 V606 A607 L608 P806 M831M551-V604 HydrophobicContact CE-CG2 4.19Å; F562-V604 HydrophobicContact CE2-CG1 4.05Å; F562-V604 HydrophobicContact CZ-CB 4.42Å; F562-V604 HydrophobicContact CZ-CG1 4.1Å; F562-V604 HydrophobicContact CZ-CG2 4.28Å; M585-V604 HydrophobicContact CB-CG2 4.48Å; M585-V604 HydrophobicContact CE-CG2 4.16Å; M585-V604 HydrophobicContact SD-CG2 4.25Å; T600-V604 PolarHBondContact O-N 3.36Å; I601-V604 PolarHBondContact O-N 2.95Å; I601-V604 VanDerWaalsContact O-N 3.14Å; V604-V606 PolarHBondContact O-N 2.93Å; V604-A607 PolarHBondContact O-N 3.31Å; V604-L608 HydrophobicContact CG1-CD1 4.02Å; V604-L608 HydrophobicContact CG1-CG 4.17Å; V604-L608 WeakPolarHBondContact O-CB 3.45Å; V604-L608 VanDerWaalsContact O-CG 3.3Å; V604-L608 WeakPolarHBondContact O-CG 3.29Å; V604-L608 PolarHBondContact O-N 2.86Å; V604-P806 HydrophobicContact CB-CG 4.22Å; V604-P806 HydrophobicContact CG1-CG 3.98Å; V604-P806 HydrophobicContact CG2-CG 4.42Å; V604-M831 HydrophobicContact CG1-SD 3.82Å
605Q98Very high95.9Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-58.2-49.3-178.7-75.3-175-36.400113.4F541 S542 I601 F602 A609 A631 L804F541-Q605 HydrophobicContact CD1-CB 3.83Å; F541-Q605 HydrophobicContact CD1-CG 4.12Å; F541-Q605 HydrophobicContact CE1-CB 4.13Å; S542-Q605 VanDerWaalsContact N-NE2 3.18Å; S542-Q605 PolarHBondContact O-NE2 3.13Å; I601-Q605 HydrophobicContact CG2-CG 4.1Å; I601-Q605 WeakPolarHBondContact O-CB 3.27Å; I601-Q605 VanDerWaalsContact O-CG 3.27Å; I601-Q605 WeakPolarHBondContact O-CG 3.31Å; I601-Q605 PolarHBondContact O-N 2.68Å; F602-Q605 WeakPolarHBondContact O-CB 3.22Å; F602-Q605 PolarHBondContact O-N 2.95Å; Q605-A609 PolarHBondContact O-N 3.4Å; Q605-A631 HydrophobicContact CB-CB 3.79Å; Q605-L804 WeakPolarHBondContact CG-O 3.4Å; Q605-L804 PolarHBondContact NE2-O 2.88Å
606V98.1Very high95.9Very high10 Ų1017.2 Ų17.26%0.0619%0.086CC..Hα-helixtrans-70.1-37.2179.1176.40000111.3T565 M569 F602 V604 A609 A610 A631 V634 V635 L641T565-V606 HydrophobicContact CG2-CG1 4.22Å; M569-V606 HydrophobicContact CE-CB 4.4Å; M569-V606 HydrophobicContact SD-CB 4.27Å; M569-V606 HydrophobicContact SD-CG1 4.4Å; F602-V606 HydrophobicContact CD1-CG2 4.22Å; F602-V606 HydrophobicContact CE1-CG2 3.87Å; F602-V606 HydrophobicContact CE2-CG2 4.28Å; F602-V606 HydrophobicContact CZ-CG2 3.91Å; F602-V606 WeakPolarHBondContact O-CG2 3.28Å; F602-V606 PolarHBondContact O-N 3.42Å; V604-V606 PolarHBondContact O-N 2.93Å; V606-A609 PolarHBondContact O-N 3.3Å; V606-A610 WeakPolarHBondContact O-CB 3.38Å; V606-A610 PolarHBondContact O-N 3.44Å; V606-A631 HydrophobicContact CG2-CB 3.99Å; V606-V634 HydrophobicContact CG1-CG1 4.25Å; V606-V634 HydrophobicContact CG2-CG1 4.44Å; V606-V635 HydrophobicContact CG2-CG2 4.4Å; V606-L641 HydrophobicContact CG1-CD1 3.88Å
607A98.1Very high95.9Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-69.3-35.8178.100000113.3F562 T565 V566 M569 A603 V604 A610 A611F562-A607 HydrophobicContact CB-CB 4.47Å; F562-A607 HydrophobicContact CD1-CB 4.39Å; F562-A607 VanDerWaalsContact CD2-C 3.49Å; F562-A607 HydrophobicContact CD2-CB 3.4Å; F562-A607 VanDerWaalsContact CD2-CB 3.4Å; F562-A607 HydrophobicContact CE2-CB 3.57Å; F562-A607 HydrophobicContact CG-CB 3.84Å; F562-A607 HydrophobicContact CZ-CB 4.14Å; T565-A607 HydrophobicContact CG2-CB 4.08Å; V566-A607 HydrophobicContact CG2-CB 3.76Å; M569-A607 HydrophobicContact CE-CB 4.35Å; A603-A607 WeakPolarHBondContact O-CB 3.29Å; A603-A607 PolarHBondContact O-N 3.35Å; A603-A607 VanDerWaalsContact O-N 3.12Å; V604-A607 PolarHBondContact O-N 3.31Å; A607-A610 PolarHBondContact O-N 3.01Å; A607-A611 WeakPolarHBondContact O-CB 3.15Å; A607-A611 PolarHBondContact O-N 3.5Å
608L97.8Very high95.9Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-58-52.3169.8-76.5173.8000110.7L555 F562 V604 A610 A611 L612 L804 A830 M831 L841L555-L608 HydrophobicContact CD1-CD2 3.62Å; F562-L608 HydrophobicContact CD2-CD2 4.4Å; F562-L608 HydrophobicContact CE2-CD2 4.23Å; F562-L608 HydrophobicContact CE2-CG 4.13Å; V604-L608 HydrophobicContact CG1-CD1 4.02Å; V604-L608 HydrophobicContact CG1-CG 4.17Å; V604-L608 WeakPolarHBondContact O-CB 3.45Å; V604-L608 VanDerWaalsContact O-CG 3.3Å; V604-L608 WeakPolarHBondContact O-CG 3.29Å; V604-L608 PolarHBondContact O-N 2.86Å; L608-A610 VanDerWaalsContact C-N 3.31Å; L608-A610 PolarHBondContact O-N 3.38Å; L608-A611 PolarHBondContact O-N 3.31Å; L608-L612 VanDerWaalsContact O-CG 3.32Å; L608-L612 WeakPolarHBondContact O-CG 3.22Å; L608-L612 PolarHBondContact O-N 3.3Å; L608-L804 HydrophobicContact CB-CB 4.4Å; L608-L804 HydrophobicContact CB-CD1 4.44Å; L608-L804 HydrophobicContact CD1-CB 4.12Å; L608-A830 HydrophobicContact CD1-CB 4.07Å; L608-A830 HydrophobicContact CD2-CB 4.22Å; L608-M831 HydrophobicContact CD1-CG 4.36Å; L608-M831 HydrophobicContact CD1-SD 4.11Å; L608-M831 HydrophobicContact CD2-CG 4.13Å; L608-M831 HydrophobicContact CD2-SD 4.02Å; L608-M831 HydrophobicContact CG-SD 4.43Å; L608-L841 HydrophobicContact CD2-CD1 3.92Å; L608-L841 HydrophobicContact CD2-CD2 3.74Å; L608-L841 HydrophobicContact CD2-CG 4.45Å
609A97.3Very high95.9Very high6 Ų620.6 Ų20.65%0.0510%0.1CC..Hα-helixtrans-61.8-38.1-178.900000112.8F541 Q605 V606 K613 V635 L804F541-A609 HydrophobicContact CZ-CB 4.33Å; Q605-A609 PolarHBondContact O-N 3.4Å; V606-A609 PolarHBondContact O-N 3.3Å; A609-K613 WeakPolarHBondContact O-CB 3.44Å; A609-K613 PolarHBondContact O-N 3.48Å; A609-V635 HydrophobicContact CB-CB 4.27Å; A609-V635 HydrophobicContact CB-CG1 3.62Å; A609-V635 HydrophobicContact CB-CG2 3.53Å; A609-L804 HydrophobicContact CB-CD1 3.79Å
610A96.7Very high95.8Very high29 Ų2921.4 Ų21.424%0.2411%0.109CC..Hα-helixtrans-65-43.1175.500000112.4V561 T565 V606 A607 L608 K613 S614V561-A610 HydrophobicContact CG1-CB 4.23Å; T565-A610 HydrophobicContact CG2-CB 4.03Å; T565-A610 WeakPolarHBondContact OG1-CB 3.34Å; V606-A610 WeakPolarHBondContact O-CB 3.38Å; V606-A610 PolarHBondContact O-N 3.44Å; A607-A610 PolarHBondContact O-N 3.01Å; L608-A610 VanDerWaalsContact C-N 3.31Å; L608-A610 PolarHBondContact O-N 3.38Å; A610-K613 PolarHBondContact O-N 3.14Å; A610-S614 PolarHBondContact O-N 3.14Å
611A96Very high95.8Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-65.7-44.4176.800000111.9V561 F562 A607 L608 K613 S614 Y615 L841V561-A611 HydrophobicContact CB-CB 4.38Å; F562-A611 HydrophobicContact CB-CB 4.29Å; A607-A611 WeakPolarHBondContact O-CB 3.15Å; A607-A611 PolarHBondContact O-N 3.5Å; L608-A611 PolarHBondContact O-N 3.31Å; A611-K613 VanDerWaalsContact C-N 3.33Å; A611-K613 PolarHBondContact O-N 3.37Å; A611-S614 WeakPolarHBondContact O-CA 3.4Å; A611-S614 WeakPolarHBondContact O-CB 3.35Å; A611-S614 PolarHBondContact O-N 3Å; A611-S614 PolarHBondContact O-OG 2.99Å; A611-Y615 VanDerWaalsContact O-CD2 3.27Å; A611-Y615 WeakPolarHBondContact O-CD2 3.47Å; A611-Y615 PolarHBondContact O-N 2.83Å; A611-L841 HydrophobicContact CB-CD1 3.66Å
612L96Very high95.8Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-61.8-39.3176.6-66170.7000112.5W539 L608 S614 Y615 V617 L804 L841 F844 V845W539-L612 HydrophobicContact CH2-CD1 3.95Å; W539-L612 HydrophobicContact CZ2-CB 4.14Å; W539-L612 HydrophobicContact CZ2-CD1 3.71Å; L608-L612 VanDerWaalsContact O-CG 3.32Å; L608-L612 WeakPolarHBondContact O-CG 3.22Å; L608-L612 PolarHBondContact O-N 3.3Å; L612-S614 PolarHBondContact O-N 3.44Å; L612-Y615 PolarHBondContact O-N 2.83Å; L612-V617 CarbonylContact C-O 3.59Å; L612-V617 HydrophobicContact CB-CB 4.35Å; L612-V617 WeakPolarHBondContact O-CB 3.35Å; L612-V617 PolarHBondContact O-N 2.98Å; L612-V617 VanDerWaalsContact O-N 3.09Å; L612-L804 HydrophobicContact CD1-CD1 4.17Å; L612-L804 HydrophobicContact CD1-CD2 3.54Å; L612-L841 HydrophobicContact CD2-CB 4.09Å; L612-L841 HydrophobicContact CD2-CD1 4.24Å; L612-L841 HydrophobicContact CG-CD1 4.28Å; L612-F844 HydrophobicContact CD1-CD1 4.01Å; L612-F844 HydrophobicContact CD1-CE1 3.67Å; L612-F844 HydrophobicContact CD2-CD1 3.65Å; L612-F844 HydrophobicContact CD2-CE1 4.14Å; L612-F844 HydrophobicContact CG-CD1 4.5Å; L612-V845 HydrophobicContact CD2-CG2 3.94Å
613K94.1Very high95.9Very high127 Ų12721.4 Ų21.455%0.55211%0.109SC*.Hα-helixtrans-60.4-28.1172.3-172.4171-178.3170.60112.7A609 A610 A611 G616 V617A609-K613 WeakPolarHBondContact O-CB 3.44Å; A609-K613 PolarHBondContact O-N 3.48Å; A610-K613 PolarHBondContact O-N 3.14Å; A611-K613 VanDerWaalsContact C-N 3.33Å; A611-K613 PolarHBondContact O-N 3.37Å; K613-G616 PolarHBondContact O-N 2.93Å; K613-V617 WeakPolarHBondContact CA-O 3.39Å; K613-V617 PolarHBondContact N-O 3.38Å
614S93.1Very high95.8Very high46 Ų4621.4 Ų21.432%0.32211%0.109SC..Hα-helixtrans-79-18.5175.577.80000114.5A610 A611 L612 G616 V859A610-S614 PolarHBondContact O-N 3.14Å; A611-S614 WeakPolarHBondContact O-CA 3.4Å; A611-S614 WeakPolarHBondContact O-CB 3.35Å; A611-S614 PolarHBondContact O-N 3Å; A611-S614 PolarHBondContact O-OG 2.99Å; L612-S614 PolarHBondContact O-N 3.44Å; S614-G616 VanDerWaalsContact C-N 3.3Å; S614-V859 WeakPolarHBondContact O-CG1 3.46Å
615Y91.8Very high95.6Very high42 Ų4222.4 Ų22.417%0.16511%0.113CC..THydrogen-bonded Turntrans-92.619.3169.7-64.9-67.6000112.9E559 A611 L612 V617 R842 V845E559-Y615 PolarHBondContact OE1-OH 2.84Å; E559-Y615 VanDerWaalsContact OE1-OH 3.06Å; E559-Y615 VanDerWaalsContact OE2-CE2 3.22Å; E559-Y615 WeakPolarHBondContact OE2-CE2 3.41Å; E559-Y615 PolarHBondContact OE2-OH 3.38Å; A611-Y615 VanDerWaalsContact O-CD2 3.27Å; A611-Y615 WeakPolarHBondContact O-CD2 3.47Å; A611-Y615 PolarHBondContact O-N 2.83Å; L612-Y615 PolarHBondContact O-N 2.83Å; Y615-V617 PolarHBondContact O-N 2.89Å; Y615-R842 HydrophobicContact CE1-CG 4.45Å; Y615-R842 VanDerWaalsContact OH-CZ 3.28Å; Y615-R842 PolarHBondContact OH-NH1 3.49Å; Y615-R842 PolarHBondContact OH-NH2 3.3Å; Y615-V845 HydrophobicContact CD2-CG2 4.08Å; Y615-V845 HydrophobicContact CG-CG2 4.05Å
616G91.6Very high95.4Very high3 Ų323 Ų233%0.03112%0.117CC..THydrogen-bonded Turntrans76.12.8-179.800000115.2K613 S614 R618 D856K613-G616 PolarHBondContact O-N 2.93Å; S614-G616 VanDerWaalsContact C-N 3.3Å; G616-R618 PolarHBondContact O-N 3Å; G616-D856 VanDerWaalsContact O-CB 3.3Å; G616-D856 WeakPolarHBondContact O-CB 3.19Å; G616-D856 PolarHBondContact O-N 3.5Å; G616-D856 VanDerWaalsContact O-N 3.12Å
617V94.6Very high95.2Very high0 Ų022.5 Ų22.50%012%0.115CC..  trans-85.5107.8178.4-168.10000110P537 W539 L612 K613 Y615 V845 V848 V855P537-V617 HydrophobicContact CG-CG1 3.97Å; W539-V617 HydrophobicContact CH2-CG1 3.69Å; W539-V617 HydrophobicContact CZ2-CB 4.43Å; W539-V617 HydrophobicContact CZ2-CG1 3.57Å; L612-V617 CarbonylContact C-O 3.59Å; L612-V617 HydrophobicContact CB-CB 4.35Å; L612-V617 WeakPolarHBondContact O-CB 3.35Å; L612-V617 PolarHBondContact O-N 2.98Å; L612-V617 VanDerWaalsContact O-N 3.09Å; K613-V617 WeakPolarHBondContact CA-O 3.39Å; K613-V617 PolarHBondContact N-O 3.38Å; Y615-V617 PolarHBondContact O-N 2.89Å; V617-V845 HydrophobicContact CG2-CB 4.43Å; V617-V845 HydrophobicContact CG2-CG1 3.93Å; V617-V845 HydrophobicContact CG2-CG2 4Å; V617-V848 HydrophobicContact CG1-CG1 3.81Å; V617-V855 HydrophobicContact CG2-CG1 4.17Å; V617-V855 HydrophobicContact CG2-CG2 4.15Å
618R92.8Very high95Very high151 Ų15122.5 Ų22.557%0.5712%0.115SC*.  trans-108.4128.6177.8-53.1-176.6-159.5-176.211.1109.1G536 P537 G616 D856G536-R618 VanDerWaalsContact CA-O 3.29Å; G536-R618 WeakPolarHBondContact CA-O 3.21Å; P537-R618 WeakPolarHBondContact CD-O 3.32Å; G616-R618 PolarHBondContact O-N 3Å; R618-D856 IonicContact CZ-OD2 2.68Å; R618-D856 IonicContact NH2-OD2 2.68Å; R618-D856 PolarHBondContact NH2-OD2 3.14Å
619P95.1Very high95Very high18 Ų1822.5 Ų22.512%0.11712%0.115CC..  trans-64.3140.2177.825.9-33000111.1P537 W539 I622 I755P537-P619 CarbonylContact O-C 3.47Å; P537-P619 WeakPolarHBondContact O-CA 3.5Å; W539-P619 HydrophobicContact CD2-CB 4.37Å; W539-P619 HydrophobicContact CG-CB 3.92Å; W539-P619 HydrophobicContact CG-CG 4.49Å; P619-I622 HydrophobicContact CB-CG1 4.23Å; P619-I622 HydrophobicContact CG-CD1 4.18Å; P619-I622 HydrophobicContact CG-CG1 4.35Å; P619-I755 HydrophobicContact CB-CG2 4.36Å; P619-I755 HydrophobicContact CG-CD1 3.86Å; P619-I755 HydrophobicContact CG-CG1 4.41Å; P619-I755 HydrophobicContact CG-CG2 4.21Å
620G93.9Very high94.9Very high17 Ų1722.2 Ų22.218%0.17511%0.112CC..SBendtrans-84.4-24.1170.300000112.3G536 P537 P756 Y798G536-G620 VanDerWaalsContact C-N 3.27Å; G536-G620 WeakPolarHBondContact O-CA 3.42Å; G536-G620 PolarHBondContact O-N 2.91Å; P537-G620 PolarHBondContact O-N 3.38Å; G620-P756 WeakPolarHBondContact O-CD 3.38Å; G620-Y798 VanDerWaalsContact C-CE1 3.42Å; G620-Y798 WeakPolarHBondContact O-CE1 3.09Å; G620-Y798 PolarHBondContact O-OH 2.82Å
621A96.9Very high95Very high0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-157.2168.4173.200000111.4V538 W539 P756 Y758 Y798V538-A621 VanDerWaalsContact CA-O 3.3Å; V538-A621 WeakPolarHBondContact CA-O 3.49Å; V538-A621 HydrophobicContact CG1-CB 4.25Å; V538-A621 HydrophobicContact CG2-CB 4.27Å; W539-A621 PolarHBondContact N-O 2.87Å; A621-P756 CarbonylContact C-O 3.4Å; A621-P756 VanDerWaalsContact CA-O 3.28Å; A621-P756 WeakPolarHBondContact CA-O 3.15Å; A621-P756 HydrophobicContact CB-CB 4.21Å; A621-Y758 HydrophobicContact CB-CD2 4.22Å; A621-Y758 HydrophobicContact CB-CE2 3.72Å; A621-Y798 HydrophobicContact CB-CD1 4.21Å; A621-Y798 HydrophobicContact CB-CD2 4.32Å; A621-Y798 HydrophobicContact CB-CE1 3.77Å; A621-Y798 HydrophobicContact CB-CE2 3.9Å; A621-Y798 HydrophobicContact CB-CG 4.47Å
622I97.9Very high95Very high0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-137.2139.6-177.7-74.1170.6000110.6W539 F541 P619 A632 V635 A636 I755 P756 Y757 Y758W539-I622 HydrophobicContact CB-CG1 4.32Å; W539-I622 WeakPolarHBondContact O-CA 3.42Å; F541-I622 HydrophobicContact CD2-CG2 4.01Å; F541-I622 HydrophobicContact CE2-CG1 4.41Å; F541-I622 HydrophobicContact CE2-CG2 3.87Å; P619-I622 HydrophobicContact CB-CG1 4.23Å; P619-I622 HydrophobicContact CG-CD1 4.18Å; P619-I622 HydrophobicContact CG-CG1 4.35Å; I622-A632 HydrophobicContact CG2-CB 3.51Å; I622-V635 HydrophobicContact CD1-CB 4.16Å; I622-V635 HydrophobicContact CD1-CG1 3.8Å; I622-A636 HydrophobicContact CD1-CB 3.74Å; I622-I755 HydrophobicContact CD1-CB 4.13Å; I622-I755 HydrophobicContact CD1-CD1 4.1Å; I622-I755 HydrophobicContact CD1-CG2 3.76Å; I622-I755 HydrophobicContact CG1-CG2 3.89Å; I622-P756 PolarHBondContact N-O 3.32Å; I622-Y757 HydrophobicContact CG2-CD2 4.05Å; I622-Y757 HydrophobicContact CG2-CE2 4.25Å; I622-Y758 PolarHBondContact O-N 3.5Å
623I98Very high95.1Very high0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-131.4132.9172.3-46.1-174.2000108.9V538 W539 V540 F541 Y758 F786 A789 V790 A793 F801V538-I623 HydrophobicContact CG1-CD1 3.97Å; V538-I623 HydrophobicContact CG1-CG1 3.72Å; W539-I623 PolarHBondContact O-N 2.71Å; V540-I623 CarbonylContact C-O 3.12Å; V540-I623 WeakPolarHBondContact CA-O 3.45Å; F541-I623 PolarHBondContact N-O 2.87Å; I623-Y758 HydrophobicContact CG1-CD2 4.46Å; I623-F786 HydrophobicContact CG2-CD2 3.93Å; I623-F786 HydrophobicContact CG2-CE2 3.69Å; I623-A789 HydrophobicContact CG2-CB 3.74Å; I623-V790 HydrophobicContact CD1-CG2 4.04Å; I623-A793 HydrophobicContact CD1-CB 4.08Å; I623-F801 HydrophobicContact CD1-CE1 4.03Å
624G95.7Very high95.3Very high0 Ų015.8 Ų15.80%08%0.08CC..EExtended strand (participates in β ladder)trans-114.4157.3170.100000112.7F541 E629 A760F541-G624 CarbonylContact O-C 3.58Å; G624-E629 VanDerWaalsContact C-CG 3.48Å; G624-A760 VanDerWaalsContact O-CB 3.25Å; G624-A760 WeakPolarHBondContact O-CB 3.49Å
625H94.4Very high95.5Very high22 Ų2215 Ų1510%0.1027%0.073CC..  trans-129.9117.5178.8175-64.7000110.5F541 L627 G628 V690 F786 L810F541-H625 PolarHBondContact O-N 2.83Å; H625-L627 PolarHBondContact O-N 3.03Å; H625-G628 PolarHBondContact O-N 3.17Å; H625-V690 WeakPolarHBondContact NE2-CG1 3.35Å; H625-F786 HydrophobicContact CB-CD2 4.04Å; H625-F786 HydrophobicContact CB-CE2 4.45Å; H625-F786 AromaticContact CD2-CG 3.79Å; H625-L810 HydrophobicContact CB-CD1 3.54Å
626S93.5Very high95.8Very high12 Ų1213 Ų138%0.0847%0.066CC..THydrogen-bonded Turntrans55.4-122.5-177.3-179.80000110.1G628 E629 H730 N779S626-G628 PolarHBondContact O-N 3.28Å; S626-E629 WeakPolarHBondContact O-CB 3.47Å; S626-E629 PolarHBondContact O-N 2.66Å; S626-E629 VanDerWaalsContact O-N 3.13Å; S626-H730 WeakPolarHBondContact CB-NE2 3.42Å; S626-H730 PolarHBondContact OG-CE1 2.92Å; S626-H730 VanDerWaalsContact OG-CE1 3.32Å; S626-H730 PolarHBondContact OG-NE2 2.66Å; S626-N779 PolarHBondContact O-ND2 2.87Å; S626-N779 PolarHBondContact O-OD1 3.48Å
627L93.3Very high95.9Very high0 Ų013.9 Ų13.90%08%0.075CC..THydrogen-bonded Turntrans-55.8-29.9175.982.890.4000113.8Q544 Q598 I601 H625 E629 A630 I648Q544-L627 HydrophobicContact CB-CD2 3.72Å; Q544-L627 VanDerWaalsContact N-CD2 3.35Å; Q598-L627 HydrophobicContact CB-CD2 4.13Å; Q598-L627 HydrophobicContact CG-CD2 3.77Å; I601-L627 HydrophobicContact CB-CD1 4.41Å; I601-L627 HydrophobicContact CG2-CD1 4.1Å; H625-L627 PolarHBondContact O-N 3.03Å; L627-E629 PolarHBondContact O-N 2.71Å; L627-E629 VanDerWaalsContact O-N 3.16Å; L627-A630 WeakPolarHBondContact O-CB 3.2Å; L627-A630 PolarHBondContact O-N 3.04Å; L627-I648 HydrophobicContact CB-CD1 3.84Å; L627-I648 HydrophobicContact CD1-CD1 4.05Å; L627-I648 HydrophobicContact CG-CD1 4.5Å
628G95Very high96Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-63.2-20.2-179.600000112.8F541 H625 S626 A630 A631 A632F541-G628 VanDerWaalsContact CB-O 3.31Å; F541-G628 WeakPolarHBondContact CB-O 3.29Å; H625-G628 PolarHBondContact O-N 3.17Å; S626-G628 PolarHBondContact O-N 3.28Å; G628-A630 PolarHBondContact O-N 2.8Å; G628-A631 PolarHBondContact O-N 2.76Å; G628-A632 VanDerWaalsContact O-CB 3.25Å; G628-A632 WeakPolarHBondContact O-CB 3.45Å; G628-A632 PolarHBondContact O-N 2.83Å
629E96.7Very high96.2Very high0 Ų07 Ų70%05%0.049CC..Hα-helixtrans-60.4-28.5171-68.2-146.8-125.700113.1G624 S626 L627 A633 Y757 A760 T761 Y775 W776 N779G624-E629 VanDerWaalsContact C-CG 3.48Å; S626-E629 WeakPolarHBondContact O-CB 3.47Å; S626-E629 PolarHBondContact O-N 2.66Å; S626-E629 VanDerWaalsContact O-N 3.13Å; L627-E629 PolarHBondContact O-N 2.71Å; L627-E629 VanDerWaalsContact O-N 3.16Å; E629-A633 VanDerWaalsContact O-CB 3.27Å; E629-A633 WeakPolarHBondContact O-CB 3.04Å; E629-A633 PolarHBondContact O-N 2.86Å; E629-Y757 WeakPolarHBondContact CB-OH 3.3Å; E629-Y757 PolarHBondContact O-OH 3.15Å; E629-Y757 PolarHBondContact OE2-OH 2.99Å; E629-A760 PolarHBondContact OE1-N 3.3Å; E629-T761 PolarHBondContact OE1-N 2.92Å; E629-T761 PolarHBondContact OE1-OG1 2.7Å; E629-Y775 PolarHBondContact OE2-OH 3.44Å; E629-W776 HydrophobicContact CB-CH2 4.32Å; E629-W776 HydrophobicContact CB-CZ3 4Å; E629-N779 PolarHBondContact OE1-ND2 2.92Å
630A96.2Very high96.2Very high0 Ų08.5 Ų8.50%06%0.061CC..Hα-helixtrans-70.6-42.117500000112.1F602 L627 G628 V634 V647 I648 W776F602-A630 HydrophobicContact CD2-CB 4.04Å; F602-A630 HydrophobicContact CE2-CB 4.01Å; L627-A630 WeakPolarHBondContact O-CB 3.2Å; L627-A630 PolarHBondContact O-N 3.04Å; G628-A630 PolarHBondContact O-N 2.8Å; A630-V634 PolarHBondContact O-N 3.16Å; A630-V647 HydrophobicContact CB-CG1 4.03Å; A630-I648 HydrophobicContact CB-CD1 4.45Å; A630-W776 HydrophobicContact CB-CH2 4.24Å; A630-W776 HydrophobicContact CB-CZ3 4.21Å
631A97.8Very high96.3Very high0 Ų010.4 Ų10.40%07%0.066CC..Hα-helixtrans-68-43.6175.500000110.7F541 F602 Q605 V606 G628 A633 V634 V635F541-A631 HydrophobicContact CD1-CB 3.99Å; F541-A631 HydrophobicContact CE1-CB 4.47Å; F541-A631 HydrophobicContact CG-CB 4.39Å; F602-A631 HydrophobicContact CD2-CB 3.9Å; F602-A631 HydrophobicContact CE2-CB 4.3Å; Q605-A631 HydrophobicContact CB-CB 3.79Å; V606-A631 HydrophobicContact CG2-CB 3.99Å; G628-A631 PolarHBondContact O-N 2.76Å; A631-A633 PolarHBondContact O-N 2.95Å; A631-V634 PolarHBondContact O-N 2.91Å; A631-V635 WeakPolarHBondContact O-CG2 3.43Å; A631-V635 PolarHBondContact O-N 3.04Å
632A97.5Very high96.2Very high0 Ų013.6 Ų13.60%08%0.081CC..Hα-helixtrans-54.3-47.2173.400000112.2F541 I622 G628 V634 V635 A636 Y757F541-A632 HydrophobicContact CB-CB 4.3Å; F541-A632 HydrophobicContact CD2-CB 3.58Å; F541-A632 HydrophobicContact CE2-CB 4.24Å; F541-A632 HydrophobicContact CG-CB 4.16Å; I622-A632 HydrophobicContact CG2-CB 3.51Å; G628-A632 VanDerWaalsContact O-CB 3.25Å; G628-A632 WeakPolarHBondContact O-CB 3.45Å; G628-A632 PolarHBondContact O-N 2.83Å; A632-V634 PolarHBondContact O-N 3.32Å; A632-V635 PolarHBondContact O-N 2.94Å; A632-A636 WeakPolarHBondContact O-CB 3.31Å; A632-A636 PolarHBondContact O-N 3.13Å; A632-Y757 HydrophobicContact CB-CE2 3.62Å
633A97.6Very high96.1Very high0 Ų014.2 Ų14.20%08%0.084CC..Hα-helixtrans-64.4-36.6-179.600000112.8E629 A631 G637 A638 L639 Y757 F771 W776E629-A633 VanDerWaalsContact O-CB 3.27Å; E629-A633 WeakPolarHBondContact O-CB 3.04Å; E629-A633 PolarHBondContact O-N 2.86Å; A631-A633 PolarHBondContact O-N 2.95Å; A633-G637 PolarHBondContact O-N 2.83Å; A633-A638 HydrophobicContact CB-CB 4.48Å; A633-A638 WeakPolarHBondContact O-CA 3.28Å; A633-A638 PolarHBondContact O-N 3.13Å; A633-L639 HydrophobicContact CB-CB 4.4Å; A633-L639 HydrophobicContact CB-CD1 4.09Å; A633-L639 HydrophobicContact CB-CG 4.05Å; A633-L639 PolarHBondContact O-N 2.99Å; A633-L639 VanDerWaalsContact O-N 3.13Å; A633-Y757 HydrophobicContact CB-CE2 4.44Å; A633-F771 HydrophobicContact CB-CD1 3.78Å; A633-F771 HydrophobicContact CB-CE1 3.7Å; A633-F771 HydrophobicContact CB-CZ 4.42Å; A633-W776 HydrophobicContact CB-CH2 4.28Å; A633-W776 HydrophobicContact CB-CZ2 4.38Å
634V97.9Very high96Very high20 Ų2014.2 Ų14.212%0.1218%0.084CC..Hα-helixtrans-69.4-45.9174.2171.80000111.5F602 V606 A630 A631 A632 A636 G637 L639 L641F602-V634 HydrophobicContact CE2-CG2 4.34Å; F602-V634 HydrophobicContact CZ-CG2 4.05Å; V606-V634 HydrophobicContact CG1-CG1 4.25Å; V606-V634 HydrophobicContact CG2-CG1 4.44Å; A630-V634 PolarHBondContact O-N 3.16Å; A631-V634 PolarHBondContact O-N 2.91Å; A632-V634 PolarHBondContact O-N 3.32Å; V634-A636 VanDerWaalsContact C-N 3.27Å; V634-A636 PolarHBondContact O-N 3.42Å; V634-G637 PolarHBondContact O-N 2.87Å; V634-L639 HydrophobicContact CG2-CB 3.89Å; V634-L641 HydrophobicContact CG1-CB 4.46Å; V634-L641 HydrophobicContact CG1-CD1 4.02Å
635V97.6Very high96.1Very high29 Ų2914.3 Ų14.318%0.1769%0.085CC..Hα-helixtrans-67.9-30.1179.9178.30000111.6F541 V606 A609 I622 A631 A632 G637 I755F541-V635 HydrophobicContact CE1-CG2 4.25Å; F541-V635 HydrophobicContact CE2-CB 4.34Å; F541-V635 HydrophobicContact CZ-CB 3.94Å; F541-V635 HydrophobicContact CZ-CG1 4.04Å; F541-V635 HydrophobicContact CZ-CG2 3.79Å; V606-V635 HydrophobicContact CG2-CG2 4.4Å; A609-V635 HydrophobicContact CB-CB 4.27Å; A609-V635 HydrophobicContact CB-CG1 3.62Å; A609-V635 HydrophobicContact CB-CG2 3.53Å; I622-V635 HydrophobicContact CD1-CB 4.16Å; I622-V635 HydrophobicContact CD1-CG1 3.8Å; A631-V635 WeakPolarHBondContact O-CG2 3.43Å; A631-V635 PolarHBondContact O-N 3.04Å; A632-V635 PolarHBondContact O-N 2.94Å; V635-G637 VanDerWaalsContact C-N 3.28Å; V635-G637 PolarHBondContact O-N 3.4Å; V635-I755 WeakPolarHBondContact O-CD1 3.41Å
636A96.8Very high96.1Very high0 Ų015.1 Ų15.10%09%0.087CC..THydrogen-bonded Turntrans-76.3-7.6172.500000114.2I622 A632 V634 A638 P753 E754 Y757I622-A636 HydrophobicContact CD1-CB 3.74Å; A632-A636 WeakPolarHBondContact O-CB 3.31Å; A632-A636 PolarHBondContact O-N 3.13Å; V634-A636 VanDerWaalsContact C-N 3.27Å; V634-A636 PolarHBondContact O-N 3.42Å; A636-A638 VanDerWaalsContact C-N 3.32Å; A636-A638 PolarHBondContact O-N 3.4Å; A636-P753 HydrophobicContact CB-CB 4.08Å; A636-P753 CarbonylContact O-C 3.52Å; A636-P753 VanDerWaalsContact O-CA 3.23Å; A636-P753 WeakPolarHBondContact O-CA 3.48Å; A636-E754 PolarHBondContact O-N 2.74Å; A636-Y757 HydrophobicContact CB-CD2 3.93Å
637G95.4Very high96.2Very high22 Ų2214.5 Ų14.523%0.2278%0.083CC..THydrogen-bonded Turntrans75.313.8-176.600000115.1A633 V634 V635 T751A633-G637 PolarHBondContact O-N 2.83Å; V634-G637 PolarHBondContact O-N 2.87Å; V635-G637 VanDerWaalsContact C-N 3.28Å; V635-G637 PolarHBondContact O-N 3.4Å; G637-T751 PolarHBondContact O-OG1 3.15Å
638A95.8Very high96.4Very high0 Ų014.5 Ų14.50%08%0.083CC..SBendtrans-86.7-16.1175.800000114A633 A636 P750 T751 P753 F771A633-A638 HydrophobicContact CB-CB 4.48Å; A633-A638 WeakPolarHBondContact O-CA 3.28Å; A633-A638 PolarHBondContact O-N 3.13Å; A636-A638 VanDerWaalsContact C-N 3.32Å; A636-A638 PolarHBondContact O-N 3.4Å; A638-P750 WeakPolarHBondContact O-CA 3.44Å; A638-T751 VanDerWaalsContact C-OG1 3.23Å; A638-T751 WeakPolarHBondContact CA-OG1 3.34Å; A638-T751 PolarHBondContact O-N 2.74Å; A638-T751 PolarHBondContact O-OG1 3.15Å; A638-P753 HydrophobicContact CB-CB 4.05Å; A638-F771 HydrophobicContact CB-CD2 3.64Å; A638-F771 HydrophobicContact CB-CE2 3.43Å; A638-F771 VanDerWaalsContact CB-CE2 3.43Å; A638-F771 HydrophobicContact CB-CG 4.3Å; A638-F771 HydrophobicContact CB-CZ 3.94Å
639L96.6Very high96.5Very high6 Ų614.5 Ų14.53%0.0318%0.083CC..SBendtrans-130.7148168.2-74.6-174.8000110.5A633 V634 D643 V647 V748 P750 F771 W776A633-L639 HydrophobicContact CB-CB 4.4Å; A633-L639 HydrophobicContact CB-CD1 4.09Å; A633-L639 HydrophobicContact CB-CG 4.05Å; A633-L639 PolarHBondContact O-N 2.99Å; A633-L639 VanDerWaalsContact O-N 3.13Å; V634-L639 HydrophobicContact CG2-CB 3.89Å; L639-D643 HydrophobicContact CD2-CB 4.2Å; L639-V647 HydrophobicContact CD1-CG2 4.19Å; L639-V748 HydrophobicContact CD2-CG1 3.49Å; L639-V748 VanDerWaalsContact CD2-CG1 3.49Å; L639-P750 HydrophobicContact CD2-CB 3.98Å; L639-F771 HydrophobicContact CD2-CB 4.28Å; L639-F771 HydrophobicContact CG-CB 4.47Å; L639-W776 HydrophobicContact CD1-CZ2 3.69Å
640S95.6Very high96.4Very high51 Ų5116.8 Ų16.836%0.3579%0.091SC..  trans-66.6155.2164.696.70000110.4H642 D643 G644S640-H642 PolarHBondContact O-N 3.32Å; S640-H642 PolarHBondContact OG-N 3.08Å; S640-D643 WeakPolarHBondContact CB-OD2 3.23Å; S640-D643 PolarHBondContact O-N 3.48Å; S640-D643 PolarHBondContact OG-N 3.15Å; S640-D643 VanDerWaalsContact OG-N 3.14Å; S640-D643 PolarHBondContact OG-OD2 3.33Å; S640-G644 PolarHBondContact O-N 2.83Å
641L95.7Very high96.3Very high57 Ų5716.9 Ų16.930%0.2989%0.092SC..Hα-helixtrans-54.9-36.5174.5-176.762.2000112.1M569 V606 V634 L645M569-L641 HydrophobicContact CG-CD1 3.91Å; M569-L641 HydrophobicContact CG-CD2 4.08Å; M569-L641 HydrophobicContact CG-CG 4.24Å; M569-L641 HydrophobicContact SD-CD1 3.83Å; V606-L641 HydrophobicContact CG1-CD1 3.88Å; V634-L641 HydrophobicContact CG1-CB 4.46Å; V634-L641 HydrophobicContact CG1-CD1 4.02Å; L641-L645 HydrophobicContact CG-CD1 4.29Å; L641-L645 WeakPolarHBondContact O-CB 3.46Å; L641-L645 WeakPolarHBondContact O-CD1 3.34Å; L641-L645 WeakPolarHBondContact O-CG 3.29Å; L641-L645 PolarHBondContact O-N 3.36Å
642H94.8Very high96.1Very high66 Ų6616.9 Ų16.931%0.3069%0.092SC..Hα-helixtrans-70.6-34.5178.8-170.6-81000111.8R575 S640 L645 R646R575-H642 PolarHBondContact NH2-NE2 2.72Å; S640-H642 PolarHBondContact O-N 3.32Å; S640-H642 PolarHBondContact OG-N 3.08Å; H642-L645 PolarHBondContact O-N 2.93Å; H642-R646 WeakPolarHBondContact CE1-CD 3.43Å; H642-R646 PolarHBondContact CE1-NE 3.01Å; H642-R646 PolarHBondContact CE1-NH1 2.87Å; H642-R646 PolarHBondContact NE2-NE 2.81Å; H642-R646 PolarHBondContact NE2-NH2 3.34Å; H642-R646 WeakPolarHBondContact O-CG 3.46Å; H642-R646 PolarHBondContact O-N 3.44Å
643D95.6Very high95.9Very high13 Ų1323.7 Ų23.77%0.0712%0.118CC..Hα-helixtrans-79.4-39.1-179.2-64-60.2000112.7L639 S640 L645 R646 V647 V748L639-D643 HydrophobicContact CD2-CB 4.2Å; S640-D643 WeakPolarHBondContact CB-OD2 3.23Å; S640-D643 PolarHBondContact O-N 3.48Å; S640-D643 PolarHBondContact OG-N 3.15Å; S640-D643 VanDerWaalsContact OG-N 3.14Å; S640-D643 PolarHBondContact OG-OD2 3.33Å; D643-L645 PolarHBondContact O-N 2.86Å; D643-R646 WeakPolarHBondContact O-CB 3.48Å; D643-R646 PolarHBondContact O-N 3.11Å; D643-R646 WeakPolarHBondContact OD1-CD 3.46Å; D643-R646 IonicContact OD1-CZ 2.86Å; D643-R646 IonicContact OD1-NE 3.59Å; D643-R646 IonicContact OD1-NH1 3.9Å; D643-R646 PolarHBondContact OD1-NH1 2.68Å; D643-V647 VanDerWaalsContact O-CG2 3.32Å; D643-V647 WeakPolarHBondContact O-CG2 3.35Å; D643-V647 PolarHBondContact O-N 2.89Å; D643-V748 HydrophobicContact CB-CG1 4.27Å
644G96.5Very high95.8Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-58.9-36.4167.800000112.2S640 V647 I648S640-G644 PolarHBondContact O-N 2.83Å; G644-V647 PolarHBondContact O-N 2.99Å; G644-I648 WeakPolarHBondContact O-CG2 3.25Å; G644-I648 PolarHBondContact O-N 3.41Å
645L97Very high95.5Very high2 Ų223.4 Ų23.41%0.0112%0.115CC..Hα-helixtrans-69.2-41.5173.5-72171.5000113.1M569 V572 I573 F602 L641 H642 D643 I648 C649M569-L645 HydrophobicContact CB-CD1 3.92Å; M569-L645 HydrophobicContact CB-CD2 4.33Å; M569-L645 HydrophobicContact CG-CD1 3.91Å; M569-L645 HydrophobicContact CG-CD2 4.47Å; M569-L645 HydrophobicContact SD-CD2 4.34Å; V572-L645 HydrophobicContact CB-CD1 3.83Å; V572-L645 HydrophobicContact CG1-CB 3.79Å; V572-L645 HydrophobicContact CG1-CD1 3.83Å; V572-L645 HydrophobicContact CG1-CG 4.44Å; V572-L645 HydrophobicContact CG2-CD1 4.38Å; I573-L645 HydrophobicContact CD1-CD2 3.77Å; I573-L645 HydrophobicContact CG1-CD2 3.62Å; F602-L645 HydrophobicContact CD1-CD2 3.7Å; F602-L645 HydrophobicContact CE1-CD2 3.35Å; F602-L645 HydrophobicContact CE1-CG 3.77Å; F602-L645 HydrophobicContact CZ-CD2 4.23Å; F602-L645 HydrophobicContact CZ-CG 4.27Å; L641-L645 HydrophobicContact CG-CD1 4.29Å; L641-L645 WeakPolarHBondContact O-CB 3.46Å; L641-L645 WeakPolarHBondContact O-CD1 3.34Å; L641-L645 WeakPolarHBondContact O-CG 3.29Å; L641-L645 PolarHBondContact O-N 3.36Å; H642-L645 PolarHBondContact O-N 2.93Å; D643-L645 PolarHBondContact O-N 2.86Å; L645-I648 HydrophobicContact CD2-CG2 4.39Å; L645-C649 WeakPolarHBondContact O-CB 3.47Å; L645-C649 PolarHBondContact O-N 3.13Å; L645-C649 PolarHBondContact O-SG 3.13Å
646R94.8Very high95.2Very high39 Ų3924 Ų2415%0.14712%0.121CC..Hα-helixtrans-55.7-50.7170.6-76162.3150156.1-7.3110.5H642 D643 R650 E747H642-R646 WeakPolarHBondContact CE1-CD 3.43Å; H642-R646 PolarHBondContact CE1-NE 3.01Å; H642-R646 PolarHBondContact CE1-NH1 2.87Å; H642-R646 PolarHBondContact NE2-NE 2.81Å; H642-R646 PolarHBondContact NE2-NH2 3.34Å; H642-R646 WeakPolarHBondContact O-CG 3.46Å; H642-R646 PolarHBondContact O-N 3.44Å; D643-R646 WeakPolarHBondContact O-CB 3.48Å; D643-R646 PolarHBondContact O-N 3.11Å; D643-R646 WeakPolarHBondContact OD1-CD 3.46Å; D643-R646 IonicContact OD1-CZ 2.86Å; D643-R646 IonicContact OD1-NE 3.59Å; D643-R646 IonicContact OD1-NH1 3.9Å; D643-R646 PolarHBondContact OD1-NH1 2.68Å; R646-R650 VanDerWaalsContact O-CB 3.22Å; R646-R650 WeakPolarHBondContact O-CB 3.4Å; R646-R650 VanDerWaalsContact O-CG 3.22Å; R646-R650 WeakPolarHBondContact O-CG 3.45Å; R646-R650 PolarHBondContact O-N 3.32Å; R646-E747 VanDerWaalsContact CZ-CD 3.41Å; R646-E747 IonicContact CZ-OE1 2.82Å; R646-E747 VanDerWaalsContact CZ-OE1 3.28Å; R646-E747 IonicContact CZ-OE2 3.14Å; R646-E747 VanDerWaalsContact NE-CD 3.35Å; R646-E747 IonicContact NE-OE1 3.2Å; R646-E747 PolarHBondContact NE-OE1 3.35Å; R646-E747 IonicContact NE-OE2 2.68Å; R646-E747 IonicContact NH2-OE1 2.71Å; R646-E747 PolarHBondContact NH2-OE1 3.21Å; R646-E747 VanDerWaalsContact NH2-OE1 3.1Å; R646-E747 IonicContact NH2-OE2 2.71Å; R646-E747 PolarHBondContact NH2-OE2 3.16Å
647V96Very high94.9Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-55.2-58.8178.2169.50000110.8A630 L639 D643 G644 C649 R651 L745 V748 W776A630-V647 HydrophobicContact CB-CG1 4.03Å; L639-V647 HydrophobicContact CD1-CG2 4.19Å; D643-V647 VanDerWaalsContact O-CG2 3.32Å; D643-V647 WeakPolarHBondContact O-CG2 3.35Å; D643-V647 PolarHBondContact O-N 2.89Å; G644-V647 PolarHBondContact O-N 2.99Å; V647-C649 PolarHBondContact O-N 3.37Å; V647-R651 WeakPolarHBondContact O-CB 3.46Å; V647-R651 PolarHBondContact O-N 3.41Å; V647-L745 HydrophobicContact CG2-CD1 4.34Å; V647-L745 HydrophobicContact CG2-CD2 4.12Å; V647-V748 HydrophobicContact CG2-CG2 4Å; V647-W776 HydrophobicContact CG1-CD2 3.52Å; V647-W776 HydrophobicContact CG1-CE3 3.73Å; V647-W776 HydrophobicContact CG1-CG 3.89Å; V647-W776 HydrophobicContact CG1-CZ2 4.37Å; V647-W776 HydrophobicContact CG1-CZ3 4.24Å; V647-W776 HydrophobicContact CG2-CD2 4.24Å; V647-W776 HydrophobicContact CG2-CG 4.19Å
648I96.6Very high94.7Very high0 Ų031.2 Ų31.20%014%0.143CC..Hα-helixtrans-67.4-40.1-173-161.268.6000112.7Q598 P599 F602 L627 A630 G644 L645 S652Q598-I648 HydrophobicContact CB-CD1 3.87Å; Q598-I648 HydrophobicContact CB-CG1 4.01Å; P599-I648 HydrophobicContact CB-CG2 4.27Å; P599-I648 HydrophobicContact CG-CG2 4.4Å; F602-I648 HydrophobicContact CB-CB 4.47Å; F602-I648 HydrophobicContact CB-CG1 3.94Å; F602-I648 HydrophobicContact CB-CG2 4.25Å; F602-I648 HydrophobicContact CD1-CG2 4.2Å; F602-I648 HydrophobicContact CD2-CB 4.1Å; F602-I648 HydrophobicContact CD2-CG1 4.3Å; F602-I648 HydrophobicContact CD2-CG2 4.1Å; F602-I648 HydrophobicContact CG-CB 4.31Å; F602-I648 HydrophobicContact CG-CG1 4.3Å; F602-I648 HydrophobicContact CG-CG2 3.94Å; L627-I648 HydrophobicContact CB-CD1 3.84Å; L627-I648 HydrophobicContact CD1-CD1 4.05Å; L627-I648 HydrophobicContact CG-CD1 4.5Å; A630-I648 HydrophobicContact CB-CD1 4.45Å; G644-I648 WeakPolarHBondContact O-CG2 3.25Å; G644-I648 PolarHBondContact O-N 3.41Å; L645-I648 HydrophobicContact CD2-CG2 4.39Å; I648-S652 VanDerWaalsContact O-CB 3.3Å; I648-S652 WeakPolarHBondContact O-CB 3.25Å; I648-S652 PolarHBondContact O-N 3.36Å; I648-S652 VanDerWaalsContact O-N 3.15Å; I648-S652 PolarHBondContact O-OG 2.99Å
649C97.1Very high94.1Very high0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-71.9-44.9-177.7-62.40000111.6E576 S577 L645 V647 S652 R653E576-C649 HydrophobicContact CB-CB 3.46Å; E576-C649 VanDerWaalsContact CB-CB 3.46Å; E576-C649 HydrophobicContact CG-CB 4.37Å; S577-C649 VanDerWaalsContact OG-CB 3.3Å; S577-C649 WeakPolarHBondContact OG-CB 3.06Å; L645-C649 WeakPolarHBondContact O-CB 3.47Å; L645-C649 PolarHBondContact O-N 3.13Å; L645-C649 PolarHBondContact O-SG 3.13Å; V647-C649 PolarHBondContact O-N 3.37Å; C649-S652 PolarHBondContact O-OG 3.05Å; C649-R653 WeakPolarHBondContact O-CB 3.43Å; C649-R653 PolarHBondContact O-N 3.36Å
650R95.5Very high93.3Very high47 Ų4736.8 Ų36.818%0.17720%0.196CC..Hα-helixtrans-73-41.2-177.6-63.7173.1-175-177.94111.9E576 R646 R653 L654 V744 L745 E747E576-R650 IonicContact OE1-NH2 2.78Å; E576-R650 IonicContact OE2-CZ 2.72Å; E576-R650 VanDerWaalsContact OE2-CZ 3.28Å; E576-R650 IonicContact OE2-NE 3.96Å; E576-R650 PolarHBondContact OE2-NE 2.75Å; E576-R650 IonicContact OE2-NH2 3.17Å; E576-R650 PolarHBondContact OE2-NH2 3.22Å; R646-R650 VanDerWaalsContact O-CB 3.22Å; R646-R650 WeakPolarHBondContact O-CB 3.4Å; R646-R650 VanDerWaalsContact O-CG 3.22Å; R646-R650 WeakPolarHBondContact O-CG 3.45Å; R646-R650 PolarHBondContact O-N 3.32Å; R650-R653 PolarHBondContact O-N 3.4Å; R650-L654 WeakPolarHBondContact O-CG 3.46Å; R650-L654 PolarHBondContact O-N 2.96Å; R650-V744 HydrophobicContact CB-CG2 3.94Å; R650-V744 WeakPolarHBondContact CD-O 3.49Å; R650-V744 PolarHBondContact NH1-O 3.07Å; R650-L745 HydrophobicContact CB-CD2 4.34Å; R650-E747 IonicContact CZ-OE1 3.28Å; R650-E747 IonicContact NH1-OE1 2.73Å; R650-E747 PolarHBondContact NH1-OE1 3.09Å; R650-E747 IonicContact NH2-OE1 2.83Å; R650-E747 PolarHBondContact NH2-OE1 3.22Å
651R94.5Very high92.5Very high2 Ų235.6 Ų35.61%0.00819%0.188CC..Hα-helixtrans-54.8-57.2172-179.8-163.8-173.5151.810.5111.3V647 R653 L654 M655 L741 N779 L780V647-R651 WeakPolarHBondContact O-CB 3.46Å; V647-R651 PolarHBondContact O-N 3.41Å; R651-R653 VanDerWaalsContact C-N 3.31Å; R651-R653 PolarHBondContact O-N 3Å; R651-L654 PolarHBondContact O-N 3.41Å; R651-L654 VanDerWaalsContact O-N 3.15Å; R651-M655 HydrophobicContact CG-SD 4.01Å; R651-M655 VanDerWaalsContact O-CG 3.32Å; R651-M655 WeakPolarHBondContact O-CG 3.47Å; R651-M655 PolarHBondContact O-N 3.48Å; R651-L741 HydrophobicContact CB-CD1 4.12Å; R651-N779 PolarHBondContact NH1-OD1 3.4Å; R651-N779 PolarHBondContact NH2-O 3.29Å; R651-N779 PolarHBondContact NH2-OD1 2.84Å; R651-L780 HydrophobicContact CG-CD2 4.33Å
652S94Very high92.2Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-66.3-32.9-175.2600000112.8I594 I648 C649 M655 S656I594-S652 WeakPolarHBondContact O-CB 3.46Å; I648-S652 VanDerWaalsContact O-CB 3.3Å; I648-S652 WeakPolarHBondContact O-CB 3.25Å; I648-S652 PolarHBondContact O-N 3.36Å; I648-S652 VanDerWaalsContact O-N 3.15Å; I648-S652 PolarHBondContact O-OG 2.99Å; C649-S652 PolarHBondContact O-OG 3.05Å; S652-M655 PolarHBondContact O-N 2.77Å; S652-S656 PolarHBondContact O-N 2.7Å
653R93.4Very high92Very high143 Ų14331 Ų3154%0.5417%0.171SC..Hα-helixtrans-70.8-28.9172.4-176.7174.3174.2172.5-1.7114.4E576 C649 R650 R651 S656E576-R653 PolarHBondContact O-NH1 3.47Å; C649-R653 WeakPolarHBondContact O-CB 3.43Å; C649-R653 PolarHBondContact O-N 3.36Å; R650-R653 PolarHBondContact O-N 3.4Å; R651-R653 VanDerWaalsContact C-N 3.31Å; R651-R653 PolarHBondContact O-N 3Å; R653-S656 PolarHBondContact O-OG 2.81Å; R653-S656 VanDerWaalsContact O-OG 3.11Å
654L93.9Very high92Very high13 Ų1330.7 Ų30.77%0.06817%0.169CC..Hα-helixtrans-75-40.6168.2-74.4175.2000111R650 R651 S656 R657 I737 E740 L741 V744R650-L654 WeakPolarHBondContact O-CG 3.46Å; R650-L654 PolarHBondContact O-N 2.96Å; R651-L654 PolarHBondContact O-N 3.41Å; R651-L654 VanDerWaalsContact O-N 3.15Å; L654-S656 VanDerWaalsContact C-N 3.28Å; L654-S656 PolarHBondContact O-N 3.04Å; L654-R657 WeakPolarHBondContact O-CB 3.24Å; L654-R657 PolarHBondContact O-N 2.9Å; L654-R657 VanDerWaalsContact O-N 3.15Å; L654-I737 HydrophobicContact CB-CB 4.42Å; L654-I737 HydrophobicContact CB-CD1 4.02Å; L654-E740 HydrophobicContact CD1-CB 4.45Å; L654-E740 HydrophobicContact CD1-CG 4.37Å; L654-E740 HydrophobicContact CD2-CB 4.49Å; L654-E740 HydrophobicContact CD2-CG 3.94Å; L654-E740 WeakPolarHBondContact CD2-OE1 3.29Å; L654-L741 HydrophobicContact CD1-CB 3.93Å; L654-L741 HydrophobicContact CD1-CD1 4.06Å; L654-V744 HydrophobicContact CD1-CG2 3.88Å
655M93.1Very high91.8Very high2 Ų230.7 Ų30.71%0.0117%0.169CC..Hα-helixtrans-59.8-34.1175.8-70.4178.377.900112.7I594 R651 S652 R657 I658 A659 V727 I737 L780I594-M655 HydrophobicContact CD1-CB 4.14Å; I594-M655 HydrophobicContact CD1-CE 3.58Å; I594-M655 HydrophobicContact CD1-SD 4.2Å; I594-M655 HydrophobicContact CG1-CB 4.49Å; I594-M655 HydrophobicContact CG2-CB 4.33Å; R651-M655 HydrophobicContact CG-SD 4.01Å; R651-M655 VanDerWaalsContact O-CG 3.32Å; R651-M655 WeakPolarHBondContact O-CG 3.47Å; R651-M655 PolarHBondContact O-N 3.48Å; S652-M655 PolarHBondContact O-N 2.77Å; M655-R657 PolarHBondContact O-N 3.45Å; M655-I658 CarbonylContact O-C 3.6Å; M655-I658 WeakPolarHBondContact O-CG1 3.32Å; M655-I658 PolarHBondContact O-N 3.02Å; M655-A659 PolarHBondContact O-N 2.8Å; M655-V727 HydrophobicContact CB-CG2 4.28Å; M655-V727 HydrophobicContact CE-CB 3.96Å; M655-V727 HydrophobicContact CE-CG1 3.82Å; M655-V727 WeakPolarHBondContact O-CG2 3.34Å; M655-I737 HydrophobicContact CG-CD1 3.99Å; M655-L780 HydrophobicContact CE-CD1 3.7Å; M655-L780 HydrophobicContact CG-CD1 4.2Å; M655-L780 HydrophobicContact CG-CD2 4.25Å; M655-L780 HydrophobicContact SD-CD1 3.56Å; M655-L780 VanDerWaalsContact SD-CD1 3.56Å; M655-L780 HydrophobicContact SD-CD2 4.46Å
656S90.2Very high91.6Very high42 Ų4232.5 Ų32.529%0.29418%0.182SC..G310 helixtrans-66-18.4178.2690000114.4S652 R653 L654 I658 A659S652-S656 PolarHBondContact O-N 2.7Å; R653-S656 PolarHBondContact O-OG 2.81Å; R653-S656 VanDerWaalsContact O-OG 3.11Å; L654-S656 VanDerWaalsContact C-N 3.28Å; L654-S656 PolarHBondContact O-N 3.04Å; S656-I658 VanDerWaalsContact C-N 3.28Å; S656-I658 PolarHBondContact O-N 3.26Å; S656-A659 WeakPolarHBondContact O-CB 3.24Å; S656-A659 PolarHBondContact O-N 3.02Å
657R90.9Very high91.5Very high147 Ų14730.7 Ų30.756%0.55518%0.175SC*.G310 helixtrans-70.4-22.3169.9-76.5164.245.7177-15.9113.8L654 M655 E740L654-R657 WeakPolarHBondContact O-CB 3.24Å; L654-R657 PolarHBondContact O-N 2.9Å; L654-R657 VanDerWaalsContact O-N 3.15Å; M655-R657 PolarHBondContact O-N 3.45Å; R657-E740 IonicContact CZ-OE1 3.78Å; R657-E740 IonicContact CZ-OE2 3.16Å; R657-E740 IonicContact NH1-OE1 2.72Å; R657-E740 PolarHBondContact NH1-OE1 3.32Å; R657-E740 IonicContact NH1-OE2 2.78Å; R657-E740 PolarHBondContact NH1-OE2 2.85Å; R657-E740 IonicContact NH2-OE2 2.77Å; R657-E740 PolarHBondContact NH2-OE2 3.22Å
658I90.3Very high91.3Very high25 Ų2534.8 Ų34.813%0.12820%0.195CC..G310 helixtrans-110.716.8177.361170.3000111.7M655 S656 G660 S661 V727 V734 I737M655-I658 CarbonylContact O-C 3.6Å; M655-I658 WeakPolarHBondContact O-CG1 3.32Å; M655-I658 PolarHBondContact O-N 3.02Å; S656-I658 VanDerWaalsContact C-N 3.28Å; S656-I658 PolarHBondContact O-N 3.26Å; I658-G660 PolarHBondContact O-N 3.47Å; I658-S661 VanDerWaalsContact O-CB 3.27Å; I658-S661 WeakPolarHBondContact O-CB 3.39Å; I658-S661 PolarHBondContact O-N 2.85Å; I658-S661 PolarHBondContact O-OG 2.87Å; I658-V727 HydrophobicContact CD1-CG1 3.72Å; I658-V727 HydrophobicContact CG1-CG1 3.91Å; I658-V727 HydrophobicContact CG1-CG2 4.2Å; I658-V734 HydrophobicContact CD1-CB 4.27Å; I658-V734 HydrophobicContact CD1-CG1 4Å; I658-I737 HydrophobicContact CD1-CD1 3.68Å; I658-I737 HydrophobicContact CD1-CG1 4.03Å; I658-I737 HydrophobicContact CG1-CD1 4.24Å; I658-I737 HydrophobicContact CG2-CG2 4.1Å
659A84.7Confident91Very high58 Ų5835.5 Ų35.548%0.47920%0.198SC..THydrogen-bonded Turntrans-57.8125.6171.800000110.6M655 S656 D726M655-A659 PolarHBondContact O-N 2.8Å; S656-A659 WeakPolarHBondContact O-CB 3.24Å; S656-A659 PolarHBondContact O-N 3.02Å; A659-D726 CarbonylContact C-O 3.5Å; A659-D726 WeakPolarHBondContact CA-O 3.47Å; A659-D726 HydrophobicContact CB-CB 4.32Å
660G79.8Confident90.7Very high65 Ų6538 Ų3867%0.6721%0.214SC*.THydrogen-bonded Turntrans93.4-1.5-170.300000115.2I658 G662 D726I658-G660 PolarHBondContact O-N 3.47Å; G660-G662 PolarHBondContact O-N 3.36Å; G660-D726 PolarHBondContact N-O 2.94Å
661S78.6Confident90.4Very high27 Ų2736.2 Ų36.219%0.18921%0.211CC..SBendtrans-82.5111175.274.70000111.9I658 A728I658-S661 VanDerWaalsContact O-CB 3.27Å; I658-S661 WeakPolarHBondContact O-CB 3.39Å; I658-S661 PolarHBondContact O-N 2.85Å; I658-S661 PolarHBondContact O-OG 2.87Å; S661-A728 WeakPolarHBondContact O-CB 3.12Å; S661-A728 PolarHBondContact O-N 2.82Å
662G88.8Confident90.1Very high17 Ų1742.7 Ų42.718%0.17524%0.241CC..  trans83.9-162.1175.500000114.2G660 G701 T703G660-G662 PolarHBondContact O-N 3.36Å; G662-G701 CarbonylContact C-O 3.52Å; G662-G701 WeakPolarHBondContact CA-O 3.33Å; G662-T703 WeakPolarHBondContact CA-OG1 3.44Å; G662-T703 PolarHBondContact O-OG1 2.84Å
663A90.9Very high89.9Confident8 Ų846.6 Ų46.67%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-151.5170.7167.800000109.5G700 G701 T703 I706A663-G700 WeakPolarHBondContact O-CA 3.2Å; A663-G701 PolarHBondContact N-O 2.66Å; A663-G701 PolarHBondContact O-N 3.36Å; A663-T703 HydrophobicContact CB-CG2 3.95Å; A663-I706 HydrophobicContact CB-CB 4.1Å; A663-I706 HydrophobicContact CB-CG1 4.33Å; A663-I706 HydrophobicContact CB-CG2 3.88Å
664M94.4Very high89.8Confident8 Ų839.8 Ų39.84%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-133.7148.8171.9-57.8-17674.100109.7V698 V699 E722 V723 V725 A728 S729M664-V698 HydrophobicContact CB-CG1 4.19Å; M664-V698 HydrophobicContact CE-CG1 3.92Å; M664-V699 CarbonylContact C-O 3.08Å; M664-V699 WeakPolarHBondContact CA-O 3.48Å; M664-E722 CarbonylContact O-C 3.17Å; M664-E722 WeakPolarHBondContact O-CA 3.29Å; M664-V723 HydrophobicContact CB-CB 4.37Å; M664-V723 PolarHBondContact O-N 2.86Å; M664-V725 HydrophobicContact CB-CG2 4.02Å; M664-V725 HydrophobicContact CG-CG2 3.92Å; M664-V725 HydrophobicContact SD-CG2 3.79Å; M664-A728 HydrophobicContact CG-CB 4.02Å; M664-S729 WeakPolarHBondContact CE-O 3.29Å
665A93.4Very high89.6Confident0 Ų043 Ų430%025%0.25CS..EExtended strand (participates in β ladder)trans-139.7132.2175.500000111.5V698 V699 I706 V710 R721A665-V698 CarbonylContact O-C 3.49Å; A665-V698 VanDerWaalsContact O-CA 3.32Å; A665-V698 WeakPolarHBondContact O-CA 3.22Å; A665-V698 WeakPolarHBondContact O-CG1 3.48Å; A665-V699 HydrophobicContact CB-CG2 4.11Å; A665-V699 PolarHBondContact N-O 3.4Å; A665-V699 WeakPolarHBondContact O-CG2 3.49Å; A665-V699 PolarHBondContact O-N 3.42Å; A665-I706 HydrophobicContact CB-CG2 3.83Å; A665-V710 HydrophobicContact CB-CG2 3.37Å; A665-R721 CarbonylContact C-O 3.53Å; A665-R721 WeakPolarHBondContact CA-O 3.46Å; A665-R721 WeakPolarHBondContact CB-O 3.49Å
666S92.6Very high89.5Confident39 Ų3945.2 Ų45.227%0.27327%0.266SS..EExtended strand (participates in β ladder)trans-79.5138.2168.753.40000109.4T697 A720 R721S666-T697 CarbonylContact C-O 3.54Å; S666-T697 WeakPolarHBondContact CA-O 3.38Å; S666-A720 CarbonylContact O-C 3.6Å; S666-A720 VanDerWaalsContact O-CA 3.3Å; S666-A720 WeakPolarHBondContact O-CA 3.47Å; S666-R721 PolarHBondContact N-O 3.3Å; S666-R721 PolarHBondContact O-N 2.87Å; S666-R721 PolarHBondContact OG-O 3.48Å
667V93.6Very high89.4Confident2 Ų244.5 Ų44.51%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-138134.817860.90000109.9L669 V674 T697 W713 V718 A720V667-L669 HydrophobicContact CG2-CB 4.12Å; V667-L669 HydrophobicContact CG2-CD1 3.96Å; V667-L669 HydrophobicContact CG2-CG 3.87Å; V667-L669 PolarHBondContact O-N 2.88Å; V667-V674 HydrophobicContact CG1-CG2 3.92Å; V667-T697 PolarHBondContact N-O 2.77Å; V667-T697 PolarHBondContact O-N 2.89Å; V667-W713 HydrophobicContact CB-CE3 4.03Å; V667-W713 HydrophobicContact CB-CH2 4.44Å; V667-W713 HydrophobicContact CB-CZ3 3.95Å; V667-W713 HydrophobicContact CG1-CH2 4.09Å; V667-W713 HydrophobicContact CG1-CZ3 4.05Å; V667-W713 HydrophobicContact CG2-CD2 3.81Å; V667-W713 HydrophobicContact CG2-CE3 3.73Å; V667-W713 HydrophobicContact CG2-CG 4.27Å; V667-W713 HydrophobicContact CG2-CH2 4.45Å; V667-W713 HydrophobicContact CG2-CZ3 4.06Å; V667-V718 HydrophobicContact CG2-CG1 3.71Å; V667-A720 HydrophobicContact CB-CB 4.35Å; V667-A720 HydrophobicContact CG2-CB 4.19Å
668E90.9Very high89.4Confident86 Ų8637.9 Ų37.940%0.40223%0.234SC..SBendtrans-81.660176.5-164.4161.6-156.800111T695 L719E668-T695 CarbonylContact C-O 3.11Å; E668-T695 VanDerWaalsContact CA-O 3.23Å; E668-T695 WeakPolarHBondContact CA-O 3.46Å; E668-L719 HydrophobicContact CB-CB 4.26Å; E668-L719 PolarHBondContact N-O 3.15Å
669L90.7Very high89.3Confident14 Ų1440.4 Ų40.47%0.07326%0.258CS..SBendtrans-134.1147.8173.5-70.6179.2000111.7V667 V674 T695 T697 V718V667-L669 HydrophobicContact CG2-CB 4.12Å; V667-L669 HydrophobicContact CG2-CD1 3.96Å; V667-L669 HydrophobicContact CG2-CG 3.87Å; V667-L669 PolarHBondContact O-N 2.88Å; L669-V674 HydrophobicContact CB-CG2 3.68Å; L669-V674 HydrophobicContact CD1-CG2 4.33Å; L669-T695 CarbonylContact C-O 3.01Å; L669-T695 PolarHBondContact N-O 2.89Å; L669-T697 WeakPolarHBondContact O-CG2 3.46Å; L669-T697 PolarHBondContact O-OG1 2.87Å; L669-V718 HydrophobicContact CD1-CG1 3.87Å; L669-V718 HydrophobicContact CD2-CG1 4Å; L669-V718 HydrophobicContact CD2-CG2 4.21Å; L669-V718 HydrophobicContact CG-CG1 3.64Å
670P90.5Very high89.5Confident53 Ų5344.6 Ų44.634%0.34427%0.271SS..  trans-59.4139171.2-21.432.4000112.3Q672 Q673 V674 P694P670-Q672 PolarHBondContact O-N 3.21Å; P670-Q672 VanDerWaalsContact O-N 3.13Å; P670-Q673 WeakPolarHBondContact O-CA 3.48Å; P670-Q673 WeakPolarHBondContact O-CB 3.47Å; P670-Q673 PolarHBondContact O-N 3.21Å; P670-V674 PolarHBondContact O-N 2.91Å; P670-V674 VanDerWaalsContact O-N 3.08Å; P670-P694 VanDerWaalsContact CA-O 3.27Å; P670-P694 WeakPolarHBondContact CA-O 3.36Å; P670-P694 VanDerWaalsContact CB-O 3.3Å; P670-P694 WeakPolarHBondContact CB-O 3.44Å; P670-P694 WeakPolarHBondContact CG-O 3.06Å
671G88.2Confident89.9Confident10 Ų1045.4 Ų45.410%0.10325%0.254CS..Hα-helixtrans-56.9-34.7-176.700000114.2Q673 V674 L675G671-Q673 PolarHBondContact O-N 3.36Å; G671-V674 PolarHBondContact O-N 2.93Å; G671-L675 WeakPolarHBondContact O-CG 3.24Å; G671-L675 PolarHBondContact O-N 3.23Å
672Q88.2Confident90.3Very high137 Ų13747 Ų4764%0.6428%0.275SS*.Hα-helixtrans-67.6-33.7176.7-171.559.326.800112.6P670 S676P670-Q672 PolarHBondContact O-N 3.21Å; P670-Q672 VanDerWaalsContact O-N 3.13Å; Q672-S676 WeakPolarHBondContact O-CB 3.36Å; Q672-S676 PolarHBondContact O-N 3Å; Q672-S676 VanDerWaalsContact O-N 3.1Å; Q672-S676 PolarHBondContact O-OG 3.15Å
673Q90.6Very high90.3Very high83 Ų8348.2 Ų48.239%0.38828%0.277SS..Hα-helixtrans-68.2-46.5171.9178.8178.3-22.800110.3P670 G671 L675 S676 E677P670-Q673 WeakPolarHBondContact O-CA 3.48Å; P670-Q673 WeakPolarHBondContact O-CB 3.47Å; P670-Q673 PolarHBondContact O-N 3.21Å; G671-Q673 PolarHBondContact O-N 3.36Å; Q673-L675 PolarHBondContact O-N 2.84Å; Q673-S676 CarbonylContact O-C 3.53Å; Q673-S676 WeakPolarHBondContact O-CA 3.13Å; Q673-S676 WeakPolarHBondContact O-CB 3.49Å; Q673-S676 PolarHBondContact O-N 2.94Å; Q673-E677 HydrophobicContact CG-CG 4.44Å; Q673-E677 PolarHBondContact NE2-OE1 3.47Å; Q673-E677 PolarHBondContact O-N 3.4Å
674V91.5Very high90.2Very high0 Ų053.2 Ų53.20%031%0.311CS..Hα-helixtrans-59.3-44.1178.9175.80000111.6V667 L669 P670 G671 S676 E677 L678 L688 V699 W713V667-V674 HydrophobicContact CG1-CG2 3.92Å; L669-V674 HydrophobicContact CB-CG2 3.68Å; L669-V674 HydrophobicContact CD1-CG2 4.33Å; P670-V674 PolarHBondContact O-N 2.91Å; P670-V674 VanDerWaalsContact O-N 3.08Å; G671-V674 PolarHBondContact O-N 2.93Å; V674-S676 VanDerWaalsContact C-N 3.31Å; V674-S676 PolarHBondContact O-N 3.19Å; V674-E677 PolarHBondContact O-N 2.89Å; V674-L678 HydrophobicContact CG1-CD1 4.2Å; V674-L678 VanDerWaalsContact O-CG 3.29Å; V674-L678 WeakPolarHBondContact O-CG 3.43Å; V674-L678 PolarHBondContact O-N 2.64Å; V674-L688 HydrophobicContact CB-CD2 4.04Å; V674-L688 HydrophobicContact CG1-CD2 3.73Å; V674-V699 HydrophobicContact CG1-CG1 3.4Å; V674-V699 VanDerWaalsContact CG1-CG1 3.4Å; V674-W713 HydrophobicContact CG1-CH2 4.23Å; V674-W713 HydrophobicContact CG1-CZ2 4.29Å
675L90.3Very high90.1Very high79 Ų7955.9 Ų55.941%0.41433%0.326SS..Hα-helixtrans-60.1-40.6172.7-73.1171.9000112.3G671 Q673 A679 L688G671-L675 WeakPolarHBondContact O-CG 3.24Å; G671-L675 PolarHBondContact O-N 3.23Å; Q673-L675 PolarHBondContact O-N 2.84Å; L675-A679 WeakPolarHBondContact O-CB 3.32Å; L675-A679 PolarHBondContact O-N 3.17Å; L675-L688 HydrophobicContact CD1-CD1 3.84Å; L675-L688 HydrophobicContact CD2-CD1 4.06Å; L675-L688 HydrophobicContact CD2-CG 4.05Å; L675-L688 HydrophobicContact CG-CD1 3.65Å; L675-L688 HydrophobicContact CG-CG 4.05Å
676S89.5Confident90.2Very high50 Ų5056.1 Ų56.135%0.3533%0.327SS..Hα-helixtrans-66.3-41.6178-57.60000111.5Q672 Q673 V674 A679 I680Q672-S676 WeakPolarHBondContact O-CB 3.36Å; Q672-S676 PolarHBondContact O-N 3Å; Q672-S676 VanDerWaalsContact O-N 3.1Å; Q672-S676 PolarHBondContact O-OG 3.15Å; Q673-S676 CarbonylContact O-C 3.53Å; Q673-S676 WeakPolarHBondContact O-CA 3.13Å; Q673-S676 WeakPolarHBondContact O-CB 3.49Å; Q673-S676 PolarHBondContact O-N 2.94Å; V674-S676 VanDerWaalsContact C-N 3.31Å; V674-S676 PolarHBondContact O-N 3.19Å; S676-A679 PolarHBondContact O-N 3.45Å; S676-I680 WeakPolarHBondContact O-CB 3.44Å; S676-I680 WeakPolarHBondContact O-CD1 3.46Å; S676-I680 WeakPolarHBondContact O-CG1 3.25Å; S676-I680 PolarHBondContact O-N 3.01Å
677E89.2Confident90.2Very high26 Ų2656.3 Ų56.312%0.12133%0.326CS..Hα-helixtrans-67.4-41.5176.1-76-172.1-133.200112.8Q673 V674 A679 I680 R681 W713Q673-E677 HydrophobicContact CG-CG 4.44Å; Q673-E677 PolarHBondContact NE2-OE1 3.47Å; Q673-E677 PolarHBondContact O-N 3.4Å; V674-E677 PolarHBondContact O-N 2.89Å; E677-A679 VanDerWaalsContact C-N 3.31Å; E677-A679 PolarHBondContact O-N 3.04Å; E677-I680 PolarHBondContact O-N 3.02Å; E677-R681 VanDerWaalsContact O-CB 3.24Å; E677-R681 WeakPolarHBondContact O-CB 3.17Å; E677-R681 WeakPolarHBondContact O-CD 3.3Å; E677-R681 WeakPolarHBondContact O-CG 3.32Å; E677-R681 PolarHBondContact O-N 3.13Å; E677-R681 IonicContact OE2-CZ 3.87Å; E677-R681 IonicContact OE2-NE 3.29Å; E677-R681 IonicContact OE2-NH2 3.82Å; E677-R681 PolarHBondContact OE2-NH2 2.94Å; E677-W713 PolarHBondContact OE2-NE1 3.15Å
678L91.3Very high90.2Very high9 Ų956.9 Ų56.95%0.04733%0.329CS..Hα-helixtrans-57.9-45.5173.2-71.4170.4000110.7V674 G682 I683 V686 L709V674-L678 HydrophobicContact CG1-CD1 4.2Å; V674-L678 VanDerWaalsContact O-CG 3.29Å; V674-L678 WeakPolarHBondContact O-CG 3.43Å; V674-L678 PolarHBondContact O-N 2.64Å; L678-G682 PolarHBondContact O-N 3.44Å; L678-I683 HydrophobicContact CD2-CB 3.91Å; L678-I683 HydrophobicContact CD2-CD1 4.33Å; L678-I683 HydrophobicContact CD2-CG2 3.77Å; L678-I683 PolarHBondContact O-N 2.79Å; L678-V686 HydrophobicContact CD1-CG1 4.4Å; L678-V686 HydrophobicContact CD2-CB 3.93Å; L678-V686 HydrophobicContact CD2-CG1 3.86Å; L678-L709 HydrophobicContact CD2-CD1 3.67Å; L678-L709 HydrophobicContact CD2-CD2 4.42Å
679A88Confident90.4Very high77 Ų7752.8 Ų52.864%0.63631%0.31SS*.Hα-helixtrans-64.9-45176.800000113L675 S676 E677 G682L675-A679 WeakPolarHBondContact O-CB 3.32Å; L675-A679 PolarHBondContact O-N 3.17Å; S676-A679 PolarHBondContact O-N 3.45Å; E677-A679 VanDerWaalsContact C-N 3.31Å; E677-A679 PolarHBondContact O-N 3.04Å; A679-G682 PolarHBondContact O-N 3.47Å
680I88.2Confident90.6Very high146 Ų14652.5 Ų52.575%0.74931%0.309SS*.Hα-helixtrans-64.4-39.5178.5-72.1163.5000111.5S676 E677 G682S676-I680 WeakPolarHBondContact O-CB 3.44Å; S676-I680 WeakPolarHBondContact O-CD1 3.46Å; S676-I680 WeakPolarHBondContact O-CG1 3.25Å; S676-I680 PolarHBondContact O-N 3.01Å; E677-I680 PolarHBondContact O-N 3.02Å; I680-G682 VanDerWaalsContact C-N 3.26Å; I680-G682 PolarHBondContact O-N 2.87Å
681R88.2Confident90.8Very high83 Ų8351.7 Ų51.731%0.31330%0.303SS..Hα-helixtrans-77.9-8.9177.1-63169-169.9-131.212.3112.8E677 I683 A712E677-R681 VanDerWaalsContact O-CB 3.24Å; E677-R681 WeakPolarHBondContact O-CB 3.17Å; E677-R681 WeakPolarHBondContact O-CD 3.3Å; E677-R681 WeakPolarHBondContact O-CG 3.32Å; E677-R681 PolarHBondContact O-N 3.13Å; E677-R681 IonicContact OE2-CZ 3.87Å; E677-R681 IonicContact OE2-NE 3.29Å; E677-R681 IonicContact OE2-NH2 3.82Å; E677-R681 PolarHBondContact OE2-NH2 2.94Å; R681-I683 VanDerWaalsContact C-N 3.32Å; R681-I683 HydrophobicContact CB-CD1 3.65Å; R681-I683 HydrophobicContact CB-CG1 3.8Å; R681-I683 HydrophobicContact CG-CD1 4.41Å; R681-A712 VanDerWaalsContact NH1-CB 3.28Å
682G86.6Confident91Very high60 Ų6051.7 Ų51.762%0.61930%0.302SS*.THydrogen-bonded Turntrans72.420.6-178.600000114.6L678 A679 I680L678-G682 PolarHBondContact O-N 3.44Å; A679-G682 PolarHBondContact O-N 3.47Å; I680-G682 VanDerWaalsContact C-N 3.26Å; I680-G682 PolarHBondContact O-N 2.87Å
683I90.2Very high91.2Very high43 Ų4345.2 Ų45.222%0.22127%0.272CS..  trans-84.2123-174.9-60.4171.3000108.9L678 R681 D685 V686 L709L678-I683 HydrophobicContact CD2-CB 3.91Å; L678-I683 HydrophobicContact CD2-CD1 4.33Å; L678-I683 HydrophobicContact CD2-CG2 3.77Å; L678-I683 PolarHBondContact O-N 2.79Å; R681-I683 VanDerWaalsContact C-N 3.32Å; R681-I683 HydrophobicContact CB-CD1 3.65Å; R681-I683 HydrophobicContact CB-CG1 3.8Å; R681-I683 HydrophobicContact CG-CD1 4.41Å; I683-D685 WeakPolarHBondContact CG2-OD1 3.16Å; I683-V686 HydrophobicContact CG2-CB 3.81Å; I683-V686 HydrophobicContact CG2-CG2 3.91Å; I683-L709 HydrophobicContact CD1-CD1 4.17Å; I683-L709 HydrophobicContact CD1-CD2 3.74Å; I683-L709 HydrophobicContact CD1-CG 3.95Å
684S89.1Confident91Very high113 Ų11343.6 Ų43.679%0.7927%0.268SS*.  trans-124.7-4.2-174.352.30000114.2
685D91.6Very high90.9Very high64 Ų6446.5 Ų46.534%0.34229%0.286SS..SBendtrans-103.58.9178.663.8-26.9000112.9I683 G701 A702 S705I683-D685 WeakPolarHBondContact CG2-OD1 3.16Å; D685-G701 CarbonylContact O-C 3.5Å; D685-G701 WeakPolarHBondContact O-CA 3.38Å; D685-A702 HydrophobicContact CB-CB 4.18Å; D685-A702 PolarHBondContact O-N 3.35Å; D685-A702 WeakPolarHBondContact OD2-CB 3.49Å; D685-S705 PolarHBondContact OD1-OG 3.04Å; D685-S705 WeakPolarHBondContact OD2-CB 3.13Å; D685-S705 PolarHBondContact OD2-OG 2.78Å
686V94.2Very high91Very high5 Ų544.4 Ų44.43%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-130.2139.7173.8177.20000109.2L678 I683 V699 G700 I706 L709L678-V686 HydrophobicContact CD1-CG1 4.4Å; L678-V686 HydrophobicContact CD2-CB 3.93Å; L678-V686 HydrophobicContact CD2-CG1 3.86Å; I683-V686 HydrophobicContact CG2-CB 3.81Å; I683-V686 HydrophobicContact CG2-CG2 3.91Å; V686-V699 HydrophobicContact CG1-CB 3.82Å; V686-V699 HydrophobicContact CG1-CG1 4.28Å; V686-V699 HydrophobicContact CG1-CG2 4.45Å; V686-G700 WeakPolarHBondContact CA-O 3.41Å; V686-I706 HydrophobicContact CB-CD1 4.49Å; V686-I706 HydrophobicContact CG1-CD1 3.67Å; V686-I706 HydrophobicContact CG2-CD1 4.01Å; V686-I706 HydrophobicContact CG2-CG1 4.12Å; V686-L709 HydrophobicContact CB-CD1 4.23Å; V686-L709 HydrophobicContact CG1-CD1 3.85Å; V686-L709 HydrophobicContact CG2-CD1 4.12Å
687V94Very high91.2Very high43 Ų4342 Ų4226%0.26126%0.261SS..EExtended strand (participates in β ladder)trans-133.5165.3178.6-60.80000111.4S689 V699 G700 T731V687-S689 PolarHBondContact O-N 3.37Å; V687-V699 CarbonylContact O-C 3.55Å; V687-V699 VanDerWaalsContact O-CA 3.29Å; V687-V699 WeakPolarHBondContact O-CA 3.42Å; V687-G700 PolarHBondContact N-O 3.5Å; V687-G700 PolarHBondContact O-N 3.41Å; V687-T731 HydrophobicContact CG2-CG2 4.06Å
688L93.6Very high91.5Very high13 Ų1341.9 Ų41.97%0.06826%0.262CS..EExtended strand (participates in β ladder)trans-67.6126.3161.4-78-177.1000110.2V674 L675 V691 V699 T783V674-L688 HydrophobicContact CB-CD2 4.04Å; V674-L688 HydrophobicContact CG1-CD2 3.73Å; L675-L688 HydrophobicContact CD1-CD1 3.84Å; L675-L688 HydrophobicContact CD2-CD1 4.06Å; L675-L688 HydrophobicContact CD2-CG 4.05Å; L675-L688 HydrophobicContact CG-CD1 3.65Å; L675-L688 HydrophobicContact CG-CG 4.05Å; L688-V691 HydrophobicContact CD1-CG2 4.07Å; L688-V699 HydrophobicContact CD2-CG1 4.24Å; L688-T783 HydrophobicContact CB-CG2 3.88Å; L688-T783 WeakPolarHBondContact O-CB 3.44Å; L688-T783 WeakPolarHBondContact O-CG2 3.46Å; L688-T783 PolarHBondContact O-OG1 2.85Å
689S94.7Very high91.7Very high0 Ų041.4 Ų41.40%026%0.26CS..EExtended strand (participates in β ladder)trans-107.4-31.5178.2-67.30000113.1V687 V698 G700 H730 T731 T783 V784V687-S689 PolarHBondContact O-N 3.37Å; S689-V698 WeakPolarHBondContact CA-O 3.2Å; S689-V698 PolarHBondContact N-O 3.3Å; S689-G700 WeakPolarHBondContact OG-CA 3.19Å; S689-G700 PolarHBondContact OG-N 2.97Å; S689-H730 WeakPolarHBondContact O-CB 3.39Å; S689-H730 PolarHBondContact OG-O 3.31Å; S689-T731 VanDerWaalsContact OG-CG2 3.23Å; S689-T731 WeakPolarHBondContact OG-CG2 3.41Å; S689-T783 WeakPolarHBondContact O-CA 3.45Å; S689-V784 PolarHBondContact O-N 2.82Å
690V95.3Very high92Very high9 Ų937.8 Ų37.86%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-141.6138.1174.5-173.60000109.9H625 A692 T697 V698 V784H625-V690 WeakPolarHBondContact NE2-CG1 3.35Å; V690-A692 HydrophobicContact CG1-CB 4.11Å; V690-T697 CarbonylContact O-C 3.6Å; V690-T697 WeakPolarHBondContact O-CA 3.22Å; V690-T697 WeakPolarHBondContact O-CB 3.28Å; V690-V698 HydrophobicContact CB-CB 3.8Å; V690-V698 HydrophobicContact CB-CG2 3.87Å; V690-V698 HydrophobicContact CG2-CB 3.96Å; V690-V698 HydrophobicContact CG2-CG2 4.12Å; V690-V698 PolarHBondContact N-O 2.78Å; V690-V698 VanDerWaalsContact N-O 3.07Å; V690-V698 PolarHBondContact O-N 3.45Å; V690-V784 HydrophobicContact CB-CB 4.46Å; V690-V784 HydrophobicContact CG1-CB 4.22Å; V690-V784 HydrophobicContact CG2-CB 4.23Å; V690-V784 HydrophobicContact CG2-CG2 4.48Å
691V95.1Very high92.2Very high36 Ų3630.8 Ų30.822%0.21819%0.194CC..EExtended strand (participates in β ladder)trans-115.196.7161.6-177.60000107.1L688 T697 T783 V784 F786 A787L688-V691 HydrophobicContact CD1-CG2 4.07Å; V691-T697 HydrophobicContact CB-CG2 4.38Å; V691-T697 HydrophobicContact CG1-CG2 4.18Å; V691-T697 HydrophobicContact CG2-CG2 4.18Å; V691-T783 HydrophobicContact CG2-CG2 4.03Å; V691-V784 PolarHBondContact N-O 3.39Å; V691-F786 PolarHBondContact O-N 2.92Å; V691-A787 HydrophobicContact CG1-CB 4.02Å; V691-A787 WeakPolarHBondContact O-CB 3.45Å; V691-A787 PolarHBondContact O-N 2.99Å
692A91.2Very high92.4Very high10 Ų1028 Ų288%0.08319%0.188CC..  trans-85.4-41.5-17300000111.2V690 S696 A787 A813 N817V690-A692 HydrophobicContact CG1-CB 4.11Å; A692-S696 PolarHBondContact N-O 2.61Å; A692-A787 WeakPolarHBondContact O-CA 3.3Å; A692-A787 PolarHBondContact O-N 3.22Å; A692-A813 HydrophobicContact CB-CB 4.05Å; A692-N817 PolarHBondContact O-ND2 3.11Å
693S92.1Very high92.5Very high0 Ų027.1 Ų27.10%017%0.171CC..SBendtrans-145.2178.7175.277.30000110.2T695 S696 Q816S693-T695 PolarHBondContact O-N 2.9Å; S693-T695 PolarHBondContact OG-N 2.93Å; S693-T695 PolarHBondContact OG-OG1 3.09Å; S693-S696 PolarHBondContact N-O 3.12Å; S693-S696 VanDerWaalsContact OG-CB 3.32Å; S693-S696 WeakPolarHBondContact OG-CB 3.36Å; S693-S696 PolarHBondContact OG-N 3.18Å; S693-Q816 VanDerWaalsContact CB-OE1 3.3Å; S693-Q816 PolarHBondContact OG-OE1 3.38Å
694P87.9Confident92.5Very high49 Ų4930.7 Ų30.732%0.31819%0.187SC..SBendtrans-63.9-20.5173.5-24.637.5000114.3P670P670-P694 VanDerWaalsContact CA-O 3.27Å; P670-P694 WeakPolarHBondContact CA-O 3.36Å; P670-P694 VanDerWaalsContact CB-O 3.3Å; P670-P694 WeakPolarHBondContact CB-O 3.44Å; P670-P694 WeakPolarHBondContact CG-O 3.06Å
695T89.1Confident92.6Very high61 Ų6126.5 Ų26.537%0.37416%0.157SC..SBendtrans-111.8-15-178.247.80000113.8E668 L669 S693 Q816E668-T695 CarbonylContact C-O 3.11Å; E668-T695 VanDerWaalsContact CA-O 3.23Å; E668-T695 WeakPolarHBondContact CA-O 3.46Å; L669-T695 CarbonylContact C-O 3.01Å; L669-T695 PolarHBondContact N-O 2.89Å; S693-T695 PolarHBondContact O-N 2.9Å; S693-T695 PolarHBondContact OG-N 2.93Å; S693-T695 PolarHBondContact OG-OG1 3.09Å; T695-Q816 VanDerWaalsContact OG1-CD 3.24Å; T695-Q816 PolarHBondContact OG1-NE2 3.02Å; T695-Q816 VanDerWaalsContact OG1-NE2 3.12Å; T695-Q816 PolarHBondContact OG1-OE1 3.29Å
696S91Very high92.7Very high35 Ų3523.4 Ų23.425%0.24514%0.141CC..  trans-122.8119-174.8-173.80000112A692 S693A692-S696 PolarHBondContact N-O 2.61Å; S693-S696 PolarHBondContact N-O 3.12Å; S693-S696 VanDerWaalsContact OG-CB 3.32Å; S693-S696 WeakPolarHBondContact OG-CB 3.36Å; S693-S696 PolarHBondContact OG-N 3.18Å
697T94.9Very high92.6Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-132.9163.5178.260.30000112.3S666 V667 L669 V690 V691S666-T697 CarbonylContact C-O 3.54Å; S666-T697 WeakPolarHBondContact CA-O 3.38Å; V667-T697 PolarHBondContact N-O 2.77Å; V667-T697 PolarHBondContact O-N 2.89Å; L669-T697 WeakPolarHBondContact O-CG2 3.46Å; L669-T697 PolarHBondContact O-OG1 2.87Å; V690-T697 CarbonylContact O-C 3.6Å; V690-T697 WeakPolarHBondContact O-CA 3.22Å; V690-T697 WeakPolarHBondContact O-CB 3.28Å; V691-T697 HydrophobicContact CB-CG2 4.38Å; V691-T697 HydrophobicContact CG1-CG2 4.18Å; V691-T697 HydrophobicContact CG2-CG2 4.18Å
698V94.7Very high92.5Very high23 Ų2330.9 Ų30.914%0.13917%0.171CC..EExtended strand (participates in β ladder)trans-125.7126.6175.3-174.40000108.6M664 A665 S689 V690 V723M664-V698 HydrophobicContact CB-CG1 4.19Å; M664-V698 HydrophobicContact CE-CG1 3.92Å; A665-V698 CarbonylContact O-C 3.49Å; A665-V698 VanDerWaalsContact O-CA 3.32Å; A665-V698 WeakPolarHBondContact O-CA 3.22Å; A665-V698 WeakPolarHBondContact O-CG1 3.48Å; S689-V698 WeakPolarHBondContact CA-O 3.2Å; S689-V698 PolarHBondContact N-O 3.3Å; V690-V698 HydrophobicContact CB-CB 3.8Å; V690-V698 HydrophobicContact CB-CG2 3.87Å; V690-V698 HydrophobicContact CG2-CB 3.96Å; V690-V698 HydrophobicContact CG2-CG2 4.12Å; V690-V698 PolarHBondContact N-O 2.78Å; V690-V698 VanDerWaalsContact N-O 3.07Å; V690-V698 PolarHBondContact O-N 3.45Å; V698-V723 HydrophobicContact CG1-CG2 4.32Å
699V95.5Very high92.5Very high0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-93.8152168.3-71.90000111M664 A665 V674 V686 V687 L688 I706 W713M664-V699 CarbonylContact C-O 3.08Å; M664-V699 WeakPolarHBondContact CA-O 3.48Å; A665-V699 HydrophobicContact CB-CG2 4.11Å; A665-V699 PolarHBondContact N-O 3.4Å; A665-V699 WeakPolarHBondContact O-CG2 3.49Å; A665-V699 PolarHBondContact O-N 3.42Å; V674-V699 HydrophobicContact CG1-CG1 3.4Å; V674-V699 VanDerWaalsContact CG1-CG1 3.4Å; V686-V699 HydrophobicContact CG1-CB 3.82Å; V686-V699 HydrophobicContact CG1-CG1 4.28Å; V686-V699 HydrophobicContact CG1-CG2 4.45Å; V687-V699 CarbonylContact O-C 3.55Å; V687-V699 VanDerWaalsContact O-CA 3.29Å; V687-V699 WeakPolarHBondContact O-CA 3.42Å; L688-V699 HydrophobicContact CD2-CG1 4.24Å; V699-I706 HydrophobicContact CB-CD1 4.1Å; V699-I706 HydrophobicContact CG2-CD1 3.77Å; V699-W713 HydrophobicContact CG1-CH2 4.16Å; V699-W713 HydrophobicContact CG2-CH2 4.03Å; V699-W713 HydrophobicContact CG2-CZ3 3.9Å
700G94Very high92.4Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-146.1148174.300000111.6A663 V686 V687 S689 T731A663-G700 WeakPolarHBondContact O-CA 3.2Å; V686-G700 WeakPolarHBondContact CA-O 3.41Å; V687-G700 PolarHBondContact N-O 3.5Å; V687-G700 PolarHBondContact O-N 3.41Å; S689-G700 WeakPolarHBondContact OG-CA 3.19Å; S689-G700 PolarHBondContact OG-N 2.97Å; G700-T731 VanDerWaalsContact CA-CG2 3.47Å; G700-T731 WeakPolarHBondContact O-CG2 3.41Å
701G93.9Very high92.2Very high0 Ų032.3 Ų32.30%018%0.184CC..EExtended strand (participates in β ladder)trans167.3-152.1-174.700000113.9G662 A663 D685G662-G701 CarbonylContact C-O 3.52Å; G662-G701 WeakPolarHBondContact CA-O 3.33Å; A663-G701 PolarHBondContact N-O 2.66Å; A663-G701 PolarHBondContact O-N 3.36Å; D685-G701 CarbonylContact O-C 3.5Å; D685-G701 WeakPolarHBondContact O-CA 3.38Å
702A90.7Very high91.9Very high23 Ų2331.5 Ų31.519%0.1918%0.181CC..  trans-62.4135.217600000112D685 Q704 S705 I706D685-A702 HydrophobicContact CB-CB 4.18Å; D685-A702 PolarHBondContact O-N 3.35Å; D685-A702 WeakPolarHBondContact OD2-CB 3.49Å; A702-Q704 VanDerWaalsContact C-N 3.31Å; A702-Q704 PolarHBondContact O-N 3.26Å; A702-S705 PolarHBondContact O-N 3.06Å; A702-I706 WeakPolarHBondContact O-CG1 3.39Å; A702-I706 PolarHBondContact O-N 3.47Å
703T89.2Confident92Very high42 Ų4231 Ų3126%0.25818%0.177SC..Hα-helixtrans-58.3-37.1-170.2-42.20000113.7G662 A663 R707G662-T703 WeakPolarHBondContact CA-OG1 3.44Å; G662-T703 PolarHBondContact O-OG1 2.84Å; A663-T703 HydrophobicContact CB-CG2 3.95Å; T703-R707 WeakPolarHBondContact O-CG 3.48Å; T703-R707 PolarHBondContact O-N 3.36Å
704Q89.8Confident92Very high118 Ų11836.6 Ų36.655%0.55120%0.203SC*.Hα-helixtrans-72.4-50.5179.3-171.560.647.500111.1A702 I706 R707 D708A702-Q704 VanDerWaalsContact C-N 3.31Å; A702-Q704 PolarHBondContact O-N 3.26Å; Q704-I706 VanDerWaalsContact C-N 3.25Å; Q704-I706 PolarHBondContact O-N 3.35Å; Q704-R707 WeakPolarHBondContact O-CA 3.16Å; Q704-R707 PolarHBondContact O-N 2.73Å; Q704-D708 PolarHBondContact NE2-OD1 2.84Å; Q704-D708 VanDerWaalsContact O-CG 3.32Å; Q704-D708 PolarHBondContact O-N 3.25Å
705S92.4Very high92Very high25 Ų2542 Ų4218%0.17522%0.224CC..Hα-helixtrans-59.3-34.5-179.8-45.60000112.4D685 A702 L709D685-S705 PolarHBondContact OD1-OG 3.04Å; D685-S705 WeakPolarHBondContact OD2-CB 3.13Å; D685-S705 PolarHBondContact OD2-OG 2.78Å; A702-S705 PolarHBondContact O-N 3.06Å; S705-L709 WeakPolarHBondContact O-CB 3.38Å; S705-L709 WeakPolarHBondContact O-CD1 3.33Å; S705-L709 VanDerWaalsContact O-CG 3.3Å; S705-L709 WeakPolarHBondContact O-CG 3.28Å; S705-L709 PolarHBondContact O-N 3.38Å
706I92.7Very high92Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-64.2-44.6170.6-69.9-72.8000112.1A663 A665 V686 V699 A702 Q704 L709 V710A663-I706 HydrophobicContact CB-CB 4.1Å; A663-I706 HydrophobicContact CB-CG1 4.33Å; A663-I706 HydrophobicContact CB-CG2 3.88Å; A665-I706 HydrophobicContact CB-CG2 3.83Å; V686-I706 HydrophobicContact CB-CD1 4.49Å; V686-I706 HydrophobicContact CG1-CD1 3.67Å; V686-I706 HydrophobicContact CG2-CD1 4.01Å; V686-I706 HydrophobicContact CG2-CG1 4.12Å; V699-I706 HydrophobicContact CB-CD1 4.1Å; V699-I706 HydrophobicContact CG2-CD1 3.77Å; A702-I706 WeakPolarHBondContact O-CG1 3.39Å; A702-I706 PolarHBondContact O-N 3.47Å; Q704-I706 VanDerWaalsContact C-N 3.25Å; Q704-I706 PolarHBondContact O-N 3.35Å; I706-L709 PolarHBondContact O-N 3.05Å; I706-V710 WeakPolarHBondContact O-CG2 3.17Å; I706-V710 PolarHBondContact O-N 3.46Å
707R92.9Very high91.8Very high114 Ų11450.3 Ų50.343%0.4326%0.26SS..Hα-helixtrans-70.6-37.2179.6-72.7176.2-178.3146.211.6112.5T703 Q704 L709 V710 A711 E722T703-R707 WeakPolarHBondContact O-CG 3.48Å; T703-R707 PolarHBondContact O-N 3.36Å; Q704-R707 WeakPolarHBondContact O-CA 3.16Å; Q704-R707 PolarHBondContact O-N 2.73Å; R707-L709 VanDerWaalsContact C-N 3.29Å; R707-L709 PolarHBondContact O-N 2.72Å; R707-V710 PolarHBondContact O-N 3.44Å; R707-A711 WeakPolarHBondContact O-CB 3.1Å; R707-A711 PolarHBondContact O-N 2.73Å; R707-E722 WeakPolarHBondContact CG-OE2 3.36Å; R707-E722 IonicContact CZ-OE1 2.71Å; R707-E722 IonicContact CZ-OE2 2.75Å; R707-E722 IonicContact NE-OE1 3.61Å; R707-E722 PolarHBondContact NE-OE1 2.9Å; R707-E722 IonicContact NE-OE2 3.1Å; R707-E722 PolarHBondContact NE-OE2 2.98Å; R707-E722 IonicContact NH2-OE1 3.28Å; R707-E722 PolarHBondContact NH2-OE1 2.9Å; R707-E722 IonicContact NH2-OE2 2.79Å; R707-E722 PolarHBondContact NH2-OE2 3.19Å
708D92.1Very high91.6Very high91 Ų9151.5 Ų51.549%0.48727%0.268SS..Hα-helixtrans-66.1-33.9174.8-63.6-17000111.1Q704 A712Q704-D708 PolarHBondContact NE2-OD1 2.84Å; Q704-D708 VanDerWaalsContact O-CG 3.32Å; Q704-D708 PolarHBondContact O-N 3.25Å; D708-A712 WeakPolarHBondContact O-CB 3.26Å; D708-A712 PolarHBondContact O-N 2.98Å
709L93.2Very high91.3Very high2 Ų256.2 Ų56.21%0.0129%0.291CS..Hα-helixtrans-67.9-51170.5-80.8166.4000112.5L678 I683 V686 S705 I706 R707 A711 A712 W713L678-L709 HydrophobicContact CD2-CD1 3.67Å; L678-L709 HydrophobicContact CD2-CD2 4.42Å; I683-L709 HydrophobicContact CD1-CD1 4.17Å; I683-L709 HydrophobicContact CD1-CD2 3.74Å; I683-L709 HydrophobicContact CD1-CG 3.95Å; V686-L709 HydrophobicContact CB-CD1 4.23Å; V686-L709 HydrophobicContact CG1-CD1 3.85Å; V686-L709 HydrophobicContact CG2-CD1 4.12Å; S705-L709 WeakPolarHBondContact O-CB 3.38Å; S705-L709 WeakPolarHBondContact O-CD1 3.33Å; S705-L709 VanDerWaalsContact O-CG 3.3Å; S705-L709 WeakPolarHBondContact O-CG 3.28Å; S705-L709 PolarHBondContact O-N 3.38Å; I706-L709 PolarHBondContact O-N 3.05Å; R707-L709 VanDerWaalsContact C-N 3.29Å; R707-L709 PolarHBondContact O-N 2.72Å; L709-A711 PolarHBondContact O-N 3.43Å; L709-A712 CarbonylContact O-C 3.45Å; L709-A712 PolarHBondContact O-N 3.43Å; L709-A712 VanDerWaalsContact O-N 3.1Å; L709-W713 HydrophobicContact CB-CE3 4.15Å; L709-W713 HydrophobicContact CB-CH2 4.16Å; L709-W713 HydrophobicContact CB-CZ3 3.88Å; L709-W713 HydrophobicContact CD1-CH2 4.38Å; L709-W713 HydrophobicContact CD2-CH2 4.16Å; L709-W713 HydrophobicContact CD2-CZ2 4.01Å; L709-W713 HydrophobicContact CG-CH2 4.48Å; L709-W713 PolarHBondContact O-N 3.26Å
710V92Very high91.1Very high12 Ų1256.7 Ų56.77%0.07330%0.295CS..Hα-helixtrans-56.2-51.8178.1170.40000110.7A665 I706 R707 A712 W713 E714 A720A665-V710 HydrophobicContact CB-CG2 3.37Å; I706-V710 WeakPolarHBondContact O-CG2 3.17Å; I706-V710 PolarHBondContact O-N 3.46Å; R707-V710 PolarHBondContact O-N 3.44Å; V710-A712 PolarHBondContact O-N 2.88Å; V710-W713 PolarHBondContact O-N 2.78Å; V710-W713 VanDerWaalsContact O-N 3.07Å; V710-E714 HydrophobicContact CG1-CG 4.26Å; V710-E714 WeakPolarHBondContact O-CG 3.44Å; V710-E714 PolarHBondContact O-N 2.85Å; V710-A720 HydrophobicContact CG1-CB 4.19Å; V710-A720 HydrophobicContact CG2-CB 4.36Å
711A91.3Very high91Very high37 Ų3765.4 Ų65.431%0.30633%0.328SS..Hα-helixtrans-63.3-25.7179.600000113.2R707 L709 Q715R707-A711 WeakPolarHBondContact O-CB 3.1Å; R707-A711 PolarHBondContact O-N 2.73Å; L709-A711 PolarHBondContact O-N 3.43Å; A711-Q715 WeakPolarHBondContact O-CB 3.39Å; A711-Q715 VanDerWaalsContact O-CG 3.23Å; A711-Q715 WeakPolarHBondContact O-CG 3.2Å; A711-Q715 PolarHBondContact O-N 3.06Å; A711-Q715 PolarHBondContact O-NE2 3.47Å
712A89.9Confident90.8Very high20 Ų2069 Ų6917%0.16535%0.345CS..Hα-helixtrans-83.5-25.2175.300000113.5R681 D708 L709 V710 Q716R681-A712 VanDerWaalsContact NH1-CB 3.28Å; D708-A712 WeakPolarHBondContact O-CB 3.26Å; D708-A712 PolarHBondContact O-N 2.98Å; L709-A712 CarbonylContact O-C 3.45Å; L709-A712 PolarHBondContact O-N 3.43Å; L709-A712 VanDerWaalsContact O-N 3.1Å; V710-A712 PolarHBondContact O-N 2.88Å; A712-Q716 VanDerWaalsContact O-CD 3.29Å; A712-Q716 VanDerWaalsContact O-CG 3.26Å; A712-Q716 WeakPolarHBondContact O-CG 3.44Å; A712-Q716 PolarHBondContact O-NE2 3.23Å
713W93.5Very high90.5Very high0 Ų070.5 Ų70.50%035%0.351CS..Hα-helixtrans-79.7-40.6170.8-73.4-41.8000111.5V667 V674 E677 V699 L709 V710 Q715 Q716 D717 V718 A720V667-W713 HydrophobicContact CB-CE3 4.03Å; V667-W713 HydrophobicContact CB-CH2 4.44Å; V667-W713 HydrophobicContact CB-CZ3 3.95Å; V667-W713 HydrophobicContact CG1-CH2 4.09Å; V667-W713 HydrophobicContact CG1-CZ3 4.05Å; V667-W713 HydrophobicContact CG2-CD2 3.81Å; V667-W713 HydrophobicContact CG2-CE3 3.73Å; V667-W713 HydrophobicContact CG2-CG 4.27Å; V667-W713 HydrophobicContact CG2-CH2 4.45Å; V667-W713 HydrophobicContact CG2-CZ3 4.06Å; V674-W713 HydrophobicContact CG1-CH2 4.23Å; V674-W713 HydrophobicContact CG1-CZ2 4.29Å; E677-W713 PolarHBondContact OE2-NE1 3.15Å; V699-W713 HydrophobicContact CG1-CH2 4.16Å; V699-W713 HydrophobicContact CG2-CH2 4.03Å; V699-W713 HydrophobicContact CG2-CZ3 3.9Å; L709-W713 HydrophobicContact CB-CE3 4.15Å; L709-W713 HydrophobicContact CB-CH2 4.16Å; L709-W713 HydrophobicContact CB-CZ3 3.88Å; L709-W713 HydrophobicContact CD1-CH2 4.38Å; L709-W713 HydrophobicContact CD2-CH2 4.16Å; L709-W713 HydrophobicContact CD2-CZ2 4.01Å; L709-W713 HydrophobicContact CG-CH2 4.48Å; L709-W713 PolarHBondContact O-N 3.26Å; V710-W713 PolarHBondContact O-N 2.78Å; V710-W713 VanDerWaalsContact O-N 3.07Å; W713-Q715 PolarHBondContact O-N 2.84Å; W713-Q716 CarbonylContact O-C 3.41Å; W713-Q716 WeakPolarHBondContact O-CA 3.4Å; W713-Q716 PolarHBondContact O-N 3.24Å; W713-D717 PolarHBondContact O-N 3.39Å; W713-V718 CarbonylContact C-O 3.56Å; W713-V718 HydrophobicContact CB-CB 3.96Å; W713-V718 HydrophobicContact CB-CG1 4.01Å; W713-V718 HydrophobicContact CG-CB 4.47Å; W713-V718 HydrophobicContact CG-CG1 4.21Å; W713-V718 WeakPolarHBondContact O-CB 3.27Å; W713-V718 PolarHBondContact O-N 2.89Å; W713-A720 HydrophobicContact CB-CB 3.88Å; W713-A720 HydrophobicContact CE3-CB 3.99Å
714E90.3Very high90Very high116 Ų11673.5 Ų73.554%0.54238%0.381SS..Hα-helixtrans-57.6-33.5170.1-70.8177.2147.200111.9V710 Q716 D717V710-E714 HydrophobicContact CG1-CG 4.26Å; V710-E714 WeakPolarHBondContact O-CG 3.44Å; V710-E714 PolarHBondContact O-N 2.85Å; E714-Q716 PolarHBondContact O-N 2.82Å; E714-D717 PolarHBondContact O-N 3.45Å
715Q89.1Confident89.5Confident162 Ų16269.9 Ų69.976%0.75737%0.366SS*.THydrogen-bonded Turntrans-74.2-6172.8-80.5170.46100114.9A711 W713A711-Q715 WeakPolarHBondContact O-CB 3.39Å; A711-Q715 VanDerWaalsContact O-CG 3.23Å; A711-Q715 WeakPolarHBondContact O-CG 3.2Å; A711-Q715 PolarHBondContact O-N 3.06Å; A711-Q715 PolarHBondContact O-NE2 3.47Å; W713-Q715 PolarHBondContact O-N 2.84Å
716Q87.9Confident88.7Confident106 Ų10672.1 Ų72.150%0.49538%0.376SS..THydrogen-bonded Turntrans-113.813.9178.8-66.8170.316.700111.5A712 W713 E714 V718A712-Q716 VanDerWaalsContact O-CD 3.29Å; A712-Q716 VanDerWaalsContact O-CG 3.26Å; A712-Q716 WeakPolarHBondContact O-CG 3.44Å; A712-Q716 PolarHBondContact O-NE2 3.23Å; W713-Q716 CarbonylContact O-C 3.41Å; W713-Q716 WeakPolarHBondContact O-CA 3.4Å; W713-Q716 PolarHBondContact O-N 3.24Å; E714-Q716 PolarHBondContact O-N 2.82Å; Q716-V718 HydrophobicContact CB-CG2 4.22Å; Q716-V718 PolarHBondContact O-N 2.82Å; Q716-V718 VanDerWaalsContact O-N 3.15Å
717D88.1Confident88.3Confident165 Ų16572.2 Ų72.288%0.88238%0.377SS*.THydrogen-bonded Turntrans54.921.7-171-64.4-49.4000113.9W713 E714W713-D717 PolarHBondContact O-N 3.39Å; E714-D717 PolarHBondContact O-N 3.45Å
718V89.5Confident88.2Confident26 Ų2666.9 Ų66.916%0.15836%0.357CS..  trans-87.7124.8173.81720000109.2V667 L669 W713 Q716 A720V667-V718 HydrophobicContact CG2-CG1 3.71Å; L669-V718 HydrophobicContact CD1-CG1 3.87Å; L669-V718 HydrophobicContact CD2-CG1 4Å; L669-V718 HydrophobicContact CD2-CG2 4.21Å; L669-V718 HydrophobicContact CG-CG1 3.64Å; W713-V718 CarbonylContact C-O 3.56Å; W713-V718 HydrophobicContact CB-CB 3.96Å; W713-V718 HydrophobicContact CB-CG1 4.01Å; W713-V718 HydrophobicContact CG-CB 4.47Å; W713-V718 HydrophobicContact CG-CG1 4.21Å; W713-V718 WeakPolarHBondContact O-CB 3.27Å; W713-V718 PolarHBondContact O-N 2.89Å; Q716-V718 HydrophobicContact CB-CG2 4.22Å; Q716-V718 PolarHBondContact O-N 2.82Å; Q716-V718 VanDerWaalsContact O-N 3.15Å; V718-A720 PolarHBondContact O-N 3.34Å; V718-A720 VanDerWaalsContact O-N 3.1Å
719L89.3Confident88.2Confident122 Ų12263.3 Ų63.364%0.63934%0.339SS*.  trans-71.3107.6-178.3-167.3131.7000111E668E668-L719 HydrophobicContact CB-CB 4.26Å; E668-L719 PolarHBondContact N-O 3.15Å
720A91.5Very high88.2Confident9 Ų963.4 Ų63.47%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-130.4150179.100000111.2S666 V667 V710 W713 V718S666-A720 CarbonylContact O-C 3.6Å; S666-A720 VanDerWaalsContact O-CA 3.3Å; S666-A720 WeakPolarHBondContact O-CA 3.47Å; V667-A720 HydrophobicContact CB-CB 4.35Å; V667-A720 HydrophobicContact CG2-CB 4.19Å; V710-A720 HydrophobicContact CG1-CB 4.19Å; V710-A720 HydrophobicContact CG2-CB 4.36Å; W713-A720 HydrophobicContact CB-CB 3.88Å; W713-A720 HydrophobicContact CE3-CB 3.99Å; V718-A720 PolarHBondContact O-N 3.34Å; V718-A720 VanDerWaalsContact O-N 3.1Å
721R91.1Very high88.3Confident184 Ų18462.8 Ų62.869%0.69434%0.336SS*.EExtended strand (participates in β ladder)trans-157.5134.5-179.1-177.3176.4172.9178-0.1113A665 S666 V723A665-R721 CarbonylContact C-O 3.53Å; A665-R721 WeakPolarHBondContact CA-O 3.46Å; A665-R721 WeakPolarHBondContact CB-O 3.49Å; S666-R721 PolarHBondContact N-O 3.3Å; S666-R721 PolarHBondContact O-N 2.87Å; S666-R721 PolarHBondContact OG-O 3.48Å; R721-V723 PolarHBondContact O-N 2.89Å
722E89.7Confident88.4Confident75 Ų7563.3 Ų63.335%0.3534%0.336SS..EExtended strand (participates in β ladder)trans-64.4125.8170.7-164.2173.815800110.8M664 R707M664-E722 CarbonylContact O-C 3.17Å; M664-E722 WeakPolarHBondContact O-CA 3.29Å; R707-E722 WeakPolarHBondContact CG-OE2 3.36Å; R707-E722 IonicContact CZ-OE1 2.71Å; R707-E722 IonicContact CZ-OE2 2.75Å; R707-E722 IonicContact NE-OE1 3.61Å; R707-E722 PolarHBondContact NE-OE1 2.9Å; R707-E722 IonicContact NE-OE2 3.1Å; R707-E722 PolarHBondContact NE-OE2 2.98Å; R707-E722 IonicContact NH2-OE1 3.28Å; R707-E722 PolarHBondContact NH2-OE1 2.9Å; R707-E722 IonicContact NH2-OE2 2.79Å; R707-E722 PolarHBondContact NH2-OE2 3.19Å
723V84.6Confident88.5Confident55 Ų5565.3 Ų65.333%0.33334%0.342SS..  trans-85.6132.9-177.6-173.80000109.4M664 V698 R721 V725M664-V723 HydrophobicContact CB-CB 4.37Å; M664-V723 PolarHBondContact O-N 2.86Å; V698-V723 HydrophobicContact CG1-CG2 4.32Å; R721-V723 PolarHBondContact O-N 2.89Å; V723-V725 VanDerWaalsContact C-N 3.32Å; V723-V725 HydrophobicContact CG1-CG1 4.17Å; V723-V725 PolarHBondContact O-N 3.25Å
724A78.9Confident88.5Confident105 Ų10565.3 Ų65.387%0.86834%0.342SS*.  trans-76.177.9-179.200000112.2
725V79.1Confident88.7Confident41 Ų4163.1 Ų63.125%0.24833%0.334CS..  trans-126.3140.8174.9-73.50000111.5M664 V723 V727M664-V725 HydrophobicContact CB-CG2 4.02Å; M664-V725 HydrophobicContact CG-CG2 3.92Å; M664-V725 HydrophobicContact SD-CG2 3.79Å; V723-V725 VanDerWaalsContact C-N 3.32Å; V723-V725 HydrophobicContact CG1-CG1 4.17Å; V723-V725 PolarHBondContact O-N 3.25Å; V725-V727 VanDerWaalsContact C-N 3.25Å; V725-V727 PolarHBondContact O-N 3.01Å
726D75.9Confident88.9Confident72 Ų7260 Ų6039%0.38533%0.328SS..SBendtrans-71.6-19.2179.4-58.2-45.9000112.9I594 A659 G660I594-D726 PolarHBondContact N-OD2 2.95Å; A659-D726 CarbonylContact C-O 3.5Å; A659-D726 WeakPolarHBondContact CA-O 3.47Å; A659-D726 HydrophobicContact CB-CB 4.32Å; G660-D726 PolarHBondContact N-O 2.94Å
727V85.5Confident89.3Confident3 Ų355.1 Ų55.12%0.01831%0.305CS..SBendtrans-141.4134.6-172.9178.10000109.8I594 M655 I658 V725 S729 V734I594-V727 HydrophobicContact CD1-CB 4.13Å; I594-V727 HydrophobicContact CD1-CG2 3.98Å; M655-V727 HydrophobicContact CB-CG2 4.28Å; M655-V727 HydrophobicContact CE-CB 3.96Å; M655-V727 HydrophobicContact CE-CG1 3.82Å; M655-V727 WeakPolarHBondContact O-CG2 3.34Å; I658-V727 HydrophobicContact CD1-CG1 3.72Å; I658-V727 HydrophobicContact CG1-CG1 3.91Å; I658-V727 HydrophobicContact CG1-CG2 4.2Å; V725-V727 VanDerWaalsContact C-N 3.25Å; V725-V727 PolarHBondContact O-N 3.01Å; V727-S729 PolarHBondContact O-N 3.41Å; V727-V734 HydrophobicContact CG1-CG1 4.26Å
728A89.9Confident89.7Confident1 Ų148.1 Ų48.11%0.00827%0.268CS..  trans-75.569.7171.900000112.2S661 M664 T731 Q733S661-A728 WeakPolarHBondContact O-CB 3.12Å; S661-A728 PolarHBondContact O-N 2.82Å; M664-A728 HydrophobicContact CG-CB 4.02Å; A728-T731 HydrophobicContact CB-CG2 4.1Å; A728-T731 WeakPolarHBondContact O-CB 3.48Å; A728-T731 WeakPolarHBondContact O-CG2 3.47Å; A728-T731 PolarHBondContact O-OG1 3.01Å; A728-Q733 HydrophobicContact CB-CB 4.25Å; A728-Q733 HydrophobicContact CB-CG 4.16Å
729S91.5Very high89.9Confident16 Ų1653.3 Ų53.311%0.11230%0.295CS..  trans-60.2152.1173.453.70000112.2M664 V727M664-S729 WeakPolarHBondContact CE-O 3.29Å; V727-S729 PolarHBondContact O-N 3.41Å
730H94.4Very high90.2Very high4 Ų450.9 Ų50.92%0.01928%0.28CS..SBendtrans65.141-177.7-36.7-52.5000112.4S626 S689 N779 L780 R781 Y782 V784S626-H730 WeakPolarHBondContact CB-NE2 3.42Å; S626-H730 PolarHBondContact OG-CE1 2.92Å; S626-H730 VanDerWaalsContact OG-CE1 3.32Å; S626-H730 PolarHBondContact OG-NE2 2.66Å; S689-H730 WeakPolarHBondContact O-CB 3.39Å; S689-H730 PolarHBondContact OG-O 3.31Å; H730-N779 PolarHBondContact CE1-O 2.9Å; H730-N779 PolarHBondContact ND1-O 3.37Å; H730-L780 WeakPolarHBondContact CA-O 3.48Å; H730-L780 PolarHBondContact N-O 3.48Å; H730-R781 CarbonylContact C-O 3.45Å; H730-Y782 WeakPolarHBondContact CB-O 3.14Å; H730-V784 WeakPolarHBondContact NE2-CG2 3.44Å
731T94.1Very high90.4Very high0 Ų050.4 Ų50.40%028%0.276CS..SBendtrans-148.3168.7179.780.50000110.5V687 S689 G700 A728 Q733 V734 R781V687-T731 HydrophobicContact CG2-CG2 4.06Å; S689-T731 VanDerWaalsContact OG-CG2 3.23Å; S689-T731 WeakPolarHBondContact OG-CG2 3.41Å; G700-T731 VanDerWaalsContact CA-CG2 3.47Å; G700-T731 WeakPolarHBondContact O-CG2 3.41Å; A728-T731 HydrophobicContact CB-CG2 4.1Å; A728-T731 WeakPolarHBondContact O-CB 3.48Å; A728-T731 WeakPolarHBondContact O-CG2 3.47Å; A728-T731 PolarHBondContact O-OG1 3.01Å; T731-Q733 PolarHBondContact O-N 2.96Å; T731-Q733 VanDerWaalsContact O-N 3.08Å; T731-Q733 VanDerWaalsContact OG1-CB 3.3Å; T731-Q733 WeakPolarHBondContact OG1-CB 3.35Å; T731-Q733 WeakPolarHBondContact OG1-CG 3.15Å; T731-Q733 PolarHBondContact OG1-N 3.24Å; T731-V734 VanDerWaalsContact O-CG2 3.31Å; T731-V734 WeakPolarHBondContact O-CG2 3.39Å; T731-V734 PolarHBondContact O-N 2.89Å; T731-R781 VanDerWaalsContact O-CD 3.27Å; T731-R781 WeakPolarHBondContact O-CD 3.48Å
732P92.3Very high90.7Very high48 Ų4844.8 Ų44.831%0.31226%0.259SS..G310 helixtrans-57.8-15.5168.9-21.932.3000115.4V734 D735P732-V734 PolarHBondContact O-N 2.95Å; P732-D735 WeakPolarHBondContact CA-OD2 3.25Å; P732-D735 VanDerWaalsContact O-CB 3.25Å; P732-D735 WeakPolarHBondContact O-CB 3.41Å; P732-D735 VanDerWaalsContact O-CG 3.28Å; P732-D735 PolarHBondContact O-N 3.04Å
733Q92.2Very high90.9Very high61 Ų6148.5 Ų48.529%0.28528%0.277SS..G310 helixtrans-67.4-17.8-178.9-56.4-66.4-11.800113.2A728 T731 P736A728-Q733 HydrophobicContact CB-CB 4.25Å; A728-Q733 HydrophobicContact CB-CG 4.16Å; T731-Q733 PolarHBondContact O-N 2.96Å; T731-Q733 VanDerWaalsContact O-N 3.08Å; T731-Q733 VanDerWaalsContact OG1-CB 3.3Å; T731-Q733 WeakPolarHBondContact OG1-CB 3.35Å; T731-Q733 WeakPolarHBondContact OG1-CG 3.15Å; T731-Q733 PolarHBondContact OG1-N 3.24Å; Q733-P736 WeakPolarHBondContact O-CD 3.44Å
734V94.1Very high91.4Very high0 Ų048.1 Ų48.10%028%0.275CS..G310 helixtrans-86.9-9.5173-57.10000113.8I658 V727 T731 P732 P736 I737 L738 L780 R781I658-V734 HydrophobicContact CD1-CB 4.27Å; I658-V734 HydrophobicContact CD1-CG1 4Å; V727-V734 HydrophobicContact CG1-CG1 4.26Å; T731-V734 VanDerWaalsContact O-CG2 3.31Å; T731-V734 WeakPolarHBondContact O-CG2 3.39Å; T731-V734 PolarHBondContact O-N 2.89Å; P732-V734 PolarHBondContact O-N 2.95Å; V734-P736 VanDerWaalsContact C-N 3.28Å; V734-P736 VanDerWaalsContact O-N 3.13Å; V734-I737 HydrophobicContact CB-CG1 4.47Å; V734-I737 WeakPolarHBondContact O-CG1 3.46Å; V734-I737 PolarHBondContact O-N 3.18Å; V734-L738 HydrophobicContact CB-CD2 4.32Å; V734-L738 HydrophobicContact CG2-CD2 3.87Å; V734-L738 HydrophobicContact CG2-CG 4.46Å; V734-L738 WeakPolarHBondContact O-CG 3.49Å; V734-L780 HydrophobicContact CB-CD2 4.4Å; V734-L780 HydrophobicContact CB-CG 4.15Å; V734-L780 HydrophobicContact CG1-CD1 4.05Å; V734-L780 HydrophobicContact CG1-CG 4.08Å; V734-L780 HydrophobicContact CG2-CG 4.12Å; V734-L780 WeakPolarHBondContact CG2-O 3.31Å; V734-R781 HydrophobicContact CG2-CB 4.18Å
735D93.7Very high92.3Very high71 Ų7143.2 Ų43.238%0.3823%0.234SC..G310 helixtrans-49.1-39.6-179-71.6-25.5000113.5P732 I737 L738 R781P732-D735 WeakPolarHBondContact CA-OD2 3.25Å; P732-D735 VanDerWaalsContact O-CB 3.25Å; P732-D735 WeakPolarHBondContact O-CB 3.41Å; P732-D735 VanDerWaalsContact O-CG 3.28Å; P732-D735 PolarHBondContact O-N 3.04Å; D735-I737 PolarHBondContact O-N 3.36Å; D735-L738 PolarHBondContact O-N 2.61Å; D735-L738 WeakPolarHBondContact OD1-CD1 3.31Å; D735-R781 VanDerWaalsContact OD1-CD 3.24Å; D735-R781 WeakPolarHBondContact OD1-CD 3.19Å; D735-R781 IonicContact OD1-CZ 2.88Å; D735-R781 IonicContact OD1-NE 3.44Å; D735-R781 PolarHBondContact OD1-NE 2.99Å; D735-R781 IonicContact OD1-NH2 3.85Å; D735-R781 IonicContact OD2-CZ 2.87Å; D735-R781 IonicContact OD2-NE 3.24Å; D735-R781 IonicContact OD2-NH2 3.29Å; D735-R781 PolarHBondContact OD2-NH2 2.84Å
736P94.8Very high92.9Very high97 Ų9745.3 Ų45.363%0.6326%0.255SS*.G310 helixtrans-65.5-2.4178.6-23.135.6000117.1Q733 V734Q733-P736 WeakPolarHBondContact O-CD 3.44Å; V734-P736 VanDerWaalsContact C-N 3.28Å; V734-P736 VanDerWaalsContact O-N 3.13Å
737I95Very high93.6Very high3 Ų346.2 Ų46.22%0.01526%0.257CS..G310 helixtrans-1261.4177.861.9165.7000114.3L654 M655 I658 V734 D735 L741 L780L654-I737 HydrophobicContact CB-CB 4.42Å; L654-I737 HydrophobicContact CB-CD1 4.02Å; M655-I737 HydrophobicContact CG-CD1 3.99Å; I658-I737 HydrophobicContact CD1-CD1 3.68Å; I658-I737 HydrophobicContact CD1-CG1 4.03Å; I658-I737 HydrophobicContact CG1-CD1 4.24Å; I658-I737 HydrophobicContact CG2-CG2 4.1Å; V734-I737 HydrophobicContact CB-CG1 4.47Å; V734-I737 WeakPolarHBondContact O-CG1 3.46Å; V734-I737 PolarHBondContact O-N 3.18Å; D735-I737 PolarHBondContact O-N 3.36Å; I737-L741 VanDerWaalsContact O-CB 3.32Å; I737-L741 WeakPolarHBondContact O-CB 3.47Å; I737-L741 PolarHBondContact O-N 2.96Å; I737-L780 HydrophobicContact CD1-CD2 4.09Å
738L95.9Very high94Very high18 Ų1846.8 Ų46.89%0.09426%0.261CS..Hα-helixtrans-71.6-43.6-173.1-61.2-176.6000113.5V734 D735 E740 L741 L742 V777 L780 R781V734-L738 HydrophobicContact CB-CD2 4.32Å; V734-L738 HydrophobicContact CG2-CD2 3.87Å; V734-L738 HydrophobicContact CG2-CG 4.46Å; V734-L738 WeakPolarHBondContact O-CG 3.49Å; D735-L738 PolarHBondContact O-N 2.61Å; D735-L738 WeakPolarHBondContact OD1-CD1 3.31Å; L738-E740 VanDerWaalsContact C-N 3.31Å; L738-E740 PolarHBondContact O-N 3.1Å; L738-L741 WeakPolarHBondContact O-CB 3.44Å; L738-L741 PolarHBondContact O-N 3.1Å; L738-L742 PolarHBondContact O-N 2.84Å; L738-V777 HydrophobicContact CB-CG1 4.08Å; L738-V777 HydrophobicContact CB-CG2 4.47Å; L738-V777 HydrophobicContact CD1-CG1 4.18Å; L738-V777 HydrophobicContact CD2-CG1 4.21Å; L738-V777 HydrophobicContact CG-CG1 4.37Å; L738-V777 WeakPolarHBondContact O-CG2 3.35Å; L738-L780 HydrophobicContact CD2-CD2 4.24Å; L738-L780 HydrophobicContact CD2-CG 4.48Å; L738-R781 HydrophobicContact CD1-CB 3.91Å; L738-R781 HydrophobicContact CD1-CG 3.73Å; L738-R781 HydrophobicContact CD2-CB 4.32Å
739D94.4Very high94.1Very high135 Ų13553 Ų5372%0.72229%0.294SS*.Hα-helixtrans-60.7-43.1176.9-63.6-28.5000110.8L742 E743D739-L742 WeakPolarHBondContact O-CB 3.38Å; D739-L742 PolarHBondContact O-N 3.24Å; D739-E743 PolarHBondContact O-N 3.29Å
740E96Very high94.2Very high70 Ų7053.8 Ų53.833%0.32730%0.298SS..Hα-helixtrans-68.6-33.6177.3-164.9175.7161.100111.8L654 R657 L738 E743 V744L654-E740 HydrophobicContact CD1-CB 4.45Å; L654-E740 HydrophobicContact CD1-CG 4.37Å; L654-E740 HydrophobicContact CD2-CB 4.49Å; L654-E740 HydrophobicContact CD2-CG 3.94Å; L654-E740 WeakPolarHBondContact CD2-OE1 3.29Å; R657-E740 IonicContact CZ-OE1 3.78Å; R657-E740 IonicContact CZ-OE2 3.16Å; R657-E740 IonicContact NH1-OE1 2.72Å; R657-E740 PolarHBondContact NH1-OE1 3.32Å; R657-E740 IonicContact NH1-OE2 2.78Å; R657-E740 PolarHBondContact NH1-OE2 2.85Å; R657-E740 IonicContact NH2-OE2 2.77Å; R657-E740 PolarHBondContact NH2-OE2 3.22Å; L738-E740 VanDerWaalsContact C-N 3.31Å; L738-E740 PolarHBondContact O-N 3.1Å; E740-E743 PolarHBondContact O-N 2.68Å; E740-V744 WeakPolarHBondContact O-CG1 3.18Å; E740-V744 WeakPolarHBondContact O-CG2 3.33Å; E740-V744 PolarHBondContact O-N 2.83Å
741L96Very high94.1Very high0 Ų057 Ų570%032%0.318CS..Hα-helixtrans-65.3-40.4173.3-178.362.6000111.9R651 L654 I737 L738 V744 L745 V777 L780R651-L741 HydrophobicContact CB-CD1 4.12Å; L654-L741 HydrophobicContact CD1-CB 3.93Å; L654-L741 HydrophobicContact CD1-CD1 4.06Å; I737-L741 VanDerWaalsContact O-CB 3.32Å; I737-L741 WeakPolarHBondContact O-CB 3.47Å; I737-L741 PolarHBondContact O-N 2.96Å; L738-L741 WeakPolarHBondContact O-CB 3.44Å; L738-L741 PolarHBondContact O-N 3.1Å; L741-V744 HydrophobicContact CD1-CG2 4.48Å; L741-L745 HydrophobicContact CD1-CD1 3.6Å; L741-L745 HydrophobicContact CD1-CG 4.06Å; L741-L745 HydrophobicContact CG-CD1 4.05Å; L741-L745 WeakPolarHBondContact O-CB 3.48Å; L741-L745 WeakPolarHBondContact O-CG 3.15Å; L741-L745 PolarHBondContact O-N 3.01Å; L741-V777 HydrophobicContact CB-CG2 4.23Å; L741-V777 HydrophobicContact CD2-CG2 4.15Å; L741-V777 HydrophobicContact CG-CG2 4.21Å; L741-L780 HydrophobicContact CD2-CB 4.31Å; L741-L780 HydrophobicContact CD2-CD2 3.58Å
742L96.1Very high93.9Very high65 Ų6559.5 Ų59.534%0.3434%0.339SS..Hα-helixtrans-62.6-47175.1-175.359.5000110.9L738 D739 L745 A746 G773 E774 V777L738-L742 PolarHBondContact O-N 2.84Å; D739-L742 WeakPolarHBondContact O-CB 3.38Å; D739-L742 PolarHBondContact O-N 3.24Å; L742-L745 PolarHBondContact O-N 3.23Å; L742-A746 PolarHBondContact O-N 2.96Å; L742-G773 VanDerWaalsContact CD1-C 3.49Å; L742-E774 HydrophobicContact CD1-CG 3.95Å; L742-V777 HydrophobicContact CB-CG2 4.1Å
743E95.5Very high94Very high153 Ų15358.9 Ų58.972%0.71534%0.335SS*.Hα-helixtrans-60.7-46.9177.6-72.9-170.616800112.7D739 E740 L745 A746D739-E743 PolarHBondContact O-N 3.29Å; E740-E743 PolarHBondContact O-N 2.68Å; E743-L745 PolarHBondContact O-N 2.97Å; E743-A746 WeakPolarHBondContact O-CB 3.42Å; E743-A746 PolarHBondContact O-N 3.02Å
744V94.8Very high94Very high48 Ų4863.6 Ų63.629%0.29136%0.357SS..Hα-helixtrans-76.2-8.2-177.2-56.30000114.4R650 L654 E740 L741R650-V744 HydrophobicContact CB-CG2 3.94Å; R650-V744 WeakPolarHBondContact CD-O 3.49Å; R650-V744 PolarHBondContact NH1-O 3.07Å; L654-V744 HydrophobicContact CD1-CG2 3.88Å; E740-V744 WeakPolarHBondContact O-CG1 3.18Å; E740-V744 WeakPolarHBondContact O-CG2 3.33Å; E740-V744 PolarHBondContact O-N 2.83Å; L741-V744 HydrophobicContact CD1-CG2 4.48Å
745L96.5Very high94.1Very high1 Ų164.9 Ų64.91%0.00536%0.364CS..Hα-helixtrans-108.72.2175.1-61.7-176.2000113.8V647 R650 L741 L742 E743 E747 V748 W776V647-L745 HydrophobicContact CG2-CD1 4.34Å; V647-L745 HydrophobicContact CG2-CD2 4.12Å; R650-L745 HydrophobicContact CB-CD2 4.34Å; L741-L745 HydrophobicContact CD1-CD1 3.6Å; L741-L745 HydrophobicContact CD1-CG 4.06Å; L741-L745 HydrophobicContact CG-CD1 4.05Å; L741-L745 WeakPolarHBondContact O-CB 3.48Å; L741-L745 WeakPolarHBondContact O-CG 3.15Å; L741-L745 PolarHBondContact O-N 3.01Å; L742-L745 PolarHBondContact O-N 3.23Å; E743-L745 PolarHBondContact O-N 2.97Å; L745-E747 PolarHBondContact O-N 3.17Å; L745-V748 HydrophobicContact CB-CG2 4.31Å; L745-V748 HydrophobicContact CD2-CG2 4.25Å; L745-V748 WeakPolarHBondContact O-CB 3.38Å; L745-V748 WeakPolarHBondContact O-CG2 3.28Å; L745-V748 PolarHBondContact O-N 3.3Å; L745-W776 HydrophobicContact CD1-CB 3.55Å; L745-W776 HydrophobicContact CD1-CG 3.96Å
746A92.5Very high94.1Very high85 Ų8564.5 Ų64.570%0.70237%0.366SS*.THydrogen-bonded Turntrans-64.4-5.8177.700000115.2L742 E743L742-A746 PolarHBondContact O-N 2.96Å; E743-A746 WeakPolarHBondContact O-CB 3.42Å; E743-A746 PolarHBondContact O-N 3.02Å
747E91.3Very high94.3Very high92 Ų9260.7 Ų60.743%0.4334%0.339SS..THydrogen-bonded Turntrans-102.68173.165.2161.3-171.200114.4R646 R650 L745R646-E747 VanDerWaalsContact CZ-CD 3.41Å; R646-E747 IonicContact CZ-OE1 2.82Å; R646-E747 VanDerWaalsContact CZ-OE1 3.28Å; R646-E747 IonicContact CZ-OE2 3.14Å; R646-E747 VanDerWaalsContact NE-CD 3.35Å; R646-E747 IonicContact NE-OE1 3.2Å; R646-E747 PolarHBondContact NE-OE1 3.35Å; R646-E747 IonicContact NE-OE2 2.68Å; R646-E747 IonicContact NH2-OE1 2.71Å; R646-E747 PolarHBondContact NH2-OE1 3.21Å; R646-E747 VanDerWaalsContact NH2-OE1 3.1Å; R646-E747 IonicContact NH2-OE2 2.71Å; R646-E747 PolarHBondContact NH2-OE2 3.16Å; R650-E747 IonicContact CZ-OE1 3.28Å; R650-E747 IonicContact NH1-OE1 2.73Å; R650-E747 PolarHBondContact NH1-OE1 3.09Å; R650-E747 IonicContact NH2-OE1 2.83Å; R650-E747 PolarHBondContact NH2-OE1 3.22Å; L745-E747 PolarHBondContact O-N 3.17Å
748V93Very high94.4Very high14 Ų1461.1 Ų61.19%0.08534%0.34CS..  trans-78.5125.6172.8170.80000109.1L639 D643 V647 L745 P750L639-V748 HydrophobicContact CD2-CG1 3.49Å; L639-V748 VanDerWaalsContact CD2-CG1 3.49Å; D643-V748 HydrophobicContact CB-CG1 4.27Å; V647-V748 HydrophobicContact CG2-CG2 4Å; L745-V748 HydrophobicContact CB-CG2 4.31Å; L745-V748 HydrophobicContact CD2-CG2 4.25Å; L745-V748 WeakPolarHBondContact O-CB 3.38Å; L745-V748 WeakPolarHBondContact O-CG2 3.28Å; L745-V748 PolarHBondContact O-N 3.3Å; V748-P750 VanDerWaalsContact O-CD 3.29Å; V748-P750 WeakPolarHBondContact O-CD 3.07Å
749D92Very high94.4Very high132 Ų13260.3 Ų60.371%0.70634%0.336SS*.  trans-112.291.1-178.5-170.123.5000110.4
750P93.8Very high94.5Very high32 Ų3253.9 Ų53.921%0.20830%0.301CS..  trans-85.3140.9-170.631.7-34.2000114A638 L639 V748 S770 F771 T772A638-P750 WeakPolarHBondContact O-CA 3.44Å; L639-P750 HydrophobicContact CD2-CB 3.98Å; V748-P750 VanDerWaalsContact O-CD 3.29Å; V748-P750 WeakPolarHBondContact O-CD 3.07Å; P750-S770 VanDerWaalsContact CB-O 3.27Å; P750-S770 WeakPolarHBondContact CB-O 3.42Å; P750-S770 WeakPolarHBondContact CG-O 3.33Å; P750-F771 HydrophobicContact CB-CB 3.71Å; P750-T772 HydrophobicContact CG-CG2 3.72Å
751T92.5Very high94.4Very high71 Ų7151 Ų5144%0.43629%0.288SS..  trans-98.3-178.6-177.638.20000112.5G637 A638 R768G637-T751 PolarHBondContact O-OG1 3.15Å; A638-T751 VanDerWaalsContact C-OG1 3.23Å; A638-T751 WeakPolarHBondContact CA-OG1 3.34Å; A638-T751 PolarHBondContact O-N 2.74Å; A638-T751 PolarHBondContact O-OG1 3.15Å; T751-R768 PolarHBondContact O-NH2 3.13Å; T751-R768 VanDerWaalsContact O-NH2 3.11Å
752A89.5Confident94.3Very high54 Ų5452 Ų5245%0.44629%0.294SS..  trans-79.7135.5164.400000109.2E754 R768A752-E754 PolarHBondContact O-N 2.68Å; A752-R768 VanDerWaalsContact CA-NH2 3.31Å
753P93.8Very high94Very high35 Ų3559 Ų5923%0.22732%0.316CS..  trans-62.3134.617124.2-31.1000110.7A636 A638 I755A636-P753 HydrophobicContact CB-CB 4.08Å; A636-P753 CarbonylContact O-C 3.52Å; A636-P753 VanDerWaalsContact O-CA 3.23Å; A636-P753 WeakPolarHBondContact O-CA 3.48Å; A638-P753 HydrophobicContact CB-CB 4.05Å; P753-I755 VanDerWaalsContact C-N 3.33Å; P753-I755 WeakPolarHBondContact CB-O 3.34Å
754E93.8Very high93.8Very high160 Ų16055.4 Ų55.475%0.74830%0.302SS*.SBendtrans-76.3-23.3171.5-59.7-175.8164.600111.9A636 A752A636-E754 PolarHBondContact O-N 2.74Å; A752-E754 PolarHBondContact O-N 2.68Å
755I94.6Very high93.9Very high26 Ų2653.6 Ų53.613%0.13329%0.291CS..SBendtrans-120.4135.5-176.1-65.4144000108.8P619 I622 V635 P753 Y757P619-I755 HydrophobicContact CB-CG2 4.36Å; P619-I755 HydrophobicContact CG-CD1 3.86Å; P619-I755 HydrophobicContact CG-CG1 4.41Å; P619-I755 HydrophobicContact CG-CG2 4.21Å; I622-I755 HydrophobicContact CD1-CB 4.13Å; I622-I755 HydrophobicContact CD1-CD1 4.1Å; I622-I755 HydrophobicContact CD1-CG2 3.76Å; I622-I755 HydrophobicContact CG1-CG2 3.89Å; V635-I755 WeakPolarHBondContact O-CD1 3.41Å; P753-I755 VanDerWaalsContact C-N 3.33Å; P753-I755 WeakPolarHBondContact CB-O 3.34Å; I755-Y757 PolarHBondContact O-N 2.66Å
756P95.3Very high93.8Very high64 Ų6458.7 Ų58.742%0.41631%0.31SS..  trans-48.2124.6176.8-30.536.2000113.1G620 A621 I622G620-P756 WeakPolarHBondContact O-CD 3.38Å; A621-P756 CarbonylContact C-O 3.4Å; A621-P756 VanDerWaalsContact CA-O 3.28Å; A621-P756 WeakPolarHBondContact CA-O 3.15Å; A621-P756 HydrophobicContact CB-CB 4.21Å; I622-P756 PolarHBondContact N-O 3.32Å
757Y97.4Very high93.8Very high16 Ų1660 Ų606%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-117.3124.3-173.7-173.8-79.1000109.7I622 E629 A632 A633 A636 I755 P769 F771I622-Y757 HydrophobicContact CG2-CD2 4.05Å; I622-Y757 HydrophobicContact CG2-CE2 4.25Å; E629-Y757 WeakPolarHBondContact CB-OH 3.3Å; E629-Y757 PolarHBondContact O-OH 3.15Å; E629-Y757 PolarHBondContact OE2-OH 2.99Å; A632-Y757 HydrophobicContact CB-CE2 3.62Å; A633-Y757 HydrophobicContact CB-CE2 4.44Å; A636-Y757 HydrophobicContact CB-CD2 3.93Å; I755-Y757 PolarHBondContact O-N 2.66Å; Y757-P769 HydrophobicContact CD1-CG 4.04Å; Y757-P769 HydrophobicContact CE1-CG 3.97Å; Y757-F771 HydrophobicContact CD1-CE1 4.38Å; Y757-F771 AromaticContact CD1-CZ 3.85Å; Y757-F771 HydrophobicContact CD1-CZ 3.85Å; Y757-F771 HydrophobicContact CD2-CE1 4.46Å; Y757-F771 HydrophobicContact CD2-CZ 4Å; Y757-F771 AromaticContact CE1-CE1 3.86Å; Y757-F771 HydrophobicContact CE1-CE1 3.86Å; Y757-F771 AromaticContact CE1-CZ 3.8Å; Y757-F771 HydrophobicContact CE1-CZ 3.8Å; Y757-F771 AromaticContact CE2-CE1 3.93Å; Y757-F771 HydrophobicContact CE2-CE1 3.93Å; Y757-F771 AromaticContact CE2-CZ 3.94Å; Y757-F771 HydrophobicContact CE2-CZ 3.94Å; Y757-F771 AromaticContact CG-CZ 3.97Å; Y757-F771 HydrophobicContact CG-CZ 3.97Å; Y757-F771 AromaticContact CZ-CE1 3.62Å; Y757-F771 AromaticContact CZ-CZ 3.87Å
758Y97.8Very high93.6Very high13 Ų1362.9 Ų62.95%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-104.8114.7173.8-60.3-95.6000110.1A621 I622 I623 P765 R766 A792 A793 D796 Y798A621-Y758 HydrophobicContact CB-CD2 4.22Å; A621-Y758 HydrophobicContact CB-CE2 3.72Å; I622-Y758 PolarHBondContact O-N 3.5Å; I623-Y758 HydrophobicContact CG1-CD2 4.46Å; Y758-P765 CarbonylContact C-O 3.49Å; Y758-P765 VanDerWaalsContact CA-O 3.29Å; Y758-P765 WeakPolarHBondContact CA-O 3.5Å; Y758-R766 HydrophobicContact CD1-CG 4.03Å; Y758-R766 HydrophobicContact CE1-CG 3.77Å; Y758-A792 HydrophobicContact CD1-CB 3.53Å; Y758-A792 HydrophobicContact CE1-CB 3.75Å; Y758-A793 HydrophobicContact CD2-CB 3.99Å; Y758-A793 HydrophobicContact CE1-CB 4.36Å; Y758-A793 HydrophobicContact CE2-CB 3.81Å; Y758-A793 HydrophobicContact CG-CB 4.36Å; Y758-D796 VanDerWaalsContact CE1-OD2 3.27Å; Y758-D796 WeakPolarHBondContact CE1-OD2 3.49Å; Y758-D796 WeakPolarHBondContact OH-CB 3.36Å; Y758-D796 PolarHBondContact OH-OD2 2.73Å; Y758-Y798 HydrophobicContact CE2-CE2 4.38Å
759S96.2Very high93.6Very high0 Ų062.4 Ų62.40%031%0.306CS..  trans-74.6134.5-179.2-179.90000112.1T761 L762 P765 Y775S759-T761 PolarHBondContact OG-N 3.36Å; S759-L762 PolarHBondContact OG-N 3.49Å; S759-P765 PolarHBondContact N-O 3.09Å; S759-P765 WeakPolarHBondContact O-CA 3.25Å; S759-P765 WeakPolarHBondContact O-CB 3.38Å; S759-Y775 PolarHBondContact OG-OH 2.77Å
760A95.9Very high93.6Very high0 Ų059 Ų590%029%0.293CS..SBendtrans-943.4165.400000112.5G624 E629 V784 R785 F786G624-A760 VanDerWaalsContact O-CB 3.25Å; G624-A760 WeakPolarHBondContact O-CB 3.49Å; E629-A760 PolarHBondContact OE1-N 3.3Å; A760-V784 HydrophobicContact CB-CG1 3.75Å; A760-V784 CarbonylContact O-C 3.11Å; A760-V784 WeakPolarHBondContact O-CA 3.46Å; A760-R785 PolarHBondContact O-N 2.98Å; A760-F786 HydrophobicContact CB-CB 4.48Å
761T95Very high93.6Very high9 Ų957.5 Ų57.56%0.05528%0.283CS..SBendtrans-104.2-38.3-179.5-62.50000112.5E629 S759 Y775 E778 N779 R785E629-T761 PolarHBondContact OE1-N 2.92Å; E629-T761 PolarHBondContact OE1-OG1 2.7Å; S759-T761 PolarHBondContact OG-N 3.36Å; T761-Y775 HydrophobicContact CG2-CD2 4.3Å; T761-Y775 HydrophobicContact CG2-CE2 3.79Å; T761-E778 HydrophobicContact CG2-CB 3.81Å; T761-N779 HydrophobicContact CG2-CB 3.93Å; T761-N779 WeakPolarHBondContact OG1-CB 3.24Å; T761-N779 PolarHBondContact OG1-ND2 3.22Å; T761-R785 PolarHBondContact O-NH1 2.89Å
762L93.7Very high93.7Very high21 Ų2156.1 Ų56.111%0.1127%0.274CS..SBendtrans-75.6169.7-178.6-60.8-176.9000112.9S759 E767 P769 Y775 R785S759-L762 PolarHBondContact OG-N 3.49Å; L762-E767 HydrophobicContact CD1-CB 3.77Å; L762-E767 HydrophobicContact CD1-CG 3.87Å; L762-E767 WeakPolarHBondContact CD1-O 3.38Å; L762-P769 HydrophobicContact CD1-CB 4.36Å; L762-P769 HydrophobicContact CD1-CG 4Å; L762-Y775 HydrophobicContact CD2-CD2 4.22Å; L762-Y775 HydrophobicContact CD2-CE2 3.88Å; L762-Y775 HydrophobicContact CG-CE2 3.97Å; L762-R785 PolarHBondContact O-NH1 2.8Å
763W88.4Confident93.9Very high212 Ų21253.7 Ų53.780%0.80326%0.255SS*.SBendtrans-80.4-42178.8-104.5108.1000112.7
764D92.9Very high93.9Very high78 Ų7857.2 Ų57.242%0.41727%0.268SS..SBendtrans-97.8118161.3-176.9-7.2000108.4R766 E767D764-R766 PolarHBondContact O-N 2.86Å; D764-R766 VanDerWaalsContact O-N 3.17Å; D764-R766 PolarHBondContact OD1-N 2.8Å; D764-E767 HydrophobicContact CB-CB 4.24Å; D764-E767 WeakPolarHBondContact O-CB 3.43Å; D764-E767 PolarHBondContact O-N 2.92Å; D764-E767 VanDerWaalsContact O-N 3.08Å
765P95.1Very high94Very high10 Ų1049.7 Ų49.77%0.06523%0.233CC..THydrogen-bonded Turntrans-58.8-23.6176.2-25.234.5000114.7Y758 S759 A788 A789 A792Y758-P765 CarbonylContact C-O 3.49Å; Y758-P765 VanDerWaalsContact CA-O 3.29Å; Y758-P765 WeakPolarHBondContact CA-O 3.5Å; S759-P765 PolarHBondContact N-O 3.09Å; S759-P765 WeakPolarHBondContact O-CA 3.25Å; S759-P765 WeakPolarHBondContact O-CB 3.38Å; P765-A788 VanDerWaalsContact CG-C 3.49Å; P765-A788 HydrophobicContact CG-CB 3.63Å; P765-A789 HydrophobicContact CB-CB 4.1Å; P765-A792 HydrophobicContact CB-CB 4.08Å; P765-A792 HydrophobicContact CG-CB 4.4Å
766R94.6Very high94Very high108 Ų10848.5 Ų48.541%0.40823%0.227SC..THydrogen-bonded Turntrans-85.6-9.1177.8-63.7-173.7-171.482.7-8.9113.6Y758 D764 R768 A792 D796Y758-R766 HydrophobicContact CD1-CG 4.03Å; Y758-R766 HydrophobicContact CE1-CG 3.77Å; D764-R766 PolarHBondContact O-N 2.86Å; D764-R766 VanDerWaalsContact O-N 3.17Å; D764-R766 PolarHBondContact OD1-N 2.8Å; R766-R768 PolarHBondContact O-N 2.9Å; R766-A792 HydrophobicContact CG-CB 4.37Å; R766-A792 PolarHBondContact NH2-O 2.99Å; R766-D796 IonicContact CZ-OD1 3.53Å; R766-D796 IonicContact CZ-OD2 3.65Å; R766-D796 IonicContact NE-OD1 3.73Å; R766-D796 PolarHBondContact NE-OD1 3.08Å; R766-D796 VanDerWaalsContact NE-OD1 3.12Å; R766-D796 IonicContact NE-OD2 2.66Å; R766-D796 PolarHBondContact NE-OD2 2.79Å; R766-D796 IonicContact NH2-OD1 3.51Å; R766-D796 PolarHBondContact NH2-OD1 3.01Å; R766-D796 IonicContact NH2-OD2 3.17Å
767E92.8Very high94.1Very high113 Ų11346.8 Ų46.853%0.52822%0.215SC..SBendtrans-64.4133.9172.1-175.9172.3-155.500109.2L762 D764 P769L762-E767 HydrophobicContact CD1-CB 3.77Å; L762-E767 HydrophobicContact CD1-CG 3.87Å; L762-E767 WeakPolarHBondContact CD1-O 3.38Å; D764-E767 HydrophobicContact CB-CB 4.24Å; D764-E767 WeakPolarHBondContact O-CB 3.43Å; D764-E767 PolarHBondContact O-N 2.92Å; D764-E767 VanDerWaalsContact O-N 3.08Å; E767-P769 VanDerWaalsContact O-CD 3.25Å; E767-P769 WeakPolarHBondContact O-CD 3.4Å
768R88.3Confident94Very high152 Ų15249.7 Ų49.757%0.57423%0.229SC*.PPolyproline II helixtrans-72.9119.6-180175-178.5163.2-165.9-6.8109.3T751 A752 R766T751-R768 PolarHBondContact O-NH2 3.13Å; T751-R768 VanDerWaalsContact O-NH2 3.11Å; A752-R768 VanDerWaalsContact CA-NH2 3.31Å; R766-R768 PolarHBondContact O-N 2.9Å
769P91.7Very high93.9Very high4 Ų449.1 Ų49.13%0.02623%0.227CC..PPolyproline II helixtrans-63.6152.2174.7-22.335.3000112.8Y757 L762 E767 F771 Y775Y757-P769 HydrophobicContact CD1-CG 4.04Å; Y757-P769 HydrophobicContact CE1-CG 3.97Å; L762-P769 HydrophobicContact CD1-CB 4.36Å; L762-P769 HydrophobicContact CD1-CG 4Å; E767-P769 VanDerWaalsContact O-CD 3.25Å; E767-P769 WeakPolarHBondContact O-CD 3.4Å; P769-F771 VanDerWaalsContact C-N 3.31Å; P769-F771 HydrophobicContact CB-CD1 3.97Å; P769-F771 HydrophobicContact CB-CD2 3.89Å; P769-F771 HydrophobicContact CB-CE1 3.78Å; P769-F771 HydrophobicContact CB-CE2 3.7Å; P769-F771 HydrophobicContact CB-CG 4.04Å; P769-F771 HydrophobicContact CB-CZ 3.66Å; P769-F771 HydrophobicContact CG-CE1 3.89Å; P769-F771 HydrophobicContact CG-CE2 3.96Å; P769-F771 HydrophobicContact CG-CZ 3.56Å; P769-F771 WeakPolarHBondContact O-CD2 3.47Å; P769-Y775 HydrophobicContact CB-CD1 4.36Å; P769-Y775 HydrophobicContact CB-CD2 3.9Å; P769-Y775 HydrophobicContact CB-CE1 4.08Å; P769-Y775 HydrophobicContact CB-CE2 3.59Å; P769-Y775 HydrophobicContact CB-CG 4.26Å; P769-Y775 HydrophobicContact CG-CE2 4.02Å
770S92.4Very high93.8Very high62 Ų6249.1 Ų49.143%0.43423%0.227SC..  trans-70.2-30.7168.1680000111.9P750 T772P750-S770 VanDerWaalsContact CB-O 3.27Å; P750-S770 WeakPolarHBondContact CB-O 3.42Å; P750-S770 WeakPolarHBondContact CG-O 3.33Å; S770-T772 WeakPolarHBondContact CB-OG1 3.42Å; S770-T772 PolarHBondContact O-N 2.97Å; S770-T772 PolarHBondContact OG-N 3.29Å; S770-T772 PolarHBondContact OG-OG1 2.84Å
771F94.9Very high93.7Very high0 Ų051.3 Ų51.30%024%0.235CC..  trans53.315.5-169-54.1-77.9000114.8A633 A638 L639 P750 Y757 P769 Y775 W776A633-F771 HydrophobicContact CB-CD1 3.78Å; A633-F771 HydrophobicContact CB-CE1 3.7Å; A633-F771 HydrophobicContact CB-CZ 4.42Å; A638-F771 HydrophobicContact CB-CD2 3.64Å; A638-F771 HydrophobicContact CB-CE2 3.43Å; A638-F771 VanDerWaalsContact CB-CE2 3.43Å; A638-F771 HydrophobicContact CB-CG 4.3Å; A638-F771 HydrophobicContact CB-CZ 3.94Å; L639-F771 HydrophobicContact CD2-CB 4.28Å; L639-F771 HydrophobicContact CG-CB 4.47Å; P750-F771 HydrophobicContact CB-CB 3.71Å; Y757-F771 HydrophobicContact CD1-CE1 4.38Å; Y757-F771 AromaticContact CD1-CZ 3.85Å; Y757-F771 HydrophobicContact CD1-CZ 3.85Å; Y757-F771 HydrophobicContact CD2-CE1 4.46Å; Y757-F771 HydrophobicContact CD2-CZ 4Å; Y757-F771 AromaticContact CE1-CE1 3.86Å; Y757-F771 HydrophobicContact CE1-CE1 3.86Å; Y757-F771 AromaticContact CE1-CZ 3.8Å; Y757-F771 HydrophobicContact CE1-CZ 3.8Å; Y757-F771 AromaticContact CE2-CE1 3.93Å; Y757-F771 HydrophobicContact CE2-CE1 3.93Å; Y757-F771 AromaticContact CE2-CZ 3.94Å; Y757-F771 HydrophobicContact CE2-CZ 3.94Å; Y757-F771 AromaticContact CG-CZ 3.97Å; Y757-F771 HydrophobicContact CG-CZ 3.97Å; Y757-F771 AromaticContact CZ-CE1 3.62Å; Y757-F771 AromaticContact CZ-CZ 3.87Å; P769-F771 VanDerWaalsContact C-N 3.31Å; P769-F771 HydrophobicContact CB-CD1 3.97Å; P769-F771 HydrophobicContact CB-CD2 3.89Å; P769-F771 HydrophobicContact CB-CE1 3.78Å; P769-F771 HydrophobicContact CB-CE2 3.7Å; P769-F771 HydrophobicContact CB-CG 4.04Å; P769-F771 HydrophobicContact CB-CZ 3.66Å; P769-F771 HydrophobicContact CG-CE1 3.89Å; P769-F771 HydrophobicContact CG-CE2 3.96Å; P769-F771 HydrophobicContact CG-CZ 3.56Å; P769-F771 WeakPolarHBondContact O-CD2 3.47Å; F771-Y775 AromaticContact CD1-CD1 3.97Å; F771-Y775 HydrophobicContact CD1-CD1 3.97Å; F771-Y775 AromaticContact CD1-CE1 3.87Å; F771-Y775 HydrophobicContact CD1-CE1 3.87Å; F771-Y775 HydrophobicContact CE1-CE1 4.08Å; F771-W776 HydrophobicContact CB-CZ2 4.29Å; F771-W776 HydrophobicContact CD1-CH2 4.19Å; F771-W776 AromaticContact CD1-CZ2 3.84Å; F771-W776 HydrophobicContact CD1-CZ2 3.84Å; F771-W776 PolarHBondContact O-NE1 3.33Å
772T94.2Very high93.7Very high41 Ų4156.7 Ų56.725%0.25226%0.255SS..SBendtrans-76.8176.3172.557.70000111.3P750 S770 E774 Y775 W776P750-T772 HydrophobicContact CG-CG2 3.72Å; S770-T772 WeakPolarHBondContact CB-OG1 3.42Å; S770-T772 PolarHBondContact O-N 2.97Å; S770-T772 PolarHBondContact OG-N 3.29Å; S770-T772 PolarHBondContact OG-OG1 2.84Å; T772-E774 WeakPolarHBondContact CB-OE2 3.38Å; T772-E774 PolarHBondContact O-N 3.1Å; T772-E774 PolarHBondContact OG1-OE2 3.2Å; T772-Y775 WeakPolarHBondContact O-CB 3.42Å; T772-Y775 PolarHBondContact O-N 3.23Å; T772-W776 PolarHBondContact O-N 3.04Å
773G92.8Very high93.8Very high4 Ų457.5 Ų57.54%0.04126%0.261CS..Hα-helixtrans-54.2-34.7179.200000113.9L742 Y775 W776 V777L742-G773 VanDerWaalsContact CD1-C 3.49Å; G773-Y775 PolarHBondContact O-N 3.19Å; G773-W776 PolarHBondContact O-N 3.02Å; G773-V777 PolarHBondContact O-N 3.42Å
774E93.7Very high94.2Very high108 Ų10847.4 Ų47.451%0.50522%0.223SC..Hα-helixtrans-59.2-45.3174.7-6080.9-179.900111.5L742 T772 W776 V777 E778L742-E774 HydrophobicContact CD1-CG 3.95Å; T772-E774 WeakPolarHBondContact CB-OE2 3.38Å; T772-E774 PolarHBondContact O-N 3.1Å; T772-E774 PolarHBondContact OG1-OE2 3.2Å; E774-W776 VanDerWaalsContact C-N 3.29Å; E774-W776 PolarHBondContact O-N 3.15Å; E774-V777 WeakPolarHBondContact O-CB 3.45Å; E774-V777 PolarHBondContact O-N 3.11Å; E774-E778 WeakPolarHBondContact O-CG 3.37Å; E774-E778 PolarHBondContact O-N 3.36Å
775Y95.4Very high94.3Very high2 Ų245.9 Ų45.91%0.00821%0.211CC..Hα-helixtrans-61.9-37.4178.4-174.2-108.2000112.3E629 S759 T761 L762 P769 F771 T772 G773 E778 N779E629-Y775 PolarHBondContact OE2-OH 3.44Å; S759-Y775 PolarHBondContact OG-OH 2.77Å; T761-Y775 HydrophobicContact CG2-CD2 4.3Å; T761-Y775 HydrophobicContact CG2-CE2 3.79Å; L762-Y775 HydrophobicContact CD2-CD2 4.22Å; L762-Y775 HydrophobicContact CD2-CE2 3.88Å; L762-Y775 HydrophobicContact CG-CE2 3.97Å; P769-Y775 HydrophobicContact CB-CD1 4.36Å; P769-Y775 HydrophobicContact CB-CD2 3.9Å; P769-Y775 HydrophobicContact CB-CE1 4.08Å; P769-Y775 HydrophobicContact CB-CE2 3.59Å; P769-Y775 HydrophobicContact CB-CG 4.26Å; P769-Y775 HydrophobicContact CG-CE2 4.02Å; F771-Y775 AromaticContact CD1-CD1 3.97Å; F771-Y775 HydrophobicContact CD1-CD1 3.97Å; F771-Y775 AromaticContact CD1-CE1 3.87Å; F771-Y775 HydrophobicContact CD1-CE1 3.87Å; F771-Y775 HydrophobicContact CE1-CE1 4.08Å; T772-Y775 WeakPolarHBondContact O-CB 3.42Å; T772-Y775 PolarHBondContact O-N 3.23Å; G773-Y775 PolarHBondContact O-N 3.19Å; Y775-E778 PolarHBondContact O-N 2.9Å; Y775-N779 WeakPolarHBondContact O-CB 3.18Å; Y775-N779 PolarHBondContact O-N 3.21Å
776W96Very high94.4Very high1 Ų145.4 Ų45.40%0.00421%0.208CC..Hα-helixtrans-76.1-25.2179.1-59.4112.5000113.2E629 A630 A633 L639 V647 L745 F771 T772 G773 E774 N779 L780E629-W776 HydrophobicContact CB-CH2 4.32Å; E629-W776 HydrophobicContact CB-CZ3 4Å; A630-W776 HydrophobicContact CB-CH2 4.24Å; A630-W776 HydrophobicContact CB-CZ3 4.21Å; A633-W776 HydrophobicContact CB-CH2 4.28Å; A633-W776 HydrophobicContact CB-CZ2 4.38Å; L639-W776 HydrophobicContact CD1-CZ2 3.69Å; V647-W776 HydrophobicContact CG1-CD2 3.52Å; V647-W776 HydrophobicContact CG1-CE3 3.73Å; V647-W776 HydrophobicContact CG1-CG 3.89Å; V647-W776 HydrophobicContact CG1-CZ2 4.37Å; V647-W776 HydrophobicContact CG1-CZ3 4.24Å; V647-W776 HydrophobicContact CG2-CD2 4.24Å; V647-W776 HydrophobicContact CG2-CG 4.19Å; L745-W776 HydrophobicContact CD1-CB 3.55Å; L745-W776 HydrophobicContact CD1-CG 3.96Å; F771-W776 HydrophobicContact CB-CZ2 4.29Å; F771-W776 HydrophobicContact CD1-CH2 4.19Å; F771-W776 AromaticContact CD1-CZ2 3.84Å; F771-W776 HydrophobicContact CD1-CZ2 3.84Å; F771-W776 PolarHBondContact O-NE1 3.33Å; T772-W776 PolarHBondContact O-N 3.04Å; G773-W776 PolarHBondContact O-N 3.02Å; E774-W776 VanDerWaalsContact C-N 3.29Å; E774-W776 PolarHBondContact O-N 3.15Å; W776-N779 HydrophobicContact CE3-CB 4.3Å; W776-L780 WeakPolarHBondContact O-CB 3.36Å; W776-L780 PolarHBondContact O-N 3.44Å
777V96.2Very high94.4Very high28 Ų2840.6 Ų40.617%0.1719%0.191CC..Hα-helixtrans-66.8-49.2165.11630000110.4L738 L741 L742 G773 E774 N779 L780 R781L738-V777 HydrophobicContact CB-CG1 4.08Å; L738-V777 HydrophobicContact CB-CG2 4.47Å; L738-V777 HydrophobicContact CD1-CG1 4.18Å; L738-V777 HydrophobicContact CD2-CG1 4.21Å; L738-V777 HydrophobicContact CG-CG1 4.37Å; L738-V777 WeakPolarHBondContact O-CG2 3.35Å; L741-V777 HydrophobicContact CB-CG2 4.23Å; L741-V777 HydrophobicContact CD2-CG2 4.15Å; L741-V777 HydrophobicContact CG-CG2 4.21Å; L742-V777 HydrophobicContact CB-CG2 4.1Å; G773-V777 PolarHBondContact O-N 3.42Å; E774-V777 WeakPolarHBondContact O-CB 3.45Å; E774-V777 PolarHBondContact O-N 3.11Å; V777-N779 PolarHBondContact O-N 3.04Å; V777-L780 PolarHBondContact O-N 2.87Å; V777-R781 VanDerWaalsContact O-CB 3.25Å; V777-R781 WeakPolarHBondContact O-CB 3.36Å; V777-R781 PolarHBondContact O-N 2.91Å
778E95.2Very high94.5Very high77 Ų7736.8 Ų36.836%0.3618%0.18SC..Hα-helixtrans-60.7-46.7177.6-67.3-166.4151.100112.2T761 E774 Y775 L780 R781 Y782T761-E778 HydrophobicContact CG2-CB 3.81Å; E774-E778 WeakPolarHBondContact O-CG 3.37Å; E774-E778 PolarHBondContact O-N 3.36Å; Y775-E778 PolarHBondContact O-N 2.9Å; E778-L780 PolarHBondContact O-N 3.06Å; E778-R781 PolarHBondContact O-N 2.9Å; E778-Y782 HydrophobicContact CB-CD2 3.92Å; E778-Y782 HydrophobicContact CB-CE2 4.38Å; E778-Y782 HydrophobicContact CG-CD2 4Å; E778-Y782 HydrophobicContact CG-CE2 3.95Å; E778-Y782 PolarHBondContact O-N 2.8Å
779N95.6Very high94.9Very high1 Ų129.6 Ų29.61%0.00515%0.152CC..Hα-helixtrans-65.3-13.6177.3175.4-93.6000113.9S626 E629 R651 H730 T761 Y775 W776 V777S626-N779 PolarHBondContact O-ND2 2.87Å; S626-N779 PolarHBondContact O-OD1 3.48Å; E629-N779 PolarHBondContact OE1-ND2 2.92Å; R651-N779 PolarHBondContact NH1-OD1 3.4Å; R651-N779 PolarHBondContact NH2-O 3.29Å; R651-N779 PolarHBondContact NH2-OD1 2.84Å; H730-N779 PolarHBondContact CE1-O 2.9Å; H730-N779 PolarHBondContact ND1-O 3.37Å; T761-N779 HydrophobicContact CG2-CB 3.93Å; T761-N779 WeakPolarHBondContact OG1-CB 3.24Å; T761-N779 PolarHBondContact OG1-ND2 3.22Å; Y775-N779 WeakPolarHBondContact O-CB 3.18Å; Y775-N779 PolarHBondContact O-N 3.21Å; W776-N779 HydrophobicContact CE3-CB 4.3Å; V777-N779 PolarHBondContact O-N 3.04Å
780L95Very high95.2Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-97.7-22.4171.4-178.557.6000112.7R651 M655 H730 V734 I737 L738 L741 W776 V777 E778R651-L780 HydrophobicContact CG-CD2 4.33Å; M655-L780 HydrophobicContact CE-CD1 3.7Å; M655-L780 HydrophobicContact CG-CD1 4.2Å; M655-L780 HydrophobicContact CG-CD2 4.25Å; M655-L780 HydrophobicContact SD-CD1 3.56Å; M655-L780 VanDerWaalsContact SD-CD1 3.56Å; M655-L780 HydrophobicContact SD-CD2 4.46Å; H730-L780 WeakPolarHBondContact CA-O 3.48Å; H730-L780 PolarHBondContact N-O 3.48Å; V734-L780 HydrophobicContact CB-CD2 4.4Å; V734-L780 HydrophobicContact CB-CG 4.15Å; V734-L780 HydrophobicContact CG1-CD1 4.05Å; V734-L780 HydrophobicContact CG1-CG 4.08Å; V734-L780 HydrophobicContact CG2-CG 4.12Å; V734-L780 WeakPolarHBondContact CG2-O 3.31Å; I737-L780 HydrophobicContact CD1-CD2 4.09Å; L738-L780 HydrophobicContact CD2-CD2 4.24Å; L738-L780 HydrophobicContact CD2-CG 4.48Å; L741-L780 HydrophobicContact CD2-CB 4.31Å; L741-L780 HydrophobicContact CD2-CD2 3.58Å; W776-L780 WeakPolarHBondContact O-CB 3.36Å; W776-L780 PolarHBondContact O-N 3.44Å; V777-L780 PolarHBondContact O-N 2.87Å; E778-L780 PolarHBondContact O-N 3.06Å
781R94.9Very high95.4Very high47 Ų4728.5 Ų28.518%0.17714%0.14CC..Hα-helixtrans-107.9-32.3-167.3179.952.2-179.483.2-1.4115.2H730 T731 V734 D735 L738 V777 E778H730-R781 CarbonylContact C-O 3.45Å; T731-R781 VanDerWaalsContact O-CD 3.27Å; T731-R781 WeakPolarHBondContact O-CD 3.48Å; V734-R781 HydrophobicContact CG2-CB 4.18Å; D735-R781 VanDerWaalsContact OD1-CD 3.24Å; D735-R781 WeakPolarHBondContact OD1-CD 3.19Å; D735-R781 IonicContact OD1-CZ 2.88Å; D735-R781 IonicContact OD1-NE 3.44Å; D735-R781 PolarHBondContact OD1-NE 2.99Å; D735-R781 IonicContact OD1-NH2 3.85Å; D735-R781 IonicContact OD2-CZ 2.87Å; D735-R781 IonicContact OD2-NE 3.24Å; D735-R781 IonicContact OD2-NH2 3.29Å; D735-R781 PolarHBondContact OD2-NH2 2.84Å; L738-R781 HydrophobicContact CD1-CB 3.91Å; L738-R781 HydrophobicContact CD1-CG 3.73Å; L738-R781 HydrophobicContact CD2-CB 4.32Å; V777-R781 VanDerWaalsContact O-CB 3.25Å; V777-R781 WeakPolarHBondContact O-CB 3.36Å; V777-R781 PolarHBondContact O-N 2.91Å; E778-R781 PolarHBondContact O-N 2.9Å
782Y95Very high95.4Very high122 Ų12228.7 Ų28.748%0.47814%0.142SC..SBendtrans-105.5161.2-174.1-64.2-54.1000112.7H730 E778 V784H730-Y782 WeakPolarHBondContact CB-O 3.14Å; E778-Y782 HydrophobicContact CB-CD2 3.92Å; E778-Y782 HydrophobicContact CB-CE2 4.38Å; E778-Y782 HydrophobicContact CG-CD2 4Å; E778-Y782 HydrophobicContact CG-CE2 3.95Å; E778-Y782 PolarHBondContact O-N 2.8Å; Y782-V784 PolarHBondContact O-N 3.12Å
783T95Very high95.4Very high37 Ų3726.8 Ų26.823%0.22713%0.13CC..  trans-58.5126.7-175.9-45.50000111.9L688 S689 V691 R785L688-T783 HydrophobicContact CB-CG2 3.88Å; L688-T783 WeakPolarHBondContact O-CB 3.44Å; L688-T783 WeakPolarHBondContact O-CG2 3.46Å; L688-T783 PolarHBondContact O-OG1 2.85Å; S689-T783 WeakPolarHBondContact O-CA 3.45Å; V691-T783 HydrophobicContact CG2-CG2 4.03Å; T783-R785 PolarHBondContact O-N 3.21Å; T783-R785 VanDerWaalsContact O-N 3.15Å
784V96.4Very high95.5Very high1 Ų126.6 Ų26.61%0.00613%0.128CC..BIsolated β-bridgetrans-71.1106.7174.8-1780000109.4S689 V690 V691 H730 A760 Y782 F786S689-V784 PolarHBondContact O-N 2.82Å; V690-V784 HydrophobicContact CB-CB 4.46Å; V690-V784 HydrophobicContact CG1-CB 4.22Å; V690-V784 HydrophobicContact CG2-CB 4.23Å; V690-V784 HydrophobicContact CG2-CG2 4.48Å; V691-V784 PolarHBondContact N-O 3.39Å; H730-V784 WeakPolarHBondContact NE2-CG2 3.44Å; A760-V784 HydrophobicContact CB-CG1 3.75Å; A760-V784 CarbonylContact O-C 3.11Å; A760-V784 WeakPolarHBondContact O-CA 3.46Å; Y782-V784 PolarHBondContact O-N 3.12Å; V784-F786 HydrophobicContact CG1-CB 4.23Å; V784-F786 PolarHBondContact O-N 3.48Å; V784-F786 VanDerWaalsContact O-N 3.14Å
785R95.6Very high95.3Very high46 Ų4626.2 Ų26.217%0.17413%0.125CC..  trans-84.745.4-179.5-55.2-169.8-173.276.77.6112.6A760 T761 L762 T783 A787 A788 A789A760-R785 PolarHBondContact O-N 2.98Å; T761-R785 PolarHBondContact O-NH1 2.89Å; L762-R785 PolarHBondContact O-NH1 2.8Å; T783-R785 PolarHBondContact O-N 3.21Å; T783-R785 VanDerWaalsContact O-N 3.15Å; R785-A787 VanDerWaalsContact C-N 3.26Å; R785-A787 PolarHBondContact O-N 3.02Å; R785-A788 HydrophobicContact CB-CB 4.18Å; R785-A788 WeakPolarHBondContact O-CB 3.33Å; R785-A788 PolarHBondContact O-N 2.95Å; R785-A789 PolarHBondContact O-N 3.33Å
786F96.6Very high95Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-56.3-38.6-174.9-179.6-107000113V540 I623 H625 V691 A760 V784 A788 A789 V790 L810 A813 V814V540-F786 HydrophobicContact CG1-CE2 3.92Å; V540-F786 HydrophobicContact CG1-CZ 3.79Å; I623-F786 HydrophobicContact CG2-CD2 3.93Å; I623-F786 HydrophobicContact CG2-CE2 3.69Å; H625-F786 HydrophobicContact CB-CD2 4.04Å; H625-F786 HydrophobicContact CB-CE2 4.45Å; H625-F786 AromaticContact CD2-CG 3.79Å; V691-F786 PolarHBondContact O-N 2.92Å; A760-F786 HydrophobicContact CB-CB 4.48Å; V784-F786 HydrophobicContact CG1-CB 4.23Å; V784-F786 PolarHBondContact O-N 3.48Å; V784-F786 VanDerWaalsContact O-N 3.14Å; F786-A788 VanDerWaalsContact C-N 3.29Å; F786-A788 PolarHBondContact O-N 2.87Å; F786-A789 PolarHBondContact O-N 2.86Å; F786-V790 HydrophobicContact CD1-CG2 4.05Å; F786-V790 HydrophobicContact CD2-CG2 4.3Å; F786-V790 HydrophobicContact CE1-CG2 3.56Å; F786-V790 HydrophobicContact CE2-CG2 3.84Å; F786-V790 HydrophobicContact CG-CG2 4.4Å; F786-V790 HydrophobicContact CZ-CG2 3.43Å; F786-V790 VanDerWaalsContact CZ-CG2 3.43Å; F786-V790 WeakPolarHBondContact O-CG2 3.39Å; F786-V790 PolarHBondContact O-N 2.83Å; F786-L810 HydrophobicContact CD1-CD2 4.29Å; F786-L810 HydrophobicContact CD2-CD1 4.39Å; F786-L810 HydrophobicContact CE1-CB 4.04Å; F786-L810 HydrophobicContact CE1-CD1 4.2Å; F786-L810 HydrophobicContact CE1-CD2 4.12Å; F786-L810 HydrophobicContact CE1-CG 4.35Å; F786-L810 HydrophobicContact CE2-CD1 3.91Å; F786-L810 HydrophobicContact CZ-CB 3.97Å; F786-L810 HydrophobicContact CZ-CD1 3.81Å; F786-L810 HydrophobicContact CZ-CG 4.33Å; F786-A813 HydrophobicContact CD1-CB 4.36Å; F786-A813 HydrophobicContact CE1-CB 4.08Å; F786-V814 HydrophobicContact CE1-CG2 4Å; F786-V814 HydrophobicContact CZ-CG2 3.82Å
787A95.4Very high94.7Very high6 Ų629.9 Ų29.95%0.0515%0.149CC..Hα-helixtrans-53.6-44173.500000112.8V691 A692 R785 Q791 N817V691-A787 HydrophobicContact CG1-CB 4.02Å; V691-A787 WeakPolarHBondContact O-CB 3.45Å; V691-A787 PolarHBondContact O-N 2.99Å; A692-A787 WeakPolarHBondContact O-CA 3.3Å; A692-A787 PolarHBondContact O-N 3.22Å; R785-A787 VanDerWaalsContact C-N 3.26Å; R785-A787 PolarHBondContact O-N 3.02Å; A787-Q791 WeakPolarHBondContact O-CB 3.46Å; A787-Q791 WeakPolarHBondContact O-CG 3.47Å; A787-Q791 PolarHBondContact O-N 3.21Å; A787-N817 WeakPolarHBondContact CA-OD1 3.2Å; A787-N817 WeakPolarHBondContact CB-OD1 3.29Å; A787-N817 PolarHBondContact O-OD1 2.81Å
788A94.7Very high94.5Very high34 Ų3429.9 Ų29.928%0.28115%0.146SC..Hα-helixtrans-66.5-41.5179.900000111.5P765 R785 F786 Q791 A792P765-A788 VanDerWaalsContact CG-C 3.49Å; P765-A788 HydrophobicContact CG-CB 3.63Å; R785-A788 HydrophobicContact CB-CB 4.18Å; R785-A788 WeakPolarHBondContact O-CB 3.33Å; R785-A788 PolarHBondContact O-N 2.95Å; F786-A788 VanDerWaalsContact C-N 3.29Å; F786-A788 PolarHBondContact O-N 2.87Å; A788-Q791 PolarHBondContact O-N 3.08Å; A788-A792 WeakPolarHBondContact O-CB 3.28Å; A788-A792 PolarHBondContact O-N 3.39Å
789A97Very high94.4Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-64.2-44.1178.400000112.5I623 P765 R785 F786 A792 A793I623-A789 HydrophobicContact CG2-CB 3.74Å; P765-A789 HydrophobicContact CB-CB 4.1Å; R785-A789 PolarHBondContact O-N 3.33Å; F786-A789 PolarHBondContact O-N 2.86Å; A789-A792 PolarHBondContact O-N 3.29Å; A789-A793 PolarHBondContact O-N 2.91Å; A789-A793 VanDerWaalsContact O-N 3.12Å
790V97.5Very high94.5Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-62.9-48.1174.3175.40000110.7I623 F786 A792 A793 L794 F801 V814 N817I623-V790 HydrophobicContact CD1-CG2 4.04Å; F786-V790 HydrophobicContact CD1-CG2 4.05Å; F786-V790 HydrophobicContact CD2-CG2 4.3Å; F786-V790 HydrophobicContact CE1-CG2 3.56Å; F786-V790 HydrophobicContact CE2-CG2 3.84Å; F786-V790 HydrophobicContact CG-CG2 4.4Å; F786-V790 HydrophobicContact CZ-CG2 3.43Å; F786-V790 VanDerWaalsContact CZ-CG2 3.43Å; F786-V790 WeakPolarHBondContact O-CG2 3.39Å; F786-V790 PolarHBondContact O-N 2.83Å; V790-A792 PolarHBondContact O-N 3.17Å; V790-A793 PolarHBondContact O-N 3.43Å; V790-L794 HydrophobicContact CG1-CD1 3.76Å; V790-L794 HydrophobicContact CG1-CG 4.19Å; V790-L794 WeakPolarHBondContact O-CB 3.29Å; V790-L794 VanDerWaalsContact O-CG 3.25Å; V790-L794 WeakPolarHBondContact O-CG 3.25Å; V790-L794 PolarHBondContact O-N 3.46Å; V790-F801 HydrophobicContact CG1-CE1 4.44Å; V790-V814 HydrophobicContact CG1-CB 4.4Å; V790-V814 HydrophobicContact CG1-CG1 3.96Å; V790-V814 HydrophobicContact CG1-CG2 4.38Å; V790-V814 HydrophobicContact CG2-CG2 3.99Å; V790-N817 HydrophobicContact CB-CB 4.29Å; V790-N817 HydrophobicContact CG1-CB 3.71Å
791Q95.4Very high94.6Very high44 Ų4427.3 Ų27.321%0.20613%0.134CC..Hα-helixtrans-63-27.1177.7-70.2175.131.100113.3A787 A788 K795 N817 L821A787-Q791 WeakPolarHBondContact O-CB 3.46Å; A787-Q791 WeakPolarHBondContact O-CG 3.47Å; A787-Q791 PolarHBondContact O-N 3.21Å; A788-Q791 PolarHBondContact O-N 3.08Å; Q791-K795 WeakPolarHBondContact O-CB 3.48Å; Q791-K795 VanDerWaalsContact O-CD 3.29Å; Q791-K795 WeakPolarHBondContact O-CD 3.45Å; Q791-K795 WeakPolarHBondContact O-CG 3.27Å; Q791-K795 PolarHBondContact O-N 2.92Å; Q791-K795 VanDerWaalsContact O-N 3.14Å; Q791-N817 HydrophobicContact CG-CB 4.24Å; Q791-N817 PolarHBondContact NE2-OD1 3.26Å; Q791-L821 HydrophobicContact CB-CD1 4.12Å; Q791-L821 HydrophobicContact CG-CD1 3.97Å; Q791-L821 HydrophobicContact CG-CG 4.4Å
792A95.8Very high94.7Very high4 Ų425.1 Ų25.13%0.03313%0.125CC..Hα-helixtrans-70.7-51173.700000111.4Y758 P765 R766 A788 A789 V790 L794 K795 D796Y758-A792 HydrophobicContact CD1-CB 3.53Å; Y758-A792 HydrophobicContact CE1-CB 3.75Å; P765-A792 HydrophobicContact CB-CB 4.08Å; P765-A792 HydrophobicContact CG-CB 4.4Å; R766-A792 HydrophobicContact CG-CB 4.37Å; R766-A792 PolarHBondContact NH2-O 2.99Å; A788-A792 WeakPolarHBondContact O-CB 3.28Å; A788-A792 PolarHBondContact O-N 3.39Å; A789-A792 PolarHBondContact O-N 3.29Å; V790-A792 PolarHBondContact O-N 3.17Å; A792-L794 VanDerWaalsContact C-N 3.32Å; A792-L794 PolarHBondContact O-N 3.25Å; A792-K795 PolarHBondContact O-N 3.13Å; A792-K795 VanDerWaalsContact O-N 3.16Å; A792-D796 VanDerWaalsContact O-CG 3.29Å; A792-D796 PolarHBondContact O-N 2.92Å
793A95Very high94.9Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-60.8-39.4175.600000112.4I623 Y758 A789 V790 K795 D796 G797 Y798 F801I623-A793 HydrophobicContact CD1-CB 4.08Å; Y758-A793 HydrophobicContact CD2-CB 3.99Å; Y758-A793 HydrophobicContact CE1-CB 4.36Å; Y758-A793 HydrophobicContact CE2-CB 3.81Å; Y758-A793 HydrophobicContact CG-CB 4.36Å; A789-A793 PolarHBondContact O-N 2.91Å; A789-A793 VanDerWaalsContact O-N 3.12Å; V790-A793 PolarHBondContact O-N 3.43Å; A793-K795 PolarHBondContact O-N 2.79Å; A793-D796 PolarHBondContact O-N 3.2Å; A793-G797 PolarHBondContact O-N 2.77Å; A793-Y798 HydrophobicContact CB-CD2 4.29Å; A793-Y798 WeakPolarHBondContact O-CD2 3.14Å; A793-Y798 PolarHBondContact O-N 3.12Å; A793-F801 HydrophobicContact CB-CE1 4.14Å; A793-F801 HydrophobicContact CB-CZ 4.13Å
794L93.2Very high95Very high0 Ų017.7 Ų17.70%09%0.093CC..Hα-helixtrans-60-44173.9-74.3174.4000112.3V790 A792 D796 G797 R799 F801 N817 A818 L821 M823 I825V790-L794 HydrophobicContact CG1-CD1 3.76Å; V790-L794 HydrophobicContact CG1-CG 4.19Å; V790-L794 WeakPolarHBondContact O-CB 3.29Å; V790-L794 VanDerWaalsContact O-CG 3.25Å; V790-L794 WeakPolarHBondContact O-CG 3.25Å; V790-L794 PolarHBondContact O-N 3.46Å; A792-L794 VanDerWaalsContact C-N 3.32Å; A792-L794 PolarHBondContact O-N 3.25Å; L794-D796 VanDerWaalsContact C-N 3.27Å; L794-D796 PolarHBondContact O-N 2.98Å; L794-G797 PolarHBondContact O-N 2.76Å; L794-R799 PolarHBondContact O-NH1 3.31Å; L794-F801 HydrophobicContact CD2-CE2 3.53Å; L794-F801 HydrophobicContact CD2-CZ 3.7Å; L794-F801 HydrophobicContact CG-CE2 4.28Å; L794-F801 HydrophobicContact CG-CZ 3.93Å; L794-N817 HydrophobicContact CD1-CB 4.36Å; L794-A818 HydrophobicContact CD1-CB 4.03Å; L794-A818 HydrophobicContact CD2-CB 4.41Å; L794-L821 HydrophobicContact CB-CD1 4Å; L794-L821 HydrophobicContact CD1-CD1 4Å; L794-M823 HydrophobicContact CB-SD 3.73Å; L794-M823 HydrophobicContact CD2-SD 4.27Å; L794-M823 HydrophobicContact CG-SD 4.44Å; L794-I825 HydrophobicContact CD2-CG2 3.54Å
795K89.5Confident94.9Very high101 Ų10117.7 Ų17.744%0.4399%0.093SC..Hα-helixtrans-68.6-24177.1-73.5166.2-172.2171.20113.6Q791 A792 A793 G797Q791-K795 WeakPolarHBondContact O-CB 3.48Å; Q791-K795 VanDerWaalsContact O-CD 3.29Å; Q791-K795 WeakPolarHBondContact O-CD 3.45Å; Q791-K795 WeakPolarHBondContact O-CG 3.27Å; Q791-K795 PolarHBondContact O-N 2.92Å; Q791-K795 VanDerWaalsContact O-N 3.14Å; A792-K795 PolarHBondContact O-N 3.13Å; A792-K795 VanDerWaalsContact O-N 3.16Å; A793-K795 PolarHBondContact O-N 2.79Å; K795-G797 VanDerWaalsContact C-N 3.27Å; K795-G797 PolarHBondContact O-N 3.43Å
796D90.9Very high94.8Very high58 Ų5815.5 Ų15.531%0.319%0.085SC..THydrogen-bonded Turntrans-86.94.3178.2-62.3-11.1000113.1R535 Y758 R766 A792 A793 L794 Y798R535-D796 PolarHBondContact NH1-O 2.97Å; Y758-D796 VanDerWaalsContact CE1-OD2 3.27Å; Y758-D796 WeakPolarHBondContact CE1-OD2 3.49Å; Y758-D796 WeakPolarHBondContact OH-CB 3.36Å; Y758-D796 PolarHBondContact OH-OD2 2.73Å; R766-D796 IonicContact CZ-OD1 3.53Å; R766-D796 IonicContact CZ-OD2 3.65Å; R766-D796 IonicContact NE-OD1 3.73Å; R766-D796 PolarHBondContact NE-OD1 3.08Å; R766-D796 VanDerWaalsContact NE-OD1 3.12Å; R766-D796 IonicContact NE-OD2 2.66Å; R766-D796 PolarHBondContact NE-OD2 2.79Å; R766-D796 IonicContact NH2-OD1 3.51Å; R766-D796 PolarHBondContact NH2-OD1 3.01Å; R766-D796 IonicContact NH2-OD2 3.17Å; A792-D796 VanDerWaalsContact O-CG 3.29Å; A792-D796 PolarHBondContact O-N 2.92Å; A793-D796 PolarHBondContact O-N 3.2Å; L794-D796 VanDerWaalsContact C-N 3.27Å; L794-D796 PolarHBondContact O-N 2.98Å; D796-Y798 HydrophobicContact CB-CD2 4.25Å; D796-Y798 HydrophobicContact CB-CE2 4.23Å
797G88Confident94.7Very high21 Ų2118 Ų1822%0.21610%0.096CC..THydrogen-bonded Turntrans96.510.3172.400000115.6A793 L794 K795A793-G797 PolarHBondContact O-N 2.77Å; L794-G797 PolarHBondContact O-N 2.76Å; K795-G797 VanDerWaalsContact C-N 3.27Å; K795-G797 PolarHBondContact O-N 3.43Å
798Y94Very high94.7Very high28 Ų2818.5 Ų18.511%0.1110%0.099CC..  trans-80.1137.6174.3-63.1-86000111.5V538 G620 A621 Y758 A793 D796V538-Y798 VanDerWaalsContact CG2-CB 3.43Å; V538-Y798 HydrophobicContact CG2-CD1 3.8Å; V538-Y798 HydrophobicContact CG2-CG 3.71Å; G620-Y798 VanDerWaalsContact C-CE1 3.42Å; G620-Y798 WeakPolarHBondContact O-CE1 3.09Å; G620-Y798 PolarHBondContact O-OH 2.82Å; A621-Y798 HydrophobicContact CB-CD1 4.21Å; A621-Y798 HydrophobicContact CB-CD2 4.32Å; A621-Y798 HydrophobicContact CB-CE1 3.77Å; A621-Y798 HydrophobicContact CB-CE2 3.9Å; A621-Y798 HydrophobicContact CB-CG 4.47Å; Y758-Y798 HydrophobicContact CE2-CE2 4.38Å; A793-Y798 HydrophobicContact CB-CD2 4.29Å; A793-Y798 WeakPolarHBondContact O-CD2 3.14Å; A793-Y798 PolarHBondContact O-N 3.12Å; D796-Y798 HydrophobicContact CB-CD2 4.25Å; D796-Y798 HydrophobicContact CB-CE2 4.23Å
799R92.9Very high94.5Very high18 Ų1820.5 Ų20.57%0.06811%0.105CC..  trans-129-18.4-173.6-61.4-70.6172.5-94.68.4115.1V530 L794 P824 I825 A826 D2028V530-R799 HydrophobicContact CB-CB 4.34Å; V530-R799 HydrophobicContact CG2-CB 4.21Å; V530-R799 VanDerWaalsContact O-CB 3.26Å; V530-R799 WeakPolarHBondContact O-CB 3.33Å; V530-R799 WeakPolarHBondContact O-CG 3.28Å; L794-R799 PolarHBondContact O-NH1 3.31Å; R799-P824 VanDerWaalsContact CD-O 3.22Å; R799-P824 WeakPolarHBondContact CD-O 3.38Å; R799-I825 VanDerWaalsContact O-CA 3.3Å; R799-I825 WeakPolarHBondContact O-CA 3.27Å; R799-I825 WeakPolarHBondContact O-CB 3.37Å; R799-A826 PolarHBondContact O-N 2.8Å; R799-D2028 IonicContact CZ-OD2 3.45Å; R799-D2028 IonicContact NE-OD2 2.72Å; R799-D2028 PolarHBondContact NE-OD2 2.89Å; R799-D2028 VanDerWaalsContact NH2-CG 3.33Å; R799-D2028 IonicContact NH2-OD1 2.78Å; R799-D2028 PolarHBondContact NH2-OD1 3.39Å; R799-D2028 VanDerWaalsContact NH2-OD1 3.12Å; R799-D2028 IonicContact NH2-OD2 2.85Å; R799-D2028 PolarHBondContact NH2-OD2 2.85Å
800V96.4Very high94.4Very high4 Ų421 Ų212%0.02411%0.107CC..EExtended strand (participates in β ladder)trans-111.3119.7179.2-175.90000109.1V530 P537 V538 L828 A851 A853V530-V800 HydrophobicContact CG2-CG2 4.17Å; P537-V800 HydrophobicContact CB-CB 4.34Å; P537-V800 HydrophobicContact CB-CG1 4.04Å; V538-V800 PolarHBondContact N-O 3.09Å; V800-L828 HydrophobicContact CG1-CD1 4.05Å; V800-A851 HydrophobicContact CB-CB 4.44Å; V800-A851 HydrophobicContact CG1-CB 3.73Å; V800-A851 HydrophobicContact CG2-CB 3.83Å; V800-A851 VanDerWaalsContact CG2-O 3.27Å; V800-A851 WeakPolarHBondContact CG2-O 3.26Å; V800-A853 HydrophobicContact CB-CB 4.07Å; V800-A853 HydrophobicContact CG1-CB 4.15Å; V800-A853 HydrophobicContact CG2-CB 4.07Å
801F98Very high94.2Very high3 Ų321.9 Ų21.91%0.01311%0.113CC..EExtended strand (participates in β ladder)trans-121.2118.2-177.9-69.3-105000109.3V538 V540 I623 V790 A793 L794 V814 I825 A826 T827 L828V538-F801 HydrophobicContact CB-CD1 3.59Å; V538-F801 HydrophobicContact CB-CE1 3.82Å; V538-F801 HydrophobicContact CB-CG 4.07Å; V538-F801 HydrophobicContact CB-CZ 4.47Å; V538-F801 HydrophobicContact CG1-CD1 3.79Å; V538-F801 HydrophobicContact CG1-CE1 3.82Å; V538-F801 HydrophobicContact CG2-CD1 3.98Å; V538-F801 HydrophobicContact CG2-CE1 3.78Å; V538-F801 HydrophobicContact CG2-CE2 4.34Å; V538-F801 HydrophobicContact CG2-CG 4.36Å; V538-F801 HydrophobicContact CG2-CZ 3.96Å; V538-F801 CarbonylContact O-C 3.59Å; V538-F801 WeakPolarHBondContact O-CA 3.33Å; V540-F801 HydrophobicContact CG2-CB 4.43Å; V540-F801 HydrophobicContact CG2-CD1 4.04Å; I623-F801 HydrophobicContact CD1-CE1 4.03Å; V790-F801 HydrophobicContact CG1-CE1 4.44Å; A793-F801 HydrophobicContact CB-CE1 4.14Å; A793-F801 HydrophobicContact CB-CZ 4.13Å; L794-F801 HydrophobicContact CD2-CE2 3.53Å; L794-F801 HydrophobicContact CD2-CZ 3.7Å; L794-F801 HydrophobicContact CG-CE2 4.28Å; L794-F801 HydrophobicContact CG-CZ 3.93Å; F801-V814 HydrophobicContact CB-CG1 4.02Å; F801-V814 HydrophobicContact CD1-CG1 3.93Å; F801-V814 HydrophobicContact CD2-CG1 4.12Å; F801-V814 HydrophobicContact CE1-CG1 4.44Å; F801-V814 HydrophobicContact CG-CG1 3.76Å; F801-I825 HydrophobicContact CE2-CG2 4.48Å; F801-A826 PolarHBondContact N-O 2.92Å; F801-T827 HydrophobicContact CB-CG2 4.44Å; F801-T827 WeakPolarHBondContact O-CA 3.28Å; F801-L828 PolarHBondContact O-N 3.25Å
802G97.1Very high94Very high0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-106.5115.917600000111.2V538 W539 V540 L804 L828V538-G802 PolarHBondContact O-N 2.89Å; W539-G802 WeakPolarHBondContact CA-O 3.37Å; V540-G802 PolarHBondContact N-O 2.74Å; G802-L804 PolarHBondContact O-N 2.94Å; G802-L828 CarbonylContact C-O 3.43Å; G802-L828 WeakPolarHBondContact CA-O 3.38Å
803E97.9Very high93.8Very high4 Ų426.6 Ų26.62%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-77.2111.7171-164.8177.9156.600110.1V540 S542 A805 P808 L809 L810 T811 L828 A830V540-E803 HydrophobicContact CB-CB 4.47Å; V540-E803 HydrophobicContact CB-CG 4.47Å; V540-E803 HydrophobicContact CG1-CG 4.3Å; V540-E803 WeakPolarHBondContact O-CA 3.44Å; S542-E803 WeakPolarHBondContact CB-OE1 3.31Å; S542-E803 PolarHBondContact OG-OE1 3.37Å; E803-A805 HydrophobicContact CG-CB 4.16Å; E803-A805 PolarHBondContact O-N 2.72Å; E803-P808 VanDerWaalsContact CD-CA 3.48Å; E803-P808 WeakPolarHBondContact OE1-CA 3.14Å; E803-P808 WeakPolarHBondContact OE2-CA 3.32Å; E803-P808 WeakPolarHBondContact OE2-CB 3.47Å; E803-L809 VanDerWaalsContact CD-N 3.33Å; E803-L809 PolarHBondContact OE1-N 2.84Å; E803-L809 PolarHBondContact OE2-N 3.18Å; E803-L809 VanDerWaalsContact OE2-N 3.12Å; E803-L810 WeakPolarHBondContact OE2-CA 3.31Å; E803-L810 PolarHBondContact OE2-N 3.25Å; E803-T811 HydrophobicContact CB-CG2 4.1Å; E803-T811 PolarHBondContact OE2-N 2.91Å; E803-L828 PolarHBondContact N-O 2.99Å; E803-A830 PolarHBondContact O-N 2.66Å
804L97.3Very high93.9Very high0 Ų026.7 Ų26.70%013%0.131CC..  trans-90.296.2173.3-56-166.1000107.4W539 V540 F541 Q605 L608 A609 L612 G802 A830 F844W539-L804 HydrophobicContact CB-CD1 4.03Å; W539-L804 HydrophobicContact CB-CG 4.23Å; W539-L804 HydrophobicContact CD2-CD1 3.85Å; W539-L804 HydrophobicContact CD2-CD2 4.29Å; W539-L804 HydrophobicContact CD2-CG 4.11Å; W539-L804 HydrophobicContact CE3-CD2 4.17Å; W539-L804 HydrophobicContact CE3-CG 4.32Å; W539-L804 HydrophobicContact CG-CD1 3.6Å; W539-L804 HydrophobicContact CG-CG 4.09Å; W539-L804 HydrophobicContact CZ3-CD2 4.44Å; V540-L804 PolarHBondContact O-N 2.77Å; F541-L804 HydrophobicContact CD1-CB 4.15Å; F541-L804 HydrophobicContact CE1-CB 3.83Å; F541-L804 HydrophobicContact CE1-CD1 3.89Å; F541-L804 HydrophobicContact CE1-CG 4.34Å; F541-L804 HydrophobicContact CZ-CB 4.49Å; F541-L804 HydrophobicContact CZ-CD1 3.86Å; Q605-L804 WeakPolarHBondContact CG-O 3.4Å; Q605-L804 PolarHBondContact NE2-O 2.88Å; L608-L804 HydrophobicContact CB-CB 4.4Å; L608-L804 HydrophobicContact CB-CD1 4.44Å; L608-L804 HydrophobicContact CD1-CB 4.12Å; A609-L804 HydrophobicContact CB-CD1 3.79Å; L612-L804 HydrophobicContact CD1-CD1 4.17Å; L612-L804 HydrophobicContact CD1-CD2 3.54Å; G802-L804 PolarHBondContact O-N 2.94Å; L804-A830 HydrophobicContact CD2-CB 3.7Å; L804-F844 HydrophobicContact CD2-CE1 4.14Å; L804-F844 HydrophobicContact CD2-CZ 4.12Å
805A94.9Very high93.9Very high1 Ų129.9 Ų29.91%0.00815%0.146CC..SBendtrans-159.6159.5179.200000110.2S542 E803 H807 M831S542-A805 WeakPolarHBondContact OG-CB 3.37Å; E803-A805 HydrophobicContact CG-CB 4.16Å; E803-A805 PolarHBondContact O-N 2.72Å; A805-H807 PolarHBondContact O-N 3.22Å; A805-M831 WeakPolarHBondContact O-CB 3.47Å
806P93.9Very high94.1Very high0 Ų026.3 Ų26.30%013%0.131CC..SBendtrans-59.7-23.3172.9-19.527.3000114.7W548 M551 V604 M831W548-P806 PolarHBondContact NE1-O 3.19Å; M551-P806 HydrophobicContact CB-CB 4.22Å; M551-P806 HydrophobicContact CE-CG 4.25Å; M551-P806 HydrophobicContact CG-CB 4.3Å; M551-P806 HydrophobicContact SD-CB 3.62Å; M551-P806 HydrophobicContact SD-CG 3.66Å; V604-P806 HydrophobicContact CB-CG 4.22Å; V604-P806 HydrophobicContact CG1-CG 3.98Å; V604-P806 HydrophobicContact CG2-CG 4.42Å; P806-M831 WeakPolarHBondContact O-CB 3.43Å
807H94.8Very high94.3Very high51 Ų5123.5 Ų23.524%0.23612%0.116CC..SBendtrans-161137.1174.4-179.857.5000107.7S546 A805 M831 R833S546-H807 WeakPolarHBondContact CB-O 3.38Å; S546-H807 WeakPolarHBondContact O-CB 3.37Å; A805-H807 PolarHBondContact O-N 3.22Å; H807-M831 WeakPolarHBondContact CA-O 3.25Å; H807-R833 HydrophobicContact CB-CB 4.33Å; H807-R833 PolarHBondContact ND1-N 3.04Å
808P93.8Very high94.5Very high17 Ų1722.6 Ų22.611%0.1111%0.106CC..  trans-64.9137.9-177.624.4-35.7000112.6E803 T811 A829 M831 R832E803-P808 VanDerWaalsContact CD-CA 3.48Å; E803-P808 WeakPolarHBondContact OE1-CA 3.14Å; E803-P808 WeakPolarHBondContact OE2-CA 3.32Å; E803-P808 WeakPolarHBondContact OE2-CB 3.47Å; P808-T811 HydrophobicContact CB-CG2 3.72Å; P808-A829 HydrophobicContact CB-CB 3.89Å; P808-A829 HydrophobicContact CG-CB 3.67Å; P808-M831 WeakPolarHBondContact CD-O 3.5Å; P808-R832 HydrophobicContact CG-CG 4.24Å
809L91.6Very high94.1Very high77 Ų7724.3 Ų24.340%0.40313%0.126SC..SBendtrans-122.7-17.3172.9-61.1-179.1000112.4E803E803-L809 VanDerWaalsContact CD-N 3.33Å; E803-L809 PolarHBondContact OE1-N 2.84Å; E803-L809 PolarHBondContact OE2-N 3.18Å; E803-L809 VanDerWaalsContact OE2-N 3.12Å
810L93.8Very high93.7Very high11 Ų1125.4 Ų25.46%0.05814%0.136CC..SBendtrans-123.1-12.3-167.5-63.8178.5000114.2V540 H625 F786 E803 Y812 A813 V814V540-L810 HydrophobicContact CG1-CB 4.17Å; V540-L810 HydrophobicContact CG1-CD1 3.95Å; H625-L810 HydrophobicContact CB-CD1 3.54Å; F786-L810 HydrophobicContact CD1-CD2 4.29Å; F786-L810 HydrophobicContact CD2-CD1 4.39Å; F786-L810 HydrophobicContact CE1-CB 4.04Å; F786-L810 HydrophobicContact CE1-CD1 4.2Å; F786-L810 HydrophobicContact CE1-CD2 4.12Å; F786-L810 HydrophobicContact CE1-CG 4.35Å; F786-L810 HydrophobicContact CE2-CD1 3.91Å; F786-L810 HydrophobicContact CZ-CB 3.97Å; F786-L810 HydrophobicContact CZ-CD1 3.81Å; F786-L810 HydrophobicContact CZ-CG 4.33Å; E803-L810 WeakPolarHBondContact OE2-CA 3.31Å; E803-L810 PolarHBondContact OE2-N 3.25Å; L810-Y812 VanDerWaalsContact C-N 3.28Å; L810-Y812 PolarHBondContact O-N 3.4Å; L810-A813 CarbonylContact O-C 3.6Å; L810-A813 WeakPolarHBondContact O-CA 3.34Å; L810-A813 WeakPolarHBondContact O-CB 3.4Å; L810-A813 PolarHBondContact O-N 3.22Å; L810-V814 WeakPolarHBondContact O-CG2 3.43Å; L810-V814 PolarHBondContact O-N 2.81Å
811T93.7Very high93.1Very high18 Ų1825.8 Ų25.811%0.1114%0.138CC..Hα-helixtrans-49.2-49175.862.70000112.1E803 P808 A813 V814 E815E803-T811 HydrophobicContact CB-CG2 4.1Å; E803-T811 PolarHBondContact OE2-N 2.91Å; P808-T811 HydrophobicContact CB-CG2 3.72Å; T811-A813 VanDerWaalsContact C-N 3.3Å; T811-A813 PolarHBondContact O-N 2.9Å; T811-V814 CarbonylContact O-C 3.59Å; T811-V814 WeakPolarHBondContact O-CA 3.41Å; T811-V814 WeakPolarHBondContact O-CB 3.46Å; T811-V814 PolarHBondContact O-N 2.91Å; T811-E815 WeakPolarHBondContact CB-OE1 3.3Å; T811-E815 VanDerWaalsContact O-CD 3.31Å; T811-E815 WeakPolarHBondContact O-CG 3.43Å; T811-E815 PolarHBondContact O-N 2.81Å; T811-E815 VanDerWaalsContact O-OE1 3.13Å
812Y90.9Very high92.2Very high138 Ų13828.5 Ų28.554%0.54115%0.153SC..Hα-helixtrans-63.8-32.1178-173.7-114.7000113.5L810 E815 Q816L810-Y812 VanDerWaalsContact C-N 3.28Å; L810-Y812 PolarHBondContact O-N 3.4Å; Y812-E815 WeakPolarHBondContact CA-OE2 3.26Å; Y812-Q816 HydrophobicContact CD1-CG 4.44Å; Y812-Q816 VanDerWaalsContact CE1-CD 3.47Å; Y812-Q816 HydrophobicContact CE1-CG 4.02Å; Y812-Q816 HydrophobicContact CE2-CG 4.28Å; Y812-Q816 VanDerWaalsContact CZ-NE2 3.34Å; Y812-Q816 WeakPolarHBondContact O-CB 3.37Å; Y812-Q816 WeakPolarHBondContact O-CG 3.36Å; Y812-Q816 PolarHBondContact O-N 2.7Å; Y812-Q816 PolarHBondContact OH-NE2 2.9Å; Y812-Q816 VanDerWaalsContact OH-NE2 3.11Å
813A92.4Very high91.6Very high8 Ų829.1 Ų29.17%0.06616%0.156CC..Hα-helixtrans-70.6-36.5172.600000111.4A692 F786 L810 T811 N817A692-A813 HydrophobicContact CB-CB 4.05Å; F786-A813 HydrophobicContact CD1-CB 4.36Å; F786-A813 HydrophobicContact CE1-CB 4.08Å; L810-A813 CarbonylContact O-C 3.6Å; L810-A813 WeakPolarHBondContact O-CA 3.34Å; L810-A813 WeakPolarHBondContact O-CB 3.4Å; L810-A813 PolarHBondContact O-N 3.22Å; T811-A813 VanDerWaalsContact C-N 3.3Å; T811-A813 PolarHBondContact O-N 2.9Å; A813-N817 PolarHBondContact O-N 3.49Å; A813-N817 PolarHBondContact O-ND2 2.75Å
814V96.4Very high91.1Very high3 Ų331.5 Ų31.52%0.01817%0.172CC..Hα-helixtrans-65.5-44.8173.61790000110.6V540 F786 V790 F801 L810 T811 N817 A818 I825 T827V540-V814 HydrophobicContact CG2-CG2 4.47Å; F786-V814 HydrophobicContact CE1-CG2 4Å; F786-V814 HydrophobicContact CZ-CG2 3.82Å; V790-V814 HydrophobicContact CG1-CB 4.4Å; V790-V814 HydrophobicContact CG1-CG1 3.96Å; V790-V814 HydrophobicContact CG1-CG2 4.38Å; V790-V814 HydrophobicContact CG2-CG2 3.99Å; F801-V814 HydrophobicContact CB-CG1 4.02Å; F801-V814 HydrophobicContact CD1-CG1 3.93Å; F801-V814 HydrophobicContact CD2-CG1 4.12Å; F801-V814 HydrophobicContact CE1-CG1 4.44Å; F801-V814 HydrophobicContact CG-CG1 3.76Å; L810-V814 WeakPolarHBondContact O-CG2 3.43Å; L810-V814 PolarHBondContact O-N 2.81Å; T811-V814 CarbonylContact O-C 3.59Å; T811-V814 WeakPolarHBondContact O-CA 3.41Å; T811-V814 WeakPolarHBondContact O-CB 3.46Å; T811-V814 PolarHBondContact O-N 2.91Å; V814-N817 PolarHBondContact O-N 2.87Å; V814-A818 PolarHBondContact O-N 2.96Å; V814-I825 HydrophobicContact CG1-CD1 3.79Å; V814-T827 HydrophobicContact CB-CG2 3.8Å; V814-T827 HydrophobicContact CG1-CG2 3.71Å
815E94.6Very high90.8Very high67 Ų6733.2 Ų33.231%0.31318%0.18SC..Hα-helixtrans-55.9-50.1172.7-72.6144.9-137.200111.8T811 Y812 N817 A818 A819 I825 T827T811-E815 WeakPolarHBondContact CB-OE1 3.3Å; T811-E815 VanDerWaalsContact O-CD 3.31Å; T811-E815 WeakPolarHBondContact O-CG 3.43Å; T811-E815 PolarHBondContact O-N 2.81Å; T811-E815 VanDerWaalsContact O-OE1 3.13Å; Y812-E815 WeakPolarHBondContact CA-OE2 3.26Å; E815-N817 VanDerWaalsContact C-N 3.3Å; E815-N817 PolarHBondContact O-N 2.83Å; E815-A818 PolarHBondContact O-N 3.25Å; E815-A819 WeakPolarHBondContact O-CB 3.32Å; E815-A819 PolarHBondContact O-N 2.94Å; E815-I825 HydrophobicContact CG-CD1 4.43Å; E815-T827 HydrophobicContact CG-CG2 4.03Å; E815-T827 WeakPolarHBondContact CG-OG1 3.4Å; E815-T827 VanDerWaalsContact OE1-CB 3.31Å; E815-T827 WeakPolarHBondContact OE1-CB 3.32Å; E815-T827 PolarHBondContact OE1-OG1 3.5Å
816Q93Very high90.8Very high25 Ų2534 Ų3412%0.11719%0.187CC..Hα-helixtrans-61.5-34.3176.7-76.4-176.2-2800112.9S693 T695 Y812 S820S693-Q816 VanDerWaalsContact CB-OE1 3.3Å; S693-Q816 PolarHBondContact OG-OE1 3.38Å; T695-Q816 VanDerWaalsContact OG1-CD 3.24Å; T695-Q816 PolarHBondContact OG1-NE2 3.02Å; T695-Q816 VanDerWaalsContact OG1-NE2 3.12Å; T695-Q816 PolarHBondContact OG1-OE1 3.29Å; Y812-Q816 HydrophobicContact CD1-CG 4.44Å; Y812-Q816 VanDerWaalsContact CE1-CD 3.47Å; Y812-Q816 HydrophobicContact CE1-CG 4.02Å; Y812-Q816 HydrophobicContact CE2-CG 4.28Å; Y812-Q816 VanDerWaalsContact CZ-NE2 3.34Å; Y812-Q816 WeakPolarHBondContact O-CB 3.37Å; Y812-Q816 WeakPolarHBondContact O-CG 3.36Å; Y812-Q816 PolarHBondContact O-N 2.7Å; Y812-Q816 PolarHBondContact OH-NE2 2.9Å; Y812-Q816 VanDerWaalsContact OH-NE2 3.11Å; Q816-S820 WeakPolarHBondContact O-CB 3.17Å; Q816-S820 PolarHBondContact O-N 2.89Å; Q816-S820 VanDerWaalsContact O-N 3.11Å
817N95.3Very high90.9Very high0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-69.9-43.3174.3-80.2-75.6000112.1A692 A787 V790 Q791 L794 A813 V814 E815 S820 L821A692-N817 PolarHBondContact O-ND2 3.11Å; A787-N817 WeakPolarHBondContact CA-OD1 3.2Å; A787-N817 WeakPolarHBondContact CB-OD1 3.29Å; A787-N817 PolarHBondContact O-OD1 2.81Å; V790-N817 HydrophobicContact CB-CB 4.29Å; V790-N817 HydrophobicContact CG1-CB 3.71Å; Q791-N817 HydrophobicContact CG-CB 4.24Å; Q791-N817 PolarHBondContact NE2-OD1 3.26Å; L794-N817 HydrophobicContact CD1-CB 4.36Å; A813-N817 PolarHBondContact O-N 3.49Å; A813-N817 PolarHBondContact O-ND2 2.75Å; V814-N817 PolarHBondContact O-N 2.87Å; E815-N817 VanDerWaalsContact C-N 3.3Å; E815-N817 PolarHBondContact O-N 2.83Å; N817-S820 PolarHBondContact O-N 3.39Å; N817-S820 PolarHBondContact O-OG 3.12Å; N817-L821 PolarHBondContact O-N 3.26Å
818A90.9Very high90.9Very high2 Ų234.2 Ų34.22%0.01719%0.191CC..Hα-helixtrans-66.1-41.8177.100000112.4L794 V814 E815 S820 L821 D822 M823 I825L794-A818 HydrophobicContact CD1-CB 4.03Å; L794-A818 HydrophobicContact CD2-CB 4.41Å; V814-A818 PolarHBondContact O-N 2.96Å; E815-A818 PolarHBondContact O-N 3.25Å; A818-S820 VanDerWaalsContact C-N 3.25Å; A818-S820 PolarHBondContact O-N 3.1Å; A818-L821 CarbonylContact O-C 3.52Å; A818-L821 PolarHBondContact O-N 3.47Å; A818-D822 PolarHBondContact O-N 3.22Å; A818-M823 PolarHBondContact O-N 3.45Å; A818-I825 HydrophobicContact CB-CB 4.31Å; A818-I825 HydrophobicContact CB-CD1 3.57Å; A818-I825 HydrophobicContact CB-CG1 3.69Å; A818-I825 HydrophobicContact CB-CG2 3.63Å
819A86.6Confident90.9Very high63 Ų6334.1 Ų34.152%0.52119%0.192SC..Hα-helixtrans-60.9-32.4173.100000112.6E815 L821 D822E815-A819 WeakPolarHBondContact O-CB 3.32Å; E815-A819 PolarHBondContact O-N 2.94Å; A819-L821 VanDerWaalsContact C-N 3.31Å; A819-L821 PolarHBondContact O-N 2.89Å; A819-D822 PolarHBondContact O-N 3.49Å
820S85.1Confident91Very high41 Ų4130.6 Ų30.629%0.28717%0.174SC..Hα-helixtrans-73.4-20.1174.279.10000114.6Q816 N817 A818Q816-S820 WeakPolarHBondContact O-CB 3.17Å; Q816-S820 PolarHBondContact O-N 2.89Å; Q816-S820 VanDerWaalsContact O-N 3.11Å; N817-S820 PolarHBondContact O-N 3.39Å; N817-S820 PolarHBondContact O-OG 3.12Å; A818-S820 VanDerWaalsContact C-N 3.25Å; A818-S820 PolarHBondContact O-N 3.1Å
821L83.8Confident91.1Very high12 Ų1230.6 Ų30.66%0.06317%0.173CC..Hα-helixtrans-99.6-4.2175.6-66.3-177000113.2Q791 L794 N817 A818 A819 M823 R2067Q791-L821 HydrophobicContact CB-CD1 4.12Å; Q791-L821 HydrophobicContact CG-CD1 3.97Å; Q791-L821 HydrophobicContact CG-CG 4.4Å; L794-L821 HydrophobicContact CB-CD1 4Å; L794-L821 HydrophobicContact CD1-CD1 4Å; N817-L821 PolarHBondContact O-N 3.26Å; A818-L821 CarbonylContact O-C 3.52Å; A818-L821 PolarHBondContact O-N 3.47Å; A819-L821 VanDerWaalsContact C-N 3.31Å; A819-L821 PolarHBondContact O-N 2.89Å; L821-M823 HydrophobicContact CB-CG 4.11Å; L821-M823 HydrophobicContact CB-SD 4.13Å; L821-M823 HydrophobicContact CD1-CE 4.47Å; L821-M823 HydrophobicContact CD1-SD 4.16Å; L821-R2067 PolarHBondContact O-NH2 2.87Å
822D78.3Confident91.1Very high61 Ų6134.4 Ų34.433%0.32619%0.186SC..THydrogen-bonded Turntrans57.943.5-173.6-49.7-64.7000113A818 A819 R2009 P2029A818-D822 PolarHBondContact O-N 3.22Å; A819-D822 PolarHBondContact O-N 3.49Å; D822-R2009 VanDerWaalsContact CG-NH1 3.31Å; D822-R2009 IonicContact OD1-CZ 3.67Å; D822-R2009 VanDerWaalsContact OD1-CZ 3.24Å; D822-R2009 IonicContact OD1-NH1 3.96Å; D822-R2009 PolarHBondContact OD1-NH1 3.15Å; D822-R2009 IonicContact OD1-NH2 2.64Å; D822-R2009 PolarHBondContact OD1-NH2 3.15Å; D822-R2009 IonicContact OD2-CZ 3.63Å; D822-R2009 IonicContact OD2-NH1 3.32Å; D822-R2009 PolarHBondContact OD2-NH1 3.39Å; D822-R2009 IonicContact OD2-NH2 3.84Å; D822-P2029 WeakPolarHBondContact O-CD 3.35Å; D822-P2029 WeakPolarHBondContact O-CG 3.27Å
823M85.3Confident91.1Very high13 Ų1333.9 Ų33.96%0.06418%0.183CC..  trans-111138.9-179-70.3177.2170.200113.2L794 A818 L821 P2029 D2030L794-M823 HydrophobicContact CB-SD 3.73Å; L794-M823 HydrophobicContact CD2-SD 4.27Å; L794-M823 HydrophobicContact CG-SD 4.44Å; A818-M823 PolarHBondContact O-N 3.45Å; L821-M823 HydrophobicContact CB-CG 4.11Å; L821-M823 HydrophobicContact CB-SD 4.13Å; L821-M823 HydrophobicContact CD1-CE 4.47Å; L821-M823 HydrophobicContact CD1-SD 4.16Å; M823-P2029 HydrophobicContact CG-CG 4.29Å; M823-D2030 HydrophobicContact CE-CB 4.07Å; M823-D2030 WeakPolarHBondContact CE-OD2 3.48Å
824P85.7Confident90.6Very high54 Ų5436.9 Ų36.935%0.35122%0.215SC..  trans-75.3138.217031.9-33.7000111.2V530 R799V530-P824 HydrophobicContact CG1-CB 4.27Å; R799-P824 VanDerWaalsContact CD-O 3.22Å; R799-P824 WeakPolarHBondContact CD-O 3.38Å
825I92.8Very high90.1Very high35 Ų3541.7 Ų41.718%0.17924%0.237CC..  trans-146.3167.5179.162.5158000112.2L794 R799 F801 V814 E815 A818 T827L794-I825 HydrophobicContact CD2-CG2 3.54Å; R799-I825 VanDerWaalsContact O-CA 3.3Å; R799-I825 WeakPolarHBondContact O-CA 3.27Å; R799-I825 WeakPolarHBondContact O-CB 3.37Å; F801-I825 HydrophobicContact CE2-CG2 4.48Å; V814-I825 HydrophobicContact CG1-CD1 3.79Å; E815-I825 HydrophobicContact CG-CD1 4.43Å; A818-I825 HydrophobicContact CB-CB 4.31Å; A818-I825 HydrophobicContact CB-CD1 3.57Å; A818-I825 HydrophobicContact CB-CG1 3.69Å; A818-I825 HydrophobicContact CB-CG2 3.63Å; I825-T827 HydrophobicContact CD1-CG2 3.8Å
826A93.7Very high89.5Confident18 Ų1845.5 Ų45.515%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-122.5120.5169.100000109.8V530 R799 F801 A851V530-A826 HydrophobicContact CG2-CB 3.61Å; R799-A826 PolarHBondContact O-N 2.8Å; F801-A826 PolarHBondContact N-O 2.92Å; A826-A851 HydrophobicContact CB-CB 3.65Å
827T95.5Very high89.1Confident30 Ų3045.9 Ų45.918%0.18426%0.257CS..EExtended strand (participates in β ladder)trans-106.6100177.532.60000111.1F801 V814 E815 I825F801-T827 HydrophobicContact CB-CG2 4.44Å; F801-T827 WeakPolarHBondContact O-CA 3.28Å; V814-T827 HydrophobicContact CB-CG2 3.8Å; V814-T827 HydrophobicContact CG1-CG2 3.71Å; E815-T827 HydrophobicContact CG-CG2 4.03Å; E815-T827 WeakPolarHBondContact CG-OG1 3.4Å; E815-T827 VanDerWaalsContact OE1-CB 3.31Å; E815-T827 WeakPolarHBondContact OE1-CB 3.32Å; E815-T827 PolarHBondContact OE1-OG1 3.5Å; I825-T827 HydrophobicContact CD1-CG2 3.8Å
828L95.8Very high88.3Confident26 Ų2650.8 Ų50.814%0.13629%0.289CS..EExtended strand (participates in β ladder)trans-96.5151.7-178.2-50.2-179.9000109.9V800 F801 G802 E803 F844 D847 V848 A851V800-L828 HydrophobicContact CG1-CD1 4.05Å; F801-L828 PolarHBondContact O-N 3.25Å; G802-L828 CarbonylContact C-O 3.43Å; G802-L828 WeakPolarHBondContact CA-O 3.38Å; E803-L828 PolarHBondContact N-O 2.99Å; L828-F844 HydrophobicContact CB-CD2 4.22Å; L828-F844 HydrophobicContact CB-CE2 3.48Å; L828-F844 VanDerWaalsContact CB-CE2 3.48Å; L828-F844 HydrophobicContact CB-CZ 4.13Å; L828-D847 HydrophobicContact CD1-CB 3.93Å; L828-D847 HydrophobicContact CD2-CB 4.08Å; L828-V848 HydrophobicContact CD1-CB 4.29Å; L828-V848 HydrophobicContact CD1-CG2 3.66Å; L828-A851 HydrophobicContact CD1-CB 4.12Å
829A94.5Very high87.9Confident15 Ų1555.6 Ų55.612%0.12431%0.31CS..EExtended strand (participates in β ladder)trans-127.4123.2175.400000109.8P808 M831 R832 F844P808-A829 HydrophobicContact CB-CB 3.89Å; P808-A829 HydrophobicContact CG-CB 3.67Å; A829-M831 PolarHBondContact O-N 3.5Å; A829-R832 HydrophobicContact CB-CG 4.28Å; A829-F844 VanDerWaalsContact C-CE2 3.43Å
830A93.6Very high88Confident3 Ų352.7 Ų52.73%0.02529%0.286CS..SBendtrans-69.4-19-174.200000114.1L608 E803 L804 F844L608-A830 HydrophobicContact CD1-CB 4.07Å; L608-A830 HydrophobicContact CD2-CB 4.22Å; E803-A830 PolarHBondContact O-N 2.66Å; L804-A830 HydrophobicContact CD2-CB 3.7Å; A830-F844 HydrophobicContact CB-CD1 4.44Å; A830-F844 HydrophobicContact CB-CD2 4.18Å; A830-F844 HydrophobicContact CB-CE1 4.27Å; A830-F844 HydrophobicContact CB-CE2 4Å; A830-F844 HydrophobicContact CB-CG 4.37Å; A830-F844 HydrophobicContact CB-CZ 4.04Å
831M94.7Very high88.3Confident10 Ų1050.8 Ų50.85%0.04927%0.272CS..  trans-152.4146.7176.6-47.9177.971.800109.2M551 L555 V604 L608 A805 P806 H807 P808 A829 L837M551-M831 WeakPolarHBondContact O-CE 3.32Å; L555-M831 HydrophobicContact CD1-CE 3.49Å; L555-M831 VanDerWaalsContact CD1-CE 3.49Å; L555-M831 HydrophobicContact CD1-CG 4.22Å; L555-M831 HydrophobicContact CD1-SD 3.6Å; L555-M831 VanDerWaalsContact CD1-SD 3.6Å; L555-M831 HydrophobicContact CG-CE 4.02Å; V604-M831 HydrophobicContact CG1-SD 3.82Å; L608-M831 HydrophobicContact CD1-CG 4.36Å; L608-M831 HydrophobicContact CD1-SD 4.11Å; L608-M831 HydrophobicContact CD2-CG 4.13Å; L608-M831 HydrophobicContact CD2-SD 4.02Å; L608-M831 HydrophobicContact CG-SD 4.43Å; A805-M831 WeakPolarHBondContact O-CB 3.47Å; P806-M831 WeakPolarHBondContact O-CB 3.43Å; H807-M831 WeakPolarHBondContact CA-O 3.25Å; P808-M831 WeakPolarHBondContact CD-O 3.5Å; A829-M831 PolarHBondContact O-N 3.5Å; M831-L837 HydrophobicContact CG-CD1 4.3Å
832R93.4Very high88.6Confident99 Ų9952.6 Ų52.637%0.37428%0.279SS..  trans-130.3146.6163.9-49.9-174-174.3-112.1-1.1111P808 A829 G834 E835P808-R832 HydrophobicContact CG-CG 4.24Å; A829-R832 HydrophobicContact CB-CG 4.28Å; R832-G834 PolarHBondContact O-N 2.67Å; R832-G834 VanDerWaalsContact O-N 3.16Å; R832-E835 HydrophobicContact CB-CB 4.07Å; R832-E835 WeakPolarHBondContact CB-OE2 3.34Å; R832-E835 WeakPolarHBondContact CD-OE2 3.37Å; R832-E835 WeakPolarHBondContact CG-OE2 3.47Å; R832-E835 IonicContact NE-OE2 3.02Å; R832-E835 PolarHBondContact O-N 3.36Å; R832-E835 VanDerWaalsContact O-N 3.15Å
833R91Very high89.1Confident127 Ų12751.4 Ų51.448%0.47928%0.28SS..THydrogen-bonded Turntrans-60114.7177.1178.1-173.7-64160.2-3.5111Q547 W548 H807Q547-R833 PolarHBondContact O-NH2 2.58Å; W548-R833 HydrophobicContact CB-CG 4Å; W548-R833 VanDerWaalsContact CB-NE 3.34Å; W548-R833 HydrophobicContact CD2-CB 4.14Å; W548-R833 HydrophobicContact CD2-CG 3.96Å; W548-R833 HydrophobicContact CE3-CG 4.37Å; W548-R833 HydrophobicContact CG-CB 4Å; W548-R833 HydrophobicContact CG-CG 3.8Å; H807-R833 HydrophobicContact CB-CB 4.33Å; H807-R833 PolarHBondContact ND1-N 3.04Å
834G82.3Confident89.5Confident71 Ų7151.2 Ų51.273%0.73228%0.279SS*.THydrogen-bonded Turntrans881.4178.200000114.9R832R832-G834 PolarHBondContact O-N 2.67Å; R832-G834 VanDerWaalsContact O-N 3.16Å
835E87Confident89.9Confident103 Ų10348.7 Ų48.748%0.48126%0.263SS..  trans-89.4136.6167.2-172.1169-167.500108.7R832R832-E835 HydrophobicContact CB-CB 4.07Å; R832-E835 WeakPolarHBondContact CB-OE2 3.34Å; R832-E835 WeakPolarHBondContact CD-OE2 3.37Å; R832-E835 WeakPolarHBondContact CG-OE2 3.47Å; R832-E835 IonicContact NE-OE2 3.02Å; R832-E835 PolarHBondContact O-N 3.36Å; R832-E835 VanDerWaalsContact O-N 3.15Å
836Q81.5Confident89.9Confident147 Ų14747.5 Ų47.569%0.68726%0.258SS*.  trans-93.6144.1179.7-59.6-163.6-75.600110.4P838Q836-P838 WeakPolarHBondContact O-CD 3.4Å
837L84.4Confident89.8Confident34 Ų3450.1 Ų50.118%0.17827%0.27CS..  trans-11467.2179.2-63.4177.1000110.7E554 L555 M831 F839 G840E554-L837 PolarHBondContact OE2-N 3.03Å; L555-L837 HydrophobicContact CD2-CD1 3.9Å; L555-L837 HydrophobicContact CG-CD1 4.4Å; M831-L837 HydrophobicContact CG-CD1 4.3Å; L837-F839 PolarHBondContact O-N 3.23Å; L837-F839 VanDerWaalsContact O-N 3.07Å; L837-G840 PolarHBondContact O-N 2.96Å
838P77.9Confident89.8Confident103 Ų10348.7 Ų48.767%0.66926%0.261SS*.THydrogen-bonded Turntrans-62.8-20.8-171.627.1-36.6000114.1Q836Q836-P838 WeakPolarHBondContact O-CD 3.4Å
839F83.1Confident89.6Confident103 Ų10347.6 Ų47.645%0.45226%0.255SS..THydrogen-bonded Turntrans-110.513.9178.8-52.2-44.9000112.9L448 L837 R842L448-F839 HydrophobicContact CD2-CB 3.68Å; L448-F839 HydrophobicContact CD2-CD1 3.41Å; L448-F839 VanDerWaalsContact CD2-CD1 3.41Å; L448-F839 HydrophobicContact CD2-CD2 4.12Å; L448-F839 HydrophobicContact CD2-CE1 4.02Å; L448-F839 HydrophobicContact CD2-CG 3.46Å; L448-F839 VanDerWaalsContact CD2-CG 3.46Å; L837-F839 PolarHBondContact O-N 3.23Å; L837-F839 VanDerWaalsContact O-N 3.07Å; F839-R842 HydrophobicContact CB-CB 4.26Å; F839-R842 WeakPolarHBondContact O-CD 3.48Å; F839-R842 PolarHBondContact O-NH1 3.01Å
840G88.7Confident89.5Confident2 Ų248.6 Ų48.62%0.02126%0.258CS..THydrogen-bonded Turntrans64.7-140.2-169.300000111.4E559 L837 R842E559-G840 WeakPolarHBondContact OE1-CA 3.29Å; L837-G840 PolarHBondContact O-N 2.96Å; G840-R842 VanDerWaalsContact C-N 3.26Å; G840-R842 PolarHBondContact O-N 3.05Å
841L91.8Very high89.5Confident0 Ų049 Ų490%026%0.262CS..THydrogen-bonded Turntrans-81.91.1-177.2-63.9171.2000113.6L555 E559 L608 A611 L612 G843 F844 V845L555-L841 HydrophobicContact CD1-CD2 4.4Å; L555-L841 HydrophobicContact CD2-CD2 4.13Å; L555-L841 HydrophobicContact CD2-CG 4.08Å; E559-L841 HydrophobicContact CG-CD1 4.31Å; E559-L841 HydrophobicContact CG-CG 4.14Å; E559-L841 PolarHBondContact OE1-N 3.49Å; L608-L841 HydrophobicContact CD2-CD1 3.92Å; L608-L841 HydrophobicContact CD2-CD2 3.74Å; L608-L841 HydrophobicContact CD2-CG 4.45Å; A611-L841 HydrophobicContact CB-CD1 3.66Å; L612-L841 HydrophobicContact CD2-CB 4.09Å; L612-L841 HydrophobicContact CD2-CD1 4.24Å; L612-L841 HydrophobicContact CG-CD1 4.28Å; L841-G843 VanDerWaalsContact C-N 3.26Å; L841-G843 PolarHBondContact O-N 2.94Å; L841-F844 PolarHBondContact O-N 2.81Å; L841-V845 WeakPolarHBondContact O-CG2 3.49Å; L841-V845 PolarHBondContact O-N 2.89Å
842R90.3Very high89.3Confident51 Ų5148.7 Ų48.719%0.19226%0.261CS..Hα-helixtrans-55.7-37.5178.2-76.6168.7-168.661.413.5113.5L450 E559 Y615 F839 G840 V845 A846L450-R842 HydrophobicContact CD2-CB 4.24Å; L450-R842 HydrophobicContact CD2-CG 4.36Å; E559-R842 IonicContact OE1-NH1 3.98Å; E559-R842 PolarHBondContact OE1-NH1 3Å; Y615-R842 HydrophobicContact CE1-CG 4.45Å; Y615-R842 VanDerWaalsContact OH-CZ 3.28Å; Y615-R842 PolarHBondContact OH-NH1 3.49Å; Y615-R842 PolarHBondContact OH-NH2 3.3Å; F839-R842 HydrophobicContact CB-CB 4.26Å; F839-R842 WeakPolarHBondContact O-CD 3.48Å; F839-R842 PolarHBondContact O-NH1 3.01Å; G840-R842 VanDerWaalsContact C-N 3.26Å; G840-R842 PolarHBondContact O-N 3.05Å; R842-V845 PolarHBondContact O-N 3.3Å; R842-A846 PolarHBondContact O-N 2.91Å
843G89Confident89.2Confident35 Ų3544.1 Ų44.136%0.36124%0.244SC..Hα-helixtrans-60.5-4817400000111.7L841 V845 A846 D847L841-G843 VanDerWaalsContact C-N 3.26Å; L841-G843 PolarHBondContact O-N 2.94Å; G843-V845 VanDerWaalsContact C-N 3.33Å; G843-V845 PolarHBondContact O-N 2.89Å; G843-A846 CarbonylContact O-C 3.56Å; G843-A846 WeakPolarHBondContact O-CA 3.49Å; G843-A846 VanDerWaalsContact O-CB 3.29Å; G843-A846 WeakPolarHBondContact O-CB 3.25Å; G843-A846 PolarHBondContact O-N 3.43Å; G843-A846 VanDerWaalsContact O-N 3.09Å; G843-D847 PolarHBondContact O-N 3.33Å
844F93.4Very high89.2Confident10 Ų1042.8 Ų42.84%0.04424%0.242CC..Hα-helixtrans-66.8-30.6176.2-174.4-95.3000113.2W539 L612 L804 L828 A829 A830 L841 D847 V848W539-F844 AromaticContact CH2-CE1 3.72Å; W539-F844 HydrophobicContact CH2-CE1 3.72Å; W539-F844 HydrophobicContact CH2-CZ 4.34Å; W539-F844 AromaticContact CZ3-CE1 3.77Å; W539-F844 HydrophobicContact CZ3-CE1 3.77Å; W539-F844 AromaticContact CZ3-CZ 3.93Å; W539-F844 HydrophobicContact CZ3-CZ 3.93Å; L612-F844 HydrophobicContact CD1-CD1 4.01Å; L612-F844 HydrophobicContact CD1-CE1 3.67Å; L612-F844 HydrophobicContact CD2-CD1 3.65Å; L612-F844 HydrophobicContact CD2-CE1 4.14Å; L612-F844 HydrophobicContact CG-CD1 4.5Å; L804-F844 HydrophobicContact CD2-CE1 4.14Å; L804-F844 HydrophobicContact CD2-CZ 4.12Å; L828-F844 HydrophobicContact CB-CD2 4.22Å; L828-F844 HydrophobicContact CB-CE2 3.48Å; L828-F844 VanDerWaalsContact CB-CE2 3.48Å; L828-F844 HydrophobicContact CB-CZ 4.13Å; A829-F844 VanDerWaalsContact C-CE2 3.43Å; A830-F844 HydrophobicContact CB-CD1 4.44Å; A830-F844 HydrophobicContact CB-CD2 4.18Å; A830-F844 HydrophobicContact CB-CE1 4.27Å; A830-F844 HydrophobicContact CB-CE2 4Å; A830-F844 HydrophobicContact CB-CG 4.37Å; A830-F844 HydrophobicContact CB-CZ 4.04Å; L841-F844 PolarHBondContact O-N 2.81Å; F844-D847 PolarHBondContact O-N 2.78Å; F844-V848 HydrophobicContact CD1-CG2 3.93Å; F844-V848 HydrophobicContact CE1-CG2 3.68Å; F844-V848 HydrophobicContact CZ-CG2 4.09Å; F844-V848 WeakPolarHBondContact O-CB 3.36Å; F844-V848 WeakPolarHBondContact O-CG2 3.35Å; F844-V848 PolarHBondContact O-N 3.16Å
845V94Very high89.6Confident1 Ų140 Ų401%0.00621%0.211CC..Hα-helixtrans-65.6-39.3171175.30000111L450 L612 Y615 V617 L841 R842 G843 H849 V855L450-V845 HydrophobicContact CD1-CG1 4.01Å; L612-V845 HydrophobicContact CD2-CG2 3.94Å; Y615-V845 HydrophobicContact CD2-CG2 4.08Å; Y615-V845 HydrophobicContact CG-CG2 4.05Å; V617-V845 HydrophobicContact CG2-CB 4.43Å; V617-V845 HydrophobicContact CG2-CG1 3.93Å; V617-V845 HydrophobicContact CG2-CG2 4Å; L841-V845 WeakPolarHBondContact O-CG2 3.49Å; L841-V845 PolarHBondContact O-N 2.89Å; R842-V845 PolarHBondContact O-N 3.3Å; G843-V845 VanDerWaalsContact C-N 3.33Å; G843-V845 PolarHBondContact O-N 2.89Å; V845-H849 PolarHBondContact O-N 3.13Å; V845-H849 VanDerWaalsContact O-N 3.07Å; V845-V855 HydrophobicContact CG1-CG1 3.95Å
846A92.1Very high89.8Confident9 Ų937.1 Ų37.17%0.07420%0.199CC..Hα-helixtrans-62.3-51170.100000110.9V503 R842 G843 V848 H849 N850V503-A846 HydrophobicContact CB-CB 3.75Å; V503-A846 HydrophobicContact CG1-CB 4.46Å; V503-A846 HydrophobicContact CG2-CB 4.17Å; R842-A846 PolarHBondContact O-N 2.91Å; G843-A846 CarbonylContact O-C 3.56Å; G843-A846 WeakPolarHBondContact O-CA 3.49Å; G843-A846 VanDerWaalsContact O-CB 3.29Å; G843-A846 WeakPolarHBondContact O-CB 3.25Å; G843-A846 PolarHBondContact O-N 3.43Å; G843-A846 VanDerWaalsContact O-N 3.09Å; A846-V848 VanDerWaalsContact C-N 3.27Å; A846-V848 PolarHBondContact O-N 2.92Å; A846-H849 CarbonylContact O-C 3.59Å; A846-H849 WeakPolarHBondContact O-CA 3.25Å; A846-H849 WeakPolarHBondContact O-CB 3.36Å; A846-H849 PolarHBondContact O-N 3.26Å; A846-N850 WeakPolarHBondContact O-CB 3.35Å; A846-N850 PolarHBondContact O-N 2.77Å; A846-N850 PolarHBondContact O-ND2 2.92Å; A846-N850 PolarHBondContact O-OD1 3.2Å
847D92.3Very high90.2Very high74 Ų7430.6 Ų30.640%0.39617%0.168SC..Hα-helixtrans-55.2-41.7178.3-63.8-34.7000112.6L828 G843 F844 N850 A851L828-D847 HydrophobicContact CD1-CB 3.93Å; L828-D847 HydrophobicContact CD2-CB 4.08Å; G843-D847 PolarHBondContact O-N 3.33Å; F844-D847 PolarHBondContact O-N 2.78Å; D847-N850 PolarHBondContact O-N 2.94Å; D847-A851 WeakPolarHBondContact O-CB 3.2Å; D847-A851 PolarHBondContact O-N 2.81Å
848V94.2Very high90.3Very high0 Ų031.7 Ų31.70%018%0.179CC..Hα-helixtrans-64.9-40.7176.4169.70000111.7P537 W539 V617 L828 F844 A846 A853 V855P537-V848 HydrophobicContact CB-CG1 4.35Å; P537-V848 HydrophobicContact CG-CG1 3.94Å; W539-V848 HydrophobicContact CH2-CG2 4.02Å; W539-V848 HydrophobicContact CZ3-CG2 4.26Å; V617-V848 HydrophobicContact CG1-CG1 3.81Å; L828-V848 HydrophobicContact CD1-CB 4.29Å; L828-V848 HydrophobicContact CD1-CG2 3.66Å; F844-V848 HydrophobicContact CD1-CG2 3.93Å; F844-V848 HydrophobicContact CE1-CG2 3.68Å; F844-V848 HydrophobicContact CZ-CG2 4.09Å; F844-V848 WeakPolarHBondContact O-CB 3.36Å; F844-V848 WeakPolarHBondContact O-CG2 3.35Å; F844-V848 PolarHBondContact O-N 3.16Å; A846-V848 VanDerWaalsContact C-N 3.27Å; A846-V848 PolarHBondContact O-N 2.92Å; V848-A853 HydrophobicContact CG1-CB 3.87Å; V848-A853 PolarHBondContact O-N 3.43Å; V848-A853 VanDerWaalsContact O-N 3.16Å; V848-V855 HydrophobicContact CG1-CG2 4.19Å
849H92.4Very high90.7Very high2 Ų230.3 Ų30.31%0.00917%0.168CC..Hα-helixtrans-63.1-52172.6177.876000111H497 R501 V503 V845 A846 A851 G852 V855 F857H497-H849 AromaticContact CD2-CE1 3.64Å; H497-H849 AromaticContact CD2-NE2 3.96Å; H497-H849 AromaticContact CG-CE1 3.66Å; R501-H849 WeakPolarHBondContact CD-NE2 3.48Å; R501-H849 VanDerWaalsContact CZ-O 3.29Å; R501-H849 PolarHBondContact NE-O 3.01Å; R501-H849 PolarHBondContact NH2-O 2.79Å; V503-H849 HydrophobicContact CG2-CB 3.99Å; V503-H849 VanDerWaalsContact CG2-CD2 3.47Å; V503-H849 WeakPolarHBondContact CG2-CD2 3.22Å; V845-H849 PolarHBondContact O-N 3.13Å; V845-H849 VanDerWaalsContact O-N 3.07Å; A846-H849 CarbonylContact O-C 3.59Å; A846-H849 WeakPolarHBondContact O-CA 3.25Å; A846-H849 WeakPolarHBondContact O-CB 3.36Å; A846-H849 PolarHBondContact O-N 3.26Å; H849-A851 VanDerWaalsContact C-N 3.3Å; H849-A851 PolarHBondContact O-N 3.25Å; H849-G852 PolarHBondContact O-N 2.83Å; H849-V855 HydrophobicContact CB-CG2 3.93Å; H849-F857 HydrophobicContact CB-CZ 4.35Å; H849-F857 AromaticContact CE1-CE2 3.77Å; H849-F857 AromaticContact CG-CZ 4Å; H849-F857 AromaticContact ND1-CE2 3.5Å; H849-F857 WeakPolarHBondContact ND1-CE2 3.48Å; H849-F857 AromaticContact ND1-CZ 3.81Å
850N92.9Very high90.7Very high36 Ų3628.5 Ų28.519%0.19316%0.161CC..Hα-helixtrans-58.6-41.7-176.8-59.4-4.2000111.2R501 T502 V503 A846 D847 G852R501-N850 PolarHBondContact O-OD1 3.14Å; T502-N850 VanDerWaalsContact CA-OD1 3.22Å; T502-N850 WeakPolarHBondContact CA-OD1 3.27Å; V503-N850 PolarHBondContact N-OD1 2.86Å; A846-N850 WeakPolarHBondContact O-CB 3.35Å; A846-N850 PolarHBondContact O-N 2.77Å; A846-N850 PolarHBondContact O-ND2 2.92Å; A846-N850 PolarHBondContact O-OD1 3.2Å; D847-N850 PolarHBondContact O-N 2.94Å; N850-G852 PolarHBondContact O-N 2.9Å; N850-G852 VanDerWaalsContact O-N 3.16Å
851A92.7Very high90.6Very high12 Ų1228.9 Ų28.910%0.09916%0.162CC..THydrogen-bonded Turntrans-64.9-14.1176.200000114.4V530 G531 V800 A826 L828 D847 H849V530-A851 WeakPolarHBondContact CG2-O 3.38Å; V530-A851 PolarHBondContact N-O 2.79Å; G531-A851 PolarHBondContact N-O 2.8Å; V800-A851 HydrophobicContact CB-CB 4.44Å; V800-A851 HydrophobicContact CG1-CB 3.73Å; V800-A851 HydrophobicContact CG2-CB 3.83Å; V800-A851 VanDerWaalsContact CG2-O 3.27Å; V800-A851 WeakPolarHBondContact CG2-O 3.26Å; A826-A851 HydrophobicContact CB-CB 3.65Å; L828-A851 HydrophobicContact CD1-CB 4.12Å; D847-A851 WeakPolarHBondContact O-CB 3.2Å; D847-A851 PolarHBondContact O-N 2.81Å; H849-A851 VanDerWaalsContact C-N 3.3Å; H849-A851 PolarHBondContact O-N 3.25Å
852G91.4Very high90.1Very high3 Ų332.9 Ų32.93%0.03119%0.188CC..THydrogen-bonded Turntrans112.2-9.1174.900000115.9R501 A529 G531 H849 N850R501-G852 VanDerWaalsContact NH2-CA 3.28Å; R501-G852 PolarHBondContact NH2-O 2.9Å; A529-G852 VanDerWaalsContact CB-CA 3.49Å; G531-G852 WeakPolarHBondContact O-CA 3.12Å; H849-G852 PolarHBondContact O-N 2.83Å; N850-G852 PolarHBondContact O-N 2.9Å; N850-G852 VanDerWaalsContact O-N 3.16Å
853A91.8Very high89.5Confident3 Ų333.6 Ų33.63%0.02520%0.196CC..  trans-75.7156-178.300000112.5R501 R535 P537 V800 V848R501-A853 PolarHBondContact NH2-O 2.75Å; R535-A853 WeakPolarHBondContact O-CA 3.36Å; P537-A853 HydrophobicContact CB-CB 4.01Å; P537-A853 HydrophobicContact CG-CB 4.37Å; V800-A853 HydrophobicContact CB-CB 4.07Å; V800-A853 HydrophobicContact CG1-CB 4.15Å; V800-A853 HydrophobicContact CG2-CB 4.07Å; V848-A853 HydrophobicContact CG1-CB 3.87Å; V848-A853 PolarHBondContact O-N 3.43Å; V848-A853 VanDerWaalsContact O-N 3.16Å
854K89.4Confident89.1Confident99 Ų9933.2 Ų33.243%0.4319%0.191SC..  trans-73.2128.5-177.8-175.2163.5-170.51510112.3D534 R535D534-K854 HydrophobicContact CB-CD 4.21Å; D534-K854 VanDerWaalsContact O-CB 3.27Å; D534-K854 WeakPolarHBondContact O-CB 3.31Å; D534-K854 WeakPolarHBondContact O-CD 3.47Å; D534-K854 WeakPolarHBondContact OD2-CD 3.38Å; D534-K854 WeakPolarHBondContact OD2-CE 3.48Å; D534-K854 IonicContact OD2-NZ 3.55Å; D534-K854 PolarHBondContact OD2-NZ 2.81Å; R535-K854 PolarHBondContact O-N 2.94Å
855V91.8Very high88.6Confident14 Ų1438.6 Ų38.69%0.08521%0.211CC..  trans-121.8121.9172.9179.90000108V617 V845 V848 H849 F857V617-V855 HydrophobicContact CG2-CG1 4.17Å; V617-V855 HydrophobicContact CG2-CG2 4.15Å; V845-V855 HydrophobicContact CG1-CG1 3.95Å; V848-V855 HydrophobicContact CG1-CG2 4.19Å; H849-V855 HydrophobicContact CB-CG2 3.93Å; V855-F857 VanDerWaalsContact C-N 3.33Å; V855-F857 HydrophobicContact CB-CD2 4.48Å; V855-F857 HydrophobicContact CB-CE2 4.13Å; V855-F857 HydrophobicContact CB-CZ 4.17Å; V855-F857 HydrophobicContact CG1-CD1 4.08Å; V855-F857 HydrophobicContact CG1-CD2 4.43Å; V855-F857 HydrophobicContact CG1-CE1 3.87Å; V855-F857 HydrophobicContact CG1-CE2 4.26Å; V855-F857 HydrophobicContact CG1-CG 4.35Å; V855-F857 HydrophobicContact CG1-CZ 3.97Å; V855-F857 PolarHBondContact O-N 3.27Å
856D90.4Very high88.3Confident42 Ų4239.9 Ų39.923%0.22522%0.218CC..  trans-8176.3-179.4-175.13000110.8G616 R618 S858 V859G616-D856 VanDerWaalsContact O-CB 3.3Å; G616-D856 WeakPolarHBondContact O-CB 3.19Å; G616-D856 PolarHBondContact O-N 3.5Å; G616-D856 VanDerWaalsContact O-N 3.12Å; R618-D856 IonicContact CZ-OD2 2.68Å; R618-D856 IonicContact NH2-OD2 2.68Å; R618-D856 PolarHBondContact NH2-OD2 3.14Å; D856-S858 PolarHBondContact O-N 3.31Å; D856-S858 VanDerWaalsContact O-N 3.08Å; D856-S858 WeakPolarHBondContact OD1-CB 3.23Å; D856-S858 PolarHBondContact OD1-N 3.17Å; D856-S858 PolarHBondContact OD1-OG 3.22Å; D856-V859 HydrophobicContact CB-CG2 4.32Å; D856-V859 WeakPolarHBondContact O-CB 3.16Å; D856-V859 WeakPolarHBondContact O-CG2 3.42Å; D856-V859 PolarHBondContact O-N 3.22Å; D856-V859 VanDerWaalsContact O-N 3.1Å
857F89.5Confident88.1Confident9 Ų940.4 Ų40.44%0.03922%0.22CC..G310 helixtrans-62.3-12179.4-67.7-69.3000114L450 P452 H497 V503 H849 V855 V859 Q860 Y861L450-F857 HydrophobicContact CB-CE1 4.4Å; L450-F857 HydrophobicContact CD1-CE1 4.25Å; P452-F857 HydrophobicContact CB-CE2 4.22Å; P452-F857 HydrophobicContact CB-CZ 4.25Å; P452-F857 HydrophobicContact CG-CD2 4.5Å; P452-F857 HydrophobicContact CG-CE2 4.16Å; P452-F857 HydrophobicContact CG-CZ 4.33Å; H497-F857 AromaticContact CE1-CD2 3.99Å; V503-F857 HydrophobicContact CG2-CZ 4.31Å; H849-F857 HydrophobicContact CB-CZ 4.35Å; H849-F857 AromaticContact CE1-CE2 3.77Å; H849-F857 AromaticContact CG-CZ 4Å; H849-F857 AromaticContact ND1-CE2 3.5Å; H849-F857 WeakPolarHBondContact ND1-CE2 3.48Å; H849-F857 AromaticContact ND1-CZ 3.81Å; V855-F857 VanDerWaalsContact C-N 3.33Å; V855-F857 HydrophobicContact CB-CD2 4.48Å; V855-F857 HydrophobicContact CB-CE2 4.13Å; V855-F857 HydrophobicContact CB-CZ 4.17Å; V855-F857 HydrophobicContact CG1-CD1 4.08Å; V855-F857 HydrophobicContact CG1-CD2 4.43Å; V855-F857 HydrophobicContact CG1-CE1 3.87Å; V855-F857 HydrophobicContact CG1-CE2 4.26Å; V855-F857 HydrophobicContact CG1-CG 4.35Å; V855-F857 HydrophobicContact CG1-CZ 3.97Å; V855-F857 PolarHBondContact O-N 3.27Å; F857-V859 PolarHBondContact O-N 2.71Å; F857-Q860 PolarHBondContact O-N 2.86Å; F857-Y861 PolarHBondContact O-N 3.3Å
858S86.8Confident87.7Confident57 Ų5739.6 Ų39.640%0.39922%0.216SC..G310 helixtrans-63.4-20.9172.181.30000112.6D856 Q860 Y861 P862D856-S858 PolarHBondContact O-N 3.31Å; D856-S858 VanDerWaalsContact O-N 3.08Å; D856-S858 WeakPolarHBondContact OD1-CB 3.23Å; D856-S858 PolarHBondContact OD1-N 3.17Å; D856-S858 PolarHBondContact OD1-OG 3.22Å; S858-Q860 VanDerWaalsContact C-N 3.25Å; S858-Q860 PolarHBondContact O-N 2.65Å; S858-Y861 CarbonylContact O-C 3.58Å; S858-P862 WeakPolarHBondContact O-CA 3.4Å; S858-P862 WeakPolarHBondContact O-CB 3.29Å; S858-P862 WeakPolarHBondContact O-CD 3.48Å
859V86.8Confident87.4Confident75 Ų7540 Ų4046%0.45522%0.22SC..G310 helixtrans-66.7-27.8171.1-178.90000111.9S614 D856 F857S614-V859 WeakPolarHBondContact O-CG1 3.46Å; D856-V859 HydrophobicContact CB-CG2 4.32Å; D856-V859 WeakPolarHBondContact O-CB 3.16Å; D856-V859 WeakPolarHBondContact O-CG2 3.42Å; D856-V859 PolarHBondContact O-N 3.22Å; D856-V859 VanDerWaalsContact O-N 3.1Å; F857-V859 PolarHBondContact O-N 2.71Å
860Q82.7Confident87.3Confident64 Ų6441.6 Ų41.630%0.29923%0.23SC..THydrogen-bonded Turntrans-97.1-34.7177.4-173.6166.613.700112.7L450 F857 S858 P862L450-Q860 VanDerWaalsContact N-NE2 3.17Å; F857-Q860 PolarHBondContact O-N 2.86Å; S858-Q860 VanDerWaalsContact C-N 3.25Å; S858-Q860 PolarHBondContact O-N 2.65Å; Q860-P862 VanDerWaalsContact C-CD 3.47Å; Q860-P862 WeakPolarHBondContact O-CD 3.27Å
861Y87Confident87.2Confident11 Ų1141.7 Ų41.74%0.04323%0.23CC..  trans-12671178.8-56.6-75.6000111.1L450 R485 S492 F857 S858 D863L450-Y861 VanDerWaalsContact O-CE2 3.32Å; L450-Y861 WeakPolarHBondContact O-CE2 3.29Å; L450-Y861 PolarHBondContact O-OH 2.93Å; R485-Y861 HydrophobicContact CG-CD1 4.46Å; S492-Y861 WeakPolarHBondContact OG-CE2 3.47Å; F857-Y861 PolarHBondContact O-N 3.3Å; S858-Y861 CarbonylContact O-C 3.58Å; Y861-D863 VanDerWaalsContact C-N 3.28Å; Y861-D863 PolarHBondContact O-N 2.6Å
862P80.8Confident87.1Confident83 Ų8341.6 Ų41.654%0.53923%0.228SC..SBendtrans-69.1-27-179.625.8-33.2000112.8S858 Q860S858-P862 WeakPolarHBondContact O-CA 3.4Å; S858-P862 WeakPolarHBondContact O-CB 3.29Å; S858-P862 WeakPolarHBondContact O-CD 3.48Å; Q860-P862 VanDerWaalsContact C-CD 3.47Å; Q860-P862 WeakPolarHBondContact O-CD 3.27Å
863D77Confident86.9Confident67 Ų6742.2 Ų42.236%0.35823%0.233SC..SBendtrans-151.1146.7179.765.8-51.8000112.1R485 Y861R485-D863 IonicContact CZ-OD1 2.64Å; R485-D863 PolarHBondContact NE-O 2.82Å; R485-D863 IonicContact NH2-OD1 3.86Å; R485-D863 PolarHBondContact NH2-OD1 2.93Å; R485-D863 IonicContact NH2-OD2 3.58Å; Y861-D863 VanDerWaalsContact C-N 3.28Å; Y861-D863 PolarHBondContact O-N 2.6Å
864G81.5Confident86.9Confident26 Ų2642.6 Ų42.627%0.26823%0.233SC..  trans-179.7179.2179.600000110.8Y489Y489-G864 VanDerWaalsContact CD1-C 3.43Å; Y489-G864 WeakPolarHBondContact CE1-O 3.25Å
865R82.9Confident86.9Confident123 Ų12339 Ų3946%0.46422%0.219SC..  trans-108.5147.9177.6-60.8177.2-178.9153.63.3111A435 D486 T490A435-R865 PolarHBondContact O-NH2 3.31Å; D486-R865 HydrophobicContact CB-CB 4.46Å; D486-R865 WeakPolarHBondContact CB-O 3.5Å; D486-R865 WeakPolarHBondContact OD1-CB 3.18Å; D486-R865 PolarHBondContact OD1-N 2.79Å; T490-R865 PolarHBondContact OG1-O 3.3Å
866L87.7Confident86.8Confident28 Ų2841.6 Ų41.615%0.14723%0.231CC..  trans-77.5119.9178.1-178.964.7000111.4A110 R262 T490 R494A110-L866 VanDerWaalsContact C-CD2 3.44Å; A110-L866 VanDerWaalsContact O-CD2 3.29Å; A110-L866 WeakPolarHBondContact O-CD2 3.33Å; R262-L866 HydrophobicContact CB-CD2 4.16Å; T490-L866 HydrophobicContact CG2-CD1 3.84Å; R494-L866 HydrophobicContact CB-CD1 4.01Å; R494-L866 HydrophobicContact CG-CD1 4.36Å
867V87.8Confident86.7Confident20 Ų2044 Ų4412%0.12124%0.237CC..  trans-105.8147.9179.3-62.70000112.7W471 V482 D486 L487 T490 A869W471-V867 HydrophobicContact CH2-CB 4.19Å; W471-V867 HydrophobicContact CH2-CG2 3.89Å; W471-V867 HydrophobicContact CZ2-CB 4.36Å; W471-V867 HydrophobicContact CZ2-CG2 4.37Å; V482-V867 HydrophobicContact CG1-CG1 4.38Å; V482-V867 HydrophobicContact CG2-CG1 4.35Å; D486-V867 HydrophobicContact CB-CG1 3.89Å; L487-V867 HydrophobicContact CD1-CG2 4.16Å; T490-V867 HydrophobicContact CG2-CG2 4.05Å; T490-V867 PolarHBondContact OG1-N 2.88Å; T490-V867 VanDerWaalsContact OG1-N 3.15Å; V867-A869 HydrophobicContact CG2-CB 4.19Å; V867-A869 PolarHBondContact O-N 3.3Å
868D84Confident86.6Confident58 Ų5848.9 Ų48.931%0.3127%0.267SS..  trans-76.657.2175.5-76-28000111.5H109 R262 R367 W471H109-D868 IonicContact NE2-OD1 3.97Å; R262-D868 IonicContact CZ-OD1 3.77Å; R262-D868 IonicContact NH1-OD1 3.83Å; R262-D868 PolarHBondContact NH1-OD1 3.26Å; R262-D868 IonicContact NH1-OD2 2.69Å; R262-D868 PolarHBondContact NH1-OD2 3.09Å; R262-D868 IonicContact NH2-OD1 2.7Å; R262-D868 PolarHBondContact NH2-OD1 3.07Å; R367-D868 IonicContact CZ-OD2 3.95Å; R367-D868 IonicContact NH1-OD2 2.79Å; R367-D868 PolarHBondContact NH1-OD2 2.8Å; R367-D868 VanDerWaalsContact NH1-OD2 3.1Å; R367-D868 IonicContact NH2-OD2 3.69Å; W471-D868 PolarHBondContact NE1-O 2.92Å
869A88.8Confident86.8Confident9 Ų946.6 Ų46.67%0.07425%0.25CS..PPolyproline II helixtrans-77.7153170.300000111L468 W471 L487 R495 V867L468-A869 HydrophobicContact CD1-CB 4.25Å; W471-A869 HydrophobicContact CD2-CB 4.26Å; W471-A869 HydrophobicContact CE3-CB 4.35Å; W471-A869 HydrophobicContact CH2-CB 4.11Å; W471-A869 HydrophobicContact CZ2-CB 4Å; W471-A869 HydrophobicContact CZ3-CB 4.29Å; L487-A869 HydrophobicContact CD1-CB 3.91Å; R495-A869 PolarHBondContact NH2-O 2.81Å; V867-A869 HydrophobicContact CG2-CB 4.19Å; V867-A869 PolarHBondContact O-N 3.3Å
870P90.2Very high86.8Confident35 Ų3545.4 Ų45.423%0.22724%0.24CC..PPolyproline II helixtrans-58.7141.5-177.9-22.634.6000111.7R467 W471 R495R467-P870 HydrophobicContact CB-CB 4.16Å; R467-P870 HydrophobicContact CB-CG 4.43Å; W471-P870 HydrophobicContact CB-CG 3.74Å; W471-P870 HydrophobicContact CG-CG 4.02Å; R495-P870 VanDerWaalsContact CZ-O 3.27Å; R495-P870 PolarHBondContact NH1-O 3.1Å; R495-P870 PolarHBondContact NH2-O 2.81Å
871L90.6Very high86.8Confident38 Ų3843.6 Ų43.620%0.19923%0.233CC..PPolyproline II helixtrans-76160.7175-66.1-178.9000111.3E105 E108E105-L871 HydrophobicContact CB-CD1 3.69Å; E105-L871 HydrophobicContact CG-CD1 3.84Å; E108-L871 HydrophobicContact CB-CD1 4.48Å; E108-L871 HydrophobicContact CB-CD2 3.72Å
872P89.3Confident86.1Confident9 Ų945.1 Ų45.16%0.05825%0.245CC..PPolyproline II helixtrans-53.5142.3169.5-25.836.7000112.4S454 R498S454-P872 WeakPolarHBondContact O-CB 3.19Å; R498-P872 HydrophobicContact CG-CB 4.37Å; R498-P872 HydrophobicContact CG-CG 4.49Å
873S88.7Confident85.4Confident17 Ų1745.2 Ų45.212%0.11924%0.235CC..PPolyproline II helixtrans-84.2147.6175.7-163.10000111.6Q460 T464Q460-S873 PolarHBondContact OE1-OG 3.31Å; T464-S873 PolarHBondContact OG1-N 2.95Å
874W90.3Very high84.2Confident11 Ų1146.6 Ų46.64%0.04224%0.239CC..PPolyproline II helixtrans-92.1146.9-175.7-61.7102.9000112.5D78 F81 F82 E101 W104 E105 Q460 R498 H876D78-W874 HydrophobicContact CB-CB 4.49Å; D78-W874 HydrophobicContact CB-CE3 4.07Å; F81-W874 HydrophobicContact CD1-CH2 4.38Å; F81-W874 AromaticContact CD1-CZ3 3.61Å; F81-W874 HydrophobicContact CD1-CZ3 3.61Å; F81-W874 HydrophobicContact CE1-CH2 4.2Å; F81-W874 AromaticContact CE1-CZ3 3.83Å; F81-W874 HydrophobicContact CE1-CZ3 3.83Å; F81-W874 HydrophobicContact CG-CZ3 4.28Å; F82-W874 HydrophobicContact CE1-CH2 4.44Å; F82-W874 HydrophobicContact CE2-CE3 4.22Å; F82-W874 HydrophobicContact CE2-CH2 4.08Å; F82-W874 AromaticContact CE2-CZ3 3.67Å; F82-W874 HydrophobicContact CE2-CZ3 3.67Å; F82-W874 HydrophobicContact CZ-CE3 4.5Å; F82-W874 AromaticContact CZ-CH2 3.55Å; F82-W874 HydrophobicContact CZ-CH2 3.55Å; F82-W874 HydrophobicContact CZ-CZ2 4.42Å; F82-W874 AromaticContact CZ-CZ3 3.59Å; F82-W874 HydrophobicContact CZ-CZ3 3.59Å; E101-W874 HydrophobicContact CB-CZ2 4.08Å; E101-W874 HydrophobicContact CG-CD2 3.9Å; E101-W874 HydrophobicContact CG-CE3 4.29Å; E101-W874 HydrophobicContact CG-CG 4.27Å; E101-W874 HydrophobicContact CG-CH2 4.47Å; E101-W874 HydrophobicContact CG-CZ2 4.11Å; W104-W874 HydrophobicContact CB-CH2 3.95Å; W104-W874 HydrophobicContact CB-CZ2 4.1Å; W104-W874 AromaticContact CD1-CH2 3.85Å; W104-W874 HydrophobicContact CD2-CH2 4.29Å; W104-W874 AromaticContact CG-CH2 3.74Å; W104-W874 HydrophobicContact CG-CH2 3.74Å; W104-W874 HydrophobicContact CG-CZ2 4.16Å; E105-W874 HydrophobicContact CG-CZ2 4.27Å; E105-W874 PolarHBondContact OE1-NE1 2.88Å; Q460-W874 WeakPolarHBondContact CG-O 3.26Å; Q460-W874 PolarHBondContact NE2-O 2.89Å; Q460-W874 PolarHBondContact OE1-O 2.61Å; R498-W874 VanDerWaalsContact NH1-CH2 3.26Å; W874-H876 VanDerWaalsContact C-N 3.29Å; W874-H876 PolarHBondContact O-N 3.32Å
875T89.9Confident82.5Confident22 Ų2248.7 Ų48.714%0.13524%0.244CC..  trans-86.574177.6-56.30000109.8D78 T456 S457 Q460 R877D78-T875 WeakPolarHBondContact OD2-CB 3.39Å; D78-T875 PolarHBondContact OD2-N 3.24Å; T456-T875 WeakPolarHBondContact OG1-CB 3.25Å; T456-T875 PolarHBondContact OG1-N 2.79Å; T456-T875 PolarHBondContact OG1-OG1 2.69Å; S457-T875 VanDerWaalsContact CB-OG1 3.26Å; S457-T875 WeakPolarHBondContact CB-OG1 3.39Å; S457-T875 PolarHBondContact N-OG1 2.73Å; S457-T875 PolarHBondContact OG-OG1 2.75Å; Q460-T875 WeakPolarHBondContact CG-OG1 3.47Å; T875-R877 PolarHBondContact O-N 2.69Å
876H90.4Very high80.6Confident69 Ų6944.7 Ų44.732%0.31924%0.235SC..  trans-65.1117.8179.2-75.1-178.4000112.3R17 E101 W874R17-H876 PolarHBondContact NH1-CE1 3.12Å; E101-H876 IonicContact OE1-CD2 3.65Å; E101-H876 PolarHBondContact OE1-CD2 3.14Å; E101-H876 VanDerWaalsContact OE1-CD2 3.32Å; E101-H876 IonicContact OE1-NE2 3.9Å; E101-H876 PolarHBondContact OE1-NE2 3.14Å; E101-H876 IonicContact OE2-CE1 3.78Å; E101-H876 IonicContact OE2-NE2 3.1Å; E101-H876 PolarHBondContact OE2-NE2 2.93Å; W874-H876 VanDerWaalsContact C-N 3.29Å; W874-H876 PolarHBondContact O-N 3.32Å
877R87.2Confident78.2Confident93 Ų9345.2 Ų45.235%0.35124%0.237SC..EExtended strand (participates in β ladder)trans-102.9141.2160.6-59.6-178.1-172.2143.511.5108.3G75 G76 F77 D80 T875 L879G75-R877 VanDerWaalsContact O-O 3.11Å; G76-R877 VanDerWaalsContact CA-O 3.31Å; G76-R877 WeakPolarHBondContact CA-O 3.37Å; F77-R877 PolarHBondContact N-O 3.18Å; F77-R877 VanDerWaalsContact N-O 3.09Å; F77-R877 PolarHBondContact O-N 3Å; F77-R877 VanDerWaalsContact O-N 3.16Å; D80-R877 IonicContact OD1-NH1 2.7Å; D80-R877 IonicContact OD2-CZ 2.67Å; D80-R877 IonicContact OD2-NH1 3.06Å; D80-R877 PolarHBondContact OD2-NH1 2.67Å; D80-R877 IonicContact OD2-NH2 3.98Å; D80-R877 PolarHBondContact OD2-NH2 2.68Å; T875-R877 PolarHBondContact O-N 2.69Å; R877-L879 HydrophobicContact CB-CD2 4.33Å; R877-L879 HydrophobicContact CB-CG 4.21Å; R877-L879 PolarHBondContact O-N 3.03Å
878T88.2Confident75.7Confident111 Ų11150 Ų5068%0.68125%0.253SS*.EExtended strand (participates in β ladder)trans-74.9106.1176.8-47.50000109.9
879L90.1Very high73.1Confident9 Ų951.1 Ų51.15%0.04727%0.265CS..  trans-120.286.4-174.5-61.1175.6000109.9G75 C79 E86 A89 R97 R877G75-L879 PolarHBondContact O-N 3.14Å; C79-L879 HydrophobicContact CB-CD1 3.96Å; E86-L879 HydrophobicContact CG-CD2 3.61Å; A89-L879 HydrophobicContact CB-CD1 3.75Å; R97-L879 PolarHBondContact NH1-O 3.17Å; R97-L879 PolarHBondContact NH2-O 3.45Å; R877-L879 HydrophobicContact CB-CD2 4.33Å; R877-L879 HydrophobicContact CB-CG 4.21Å; R877-L879 PolarHBondContact O-N 3.03Å
880M87.6Confident70.4Confident50 Ų5054.2 Ų54.225%0.24628%0.277CS..  trans-129.9143.1-177.9-72.1-66.5-79.200111.8V74 G75 P94 Y133 L209 S882V74-M880 HydrophobicContact CG2-CE 4.22Å; G75-M880 VanDerWaalsContact CA-CG 3.46Å; P94-M880 HydrophobicContact CG-CE 4.25Å; P94-M880 HydrophobicContact CG-SD 3.67Å; Y133-M880 HydrophobicContact CE2-CE 3.89Å; Y133-M880 HydrophobicContact CE2-SD 3.91Å; L209-M880 HydrophobicContact CD1-CE 4.07Å; L209-M880 HydrophobicContact CD2-CE 4.27Å; M880-S882 PolarHBondContact O-N 2.81Å
881L83.8Confident67.6Low26 Ų2657.1 Ų57.114%0.13630%0.295CS..  trans-73.297.9163.2-68173.2000108.5T90 Y133 L136 A142T90-L881 HydrophobicContact CG2-CD2 4.1Å; T90-L881 HydrophobicContact CG2-CG 4.32Å; Y133-L881 HydrophobicContact CD1-CD1 4.29Å; Y133-L881 HydrophobicContact CE1-CD1 3.66Å; Y133-L881 HydrophobicContact CE1-CG 4.08Å; Y133-L881 HydrophobicContact CE2-CB 4.49Å; Y133-L881 PolarHBondContact OH-N 3.3Å; L136-L881 WeakPolarHBondContact CD2-O 3.42Å; L136-L881 HydrophobicContact CG-CB 4.37Å; A142-L881 HydrophobicContact CB-CD1 3.81Å; A142-L881 HydrophobicContact CB-CD2 3.84Å
882S72.2Confident64.8Low44 Ų4459.4 Ų59.431%0.30833%0.328SS..  trans-73.9141.5168.2-174.20000110.3C140 M880 E884 D885C140-S882 PolarHBondContact SG-O 3.04Å; C140-S882 VanDerWaalsContact SG-O 3.35Å; M880-S882 PolarHBondContact O-N 2.81Å; S882-E884 PolarHBondContact O-N 2.59Å; S882-E884 VanDerWaalsContact O-N 3.08Å; S882-E884 WeakPolarHBondContact OG-CB 3.21Å; S882-E884 PolarHBondContact OG-N 2.88Å; S882-E884 VanDerWaalsContact OG-N 3.09Å; S882-D885 WeakPolarHBondContact CB-OD2 3.16Å; S882-D885 PolarHBondContact O-N 3.15Å
883R65.4Low62.3Low85 Ų8562.2 Ų62.232%0.32135%0.351SS..THydrogen-bonded Turntrans-57.7-20.7165.8-67.6179.8163.8115.8-9.1111.8L136 D139 E210 S886L136-R883 HydrophobicContact CD1-CG 3.44Å; L136-R883 VanDerWaalsContact CD1-CG 3.44Å; D139-R883 IonicContact OD2-CZ 2.68Å; D139-R883 VanDerWaalsContact OD2-CZ 3.25Å; D139-R883 IonicContact OD2-NE 3.78Å; D139-R883 PolarHBondContact OD2-NE 3.23Å; D139-R883 IonicContact OD2-NH2 3.05Å; D139-R883 PolarHBondContact OD2-NH2 3.33Å; E210-R883 IonicContact OE2-CZ 3.32Å; E210-R883 IonicContact OE2-NH1 3.62Å; E210-R883 IonicContact OE2-NH2 3.13Å; E210-R883 PolarHBondContact OE2-NH2 2.85Å; R883-S886 PolarHBondContact O-OG 3.06Å
884E51.8Low59.6Low96 Ų9665.7 Ų65.745%0.44937%0.372SS..THydrogen-bonded Turntrans-86.9-18174.8-46.7-166.1160.400113.4S882 S886 H887 R1133S882-E884 PolarHBondContact O-N 2.59Å; S882-E884 VanDerWaalsContact O-N 3.08Å; S882-E884 WeakPolarHBondContact OG-CB 3.21Å; S882-E884 PolarHBondContact OG-N 2.88Å; S882-E884 VanDerWaalsContact OG-N 3.09Å; E884-S886 VanDerWaalsContact C-N 3.28Å; E884-S886 PolarHBondContact O-N 2.83Å; E884-H887 PolarHBondContact O-CD2 3.44Å; E884-H887 PolarHBondContact O-N 3.26Å; E884-R1133 IonicContact OE1-CZ 2.77Å; E884-R1133 IonicContact OE1-NH1 2.88Å; E884-R1133 PolarHBondContact OE1-NH1 3.24Å; E884-R1133 IonicContact OE1-NH2 3.32Å; E884-R1133 PolarHBondContact OE1-NH2 2.87Å
885D45.3Very low57.2Low69 Ų6968 Ų6837%0.36938%0.383SS..G310 helixtrans-82.6-4.8175.2-74.2-48000113.3S882 H887 R888 S889S882-D885 WeakPolarHBondContact CB-OD2 3.16Å; S882-D885 PolarHBondContact O-N 3.15Å; D885-H887 PolarHBondContact O-N 3.35Å; D885-R888 PolarHBondContact O-N 2.91Å; D885-S889 PolarHBondContact O-N 2.93Å
886S43.1Very low55.2Low40 Ų4070 Ų7028%0.2840%0.402SS..G310 helixtrans-53.6-18.2162.163.50000112.6R883 E884R883-S886 PolarHBondContact O-OG 3.06Å; E884-S886 VanDerWaalsContact C-N 3.28Å; E884-S886 PolarHBondContact O-N 2.83Å
887H37.6Very low53.8Low39 Ų3967.3 Ų67.318%0.18139%0.391CS..G310 helixtrans-90.95.7174.1-55.4-43.4000114.4E884 D885 V897 A1088E884-H887 PolarHBondContact O-CD2 3.44Å; E884-H887 PolarHBondContact O-N 3.26Å; D885-H887 PolarHBondContact O-N 3.35Å; H887-V897 WeakPolarHBondContact CB-O 3.35Å; H887-V897 CarbonylContact O-C 3.59Å; H887-V897 VanDerWaalsContact O-CA 3.3Å; H887-V897 WeakPolarHBondContact O-CA 3.41Å; H887-A1088 VanDerWaalsContact CE1-CB 3.46Å; H887-A1088 WeakPolarHBondContact CE1-CB 3.23Å; H887-A1088 WeakPolarHBondContact NE2-CA 3.38Å
888R35.1Very low53.6Low121 Ų12163.3 Ų63.346%0.45738%0.376SS..THydrogen-bonded Turntrans-142.6-2.5-169.9-72.4-172168.2172-3.7117.8D885 Q895D885-R888 PolarHBondContact O-N 2.91Å; R888-Q895 PolarHBondContact O-NE2 3.37Å
889S29.5Very low53.4Low80 Ų8059.2 Ų59.256%0.55935%0.351SS*.  trans-145.691.5-174.5179.10000117.5D885D885-S889 PolarHBondContact O-N 2.93Å
890H31.9Very low53.3Low74 Ų7458.8 Ų58.834%0.34335%0.349SS..SBendtrans-147.9121.6150.5-90.2-87.1000110.9Q895H890-Q895 WeakPolarHBondContact O-CA 3.47Å; H890-Q895 WeakPolarHBondContact O-CG 3.38Å
891T32Very low53.2Low96 Ų9656.4 Ų56.459%0.58934%0.337SS*.  trans26.7137.9161.751.60000121.1A893 V894T891-A893 PolarHBondContact O-N 3.49Å; T891-V894 PolarHBondContact O-N 2.79Å
892G31Very low53.1Low87 Ų8755.7 Ų55.790%0.89734%0.336SS*.THydrogen-bonded Turntrans-66.952.2-178.900000117.1
893A38.1Very low53Low67 Ų6754 Ų5455%0.55433%0.325SS*.THydrogen-bonded Turntrans-144.4-37.5169.500000111.3T891T891-A893 PolarHBondContact O-N 3.49Å
894V31.9Very low53.6Low90 Ų9051.5 Ų51.555%0.54532%0.317SS..  trans-15372.1-173.5-167.80000111.6T891 A896 A903T891-V894 PolarHBondContact O-N 2.79Å; V894-A896 PolarHBondContact O-N 2.93Å; V894-A903 HydrophobicContact CB-CB 4.43Å; V894-A903 HydrophobicContact CG1-CB 3.64Å
895Q39.7Very low54.7Low59 Ų5949.2 Ų49.228%0.27631%0.31SS..  trans-72.8114.9171.2-94.4-155.8-2.900111.4R888 H890 V897 G902 A903 H904R888-Q895 PolarHBondContact O-NE2 3.37Å; H890-Q895 WeakPolarHBondContact O-CA 3.47Å; H890-Q895 WeakPolarHBondContact O-CG 3.38Å; Q895-V897 HydrophobicContact CB-CG2 3.84Å; Q895-V897 PolarHBondContact O-N 2.79Å; Q895-G902 CarbonylContact O-C 3.54Å; Q895-A903 CarbonylContact O-C 3.39Å; Q895-A903 WeakPolarHBondContact O-CA 3.34Å; Q895-H904 HydrophobicContact CB-CB 4.26Å; Q895-H904 PolarHBondContact O-N 3.26Å
896A46.9Very low56.2Low65 Ų6549.8 Ų49.854%0.53731%0.31SS..  trans-75.268.2174.200000112.7V894 H898 G902V894-A896 PolarHBondContact O-N 2.93Å; A896-H898 VanDerWaalsContact C-N 3.35Å; A896-H898 PolarHBondContact O-N 3.15Å; A896-G902 CarbonylContact C-O 3.46Å; A896-G902 WeakPolarHBondContact CA-O 3.49Å
897V62.3Low57.6Low13 Ų1348.8 Ų48.88%0.07930%0.301CS..  trans-63.8-35.2-169.2175.30000113.5H887 Q895 G902 H904 T954H887-V897 WeakPolarHBondContact CB-O 3.35Å; H887-V897 CarbonylContact O-C 3.59Å; H887-V897 VanDerWaalsContact O-CA 3.3Å; H887-V897 WeakPolarHBondContact O-CA 3.41Å; Q895-V897 HydrophobicContact CB-CG2 3.84Å; Q895-V897 PolarHBondContact O-N 2.79Å; V897-G902 PolarHBondContact N-O 2.8Å; V897-H904 HydrophobicContact CB-CB 4.44Å; V897-H904 HydrophobicContact CG2-CB 3.46Å; V897-H904 VanDerWaalsContact CG2-CB 3.46Å; V897-T954 HydrophobicContact CG1-CG2 4.29Å
898H82.8Confident58.8Low8 Ų850.9 Ų50.94%0.03731%0.313CS..BIsolated β-bridgetrans-156139-173.9166.9-112.8000109.2A896 L900 L901 G902 E946 A950 A1088 Y1089A896-H898 VanDerWaalsContact C-N 3.35Å; A896-H898 PolarHBondContact O-N 3.15Å; H898-L900 PolarHBondContact O-N 3.35Å; H898-L901 HydrophobicContact CB-CB 4.17Å; H898-L901 HydrophobicContact CB-CD1 4.19Å; H898-L901 HydrophobicContact CB-CG 4.37Å; H898-L901 PolarHBondContact ND1-N 3.2Å; H898-L901 PolarHBondContact O-N 3.26Å; H898-G902 PolarHBondContact O-N 3.36Å; H898-E946 IonicContact NE2-OE1 3.16Å; H898-A950 HydrophobicContact CB-CB 4.15Å; H898-A1088 PolarHBondContact CD2-O 3.17Å; H898-Y1089 AromaticContact NE2-CD1 3.28Å; H898-Y1089 VanDerWaalsContact NE2-CD1 3.28Å; H898-Y1089 WeakPolarHBondContact NE2-CD1 3.46Å; H898-Y1089 AromaticContact NE2-CE1 3.75Å
899P82.8Confident60.2Low25 Ų2546.2 Ų46.216%0.16230%0.297CS..THydrogen-bonded Turntrans-51.2-30.6-173-31.436.9000115.2H925 A1088 Y1089P899-H925 WeakPolarHBondContact CB-CE1 3.49Å; P899-H925 PolarHBondContact O-NE2 2.81Å; P899-A1088 VanDerWaalsContact CD-O 3.31Å; P899-A1088 WeakPolarHBondContact CD-O 2.96Å; P899-A1088 HydrophobicContact CG-CB 3.84Å; P899-Y1089 HydrophobicContact CB-CE1 4.07Å; P899-Y1089 HydrophobicContact CG-CE1 4.08Å
900L88.6Confident61.4Low0 Ų050 Ų500%031%0.306CS..THydrogen-bonded Turntrans-100.7-12.7-178.4-50.7175.4000115H898 A918 V920 W927 L928 F939 A943 M947 V979 Y1089 P1093H898-L900 PolarHBondContact O-N 3.35Å; L900-A918 WeakPolarHBondContact O-CB 3.35Å; L900-V920 HydrophobicContact CB-CG1 4.11Å; L900-V920 HydrophobicContact CD2-CB 4.23Å; L900-V920 HydrophobicContact CD2-CG1 3.52Å; L900-V920 HydrophobicContact CG-CG1 4.43Å; L900-W927 HydrophobicContact CD2-CZ2 4.36Å; L900-L928 HydrophobicContact CD2-CD1 4.25Å; L900-F939 HydrophobicContact CB-CZ 4.34Å; L900-F939 HydrophobicContact CD1-CZ 4.11Å; L900-F939 HydrophobicContact CD2-CE2 4.1Å; L900-F939 HydrophobicContact CD2-CZ 4.23Å; L900-F939 HydrophobicContact CG-CZ 4.47Å; L900-A943 HydrophobicContact CD1-CB 3.72Å; L900-M947 HydrophobicContact CB-CG 3.62Å; L900-M947 HydrophobicContact CB-SD 3.99Å; L900-M947 HydrophobicContact CD1-CG 4.41Å; L900-M947 WeakPolarHBondContact O-CE 3.41Å; L900-V979 WeakPolarHBondContact O-CG2 3Å; L900-Y1089 HydrophobicContact CD1-CE1 4.2Å; L900-Y1089 HydrophobicContact CG-CE1 4.15Å; L900-P1093 HydrophobicContact CD1-CG 3.78Å
901L86.1Confident63.1Low0 Ų050.1 Ų50.10%031%0.313CS..THydrogen-bonded Turntrans-95.9-32.5171.6-69.1172.1000111.5H898 W916 Q917 A918 M947 A950 A951 S981 F993H898-L901 HydrophobicContact CB-CB 4.17Å; H898-L901 HydrophobicContact CB-CD1 4.19Å; H898-L901 HydrophobicContact CB-CG 4.37Å; H898-L901 PolarHBondContact ND1-N 3.2Å; H898-L901 PolarHBondContact O-N 3.26Å; L901-W916 HydrophobicContact CB-CB 4.08Å; L901-W916 HydrophobicContact CB-CG 3.98Å; L901-W916 HydrophobicContact CD1-CG 4.46Å; L901-W916 HydrophobicContact CD2-CB 4.28Å; L901-W916 HydrophobicContact CD2-CD2 4.43Å; L901-W916 HydrophobicContact CD2-CG 4.19Å; L901-W916 HydrophobicContact CG-CG 4.45Å; L901-W916 WeakPolarHBondContact O-CB 3.02Å; L901-Q917 CarbonylContact O-C 3.59Å; L901-Q917 PolarHBondContact O-N 3.08Å; L901-A918 VanDerWaalsContact O-CB 3.3Å; L901-A918 WeakPolarHBondContact O-CB 3.17Å; L901-A918 PolarHBondContact O-N 2.62Å; L901-M947 HydrophobicContact CD2-CB 3.97Å; L901-M947 HydrophobicContact CD2-CE 3.91Å; L901-M947 HydrophobicContact CD2-CG 4.15Å; L901-M947 HydrophobicContact CG-CB 4.39Å; L901-M947 HydrophobicContact CG-CG 4.33Å; L901-A950 HydrophobicContact CD1-CB 3.75Å; L901-A951 HydrophobicContact CD1-CB 4.33Å; L901-S981 WeakPolarHBondContact CD2-OG 3.36Å; L901-F993 HydrophobicContact CD2-CE2 4.42Å; L901-F993 HydrophobicContact CD2-CZ 4.1Å
902G80.1Confident65.1Low12 Ų1249 Ų4912%0.12430%0.301CS..BIsolated β-bridgetrans66.3-133.6-176.300000111.1Q895 A896 V897 H898 Q917 A918Q895-G902 CarbonylContact O-C 3.54Å; A896-G902 CarbonylContact C-O 3.46Å; A896-G902 WeakPolarHBondContact CA-O 3.49Å; V897-G902 PolarHBondContact N-O 2.8Å; H898-G902 PolarHBondContact O-N 3.36Å; G902-Q917 CarbonylContact C-O 3.51Å; G902-Q917 WeakPolarHBondContact CA-O 3.43Å; G902-A918 VanDerWaalsContact N-CB 3.33Å
903A71.7Confident67.5Low9 Ų947.3 Ų47.37%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-44.9142.7175.800000111.7V894 Q895 W916 Q917V894-A903 HydrophobicContact CB-CB 4.43Å; V894-A903 HydrophobicContact CG1-CB 3.64Å; Q895-A903 CarbonylContact O-C 3.39Å; Q895-A903 WeakPolarHBondContact O-CA 3.34Å; A903-W916 CarbonylContact O-C 3.37Å; A903-W916 WeakPolarHBondContact O-CA 3.47Å; A903-W916 WeakPolarHBondContact O-CB 3.43Å; A903-Q917 HydrophobicContact CB-CB 4.08Å; A903-Q917 WeakPolarHBondContact CB-O 3.34Å; A903-Q917 PolarHBondContact N-O 2.86Å; A903-Q917 PolarHBondContact O-N 2.97Å
904H77.5Confident69.9Low32 Ų3244.9 Ų44.915%0.14825%0.245CC..EExtended strand (participates in β ladder)trans-121.6136.4161.6179.6-138.8000109.5Q895 V897 H914 V915 W916Q895-H904 HydrophobicContact CB-CB 4.26Å; Q895-H904 PolarHBondContact O-N 3.26Å; V897-H904 HydrophobicContact CB-CB 4.44Å; V897-H904 HydrophobicContact CG2-CB 3.46Å; V897-H904 VanDerWaalsContact CG2-CB 3.46Å; H904-H914 AromaticContact CE1-ND1 3.92Å; H904-H914 AromaticContact NE2-CG 3.74Å; H904-H914 AromaticContact NE2-ND1 3.46Å; H904-H914 PolarHBondContact NE2-ND1 3.11Å; H904-V915 WeakPolarHBondContact CA-O 3.33Å; H904-W916 AromaticContact CD2-CD1 3.82Å; H904-W916 AromaticContact CD2-CD2 3.89Å; H904-W916 AromaticContact CD2-CE2 3.27Å; H904-W916 AromaticContact CD2-CZ2 3.58Å; H904-W916 AromaticContact CD2-NE1 3.21Å; H904-W916 PolarHBondContact CD2-NE1 2.91Å; H904-W916 AromaticContact CG-NE1 3.49Å; H904-W916 AromaticContact NE2-CE2 3.84Å; H904-W916 AromaticContact NE2-CZ2 3.63Å
905V74.5Confident72.6Confident48 Ų4841 Ų4129%0.29122%0.221SC..EExtended strand (participates in β ladder)trans-135.1131.2169.7-175.10000108.4L907 V915V905-L907 HydrophobicContact CG1-CD2 3.84Å; V905-V915 HydrophobicContact CB-CG2 3.96Å; V905-V915 PolarHBondContact N-O 2.9Å; V905-V915 PolarHBondContact O-N 3Å
906H77.9Confident75Confident80 Ų8038.4 Ų38.437%0.3721%0.209SC..EExtended strand (participates in β ladder)trans-92.9126169.5-172.2-167.4000109.6E912 H914H906-E912 IonicContact CE1-OE1 2.82Å; H906-E912 PolarHBondContact CE1-OE1 2.83Å; H906-E912 VanDerWaalsContact CE1-OE1 3.26Å; H906-E912 WeakPolarHBondContact NE2-CG 3.4Å; H906-E912 IonicContact NE2-OE1 3.75Å; H906-E912 PolarHBondContact NE2-OE1 3.11Å; H906-E912 VanDerWaalsContact NE2-OE1 3.13Å; H906-H914 AromaticContact CD2-CE1 3.32Å; H906-H914 PolarHBondContact CD2-CE1 3.5Å; H906-H914 AromaticContact CD2-ND1 3.28Å; H906-H914 PolarHBondContact CD2-ND1 3.3Å; H906-H914 VanDerWaalsContact CD2-ND1 3.28Å; H906-H914 AromaticContact CE1-CE1 3.69Å; H906-H914 AromaticContact CG-CE1 3.58Å; H906-H914 AromaticContact CG-ND1 3.47Å; H906-H914 AromaticContact ND1-CE1 3.79Å; H906-H914 AromaticContact NE2-CE1 3.44Å; H906-H914 PolarHBondContact NE2-CE1 3.11Å; H906-H914 AromaticContact NE2-ND1 3.9Å
907L72.2Confident76.8Confident19 Ų1939.9 Ų39.910%0.09921%0.205CC..EExtended strand (participates in β ladder)trans-111.7112.9178.6-46.2165.8000108.1V905 E909 R913 V915 T1992V905-L907 HydrophobicContact CG1-CD2 3.84Å; L907-E909 HydrophobicContact CB-CG 4.11Å; L907-E909 PolarHBondContact O-N 2.77Å; L907-R913 CarbonylContact C-O 3.56Å; L907-R913 WeakPolarHBondContact CA-O 3.45Å; L907-R913 HydrophobicContact CB-CB 4.48Å; L907-R913 WeakPolarHBondContact CB-O 3.29Å; L907-R913 HydrophobicContact CD1-CG 4.42Å; L907-R913 PolarHBondContact N-O 3.05Å; L907-R913 PolarHBondContact O-N 3.21Å; L907-V915 HydrophobicContact CD1-CB 4.38Å; L907-V915 HydrophobicContact CD1-CG1 3.62Å; L907-V915 HydrophobicContact CD1-CG2 3.83Å; L907-V915 HydrophobicContact CG-CG2 4.18Å; L907-T1992 HydrophobicContact CD1-CG2 4.48Å; L907-T1992 HydrophobicContact CD2-CG2 4.31Å
908L63.2Low77.9Confident84 Ų8439.6 Ų39.644%0.4420%0.203SC..  trans-74.236.4179.3-59174.3000112.4K1994L908-K1994 WeakPolarHBondContact O-CD 3.42Å; L908-K1994 WeakPolarHBondContact O-CE 3.14Å; L908-K1994 PolarHBondContact O-NZ 2.87Å
909E63.7Low78Confident22 Ų2240.5 Ų40.510%0.10322%0.215CC..  trans-63.4178.7175.335.7-178.4178.400114.2L907 P911 E912 R913 R1646 K1994L907-E909 HydrophobicContact CB-CG 4.11Å; L907-E909 PolarHBondContact O-N 2.77Å; E909-P911 CarbonylContact C-O 3.58Å; E909-P911 CarbonylContact O-C 3.52Å; E909-P911 VanDerWaalsContact O-C 3.29Å; E909-E912 VanDerWaalsContact O-CA 3.25Å; E909-E912 WeakPolarHBondContact O-CA 3.3Å; E909-E912 PolarHBondContact O-N 2.8Å; E909-E912 VanDerWaalsContact O-N 3.12Å; E909-R913 HydrophobicContact CG-CB 3.88Å; E909-R913 WeakPolarHBondContact OE1-CD 3.42Å; E909-R913 IonicContact OE1-CZ 3.8Å; E909-R913 IonicContact OE1-NE 3.45Å; E909-R913 IonicContact OE1-NH1 2.74Å; E909-R913 PolarHBondContact OE1-NH1 3.31Å; E909-R1646 IonicContact OE2-CZ 2.78Å; E909-R1646 IonicContact OE2-NH1 2.84Å; E909-R1646 IonicContact OE2-NH2 3.66Å; E909-R1646 PolarHBondContact OE2-NH2 3.07Å; E909-K1994 HydrophobicContact CB-CB 3.75Å; E909-K1994 HydrophobicContact CB-CD 4.33Å; E909-K1994 HydrophobicContact CB-CG 3.69Å
910E54.9Low78.3Confident160 Ų16039.3 Ų39.375%0.74821%0.208SC*.SBendtrans-127.8110.8171.8-118.8153.8-70.100108K1994E910-K1994 IonicContact OE1-NZ 3.69Å; E910-K1994 PolarHBondContact OE1-NZ 2.84Å
911P66.4Low78.2Confident77 Ų7739.4 Ų39.450%0.521%0.209SC..SBendcis-60.4151.7-7.628-36.4000113.8E909 T984 I985E909-P911 CarbonylContact C-O 3.58Å; E909-P911 CarbonylContact O-C 3.52Å; E909-P911 VanDerWaalsContact O-C 3.29Å; P911-T984 HydrophobicContact CB-CG2 3.86Å; P911-T984 HydrophobicContact CG-CG2 3.51Å; P911-I985 VanDerWaalsContact CB-O 3.31Å; P911-I985 WeakPolarHBondContact CB-O 3.43Å
912E74.3Confident78.1Confident73 Ų7341.2 Ų41.234%0.34122%0.22SC..  trans-61.7145.7177.6179-179.9142.100111.4H906 E909 T984 I985H906-E912 IonicContact CE1-OE1 2.82Å; H906-E912 PolarHBondContact CE1-OE1 2.83Å; H906-E912 VanDerWaalsContact CE1-OE1 3.26Å; H906-E912 WeakPolarHBondContact NE2-CG 3.4Å; H906-E912 IonicContact NE2-OE1 3.75Å; H906-E912 PolarHBondContact NE2-OE1 3.11Å; H906-E912 VanDerWaalsContact NE2-OE1 3.13Å; E909-E912 VanDerWaalsContact O-CA 3.25Å; E909-E912 WeakPolarHBondContact O-CA 3.3Å; E909-E912 PolarHBondContact O-N 2.8Å; E909-E912 VanDerWaalsContact O-N 3.12Å; E912-T984 CarbonylContact O-C 3.6Å; E912-T984 WeakPolarHBondContact O-CA 3.18Å; E912-I985 HydrophobicContact CB-CB 4.35Å; E912-I985 HydrophobicContact CB-CD1 3.8Å; E912-I985 HydrophobicContact CB-CG1 3.95Å; E912-I985 VanDerWaalsContact CD-CD1 3.48Å; E912-I985 HydrophobicContact CG-CD1 3.9Å; E912-I985 HydrophobicContact CG-CG1 4.27Å; E912-I985 PolarHBondContact O-N 3.04Å
913R82.2Confident78Confident51 Ų5143.7 Ų43.719%0.19225%0.245CC..EExtended strand (participates in β ladder)trans-150.6130.5-168.3-172.4-176.1-176.9-168.70.5114L907 E909 V915 A983 T984L907-R913 CarbonylContact C-O 3.56Å; L907-R913 WeakPolarHBondContact CA-O 3.45Å; L907-R913 HydrophobicContact CB-CB 4.48Å; L907-R913 WeakPolarHBondContact CB-O 3.29Å; L907-R913 HydrophobicContact CD1-CG 4.42Å; L907-R913 PolarHBondContact N-O 3.05Å; L907-R913 PolarHBondContact O-N 3.21Å; E909-R913 HydrophobicContact CG-CB 3.88Å; E909-R913 WeakPolarHBondContact OE1-CD 3.42Å; E909-R913 IonicContact OE1-CZ 3.8Å; E909-R913 IonicContact OE1-NE 3.45Å; E909-R913 IonicContact OE1-NH1 2.74Å; E909-R913 PolarHBondContact OE1-NH1 3.31Å; R913-V915 HydrophobicContact CG-CG1 4.17Å; R913-A983 CarbonylContact C-O 3.58Å; R913-A983 WeakPolarHBondContact CA-O 3.35Å; R913-T984 HydrophobicContact CB-CG2 4.46Å
914H88.5Confident78.3Confident15 Ų1545.7 Ų45.77%0.06926%0.261CS..EExtended strand (participates in β ladder)trans-96.5148.4164.6-50.9-83.8000110.4H904 H906 W916 T955 A982 A983H904-H914 AromaticContact CE1-ND1 3.92Å; H904-H914 AromaticContact NE2-CG 3.74Å; H904-H914 AromaticContact NE2-ND1 3.46Å; H904-H914 PolarHBondContact NE2-ND1 3.11Å; H906-H914 AromaticContact CD2-CE1 3.32Å; H906-H914 PolarHBondContact CD2-CE1 3.5Å; H906-H914 AromaticContact CD2-ND1 3.28Å; H906-H914 PolarHBondContact CD2-ND1 3.3Å; H906-H914 VanDerWaalsContact CD2-ND1 3.28Å; H906-H914 AromaticContact CE1-CE1 3.69Å; H906-H914 AromaticContact CG-CE1 3.58Å; H906-H914 AromaticContact CG-ND1 3.47Å; H906-H914 AromaticContact ND1-CE1 3.79Å; H906-H914 AromaticContact NE2-CE1 3.44Å; H906-H914 PolarHBondContact NE2-CE1 3.11Å; H906-H914 AromaticContact NE2-ND1 3.9Å; H914-W916 HydrophobicContact CB-CH2 3.6Å; H914-W916 HydrophobicContact CB-CZ2 4.18Å; H914-W916 HydrophobicContact CB-CZ3 3.78Å; H914-T955 HydrophobicContact CB-CG2 4.09Å; H914-T955 WeakPolarHBondContact CD2-CG2 3.3Å; H914-A982 CarbonylContact O-C 3.59Å; H914-A982 VanDerWaalsContact O-CA 3.25Å; H914-A982 WeakPolarHBondContact O-CA 3.3Å; H914-A983 HydrophobicContact CB-CB 4.39Å; H914-A983 PolarHBondContact N-O 2.94Å; H914-A983 PolarHBondContact O-N 3.07Å
915V87.5Confident78.8Confident9 Ų946.2 Ų46.26%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-136.4154.6173.8-62.30000111.6H904 V905 L907 R913 S981 A982 A1991 T1992H904-V915 WeakPolarHBondContact CA-O 3.33Å; V905-V915 HydrophobicContact CB-CG2 3.96Å; V905-V915 PolarHBondContact N-O 2.9Å; V905-V915 PolarHBondContact O-N 3Å; L907-V915 HydrophobicContact CD1-CB 4.38Å; L907-V915 HydrophobicContact CD1-CG1 3.62Å; L907-V915 HydrophobicContact CD1-CG2 3.83Å; L907-V915 HydrophobicContact CG-CG2 4.18Å; R913-V915 HydrophobicContact CG-CG1 4.17Å; V915-S981 CarbonylContact C-O 3.51Å; V915-S981 WeakPolarHBondContact CA-O 3.27Å; V915-A982 HydrophobicContact CG1-CB 3.96Å; V915-A1991 WeakPolarHBondContact CG1-O 3.43Å; V915-T1992 HydrophobicContact CG2-CG2 3.82Å
916W90Very high79.3Confident5 Ų548.4 Ų48.42%0.01928%0.279CS..EExtended strand (participates in β ladder)trans-137.9155.6179.9-62.9-98.1000113.2L901 A903 H904 H914 A951 T954 T955 S980 S981 A983 F993L901-W916 HydrophobicContact CB-CB 4.08Å; L901-W916 HydrophobicContact CB-CG 3.98Å; L901-W916 HydrophobicContact CD1-CG 4.46Å; L901-W916 HydrophobicContact CD2-CB 4.28Å; L901-W916 HydrophobicContact CD2-CD2 4.43Å; L901-W916 HydrophobicContact CD2-CG 4.19Å; L901-W916 HydrophobicContact CG-CG 4.45Å; L901-W916 WeakPolarHBondContact O-CB 3.02Å; A903-W916 CarbonylContact O-C 3.37Å; A903-W916 WeakPolarHBondContact O-CA 3.47Å; A903-W916 WeakPolarHBondContact O-CB 3.43Å; H904-W916 AromaticContact CD2-CD1 3.82Å; H904-W916 AromaticContact CD2-CD2 3.89Å; H904-W916 AromaticContact CD2-CE2 3.27Å; H904-W916 AromaticContact CD2-CZ2 3.58Å; H904-W916 AromaticContact CD2-NE1 3.21Å; H904-W916 PolarHBondContact CD2-NE1 2.91Å; H904-W916 AromaticContact CG-NE1 3.49Å; H904-W916 AromaticContact NE2-CE2 3.84Å; H904-W916 AromaticContact NE2-CZ2 3.63Å; H914-W916 HydrophobicContact CB-CH2 3.6Å; H914-W916 HydrophobicContact CB-CZ2 4.18Å; H914-W916 HydrophobicContact CB-CZ3 3.78Å; W916-A951 HydrophobicContact CH2-CB 3.86Å; W916-A951 HydrophobicContact CZ2-CB 4.06Å; W916-A951 HydrophobicContact CZ3-CB 4.37Å; W916-T954 HydrophobicContact CZ2-CG2 4.2Å; W916-T955 HydrophobicContact CH2-CG2 3.62Å; W916-T955 HydrophobicContact CZ2-CG2 3.93Å; W916-S980 CarbonylContact O-C 3.56Å; W916-S980 VanDerWaalsContact O-CA 3.3Å; W916-S980 WeakPolarHBondContact O-CA 3.45Å; W916-S981 PolarHBondContact N-O 3.45Å; W916-S981 PolarHBondContact O-N 2.73Å; W916-A983 HydrophobicContact CH2-CB 3.8Å; W916-A983 HydrophobicContact CZ3-CB 3.62Å; W916-F993 HydrophobicContact CE3-CE2 4.32Å; W916-F993 HydrophobicContact CZ3-CD2 4.3Å; W916-F993 HydrophobicContact CZ3-CE2 4.07Å
917Q85.6Confident80Confident96 Ų9645.3 Ų45.345%0.44926%0.264SS..EExtended strand (participates in β ladder)trans-152.5115.9-177.5-172.5174.93.600112L901 G902 A903 V979 Q1989 P1990L901-Q917 CarbonylContact O-C 3.59Å; L901-Q917 PolarHBondContact O-N 3.08Å; G902-Q917 CarbonylContact C-O 3.51Å; G902-Q917 WeakPolarHBondContact CA-O 3.43Å; A903-Q917 HydrophobicContact CB-CB 4.08Å; A903-Q917 WeakPolarHBondContact CB-O 3.34Å; A903-Q917 PolarHBondContact N-O 2.86Å; A903-Q917 PolarHBondContact O-N 2.97Å; Q917-V979 WeakPolarHBondContact CA-O 3.33Å; Q917-Q1989 HydrophobicContact CG-CG 4.39Å; Q917-P1990 HydrophobicContact CB-CB 4.4Å; Q917-P1990 HydrophobicContact CG-CB 4.05Å; Q917-P1990 HydrophobicContact CG-CG 3.9Å
918A85.6Confident80.9Confident6 Ų644.4 Ų44.45%0.0526%0.26CS..EExtended strand (participates in β ladder)trans-125.1163-173.800000113.7L900 L901 G902 V920 V978 V979L900-A918 WeakPolarHBondContact O-CB 3.35Å; L901-A918 VanDerWaalsContact O-CB 3.3Å; L901-A918 WeakPolarHBondContact O-CB 3.17Å; L901-A918 PolarHBondContact O-N 2.62Å; G902-A918 VanDerWaalsContact N-CB 3.33Å; A918-V920 HydrophobicContact CB-CG1 4.21Å; A918-V978 CarbonylContact O-C 3.55Å; A918-V978 WeakPolarHBondContact O-CA 3.5Å; A918-V978 WeakPolarHBondContact O-CB 3.43Å; A918-V978 WeakPolarHBondContact O-CG1 3.41Å; A918-V979 HydrophobicContact CB-CG2 3.57Å; A918-V979 PolarHBondContact N-O 2.86Å; A918-V979 PolarHBondContact O-N 2.97Å
919G85.3Confident82.1Confident28 Ų2840.9 Ų40.929%0.28924%0.243SC..EExtended strand (participates in β ladder)trans-96.3111.2156.600000110.6A924 H925G919-A924 WeakPolarHBondContact O-CB 3.47Å; G919-H925 PolarHBondContact O-NE2 3.1Å
920V89.5Confident83.5Confident0 Ų041.7 Ų41.70%025%0.248CC..  trans-118.226.2169.6-52.30000113L900 A918 L928 F939 T977 V979 Q1987 N1988L900-V920 HydrophobicContact CB-CG1 4.11Å; L900-V920 HydrophobicContact CD2-CB 4.23Å; L900-V920 HydrophobicContact CD2-CG1 3.52Å; L900-V920 HydrophobicContact CG-CG1 4.43Å; A918-V920 HydrophobicContact CB-CG1 4.21Å; V920-L928 HydrophobicContact CB-CD1 3.93Å; V920-L928 WeakPolarHBondContact O-CD1 3.21Å; V920-F939 HydrophobicContact CB-CE2 3.89Å; V920-F939 HydrophobicContact CG1-CE2 4.26Å; V920-F939 HydrophobicContact CG2-CD2 3.95Å; V920-F939 HydrophobicContact CG2-CE2 3.51Å; V920-F939 HydrophobicContact CG2-CZ 4.23Å; V920-T977 PolarHBondContact N-O 3.08Å; V920-V979 HydrophobicContact CB-CG2 4.28Å; V920-V979 HydrophobicContact CG1-CG2 3.65Å; V920-V979 HydrophobicContact CG2-CB 4.07Å; V920-V979 HydrophobicContact CG2-CG1 3.48Å; V920-V979 VanDerWaalsContact CG2-CG1 3.48Å; V920-V979 HydrophobicContact CG2-CG2 3.62Å; V920-Q1987 PolarHBondContact O-NE2 3.36Å; V920-N1988 WeakPolarHBondContact CG2-ND2 3.39Å; V920-N1988 WeakPolarHBondContact CG2-OD1 3.37Å
921G85.2Confident85.3Confident2 Ų234.6 Ų34.62%0.02122%0.215CC..SBendtrans-55.1156.4165.400000112G923 A924 H925 E975 T977 Q1987G921-G923 PolarHBondContact O-N 3.2Å; G921-A924 PolarHBondContact O-N 3.46Å; G921-H925 PolarHBondContact O-N 3.1Å; G921-E975 CarbonylContact C-O 3.56Å; G921-E975 VanDerWaalsContact CA-O 3.29Å; G921-E975 WeakPolarHBondContact CA-O 3.48Å; G921-T977 VanDerWaalsContact CA-O 3.31Å; G921-T977 WeakPolarHBondContact CA-O 3.44Å; G921-T977 PolarHBondContact N-O 2.99Å; G921-Q1987 VanDerWaalsContact C-NE2 3.26Å
922T83.9Confident86.2Confident38 Ų3835.7 Ų35.723%0.23321%0.209CC..THydrogen-bonded Turntrans-65.5-26.6174.253.80000112.7A924 H925 P926 L973 D974 E975T922-A924 VanDerWaalsContact C-N 3.25Å; T922-A924 PolarHBondContact O-N 2.97Å; T922-H925 CarbonylContact O-C 3.6Å; T922-P926 VanDerWaalsContact O-CA 3.27Å; T922-P926 WeakPolarHBondContact O-CA 3.38Å; T922-L973 HydrophobicContact CG2-CD1 3.59Å; T922-D974 PolarHBondContact N-O 3.06Å; T922-D974 PolarHBondContact OG1-O 2.96Å; T922-E975 PolarHBondContact N-O 3.48Å; T922-E975 WeakPolarHBondContact OG1-CA 3.48Å
923G77.4Confident86Confident63 Ų6333 Ų3365%0.64920%0.197SC*.THydrogen-bonded Turntrans-70.3-20.3171.900000113.7G921 E975G921-G923 PolarHBondContact O-N 3.2Å; G923-E975 PolarHBondContact N-O 3.45Å
924A78.8Confident85.4Confident51 Ų5134.8 Ų34.842%0.42121%0.207SC..THydrogen-bonded Turntrans-91.6-45.7175.700000111.5G919 G921 T922G919-A924 WeakPolarHBondContact O-CB 3.47Å; G921-A924 PolarHBondContact O-N 3.46Å; T922-A924 VanDerWaalsContact C-N 3.25Å; T922-A924 PolarHBondContact O-N 2.97Å
925H88Confident84.5Confident43 Ų4336.6 Ų36.620%0.19922%0.218CC..  trans-126.683.9179.1-65.1-44.9000110.8P899 G919 G921 T922 W927 L928P899-H925 WeakPolarHBondContact CB-CE1 3.49Å; P899-H925 PolarHBondContact O-NE2 2.81Å; G919-H925 PolarHBondContact O-NE2 3.1Å; G921-H925 PolarHBondContact O-N 3.1Å; T922-H925 CarbonylContact O-C 3.6Å; H925-W927 AromaticContact CG-NE1 3.89Å; H925-W927 AromaticContact ND1-NE1 3.92Å; H925-W927 PolarHBondContact O-N 2.99Å; H925-W927 VanDerWaalsContact O-N 3.07Å; H925-L928 HydrophobicContact CB-CB 4.48Å; H925-L928 HydrophobicContact CB-CD1 3.76Å; H925-L928 HydrophobicContact CB-CG 3.9Å; H925-L928 WeakPolarHBondContact O-CB 3.39Å; H925-L928 PolarHBondContact O-N 3.46Å
926P86.1Confident83.8Confident95 Ų9537.2 Ų37.262%0.61722%0.221SC*.G310 helixtrans-56-30.3-177.4-2936.2000114T922 L928 G929T922-P926 VanDerWaalsContact O-CA 3.27Å; T922-P926 WeakPolarHBondContact O-CA 3.38Å; P926-L928 VanDerWaalsContact C-N 3.28Å; P926-L928 PolarHBondContact O-N 2.82Å; P926-G929 WeakPolarHBondContact O-CA 3.49Å; P926-G929 PolarHBondContact O-N 3.17Å
927W91.8Very high83.4Confident14 Ų1437.2 Ų37.25%0.05322%0.223CC..G310 helixtrans-66.8-22.4178.170.3-90.9000113.9L900 H925 G929 D930 A1055 F1056 I1082 Y1089 H1092 P1093 A1094L900-W927 HydrophobicContact CD2-CZ2 4.36Å; H925-W927 AromaticContact CG-NE1 3.89Å; H925-W927 AromaticContact ND1-NE1 3.92Å; H925-W927 PolarHBondContact O-N 2.99Å; H925-W927 VanDerWaalsContact O-N 3.07Å; W927-G929 PolarHBondContact O-N 3.48Å; W927-D930 WeakPolarHBondContact O-CB 3.32Å; W927-D930 PolarHBondContact O-N 2.97Å; W927-A1055 HydrophobicContact CB-CB 3.8Å; W927-F1056 AromaticContact CE3-CE2 3.67Å; W927-F1056 HydrophobicContact CE3-CE2 3.67Å; W927-F1056 AromaticContact CE3-CZ 4Å; W927-F1056 HydrophobicContact CE3-CZ 4Å; W927-F1056 AromaticContact CZ3-CE2 3.8Å; W927-F1056 HydrophobicContact CZ3-CE2 3.8Å; W927-F1056 AromaticContact CZ3-CZ 3.61Å; W927-F1056 HydrophobicContact CZ3-CZ 3.61Å; W927-F1056 WeakPolarHBondContact O-CE2 3.29Å; W927-I1082 HydrophobicContact CB-CG2 3.68Å; W927-I1082 HydrophobicContact CG-CG2 4.12Å; W927-Y1089 HydrophobicContact CZ2-CE1 4.41Å; W927-Y1089 AromaticContact CZ2-CZ 3.99Å; W927-Y1089 VanDerWaalsContact CZ2-OH 3.29Å; W927-Y1089 WeakPolarHBondContact CZ2-OH 3.1Å; W927-H1092 AromaticContact CE3-CE1 3.79Å; W927-H1092 AromaticContact CH2-CE1 3.81Å; W927-H1092 AromaticContact CZ3-CE1 3.64Å; W927-P1093 HydrophobicContact CH2-CB 3.88Å; W927-P1093 HydrophobicContact CH2-CG 3.89Å; W927-P1093 HydrophobicContact CZ3-CB 4.27Å; W927-A1094 HydrophobicContact CZ3-CB 4.46Å
928L92Very high83.3Confident1 Ų132.7 Ų32.71%0.00520%0.201CC..G310 helixtrans-66.5-23.1170.3-69.8176.6000111.7L900 V920 H925 P926 D930 H931 F939L900-L928 HydrophobicContact CD2-CD1 4.25Å; V920-L928 HydrophobicContact CB-CD1 3.93Å; V920-L928 WeakPolarHBondContact O-CD1 3.21Å; H925-L928 HydrophobicContact CB-CB 4.48Å; H925-L928 HydrophobicContact CB-CD1 3.76Å; H925-L928 HydrophobicContact CB-CG 3.9Å; H925-L928 WeakPolarHBondContact O-CB 3.39Å; H925-L928 PolarHBondContact O-N 3.46Å; P926-L928 VanDerWaalsContact C-N 3.28Å; P926-L928 PolarHBondContact O-N 2.82Å; L928-D930 PolarHBondContact O-N 2.97Å; L928-H931 PolarHBondContact O-N 2.99Å; L928-F939 HydrophobicContact CD1-CD2 4.07Å; L928-F939 HydrophobicContact CD1-CE2 3.88Å; L928-F939 HydrophobicContact CD2-CD2 4.47Å; L928-F939 HydrophobicContact CD2-CE2 4.42Å
929G87.6Confident83.6Confident9 Ų932.8 Ų32.89%0.09320%0.2CC..G310 helixtrans-65.9-9.2172.500000114.7P926 W927 R932P926-G929 WeakPolarHBondContact O-CA 3.49Å; P926-G929 PolarHBondContact O-N 3.17Å; W927-G929 PolarHBondContact O-N 3.48Å; G929-R932 VanDerWaalsContact O-CZ 3.29Å; G929-R932 PolarHBondContact O-NE 3.04Å; G929-R932 PolarHBondContact O-NH2 3.04Å
930D91.9Very high83.9Confident40 Ų4031.5 Ų31.521%0.21419%0.187CC..G310 helixtrans-93.1-13.4177.2-84.4-13.9000114.3W927 L928 Q1051 Y1052 G1053 P1054 A1055 F1056W927-D930 WeakPolarHBondContact O-CB 3.32Å; W927-D930 PolarHBondContact O-N 2.97Å; L928-D930 PolarHBondContact O-N 2.97Å; D930-Q1051 VanDerWaalsContact O-O 3.08Å; D930-Y1052 CarbonylContact O-C 3.48Å; D930-Y1052 WeakPolarHBondContact O-CA 3.25Å; D930-G1053 PolarHBondContact O-N 3Å; D930-P1054 VanDerWaalsContact OD2-CD 3.29Å; D930-P1054 WeakPolarHBondContact OD2-CD 3.41Å; D930-A1055 HydrophobicContact CB-CB 3.99Å; D930-A1055 VanDerWaalsContact OD2-CB 3.31Å; D930-A1055 WeakPolarHBondContact OD2-CB 3.3Å; D930-A1055 PolarHBondContact OD2-N 3.22Å; D930-F1056 HydrophobicContact CB-CD2 3.95Å
931H93Very high83.8Confident10 Ų1032 Ų325%0.04619%0.192CC..EExtended strand (participates in β ladder)trans-98.4109.5173.6170.8-78.4000109.2L928 A937 A938 Y1052 F1056 D1097L928-H931 PolarHBondContact O-N 2.99Å; H931-A937 CarbonylContact O-C 3.58Å; H931-A937 WeakPolarHBondContact O-CA 3.49Å; H931-A938 PolarHBondContact ND1-O 3.15Å; H931-A938 PolarHBondContact O-N 2.92Å; H931-Y1052 AromaticContact CD2-CE1 3.59Å; H931-F1056 HydrophobicContact CB-CD1 4.02Å; H931-F1056 HydrophobicContact CB-CD2 3.78Å; H931-F1056 HydrophobicContact CB-CE1 3.73Å; H931-F1056 HydrophobicContact CB-CE2 3.47Å; H931-F1056 VanDerWaalsContact CB-CE2 3.47Å; H931-F1056 HydrophobicContact CB-CG 4.05Å; H931-F1056 HydrophobicContact CB-CZ 3.45Å; H931-F1056 VanDerWaalsContact CB-CZ 3.45Å; H931-F1056 AromaticContact CD2-CE1 3.8Å; H931-D1097 IonicContact NE2-OD1 3.87Å
932R85.8Confident84.3Confident101 Ų10131.9 Ų31.938%0.38119%0.191SC..EExtended strand (participates in β ladder)trans-131148.7-177.2-31.2-168.2171.3-173.9-5.3114.3G929 V936 A937 I1050 Q1051G929-R932 VanDerWaalsContact O-CZ 3.29Å; G929-R932 PolarHBondContact O-NE 3.04Å; G929-R932 PolarHBondContact O-NH2 3.04Å; R932-V936 CarbonylContact C-O 3.56Å; R932-V936 WeakPolarHBondContact CA-O 3.49Å; R932-A937 HydrophobicContact CB-CB 4.42Å; R932-A937 HydrophobicContact CG-CB 3.86Å; R932-I1050 CarbonylContact O-C 3.58Å; R932-I1050 WeakPolarHBondContact O-CA 3.49Å; R932-I1050 WeakPolarHBondContact O-CG2 3.32Å; R932-Q1051 HydrophobicContact CB-CB 4.08Å; R932-Q1051 HydrophobicContact CG-CB 4.32Å; R932-Q1051 PolarHBondContact N-O 2.98Å; R932-Q1051 PolarHBondContact O-N 2.85Å
933I70.7Confident84.8Confident16 Ų1630.1 Ų30.18%0.08218%0.18CC..EExtended strand (participates in β ladder)trans-123.8115.1179.7-65.9170.1000107.2N935 V936 A938 G1049 L1117 L1119I933-N935 PolarHBondContact O-N 3.14Å; I933-V936 PolarHBondContact N-O 2.83Å; I933-V936 VanDerWaalsContact O-CA 3.28Å; I933-V936 WeakPolarHBondContact O-CA 3.2Å; I933-V936 WeakPolarHBondContact O-CB 3.36Å; I933-V936 WeakPolarHBondContact O-CG2 3.37Å; I933-V936 PolarHBondContact O-N 3.06Å; I933-A938 HydrophobicContact CB-CB 4.37Å; I933-A938 HydrophobicContact CD1-CB 3.6Å; I933-A938 HydrophobicContact CG1-CB 3.97Å; I933-G1049 CarbonylContact C-O 3.29Å; I933-L1117 HydrophobicContact CG2-CD1 4.06Å; I933-L1117 HydrophobicContact CG2-CD2 3.49Å; I933-L1117 VanDerWaalsContact CG2-CD2 3.49Å; I933-L1117 HydrophobicContact CG2-CG 4.43Å; I933-L1119 HydrophobicContact CD1-CD1 3.96Å; I933-L1119 HydrophobicContact CD1-CD2 3.62Å; I933-L1119 HydrophobicContact CD1-CG 4.46Å; I933-L1119 HydrophobicContact CG1-CD2 4.16Å
934H68.7Low85.6Confident88 Ų8827.4 Ų27.441%0.40715%0.151SC..THydrogen-bonded Turntrans52.935.2-169.4-51-62.3000113.3V936 G1049H934-V936 PolarHBondContact O-N 3.33Å; H934-V936 VanDerWaalsContact O-N 3.15Å; H934-G1049 PolarHBondContact N-O 2.91Å
935N69.6Low86.3Confident54 Ų5425 Ų2529%0.28913%0.131SC..THydrogen-bonded Turntrans61.62.4-167.7-56.7-76000115.3I933 A937 Q1051 H1983I933-N935 PolarHBondContact O-N 3.14Å; N935-A937 PolarHBondContact O-N 3.32Å; N935-Q1051 VanDerWaalsContact CA-OE1 3.26Å; N935-H1983 WeakPolarHBondContact CB-O 3.3Å
936V73.4Confident86.6Confident22 Ų2223 Ų2313%0.13312%0.122CC..EExtended strand (participates in β ladder)trans-66.794.4161.1-176.90000107.7R932 I933 H934 A938 L972 T1985R932-V936 CarbonylContact C-O 3.56Å; R932-V936 WeakPolarHBondContact CA-O 3.49Å; I933-V936 PolarHBondContact N-O 2.83Å; I933-V936 VanDerWaalsContact O-CA 3.28Å; I933-V936 WeakPolarHBondContact O-CA 3.2Å; I933-V936 WeakPolarHBondContact O-CB 3.36Å; I933-V936 WeakPolarHBondContact O-CG2 3.37Å; I933-V936 PolarHBondContact O-N 3.06Å; H934-V936 PolarHBondContact O-N 3.33Å; H934-V936 VanDerWaalsContact O-N 3.15Å; V936-A938 WeakPolarHBondContact O-CB 3.24Å; V936-A938 PolarHBondContact O-N 3.19Å; V936-L972 HydrophobicContact CG1-CD2 3.54Å; V936-T1985 CarbonylContact C-O 3.56Å; V936-T1985 VanDerWaalsContact CA-N 3.32Å; V936-T1985 WeakPolarHBondContact CA-O 3.42Å; V936-T1985 WeakPolarHBondContact CG1-OG1 3.39Å; V936-T1985 VanDerWaalsContact CG2-OG1 3.27Å; V936-T1985 WeakPolarHBondContact CG2-OG1 3.31Å
937A81Confident87Confident5 Ų518.5 Ų18.54%0.0419%0.092CC..EExtended strand (participates in β ladder)trans-50.1132.9166.200000107.9H931 R932 N935 L973 T1985 G1986H931-A937 CarbonylContact O-C 3.58Å; H931-A937 WeakPolarHBondContact O-CA 3.49Å; R932-A937 HydrophobicContact CB-CB 4.42Å; R932-A937 HydrophobicContact CG-CB 3.86Å; N935-A937 PolarHBondContact O-N 3.32Å; A937-L973 HydrophobicContact CB-CD1 3.33Å; A937-L973 HydrophobicContact CB-CG 4.35Å; A937-L973 WeakPolarHBondContact O-CG 3.47Å; A937-T1985 PolarHBondContact N-O 3.07Å; A937-T1985 CarbonylContact O-C 3.55Å; A937-T1985 VanDerWaalsContact O-C 3.29Å; A937-T1985 VanDerWaalsContact O-O 3.13Å; A937-G1986 WeakPolarHBondContact O-CA 3.3Å; A937-G1986 PolarHBondContact O-N 2.95Å
938A83.8Confident87.1Confident0 Ų017.9 Ų17.90%09%0.09CC..  trans-141139.5-158.700000109.7H931 I933 V936 P940 G1986H931-A938 PolarHBondContact ND1-O 3.15Å; H931-A938 PolarHBondContact O-N 2.92Å; I933-A938 HydrophobicContact CB-CB 4.37Å; I933-A938 HydrophobicContact CD1-CB 3.6Å; I933-A938 HydrophobicContact CG1-CB 3.97Å; V936-A938 WeakPolarHBondContact O-CB 3.24Å; V936-A938 PolarHBondContact O-N 3.19Å; A938-P940 VanDerWaalsContact O-CD 3.28Å; A938-P940 WeakPolarHBondContact O-CD 3.45Å; A938-G1986 WeakPolarHBondContact CA-O 3.46Å
939F92.6Very high87.1Confident8 Ų818.5 Ų18.54%0.0359%0.093CC..  trans-68.1116.3173.4-157.1-103.2000109.8L900 V920 L928 A943 Y944 M947 L971 G1986L900-F939 HydrophobicContact CB-CZ 4.34Å; L900-F939 HydrophobicContact CD1-CZ 4.11Å; L900-F939 HydrophobicContact CD2-CE2 4.1Å; L900-F939 HydrophobicContact CD2-CZ 4.23Å; L900-F939 HydrophobicContact CG-CZ 4.47Å; V920-F939 HydrophobicContact CB-CE2 3.89Å; V920-F939 HydrophobicContact CG1-CE2 4.26Å; V920-F939 HydrophobicContact CG2-CD2 3.95Å; V920-F939 HydrophobicContact CG2-CE2 3.51Å; V920-F939 HydrophobicContact CG2-CZ 4.23Å; L928-F939 HydrophobicContact CD1-CD2 4.07Å; L928-F939 HydrophobicContact CD1-CE2 3.88Å; L928-F939 HydrophobicContact CD2-CD2 4.47Å; L928-F939 HydrophobicContact CD2-CE2 4.42Å; F939-A943 HydrophobicContact CD1-CB 4.04Å; F939-A943 HydrophobicContact CE1-CB 3.47Å; F939-A943 VanDerWaalsContact CE1-CB 3.47Å; F939-A943 HydrophobicContact CE2-CB 4.14Å; F939-A943 HydrophobicContact CZ-CB 3.54Å; F939-Y944 AromaticContact CD1-CD1 3.87Å; F939-Y944 HydrophobicContact CD1-CD1 3.87Å; F939-Y944 HydrophobicContact CD1-CD2 4.49Å; F939-Y944 AromaticContact CD1-CE1 3.57Å; F939-Y944 HydrophobicContact CD1-CE1 3.57Å; F939-Y944 HydrophobicContact CD1-CE2 4.26Å; F939-Y944 HydrophobicContact CD1-CG 4.34Å; F939-Y944 AromaticContact CD1-CZ 3.82Å; F939-Y944 AromaticContact CE1-CD1 3.73Å; F939-Y944 HydrophobicContact CE1-CD1 3.73Å; F939-Y944 AromaticContact CE1-CE1 3.81Å; F939-Y944 HydrophobicContact CE1-CE1 3.81Å; F939-Y944 HydrophobicContact CE1-CG 4.33Å; F939-M947 HydrophobicContact CE1-SD 3.59Å; F939-M947 VanDerWaalsContact CE1-SD 3.59Å; F939-M947 HydrophobicContact CZ-SD 3.63Å; F939-L971 HydrophobicContact CB-CB 3.8Å; F939-L971 HydrophobicContact CB-CD2 3.56Å; F939-L971 HydrophobicContact CB-CG 4.2Å; F939-L971 HydrophobicContact CD1-CD2 3.84Å; F939-L971 HydrophobicContact CD2-CD2 4.39Å; F939-L971 HydrophobicContact CG-CD2 3.67Å; F939-G1986 PolarHBondContact N-O 2.89Å
940P91.2Very high87.2Confident1 Ų118.7 Ų18.71%0.0069%0.094CC..  trans-76.6151.5-167.528.1-32.5000112.1A938 A942 A943 Y944 F1056A938-P940 VanDerWaalsContact O-CD 3.28Å; A938-P940 WeakPolarHBondContact O-CD 3.45Å; P940-A942 PolarHBondContact O-N 3.47Å; P940-A943 HydrophobicContact CG-CB 3.61Å; P940-A943 WeakPolarHBondContact O-CB 3.25Å; P940-A943 PolarHBondContact O-N 3.3Å; P940-Y944 PolarHBondContact O-N 3.49Å; P940-F1056 HydrophobicContact CG-CE1 4.3Å; P940-F1056 HydrophobicContact CG-CZ 4.17Å
941G88.2Confident87.2Confident11 Ų1116.8 Ų16.811%0.1138%0.083CC..Hα-helixtrans-55.9-36.1173.700000112.5A943 Y944 C945 F967G941-A943 VanDerWaalsContact C-N 3.28Å; G941-A943 PolarHBondContact O-N 2.54Å; G941-Y944 PolarHBondContact O-N 3.25Å; G941-C945 PolarHBondContact O-N 3.19Å; G941-C945 VanDerWaalsContact O-N 3.11Å; G941-F967 WeakPolarHBondContact O-CZ 3.33Å
942A94.3Very high87.1Confident0 Ų016.3 Ų16.30%08%0.081CC..Hα-helixtrans-61.5-30.4174.200000113.8P940 C945 E946 P1093 L1096 D1097 F1100P940-A942 PolarHBondContact O-N 3.47Å; A942-C945 WeakPolarHBondContact O-CB 3.04Å; A942-C945 PolarHBondContact O-N 3.19Å; A942-E946 PolarHBondContact O-N 3.43Å; A942-P1093 WeakPolarHBondContact CB-O 3.38Å; A942-L1096 HydrophobicContact CB-CB 4.04Å; A942-L1096 HydrophobicContact CB-CD2 4.19Å; A942-L1096 HydrophobicContact CB-CG 4Å; A942-D1097 HydrophobicContact CB-CB 3.84Å; A942-F1100 HydrophobicContact CB-CD2 4.24Å; A942-F1100 HydrophobicContact CB-CE2 3.97Å; A942-F1100 HydrophobicContact CB-CZ 4.46Å
943A94.3Very high87.2Confident0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-72.9-36.9176.800000112.2L900 F939 P940 G941 C945 E946 M947 P1093L900-A943 HydrophobicContact CD1-CB 3.72Å; F939-A943 HydrophobicContact CD1-CB 4.04Å; F939-A943 HydrophobicContact CE1-CB 3.47Å; F939-A943 VanDerWaalsContact CE1-CB 3.47Å; F939-A943 HydrophobicContact CE2-CB 4.14Å; F939-A943 HydrophobicContact CZ-CB 3.54Å; P940-A943 HydrophobicContact CG-CB 3.61Å; P940-A943 WeakPolarHBondContact O-CB 3.25Å; P940-A943 PolarHBondContact O-N 3.3Å; G941-A943 VanDerWaalsContact C-N 3.28Å; G941-A943 PolarHBondContact O-N 2.54Å; A943-C945 VanDerWaalsContact C-N 3.35Å; A943-E946 PolarHBondContact O-N 3.09Å; A943-M947 WeakPolarHBondContact O-CB 3.3Å; A943-M947 VanDerWaalsContact O-CG 3.23Å; A943-M947 WeakPolarHBondContact O-CG 3.34Å; A943-M947 PolarHBondContact O-N 2.98Å; A943-P1093 HydrophobicContact CB-CB 4.01Å; A943-P1093 HydrophobicContact CB-CG 4.19Å
944Y94.4Very high87.9Confident7 Ų718.4 Ų18.43%0.0279%0.093CC..Hα-helixtrans-66-37.2170.7-63-54.9000112.1F939 P940 G941 M947 A948 F967 Q969 L971 V995 R1006 A1007F939-Y944 AromaticContact CD1-CD1 3.87Å; F939-Y944 HydrophobicContact CD1-CD1 3.87Å; F939-Y944 HydrophobicContact CD1-CD2 4.49Å; F939-Y944 AromaticContact CD1-CE1 3.57Å; F939-Y944 HydrophobicContact CD1-CE1 3.57Å; F939-Y944 HydrophobicContact CD1-CE2 4.26Å; F939-Y944 HydrophobicContact CD1-CG 4.34Å; F939-Y944 AromaticContact CD1-CZ 3.82Å; F939-Y944 AromaticContact CE1-CD1 3.73Å; F939-Y944 HydrophobicContact CE1-CD1 3.73Å; F939-Y944 AromaticContact CE1-CE1 3.81Å; F939-Y944 HydrophobicContact CE1-CE1 3.81Å; F939-Y944 HydrophobicContact CE1-CG 4.33Å; P940-Y944 PolarHBondContact O-N 3.49Å; G941-Y944 PolarHBondContact O-N 3.25Å; Y944-M947 HydrophobicContact CD1-SD 4.3Å; Y944-M947 PolarHBondContact O-N 2.75Å; Y944-A948 WeakPolarHBondContact O-CB 3.27Å; Y944-A948 PolarHBondContact O-N 3.43Å; Y944-F967 HydrophobicContact CD2-CB 4.4Å; Y944-F967 AromaticContact CD2-CD1 3.38Å; Y944-F967 HydrophobicContact CD2-CD1 3.38Å; Y944-F967 AromaticContact CD2-CE1 3.93Å; Y944-F967 HydrophobicContact CD2-CE1 3.93Å; Y944-F967 HydrophobicContact CD2-CG 4.06Å; Y944-F967 HydrophobicContact CE2-CB 4.42Å; Y944-F967 HydrophobicContact CE2-CD1 4.19Å; Y944-F967 AromaticContact CG-CD1 3.97Å; Y944-F967 HydrophobicContact CG-CD1 3.97Å; Y944-F967 HydrophobicContact CG-CE1 4.22Å; Y944-Q969 PolarHBondContact OH-O 3.38Å; Y944-L971 HydrophobicContact CE1-CD2 4.2Å; Y944-L971 WeakPolarHBondContact OH-CD2 3.23Å; Y944-V995 HydrophobicContact CD1-CB 4.46Å; Y944-V995 HydrophobicContact CD1-CG1 4.19Å; Y944-V995 HydrophobicContact CD1-CG2 4.29Å; Y944-V995 HydrophobicContact CE1-CB 4.41Å; Y944-V995 HydrophobicContact CE1-CG1 3.89Å; Y944-R1006 HydrophobicContact CE1-CB 4.47Å; Y944-A1007 HydrophobicContact CD1-CB 3.74Å; Y944-A1007 HydrophobicContact CD2-CB 4.11Å; Y944-A1007 HydrophobicContact CE1-CB 3.99Å; Y944-A1007 HydrophobicContact CE2-CB 4.31Å; Y944-A1007 HydrophobicContact CG-CB 3.79Å
945C94.9Very high88.8Confident0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-59.7-46.6172.8-79.60000112.1G941 A942 A943 A948 L949 L1096 L1126G941-C945 PolarHBondContact O-N 3.19Å; G941-C945 VanDerWaalsContact O-N 3.11Å; A942-C945 WeakPolarHBondContact O-CB 3.04Å; A942-C945 PolarHBondContact O-N 3.19Å; A943-C945 VanDerWaalsContact C-N 3.35Å; C945-A948 PolarHBondContact O-N 2.83Å; C945-L949 PolarHBondContact O-N 3.44Å; C945-L1096 HydrophobicContact CB-CD2 3.7Å; C945-L1126 HydrophobicContact CB-CD2 3.56Å
946E93.9Very high89.7Confident2 Ų214.7 Ų14.71%0.0098%0.078CC..Hα-helixtrans-67.6-40.9176.9177.854.1-154.200112H898 A942 A943 A948 L949 A950 Y1089 A1090 S1091 P1093H898-E946 IonicContact NE2-OE1 3.16Å; A942-E946 PolarHBondContact O-N 3.43Å; A943-E946 PolarHBondContact O-N 3.09Å; E946-A948 VanDerWaalsContact C-N 3.28Å; E946-A948 PolarHBondContact O-N 3.12Å; E946-L949 PolarHBondContact O-N 3.32Å; E946-A950 WeakPolarHBondContact O-CB 3.14Å; E946-A950 PolarHBondContact O-N 3.06Å; E946-Y1089 HydrophobicContact CG-CD1 3.92Å; E946-Y1089 WeakPolarHBondContact OE1-CA 3.47Å; E946-A1090 PolarHBondContact OE1-N 2.83Å; E946-S1091 PolarHBondContact OE2-N 2.79Å; E946-S1091 VanDerWaalsContact OE2-O 3.11Å; E946-P1093 HydrophobicContact CB-CG 4.04Å; E946-P1093 HydrophobicContact CG-CG 4.12Å
947M93.8Very high90.2Very high0 Ų015.2 Ų15.20%09%0.087CC..Hα-helixtrans-57-40.3170.9-74.9169.373.300112.2L900 L901 F939 A943 Y944 A951 V979 S981 F993 V995L900-M947 HydrophobicContact CB-CG 3.62Å; L900-M947 HydrophobicContact CB-SD 3.99Å; L900-M947 HydrophobicContact CD1-CG 4.41Å; L900-M947 WeakPolarHBondContact O-CE 3.41Å; L901-M947 HydrophobicContact CD2-CB 3.97Å; L901-M947 HydrophobicContact CD2-CE 3.91Å; L901-M947 HydrophobicContact CD2-CG 4.15Å; L901-M947 HydrophobicContact CG-CB 4.39Å; L901-M947 HydrophobicContact CG-CG 4.33Å; F939-M947 HydrophobicContact CE1-SD 3.59Å; F939-M947 VanDerWaalsContact CE1-SD 3.59Å; F939-M947 HydrophobicContact CZ-SD 3.63Å; A943-M947 WeakPolarHBondContact O-CB 3.3Å; A943-M947 VanDerWaalsContact O-CG 3.23Å; A943-M947 WeakPolarHBondContact O-CG 3.34Å; A943-M947 PolarHBondContact O-N 2.98Å; Y944-M947 HydrophobicContact CD1-SD 4.3Å; Y944-M947 PolarHBondContact O-N 2.75Å; M947-A951 VanDerWaalsContact O-CB 3.27Å; M947-A951 WeakPolarHBondContact O-CB 3.43Å; M947-A951 PolarHBondContact O-N 2.88Å; M947-V979 HydrophobicContact CE-CG2 4.22Å; M947-S981 WeakPolarHBondContact CE-OG 3.49Å; M947-F993 HydrophobicContact CB-CZ 4.43Å; M947-V995 HydrophobicContact CE-CG1 3.86Å; M947-V995 HydrophobicContact CE-CG2 3.97Å
948A93.9Very high90.3Very high1 Ų120.6 Ų20.61%0.00811%0.111CC..Hα-helixtrans-73.7-35.6178.200000112.7Y944 C945 E946 A952 V962 F993 A1009 L1011Y944-A948 WeakPolarHBondContact O-CB 3.27Å; Y944-A948 PolarHBondContact O-N 3.43Å; C945-A948 PolarHBondContact O-N 2.83Å; E946-A948 VanDerWaalsContact C-N 3.28Å; E946-A948 PolarHBondContact O-N 3.12Å; A948-A952 WeakPolarHBondContact O-CB 3.39Å; A948-A952 PolarHBondContact O-N 3.2Å; A948-V962 HydrophobicContact CB-CG1 3.77Å; A948-V962 HydrophobicContact CB-CG2 4.06Å; A948-V962 WeakPolarHBondContact O-CG2 3.21Å; A948-F993 HydrophobicContact CB-CD1 4.09Å; A948-F993 HydrophobicContact CB-CE1 3.99Å; A948-A1009 HydrophobicContact CB-CB 4.37Å; A948-L1011 HydrophobicContact CB-CD2 4.45Å
949L92.4Very high90.5Very high14 Ų1424.6 Ų24.67%0.07313%0.132CC..Hα-helixtrans-63.5-47171-82.4171.9000111.5C945 E946 A951 A952 R953 V962 L1126 N1128 L1166C945-L949 PolarHBondContact O-N 3.44Å; E946-L949 PolarHBondContact O-N 3.32Å; L949-A951 PolarHBondContact O-N 3.34Å; L949-A952 PolarHBondContact O-N 3.37Å; L949-R953 PolarHBondContact O-N 3.25Å; L949-V962 HydrophobicContact CD2-CG2 4.16Å; L949-V962 HydrophobicContact CG-CG2 4.36Å; L949-L1126 HydrophobicContact CD1-CD1 4.5Å; L949-L1126 HydrophobicContact CD1-CD2 3.66Å; L949-L1126 HydrophobicContact CD1-CG 3.92Å; L949-L1126 HydrophobicContact CD2-CD2 4.33Å; L949-L1126 HydrophobicContact CD2-CG 4.13Å; L949-L1126 HydrophobicContact CG-CD2 3.69Å; L949-L1126 HydrophobicContact CG-CG 4.02Å; L949-N1128 HydrophobicContact CD2-CB 4.32Å; L949-L1166 HydrophobicContact CD1-CD1 4.31Å
950A90.5Very high90.5Very high12 Ų1224.7 Ų24.710%0.09913%0.134CC..Hα-helixtrans-61.1-43.7176.200000111.3H898 L901 E946 R953 T954H898-A950 HydrophobicContact CB-CB 4.15Å; L901-A950 HydrophobicContact CD1-CB 3.75Å; E946-A950 WeakPolarHBondContact O-CB 3.14Å; E946-A950 PolarHBondContact O-N 3.06Å; A950-R953 PolarHBondContact O-N 2.71Å; A950-T954 VanDerWaalsContact O-CB 3.26Å; A950-T954 WeakPolarHBondContact O-CB 3.49Å; A950-T954 PolarHBondContact O-N 2.91Å; A950-T954 PolarHBondContact O-OG1 3.05Å
951A91.7Very high90.6Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-63.5-42.9174.900000112.4L901 W916 M947 L949 T954 T955 F993 L1011L901-A951 HydrophobicContact CD1-CB 4.33Å; W916-A951 HydrophobicContact CH2-CB 3.86Å; W916-A951 HydrophobicContact CZ2-CB 4.06Å; W916-A951 HydrophobicContact CZ3-CB 4.37Å; M947-A951 VanDerWaalsContact O-CB 3.27Å; M947-A951 WeakPolarHBondContact O-CB 3.43Å; M947-A951 PolarHBondContact O-N 2.88Å; L949-A951 PolarHBondContact O-N 3.34Å; A951-T954 PolarHBondContact O-N 3.17Å; A951-T955 WeakPolarHBondContact O-CB 3.39Å; A951-T955 WeakPolarHBondContact O-CG2 3.07Å; A951-T955 PolarHBondContact O-N 2.77Å; A951-T955 PolarHBondContact O-OG1 3Å; A951-F993 HydrophobicContact CB-CD2 3.82Å; A951-F993 HydrophobicContact CB-CE2 3.4Å; A951-F993 VanDerWaalsContact CB-CE2 3.4Å; A951-F993 HydrophobicContact CB-CZ 3.97Å; A951-L1011 HydrophobicContact CB-CD1 4.04Å
952A90.7Very high91Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-60.7-50.7175.400000111.5A948 L949 T954 T955 L956 V962 L1011A948-A952 WeakPolarHBondContact O-CB 3.39Å; A948-A952 PolarHBondContact O-N 3.2Å; L949-A952 PolarHBondContact O-N 3.37Å; A952-T954 PolarHBondContact O-N 3Å; A952-T955 PolarHBondContact O-N 3.14Å; A952-L956 WeakPolarHBondContact O-CA 3.33Å; A952-L956 WeakPolarHBondContact O-CB 3.2Å; A952-L956 PolarHBondContact O-N 3.28Å; A952-V962 HydrophobicContact CB-CG2 4.11Å; A952-L1011 HydrophobicContact CB-CB 4.27Å; A952-L1011 HydrophobicContact CB-CD2 4.24Å
953R87.3Confident91.1Very high114 Ų11428.5 Ų28.543%0.4315%0.145SC..Hα-helixtrans-63.2-28.5177.9-168.4175176.1-1524.8113L949 A950 G957 E958L949-R953 PolarHBondContact O-N 3.25Å; A950-R953 PolarHBondContact O-N 2.71Å; R953-G957 WeakPolarHBondContact CA-O 3.46Å; R953-G957 WeakPolarHBondContact O-CA 3.09Å; R953-G957 PolarHBondContact O-N 3.46Å; R953-E958 HydrophobicContact CG-CG 4.48Å; R953-E958 IonicContact CZ-OE1 3.35Å; R953-E958 IonicContact NE-OE1 3.55Å; R953-E958 PolarHBondContact NE-OE1 2.9Å; R953-E958 IonicContact NH2-OE1 2.68Å; R953-E958 PolarHBondContact NH2-OE1 2.87Å
954T84.6Confident91Very high47 Ų4732.1 Ų32.129%0.28816%0.164SC..Hα-helixtrans-78.6-31177.2-57.10000113.1V897 W916 A950 A951 A952V897-T954 HydrophobicContact CG1-CG2 4.29Å; W916-T954 HydrophobicContact CZ2-CG2 4.2Å; A950-T954 VanDerWaalsContact O-CB 3.26Å; A950-T954 WeakPolarHBondContact O-CB 3.49Å; A950-T954 PolarHBondContact O-N 2.91Å; A950-T954 PolarHBondContact O-OG1 3.05Å; A951-T954 PolarHBondContact O-N 3.17Å; A952-T954 PolarHBondContact O-N 3Å
955T87.6Confident91.1Very high25 Ų2532.1 Ų32.115%0.15317%0.165CC..Hα-helixtrans-105.2-25.1-17455.10000114.5H914 W916 A951 A952 L991H914-T955 HydrophobicContact CB-CG2 4.09Å; H914-T955 WeakPolarHBondContact CD2-CG2 3.3Å; W916-T955 HydrophobicContact CH2-CG2 3.62Å; W916-T955 HydrophobicContact CZ2-CG2 3.93Å; A951-T955 WeakPolarHBondContact O-CB 3.39Å; A951-T955 WeakPolarHBondContact O-CG2 3.07Å; A951-T955 PolarHBondContact O-N 2.77Å; A951-T955 PolarHBondContact O-OG1 3Å; A952-T955 PolarHBondContact O-N 3.14Å; T955-L991 HydrophobicContact CG2-CD2 4.29Å
956L88.9Confident90.9Very high40 Ų4037.5 Ų37.521%0.20919%0.188CC..Hα-helixtrans-128.30.5-173-63.2174.7000113.3A952 L991 L1011 A1013A952-L956 WeakPolarHBondContact O-CA 3.33Å; A952-L956 WeakPolarHBondContact O-CB 3.2Å; A952-L956 PolarHBondContact O-N 3.28Å; L956-L991 HydrophobicContact CD1-CD1 3.92Å; L956-L991 HydrophobicContact CD2-CD1 3.52Å; L956-L991 HydrophobicContact CG-CD1 3.85Å; L956-L1011 HydrophobicContact CD1-CB 3.81Å; L956-A1013 HydrophobicContact CB-CB 4.45Å; L956-A1013 HydrophobicContact CD2-CB 4.31Å
957G85.1Confident90.7Very high33 Ų3338.6 Ų38.634%0.3419%0.193SC..  trans77.1-170.5-18000000114R953 S960R953-G957 WeakPolarHBondContact CA-O 3.46Å; R953-G957 WeakPolarHBondContact O-CA 3.09Å; R953-G957 PolarHBondContact O-N 3.46Å; G957-S960 WeakPolarHBondContact O-CB 3.21Å; G957-S960 PolarHBondContact O-OG 3.41Å
958E81.8Confident90.1Very high117 Ų11742.7 Ų42.755%0.54721%0.212SC..SBendtrans-75.8-28.5-167.8-44.2-148.6129.100113.1R953 S960 M1017R953-E958 HydrophobicContact CG-CG 4.48Å; R953-E958 IonicContact CZ-OE1 3.35Å; R953-E958 IonicContact NE-OE1 3.55Å; R953-E958 PolarHBondContact NE-OE1 2.9Å; R953-E958 IonicContact NH2-OE1 2.68Å; R953-E958 PolarHBondContact NH2-OE1 2.87Å; E958-S960 PolarHBondContact O-N 3.19Å; E958-M1017 WeakPolarHBondContact O-CE 3.23Å
959L89Confident89.2Confident84 Ų8447.6 Ų47.644%0.4424%0.235SC..SBendtrans-8164.3170-62.5175.6000110.1L1014 M1017L959-L1014 HydrophobicContact CB-CB 4.42Å; L959-L1014 WeakPolarHBondContact CB-O 3.29Å; L959-L1014 PolarHBondContact O-N 3.43Å; L959-M1017 HydrophobicContact CD2-CB 3.88Å
960S91.6Very high88.6Confident10 Ų1050 Ų507%0.0725%0.25CS..EExtended strand (participates in β ladder)trans-134.5157.8177.261.70000112.9G957 E958 H1012 M1017G957-S960 WeakPolarHBondContact O-CB 3.21Å; G957-S960 PolarHBondContact O-OG 3.41Å; E958-S960 PolarHBondContact O-N 3.19Å; S960-H1012 CarbonylContact C-O 3.56Å; S960-H1012 VanDerWaalsContact CA-O 3.22Å; S960-H1012 WeakPolarHBondContact CA-O 3.25Å; S960-H1012 WeakPolarHBondContact CB-O 3.2Å; S960-M1017 WeakPolarHBondContact O-CE 3.2Å
961E93.7Very high88.3Confident0 Ų049.5 Ų49.50%025%0.246CC..EExtended strand (participates in β ladder)trans-138.1157.6174.165.5179.5-155.400110.8R963 H1012 L1014 R1125 R1127E961-R963 IonicContact OE1-CZ 3.15Å; E961-R963 IonicContact OE1-NE 2.81Å; E961-R963 PolarHBondContact OE1-NE 3.26Å; E961-R963 IonicContact OE1-NH2 2.7Å; E961-R963 PolarHBondContact OE1-NH2 2.91Å; E961-H1012 HydrophobicContact CG-CB 3.94Å; E961-H1012 PolarHBondContact N-O 3.46Å; E961-H1012 PolarHBondContact O-N 2.9Å; E961-L1014 HydrophobicContact CB-CD1 4.1Å; E961-L1014 HydrophobicContact CG-CD1 4.08Å; E961-L1014 HydrophobicContact CG-CD2 4.14Å; E961-L1014 HydrophobicContact CG-CG 4.18Å; E961-R1125 IonicContact OE1-CZ 3.89Å; E961-R1125 IonicContact OE1-NE 3.63Å; E961-R1125 PolarHBondContact OE1-NE 2.79Å; E961-R1125 IonicContact OE1-NH1 2.66Å; E961-R1125 PolarHBondContact OE1-NH1 3.43Å; E961-R1125 IonicContact OE2-CZ 3.19Å; E961-R1125 VanDerWaalsContact OE2-CZ 3.24Å; E961-R1125 IonicContact OE2-NE 2.64Å; E961-R1125 PolarHBondContact OE2-NE 3.29Å; E961-R1125 IonicContact OE2-NH1 3.67Å; E961-R1125 PolarHBondContact OE2-NH1 2.74Å; E961-R1127 HydrophobicContact CB-CG 3.91Å; E961-R1127 IonicContact OE2-CZ 2.9Å; E961-R1127 IonicContact OE2-NE 3.32Å; E961-R1127 PolarHBondContact OE2-NE 2.96Å; E961-R1127 IonicContact OE2-NH2 3.57Å; E961-R1127 PolarHBondContact OE2-NH2 3.27Å
962V96.6Very high88Confident0 Ų053.3 Ų53.30%027%0.266CS..EExtended strand (participates in β ladder)trans-106137.2173.9-167.60000109.2A948 L949 A952 I965 A1009 L1011 R1125 L1126A948-V962 HydrophobicContact CB-CG1 3.77Å; A948-V962 HydrophobicContact CB-CG2 4.06Å; A948-V962 WeakPolarHBondContact O-CG2 3.21Å; L949-V962 HydrophobicContact CD2-CG2 4.16Å; L949-V962 HydrophobicContact CG-CG2 4.36Å; A952-V962 HydrophobicContact CB-CG2 4.11Å; V962-I965 HydrophobicContact CB-CD1 4.05Å; V962-I965 HydrophobicContact CB-CG1 4.37Å; V962-I965 HydrophobicContact CG1-CD1 3.56Å; V962-I965 HydrophobicContact CG1-CG1 3.49Å; V962-I965 VanDerWaalsContact CG1-CG1 3.49Å; V962-A1009 HydrophobicContact CG1-CB 3.7Å; V962-L1011 HydrophobicContact CG1-CD2 4.2Å; V962-L1011 HydrophobicContact CG2-CD2 4.41Å; V962-R1125 CarbonylContact O-C 3.37Å; V962-R1125 VanDerWaalsContact O-CA 3.32Å; V962-R1125 WeakPolarHBondContact O-CA 3.46Å; V962-L1126 HydrophobicContact CB-CB 4.32Å; V962-L1126 PolarHBondContact N-O 2.75Å; V962-L1126 VanDerWaalsContact N-O 3.09Å; V962-L1126 PolarHBondContact O-N 3.5Å
963R96.4Very high87.7Confident92 Ų9254.2 Ų54.235%0.34727%0.27SS..EExtended strand (participates in β ladder)trans-125.1158.4176.6-60.8-169.6-175.1174.43.7111.9E961 I965 M1010 R1124 R1125E961-R963 IonicContact OE1-CZ 3.15Å; E961-R963 IonicContact OE1-NE 2.81Å; E961-R963 PolarHBondContact OE1-NE 3.26Å; E961-R963 IonicContact OE1-NH2 2.7Å; E961-R963 PolarHBondContact OE1-NH2 2.91Å; R963-I965 PolarHBondContact O-N 2.97Å; R963-I965 VanDerWaalsContact O-N 3.1Å; R963-M1010 HydrophobicContact CB-CB 4.39Å; R963-M1010 PolarHBondContact N-O 2.9Å; R963-M1010 PolarHBondContact O-N 3.17Å; R963-R1124 WeakPolarHBondContact CA-O 3.26Å; R963-R1125 HydrophobicContact CG-CG 4.49Å
964D92.1Very high87.3Confident77 Ų7753.5 Ų53.541%0.41228%0.275SS..EExtended strand (participates in β ladder)trans48.740.4170.1-69.4-51.3000114.4K966 R1124D964-K966 PolarHBondContact O-N 3.22Å; D964-R1124 PolarHBondContact N-O 3.25Å
965I96.2Very high86.7Confident6 Ų658.4 Ų58.43%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-63.8129.7175.9-48-177000108.5V962 R963 F967 S1008 A1009 G1122 V1123 L1126V962-I965 HydrophobicContact CB-CD1 4.05Å; V962-I965 HydrophobicContact CB-CG1 4.37Å; V962-I965 HydrophobicContact CG1-CD1 3.56Å; V962-I965 HydrophobicContact CG1-CG1 3.49Å; V962-I965 VanDerWaalsContact CG1-CG1 3.49Å; R963-I965 PolarHBondContact O-N 2.97Å; R963-I965 VanDerWaalsContact O-N 3.1Å; I965-F967 HydrophobicContact CG2-CD1 4.15Å; I965-F967 HydrophobicContact CG2-CE1 3.36Å; I965-F967 HydrophobicContact CG2-CZ 3.82Å; I965-S1008 CarbonylContact C-O 3.51Å; I965-S1008 WeakPolarHBondContact CA-O 3.32Å; I965-A1009 HydrophobicContact CB-CB 4.36Å; I965-A1009 HydrophobicContact CG1-CB 3.99Å; I965-A1009 HydrophobicContact CG2-CB 4.44Å; I965-G1122 CarbonylContact O-C 3.54Å; I965-G1122 WeakPolarHBondContact O-CA 3.39Å; I965-V1123 HydrophobicContact CB-CB 4.13Å; I965-V1123 WeakPolarHBondContact CB-O 3.37Å; I965-V1123 HydrophobicContact CD1-CB 4.12Å; I965-V1123 HydrophobicContact CD1-CG1 4.27Å; I965-V1123 HydrophobicContact CG1-CB 4.35Å; I965-V1123 PolarHBondContact N-O 3.09Å; I965-V1123 PolarHBondContact O-N 3.46Å; I965-L1126 HydrophobicContact CD1-CB 4.17Å; I965-L1126 HydrophobicContact CD1-CD2 4.05Å
966K90.9Very high86.3Confident113 Ų11365.9 Ų65.949%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-129.5132.6178.1-66.3162.6-166.1163.10109.1D964 E968 A1007 S1008D964-K966 PolarHBondContact O-N 3.22Å; K966-E968 HydrophobicContact CB-CG 4.43Å; K966-A1007 CarbonylContact O-C 3.57Å; K966-A1007 WeakPolarHBondContact O-CA 3.23Å; K966-A1007 WeakPolarHBondContact O-CB 3.5Å; K966-S1008 PolarHBondContact N-O 3.17Å; K966-S1008 PolarHBondContact O-N 3.3Å
967F89.6Confident86Confident25 Ų2565.1 Ų65.111%0.1133%0.325CS..EExtended strand (participates in β ladder)trans-100.595.5172.1-44.7-50.4000106.8G941 Y944 I965 R1006 A1007 P1120 V1121G941-F967 WeakPolarHBondContact O-CZ 3.33Å; Y944-F967 HydrophobicContact CD2-CB 4.4Å; Y944-F967 AromaticContact CD2-CD1 3.38Å; Y944-F967 HydrophobicContact CD2-CD1 3.38Å; Y944-F967 AromaticContact CD2-CE1 3.93Å; Y944-F967 HydrophobicContact CD2-CE1 3.93Å; Y944-F967 HydrophobicContact CD2-CG 4.06Å; Y944-F967 HydrophobicContact CE2-CB 4.42Å; Y944-F967 HydrophobicContact CE2-CD1 4.19Å; Y944-F967 AromaticContact CG-CD1 3.97Å; Y944-F967 HydrophobicContact CG-CD1 3.97Å; Y944-F967 HydrophobicContact CG-CE1 4.22Å; I965-F967 HydrophobicContact CG2-CD1 4.15Å; I965-F967 HydrophobicContact CG2-CE1 3.36Å; I965-F967 HydrophobicContact CG2-CZ 3.82Å; F967-R1006 CarbonylContact C-O 3.51Å; F967-A1007 HydrophobicContact CD1-CB 4.27Å; F967-P1120 HydrophobicContact CD2-CB 3.84Å; F967-P1120 WeakPolarHBondContact CD2-O 3.49Å; F967-P1120 HydrophobicContact CE2-CB 3.59Å; F967-V1121 VanDerWaalsContact CD2-C 3.43Å; F967-V1121 PolarHBondContact N-O 3.07Å
968E80.7Confident86Confident87 Ų8766.1 Ų66.141%0.40732%0.324SS..  trans-74.8-36.5-168.5-64.6-178.8-153.100112.2K966 R1005 R1006 S1008K966-E968 HydrophobicContact CB-CG 4.43Å; E968-R1005 WeakPolarHBondContact OE1-CD 3.48Å; E968-R1005 VanDerWaalsContact OE2-CD 3.31Å; E968-R1005 WeakPolarHBondContact OE2-CD 2.94Å; E968-R1005 WeakPolarHBondContact OE2-CG 3.42Å; E968-R1006 PolarHBondContact N-O 3.13Å; E968-S1008 WeakPolarHBondContact OE1-CB 3.45Å; E968-S1008 PolarHBondContact OE1-OG 2.92Å
969Q75.7Confident86.3Confident104 Ų10460.5 Ų60.549%0.48630%0.298SS..SBendtrans-146.6141.7173.1-67.2-167.3-6.300111.9Y944 R1006Y944-Q969 PolarHBondContact OH-O 3.38Å; Q969-R1006 PolarHBondContact N-O 3.15Å; Q969-R1006 VanDerWaalsContact N-O 3.17Å; Q969-R1006 VanDerWaalsContact OE1-NH1 3.14Å
970T79.5Confident86.4Confident65 Ų6556.8 Ų56.840%0.39928%0.279SS..  trans-61.4141.2162.3-40.30000109.7R1006T970-R1006 PolarHBondContact O-NH1 2.65Å
971L85.3Confident86.3Confident0 Ų056.5 Ų56.50%028%0.277CS..  trans-91.9140.9-172.3-142.141.6000108.3F939 Y944 V979 R1006 G1986 Q1987F939-L971 HydrophobicContact CB-CB 3.8Å; F939-L971 HydrophobicContact CB-CD2 3.56Å; F939-L971 HydrophobicContact CB-CG 4.2Å; F939-L971 HydrophobicContact CD1-CD2 3.84Å; F939-L971 HydrophobicContact CD2-CD2 4.39Å; F939-L971 HydrophobicContact CG-CD2 3.67Å; Y944-L971 HydrophobicContact CE1-CD2 4.2Å; Y944-L971 WeakPolarHBondContact OH-CD2 3.23Å; L971-V979 HydrophobicContact CD2-CG1 4.06Å; L971-R1006 HydrophobicContact CD1-CB 3.89Å; L971-R1006 HydrophobicContact CD1-CG 3.32Å; L971-G1986 CarbonylContact C-O 3.58Å; L971-G1986 CarbonylContact O-C 3.19Å; L971-G1986 WeakPolarHBondContact O-CA 3.44Å; L971-Q1987 CarbonylContact C-O 3.53Å; L971-Q1987 WeakPolarHBondContact CD1-O 3.38Å; L971-Q1987 WeakPolarHBondContact CG-O 3.49Å; L971-Q1987 PolarHBondContact O-N 3.23Å
972L83.7Confident86.3Confident80 Ų8056.9 Ų56.942%0.41928%0.281SS..  trans-111.9133.3175-60.3-166.8000121.2V936 G1986 Q1987V936-L972 HydrophobicContact CG1-CD2 3.54Å; L972-G1986 VanDerWaalsContact CD2-CA 3.47Å; L972-G1986 VanDerWaalsContact N-C 3.31Å; L972-Q1987 CarbonylContact C-O 3.57Å; L972-Q1987 WeakPolarHBondContact CA-O 3.36Å; L972-Q1987 PolarHBondContact N-O 3.3Å; L972-Q1987 CarbonylContact O-C 3.42Å; L972-Q1987 WeakPolarHBondContact O-CA 3.43Å; L972-Q1987 VanDerWaalsContact O-CB 3.25Å; L972-Q1987 WeakPolarHBondContact O-CB 3.34Å; L972-Q1987 PolarHBondContact O-N 3.39Å
973L85.5Confident86.1Confident19 Ų1956.9 Ų56.910%0.09928%0.281CS..  trans-119.5150.1-136.6-69.3-170000111.5T922 A937 G1986 Q1987T922-L973 HydrophobicContact CG2-CD1 3.59Å; A937-L973 HydrophobicContact CB-CD1 3.33Å; A937-L973 HydrophobicContact CB-CG 4.35Å; A937-L973 WeakPolarHBondContact O-CG 3.47Å; L973-G1986 WeakPolarHBondContact CD2-O 3.37Å; L973-G1986 WeakPolarHBondContact CG-O 3.47Å; L973-Q1987 VanDerWaalsContact CA-N 3.35Å; L973-Q1987 HydrophobicContact CB-CB 4.25Å; L973-Q1987 HydrophobicContact CB-CG 4.29Å; L973-Q1987 HydrophobicContact CD2-CB 4.2Å; L973-Q1987 HydrophobicContact CD2-CG 3.49Å; L973-Q1987 VanDerWaalsContact CD2-CG 3.49Å; L973-Q1987 HydrophobicContact CG-CG 4.27Å; L973-Q1987 VanDerWaalsContact N-N 3.13Å
974D78.8Confident85.8Confident100 Ų10054.3 Ų54.354%0.53528%0.275SS..  trans-142.8-159.7166.1-43.7-79.5000111.5T922 T977 Q1987T922-D974 PolarHBondContact N-O 3.06Å; T922-D974 PolarHBondContact OG1-O 2.96Å; D974-T977 PolarHBondContact N-OG1 3.28Å; D974-T977 PolarHBondContact OD2-OG1 3.33Å; D974-Q1987 PolarHBondContact O-OE1 3.01Å
975E72.8Confident85.5Confident150 Ų15053 Ų5370%0.70127%0.268SS*.SBendtrans-78.1-45.9165.4-65.3-178.3166.500111.5G921 T922 G923G921-E975 CarbonylContact C-O 3.56Å; G921-E975 VanDerWaalsContact CA-O 3.29Å; G921-E975 WeakPolarHBondContact CA-O 3.48Å; T922-E975 PolarHBondContact N-O 3.48Å; T922-E975 WeakPolarHBondContact OG1-CA 3.48Å; G923-E975 PolarHBondContact N-O 3.45Å
976Q77.6Confident84.8Confident181 Ų18155.9 Ų55.985%0.84629%0.292SS*.SBendtrans-11096.7178-70.6-170.511.800110.8
977T83.2Confident84.5Confident24 Ų2452.3 Ų52.315%0.14728%0.284CS..  trans-144.7151.3163.5-6.80000106.9V920 G921 D974 Q1987 N1988V920-T977 PolarHBondContact N-O 3.08Å; G921-T977 VanDerWaalsContact CA-O 3.31Å; G921-T977 WeakPolarHBondContact CA-O 3.44Å; G921-T977 PolarHBondContact N-O 2.99Å; D974-T977 PolarHBondContact N-OG1 3.28Å; D974-T977 PolarHBondContact OD2-OG1 3.33Å; T977-Q1987 VanDerWaalsContact CB-CB 3.48Å; T977-Q1987 HydrophobicContact CG2-CB 3.96Å; T977-Q1987 WeakPolarHBondContact OG1-CB 3.42Å; T977-Q1987 PolarHBondContact OG1-OE1 2.73Å; T977-N1988 HydrophobicContact CG2-CB 3.57Å; T977-N1988 PolarHBondContact O-ND2 2.95Å
978V85.1Confident84.1Confident54 Ų5457.4 Ų57.433%0.32732%0.32SS..EExtended strand (participates in β ladder)trans-134.3132.1-163.2-89.50000110.6A918 N1988 Q1989A918-V978 CarbonylContact O-C 3.55Å; A918-V978 WeakPolarHBondContact O-CA 3.5Å; A918-V978 WeakPolarHBondContact O-CB 3.43Å; A918-V978 WeakPolarHBondContact O-CG1 3.41Å; V978-N1988 WeakPolarHBondContact CA-ND2 3.49Å; V978-N1988 VanDerWaalsContact N-CB 3.26Å; V978-N1988 PolarHBondContact N-ND2 2.9Å; V978-N1988 CarbonylContact O-C 3.54Å; V978-N1988 WeakPolarHBondContact O-CB 3.35Å; V978-Q1989 HydrophobicContact CB-CB 4.36Å; V978-Q1989 HydrophobicContact CB-CG 3.71Å; V978-Q1989 VanDerWaalsContact CB-NE2 3.33Å; V978-Q1989 HydrophobicContact CG2-CB 3.92Å; V978-Q1989 HydrophobicContact CG2-CG 3.62Å; V978-Q1989 VanDerWaalsContact CG2-NE2 3.31Å; V978-Q1989 WeakPolarHBondContact O-CA 3.32Å; V978-Q1989 WeakPolarHBondContact O-CB 3.33Å; V978-Q1989 WeakPolarHBondContact O-CG 3.45Å; V978-Q1989 PolarHBondContact O-N 3.41Å
979V88.4Confident84.3Confident0 Ų054.8 Ų54.80%032%0.315CS..EExtended strand (participates in β ladder)trans-90.9172.2-179.4-81.60000114L900 Q917 A918 V920 M947 L971 N1988 Q1989L900-V979 WeakPolarHBondContact O-CG2 3Å; Q917-V979 WeakPolarHBondContact CA-O 3.33Å; A918-V979 HydrophobicContact CB-CG2 3.57Å; A918-V979 PolarHBondContact N-O 2.86Å; A918-V979 PolarHBondContact O-N 2.97Å; V920-V979 HydrophobicContact CB-CG2 4.28Å; V920-V979 HydrophobicContact CG1-CG2 3.65Å; V920-V979 HydrophobicContact CG2-CB 4.07Å; V920-V979 HydrophobicContact CG2-CG1 3.48Å; V920-V979 VanDerWaalsContact CG2-CG1 3.48Å; V920-V979 HydrophobicContact CG2-CG2 3.62Å; M947-V979 HydrophobicContact CE-CG2 4.22Å; L971-V979 HydrophobicContact CD2-CG1 4.06Å; V979-N1988 HydrophobicContact CG1-CB 4.36Å; V979-N1988 VanDerWaalsContact CG1-OD1 3.31Å; V979-N1988 WeakPolarHBondContact CG1-OD1 3.45Å; V979-N1988 PolarHBondContact N-ND2 3.42Å; V979-Q1989 WeakPolarHBondContact O-CG 3.42Å
980S90.1Very high85.1Confident5 Ų552.3 Ų52.34%0.03531%0.305CS..EExtended strand (participates in β ladder)trans-129.2165.8168.177.80000113.3W916 V995 E996 Q1989W916-S980 CarbonylContact O-C 3.56Å; W916-S980 VanDerWaalsContact O-CA 3.3Å; W916-S980 WeakPolarHBondContact O-CA 3.45Å; S980-V995 WeakPolarHBondContact O-CG1 3.31Å; S980-E996 VanDerWaalsContact OG-C 3.29Å; S980-E996 WeakPolarHBondContact OG-CA 3.49Å; S980-E996 PolarHBondContact OG-N 3.38Å; S980-E996 VanDerWaalsContact OG-N 3.12Å; S980-E996 PolarHBondContact OG-O 2.83Å; S980-Q1989 PolarHBondContact OG-O 2.79Å
981S91.3Very high85.7Confident4 Ų449.4 Ų49.43%0.02829%0.287CS..EExtended strand (participates in β ladder)trans-148.7163.6154.5-53.30000111.8L901 V915 W916 M947 F993 A994L901-S981 WeakPolarHBondContact CD2-OG 3.36Å; V915-S981 CarbonylContact C-O 3.51Å; V915-S981 WeakPolarHBondContact CA-O 3.27Å; W916-S981 PolarHBondContact N-O 3.45Å; W916-S981 PolarHBondContact O-N 2.73Å; M947-S981 WeakPolarHBondContact CE-OG 3.49Å; S981-F993 VanDerWaalsContact CB-CE2 3.41Å; S981-F993 WeakPolarHBondContact OG-CZ 3.49Å; S981-A994 CarbonylContact C-O 3.51Å; S981-A994 WeakPolarHBondContact CA-O 3.41Å; S981-A994 WeakPolarHBondContact CB-O 3.27Å
982A92Very high86.1Confident9 Ų954.1 Ų54.17%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-141.6141.7167.700000110.5H914 V915 F993 A994H914-A982 CarbonylContact O-C 3.59Å; H914-A982 VanDerWaalsContact O-CA 3.25Å; H914-A982 WeakPolarHBondContact O-CA 3.3Å; V915-A982 HydrophobicContact CG1-CB 3.96Å; A982-F993 CarbonylContact O-C 3.58Å; A982-F993 VanDerWaalsContact O-CA 3.26Å; A982-F993 WeakPolarHBondContact O-CA 3.43Å; A982-A994 PolarHBondContact N-O 3.15Å; A982-A994 PolarHBondContact O-N 3.37Å
983A92.8Very high86.7Confident0 Ų050.5 Ų50.50%029%0.29CS..EExtended strand (participates in β ladder)trans-124.2112.1171.600000108.5R913 H914 W916 L991 Q992 F993 L1011R913-A983 CarbonylContact C-O 3.58Å; R913-A983 WeakPolarHBondContact CA-O 3.35Å; H914-A983 HydrophobicContact CB-CB 4.39Å; H914-A983 PolarHBondContact N-O 2.94Å; H914-A983 PolarHBondContact O-N 3.07Å; W916-A983 HydrophobicContact CH2-CB 3.8Å; W916-A983 HydrophobicContact CZ3-CB 3.62Å; A983-L991 HydrophobicContact CB-CB 4.23Å; A983-L991 HydrophobicContact CB-CD2 3.68Å; A983-Q992 WeakPolarHBondContact CA-O 3.3Å; A983-F993 HydrophobicContact CB-CD2 4.15Å; A983-L1011 HydrophobicContact CB-CD1 3.98Å
984T90.6Very high87Confident38 Ų3850 Ų5023%0.23329%0.288CS..EExtended strand (participates in β ladder)trans-106.3134.4-178.9-50.20000109.8P911 E912 R913 A986 L991 Q992P911-T984 HydrophobicContact CB-CG2 3.86Å; P911-T984 HydrophobicContact CG-CG2 3.51Å; E912-T984 CarbonylContact O-C 3.6Å; E912-T984 WeakPolarHBondContact O-CA 3.18Å; R913-T984 HydrophobicContact CB-CG2 4.46Å; T984-A986 PolarHBondContact O-N 3.25Å; T984-L991 CarbonylContact O-C 3.6Å; T984-L991 VanDerWaalsContact O-CA 3.3Å; T984-L991 WeakPolarHBondContact O-CA 3.46Å; T984-Q992 PolarHBondContact N-O 3.12Å; T984-Q992 PolarHBondContact O-N 3.01Å
985I86.1Confident87.7Confident49 Ų4945.2 Ų45.225%0.25126%0.263SS..EExtended strand (participates in β ladder)trans-63.9119.9176.1-61.4-163.6000109.8P911 E912 L991P911-I985 VanDerWaalsContact CB-O 3.31Å; P911-I985 WeakPolarHBondContact CB-O 3.43Å; E912-I985 HydrophobicContact CB-CB 4.35Å; E912-I985 HydrophobicContact CB-CD1 3.8Å; E912-I985 HydrophobicContact CB-CG1 3.95Å; E912-I985 VanDerWaalsContact CD-CD1 3.48Å; E912-I985 HydrophobicContact CG-CD1 3.9Å; E912-I985 HydrophobicContact CG-CG1 4.27Å; E912-I985 PolarHBondContact O-N 3.04Å; I985-L991 HydrophobicContact CG1-CD1 4.37Å; I985-L991 HydrophobicContact CG1-CD2 4.17Å; I985-L991 HydrophobicContact CG1-CG 3.98Å
986A81.8Confident88.4Confident67 Ų6739.9 Ų39.955%0.55424%0.238SC*.EExtended strand (participates in β ladder)trans-99.7-32175.200000111.7T984 I990 M1010T984-A986 PolarHBondContact O-N 3.25Å; A986-I990 PolarHBondContact N-O 2.69Å; A986-M1010 HydrophobicContact CB-CE 4.42Å
987A83Confident88.7Confident38 Ų3831.2 Ų31.231%0.31420%0.198SC..EExtended strand (participates in β ladder)trans-159.4166.5171.800000109.3G989 I990A987-G989 PolarHBondContact O-N 2.9Å; A987-I990 HydrophobicContact CB-CB 4.26Å; A987-I990 HydrophobicContact CB-CD1 4.35Å; A987-I990 PolarHBondContact N-O 3.4Å; A987-I990 PolarHBondContact O-N 3.28Å
988P81.4Confident88Confident132 Ų13233.2 Ų33.286%0.85721%0.205SC*.THydrogen-bonded Turntrans-52.2124.4173.8-27.536.3000111.9I990P988-I990 VanDerWaalsContact C-N 3.27Å; P988-I990 PolarHBondContact O-N 3.2Å
989G85.6Confident86.6Confident31 Ų3135.4 Ų35.432%0.3221%0.212SC..THydrogen-bonded Turntrans71.610.6-176.800000115.9A987 H1012 A1013A987-G989 PolarHBondContact O-N 2.9Å; G989-H1012 WeakPolarHBondContact O-CA 3.41Å; G989-A1013 PolarHBondContact O-N 2.98Å
990I92Very high84.9Confident52 Ų5243.4 Ų43.427%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-135115-178.5-52.8179.5000110.8A986 A987 P988 M1010 L1011A986-I990 PolarHBondContact N-O 2.69Å; A987-I990 HydrophobicContact CB-CB 4.26Å; A987-I990 HydrophobicContact CB-CD1 4.35Å; A987-I990 PolarHBondContact N-O 3.4Å; A987-I990 PolarHBondContact O-N 3.28Å; P988-I990 VanDerWaalsContact C-N 3.27Å; P988-I990 PolarHBondContact O-N 3.2Å; I990-M1010 HydrophobicContact CG2-CE 3.54Å; I990-L1011 WeakPolarHBondContact CA-O 3.31Å
991L93.7Very high82.9Confident4 Ų445.8 Ų45.82%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-113.6138.8176.3-71.583.1000111.6T955 L956 A983 T984 I985 M1010 L1011T955-L991 HydrophobicContact CG2-CD2 4.29Å; L956-L991 HydrophobicContact CD1-CD1 3.92Å; L956-L991 HydrophobicContact CD2-CD1 3.52Å; L956-L991 HydrophobicContact CG-CD1 3.85Å; A983-L991 HydrophobicContact CB-CB 4.23Å; A983-L991 HydrophobicContact CB-CD2 3.68Å; T984-L991 CarbonylContact O-C 3.6Å; T984-L991 VanDerWaalsContact O-CA 3.3Å; T984-L991 WeakPolarHBondContact O-CA 3.46Å; I985-L991 HydrophobicContact CG1-CD1 4.37Å; I985-L991 HydrophobicContact CG1-CD2 4.17Å; I985-L991 HydrophobicContact CG1-CG 3.98Å; L991-M1010 CarbonylContact O-C 3.58Å; L991-M1010 WeakPolarHBondContact O-CA 3.5Å; L991-L1011 HydrophobicContact CB-CB 4.23Å; L991-L1011 HydrophobicContact CB-CD1 4.24Å; L991-L1011 HydrophobicContact CB-CG 4.34Å; L991-L1011 PolarHBondContact N-O 3.11Å; L991-L1011 PolarHBondContact O-N 2.99Å
992Q93.3Very high80.9Confident100 Ų10050.4 Ų50.447%0.46730%0.295SS..EExtended strand (participates in β ladder)trans-86.7113.6168.2-176.117514.800109.5A983 T984 M1010A983-Q992 WeakPolarHBondContact CA-O 3.3Å; T984-Q992 PolarHBondContact N-O 3.12Å; T984-Q992 PolarHBondContact O-N 3.01Å; Q992-M1010 HydrophobicContact CB-CE 4.11Å; Q992-M1010 HydrophobicContact CB-SD 4.02Å; Q992-M1010 HydrophobicContact CG-SD 4.04Å
993F95.8Very high79.7Confident4 Ų453.6 Ų53.62%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-96.7139.6178.3-177.5-108.5000111.5L901 W916 M947 A948 A951 S981 A982 A983 V995 S1008 A1009 L1011L901-F993 HydrophobicContact CD2-CE2 4.42Å; L901-F993 HydrophobicContact CD2-CZ 4.1Å; W916-F993 HydrophobicContact CE3-CE2 4.32Å; W916-F993 HydrophobicContact CZ3-CD2 4.3Å; W916-F993 HydrophobicContact CZ3-CE2 4.07Å; M947-F993 HydrophobicContact CB-CZ 4.43Å; A948-F993 HydrophobicContact CB-CD1 4.09Å; A948-F993 HydrophobicContact CB-CE1 3.99Å; A951-F993 HydrophobicContact CB-CD2 3.82Å; A951-F993 HydrophobicContact CB-CE2 3.4Å; A951-F993 VanDerWaalsContact CB-CE2 3.4Å; A951-F993 HydrophobicContact CB-CZ 3.97Å; S981-F993 VanDerWaalsContact CB-CE2 3.41Å; S981-F993 WeakPolarHBondContact OG-CZ 3.49Å; A982-F993 CarbonylContact O-C 3.58Å; A982-F993 VanDerWaalsContact O-CA 3.26Å; A982-F993 WeakPolarHBondContact O-CA 3.43Å; A983-F993 HydrophobicContact CB-CD2 4.15Å; F993-V995 HydrophobicContact CD1-CG2 4.41Å; F993-V995 HydrophobicContact CE1-CG2 3.56Å; F993-V995 HydrophobicContact CZ-CG2 3.91Å; F993-S1008 CarbonylContact O-C 3.5Å; F993-S1008 WeakPolarHBondContact O-CA 3.38Å; F993-S1008 WeakPolarHBondContact O-CB 3.35Å; F993-A1009 HydrophobicContact CB-CB 4.34Å; F993-A1009 HydrophobicContact CD1-CB 4.21Å; F993-A1009 PolarHBondContact N-O 3.12Å; F993-A1009 PolarHBondContact O-N 2.94Å; F993-L1011 HydrophobicContact CB-CD1 4.13Å; F993-L1011 HydrophobicContact CB-CD2 3.77Å; F993-L1011 HydrophobicContact CB-CG 3.87Å; F993-L1011 HydrophobicContact CD2-CD1 4.33Å; F993-L1011 HydrophobicContact CG-CD1 4.49Å; F993-L1011 HydrophobicContact CG-CD2 4.16Å
994A92.6Very high78.6Confident7 Ų755.2 Ų55.26%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-140.9145.5173.400000111.3S981 A982 E996 A1007S981-A994 CarbonylContact C-O 3.51Å; S981-A994 WeakPolarHBondContact CA-O 3.41Å; S981-A994 WeakPolarHBondContact CB-O 3.27Å; A982-A994 PolarHBondContact N-O 3.15Å; A982-A994 PolarHBondContact O-N 3.37Å; A994-E996 HydrophobicContact CB-CG 4.37Å; A994-A1007 CarbonylContact C-O 3.59Å; A994-A1007 WeakPolarHBondContact CA-O 3.38Å
995V92.7Very high78.4Confident1 Ų158.1 Ų58.11%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-115.4121173-177.80000107Y944 M947 S980 F993 R1006 A1007Y944-V995 HydrophobicContact CD1-CB 4.46Å; Y944-V995 HydrophobicContact CD1-CG1 4.19Å; Y944-V995 HydrophobicContact CD1-CG2 4.29Å; Y944-V995 HydrophobicContact CE1-CB 4.41Å; Y944-V995 HydrophobicContact CE1-CG1 3.89Å; M947-V995 HydrophobicContact CE-CG1 3.86Å; M947-V995 HydrophobicContact CE-CG2 3.97Å; S980-V995 WeakPolarHBondContact O-CG1 3.31Å; F993-V995 HydrophobicContact CD1-CG2 4.41Å; F993-V995 HydrophobicContact CE1-CG2 3.56Å; F993-V995 HydrophobicContact CZ-CG2 3.91Å; V995-R1006 WeakPolarHBondContact O-CB 3.17Å; V995-R1006 PolarHBondContact O-N 2.95Å; V995-A1007 HydrophobicContact CB-CB 4.12Å; V995-A1007 HydrophobicContact CG2-CB 4.17Å; V995-A1007 PolarHBondContact N-O 3.39Å; V995-A1007 PolarHBondContact O-N 3.14Å
996E88Confident78.5Confident37 Ų3756.3 Ų56.317%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-126.6161.2-172.2-52.3-167.8138.500111.3S980 A994 A1004 R1005 Q1989S980-E996 VanDerWaalsContact OG-C 3.29Å; S980-E996 WeakPolarHBondContact OG-CA 3.49Å; S980-E996 PolarHBondContact OG-N 3.38Å; S980-E996 VanDerWaalsContact OG-N 3.12Å; S980-E996 PolarHBondContact OG-O 2.83Å; A994-E996 HydrophobicContact CB-CG 4.37Å; E996-A1004 CarbonylContact C-O 3.54Å; E996-R1005 HydrophobicContact CG-CB 4.3Å; E996-R1005 HydrophobicContact CG-CG 4.22Å; E996-R1005 IonicContact OE1-CZ 3.17Å; E996-R1005 IonicContact OE1-NE 2.83Å; E996-R1005 PolarHBondContact OE1-NE 2.92Å; E996-R1005 IonicContact OE1-NH2 2.84Å; E996-R1005 PolarHBondContact OE1-NH2 3.09Å; E996-Q1989 CarbonylContact C-O 3.58Å; E996-Q1989 CarbonylContact O-C 3.5Å
997S83.8Confident79Confident0 Ų053.2 Ų53.20%030%0.3CS..EExtended strand (participates in β ladder)trans-130.9133-176.180.90000116.8P1003 A1004 R1006 N1988 Q1989S997-P1003 CarbonylContact O-C 3.51Å; S997-P1003 VanDerWaalsContact O-CA 3.26Å; S997-P1003 WeakPolarHBondContact O-CA 3.26Å; S997-A1004 PolarHBondContact N-O 2.92Å; S997-A1004 PolarHBondContact O-N 2.96Å; S997-A1004 PolarHBondContact OG-O 3.27Å; S997-R1006 VanDerWaalsContact OG-CZ 3.25Å; S997-R1006 PolarHBondContact OG-NE 2.99Å; S997-R1006 PolarHBondContact OG-NH2 3.45Å; S997-N1988 WeakPolarHBondContact CA-O 3.5Å; S997-N1988 WeakPolarHBondContact CB-O 3.4Å; S997-Q1989 CarbonylContact C-O 3.59Å; S997-Q1989 WeakPolarHBondContact CA-O 3.37Å; S997-Q1989 PolarHBondContact N-O 3.41Å; S997-Q1989 VanDerWaalsContact N-O 3.07Å
998H69.2Low79.5Confident66 Ų6652.1 Ų52.131%0.30629%0.29SS..EExtended strand (participates in β ladder)trans-86.6120.1167.4-73.5-159.5000111.7E1002 Q1989 P1990H998-E1002 WeakPolarHBondContact CA-O 3.35Å; H998-Q1989 HydrophobicContact CB-CB 4Å; H998-Q1989 VanDerWaalsContact CD2-C 3.49Å; H998-Q1989 PolarHBondContact CD2-O 3.08Å; H998-Q1989 VanDerWaalsContact N-C 3.31Å; H998-Q1989 VanDerWaalsContact N-CA 3.31Å; H998-Q1989 PolarHBondContact N-O 3.18Å; H998-P1990 PolarHBondContact CE1-O 3.36Å; H998-P1990 WeakPolarHBondContact ND1-CD 3.44Å; H998-P1990 PolarHBondContact NE2-O 3.02Å
999Q55.7Low80.2Confident99 Ų9946 Ų4646%0.46325%0.251SS..EExtended strand (participates in β ladder)trans-123.6127.8165.1-73.3-175.5-49.200108.7G1001 E1002 R1006Q999-G1001 PolarHBondContact O-N 3.4Å; Q999-E1002 PolarHBondContact N-O 3.46Å; Q999-E1002 PolarHBondContact O-N 3.2Å; Q999-R1006 VanDerWaalsContact OE1-NH2 3.13Å
1000E50.8Low80.7Confident169 Ų16946.6 Ų46.679%0.7925%0.246SC*.THydrogen-bonded Turntrans51.113.8-174.1-57.3-165.6172.800117.2R1449E1000-R1449 IonicContact OE2-CZ 3.01Å; E1000-R1449 IonicContact OE2-NH2 2.9Å; E1000-R1449 PolarHBondContact OE2-NH2 3.34Å
1001G48.8Very low81Confident55 Ų5544.1 Ų44.157%0.56723%0.233SC*.THydrogen-bonded Turntrans106.4-5.3-176.400000115.3Q999Q999-G1001 PolarHBondContact O-N 3.4Å
1002E50.4Low81Confident100 Ų10045.2 Ų45.247%0.46724%0.238SC..EExtended strand (participates in β ladder)trans-101.5136.5179.9-59.1-64.9161.300111.7H998 Q999H998-E1002 WeakPolarHBondContact CA-O 3.35Å; Q999-E1002 PolarHBondContact N-O 3.46Å; Q999-E1002 PolarHBondContact O-N 3.2Å
1003P65.5Low81Confident76 Ų7642.7 Ų42.749%0.49423%0.234SC..EExtended strand (participates in β ladder)trans-82.8137.7176.532.3-33.8000113.2S997S997-P1003 CarbonylContact O-C 3.51Å; S997-P1003 VanDerWaalsContact O-CA 3.26Å; S997-P1003 WeakPolarHBondContact O-CA 3.26Å
1004A70.8Confident80.6Confident34 Ų3444.1 Ų44.128%0.28124%0.242SC..EExtended strand (participates in β ladder)trans-139.2126.7178.300000111.7E996 S997 R1006E996-A1004 CarbonylContact C-O 3.54Å; S997-A1004 PolarHBondContact N-O 2.92Å; S997-A1004 PolarHBondContact O-N 2.96Å; S997-A1004 PolarHBondContact OG-O 3.27Å; A1004-R1006 WeakPolarHBondContact O-CG 3.48Å
1005R85.1Confident80.1Confident100 Ų10052.8 Ų52.838%0.37728%0.281SS..EExtended strand (participates in β ladder)trans-74.1144.5-174.9-168.5167.8-66.4173.30.6113.3E968 E996E968-R1005 WeakPolarHBondContact OE1-CD 3.48Å; E968-R1005 VanDerWaalsContact OE2-CD 3.31Å; E968-R1005 WeakPolarHBondContact OE2-CD 2.94Å; E968-R1005 WeakPolarHBondContact OE2-CG 3.42Å; E996-R1005 HydrophobicContact CG-CB 4.3Å; E996-R1005 HydrophobicContact CG-CG 4.22Å; E996-R1005 IonicContact OE1-CZ 3.17Å; E996-R1005 IonicContact OE1-NE 2.83Å; E996-R1005 PolarHBondContact OE1-NE 2.92Å; E996-R1005 IonicContact OE1-NH2 2.84Å; E996-R1005 PolarHBondContact OE1-NH2 3.09Å
1006R88.1Confident79.6Confident10 Ų1060.1 Ų60.14%0.03832%0.315CS..EExtended strand (participates in β ladder)trans-128.2-38.2-167.8-56.8-62.5-171.4165.7-2.6113.2Y944 F967 E968 Q969 T970 L971 V995 S997 Q999 A1004Y944-R1006 HydrophobicContact CE1-CB 4.47Å; F967-R1006 CarbonylContact C-O 3.51Å; E968-R1006 PolarHBondContact N-O 3.13Å; Q969-R1006 PolarHBondContact N-O 3.15Å; Q969-R1006 VanDerWaalsContact N-O 3.17Å; Q969-R1006 VanDerWaalsContact OE1-NH1 3.14Å; T970-R1006 PolarHBondContact O-NH1 2.65Å; L971-R1006 HydrophobicContact CD1-CB 3.89Å; L971-R1006 HydrophobicContact CD1-CG 3.32Å; V995-R1006 WeakPolarHBondContact O-CB 3.17Å; V995-R1006 PolarHBondContact O-N 2.95Å; S997-R1006 VanDerWaalsContact OG-CZ 3.25Å; S997-R1006 PolarHBondContact OG-NE 2.99Å; S997-R1006 PolarHBondContact OG-NH2 3.45Å; Q999-R1006 VanDerWaalsContact OE1-NH2 3.13Å; A1004-R1006 WeakPolarHBondContact O-CG 3.48Å
1007A91.9Very high79.3Confident3 Ų360.1 Ų60.13%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-146.7159.9168.200000111.2Y944 K966 F967 A994 V995Y944-A1007 HydrophobicContact CD1-CB 3.74Å; Y944-A1007 HydrophobicContact CD2-CB 4.11Å; Y944-A1007 HydrophobicContact CE1-CB 3.99Å; Y944-A1007 HydrophobicContact CE2-CB 4.31Å; Y944-A1007 HydrophobicContact CG-CB 3.79Å; K966-A1007 CarbonylContact O-C 3.57Å; K966-A1007 WeakPolarHBondContact O-CA 3.23Å; K966-A1007 WeakPolarHBondContact O-CB 3.5Å; F967-A1007 HydrophobicContact CD1-CB 4.27Å; A994-A1007 CarbonylContact C-O 3.59Å; A994-A1007 WeakPolarHBondContact CA-O 3.38Å; V995-A1007 HydrophobicContact CB-CB 4.12Å; V995-A1007 HydrophobicContact CG2-CB 4.17Å; V995-A1007 PolarHBondContact N-O 3.39Å; V995-A1007 PolarHBondContact O-N 3.14Å
1008S94.6Very high79.2Confident14 Ų1464.1 Ų64.110%0.09834%0.342CS..EExtended strand (participates in β ladder)trans-144.6157.8168.856.10000111.6I965 K966 E968 F993I965-S1008 CarbonylContact C-O 3.51Å; I965-S1008 WeakPolarHBondContact CA-O 3.32Å; K966-S1008 PolarHBondContact N-O 3.17Å; K966-S1008 PolarHBondContact O-N 3.3Å; E968-S1008 WeakPolarHBondContact OE1-CB 3.45Å; E968-S1008 PolarHBondContact OE1-OG 2.92Å; F993-S1008 CarbonylContact O-C 3.5Å; F993-S1008 WeakPolarHBondContact O-CA 3.38Å; F993-S1008 WeakPolarHBondContact O-CB 3.35Å
1009A96.1Very high80Confident4 Ų464.8 Ų64.83%0.03335%0.345CS..EExtended strand (participates in β ladder)trans-156.6169.3178.300000111.2A948 V962 I965 F993A948-A1009 HydrophobicContact CB-CB 4.37Å; V962-A1009 HydrophobicContact CG1-CB 3.7Å; I965-A1009 HydrophobicContact CB-CB 4.36Å; I965-A1009 HydrophobicContact CG1-CB 3.99Å; I965-A1009 HydrophobicContact CG2-CB 4.44Å; F993-A1009 HydrophobicContact CB-CB 4.34Å; F993-A1009 HydrophobicContact CD1-CB 4.21Å; F993-A1009 PolarHBondContact N-O 3.12Å; F993-A1009 PolarHBondContact O-N 2.94Å
1010M96.5Very high81.6Confident44 Ų4461.4 Ų61.422%0.21733%0.332CS..EExtended strand (participates in β ladder)trans-111.6124.2167.6-60.7-56.1-55.700109.6R963 A986 I990 L991 Q992R963-M1010 HydrophobicContact CB-CB 4.39Å; R963-M1010 PolarHBondContact N-O 2.9Å; R963-M1010 PolarHBondContact O-N 3.17Å; A986-M1010 HydrophobicContact CB-CE 4.42Å; I990-M1010 HydrophobicContact CG2-CE 3.54Å; L991-M1010 CarbonylContact O-C 3.58Å; L991-M1010 WeakPolarHBondContact O-CA 3.5Å; Q992-M1010 HydrophobicContact CB-CE 4.11Å; Q992-M1010 HydrophobicContact CB-SD 4.02Å; Q992-M1010 HydrophobicContact CG-SD 4.04Å
1011L96.7Very high83.3Confident0 Ų058.8 Ų58.80%033%0.329CS..EExtended strand (participates in β ladder)trans-93.1131.3175.6-39.1-180000108.1A948 A951 A952 L956 V962 A983 I990 L991 F993A948-L1011 HydrophobicContact CB-CD2 4.45Å; A951-L1011 HydrophobicContact CB-CD1 4.04Å; A952-L1011 HydrophobicContact CB-CB 4.27Å; A952-L1011 HydrophobicContact CB-CD2 4.24Å; L956-L1011 HydrophobicContact CD1-CB 3.81Å; V962-L1011 HydrophobicContact CG1-CD2 4.2Å; V962-L1011 HydrophobicContact CG2-CD2 4.41Å; A983-L1011 HydrophobicContact CB-CD1 3.98Å; I990-L1011 WeakPolarHBondContact CA-O 3.31Å; L991-L1011 HydrophobicContact CB-CB 4.23Å; L991-L1011 HydrophobicContact CB-CD1 4.24Å; L991-L1011 HydrophobicContact CB-CG 4.34Å; L991-L1011 PolarHBondContact N-O 3.11Å; L991-L1011 PolarHBondContact O-N 2.99Å; F993-L1011 HydrophobicContact CB-CD1 4.13Å; F993-L1011 HydrophobicContact CB-CD2 3.77Å; F993-L1011 HydrophobicContact CB-CG 3.87Å; F993-L1011 HydrophobicContact CD2-CD1 4.33Å; F993-L1011 HydrophobicContact CG-CD1 4.49Å; F993-L1011 HydrophobicContact CG-CD2 4.16Å
1012H95.4Very high85.2Confident27 Ų2758.8 Ų58.813%0.12533%0.329CS..EExtended strand (participates in β ladder)trans-128.2135.1-176.1-79.1-96.6000111.9S960 E961 G989S960-H1012 CarbonylContact C-O 3.56Å; S960-H1012 VanDerWaalsContact CA-O 3.22Å; S960-H1012 WeakPolarHBondContact CA-O 3.25Å; S960-H1012 WeakPolarHBondContact CB-O 3.2Å; E961-H1012 HydrophobicContact CG-CB 3.94Å; E961-H1012 PolarHBondContact N-O 3.46Å; E961-H1012 PolarHBondContact O-N 2.9Å; G989-H1012 WeakPolarHBondContact O-CA 3.41Å
1013A91.7Very high87.2Confident46 Ų4656.7 Ų56.738%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-78.4156.4167.500000111.1L956 G989L956-A1013 HydrophobicContact CB-CB 4.45Å; L956-A1013 HydrophobicContact CD2-CB 4.31Å; G989-A1013 PolarHBondContact O-N 2.98Å
1014L87.3Confident88.3Confident34 Ų3457.7 Ų57.718%0.17832%0.319CS..  trans-131.9145.1177.1-63.5173.8000110.1L959 E961 M1017L959-L1014 HydrophobicContact CB-CB 4.42Å; L959-L1014 WeakPolarHBondContact CB-O 3.29Å; L959-L1014 PolarHBondContact O-N 3.43Å; E961-L1014 HydrophobicContact CB-CD1 4.1Å; E961-L1014 HydrophobicContact CG-CD1 4.08Å; E961-L1014 HydrophobicContact CG-CD2 4.14Å; E961-L1014 HydrophobicContact CG-CG 4.18Å; L1014-M1017 HydrophobicContact CD1-CE 4.22Å; L1014-M1017 HydrophobicContact CD1-CG 4.37Å
1015E82.5Confident89.1Confident189 Ų18957.1 Ų57.188%0.88331%0.312SS*.SBendtrans-78.6-37.3170.7-63.5176.4154.500111.2
1016E82.2Confident89.1Confident156 Ų15658.3 Ų58.373%0.72933%0.325SS*.  trans-140.5146.3175.9-66.2-174.2165.500110.8P1018E1016-P1018 WeakPolarHBondContact O-CD 3.42Å
1017M81.3Confident89.1Confident36 Ų3660.3 Ų60.318%0.17734%0.344CS..  trans-117.285.3170.7-162.5-173.4-57.900109.8E958 L959 S960 L1014 Q1019 Y1129E958-M1017 WeakPolarHBondContact O-CE 3.23Å; L959-M1017 HydrophobicContact CD2-CB 3.88Å; S960-M1017 WeakPolarHBondContact O-CE 3.2Å; L1014-M1017 HydrophobicContact CD1-CE 4.22Å; L1014-M1017 HydrophobicContact CD1-CG 4.37Å; M1017-Q1019 PolarHBondContact O-N 3.33Å; M1017-Y1129 HydrophobicContact CG-CD1 3.71Å; M1017-Y1129 HydrophobicContact CG-CE1 3.73Å; M1017-Y1129 HydrophobicContact SD-CD1 3.6Å; M1017-Y1129 HydrophobicContact SD-CE1 3.98Å; M1017-Y1129 HydrophobicContact SD-CG 4.12Å
1018P83.1Confident88.8Confident85 Ų8561.5 Ų61.555%0.55235%0.35SS*.PPolyproline II helixtrans-66.9128.6-176.526-34.5000111.5E1016 Y1129E1016-P1018 WeakPolarHBondContact O-CD 3.42Å; P1018-Y1129 WeakPolarHBondContact O-CE1 3.43Å
1019Q85.4Confident88.3Confident80 Ų8063.4 Ų63.437%0.37436%0.361SS..PPolyproline II helixtrans-64.7130.5-178.1179.957.311.300111.5M1017 Y1129 V1164M1017-Q1019 PolarHBondContact O-N 3.33Å; Q1019-Y1129 VanDerWaalsContact OE1-CB 3.3Å; Q1019-V1164 PolarHBondContact NE2-O 3.46Å
1020P88.3Confident87.8Confident28 Ų2866.8 Ų66.818%0.18239%0.389CS..PPolyproline II helixtrans-64.5151.3176.1-21.934.4000112.1G1022 Y1129 V1164 T1167P1020-G1022 PolarHBondContact O-N 2.83Å; P1020-Y1129 HydrophobicContact CG-CD1 4.37Å; P1020-Y1129 HydrophobicContact CG-CD2 4.32Å; P1020-Y1129 HydrophobicContact CG-CE1 3.86Å; P1020-Y1129 HydrophobicContact CG-CE2 3.82Å; P1020-V1164 HydrophobicContact CB-CB 4Å; P1020-V1164 HydrophobicContact CB-CG1 4.18Å; P1020-V1164 HydrophobicContact CB-CG2 4.1Å; P1020-V1164 HydrophobicContact CG-CB 4.14Å; P1020-V1164 HydrophobicContact CG-CG1 3.96Å; P1020-T1167 HydrophobicContact CG-CG2 4.34Å
1021P87.3Confident87.2Confident114 Ų11467.1 Ų67.174%0.7440%0.399SS*.PPolyproline II helixtrans-62.1131.8174.127.5-34.4000110.6
1022G88.8Confident86.9Confident55 Ų5567.3 Ų67.357%0.56740%0.4SS*.PPolyproline II helixtrans-69.3155.5178.800000113.5P1020 G1162P1020-G1022 PolarHBondContact O-N 2.83Å; G1022-G1162 CarbonylContact C-O 3.48Å; G1022-G1162 WeakPolarHBondContact CA-O 3.25Å
1023Y91.6Very high86.2Confident56 Ų5671.8 Ų71.822%0.2242%0.421CS..PPolyproline II helixtrans-98.6135.7-176.9-75.6-71.2000112.8T1025 L1028 L1139 R1141 D1156 F1158 G1162 V1164Y1023-T1025 PolarHBondContact O-N 2.78Å; Y1023-L1028 HydrophobicContact CD1-CD1 3.84Å; Y1023-L1028 HydrophobicContact CD1-CG 4.42Å; Y1023-L1028 HydrophobicContact CG-CD1 3.81Å; Y1023-L1139 HydrophobicContact CE1-CD2 3.81Å; Y1023-L1139 HydrophobicContact CE2-CD2 4.38Å; Y1023-R1141 PolarHBondContact OH-NH2 2.78Å; Y1023-D1156 HydrophobicContact CE2-CB 3.86Å; Y1023-D1156 PolarHBondContact OH-OD2 2.75Å; Y1023-F1158 AromaticContact CD2-CD1 3.87Å; Y1023-F1158 HydrophobicContact CD2-CD1 3.87Å; Y1023-F1158 AromaticContact CD2-CE1 3.89Å; Y1023-F1158 HydrophobicContact CD2-CE1 3.89Å; Y1023-F1158 HydrophobicContact CD2-CG 4.31Å; Y1023-F1158 HydrophobicContact CD2-CZ 4.32Å; Y1023-F1158 HydrophobicContact CE2-CD1 4.38Å; Y1023-F1158 HydrophobicContact CE2-CE1 4.32Å; Y1023-G1162 PolarHBondContact N-O 2.84Å; Y1023-G1162 VanDerWaalsContact O-CA 3.24Å; Y1023-G1162 WeakPolarHBondContact O-CA 3.32Å; Y1023-V1164 HydrophobicContact CD2-CG2 4.02Å; Y1023-V1164 HydrophobicContact CE2-CG2 4.05Å
1024D90.4Very high85.7Confident96 Ų9671.1 Ų71.151%0.51341%0.413SS..  trans-70.8103.2165.7180-15.6000109.2N1026 A1027 L1028D1024-N1026 VanDerWaalsContact C-N 3.27Å; D1024-N1026 PolarHBondContact O-N 2.67Å; D1024-N1026 WeakPolarHBondContact OD1-CA 3.37Å; D1024-N1026 WeakPolarHBondContact OD1-CB 3.32Å; D1024-N1026 PolarHBondContact OD1-N 3.48Å; D1024-A1027 HydrophobicContact CB-CB 3.84Å; D1024-A1027 PolarHBondContact O-N 2.81Å; D1024-A1027 PolarHBondContact OD1-N 3.18Å; D1024-L1028 PolarHBondContact O-N 2.93Å
1025T86.8Confident85.7Confident22 Ų2273 Ų7314%0.13543%0.429CS..Hα-helixtrans-64.3-30-177.653.50000112.7Y1023 T1029 Y1137 F1158 Q1160Y1023-T1025 PolarHBondContact O-N 2.78Å; T1025-T1029 WeakPolarHBondContact O-CB 3.34Å; T1025-T1029 PolarHBondContact O-N 2.91Å; T1025-T1029 PolarHBondContact O-OG1 3.44Å; T1025-Y1137 HydrophobicContact CG2-CD2 4.19Å; T1025-Y1137 HydrophobicContact CG2-CE2 4.2Å; T1025-F1158 HydrophobicContact CG2-CD2 4.21Å; T1025-F1158 HydrophobicContact CG2-CE2 4.07Å; T1025-Q1160 WeakPolarHBondContact CG2-O 3.28Å; T1025-Q1160 PolarHBondContact OG1-O 2.71Å
1026N85.6Confident86Confident125 Ų12567.2 Ų67.267%0.66840%0.403SS*.Hα-helixtrans-72.2-44.2175.5-60.1-80.9000110.7D1024 T1029 A1030D1024-N1026 VanDerWaalsContact C-N 3.27Å; D1024-N1026 PolarHBondContact O-N 2.67Å; D1024-N1026 WeakPolarHBondContact OD1-CA 3.37Å; D1024-N1026 WeakPolarHBondContact OD1-CB 3.32Å; D1024-N1026 PolarHBondContact OD1-N 3.48Å; N1026-T1029 PolarHBondContact O-N 3.37Å; N1026-A1030 VanDerWaalsContact O-CB 3.31Å; N1026-A1030 WeakPolarHBondContact O-CB 3.49Å; N1026-A1030 PolarHBondContact O-N 3.48Å
1027A87.5Confident86.4Confident53 Ų5362 Ų6244%0.43838%0.383SS..Hα-helixtrans-65.6-40.5176.900000112.2D1024 A1030 A1031D1024-A1027 HydrophobicContact CB-CB 3.84Å; D1024-A1027 PolarHBondContact O-N 2.81Å; D1024-A1027 PolarHBondContact OD1-N 3.18Å; A1027-A1030 PolarHBondContact O-N 3.28Å; A1027-A1031 WeakPolarHBondContact O-CB 3.48Å; A1027-A1031 PolarHBondContact O-N 2.89Å
1028L86.6Confident86.7Confident27 Ų2760.3 Ų60.314%0.14138%0.376CS..Hα-helixtrans-63.3-46.4174.2-77.2-175.2000111.9Y1023 D1024 A1030 A1031 H1032 L1073 L1139 F1158Y1023-L1028 HydrophobicContact CD1-CD1 3.84Å; Y1023-L1028 HydrophobicContact CD1-CG 4.42Å; Y1023-L1028 HydrophobicContact CG-CD1 3.81Å; D1024-L1028 PolarHBondContact O-N 2.93Å; L1028-A1030 VanDerWaalsContact C-N 3.32Å; L1028-A1030 PolarHBondContact O-N 2.96Å; L1028-A1031 PolarHBondContact O-N 2.85Å; L1028-H1032 PolarHBondContact O-N 2.86Å; L1028-H1032 VanDerWaalsContact O-N 3.16Å; L1028-H1032 PolarHBondContact O-ND1 3.39Å; L1028-L1073 HydrophobicContact CB-CD2 4.07Å; L1028-L1073 HydrophobicContact CD1-CD1 4.31Å; L1028-L1139 HydrophobicContact CD1-CD2 4.46Å; L1028-L1139 HydrophobicContact CD2-CD1 4.41Å; L1028-L1139 HydrophobicContact CD2-CD2 4.33Å; L1028-F1158 HydrophobicContact CD1-CE1 4.41Å; L1028-F1158 HydrophobicContact CD1-CE2 3.98Å; L1028-F1158 HydrophobicContact CD1-CZ 3.51Å
1029T84.1Confident86.8Confident55 Ų5561.9 Ų61.934%0.33738%0.376SS..Hα-helixtrans-63.3-40178.9-54.50000111.2T1025 N1026 A1031 H1032T1025-T1029 WeakPolarHBondContact O-CB 3.34Å; T1025-T1029 PolarHBondContact O-N 2.91Å; T1025-T1029 PolarHBondContact O-OG1 3.44Å; N1026-T1029 PolarHBondContact O-N 3.37Å; T1029-A1031 VanDerWaalsContact C-N 3.33Å; T1029-A1031 PolarHBondContact O-N 3.5Å; T1029-H1032 PolarHBondContact O-N 2.82Å
1030A84.7Confident86.8Confident75 Ų7562.9 Ų62.962%0.6238%0.38SS*.Hα-helixtrans-66.3-30.6175.400000113.6N1026 A1027 L1028N1026-A1030 VanDerWaalsContact O-CB 3.31Å; N1026-A1030 WeakPolarHBondContact O-CB 3.49Å; N1026-A1030 PolarHBondContact O-N 3.48Å; A1027-A1030 PolarHBondContact O-N 3.28Å; L1028-A1030 VanDerWaalsContact C-N 3.32Å; L1028-A1030 PolarHBondContact O-N 2.96Å
1031A84.9Confident86.6Confident50 Ų5061.5 Ų61.541%0.41337%0.372SS..Hα-helixtrans-75.4-27.7176.300000113.2A1027 L1028 T1029 E1033 A1065A1027-A1031 WeakPolarHBondContact O-CB 3.48Å; A1027-A1031 PolarHBondContact O-N 2.89Å; L1028-A1031 PolarHBondContact O-N 2.85Å; T1029-A1031 VanDerWaalsContact C-N 3.33Å; T1029-A1031 PolarHBondContact O-N 3.5Å; A1031-E1033 PolarHBondContact O-N 3.13Å; A1031-A1065 WeakPolarHBondContact O-CA 3Å; A1031-A1065 VanDerWaalsContact O-CB 3.25Å; A1031-A1065 WeakPolarHBondContact O-CB 3.47Å
1032H89.1Confident86.6Confident4 Ų458.8 Ų58.82%0.01935%0.347CS..  trans-101.855.7-174.9-64.183.7000112.2L1028 T1029 S1034 H1063 T1064 T1071 L1073L1028-H1032 PolarHBondContact O-N 2.86Å; L1028-H1032 VanDerWaalsContact O-N 3.16Å; L1028-H1032 PolarHBondContact O-ND1 3.39Å; T1029-H1032 PolarHBondContact O-N 2.82Å; H1032-S1034 PolarHBondContact O-N 3.05Å; H1032-H1063 HydrophobicContact CB-CB 3.61Å; H1032-H1063 PolarHBondContact CD2-O 2.66Å; H1032-H1063 WeakPolarHBondContact O-CB 3.33Å; H1032-T1064 CarbonylContact C-O 3.56Å; H1032-T1071 PolarHBondContact NE2-OG1 2.83Å; H1032-L1073 HydrophobicContact CB-CB 4.21Å; H1032-L1073 HydrophobicContact CB-CD2 4.46Å
1033E80.3Confident86.2Confident122 Ų12262 Ų6257%0.5735%0.345SS*.  trans-51-25.7-171.3-61.9-173167.900117.3A1031 T1064 R1066A1031-E1033 PolarHBondContact O-N 3.13Å; E1033-T1064 PolarHBondContact N-O 3.46Å; E1033-R1066 VanDerWaalsContact OE2-CD 3.29Å; E1033-R1066 WeakPolarHBondContact OE2-CD 3.34Å; E1033-R1066 IonicContact OE2-CZ 2.66Å; E1033-R1066 IonicContact OE2-NE 3.45Å; E1033-R1066 IonicContact OE2-NH1 2.72Å; E1033-R1066 PolarHBondContact OE2-NH1 2.8Å
1034S82.5Confident85.6Confident32 Ų3261.7 Ų61.722%0.22435%0.346CS..EExtended strand (participates in β ladder)trans-107.698-166.1-58.80000111.8H1032 T1064 R1066H1032-S1034 PolarHBondContact O-N 3.05Å; S1034-T1064 WeakPolarHBondContact CB-O 3.15Å; S1034-T1064 WeakPolarHBondContact CB-OG1 3Å; S1034-T1064 PolarHBondContact N-O 3.46Å; S1034-T1064 PolarHBondContact O-N 3.22Å; S1034-T1064 PolarHBondContact O-OG1 3.07Å; S1034-R1066 PolarHBondContact OG-NE 2.91Å; S1034-R1066 VanDerWaalsContact OG-NE 3.07Å
1035S87.6Confident85.2Confident73 Ų7357.1 Ų57.151%0.5132%0.321SS..EExtended strand (participates in β ladder)trans-86150.1-178.4-160.10000113.9V1062 H1063S1035-V1062 CarbonylContact C-O 3.19Å; S1035-V1062 VanDerWaalsContact CA-O 3.28Å; S1035-V1062 WeakPolarHBondContact CA-O 3.48Å; S1035-H1063 VanDerWaalsContact CB-ND1 3.25Å; S1035-H1063 WeakPolarHBondContact CB-ND1 3.47Å; S1035-H1063 PolarHBondContact OG-CE1 2.98Å; S1035-H1063 PolarHBondContact OG-ND1 2.96Å
1036M87.8Confident84.7Confident67 Ų6760 Ų6033%0.3334%0.336SS..EExtended strand (participates in β ladder)trans-138138167.3-175.3-178.3-58.600109.5E1040 L1041 M1044 A1061 V1062M1036-E1040 HydrophobicContact CG-CB 3.78Å; M1036-E1040 HydrophobicContact SD-CB 4.18Å; M1036-L1041 HydrophobicContact CG-CD2 4.21Å; M1036-L1041 HydrophobicContact CG-CG 4.29Å; M1036-L1041 HydrophobicContact SD-CD2 3.52Å; M1036-L1041 VanDerWaalsContact SD-CD2 3.52Å; M1036-L1041 HydrophobicContact SD-CG 4.15Å; M1036-M1044 HydrophobicContact CE-CE 4.02Å; M1036-M1044 HydrophobicContact SD-CE 3.59Å; M1036-M1044 VanDerWaalsContact SD-CE 3.59Å; M1036-A1061 CarbonylContact O-C 3.58Å; M1036-A1061 VanDerWaalsContact O-CA 3.31Å; M1036-A1061 WeakPolarHBondContact O-CA 3.39Å; M1036-V1062 HydrophobicContact CB-CG2 4.15Å; M1036-V1062 PolarHBondContact N-O 3.31Å; M1036-V1062 PolarHBondContact O-N 2.97Å
1037S91.7Very high83.8Confident46 Ų4656.7 Ų56.732%0.32232%0.323SS..EExtended strand (participates in β ladder)trans-77.7152.3-175.570.70000113.2E1039 E1040 L1041S1037-E1039 PolarHBondContact O-N 2.84Å; S1037-E1039 VanDerWaalsContact O-N 3.14Å; S1037-E1040 VanDerWaalsContact CB-OE2 3.29Å; S1037-E1040 WeakPolarHBondContact CB-OE2 3.22Å; S1037-E1040 PolarHBondContact N-OE2 3.17Å; S1037-E1040 WeakPolarHBondContact O-CB 3.38Å; S1037-E1040 PolarHBondContact O-N 3.38Å; S1037-E1040 VanDerWaalsContact OG-CD 3.3Å; S1037-E1040 WeakPolarHBondContact OG-CG 3.48Å; S1037-E1040 PolarHBondContact OG-N 3.41Å; S1037-E1040 PolarHBondContact OG-OE2 3.18Å; S1037-L1041 WeakPolarHBondContact O-CG 3.38Å; S1037-L1041 PolarHBondContact O-N 3.48Å
1038G87.4Confident82.9Confident1 Ų156.2 Ų56.21%0.0131%0.313CS..Hα-helixtrans-57.9-25.8174.700000114.3R1042 L1059 V1060G1038-R1042 VanDerWaalsContact C-CZ 3.5Å; G1038-R1042 WeakPolarHBondContact O-CB 3.41Å; G1038-R1042 WeakPolarHBondContact O-CG 3.36Å; G1038-R1042 PolarHBondContact O-N 3.02Å; G1038-R1042 PolarHBondContact O-NE 3.28Å; G1038-R1042 PolarHBondContact O-NH1 3.26Å; G1038-L1059 VanDerWaalsContact CA-O 3.3Å; G1038-L1059 WeakPolarHBondContact CA-O 3.23Å; G1038-V1060 WeakPolarHBondContact CA-O 3.23Å; G1038-V1060 PolarHBondContact N-O 2.76Å
1039E85.4Confident82Confident119 Ų11955.1 Ų55.156%0.55631%0.308SS*.Hα-helixtrans-73-38.4174.9-158.1-164.7128.700112S1037 K1043S1037-E1039 PolarHBondContact O-N 2.84Å; S1037-E1039 VanDerWaalsContact O-N 3.14Å; E1039-K1043 WeakPolarHBondContact O-CD 3.42Å; E1039-K1043 VanDerWaalsContact O-CG 3.27Å; E1039-K1043 WeakPolarHBondContact O-CG 3.46Å; E1039-K1043 PolarHBondContact O-N 3.43Å; E1039-K1043 VanDerWaalsContact OE1-CE 3.25Å; E1039-K1043 WeakPolarHBondContact OE1-CE 3.46Å; E1039-K1043 IonicContact OE1-NZ 3.56Å; E1039-K1043 PolarHBondContact OE1-NZ 2.86Å
1040E84.1Confident81.8Confident100 Ų10052.9 Ų52.947%0.46729%0.294SS..Hα-helixtrans-67.6-40.7172.7-67.8161.4125.700111.1M1036 S1037 K1043 M1044M1036-E1040 HydrophobicContact CG-CB 3.78Å; M1036-E1040 HydrophobicContact SD-CB 4.18Å; S1037-E1040 VanDerWaalsContact CB-OE2 3.29Å; S1037-E1040 WeakPolarHBondContact CB-OE2 3.22Å; S1037-E1040 PolarHBondContact N-OE2 3.17Å; S1037-E1040 WeakPolarHBondContact O-CB 3.38Å; S1037-E1040 PolarHBondContact O-N 3.38Å; S1037-E1040 VanDerWaalsContact OG-CD 3.3Å; S1037-E1040 WeakPolarHBondContact OG-CG 3.48Å; S1037-E1040 PolarHBondContact OG-N 3.41Å; S1037-E1040 PolarHBondContact OG-OE2 3.18Å; E1040-K1043 WeakPolarHBondContact O-CB 3.47Å; E1040-K1043 PolarHBondContact O-N 2.89Å; E1040-M1044 PolarHBondContact O-N 2.9Å
1041L85.4Confident81.8Confident0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-64-44.4176-63.9170.9000112.4M1036 S1037 K1043 M1044 F1045 L1059 V1062 V1105M1036-L1041 HydrophobicContact CG-CD2 4.21Å; M1036-L1041 HydrophobicContact CG-CG 4.29Å; M1036-L1041 HydrophobicContact SD-CD2 3.52Å; M1036-L1041 VanDerWaalsContact SD-CD2 3.52Å; M1036-L1041 HydrophobicContact SD-CG 4.15Å; S1037-L1041 WeakPolarHBondContact O-CG 3.38Å; S1037-L1041 PolarHBondContact O-N 3.48Å; L1041-K1043 VanDerWaalsContact C-N 3.27Å; L1041-K1043 PolarHBondContact O-N 3.01Å; L1041-M1044 HydrophobicContact CD2-CE 4.27Å; L1041-M1044 CarbonylContact O-C 3.47Å; L1041-M1044 WeakPolarHBondContact O-CA 3.37Å; L1041-M1044 WeakPolarHBondContact O-CB 3.34Å; L1041-M1044 PolarHBondContact O-N 3.22Å; L1041-F1045 HydrophobicContact CB-CE2 3.92Å; L1041-F1045 HydrophobicContact CB-CZ 4.15Å; L1041-F1045 VanDerWaalsContact O-CD2 3.24Å; L1041-F1045 WeakPolarHBondContact O-CD2 3.47Å; L1041-F1045 VanDerWaalsContact O-CG 3.23Å; L1041-F1045 WeakPolarHBondContact O-CG 3.41Å; L1041-F1045 PolarHBondContact O-N 3.4Å; L1041-L1059 HydrophobicContact CB-CD2 4.43Å; L1041-L1059 HydrophobicContact CD1-CD2 3.57Å; L1041-L1059 HydrophobicContact CD1-CG 3.92Å; L1041-V1062 HydrophobicContact CD1-CB 4.05Å; L1041-V1062 HydrophobicContact CD1-CG1 3.55Å; L1041-V1062 HydrophobicContact CD1-CG2 3.52Å; L1041-V1062 HydrophobicContact CD2-CG2 3.92Å; L1041-V1062 HydrophobicContact CG-CG2 4.23Å; L1041-V1105 HydrophobicContact CD2-CB 4.45Å; L1041-V1105 HydrophobicContact CD2-CG1 3.86Å; L1041-V1105 HydrophobicContact CD2-CG2 3.65Å
1042R85.5Confident81.9Confident57 Ų5749.6 Ų49.622%0.21526%0.256CS..Hα-helixtrans-63.5-31.7174.9-76.8-176.9-72.5-78.94.9112.8G1038 N1046 S1057 L1059G1038-R1042 VanDerWaalsContact C-CZ 3.5Å; G1038-R1042 WeakPolarHBondContact O-CB 3.41Å; G1038-R1042 WeakPolarHBondContact O-CG 3.36Å; G1038-R1042 PolarHBondContact O-N 3.02Å; G1038-R1042 PolarHBondContact O-NE 3.28Å; G1038-R1042 PolarHBondContact O-NH1 3.26Å; R1042-N1046 VanDerWaalsContact O-CB 3.28Å; R1042-N1046 WeakPolarHBondContact O-CB 3.3Å; R1042-N1046 PolarHBondContact O-N 2.94Å; R1042-S1057 PolarHBondContact NH1-O 3.25Å; R1042-L1059 PolarHBondContact NH1-O 2.95Å
1043K80.7Confident81.8Confident121 Ų12150.3 Ų50.353%0.52627%0.265SS..Hα-helixtrans-66.7-40.4170.8-69.1162.2-170.4166.60111.6E1039 E1040 L1041 S1047E1039-K1043 WeakPolarHBondContact O-CD 3.42Å; E1039-K1043 VanDerWaalsContact O-CG 3.27Å; E1039-K1043 WeakPolarHBondContact O-CG 3.46Å; E1039-K1043 PolarHBondContact O-N 3.43Å; E1039-K1043 VanDerWaalsContact OE1-CE 3.25Å; E1039-K1043 WeakPolarHBondContact OE1-CE 3.46Å; E1039-K1043 IonicContact OE1-NZ 3.56Å; E1039-K1043 PolarHBondContact OE1-NZ 2.86Å; E1040-K1043 WeakPolarHBondContact O-CB 3.47Å; E1040-K1043 PolarHBondContact O-N 2.89Å; L1041-K1043 VanDerWaalsContact C-N 3.27Å; L1041-K1043 PolarHBondContact O-N 3.01Å; K1043-S1047 PolarHBondContact O-N 2.92Å
1044M79.6Confident82.1Confident50 Ų5048.3 Ų48.325%0.24626%0.262CS..Hα-helixtrans-64.8-46.8175.7-171.3-168.3-6000112.3M1036 E1040 L1041 N1046 S1047 L1048 Q1110M1036-M1044 HydrophobicContact CE-CE 4.02Å; M1036-M1044 HydrophobicContact SD-CE 3.59Å; M1036-M1044 VanDerWaalsContact SD-CE 3.59Å; E1040-M1044 PolarHBondContact O-N 2.9Å; L1041-M1044 HydrophobicContact CD2-CE 4.27Å; L1041-M1044 CarbonylContact O-C 3.47Å; L1041-M1044 WeakPolarHBondContact O-CA 3.37Å; L1041-M1044 WeakPolarHBondContact O-CB 3.34Å; L1041-M1044 PolarHBondContact O-N 3.22Å; M1044-N1046 VanDerWaalsContact C-N 3.34Å; M1044-N1046 PolarHBondContact O-N 3.05Å; M1044-S1047 PolarHBondContact O-N 2.57Å; M1044-S1047 PolarHBondContact O-OG 2.87Å; M1044-L1048 PolarHBondContact O-N 2.82Å; M1044-Q1110 PolarHBondContact SD-NE2 2.77Å
1045F82.2Confident82.3Confident0 Ų046.9 Ų46.90%025%0.252CS..Hα-helixtrans-64.1-38.7177-56.9-33.7000111.7L1041 S1047 L1048 G1049 I1050 Y1052 L1059 Q1101 L1104 V1105L1041-F1045 HydrophobicContact CB-CE2 3.92Å; L1041-F1045 HydrophobicContact CB-CZ 4.15Å; L1041-F1045 VanDerWaalsContact O-CD2 3.24Å; L1041-F1045 WeakPolarHBondContact O-CD2 3.47Å; L1041-F1045 VanDerWaalsContact O-CG 3.23Å; L1041-F1045 WeakPolarHBondContact O-CG 3.41Å; L1041-F1045 PolarHBondContact O-N 3.4Å; F1045-S1047 VanDerWaalsContact C-N 3.3Å; F1045-S1047 PolarHBondContact O-N 2.86Å; F1045-L1048 CarbonylContact O-C 3.52Å; F1045-L1048 WeakPolarHBondContact O-CA 3.41Å; F1045-L1048 WeakPolarHBondContact O-CB 3.39Å; F1045-L1048 PolarHBondContact O-N 2.92Å; F1045-G1049 PolarHBondContact O-N 2.97Å; F1045-I1050 CarbonylContact C-O 3.57Å; F1045-I1050 HydrophobicContact CB-CB 4.4Å; F1045-I1050 PolarHBondContact O-N 3.41Å; F1045-Y1052 HydrophobicContact CB-CD2 3.94Å; F1045-Y1052 HydrophobicContact CB-CE2 3.81Å; F1045-Y1052 AromaticContact CD2-CD2 3.71Å; F1045-Y1052 HydrophobicContact CD2-CD2 3.71Å; F1045-Y1052 AromaticContact CD2-CE2 3.54Å; F1045-Y1052 HydrophobicContact CD2-CE2 3.54Å; F1045-Y1052 HydrophobicContact CE2-CE2 4.36Å; F1045-Y1052 HydrophobicContact CG-CD2 4.23Å; F1045-Y1052 AromaticContact CG-CE2 3.89Å; F1045-Y1052 HydrophobicContact CG-CE2 3.89Å; F1045-L1059 HydrophobicContact CE2-CD2 3.98Å; F1045-L1059 HydrophobicContact CZ-CD2 4.19Å; F1045-Q1101 HydrophobicContact CD2-CG 4.28Å; F1045-Q1101 HydrophobicContact CE2-CB 3.69Å; F1045-Q1101 HydrophobicContact CE2-CG 3.85Å; F1045-Q1101 HydrophobicContact CZ-CB 3.83Å; F1045-Q1101 HydrophobicContact CZ-CG 4.36Å; F1045-Q1101 WeakPolarHBondContact CZ-O 3.48Å; F1045-L1104 HydrophobicContact CD1-CB 4.46Å; F1045-L1104 HydrophobicContact CD1-CD1 4.12Å; F1045-L1104 HydrophobicContact CE1-CB 3.75Å; F1045-L1104 HydrophobicContact CE1-CD1 4.02Å; F1045-L1104 HydrophobicContact CZ-CB 4.5Å; F1045-V1105 HydrophobicContact CZ-CG2 4.2Å
1046N76.2Confident82.5Confident82 Ų8243.4 Ų43.444%0.43923%0.228SC..Hα-helixtrans-60.7-37.9174.7-172.720.5000112.1R1042 M1044 L1048 G1049 I1050 Q1051R1042-N1046 VanDerWaalsContact O-CB 3.28Å; R1042-N1046 WeakPolarHBondContact O-CB 3.3Å; R1042-N1046 PolarHBondContact O-N 2.94Å; M1044-N1046 VanDerWaalsContact C-N 3.34Å; M1044-N1046 PolarHBondContact O-N 3.05Å; N1046-L1048 VanDerWaalsContact C-N 3.28Å; N1046-L1048 PolarHBondContact O-N 2.96Å; N1046-G1049 WeakPolarHBondContact O-CA 3.23Å; N1046-G1049 PolarHBondContact O-N 2.98Å; N1046-I1050 VanDerWaalsContact CA-O 3.24Å; N1046-I1050 WeakPolarHBondContact CA-O 3.25Å; N1046-I1050 PolarHBondContact N-O 2.95Å; N1046-I1050 VanDerWaalsContact N-O 3.1Å; N1046-Q1051 WeakPolarHBondContact OD1-CG 3.26Å; N1046-Q1051 PolarHBondContact OD1-NE2 2.83Å
1047S67.1Low82.6Confident57 Ų5741.9 Ų41.940%0.39922%0.224SC..Hα-helixtrans-72.2-16.517464.40000114.9K1043 M1044 F1045 G1049K1043-S1047 PolarHBondContact O-N 2.92Å; M1044-S1047 PolarHBondContact O-N 2.57Å; M1044-S1047 PolarHBondContact O-OG 2.87Å; F1045-S1047 VanDerWaalsContact C-N 3.3Å; F1045-S1047 PolarHBondContact O-N 2.86Å; S1047-G1049 VanDerWaalsContact C-N 3.25Å
1048L67.4Low82.5Confident43 Ų4339.8 Ų39.823%0.22521%0.209CC..THydrogen-bonded Turntrans-85.70.2165.9-64174.4000112.3M1044 F1045 N1046M1044-L1048 PolarHBondContact O-N 2.82Å; F1045-L1048 CarbonylContact O-C 3.52Å; F1045-L1048 WeakPolarHBondContact O-CA 3.41Å; F1045-L1048 WeakPolarHBondContact O-CB 3.39Å; F1045-L1048 PolarHBondContact O-N 2.92Å; N1046-L1048 VanDerWaalsContact C-N 3.28Å; N1046-L1048 PolarHBondContact O-N 2.96Å
1049G69.2Low82.8Confident4 Ų439.7 Ų39.74%0.04121%0.209CC..THydrogen-bonded Turntrans93.9-0.2-17900000114.9I933 H934 F1045 N1046 S1047 Q1051I933-G1049 CarbonylContact C-O 3.29Å; H934-G1049 PolarHBondContact N-O 2.91Å; F1045-G1049 PolarHBondContact O-N 2.97Å; N1046-G1049 WeakPolarHBondContact O-CA 3.23Å; N1046-G1049 PolarHBondContact O-N 2.98Å; S1047-G1049 VanDerWaalsContact C-N 3.25Å; G1049-Q1051 PolarHBondContact O-NE2 2.82Å; G1049-Q1051 PolarHBondContact O-OE1 2.88Å
1050I78.7Confident83.1Confident8 Ų837.4 Ų37.44%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-97.5109.1-179.3-49.3175.2000110.7R932 F1045 N1046 Y1052 L1117R932-I1050 CarbonylContact O-C 3.58Å; R932-I1050 WeakPolarHBondContact O-CA 3.49Å; R932-I1050 WeakPolarHBondContact O-CG2 3.32Å; F1045-I1050 CarbonylContact C-O 3.57Å; F1045-I1050 HydrophobicContact CB-CB 4.4Å; F1045-I1050 PolarHBondContact O-N 3.41Å; N1046-I1050 VanDerWaalsContact CA-O 3.24Å; N1046-I1050 WeakPolarHBondContact CA-O 3.25Å; N1046-I1050 PolarHBondContact N-O 2.95Å; N1046-I1050 VanDerWaalsContact N-O 3.1Å; I1050-Y1052 HydrophobicContact CB-CE2 4.16Å; I1050-Y1052 HydrophobicContact CG2-CD1 4.25Å; I1050-Y1052 HydrophobicContact CG2-CD2 4.02Å; I1050-Y1052 HydrophobicContact CG2-CE1 3.76Å; I1050-Y1052 HydrophobicContact CG2-CE2 3.48Å; I1050-Y1052 VanDerWaalsContact CG2-CE2 3.48Å; I1050-Y1052 HydrophobicContact CG2-CG 4.41Å; I1050-L1117 HydrophobicContact CD1-CD1 3.85Å; I1050-L1117 HydrophobicContact CG1-CD1 3.42Å; I1050-L1117 VanDerWaalsContact CG1-CD1 3.42Å
1051Q84.7Confident83.5Confident29 Ų2933 Ų3314%0.13618%0.184CC..EExtended strand (participates in β ladder)trans-90.1120.7174.8-60.566.94600109.5D930 R932 N935 N1046 G1049D930-Q1051 VanDerWaalsContact O-O 3.08Å; R932-Q1051 HydrophobicContact CB-CB 4.08Å; R932-Q1051 HydrophobicContact CG-CB 4.32Å; R932-Q1051 PolarHBondContact N-O 2.98Å; R932-Q1051 PolarHBondContact O-N 2.85Å; N935-Q1051 VanDerWaalsContact CA-OE1 3.26Å; N1046-Q1051 WeakPolarHBondContact OD1-CG 3.26Å; N1046-Q1051 PolarHBondContact OD1-NE2 2.83Å; G1049-Q1051 PolarHBondContact O-NE2 2.82Å; G1049-Q1051 PolarHBondContact O-OE1 2.88Å
1052Y88Confident83.8Confident26 Ų2633.1 Ų33.110%0.10218%0.184CC..EExtended strand (participates in β ladder)trans-110.3107.6172.7-66-63.8000110D930 H931 F1045 I1050 F1056 D1097 Q1101D930-Y1052 CarbonylContact O-C 3.48Å; D930-Y1052 WeakPolarHBondContact O-CA 3.25Å; H931-Y1052 AromaticContact CD2-CE1 3.59Å; F1045-Y1052 HydrophobicContact CB-CD2 3.94Å; F1045-Y1052 HydrophobicContact CB-CE2 3.81Å; F1045-Y1052 AromaticContact CD2-CD2 3.71Å; F1045-Y1052 HydrophobicContact CD2-CD2 3.71Å; F1045-Y1052 AromaticContact CD2-CE2 3.54Å; F1045-Y1052 HydrophobicContact CD2-CE2 3.54Å; F1045-Y1052 HydrophobicContact CE2-CE2 4.36Å; F1045-Y1052 HydrophobicContact CG-CD2 4.23Å; F1045-Y1052 AromaticContact CG-CE2 3.89Å; F1045-Y1052 HydrophobicContact CG-CE2 3.89Å; I1050-Y1052 HydrophobicContact CB-CE2 4.16Å; I1050-Y1052 HydrophobicContact CG2-CD1 4.25Å; I1050-Y1052 HydrophobicContact CG2-CD2 4.02Å; I1050-Y1052 HydrophobicContact CG2-CE1 3.76Å; I1050-Y1052 HydrophobicContact CG2-CE2 3.48Å; I1050-Y1052 VanDerWaalsContact CG2-CE2 3.48Å; I1050-Y1052 HydrophobicContact CG2-CG 4.41Å; Y1052-F1056 HydrophobicContact CD1-CB 3.54Å; Y1052-F1056 HydrophobicContact CD1-CD1 4.1Å; Y1052-F1056 HydrophobicContact CD1-CG 4.06Å; Y1052-F1056 HydrophobicContact CE1-CB 4.43Å; Y1052-F1056 HydrophobicContact CE1-CD1 4.23Å; Y1052-F1056 HydrophobicContact CG-CB 4.14Å; Y1052-D1097 WeakPolarHBondContact CE1-OD2 3.49Å; Y1052-D1097 PolarHBondContact OH-OD2 2.77Å; Y1052-Q1101 HydrophobicContact CE1-CG 4.38Å; Y1052-Q1101 VanDerWaalsContact CE1-NE2 3.29Å; Y1052-Q1101 HydrophobicContact CE2-CG 3.65Å; Y1052-Q1101 VanDerWaalsContact CZ-CD 3.47Å; Y1052-Q1101 WeakPolarHBondContact OH-CG 3.41Å
1053G86.6Confident84.1Confident19 Ų1931.4 Ų31.420%0.19618%0.178CC..  trans-76.4-174.7174.700000113.4D930 A1055 F1056 S1057D930-G1053 PolarHBondContact O-N 3Å; G1053-A1055 VanDerWaalsContact C-N 3.31Å; G1053-A1055 PolarHBondContact O-N 2.93Å; G1053-F1056 CarbonylContact O-C 3.55Å; G1053-F1056 PolarHBondContact O-N 2.71Å; G1053-S1057 PolarHBondContact O-N 2.9Å
1054P86.5Confident84.3Confident81 Ų8127.3 Ų27.353%0.52616%0.164SC..G310 helixtrans-49.1-41.8-175.7-31.136.7000115.5D930 F1056 S1057 P1079 A1081D930-P1054 VanDerWaalsContact OD2-CD 3.29Å; D930-P1054 WeakPolarHBondContact OD2-CD 3.41Å; P1054-F1056 VanDerWaalsContact C-N 3.3Å; P1054-F1056 PolarHBondContact O-N 2.81Å; P1054-S1057 WeakPolarHBondContact O-CB 3.15Å; P1054-S1057 PolarHBondContact O-N 3.19Å; P1054-S1057 PolarHBondContact O-OG 2.65Å; P1054-P1079 VanDerWaalsContact O-CB 3.28Å; P1054-P1079 WeakPolarHBondContact O-CB 3.34Å; P1054-A1081 HydrophobicContact CB-CB 4.37Å
1055A87.4Confident84.2Confident1 Ų125.9 Ų25.91%0.00816%0.16CC..G310 helixtrans-65.8-30.4178.500000113.4W927 D930 G1053 P1079 I1082 A1094W927-A1055 HydrophobicContact CB-CB 3.8Å; D930-A1055 HydrophobicContact CB-CB 3.99Å; D930-A1055 VanDerWaalsContact OD2-CB 3.31Å; D930-A1055 WeakPolarHBondContact OD2-CB 3.3Å; D930-A1055 PolarHBondContact OD2-N 3.22Å; G1053-A1055 VanDerWaalsContact C-N 3.31Å; G1053-A1055 PolarHBondContact O-N 2.93Å; A1055-P1079 WeakPolarHBondContact O-CG 3.38Å; A1055-I1082 HydrophobicContact CB-CD1 4.18Å; A1055-I1082 HydrophobicContact CB-CG1 4.4Å; A1055-I1082 HydrophobicContact CB-CG2 3.7Å; A1055-I1082 WeakPolarHBondContact O-CD1 3.48Å; A1055-A1094 WeakPolarHBondContact O-CB 3.2Å
1056F90.9Very high83.5Confident0 Ų034.5 Ų34.50%019%0.192CC..G310 helixtrans-99.116.1178.6-74.1-101.6000113W927 D930 H931 P940 Y1052 G1053 P1054 G1058 A1094 D1097W927-F1056 AromaticContact CE3-CE2 3.67Å; W927-F1056 HydrophobicContact CE3-CE2 3.67Å; W927-F1056 AromaticContact CE3-CZ 4Å; W927-F1056 HydrophobicContact CE3-CZ 4Å; W927-F1056 AromaticContact CZ3-CE2 3.8Å; W927-F1056 HydrophobicContact CZ3-CE2 3.8Å; W927-F1056 AromaticContact CZ3-CZ 3.61Å; W927-F1056 HydrophobicContact CZ3-CZ 3.61Å; W927-F1056 WeakPolarHBondContact O-CE2 3.29Å; D930-F1056 HydrophobicContact CB-CD2 3.95Å; H931-F1056 HydrophobicContact CB-CD1 4.02Å; H931-F1056 HydrophobicContact CB-CD2 3.78Å; H931-F1056 HydrophobicContact CB-CE1 3.73Å; H931-F1056 HydrophobicContact CB-CE2 3.47Å; H931-F1056 VanDerWaalsContact CB-CE2 3.47Å; H931-F1056 HydrophobicContact CB-CG 4.05Å; H931-F1056 HydrophobicContact CB-CZ 3.45Å; H931-F1056 VanDerWaalsContact CB-CZ 3.45Å; H931-F1056 AromaticContact CD2-CE1 3.8Å; P940-F1056 HydrophobicContact CG-CE1 4.3Å; P940-F1056 HydrophobicContact CG-CZ 4.17Å; Y1052-F1056 HydrophobicContact CD1-CB 3.54Å; Y1052-F1056 HydrophobicContact CD1-CD1 4.1Å; Y1052-F1056 HydrophobicContact CD1-CG 4.06Å; Y1052-F1056 HydrophobicContact CE1-CB 4.43Å; Y1052-F1056 HydrophobicContact CE1-CD1 4.23Å; Y1052-F1056 HydrophobicContact CG-CB 4.14Å; G1053-F1056 CarbonylContact O-C 3.55Å; G1053-F1056 PolarHBondContact O-N 2.71Å; P1054-F1056 VanDerWaalsContact C-N 3.3Å; P1054-F1056 PolarHBondContact O-N 2.81Å; F1056-G1058 PolarHBondContact O-N 3.49Å; F1056-G1058 VanDerWaalsContact O-N 3.12Å; F1056-A1094 HydrophobicContact CD1-CB 3.8Å; F1056-A1094 HydrophobicContact CD2-CB 4.22Å; F1056-A1094 HydrophobicContact CE1-CB 3.81Å; F1056-A1094 HydrophobicContact CE2-CB 4.21Å; F1056-A1094 HydrophobicContact CG-CB 4.01Å; F1056-A1094 HydrophobicContact CZ-CB 4.02Å; F1056-D1097 HydrophobicContact CD1-CB 4.07Å; F1056-D1097 HydrophobicContact CE1-CB 3.96Å
1057S89.5Confident82.8Confident36 Ų3633.5 Ų33.525%0.25220%0.202SC..THydrogen-bonded Turntrans-7613.2175.166.90000114.9R1042 G1053 P1054 L1059 P1079R1042-S1057 PolarHBondContact NH1-O 3.25Å; G1053-S1057 PolarHBondContact O-N 2.9Å; P1054-S1057 WeakPolarHBondContact O-CB 3.15Å; P1054-S1057 PolarHBondContact O-N 3.19Å; P1054-S1057 PolarHBondContact O-OG 2.65Å; S1057-L1059 VanDerWaalsContact C-N 3.29Å; S1057-L1059 PolarHBondContact O-N 2.89Å; S1057-P1079 WeakPolarHBondContact OG-CB 3.49Å; S1057-P1079 WeakPolarHBondContact OG-CG 3.41Å
1058G90.1Very high82.6Confident1 Ų139 Ų391%0.0123%0.227CC..THydrogen-bonded Turntrans-71.8-13.7-167.400000116.3F1056 V1060 V1076 A1077 P1079F1056-G1058 PolarHBondContact O-N 3.49Å; F1056-G1058 VanDerWaalsContact O-N 3.12Å; G1058-V1060 PolarHBondContact O-N 2.82Å; G1058-V1076 WeakPolarHBondContact O-CA 3.29Å; G1058-A1077 CarbonylContact C-O 3.51Å; G1058-A1077 WeakPolarHBondContact CA-O 3.45Å; G1058-A1077 PolarHBondContact O-N 3.08Å; G1058-P1079 VanDerWaalsContact N-CG 3.33Å
1059L93Very high82.4Confident0 Ų040.4 Ų40.40%024%0.237CC..EExtended strand (participates in β ladder)trans-77.4110.4166.2-168.457.6000108.1G1038 L1041 R1042 F1045 S1057 V1062 A1074 V1076 A1098 Q1101G1038-L1059 VanDerWaalsContact CA-O 3.3Å; G1038-L1059 WeakPolarHBondContact CA-O 3.23Å; L1041-L1059 HydrophobicContact CB-CD2 4.43Å; L1041-L1059 HydrophobicContact CD1-CD2 3.57Å; L1041-L1059 HydrophobicContact CD1-CG 3.92Å; R1042-L1059 PolarHBondContact NH1-O 2.95Å; F1045-L1059 HydrophobicContact CE2-CD2 3.98Å; F1045-L1059 HydrophobicContact CZ-CD2 4.19Å; S1057-L1059 VanDerWaalsContact C-N 3.29Å; S1057-L1059 PolarHBondContact O-N 2.89Å; L1059-V1062 HydrophobicContact CD1-CG1 3.77Å; L1059-V1062 HydrophobicContact CD2-CG1 4.05Å; L1059-V1062 HydrophobicContact CG-CG1 4.15Å; L1059-A1074 HydrophobicContact CD1-CB 3.63Å; L1059-V1076 HydrophobicContact CD1-CG1 4.1Å; L1059-A1098 HydrophobicContact CB-CB 4.1Å; L1059-Q1101 HydrophobicContact CD2-CB 3.84Å
1060V92.4Very high82.6Confident70 Ų7043.3 Ų43.342%0.42425%0.254SS..EExtended strand (participates in β ladder)trans-87.6-46.4-173178.90000110.6G1038 G1058 E1075 A1077G1038-V1060 WeakPolarHBondContact CA-O 3.23Å; G1038-V1060 PolarHBondContact N-O 2.76Å; G1058-V1060 PolarHBondContact O-N 2.82Å; V1060-E1075 HydrophobicContact CB-CB 4.08Å; V1060-E1075 PolarHBondContact N-O 3.5Å; V1060-A1077 HydrophobicContact CG2-CB 3.76Å
1061A92.6Very high83.1Confident9 Ų943.8 Ų43.87%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-155.6168.1172.700000109.4M1036 E1075M1036-A1061 CarbonylContact O-C 3.58Å; M1036-A1061 VanDerWaalsContact O-CA 3.31Å; M1036-A1061 WeakPolarHBondContact O-CA 3.39Å; A1061-E1075 HydrophobicContact CB-CB 4.27Å; A1061-E1075 PolarHBondContact N-O 3.22Å; A1061-E1075 PolarHBondContact O-N 2.9Å
1062V92.2Very high83.3Confident1 Ų142.4 Ų42.41%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-132.5141.4164-63.80000110.2S1035 M1036 L1041 L1059 V1072 A1074 V1105S1035-V1062 CarbonylContact C-O 3.19Å; S1035-V1062 VanDerWaalsContact CA-O 3.28Å; S1035-V1062 WeakPolarHBondContact CA-O 3.48Å; M1036-V1062 HydrophobicContact CB-CG2 4.15Å; M1036-V1062 PolarHBondContact N-O 3.31Å; M1036-V1062 PolarHBondContact O-N 2.97Å; L1041-V1062 HydrophobicContact CD1-CB 4.05Å; L1041-V1062 HydrophobicContact CD1-CG1 3.55Å; L1041-V1062 HydrophobicContact CD1-CG2 3.52Å; L1041-V1062 HydrophobicContact CD2-CG2 3.92Å; L1041-V1062 HydrophobicContact CG-CG2 4.23Å; L1059-V1062 HydrophobicContact CD1-CG1 3.77Å; L1059-V1062 HydrophobicContact CD2-CG1 4.05Å; L1059-V1062 HydrophobicContact CG-CG1 4.15Å; V1062-V1072 HydrophobicContact CB-CG1 3.86Å; V1062-V1072 HydrophobicContact CG1-CG1 4.24Å; V1062-A1074 HydrophobicContact CG1-CB 3.98Å; V1062-V1105 HydrophobicContact CG1-CG2 4.3Å; V1062-V1105 HydrophobicContact CG2-CB 4.34Å; V1062-V1105 HydrophobicContact CG2-CG1 3.81Å; V1062-V1105 HydrophobicContact CG2-CG2 4.22Å
1063H90.6Very high83.6Confident21 Ų2141.2 Ų41.210%0.09725%0.246CC..EExtended strand (participates in β ladder)trans-114.3128.9-178.9-57.3-66.6000108.4H1032 S1035 L1073 E1075H1032-H1063 HydrophobicContact CB-CB 3.61Å; H1032-H1063 PolarHBondContact CD2-O 2.66Å; H1032-H1063 WeakPolarHBondContact O-CB 3.33Å; S1035-H1063 VanDerWaalsContact CB-ND1 3.25Å; S1035-H1063 WeakPolarHBondContact CB-ND1 3.47Å; S1035-H1063 PolarHBondContact OG-CE1 2.98Å; S1035-H1063 PolarHBondContact OG-ND1 2.96Å; H1063-L1073 HydrophobicContact CB-CB 4.19Å; H1063-L1073 HydrophobicContact CB-CD2 4.48Å; H1063-L1073 WeakPolarHBondContact CB-O 3.48Å; H1063-L1073 PolarHBondContact N-O 2.86Å; H1063-L1073 PolarHBondContact O-N 3.21Å; H1063-E1075 IonicContact CD2-OE1 3.41Å; H1063-E1075 IonicContact CE1-OE1 2.8Å; H1063-E1075 VanDerWaalsContact NE2-CD 3.34Å; H1063-E1075 IonicContact NE2-OE1 3.61Å; H1063-E1075 PolarHBondContact NE2-OE1 3.45Å
1064T85.5Confident84Confident36 Ų3640.3 Ų40.322%0.22124%0.237CC..EExtended strand (participates in β ladder)trans-119.8138.8-176.656.60000110.6H1032 E1033 S1034 V1072H1032-T1064 CarbonylContact C-O 3.56Å; E1033-T1064 PolarHBondContact N-O 3.46Å; S1034-T1064 WeakPolarHBondContact CB-O 3.15Å; S1034-T1064 WeakPolarHBondContact CB-OG1 3Å; S1034-T1064 PolarHBondContact N-O 3.46Å; S1034-T1064 PolarHBondContact O-N 3.22Å; S1034-T1064 PolarHBondContact O-OG1 3.07Å; T1064-V1072 HydrophobicContact CG2-CG1 4.17Å; T1064-V1072 HydrophobicContact CG2-CG2 4.32Å
1065A78.4Confident84.3Confident20 Ų2038.6 Ų38.617%0.16522%0.222CC..  trans-81154.8-179.100000112.2A1031 V1069A1031-A1065 WeakPolarHBondContact O-CA 3Å; A1031-A1065 VanDerWaalsContact O-CB 3.25Å; A1031-A1065 WeakPolarHBondContact O-CB 3.47Å; A1065-V1069 HydrophobicContact CB-CB 3.6Å; A1065-V1069 HydrophobicContact CB-CG1 3.52Å; A1065-V1069 HydrophobicContact CB-CG2 4.22Å
1066R66.7Low84.6Confident180 Ų18038.6 Ų38.668%0.67922%0.221SC*.SBendtrans-102.8108.4174.6-67.8-172.4-179.3153.2-9.9110.7E1033 S1034E1033-R1066 VanDerWaalsContact OE2-CD 3.29Å; E1033-R1066 WeakPolarHBondContact OE2-CD 3.34Å; E1033-R1066 IonicContact OE2-CZ 2.66Å; E1033-R1066 IonicContact OE2-NE 3.45Å; E1033-R1066 IonicContact OE2-NH1 2.72Å; E1033-R1066 PolarHBondContact OE2-NH1 2.8Å; S1034-R1066 PolarHBondContact OG-NE 2.91Å; S1034-R1066 VanDerWaalsContact OG-NE 3.07Å
1067G62.3Low84.6Confident61 Ų6140.1 Ų40.163%0.62923%0.234SC*.SBendtrans132.1-157.9178.400000111.8V1069G1067-V1069 PolarHBondContact O-N 3.33Å
1068D62.4Low84.4Confident173 Ų17338.8 Ų38.893%0.92522%0.224SC*.SBendtrans-77.530.1-176.9-55-42000113.6
1069V63.2Low84Confident73 Ų7339.2 Ų39.244%0.44223%0.227SC..  trans-93.7112.9-177.2173.60000109.4A1065 G1067 T1071A1065-V1069 HydrophobicContact CB-CB 3.6Å; A1065-V1069 HydrophobicContact CB-CG1 3.52Å; A1065-V1069 HydrophobicContact CB-CG2 4.22Å; G1067-V1069 PolarHBondContact O-N 3.33Å; V1069-T1071 VanDerWaalsContact CG1-OG1 3.25Å; V1069-T1071 WeakPolarHBondContact CG1-OG1 3.32Å; V1069-T1071 PolarHBondContact O-N 2.74Å; V1069-T1071 VanDerWaalsContact O-N 3.14Å
1070T72.3Confident83.1Confident64 Ų6442 Ų4239%0.39326%0.256SS..  trans-87.336-173.357.10000114.1H1106 V1142T1070-H1106 VanDerWaalsContact C-NE2 3.28Å; T1070-H1106 VanDerWaalsContact CA-NE2 3.33Å; T1070-H1106 WeakPolarHBondContact CA-NE2 3.4Å; T1070-H1106 PolarHBondContact O-NE2 2.84Å; T1070-V1142 PolarHBondContact O-N 2.87Å
1071T89Confident82.2Confident19 Ų1942 Ų4212%0.11726%0.263CS..EExtended strand (participates in β ladder)trans-129.6151.2-177.256.20000114.2H1032 V1069 L1139 A1140 R1141H1032-T1071 PolarHBondContact NE2-OG1 2.83Å; V1069-T1071 VanDerWaalsContact CG1-OG1 3.25Å; V1069-T1071 WeakPolarHBondContact CG1-OG1 3.32Å; V1069-T1071 PolarHBondContact O-N 2.74Å; V1069-T1071 VanDerWaalsContact O-N 3.14Å; T1071-L1139 HydrophobicContact CG2-CD1 4.3Å; T1071-L1139 HydrophobicContact CG2-CG 4.47Å; T1071-A1140 CarbonylContact C-O 3.59Å; T1071-A1140 WeakPolarHBondContact CA-O 3.46Å; T1071-A1140 WeakPolarHBondContact CB-O 3.38Å; T1071-R1141 HydrophobicContact CG2-CB 3.93Å; T1071-R1141 HydrophobicContact CG2-CG 3.89Å
1072V90.1Very high81.6Confident0 Ų041.7 Ų41.70%026%0.26CS..EExtended strand (participates in β ladder)trans-122.1131.2169.9-175.90000107.8V1062 T1064 H1106 A1140V1062-V1072 HydrophobicContact CB-CG1 3.86Å; V1062-V1072 HydrophobicContact CG1-CG1 4.24Å; T1064-V1072 HydrophobicContact CG2-CG1 4.17Å; T1064-V1072 HydrophobicContact CG2-CG2 4.32Å; V1072-H1106 HydrophobicContact CG2-CB 3.87Å; V1072-A1140 HydrophobicContact CB-CB 4.38Å; V1072-A1140 PolarHBondContact N-O 3.09Å; V1072-A1140 PolarHBondContact O-N 2.95Å
1073L93.9Very high80.7Confident1 Ų148.1 Ų48.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-101.8101174.1173.870000108.7L1028 H1032 H1063 Y1137 L1139 F1158L1028-L1073 HydrophobicContact CB-CD2 4.07Å; L1028-L1073 HydrophobicContact CD1-CD1 4.31Å; H1032-L1073 HydrophobicContact CB-CB 4.21Å; H1032-L1073 HydrophobicContact CB-CD2 4.46Å; H1063-L1073 HydrophobicContact CB-CB 4.19Å; H1063-L1073 HydrophobicContact CB-CD2 4.48Å; H1063-L1073 WeakPolarHBondContact CB-O 3.48Å; H1063-L1073 PolarHBondContact N-O 2.86Å; H1063-L1073 PolarHBondContact O-N 3.21Å; L1073-Y1137 HydrophobicContact CD1-CD1 4.06Å; L1073-Y1137 HydrophobicContact CD1-CG 4.32Å; L1073-Y1137 HydrophobicContact CG-CD1 4.33Å; L1073-L1139 HydrophobicContact CB-CD1 4.35Å; L1073-F1158 HydrophobicContact CD1-CE2 4.41Å; L1073-F1158 HydrophobicContact CD1-CZ 3.7Å
1074A94.1Very high79.8Confident0 Ų052.1 Ų52.10%032%0.315CS..EExtended strand (participates in β ladder)trans-80.2138.2173.800000111.7L1059 V1062 V1076 Y1137 C1138L1059-A1074 HydrophobicContact CD1-CB 3.63Å; V1062-A1074 HydrophobicContact CG1-CB 3.98Å; A1074-V1076 HydrophobicContact CB-CG1 4.15Å; A1074-Y1137 CarbonylContact O-C 3.55Å; A1074-Y1137 VanDerWaalsContact O-CA 3.24Å; A1074-Y1137 WeakPolarHBondContact O-CA 3.37Å; A1074-C1138 HydrophobicContact CB-CB 4.2Å; A1074-C1138 PolarHBondContact N-O 2.88Å; A1074-C1138 PolarHBondContact O-N 2.94Å
1075E94.3Very high79.2Confident45 Ų4553.3 Ų53.321%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-87.5123.3157.4-80175.4-163.700108.6V1060 A1061 H1063 H1136 Y1137V1060-E1075 HydrophobicContact CB-CB 4.08Å; V1060-E1075 PolarHBondContact N-O 3.5Å; A1061-E1075 HydrophobicContact CB-CB 4.27Å; A1061-E1075 PolarHBondContact N-O 3.22Å; A1061-E1075 PolarHBondContact O-N 2.9Å; H1063-E1075 IonicContact CD2-OE1 3.41Å; H1063-E1075 IonicContact CE1-OE1 2.8Å; H1063-E1075 VanDerWaalsContact NE2-CD 3.34Å; H1063-E1075 IonicContact NE2-OE1 3.61Å; H1063-E1075 PolarHBondContact NE2-OE1 3.45Å; E1075-H1136 WeakPolarHBondContact CA-O 3.41Å; E1075-Y1137 HydrophobicContact CG-CD1 3.9Å; E1075-Y1137 HydrophobicContact CG-CE1 3.54Å
1076V94.1Very high79.1Confident0 Ų054.1 Ų54.10%032%0.318CS..EExtended strand (participates in β ladder)trans-124.3142-178.8-65.60000110.4G1058 L1059 A1074 L1095 A1098 H1136 C1138G1058-V1076 WeakPolarHBondContact O-CA 3.29Å; L1059-V1076 HydrophobicContact CD1-CG1 4.1Å; A1074-V1076 HydrophobicContact CB-CG1 4.15Å; V1076-L1095 HydrophobicContact CB-CD1 3.98Å; V1076-L1095 HydrophobicContact CG2-CD1 4.16Å; V1076-A1098 HydrophobicContact CG1-CB 4.33Å; V1076-H1136 PolarHBondContact N-O 3.28Å; V1076-H1136 CarbonylContact O-C 3.58Å; V1076-H1136 WeakPolarHBondContact O-CA 3.16Å; V1076-C1138 HydrophobicContact CG1-CB 4.3Å; V1076-C1138 HydrophobicContact CG2-CB 4.42Å
1077A89.2Confident79.3Confident33 Ų3348 Ų4827%0.27330%0.303SS..  trans-153.9144.2173.500000109.6G1058 V1060 P1079G1058-A1077 CarbonylContact C-O 3.51Å; G1058-A1077 WeakPolarHBondContact CA-O 3.45Å; G1058-A1077 PolarHBondContact O-N 3.08Å; V1060-A1077 HydrophobicContact CG2-CB 3.76Å; A1077-P1079 WeakPolarHBondContact O-CD 3.34Å
1078L85.2Confident80Confident7 Ų745.9 Ų45.94%0.03728%0.279CS..  trans-71.3124.1178.4-166.567.9000110.9I1082 R1083 Q1086 H1092 L1095L1078-I1082 HydrophobicContact CD1-CD1 3.56Å; L1078-I1082 HydrophobicContact CD1-CG1 4.08Å; L1078-I1082 HydrophobicContact CG-CD1 4.22Å; L1078-I1082 HydrophobicContact CG-CG1 4.17Å; L1078-R1083 PolarHBondContact O-NE 3.09Å; L1078-R1083 PolarHBondContact O-NH2 2.99Å; L1078-Q1086 HydrophobicContact CD2-CB 3.45Å; L1078-Q1086 VanDerWaalsContact CD2-CB 3.45Å; L1078-Q1086 HydrophobicContact CD2-CG 3.51Å; L1078-H1092 HydrophobicContact CD1-CB 3.86Å; L1078-H1092 HydrophobicContact CD2-CB 4.36Å; L1078-L1095 HydrophobicContact CD1-CB 4.14Å
1079P82.7Confident81.1Confident10 Ų1038.4 Ų38.47%0.06524%0.238CC..  trans-60145.4-178-30.540.2000113.8P1054 A1055 S1057 G1058 A1077 A1081 I1082 R1083P1054-P1079 VanDerWaalsContact O-CB 3.28Å; P1054-P1079 WeakPolarHBondContact O-CB 3.34Å; A1055-P1079 WeakPolarHBondContact O-CG 3.38Å; S1057-P1079 WeakPolarHBondContact OG-CB 3.49Å; S1057-P1079 WeakPolarHBondContact OG-CG 3.41Å; G1058-P1079 VanDerWaalsContact N-CG 3.33Å; A1077-P1079 WeakPolarHBondContact O-CD 3.34Å; P1079-A1081 PolarHBondContact O-N 2.8Å; P1079-A1081 VanDerWaalsContact O-N 3.09Å; P1079-I1082 HydrophobicContact CB-CG1 4.34Å; P1079-I1082 PolarHBondContact O-N 3.35Å; P1079-R1083 PolarHBondContact O-N 3.22Å
1080G74.8Confident82Confident59 Ų5936.1 Ų36.161%0.60823%0.227SC*.THydrogen-bonded Turntrans-56.1-30-177.600000114.3I1082G1080-I1082 PolarHBondContact O-N 3.09Å
1081A72.6Confident82.6Confident69 Ų6933.2 Ų33.257%0.5721%0.209SC*.THydrogen-bonded Turntrans-64.1-23.217900000114.6P1054 P1079P1054-A1081 HydrophobicContact CB-CB 4.37Å; P1079-A1081 PolarHBondContact O-N 2.8Å; P1079-A1081 VanDerWaalsContact O-N 3.09Å
1082I79Confident82.7Confident3 Ų332.4 Ų32.42%0.01520%0.204CC..THydrogen-bonded Turntrans-1285.5-178.152.2163.4000113W927 A1055 L1078 P1079 G1080 S1084 Q1085 H1092 A1094W927-I1082 HydrophobicContact CB-CG2 3.68Å; W927-I1082 HydrophobicContact CG-CG2 4.12Å; A1055-I1082 HydrophobicContact CB-CD1 4.18Å; A1055-I1082 HydrophobicContact CB-CG1 4.4Å; A1055-I1082 HydrophobicContact CB-CG2 3.7Å; A1055-I1082 WeakPolarHBondContact O-CD1 3.48Å; L1078-I1082 HydrophobicContact CD1-CD1 3.56Å; L1078-I1082 HydrophobicContact CD1-CG1 4.08Å; L1078-I1082 HydrophobicContact CG-CD1 4.22Å; L1078-I1082 HydrophobicContact CG-CG1 4.17Å; P1079-I1082 HydrophobicContact CB-CG1 4.34Å; P1079-I1082 PolarHBondContact O-N 3.35Å; G1080-I1082 PolarHBondContact O-N 3.09Å; I1082-S1084 PolarHBondContact O-N 3.31Å; I1082-Q1085 WeakPolarHBondContact O-CB 3.3Å; I1082-Q1085 PolarHBondContact O-N 3.27Å; I1082-H1092 VanDerWaalsContact CD1-CE1 3.41Å; I1082-H1092 WeakPolarHBondContact CD1-CE1 3.3Å; I1082-A1094 HydrophobicContact CD1-CB 3.69Å
1083R74.8Confident82.9Confident137 Ų13732.4 Ų32.452%0.51720%0.204SC..G310 helixtrans-62.3-29.4-174.7-166.9173.5-64.3168.3-1.4113.5L1078 P1079 Q1085 Q1086L1078-R1083 PolarHBondContact O-NE 3.09Å; L1078-R1083 PolarHBondContact O-NH2 2.99Å; P1079-R1083 PolarHBondContact O-N 3.22Å; R1083-Q1085 PolarHBondContact O-N 3.37Å; R1083-Q1086 WeakPolarHBondContact O-CB 3.34Å; R1083-Q1086 PolarHBondContact O-N 3.26Å
1084S70.4Confident82.8Confident105 Ų10532.3 Ų32.373%0.73420%0.204SC*.G310 helixtrans-65.4-17.5172.148.90000114.2I1082I1082-S1084 PolarHBondContact O-N 3.31Å
1085Q74Confident82.8Confident61 Ų6132.4 Ų32.429%0.28520%0.204SC..G310 helixtrans-93.20.8178.5-50.9-173.323.400112.9I1082 R1083 S1087 A1088 Y1089I1082-Q1085 WeakPolarHBondContact O-CB 3.3Å; I1082-Q1085 PolarHBondContact O-N 3.27Å; R1083-Q1085 PolarHBondContact O-N 3.37Å; Q1085-S1087 PolarHBondContact O-N 3.23Å; Q1085-S1087 VanDerWaalsContact O-N 3.17Å; Q1085-A1088 PolarHBondContact O-N 3.16Å; Q1085-Y1089 HydrophobicContact CB-CE2 4.14Å; Q1085-Y1089 VanDerWaalsContact O-CD2 3.28Å; Q1085-Y1089 WeakPolarHBondContact O-CD2 3.41Å; Q1085-Y1089 WeakPolarHBondContact O-CE2 3.49Å
1086Q76.2Confident82.8Confident36 Ų3630.2 Ų30.217%0.16819%0.194CC..G310 helixtrans-62.7-24.8-172.2-163.3162.512.300114.3L1078 R1083 A1088 T1132 R1133L1078-Q1086 HydrophobicContact CD2-CB 3.45Å; L1078-Q1086 VanDerWaalsContact CD2-CB 3.45Å; L1078-Q1086 HydrophobicContact CD2-CG 3.51Å; R1083-Q1086 WeakPolarHBondContact O-CB 3.34Å; R1083-Q1086 PolarHBondContact O-N 3.26Å; Q1086-A1088 VanDerWaalsContact C-N 3.32Å; Q1086-T1132 PolarHBondContact NE2-O 3.01Å; Q1086-R1133 HydrophobicContact CG-CG 4.19Å
1087S71.5Confident82.7Confident52 Ų5230.4 Ų30.436%0.36420%0.195SC..G310 helixtrans-71.6-24.117646.60000113.6Q1085 Y1089Q1085-S1087 PolarHBondContact O-N 3.23Å; Q1085-S1087 VanDerWaalsContact O-N 3.17Å; S1087-Y1089 VanDerWaalsContact C-N 3.29Å; S1087-Y1089 PolarHBondContact O-N 3.45Å
1088A76.9Confident82.9Confident16 Ų1628.9 Ų28.913%0.13218%0.182CC..G310 helixtrans-85.47.4-169.400000115.6H887 H898 P899 Q1085 Q1086H887-A1088 VanDerWaalsContact CE1-CB 3.46Å; H887-A1088 WeakPolarHBondContact CE1-CB 3.23Å; H887-A1088 WeakPolarHBondContact NE2-CA 3.38Å; H898-A1088 PolarHBondContact CD2-O 3.17Å; P899-A1088 VanDerWaalsContact CD-O 3.31Å; P899-A1088 WeakPolarHBondContact CD-O 2.96Å; P899-A1088 HydrophobicContact CG-CB 3.84Å; Q1085-A1088 PolarHBondContact O-N 3.16Å; Q1086-A1088 VanDerWaalsContact C-N 3.32Å
1089Y84.5Confident83.3Confident17 Ų1728.6 Ų28.67%0.06718%0.18CC..SBendtrans-144.9144.2-176.1-52.4-88.4000109.6H898 P899 L900 W927 E946 Q1085 S1087 S1091 H1092 P1093H898-Y1089 AromaticContact NE2-CD1 3.28Å; H898-Y1089 VanDerWaalsContact NE2-CD1 3.28Å; H898-Y1089 WeakPolarHBondContact NE2-CD1 3.46Å; H898-Y1089 AromaticContact NE2-CE1 3.75Å; P899-Y1089 HydrophobicContact CB-CE1 4.07Å; P899-Y1089 HydrophobicContact CG-CE1 4.08Å; L900-Y1089 HydrophobicContact CD1-CE1 4.2Å; L900-Y1089 HydrophobicContact CG-CE1 4.15Å; W927-Y1089 HydrophobicContact CZ2-CE1 4.41Å; W927-Y1089 AromaticContact CZ2-CZ 3.99Å; W927-Y1089 VanDerWaalsContact CZ2-OH 3.29Å; W927-Y1089 WeakPolarHBondContact CZ2-OH 3.1Å; E946-Y1089 HydrophobicContact CG-CD1 3.92Å; E946-Y1089 WeakPolarHBondContact OE1-CA 3.47Å; Q1085-Y1089 HydrophobicContact CB-CE2 4.14Å; Q1085-Y1089 VanDerWaalsContact O-CD2 3.28Å; Q1085-Y1089 WeakPolarHBondContact O-CD2 3.41Å; Q1085-Y1089 WeakPolarHBondContact O-CE2 3.49Å; S1087-Y1089 VanDerWaalsContact C-N 3.29Å; S1087-Y1089 PolarHBondContact O-N 3.45Å; Y1089-S1091 VanDerWaalsContact C-N 3.32Å; Y1089-H1092 HydrophobicContact CD2-CB 4.07Å; Y1089-H1092 AromaticContact CD2-CD2 3.27Å; Y1089-H1092 WeakPolarHBondContact CD2-CD2 3.34Å; Y1089-H1092 AromaticContact CD2-CG 3.83Å; Y1089-H1092 AromaticContact CD2-NE2 4Å; Y1089-H1092 AromaticContact CE2-CD2 3.23Å; Y1089-H1092 WeakPolarHBondContact CE2-CD2 3.23Å; Y1089-H1092 AromaticContact CE2-NE2 3.45Å; Y1089-H1092 WeakPolarHBondContact CE2-NE2 3.25Å; Y1089-H1092 HydrophobicContact CG-CB 4.35Å; Y1089-P1093 VanDerWaalsContact CD1-CD 3.45Å; Y1089-P1093 HydrophobicContact CD1-CG 4.12Å; Y1089-P1093 HydrophobicContact CE1-CG 4.18Å
1090A81.7Confident83.8Confident24 Ų2428.4 Ų28.420%0.19818%0.179CC..SBendtrans-67-36.3170.600000111.2E946 N1128E946-A1090 PolarHBondContact OE1-N 2.83Å; A1090-N1128 PolarHBondContact O-ND2 2.86Å
1091S86Confident84.5Confident3 Ų325.6 Ų25.62%0.02115%0.15CC..SBendtrans-142.4120.4154.7-175.30000109.9E946 Y1089 T1132E946-S1091 PolarHBondContact OE2-N 2.79Å; E946-S1091 VanDerWaalsContact OE2-O 3.11Å; Y1089-S1091 VanDerWaalsContact C-N 3.32Å; S1091-T1132 PolarHBondContact OG-OG1 3.43Å
1092H91.4Very high85.4Confident2 Ų222.3 Ų22.31%0.00912%0.123CC..  trans-55.1128.1-177.4-170.9-64.9000110.1W927 L1078 I1082 Y1089 A1094 L1095 L1096W927-H1092 AromaticContact CE3-CE1 3.79Å; W927-H1092 AromaticContact CH2-CE1 3.81Å; W927-H1092 AromaticContact CZ3-CE1 3.64Å; L1078-H1092 HydrophobicContact CD1-CB 3.86Å; L1078-H1092 HydrophobicContact CD2-CB 4.36Å; I1082-H1092 VanDerWaalsContact CD1-CE1 3.41Å; I1082-H1092 WeakPolarHBondContact CD1-CE1 3.3Å; Y1089-H1092 HydrophobicContact CD2-CB 4.07Å; Y1089-H1092 AromaticContact CD2-CD2 3.27Å; Y1089-H1092 WeakPolarHBondContact CD2-CD2 3.34Å; Y1089-H1092 AromaticContact CD2-CG 3.83Å; Y1089-H1092 AromaticContact CD2-NE2 4Å; Y1089-H1092 AromaticContact CE2-CD2 3.23Å; Y1089-H1092 WeakPolarHBondContact CE2-CD2 3.23Å; Y1089-H1092 AromaticContact CE2-NE2 3.45Å; Y1089-H1092 WeakPolarHBondContact CE2-NE2 3.25Å; Y1089-H1092 HydrophobicContact CG-CB 4.35Å; H1092-A1094 VanDerWaalsContact C-N 3.26Å; H1092-A1094 PolarHBondContact ND1-N 3.33Å; H1092-A1094 PolarHBondContact O-N 2.92Å; H1092-L1095 HydrophobicContact CB-CB 4.47Å; H1092-L1095 WeakPolarHBondContact O-CA 3.13Å; H1092-L1095 VanDerWaalsContact O-CB 3.31Å; H1092-L1095 WeakPolarHBondContact O-CB 3.21Å; H1092-L1095 PolarHBondContact O-N 2.82Å; H1092-L1096 PolarHBondContact O-N 3.19Å
1093P93.9Very high85.8Confident0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-55.2-36.6-169.6-31.936.5000114.7L900 W927 A942 A943 E946 Y1089 L1095 L1096 D1097L900-P1093 HydrophobicContact CD1-CG 3.78Å; W927-P1093 HydrophobicContact CH2-CB 3.88Å; W927-P1093 HydrophobicContact CH2-CG 3.89Å; W927-P1093 HydrophobicContact CZ3-CB 4.27Å; A942-P1093 WeakPolarHBondContact CB-O 3.38Å; A943-P1093 HydrophobicContact CB-CB 4.01Å; A943-P1093 HydrophobicContact CB-CG 4.19Å; E946-P1093 HydrophobicContact CB-CG 4.04Å; E946-P1093 HydrophobicContact CG-CG 4.12Å; Y1089-P1093 VanDerWaalsContact CD1-CD 3.45Å; Y1089-P1093 HydrophobicContact CD1-CG 4.12Å; Y1089-P1093 HydrophobicContact CE1-CG 4.18Å; P1093-L1095 VanDerWaalsContact C-N 3.33Å; P1093-L1095 PolarHBondContact O-N 2.87Å; P1093-L1096 PolarHBondContact O-N 2.99Å; P1093-D1097 WeakPolarHBondContact O-CB 3.44Å; P1093-D1097 PolarHBondContact O-N 3.07Å
1094A92.2Very high86.2Confident0 Ų016.3 Ų16.30%010%0.101CC..Hα-helixtrans-64.6-25.917300000115.6W927 A1055 F1056 I1082 H1092 A1098W927-A1094 HydrophobicContact CZ3-CB 4.46Å; A1055-A1094 WeakPolarHBondContact O-CB 3.2Å; F1056-A1094 HydrophobicContact CD1-CB 3.8Å; F1056-A1094 HydrophobicContact CD2-CB 4.22Å; F1056-A1094 HydrophobicContact CE1-CB 3.81Å; F1056-A1094 HydrophobicContact CE2-CB 4.21Å; F1056-A1094 HydrophobicContact CG-CB 4.01Å; F1056-A1094 HydrophobicContact CZ-CB 4.02Å; I1082-A1094 HydrophobicContact CD1-CB 3.69Å; H1092-A1094 VanDerWaalsContact C-N 3.26Å; H1092-A1094 PolarHBondContact ND1-N 3.33Å; H1092-A1094 PolarHBondContact O-N 2.92Å; A1094-A1098 WeakPolarHBondContact O-CB 3.19Å; A1094-A1098 PolarHBondContact O-N 2.73Å; A1094-A1098 VanDerWaalsContact O-N 3.09Å
1095L93.6Very high86.7Confident1 Ų111.8 Ų11.81%0.0057%0.068CC..Hα-helixtrans-77.6-44.7172.4178.767.8000110.9V1076 L1078 H1092 P1093 D1097 A1098 C1099 A1135V1076-L1095 HydrophobicContact CB-CD1 3.98Å; V1076-L1095 HydrophobicContact CG2-CD1 4.16Å; L1078-L1095 HydrophobicContact CD1-CB 4.14Å; H1092-L1095 HydrophobicContact CB-CB 4.47Å; H1092-L1095 WeakPolarHBondContact O-CA 3.13Å; H1092-L1095 VanDerWaalsContact O-CB 3.31Å; H1092-L1095 WeakPolarHBondContact O-CB 3.21Å; H1092-L1095 PolarHBondContact O-N 2.82Å; P1093-L1095 VanDerWaalsContact C-N 3.33Å; P1093-L1095 PolarHBondContact O-N 2.87Å; L1095-D1097 VanDerWaalsContact C-N 3.3Å; L1095-D1097 PolarHBondContact O-N 3.34Å; L1095-A1098 WeakPolarHBondContact O-CB 3.01Å; L1095-A1098 PolarHBondContact O-N 3.02Å; L1095-C1099 PolarHBondContact O-N 3.23Å; L1095-C1099 PolarHBondContact O-SG 2.96Å; L1095-A1135 HydrophobicContact CD2-CB 4.1Å
1096L93.5Very high87.1Confident0 Ų09.2 Ų9.20%06%0.057CC..Hα-helixtrans-65.8-35175-177.761.2000111.4A942 C945 H1092 P1093 C1099 F1100 L1166 V1168A942-L1096 HydrophobicContact CB-CB 4.04Å; A942-L1096 HydrophobicContact CB-CD2 4.19Å; A942-L1096 HydrophobicContact CB-CG 4Å; C945-L1096 HydrophobicContact CB-CD2 3.7Å; H1092-L1096 PolarHBondContact O-N 3.19Å; P1093-L1096 PolarHBondContact O-N 2.99Å; L1096-C1099 WeakPolarHBondContact O-CA 3.27Å; L1096-C1099 VanDerWaalsContact O-CB 3.28Å; L1096-C1099 WeakPolarHBondContact O-CB 3.16Å; L1096-C1099 PolarHBondContact O-N 2.87Å; L1096-F1100 HydrophobicContact CD1-CD1 4.3Å; L1096-F1100 HydrophobicContact CD1-CE1 3.68Å; L1096-F1100 HydrophobicContact CD1-CZ 4.31Å; L1096-F1100 HydrophobicContact CD2-CE1 4.44Å; L1096-F1100 HydrophobicContact CD2-CZ 4.27Å; L1096-F1100 HydrophobicContact CG-CD1 4.4Å; L1096-F1100 HydrophobicContact CG-CE1 3.78Å; L1096-F1100 HydrophobicContact CG-CZ 3.99Å; L1096-F1100 VanDerWaalsContact O-CD1 3.22Å; L1096-F1100 WeakPolarHBondContact O-CD1 3.3Å; L1096-F1100 PolarHBondContact O-N 3.11Å; L1096-L1166 HydrophobicContact CD1-CD2 3.86Å; L1096-V1168 HydrophobicContact CD1-CG2 3.99Å
1097D93.3Very high87Confident4 Ų410.8 Ų10.82%0.0217%0.07CC..Hα-helixtrans-68.2-39.6172.5-164.384.8000111.9H931 A942 Y1052 F1056 P1093 L1095 C1099 F1100 Q1101H931-D1097 IonicContact NE2-OD1 3.87Å; A942-D1097 HydrophobicContact CB-CB 3.84Å; Y1052-D1097 WeakPolarHBondContact CE1-OD2 3.49Å; Y1052-D1097 PolarHBondContact OH-OD2 2.77Å; F1056-D1097 HydrophobicContact CD1-CB 4.07Å; F1056-D1097 HydrophobicContact CE1-CB 3.96Å; P1093-D1097 WeakPolarHBondContact O-CB 3.44Å; P1093-D1097 PolarHBondContact O-N 3.07Å; L1095-D1097 VanDerWaalsContact C-N 3.3Å; L1095-D1097 PolarHBondContact O-N 3.34Å; D1097-C1099 PolarHBondContact O-N 2.97Å; D1097-F1100 CarbonylContact O-C 3.45Å; D1097-F1100 WeakPolarHBondContact O-CA 3.39Å; D1097-F1100 WeakPolarHBondContact O-CB 3.26Å; D1097-F1100 PolarHBondContact O-N 3.3Å; D1097-Q1101 WeakPolarHBondContact O-CB 3.44Å; D1097-Q1101 VanDerWaalsContact O-CG 3.27Å; D1097-Q1101 WeakPolarHBondContact O-CG 3.48Å; D1097-Q1101 PolarHBondContact O-N 3Å; D1097-Q1101 PolarHBondContact OD2-NE2 2.88Å
1098A92.8Very high87.1Confident0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-59.1-31.7169.700000112.5L1059 V1076 A1094 L1095 S1102L1059-A1098 HydrophobicContact CB-CB 4.1Å; V1076-A1098 HydrophobicContact CG1-CB 4.33Å; A1094-A1098 WeakPolarHBondContact O-CB 3.19Å; A1094-A1098 PolarHBondContact O-N 2.73Å; A1094-A1098 VanDerWaalsContact O-N 3.09Å; L1095-A1098 WeakPolarHBondContact O-CB 3.01Å; L1095-A1098 PolarHBondContact O-N 3.02Å; A1098-S1102 PolarHBondContact O-N 3.33Å
1099C94.6Very high87Confident1 Ų111.3 Ų11.31%0.0076%0.064CC..Hα-helixtrans-69.8-42.2170.5-59.50000111.6L1095 L1096 D1097 S1102 C1138 L1155 V1157L1095-C1099 PolarHBondContact O-N 3.23Å; L1095-C1099 PolarHBondContact O-SG 2.96Å; L1096-C1099 WeakPolarHBondContact O-CA 3.27Å; L1096-C1099 VanDerWaalsContact O-CB 3.28Å; L1096-C1099 WeakPolarHBondContact O-CB 3.16Å; L1096-C1099 PolarHBondContact O-N 2.87Å; D1097-C1099 PolarHBondContact O-N 2.97Å; C1099-S1102 WeakPolarHBondContact O-CB 3.5Å; C1099-S1102 PolarHBondContact O-N 3.03Å; C1099-S1102 PolarHBondContact O-OG 2.88Å; C1099-C1138 HydrophobicContact CB-CB 4.32Å; C1099-L1155 HydrophobicContact CB-CD1 4.12Å; C1099-V1157 HydrophobicContact CB-CG2 4.34Å
1100F92.2Very high86.3Confident6 Ų614.4 Ų14.43%0.0268%0.079CC..Hα-helixtrans-63.7-40.4175.7-67.35.2000112A942 L1096 D1097 S1102 V1103 P1120 V1123 L1155 V1168 L1171A942-F1100 HydrophobicContact CB-CD2 4.24Å; A942-F1100 HydrophobicContact CB-CE2 3.97Å; A942-F1100 HydrophobicContact CB-CZ 4.46Å; L1096-F1100 HydrophobicContact CD1-CD1 4.3Å; L1096-F1100 HydrophobicContact CD1-CE1 3.68Å; L1096-F1100 HydrophobicContact CD1-CZ 4.31Å; L1096-F1100 HydrophobicContact CD2-CE1 4.44Å; L1096-F1100 HydrophobicContact CD2-CZ 4.27Å; L1096-F1100 HydrophobicContact CG-CD1 4.4Å; L1096-F1100 HydrophobicContact CG-CE1 3.78Å; L1096-F1100 HydrophobicContact CG-CZ 3.99Å; L1096-F1100 VanDerWaalsContact O-CD1 3.22Å; L1096-F1100 WeakPolarHBondContact O-CD1 3.3Å; L1096-F1100 PolarHBondContact O-N 3.11Å; D1097-F1100 CarbonylContact O-C 3.45Å; D1097-F1100 WeakPolarHBondContact O-CA 3.39Å; D1097-F1100 WeakPolarHBondContact O-CB 3.26Å; D1097-F1100 PolarHBondContact O-N 3.3Å; F1100-S1102 PolarHBondContact O-N 3.18Å; F1100-V1103 WeakPolarHBondContact O-CB 3.24Å; F1100-V1103 PolarHBondContact O-N 3.25Å; F1100-V1103 VanDerWaalsContact O-N 3.13Å; F1100-P1120 HydrophobicContact CD2-CG 3.85Å; F1100-P1120 HydrophobicContact CE2-CG 4.34Å; F1100-V1123 HydrophobicContact CZ-CG2 4.31Å; F1100-L1155 HydrophobicContact CD1-CD1 3.66Å; F1100-L1155 HydrophobicContact CE1-CD1 4.2Å; F1100-V1168 HydrophobicContact CE1-CG1 4.18Å; F1100-V1168 HydrophobicContact CE1-CG2 4.24Å; F1100-L1171 HydrophobicContact CB-CD2 4.1Å; F1100-L1171 HydrophobicContact CD1-CD1 4.45Å; F1100-L1171 HydrophobicContact CD1-CD2 3.57Å; F1100-L1171 HydrophobicContact CD2-CD1 4.21Å; F1100-L1171 HydrophobicContact CD2-CD2 4.38Å; F1100-L1171 HydrophobicContact CE1-CD1 4.31Å; F1100-L1171 HydrophobicContact CE1-CD2 4.03Å; F1100-L1171 HydrophobicContact CE2-CD1 4.07Å; F1100-L1171 HydrophobicContact CG-CD1 4.39Å; F1100-L1171 HydrophobicContact CG-CD2 3.76Å; F1100-L1171 HydrophobicContact CZ-CD1 4.12Å
1101Q89.8Confident85.5Confident1 Ų120.9 Ų20.91%0.00510%0.103CC..Hα-helixtrans-54.5-35175-76168.541.300112.5F1045 Y1052 L1059 D1097 V1103 L1104F1045-Q1101 HydrophobicContact CD2-CG 4.28Å; F1045-Q1101 HydrophobicContact CE2-CB 3.69Å; F1045-Q1101 HydrophobicContact CE2-CG 3.85Å; F1045-Q1101 HydrophobicContact CZ-CB 3.83Å; F1045-Q1101 HydrophobicContact CZ-CG 4.36Å; F1045-Q1101 WeakPolarHBondContact CZ-O 3.48Å; Y1052-Q1101 HydrophobicContact CE1-CG 4.38Å; Y1052-Q1101 VanDerWaalsContact CE1-NE2 3.29Å; Y1052-Q1101 HydrophobicContact CE2-CG 3.65Å; Y1052-Q1101 VanDerWaalsContact CZ-CD 3.47Å; Y1052-Q1101 WeakPolarHBondContact OH-CG 3.41Å; L1059-Q1101 HydrophobicContact CD2-CB 3.84Å; D1097-Q1101 WeakPolarHBondContact O-CB 3.44Å; D1097-Q1101 VanDerWaalsContact O-CG 3.27Å; D1097-Q1101 WeakPolarHBondContact O-CG 3.48Å; D1097-Q1101 PolarHBondContact O-N 3Å; D1097-Q1101 PolarHBondContact OD2-NE2 2.88Å; Q1101-V1103 PolarHBondContact O-N 3.47Å; Q1101-L1104 WeakPolarHBondContact O-CB 3.35Å; Q1101-L1104 PolarHBondContact O-N 3.23Å; Q1101-L1104 VanDerWaalsContact O-N 3.14Å
1102S90.5Very high84.3Confident0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-61.7-29.7179.775.10000113.6A1098 C1099 F1100 L1104 V1105 A1140A1098-S1102 PolarHBondContact O-N 3.33Å; C1099-S1102 WeakPolarHBondContact O-CB 3.5Å; C1099-S1102 PolarHBondContact O-N 3.03Å; C1099-S1102 PolarHBondContact O-OG 2.88Å; F1100-S1102 PolarHBondContact O-N 3.18Å; S1102-L1104 VanDerWaalsContact C-N 3.31Å; S1102-L1104 PolarHBondContact O-N 2.91Å; S1102-V1105 PolarHBondContact O-N 3.17Å; S1102-A1140 WeakPolarHBondContact OG-CB 3.36Å
1103V88.8Confident82.4Confident0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-64.1-37176.9-176.80000111.3F1100 Q1101 V1105 H1106 V1109 A1140 V1142 A1153 L1155 L1171 L1173F1100-V1103 WeakPolarHBondContact O-CB 3.24Å; F1100-V1103 PolarHBondContact O-N 3.25Å; F1100-V1103 VanDerWaalsContact O-N 3.13Å; Q1101-V1103 PolarHBondContact O-N 3.47Å; V1103-V1105 PolarHBondContact O-N 3.14Å; V1103-V1105 VanDerWaalsContact O-N 3.12Å; V1103-H1106 WeakPolarHBondContact O-CB 3.41Å; V1103-H1106 PolarHBondContact O-N 3.19Å; V1103-V1109 HydrophobicContact CG1-CG2 3.94Å; V1103-V1109 WeakPolarHBondContact O-CB 3.47Å; V1103-A1140 HydrophobicContact CG2-CB 4.3Å; V1103-V1142 HydrophobicContact CG1-CG2 4.38Å; V1103-A1153 HydrophobicContact CG1-CB 3.67Å; V1103-A1153 HydrophobicContact CG2-CB 4.05Å; V1103-L1155 HydrophobicContact CG2-CD1 4.43Å; V1103-L1155 HydrophobicContact CG2-CD2 3.55Å; V1103-L1155 HydrophobicContact CG2-CG 4.31Å; V1103-L1171 HydrophobicContact CG2-CD2 4.09Å; V1103-L1173 HydrophobicContact CB-CD1 4.25Å; V1103-L1173 HydrophobicContact CG1-CD1 3.87Å
1104L82.2Confident80.4Confident14 Ų1427.2 Ų27.27%0.07314%0.142CC..THydrogen-bonded Turntrans-65.9-11.9178.9-61.2173.8000113.2F1045 Q1101 S1102 V1109 Q1110 L1173F1045-L1104 HydrophobicContact CD1-CB 4.46Å; F1045-L1104 HydrophobicContact CD1-CD1 4.12Å; F1045-L1104 HydrophobicContact CE1-CB 3.75Å; F1045-L1104 HydrophobicContact CE1-CD1 4.02Å; F1045-L1104 HydrophobicContact CZ-CB 4.5Å; Q1101-L1104 WeakPolarHBondContact O-CB 3.35Å; Q1101-L1104 PolarHBondContact O-N 3.23Å; Q1101-L1104 VanDerWaalsContact O-N 3.14Å; S1102-L1104 VanDerWaalsContact C-N 3.31Å; S1102-L1104 PolarHBondContact O-N 2.91Å; L1104-V1109 HydrophobicContact CD2-CG1 4.35Å; L1104-Q1110 WeakPolarHBondContact O-CG 3.46Å; L1104-Q1110 PolarHBondContact O-NE2 3.32Å; L1104-Q1110 VanDerWaalsContact O-NE2 3.13Å; L1104-L1173 HydrophobicContact CD2-CD1 3.7Å; L1104-L1173 HydrophobicContact CG-CD1 4.39Å
1105V81.6Confident78.4Confident9 Ų929.1 Ų29.16%0.05516%0.162CC..THydrogen-bonded Turntrans-91.8-15.8175.8-154.90000112.1L1041 F1045 V1062 S1102 V1103L1041-V1105 HydrophobicContact CD2-CB 4.45Å; L1041-V1105 HydrophobicContact CD2-CG1 3.86Å; L1041-V1105 HydrophobicContact CD2-CG2 3.65Å; F1045-V1105 HydrophobicContact CZ-CG2 4.2Å; V1062-V1105 HydrophobicContact CG1-CG2 4.3Å; V1062-V1105 HydrophobicContact CG2-CB 4.34Å; V1062-V1105 HydrophobicContact CG2-CG1 3.81Å; V1062-V1105 HydrophobicContact CG2-CG2 4.22Å; S1102-V1105 PolarHBondContact O-N 3.17Å; V1103-V1105 PolarHBondContact O-N 3.14Å; V1103-V1105 VanDerWaalsContact O-N 3.12Å
1106H82.3Confident76.4Confident8 Ų830.6 Ų30.64%0.03718%0.177CC..SBendtrans-64.7130.5-177.6-176.2-103000111.3T1070 V1072 V1103 E1108 V1109 Q1110 V1142T1070-H1106 VanDerWaalsContact C-NE2 3.28Å; T1070-H1106 VanDerWaalsContact CA-NE2 3.33Å; T1070-H1106 WeakPolarHBondContact CA-NE2 3.4Å; T1070-H1106 PolarHBondContact O-NE2 2.84Å; V1072-H1106 HydrophobicContact CG2-CB 3.87Å; V1103-H1106 WeakPolarHBondContact O-CB 3.41Å; V1103-H1106 PolarHBondContact O-N 3.19Å; H1106-E1108 PolarHBondContact ND1-N 3.33Å; H1106-E1108 PolarHBondContact O-N 2.89Å; H1106-V1109 HydrophobicContact CB-CB 4.35Å; H1106-V1109 HydrophobicContact CB-CG2 4.18Å; H1106-V1109 WeakPolarHBondContact O-CA 3.44Å; H1106-V1109 PolarHBondContact O-N 2.68Å; H1106-Q1110 PolarHBondContact O-N 2.96Å; H1106-V1142 HydrophobicContact CB-CG2 3.69Å; H1106-V1142 VanDerWaalsContact CG-CG2 3.45Å; H1106-V1142 VanDerWaalsContact ND1-CG2 3.29Å; H1106-V1142 WeakPolarHBondContact ND1-CG2 3.37Å
1107P73.7Confident74.8Confident69 Ų6932.2 Ų32.245%0.44819%0.185SC..THydrogen-bonded Turntrans-59.8-20.5-173.2-29.136.5000116.4K1111P1107-K1111 VanDerWaalsContact O-CD 3.27Å; P1107-K1111 WeakPolarHBondContact O-CD 3.34Å; P1107-K1111 VanDerWaalsContact O-CE 3.23Å; P1107-K1111 WeakPolarHBondContact O-CE 3.32Å; P1107-K1111 VanDerWaalsContact O-CG 3.22Å; P1107-K1111 WeakPolarHBondContact O-CG 3.49Å
1108E74.6Confident73.7Confident79 Ų7932.5 Ų32.537%0.36919%0.186SC..THydrogen-bonded Turntrans-81.8-33.4169.4-66.2-158.2167.600113.5H1106 Q1110 K1111 A1112 S1145H1106-E1108 PolarHBondContact ND1-N 3.33Å; H1106-E1108 PolarHBondContact O-N 2.89Å; E1108-Q1110 VanDerWaalsContact C-N 3.34Å; E1108-K1111 WeakPolarHBondContact O-CB 3.45Å; E1108-K1111 PolarHBondContact O-N 3.47Å; E1108-K1111 VanDerWaalsContact O-N 3.17Å; E1108-A1112 PolarHBondContact O-N 3.35Å; E1108-S1145 WeakPolarHBondContact OE2-CB 3.25Å; E1108-S1145 PolarHBondContact OE2-OG 3.28Å
1109V73.7Confident73Confident0 Ų034 Ų340%019%0.194CC..Hα-helixtrans-69.1-40.3176.5175.20000109V1103 L1104 H1106 K1111 A1112 T1113 V1142 C1151V1103-V1109 HydrophobicContact CG1-CG2 3.94Å; V1103-V1109 WeakPolarHBondContact O-CB 3.47Å; L1104-V1109 HydrophobicContact CD2-CG1 4.35Å; H1106-V1109 HydrophobicContact CB-CB 4.35Å; H1106-V1109 HydrophobicContact CB-CG2 4.18Å; H1106-V1109 WeakPolarHBondContact O-CA 3.44Å; H1106-V1109 PolarHBondContact O-N 2.68Å; V1109-K1111 PolarHBondContact O-N 3.43Å; V1109-A1112 CarbonylContact O-C 3.53Å; V1109-A1112 PolarHBondContact O-N 2.71Å; V1109-T1113 HydrophobicContact CG1-CG2 4.28Å; V1109-T1113 WeakPolarHBondContact O-CG2 3.22Å; V1109-T1113 PolarHBondContact O-N 2.94Å; V1109-T1113 PolarHBondContact O-OG1 2.73Å; V1109-T1113 VanDerWaalsContact O-OG1 3.06Å; V1109-V1142 HydrophobicContact CG2-CG1 4.15Å; V1109-V1142 HydrophobicContact CG2-CG2 3.6Å; V1109-C1151 HydrophobicContact CG2-CB 4.28Å
1110Q69.3Low72.5Confident82 Ų8235.2 Ų35.238%0.38320%0.203SC..Hα-helixtrans-61.6-24172.2-64.4-159.6-16.900114M1044 L1104 H1106 E1108 T1113M1044-Q1110 PolarHBondContact SD-NE2 2.77Å; L1104-Q1110 WeakPolarHBondContact O-CG 3.46Å; L1104-Q1110 PolarHBondContact O-NE2 3.32Å; L1104-Q1110 VanDerWaalsContact O-NE2 3.13Å; H1106-Q1110 PolarHBondContact O-N 2.96Å; E1108-Q1110 VanDerWaalsContact C-N 3.34Å; Q1110-T1113 VanDerWaalsContact CA-OG1 3.29Å; Q1110-T1113 WeakPolarHBondContact CA-OG1 3.48Å; Q1110-T1113 PolarHBondContact O-OG1 3Å; Q1110-T1113 VanDerWaalsContact O-OG1 3.11Å
1111K66.5Low72.2Confident160 Ų16037 Ų3770%0.69621%0.213SC*.Hα-helixtrans-83.7-28.9170.9-67.4165-163.7166.70112.7P1107 E1108 V1109P1107-K1111 VanDerWaalsContact O-CD 3.27Å; P1107-K1111 WeakPolarHBondContact O-CD 3.34Å; P1107-K1111 VanDerWaalsContact O-CE 3.23Å; P1107-K1111 WeakPolarHBondContact O-CE 3.32Å; P1107-K1111 VanDerWaalsContact O-CG 3.22Å; P1107-K1111 WeakPolarHBondContact O-CG 3.49Å; E1108-K1111 WeakPolarHBondContact O-CB 3.45Å; E1108-K1111 PolarHBondContact O-N 3.47Å; E1108-K1111 VanDerWaalsContact O-N 3.17Å; V1109-K1111 PolarHBondContact O-N 3.43Å
1112A59.3Low72.2Confident9 Ų937.2 Ų37.27%0.07422%0.216CC..Hα-helixtrans-81.7-30.117800000112.8E1108 V1109 V1114 G1149E1108-A1112 PolarHBondContact O-N 3.35Å; V1109-A1112 CarbonylContact O-C 3.53Å; V1109-A1112 PolarHBondContact O-N 2.71Å; A1112-V1114 PolarHBondContact O-N 3.41Å; A1112-V1114 VanDerWaalsContact O-N 3.09Å; A1112-G1149 PolarHBondContact O-N 3.01Å
1113T52.5Low72.4Confident19 Ų1937.3 Ų37.312%0.11722%0.217CC..SBendtrans-70.792.3166.552.80000109.4V1109 Q1110 G1115 M1118V1109-T1113 HydrophobicContact CG1-CG2 4.28Å; V1109-T1113 WeakPolarHBondContact O-CG2 3.22Å; V1109-T1113 PolarHBondContact O-N 2.94Å; V1109-T1113 PolarHBondContact O-OG1 2.73Å; V1109-T1113 VanDerWaalsContact O-OG1 3.06Å; Q1110-T1113 VanDerWaalsContact CA-OG1 3.29Å; Q1110-T1113 WeakPolarHBondContact CA-OG1 3.48Å; Q1110-T1113 PolarHBondContact O-OG1 3Å; Q1110-T1113 VanDerWaalsContact O-OG1 3.11Å; T1113-G1115 PolarHBondContact O-N 2.97Å; T1113-M1118 HydrophobicContact CG2-CB 4.01Å; T1113-M1118 HydrophobicContact CG2-CG 3.78Å; T1113-M1118 HydrophobicContact CG2-SD 3.48Å; T1113-M1118 WeakPolarHBondContact CG2-SD 3.44Å
1114V51.6Low72.7Confident110 Ų11041.5 Ų41.567%0.66723%0.233SC*.  trans-76.161.3176.3-167.30000110.4A1112 G1116A1112-V1114 PolarHBondContact O-N 3.41Å; A1112-V1114 VanDerWaalsContact O-N 3.09Å; V1114-G1116 PolarHBondContact O-N 3.45Å
1115G49.5Very low73.4Confident40 Ų4043.5 Ų43.541%0.41224%0.239SC..SBendtrans62.23.5-172.900000115.4T1113 G1935T1113-G1115 PolarHBondContact O-N 2.97Å; G1115-G1935 VanDerWaalsContact CA-O 3.31Å; G1115-G1935 WeakPolarHBondContact CA-O 3.47Å
1116G51.8Low74Confident31 Ų3143.1 Ų43.132%0.3224%0.237SC..SBendtrans-96.5146.1-174.100000113V1114 M1118V1114-G1116 PolarHBondContact O-N 3.45Å; G1116-M1118 PolarHBondContact O-N 2.85Å; G1116-M1118 VanDerWaalsContact O-N 3.08Å
1117L59.6Low74.5Confident34 Ų3443.8 Ų43.818%0.17824%0.239CC..  trans-53.8108.6168.4-176.485.7000110.4I933 I1050 L1119I933-L1117 HydrophobicContact CG2-CD1 4.06Å; I933-L1117 HydrophobicContact CG2-CD2 3.49Å; I933-L1117 VanDerWaalsContact CG2-CD2 3.49Å; I933-L1117 HydrophobicContact CG2-CG 4.43Å; I1050-L1117 HydrophobicContact CD1-CD1 3.85Å; I1050-L1117 HydrophobicContact CG1-CD1 3.42Å; I1050-L1117 VanDerWaalsContact CG1-CD1 3.42Å; L1117-L1119 HydrophobicContact CD1-CD2 4.02Å; L1117-L1119 HydrophobicContact CD2-CD1 3.86Å; L1117-L1119 HydrophobicContact CD2-CD2 3.85Å; L1117-L1119 HydrophobicContact CD2-CG 3.74Å; L1117-L1119 HydrophobicContact CG-CD2 3.82Å; L1117-L1119 HydrophobicContact CG-CG 3.94Å
1118M71.2Confident75.4Confident10 Ų1042 Ų425%0.04923%0.226CC..  trans-101.9104.9171.4-75.5-167.864.900109.5T1113 G1116 C1151 L1173T1113-M1118 HydrophobicContact CG2-CB 4.01Å; T1113-M1118 HydrophobicContact CG2-CG 3.78Å; T1113-M1118 HydrophobicContact CG2-SD 3.48Å; T1113-M1118 WeakPolarHBondContact CG2-SD 3.44Å; G1116-M1118 PolarHBondContact O-N 2.85Å; G1116-M1118 VanDerWaalsContact O-N 3.08Å; M1118-C1151 HydrophobicContact CE-CB 4.45Å; M1118-L1173 HydrophobicContact CB-CB 4.31Å; M1118-L1173 HydrophobicContact CE-CB 3.9Å; M1118-L1173 WeakPolarHBondContact CE-O 3.48Å
1119L76.8Confident76.2Confident31 Ų3140 Ų4016%0.16222%0.215CC..EExtended strand (participates in β ladder)trans-90.8153.7177-61.6-179.4000110.2I933 L1117 V1121 L1173 A1174I933-L1119 HydrophobicContact CD1-CD1 3.96Å; I933-L1119 HydrophobicContact CD1-CD2 3.62Å; I933-L1119 HydrophobicContact CD1-CG 4.46Å; I933-L1119 HydrophobicContact CG1-CD2 4.16Å; L1117-L1119 HydrophobicContact CD1-CD2 4.02Å; L1117-L1119 HydrophobicContact CD2-CD1 3.86Å; L1117-L1119 HydrophobicContact CD2-CD2 3.85Å; L1117-L1119 HydrophobicContact CD2-CG 3.74Å; L1117-L1119 HydrophobicContact CG-CD2 3.82Å; L1117-L1119 HydrophobicContact CG-CG 3.94Å; L1119-V1121 PolarHBondContact O-N 3.46Å; L1119-L1173 CarbonylContact O-C 3.55Å; L1119-L1173 VanDerWaalsContact O-CA 3.24Å; L1119-L1173 WeakPolarHBondContact O-CA 3.37Å; L1119-A1174 PolarHBondContact N-O 3.44Å; L1119-A1174 PolarHBondContact O-N 3.2Å; L1119-A1174 VanDerWaalsContact O-O 3.04Å
1120P85.2Confident76.8Confident28 Ų2844 Ų4418%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-52.3130.8157.9-2233.2000110F967 F1100 L1171 R1172 L1173F967-P1120 HydrophobicContact CD2-CB 3.84Å; F967-P1120 WeakPolarHBondContact CD2-O 3.49Å; F967-P1120 HydrophobicContact CE2-CB 3.59Å; F1100-P1120 HydrophobicContact CD2-CG 3.85Å; F1100-P1120 HydrophobicContact CE2-CG 4.34Å; P1120-L1171 HydrophobicContact CB-CD1 4.13Å; P1120-R1172 WeakPolarHBondContact CA-O 3.45Å; P1120-L1173 HydrophobicContact CB-CD2 4.16Å; P1120-L1173 HydrophobicContact CG-CD2 3.85Å
1121V85.4Confident77.5Confident42 Ų4243.4 Ų43.426%0.25524%0.238SC..EExtended strand (participates in β ladder)trans-115.1-12.5168.8-65.30000112.5F967 L1119 R1172 A1174F967-V1121 VanDerWaalsContact CD2-C 3.43Å; F967-V1121 PolarHBondContact N-O 3.07Å; L1119-V1121 PolarHBondContact O-N 3.46Å; V1121-R1172 HydrophobicContact CG2-CB 3.93Å; V1121-R1172 WeakPolarHBondContact CG2-O 3.32Å; V1121-R1172 PolarHBondContact N-O 2.68Å; V1121-A1174 HydrophobicContact CB-CB 4.41Å; V1121-A1174 HydrophobicContact CG1-CB 3.87Å; V1121-A1174 HydrophobicContact CG2-CB 3.64Å
1122G90.7Very high78.4Confident6 Ų636 Ų366%0.06221%0.206CC..EExtended strand (participates in β ladder)trans178.3173.4172.400000113.7I965 R1172I965-G1122 CarbonylContact O-C 3.54Å; I965-G1122 WeakPolarHBondContact O-CA 3.39Å; G1122-R1172 PolarHBondContact N-O 2.74Å; G1122-R1172 PolarHBondContact O-N 3.5Å
1123V94.9Very high79.5Confident2 Ų241.1 Ų41.11%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-137.4123.2175.7166.30000107.6I965 F1100 R1125 L1126 V1168 G1170 L1171I965-V1123 HydrophobicContact CB-CB 4.13Å; I965-V1123 WeakPolarHBondContact CB-O 3.37Å; I965-V1123 HydrophobicContact CD1-CB 4.12Å; I965-V1123 HydrophobicContact CD1-CG1 4.27Å; I965-V1123 HydrophobicContact CG1-CB 4.35Å; I965-V1123 PolarHBondContact N-O 3.09Å; I965-V1123 PolarHBondContact O-N 3.46Å; F1100-V1123 HydrophobicContact CZ-CG2 4.31Å; V1123-R1125 WeakPolarHBondContact CG1-O 3.27Å; V1123-L1126 HydrophobicContact CG1-CB 4.24Å; V1123-V1168 HydrophobicContact CB-CG1 4.45Å; V1123-V1168 HydrophobicContact CG1-CG1 3.61Å; V1123-V1168 HydrophobicContact CG2-CG1 3.92Å; V1123-G1170 WeakPolarHBondContact CA-O 3.39Å; V1123-L1171 HydrophobicContact CG2-CB 4.29Å; V1123-L1171 HydrophobicContact CG2-CD1 3.63Å
1124R95Very high81Confident89 Ų8943.2 Ų43.234%0.33624%0.24SC..EExtended strand (participates in β ladder)trans-66.7-38.9-178.5-176.8178.753.867.9-3.9112.1R963 D964 E1152 E1169 G1170R963-R1124 WeakPolarHBondContact CA-O 3.26Å; D964-R1124 PolarHBondContact N-O 3.25Å; R1124-E1152 IonicContact NE-OE1 2.79Å; R1124-E1169 WeakPolarHBondContact CB-O 3.2Å; R1124-E1169 IonicContact CZ-OE2 2.7Å; R1124-E1169 VanDerWaalsContact CZ-OE2 3.23Å; R1124-E1169 PolarHBondContact N-O 2.72Å; R1124-E1169 VanDerWaalsContact N-O 3.16Å; R1124-E1169 IonicContact NH1-OE2 3.35Å; R1124-E1169 PolarHBondContact NH1-OE2 3.07Å; R1124-E1169 VanDerWaalsContact NH2-CB 3.27Å; R1124-E1169 IonicContact NH2-OE2 3.49Å; R1124-E1169 PolarHBondContact NH2-OE2 2.98Å; R1124-G1170 PolarHBondContact N-O 3.02Å
1125R95.1Very high82.8Confident56 Ų5638.6 Ų38.621%0.21121%0.212CC..EExtended strand (participates in β ladder)trans-151144.9177.9-158-162.4-158.6164.1-170.7112E961 V962 R963 V1123 R1127 E1169E961-R1125 IonicContact OE1-CZ 3.89Å; E961-R1125 IonicContact OE1-NE 3.63Å; E961-R1125 PolarHBondContact OE1-NE 2.79Å; E961-R1125 IonicContact OE1-NH1 2.66Å; E961-R1125 PolarHBondContact OE1-NH1 3.43Å; E961-R1125 IonicContact OE2-CZ 3.19Å; E961-R1125 VanDerWaalsContact OE2-CZ 3.24Å; E961-R1125 IonicContact OE2-NE 2.64Å; E961-R1125 PolarHBondContact OE2-NE 3.29Å; E961-R1125 IonicContact OE2-NH1 3.67Å; E961-R1125 PolarHBondContact OE2-NH1 2.74Å; V962-R1125 CarbonylContact O-C 3.37Å; V962-R1125 VanDerWaalsContact O-CA 3.32Å; V962-R1125 WeakPolarHBondContact O-CA 3.46Å; R963-R1125 HydrophobicContact CG-CG 4.49Å; V1123-R1125 WeakPolarHBondContact CG1-O 3.27Å; R1125-R1127 VanDerWaalsContact NH1-NH2 3.12Å; R1125-E1169 HydrophobicContact CB-CB 3.93Å; R1125-E1169 HydrophobicContact CB-CG 4.07Å; R1125-E1169 WeakPolarHBondContact CD-OE1 3.48Å; R1125-E1169 IonicContact CZ-OE1 2.73Å; R1125-E1169 PolarHBondContact N-O 2.97Å; R1125-E1169 IonicContact NE-OE1 2.71Å; R1125-E1169 IonicContact NH2-OE1 2.69Å; R1125-E1169 PolarHBondContact NH2-OE1 2.87Å; R1125-E1169 PolarHBondContact O-N 2.91Å
1126L95.8Very high84.9Confident0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-138.8131.3175.6-17761.2000110.2C945 L949 V962 I965 V1123 L1166 V1168C945-L1126 HydrophobicContact CB-CD2 3.56Å; L949-L1126 HydrophobicContact CD1-CD1 4.5Å; L949-L1126 HydrophobicContact CD1-CD2 3.66Å; L949-L1126 HydrophobicContact CD1-CG 3.92Å; L949-L1126 HydrophobicContact CD2-CD2 4.33Å; L949-L1126 HydrophobicContact CD2-CG 4.13Å; L949-L1126 HydrophobicContact CG-CD2 3.69Å; L949-L1126 HydrophobicContact CG-CG 4.02Å; V962-L1126 HydrophobicContact CB-CB 4.32Å; V962-L1126 PolarHBondContact N-O 2.75Å; V962-L1126 VanDerWaalsContact N-O 3.09Å; V962-L1126 PolarHBondContact O-N 3.5Å; I965-L1126 HydrophobicContact CD1-CB 4.17Å; I965-L1126 HydrophobicContact CD1-CD2 4.05Å; V1123-L1126 HydrophobicContact CG1-CB 4.24Å; L1126-L1166 HydrophobicContact CD1-CD1 4.46Å; L1126-L1166 HydrophobicContact CD1-CD2 4.26Å; L1126-L1166 HydrophobicContact CD1-CG 4.4Å; L1126-V1168 HydrophobicContact CD1-CB 4.35Å; L1126-V1168 HydrophobicContact CD1-CG1 4.34Å; L1126-V1168 HydrophobicContact CD1-CG2 3.82Å
1127R93Very high87Confident22 Ų2239.1 Ų39.18%0.08320%0.195CC..EExtended strand (participates in β ladder)trans-136.9140.1179.4-71.7179.3161.9-147.9-16.8111.2E961 R1125 Y1129 L1166 T1167E961-R1127 HydrophobicContact CB-CG 3.91Å; E961-R1127 IonicContact OE2-CZ 2.9Å; E961-R1127 IonicContact OE2-NE 3.32Å; E961-R1127 PolarHBondContact OE2-NE 2.96Å; E961-R1127 IonicContact OE2-NH2 3.57Å; E961-R1127 PolarHBondContact OE2-NH2 3.27Å; R1125-R1127 VanDerWaalsContact NH1-NH2 3.12Å; R1127-Y1129 HydrophobicContact CB-CE2 3.8Å; R1127-Y1129 WeakPolarHBondContact CD-OH 3.34Å; R1127-L1166 WeakPolarHBondContact O-CA 3.34Å; R1127-L1166 WeakPolarHBondContact O-CG 3.48Å; R1127-T1167 PolarHBondContact N-O 3.02Å; R1127-T1167 PolarHBondContact O-N 2.84Å
1128N92.3Very high88.7Confident32 Ų3237.5 Ų37.517%0.17119%0.187CC..EExtended strand (participates in β ladder)trans-122.8119.4173.3-172-33.8000107.6L949 A1090 H1130 L1166L949-N1128 HydrophobicContact CD2-CB 4.32Å; A1090-N1128 PolarHBondContact O-ND2 2.86Å; N1128-H1130 PolarHBondContact OD1-N 3.29Å; N1128-H1130 PolarHBondContact OD1-O 3.32Å; N1128-L1166 HydrophobicContact CB-CD1 4.33Å
1129Y90.9Very high89.9Confident37 Ų3737.3 Ų37.315%0.14519%0.186CC..  trans-100.5-37.8-176.4-53.3-97.7000111M1017 P1018 Q1019 P1020 R1127 L1165 T1167M1017-Y1129 HydrophobicContact CG-CD1 3.71Å; M1017-Y1129 HydrophobicContact CG-CE1 3.73Å; M1017-Y1129 HydrophobicContact SD-CD1 3.6Å; M1017-Y1129 HydrophobicContact SD-CE1 3.98Å; M1017-Y1129 HydrophobicContact SD-CG 4.12Å; P1018-Y1129 WeakPolarHBondContact O-CE1 3.43Å; Q1019-Y1129 VanDerWaalsContact OE1-CB 3.3Å; P1020-Y1129 HydrophobicContact CG-CD1 4.37Å; P1020-Y1129 HydrophobicContact CG-CD2 4.32Å; P1020-Y1129 HydrophobicContact CG-CE1 3.86Å; P1020-Y1129 HydrophobicContact CG-CE2 3.82Å; R1127-Y1129 HydrophobicContact CB-CE2 3.8Å; R1127-Y1129 WeakPolarHBondContact CD-OH 3.34Å; Y1129-L1165 PolarHBondContact N-O 3.3Å; Y1129-T1167 HydrophobicContact CE2-CG2 3.72Å; Y1129-T1167 WeakPolarHBondContact CE2-OG1 3.43Å; Y1129-T1167 PolarHBondContact OH-OG1 2.64Å
1130H85.5Confident90.6Very high85 Ų8536 Ų3639%0.39418%0.179SC..SBendtrans-144.8152-176.2-62.7-32.3000110.9N1128 T1132 L1165N1128-H1130 PolarHBondContact OD1-N 3.29Å; N1128-H1130 PolarHBondContact OD1-O 3.32Å; H1130-T1132 PolarHBondContact O-N 3.3Å; H1130-L1165 HydrophobicContact CB-CB 4.45Å; H1130-L1165 HydrophobicContact CB-CD2 3.68Å; H1130-L1165 PolarHBondContact N-O 3.47Å; H1130-L1165 VanDerWaalsContact N-O 3.13Å
1131S84.1Confident90.9Very high68 Ų6838.7 Ų38.748%0.47619%0.186SC..  trans-51.9124.8179.6-174.70000112.4R1133S1131-R1133 PolarHBondContact O-N 3.13Å; S1131-R1133 WeakPolarHBondContact OG-CG 3.35Å
1132T86.4Confident90.9Very high5 Ų537.4 Ų37.43%0.03118%0.178CC..THydrogen-bonded Turntrans-7627.5178.174.20000113.2Q1086 S1091 H1130 A1135 L1165 L1166Q1086-T1132 PolarHBondContact NE2-O 3.01Å; S1091-T1132 PolarHBondContact OG-OG1 3.43Å; H1130-T1132 PolarHBondContact O-N 3.3Å; T1132-A1135 WeakPolarHBondContact O-CB 3.45Å; T1132-L1165 HydrophobicContact CG2-CB 4.36Å; T1132-L1166 HydrophobicContact CG2-CB 4.1Å; T1132-L1166 HydrophobicContact CG2-CD1 4.35Å
1133R81.1Confident90.6Very high116 Ų11640.3 Ų40.344%0.43820%0.195SC..THydrogen-bonded Turntrans-69.7-40.8173.8-78.7179.7-169.8171.211.4112E884 Q1086 S1131 A1135E884-R1133 IonicContact OE1-CZ 2.77Å; E884-R1133 IonicContact OE1-NH1 2.88Å; E884-R1133 PolarHBondContact OE1-NH1 3.24Å; E884-R1133 IonicContact OE1-NH2 3.32Å; E884-R1133 PolarHBondContact OE1-NH2 2.87Å; Q1086-R1133 HydrophobicContact CG-CG 4.19Å; S1131-R1133 PolarHBondContact O-N 3.13Å; S1131-R1133 WeakPolarHBondContact OG-CG 3.35Å; R1133-A1135 VanDerWaalsContact C-N 3.34Å
1134S84.2Confident89.7Confident64 Ų6442.6 Ų42.645%0.44821%0.21SC..SBendtrans-87.94.4177.6540000114.2H1136 D1159S1134-H1136 PolarHBondContact O-N 2.83Å; S1134-D1159 WeakPolarHBondContact O-CA 3.5Å; S1134-D1159 WeakPolarHBondContact O-CB 3.47Å
1135A90.6Very high87.9Confident12 Ų1240.5 Ų40.510%0.09921%0.209CC..  trans-58.3121.1-178.500000111.2L1095 T1132 R1133 V1157 L1165L1095-A1135 HydrophobicContact CD2-CB 4.1Å; T1132-A1135 WeakPolarHBondContact O-CB 3.45Å; R1133-A1135 VanDerWaalsContact C-N 3.34Å; A1135-V1157 HydrophobicContact CB-CG1 3.87Å; A1135-L1165 HydrophobicContact CB-CD1 3.87Å
1136H93.4Very high86Confident59 Ų5942.9 Ų42.927%0.27324%0.235SC..  trans-126.7-29.5-176.6-165.530.6000112.5E1075 V1076 S1134 F1158E1075-H1136 WeakPolarHBondContact CA-O 3.41Å; V1076-H1136 PolarHBondContact N-O 3.28Å; V1076-H1136 CarbonylContact O-C 3.58Å; V1076-H1136 WeakPolarHBondContact O-CA 3.16Å; S1134-H1136 PolarHBondContact O-N 2.83Å; H1136-F1158 PolarHBondContact N-O 2.79Å
1137Y95.7Very high84Confident24 Ų2450.6 Ų50.69%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-130.1154.2-179.4-65-69.9000112.1T1025 L1073 A1074 E1075 V1157 F1158T1025-Y1137 HydrophobicContact CG2-CD2 4.19Å; T1025-Y1137 HydrophobicContact CG2-CE2 4.2Å; L1073-Y1137 HydrophobicContact CD1-CD1 4.06Å; L1073-Y1137 HydrophobicContact CD1-CG 4.32Å; L1073-Y1137 HydrophobicContact CG-CD1 4.33Å; A1074-Y1137 CarbonylContact O-C 3.55Å; A1074-Y1137 VanDerWaalsContact O-CA 3.24Å; A1074-Y1137 WeakPolarHBondContact O-CA 3.37Å; E1075-Y1137 HydrophobicContact CG-CD1 3.9Å; E1075-Y1137 HydrophobicContact CG-CE1 3.54Å; Y1137-V1157 WeakPolarHBondContact O-CA 3.4Å; Y1137-F1158 HydrophobicContact CD2-CD2 4.16Å; Y1137-F1158 AromaticContact CD2-CE2 3.9Å; Y1137-F1158 HydrophobicContact CD2-CE2 3.9Å; Y1137-F1158 HydrophobicContact CG-CD2 4.36Å; Y1137-F1158 AromaticContact CG-CE2 3.86Å; Y1137-F1158 HydrophobicContact CG-CE2 3.86Å; Y1137-F1158 HydrophobicContact CG-CZ 4.39Å; Y1137-F1158 PolarHBondContact N-O 3.38Å; Y1137-F1158 PolarHBondContact O-N 3.33Å
1138C95.7Very high82.3Confident0 Ų053.7 Ų53.70%029%0.294CS..EExtended strand (participates in β ladder)trans-137.8121168.8172.60000109.6A1074 V1076 C1099 D1156 V1157A1074-C1138 HydrophobicContact CB-CB 4.2Å; A1074-C1138 PolarHBondContact N-O 2.88Å; A1074-C1138 PolarHBondContact O-N 2.94Å; V1076-C1138 HydrophobicContact CG1-CB 4.3Å; V1076-C1138 HydrophobicContact CG2-CB 4.42Å; C1099-C1138 HydrophobicContact CB-CB 4.32Å; C1138-D1156 CarbonylContact C-O 3.57Å; C1138-D1156 WeakPolarHBondContact CA-O 3.3Å; C1138-V1157 HydrophobicContact CB-CG2 4.25Å
1139L95.1Very high80.9Confident6 Ų652.6 Ų52.63%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-95.6108.3175.3-175.871.4000109.2Y1023 L1028 T1071 L1073 D1156 F1158Y1023-L1139 HydrophobicContact CE1-CD2 3.81Å; Y1023-L1139 HydrophobicContact CE2-CD2 4.38Å; L1028-L1139 HydrophobicContact CD1-CD2 4.46Å; L1028-L1139 HydrophobicContact CD2-CD1 4.41Å; L1028-L1139 HydrophobicContact CD2-CD2 4.33Å; T1071-L1139 HydrophobicContact CG2-CD1 4.3Å; T1071-L1139 HydrophobicContact CG2-CG 4.47Å; L1073-L1139 HydrophobicContact CB-CD1 4.35Å; L1139-D1156 PolarHBondContact N-O 2.9Å; L1139-D1156 PolarHBondContact O-N 3.23Å; L1139-F1158 HydrophobicContact CB-CE1 3.71Å; L1139-F1158 HydrophobicContact CB-CZ 4.24Å
1140A93.4Very high80Confident3 Ų355 Ų553%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-89136.4173.600000111.2T1071 V1072 S1102 V1103 L1155T1071-A1140 CarbonylContact C-O 3.59Å; T1071-A1140 WeakPolarHBondContact CA-O 3.46Å; T1071-A1140 WeakPolarHBondContact CB-O 3.38Å; V1072-A1140 HydrophobicContact CB-CB 4.38Å; V1072-A1140 PolarHBondContact N-O 3.09Å; V1072-A1140 PolarHBondContact O-N 2.95Å; S1102-A1140 WeakPolarHBondContact OG-CB 3.36Å; V1103-A1140 HydrophobicContact CG2-CB 4.3Å; A1140-L1155 HydrophobicContact CB-CD2 3.34Å
1141R91.4Very high79.8Confident85 Ų8551.2 Ų51.232%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-132.3120177-171.1-177-57121.28.5109.9Y1023 T1071 A1153 D1154 D1156Y1023-R1141 PolarHBondContact OH-NH2 2.78Å; T1071-R1141 HydrophobicContact CG2-CB 3.93Å; T1071-R1141 HydrophobicContact CG2-CG 3.89Å; R1141-A1153 CarbonylContact O-C 3.13Å; R1141-A1153 VanDerWaalsContact O-CA 3.3Å; R1141-A1153 WeakPolarHBondContact O-CA 3.3Å; R1141-A1153 WeakPolarHBondContact O-CB 3.48Å; R1141-D1154 PolarHBondContact N-O 2.85Å; R1141-D1154 PolarHBondContact O-N 3.07Å; R1141-D1156 IonicContact NH2-OD2 3.83Å
1142V85.3Confident80Confident14 Ų1449.5 Ų49.59%0.08527%0.271CS..EExtended strand (participates in β ladder)trans-82.9123.9178.9176.60000109.4T1070 V1103 H1106 V1109 A1153T1070-V1142 PolarHBondContact O-N 2.87Å; V1103-V1142 HydrophobicContact CG1-CG2 4.38Å; H1106-V1142 HydrophobicContact CB-CG2 3.69Å; H1106-V1142 VanDerWaalsContact CG-CG2 3.45Å; H1106-V1142 VanDerWaalsContact ND1-CG2 3.29Å; H1106-V1142 WeakPolarHBondContact ND1-CG2 3.37Å; V1109-V1142 HydrophobicContact CG2-CG1 4.15Å; V1109-V1142 HydrophobicContact CG2-CG2 3.6Å; V1142-A1153 HydrophobicContact CG2-CB 4.21Å
1143T84.2Confident80.2Confident68 Ų6849.3 Ų49.342%0.41727%0.269SS..EExtended strand (participates in β ladder)trans-104.8-27.5-172.356.30000112.9E1152 D1154T1143-E1152 PolarHBondContact N-O 2.68Å; T1143-E1152 PolarHBondContact OG1-O 2.9Å; T1143-E1152 VanDerWaalsContact OG1-O 3.09Å; T1143-D1154 HydrophobicContact CG2-CB 4.37Å; T1143-D1154 VanDerWaalsContact CG2-OD2 3.32Å; T1143-D1154 WeakPolarHBondContact CG2-OD2 3.37Å
1144S75.3Confident80.9Confident49 Ų4945.4 Ų45.434%0.34326%0.257SS..EExtended strand (participates in β ladder)trans-151142.4162.687.30000114.1C1151 E1152S1144-C1151 WeakPolarHBondContact O-CA 3.44Å; S1144-E1152 PolarHBondContact N-O 2.86Å; S1144-E1152 PolarHBondContact O-N 2.77Å
1145S57.5Low81.4Confident45 Ų4542.3 Ų42.332%0.31524%0.236SC..EExtended strand (participates in β ladder)trans-127.419.5179.550.90000111.5E1108 R1147E1108-S1145 WeakPolarHBondContact OE2-CB 3.25Å; E1108-S1145 PolarHBondContact OE2-OG 3.28Å; S1145-R1147 VanDerWaalsContact C-N 3.29Å; S1145-R1147 PolarHBondContact O-N 3.19Å; S1145-R1147 VanDerWaalsContact O-N 3.13Å
1146S54.2Low81.7Confident106 Ų10643 Ų4374%0.74124%0.237SC*.EExtended strand (participates in β ladder)trans-75.7-2.8-158.968.20000116.5
1147R54Low81.8Confident162 Ų16240.3 Ų40.361%0.61123%0.226SC*.EExtended strand (participates in β ladder)trans-137.8137.3179.5-75.6175.7169.2-172.1-2.3110.7S1145 G1149 E1150S1145-R1147 VanDerWaalsContact C-N 3.29Å; S1145-R1147 PolarHBondContact O-N 3.19Å; S1145-R1147 VanDerWaalsContact O-N 3.13Å; R1147-G1149 PolarHBondContact O-N 3.47Å; R1147-E1150 HydrophobicContact CB-CB 4.19Å; R1147-E1150 WeakPolarHBondContact CD-OE2 3.45Å; R1147-E1150 IonicContact CZ-OE2 2.76Å; R1147-E1150 IonicContact NE-OE2 3.43Å; R1147-E1150 IonicContact NH1-OE1 2.7Å; R1147-E1150 IonicContact NH1-OE2 3.65Å; R1147-E1150 PolarHBondContact NH1-OE2 2.94Å; R1147-E1150 PolarHBondContact O-N 3.17Å; R1147-E1150 VanDerWaalsContact O-N 3.16Å
1148A57.2Low81.9Confident88 Ų8839.2 Ų39.273%0.72722%0.221SC*.THydrogen-bonded Turntrans-63.5122.3177.500000110.9
1149G63.1Low81.7Confident9 Ų940.4 Ų40.49%0.09323%0.228CC..THydrogen-bonded Turntrans78.814-176.900000116.2A1112 R1147 A1174A1112-G1149 PolarHBondContact O-N 3.01Å; R1147-G1149 PolarHBondContact O-N 3.47Å; G1149-A1174 WeakPolarHBondContact O-CA 3.34Å
1150E73.2Confident81.4Confident87 Ų8746.5 Ų46.541%0.40726%0.256SS..EExtended strand (participates in β ladder)trans-133.8133.2166-61.2-174.9144.100109.7R1147 L1173 A1174R1147-E1150 HydrophobicContact CB-CB 4.19Å; R1147-E1150 WeakPolarHBondContact CD-OE2 3.45Å; R1147-E1150 IonicContact CZ-OE2 2.76Å; R1147-E1150 IonicContact NE-OE2 3.43Å; R1147-E1150 IonicContact NH1-OE1 2.7Å; R1147-E1150 IonicContact NH1-OE2 3.65Å; R1147-E1150 PolarHBondContact NH1-OE2 2.94Å; R1147-E1150 PolarHBondContact O-N 3.17Å; R1147-E1150 VanDerWaalsContact O-N 3.16Å; E1150-L1173 WeakPolarHBondContact CA-O 3.32Å; E1150-A1174 HydrophobicContact CG-CB 4.11Å
1151C81.2Confident81.1Confident5 Ų550.4 Ų50.43%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-141.7153.3167.571.50000111.8V1109 M1118 S1144 R1172 L1173V1109-C1151 HydrophobicContact CG2-CB 4.28Å; M1118-C1151 HydrophobicContact CE-CB 4.45Å; S1144-C1151 WeakPolarHBondContact O-CA 3.44Å; C1151-R1172 WeakPolarHBondContact O-CA 3.43Å; C1151-L1173 PolarHBondContact N-O 3.22Å; C1151-L1173 PolarHBondContact O-N 2.87Å
1152E88.3Confident81Confident33 Ų3346.4 Ų46.415%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-123.4136.3175.4-167.5163.2151.200109.5R1124 T1143 S1144 G1170 L1171 R1172R1124-E1152 IonicContact NE-OE1 2.79Å; T1143-E1152 PolarHBondContact N-O 2.68Å; T1143-E1152 PolarHBondContact OG1-O 2.9Å; T1143-E1152 VanDerWaalsContact OG1-O 3.09Å; S1144-E1152 PolarHBondContact N-O 2.86Å; S1144-E1152 PolarHBondContact O-N 2.77Å; E1152-G1170 VanDerWaalsContact CG-CA 3.49Å; E1152-G1170 VanDerWaalsContact OE1-CA 3.24Å; E1152-G1170 WeakPolarHBondContact OE1-CA 3.37Å; E1152-L1171 WeakPolarHBondContact CA-O 3.36Å; E1152-R1172 HydrophobicContact CB-CG 4.33Å; E1152-R1172 HydrophobicContact CG-CG 4.03Å; E1152-R1172 IonicContact OE1-NH2 3.13Å; E1152-R1172 WeakPolarHBondContact OE2-CG 3.46Å; E1152-R1172 IonicContact OE2-CZ 3.37Å; E1152-R1172 VanDerWaalsContact OE2-CZ 3.31Å; E1152-R1172 IonicContact OE2-NE 2.81Å; E1152-R1172 PolarHBondContact OE2-NE 3.42Å; E1152-R1172 IonicContact OE2-NH2 3.84Å; E1152-R1172 PolarHBondContact OE2-NH2 3.13Å
1153A90.6Very high81.4Confident0 Ų048 Ų480%028%0.283CS..EExtended strand (participates in β ladder)trans-143.1155.1-17800000111.9V1103 R1141 V1142 G1170 L1171V1103-A1153 HydrophobicContact CG1-CB 3.67Å; V1103-A1153 HydrophobicContact CG2-CB 4.05Å; R1141-A1153 CarbonylContact O-C 3.13Å; R1141-A1153 VanDerWaalsContact O-CA 3.3Å; R1141-A1153 WeakPolarHBondContact O-CA 3.3Å; R1141-A1153 WeakPolarHBondContact O-CB 3.48Å; V1142-A1153 HydrophobicContact CG2-CB 4.21Å; A1153-G1170 PolarHBondContact O-N 3.3Å; A1153-L1171 PolarHBondContact N-O 3.27Å; A1153-L1171 WeakPolarHBondContact O-CB 3.48Å; A1153-L1171 PolarHBondContact O-N 3.26Å
1154D94.9Very high81.9Confident34 Ų3444.9 Ų44.918%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-109.6149.8170.9-59.9-24.2000109.7R1141 T1143 V1168 E1169 G1170R1141-D1154 PolarHBondContact N-O 2.85Å; R1141-D1154 PolarHBondContact O-N 3.07Å; T1143-D1154 HydrophobicContact CG2-CB 4.37Å; T1143-D1154 VanDerWaalsContact CG2-OD2 3.32Å; T1143-D1154 WeakPolarHBondContact CG2-OD2 3.37Å; D1154-V1168 CarbonylContact C-O 3.6Å; D1154-V1168 VanDerWaalsContact CA-O 3.27Å; D1154-V1168 WeakPolarHBondContact CA-O 3.46Å; D1154-E1169 WeakPolarHBondContact OD1-CA 3.34Å; D1154-G1170 PolarHBondContact OD1-N 2.92Å
1155L95.7Very high82.8Confident0 Ų042.7 Ų42.70%025%0.248CC..EExtended strand (participates in β ladder)trans-133.7126.9179.9-57.7175.3000110.8C1099 F1100 V1103 A1140 T1167 V1168 L1171C1099-L1155 HydrophobicContact CB-CD1 4.12Å; F1100-L1155 HydrophobicContact CD1-CD1 3.66Å; F1100-L1155 HydrophobicContact CE1-CD1 4.2Å; V1103-L1155 HydrophobicContact CG2-CD1 4.43Å; V1103-L1155 HydrophobicContact CG2-CD2 3.55Å; V1103-L1155 HydrophobicContact CG2-CG 4.31Å; A1140-L1155 HydrophobicContact CB-CD2 3.34Å; L1155-T1167 CarbonylContact O-C 3.54Å; L1155-T1167 WeakPolarHBondContact O-CA 3.42Å; L1155-V1168 HydrophobicContact CB-CB 3.96Å; L1155-V1168 HydrophobicContact CB-CG2 4.02Å; L1155-V1168 HydrophobicContact CD1-CB 4.28Å; L1155-V1168 HydrophobicContact CD1-CG2 4.12Å; L1155-V1168 HydrophobicContact CG-CB 4.36Å; L1155-V1168 PolarHBondContact N-O 3.06Å; L1155-V1168 PolarHBondContact O-N 2.85Å; L1155-L1171 HydrophobicContact CD1-CD2 3.87Å
1156D96.3Very high84.6Confident25 Ų2540.6 Ų40.613%0.13423%0.234CC..EExtended strand (participates in β ladder)trans-111.1117.2170.2-59.1-32.7000109.7Y1023 C1138 L1139 R1141 F1158 T1167Y1023-D1156 HydrophobicContact CE2-CB 3.86Å; Y1023-D1156 PolarHBondContact OH-OD2 2.75Å; C1138-D1156 CarbonylContact C-O 3.57Å; C1138-D1156 WeakPolarHBondContact CA-O 3.3Å; L1139-D1156 PolarHBondContact N-O 2.9Å; L1139-D1156 PolarHBondContact O-N 3.23Å; R1141-D1156 IonicContact NH2-OD2 3.83Å; D1156-F1158 WeakPolarHBondContact O-CD1 3.24Å; D1156-F1158 WeakPolarHBondContact O-CE1 3.07Å; D1156-T1167 WeakPolarHBondContact OD1-CG2 3.3Å
1157V96.1Very high86.6Confident4 Ų436 Ų362%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-98.7130.1178.3-174.60000109.6C1099 A1135 Y1137 C1138 L1165 L1166C1099-V1157 HydrophobicContact CB-CG2 4.34Å; A1135-V1157 HydrophobicContact CB-CG1 3.87Å; Y1137-V1157 WeakPolarHBondContact O-CA 3.4Å; C1138-V1157 HydrophobicContact CB-CG2 4.25Å; V1157-L1165 PolarHBondContact O-N 2.81Å; V1157-L1166 HydrophobicContact CB-CB 4.33Å; V1157-L1166 HydrophobicContact CB-CD2 4.5Å; V1157-L1166 HydrophobicContact CG2-CD2 3.86Å; V1157-L1166 PolarHBondContact N-O 2.82Å; V1157-L1166 PolarHBondContact O-N 2.86Å
1158F96.4Very high88.6Confident0 Ų028.2 Ų28.20%017%0.172CC..EExtended strand (participates in β ladder)trans-141.9163.2-175.848.8-80.7000114.4Y1023 T1025 L1028 L1073 H1136 Y1137 L1139 D1156 T1163Y1023-F1158 AromaticContact CD2-CD1 3.87Å; Y1023-F1158 HydrophobicContact CD2-CD1 3.87Å; Y1023-F1158 AromaticContact CD2-CE1 3.89Å; Y1023-F1158 HydrophobicContact CD2-CE1 3.89Å; Y1023-F1158 HydrophobicContact CD2-CG 4.31Å; Y1023-F1158 HydrophobicContact CD2-CZ 4.32Å; Y1023-F1158 HydrophobicContact CE2-CD1 4.38Å; Y1023-F1158 HydrophobicContact CE2-CE1 4.32Å; T1025-F1158 HydrophobicContact CG2-CD2 4.21Å; T1025-F1158 HydrophobicContact CG2-CE2 4.07Å; L1028-F1158 HydrophobicContact CD1-CE1 4.41Å; L1028-F1158 HydrophobicContact CD1-CE2 3.98Å; L1028-F1158 HydrophobicContact CD1-CZ 3.51Å; L1073-F1158 HydrophobicContact CD1-CE2 4.41Å; L1073-F1158 HydrophobicContact CD1-CZ 3.7Å; H1136-F1158 PolarHBondContact N-O 2.79Å; Y1137-F1158 HydrophobicContact CD2-CD2 4.16Å; Y1137-F1158 AromaticContact CD2-CE2 3.9Å; Y1137-F1158 HydrophobicContact CD2-CE2 3.9Å; Y1137-F1158 HydrophobicContact CG-CD2 4.36Å; Y1137-F1158 AromaticContact CG-CE2 3.86Å; Y1137-F1158 HydrophobicContact CG-CE2 3.86Å; Y1137-F1158 HydrophobicContact CG-CZ 4.39Å; Y1137-F1158 PolarHBondContact N-O 3.38Å; Y1137-F1158 PolarHBondContact O-N 3.33Å; L1139-F1158 HydrophobicContact CB-CE1 3.71Å; L1139-F1158 HydrophobicContact CB-CZ 4.24Å; D1156-F1158 WeakPolarHBondContact O-CD1 3.24Å; D1156-F1158 WeakPolarHBondContact O-CE1 3.07Å; F1158-T1163 WeakPolarHBondContact CA-O 3.48Å; F1158-T1163 WeakPolarHBondContact CB-O 3.48Å
1159D93.1Very high90.3Very high26 Ų2626.1 Ų26.114%0.13915%0.147CC..  trans-81.1-178.7173.869.922000113.2S1134 A1161 G1162 T1163 L1165S1134-D1159 WeakPolarHBondContact O-CA 3.5Å; S1134-D1159 WeakPolarHBondContact O-CB 3.47Å; D1159-A1161 VanDerWaalsContact C-N 3.25Å; D1159-A1161 PolarHBondContact O-N 2.73Å; D1159-A1161 VanDerWaalsContact OD1-CA 3.31Å; D1159-A1161 WeakPolarHBondContact OD1-CA 3.36Å; D1159-A1161 WeakPolarHBondContact OD1-CB 3.37Å; D1159-A1161 PolarHBondContact OD1-N 2.82Å; D1159-G1162 PolarHBondContact O-N 2.71Å; D1159-G1162 PolarHBondContact OD1-N 2.87Å; D1159-T1163 PolarHBondContact N-O 2.88Å; D1159-T1163 VanDerWaalsContact N-O 3.13Å; D1159-T1163 PolarHBondContact OD1-N 3.29Å; D1159-T1163 PolarHBondContact OD1-OG1 2.9Å; D1159-T1163 WeakPolarHBondContact OD2-CB 3.45Å; D1159-T1163 PolarHBondContact OD2-OG1 3.09Å; D1159-L1165 HydrophobicContact CB-CD1 4.32Å
1160Q87.7Confident91.7Very high134 Ų13425.7 Ų25.763%0.62614%0.142SC*.THydrogen-bonded Turntrans-68.7-20.3178.9-166.5172.436.300113.9T1025T1025-Q1160 WeakPolarHBondContact CG2-O 3.28Å; T1025-Q1160 PolarHBondContact OG1-O 2.71Å
1161A88.2Confident92.6Very high84 Ų8421.5 Ų21.569%0.69412%0.123SC*.THydrogen-bonded Turntrans-86-9.717500000112.8D1159D1159-A1161 VanDerWaalsContact C-N 3.25Å; D1159-A1161 PolarHBondContact O-N 2.73Å; D1159-A1161 VanDerWaalsContact OD1-CA 3.31Å; D1159-A1161 WeakPolarHBondContact OD1-CA 3.36Å; D1159-A1161 WeakPolarHBondContact OD1-CB 3.37Å; D1159-A1161 PolarHBondContact OD1-N 2.82Å
1162G89.5Confident93Very high1 Ų126.4 Ų26.41%0.0114%0.141CC..  trans97.34.6-179.600000114.9G1022 Y1023 D1159 V1164G1022-G1162 CarbonylContact C-O 3.48Å; G1022-G1162 WeakPolarHBondContact CA-O 3.25Å; Y1023-G1162 PolarHBondContact N-O 2.84Å; Y1023-G1162 VanDerWaalsContact O-CA 3.24Å; Y1023-G1162 WeakPolarHBondContact O-CA 3.32Å; D1159-G1162 PolarHBondContact O-N 2.71Å; D1159-G1162 PolarHBondContact OD1-N 2.87Å; G1162-V1164 PolarHBondContact O-N 3.13Å
1163T93.6Very high92.8Very high49 Ų4925 Ų2530%0.30113%0.134SC..  trans-71.6119.9-178.1-35.30000110.1F1158 D1159 L1165F1158-T1163 WeakPolarHBondContact CA-O 3.48Å; F1158-T1163 WeakPolarHBondContact CB-O 3.48Å; D1159-T1163 PolarHBondContact N-O 2.88Å; D1159-T1163 VanDerWaalsContact N-O 3.13Å; D1159-T1163 PolarHBondContact OD1-N 3.29Å; D1159-T1163 PolarHBondContact OD1-OG1 2.9Å; D1159-T1163 WeakPolarHBondContact OD2-CB 3.45Å; D1159-T1163 PolarHBondContact OD2-OG1 3.09Å; T1163-L1165 WeakPolarHBondContact O-CG 3.48Å; T1163-L1165 PolarHBondContact O-N 3.44Å
1164V95Very high91.9Very high1 Ų125.6 Ų25.61%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-69.9125.6176.1-178.10000110.1Q1019 P1020 Y1023 G1162 T1167Q1019-V1164 PolarHBondContact NE2-O 3.46Å; P1020-V1164 HydrophobicContact CB-CB 4Å; P1020-V1164 HydrophobicContact CB-CG1 4.18Å; P1020-V1164 HydrophobicContact CB-CG2 4.1Å; P1020-V1164 HydrophobicContact CG-CB 4.14Å; P1020-V1164 HydrophobicContact CG-CG1 3.96Å; Y1023-V1164 HydrophobicContact CD2-CG2 4.02Å; Y1023-V1164 HydrophobicContact CE2-CG2 4.05Å; G1162-V1164 PolarHBondContact O-N 3.13Å; V1164-T1167 HydrophobicContact CG1-CG2 3.6Å
1165L93.7Very high90.3Very high3 Ų325 Ų252%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-103.3-40.1-175.9-50177000111.1Y1129 H1130 T1132 A1135 V1157 D1159 T1163Y1129-L1165 PolarHBondContact N-O 3.3Å; H1130-L1165 HydrophobicContact CB-CB 4.45Å; H1130-L1165 HydrophobicContact CB-CD2 3.68Å; H1130-L1165 PolarHBondContact N-O 3.47Å; H1130-L1165 VanDerWaalsContact N-O 3.13Å; T1132-L1165 HydrophobicContact CG2-CB 4.36Å; A1135-L1165 HydrophobicContact CB-CD1 3.87Å; V1157-L1165 PolarHBondContact O-N 2.81Å; D1159-L1165 HydrophobicContact CB-CD1 4.32Å; T1163-L1165 WeakPolarHBondContact O-CG 3.48Å; T1163-L1165 PolarHBondContact O-N 3.44Å
1166L94.6Very high87.8Confident1 Ų127.7 Ų27.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-148.8140.4-176.7173.7147.5000110.5L949 L1096 L1126 R1127 N1128 T1132 V1157 V1168L949-L1166 HydrophobicContact CD1-CD1 4.31Å; L1096-L1166 HydrophobicContact CD1-CD2 3.86Å; L1126-L1166 HydrophobicContact CD1-CD1 4.46Å; L1126-L1166 HydrophobicContact CD1-CD2 4.26Å; L1126-L1166 HydrophobicContact CD1-CG 4.4Å; R1127-L1166 WeakPolarHBondContact O-CA 3.34Å; R1127-L1166 WeakPolarHBondContact O-CG 3.48Å; N1128-L1166 HydrophobicContact CB-CD1 4.33Å; T1132-L1166 HydrophobicContact CG2-CB 4.1Å; T1132-L1166 HydrophobicContact CG2-CD1 4.35Å; V1157-L1166 HydrophobicContact CB-CB 4.33Å; V1157-L1166 HydrophobicContact CB-CD2 4.5Å; V1157-L1166 HydrophobicContact CG2-CD2 3.86Å; V1157-L1166 PolarHBondContact N-O 2.82Å; V1157-L1166 PolarHBondContact O-N 2.86Å; L1166-V1168 HydrophobicContact CD2-CG2 3.69Å
1167T96.1Very high85.3Confident9 Ų928.9 Ų28.96%0.05517%0.172CC..EExtended strand (participates in β ladder)trans-126.4131.4175.761.20000111.5P1020 R1127 Y1129 L1155 D1156 V1164P1020-T1167 HydrophobicContact CG-CG2 4.34Å; R1127-T1167 PolarHBondContact N-O 3.02Å; R1127-T1167 PolarHBondContact O-N 2.84Å; Y1129-T1167 HydrophobicContact CE2-CG2 3.72Å; Y1129-T1167 WeakPolarHBondContact CE2-OG1 3.43Å; Y1129-T1167 PolarHBondContact OH-OG1 2.64Å; L1155-T1167 CarbonylContact O-C 3.54Å; L1155-T1167 WeakPolarHBondContact O-CA 3.42Å; D1156-T1167 WeakPolarHBondContact OD1-CG2 3.3Å; V1164-T1167 HydrophobicContact CG1-CG2 3.6Å
1168V95.9Very high82.8Confident0 Ų031.5 Ų31.50%019%0.191CC..EExtended strand (participates in β ladder)trans-109.9115.8173.8-164.40000107.2L1096 F1100 V1123 L1126 D1154 L1155 L1166 L1171L1096-V1168 HydrophobicContact CD1-CG2 3.99Å; F1100-V1168 HydrophobicContact CE1-CG1 4.18Å; F1100-V1168 HydrophobicContact CE1-CG2 4.24Å; V1123-V1168 HydrophobicContact CB-CG1 4.45Å; V1123-V1168 HydrophobicContact CG1-CG1 3.61Å; V1123-V1168 HydrophobicContact CG2-CG1 3.92Å; L1126-V1168 HydrophobicContact CD1-CB 4.35Å; L1126-V1168 HydrophobicContact CD1-CG1 4.34Å; L1126-V1168 HydrophobicContact CD1-CG2 3.82Å; D1154-V1168 CarbonylContact C-O 3.6Å; D1154-V1168 VanDerWaalsContact CA-O 3.27Å; D1154-V1168 WeakPolarHBondContact CA-O 3.46Å; L1155-V1168 HydrophobicContact CB-CB 3.96Å; L1155-V1168 HydrophobicContact CB-CG2 4.02Å; L1155-V1168 HydrophobicContact CD1-CB 4.28Å; L1155-V1168 HydrophobicContact CD1-CG2 4.12Å; L1155-V1168 HydrophobicContact CG-CB 4.36Å; L1155-V1168 PolarHBondContact N-O 3.06Å; L1155-V1168 PolarHBondContact O-N 2.85Å; L1166-V1168 HydrophobicContact CD2-CG2 3.69Å; V1168-L1171 HydrophobicContact CG1-CB 4.15Å
1169E94.4Very high80.2Confident43 Ų4340 Ų4020%0.20123%0.231CC..EExtended strand (participates in β ladder)trans-105.1137.3173.7-42.5176.6-161.300111R1124 R1125 D1154R1124-E1169 WeakPolarHBondContact CB-O 3.2Å; R1124-E1169 IonicContact CZ-OE2 2.7Å; R1124-E1169 VanDerWaalsContact CZ-OE2 3.23Å; R1124-E1169 PolarHBondContact N-O 2.72Å; R1124-E1169 VanDerWaalsContact N-O 3.16Å; R1124-E1169 IonicContact NH1-OE2 3.35Å; R1124-E1169 PolarHBondContact NH1-OE2 3.07Å; R1124-E1169 VanDerWaalsContact NH2-CB 3.27Å; R1124-E1169 IonicContact NH2-OE2 3.49Å; R1124-E1169 PolarHBondContact NH2-OE2 2.98Å; R1125-E1169 HydrophobicContact CB-CB 3.93Å; R1125-E1169 HydrophobicContact CB-CG 4.07Å; R1125-E1169 WeakPolarHBondContact CD-OE1 3.48Å; R1125-E1169 IonicContact CZ-OE1 2.73Å; R1125-E1169 PolarHBondContact N-O 2.97Å; R1125-E1169 IonicContact NE-OE1 2.71Å; R1125-E1169 IonicContact NH2-OE1 2.69Å; R1125-E1169 PolarHBondContact NH2-OE1 2.87Å; R1125-E1169 PolarHBondContact O-N 2.91Å; D1154-E1169 WeakPolarHBondContact OD1-CA 3.34Å
1170G91.3Very high78.1Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans59.946175.600000113.6V1123 R1124 E1152 A1153 D1154 R1172V1123-G1170 WeakPolarHBondContact CA-O 3.39Å; R1124-G1170 PolarHBondContact N-O 3.02Å; E1152-G1170 VanDerWaalsContact CG-CA 3.49Å; E1152-G1170 VanDerWaalsContact OE1-CA 3.24Å; E1152-G1170 WeakPolarHBondContact OE1-CA 3.37Å; A1153-G1170 PolarHBondContact O-N 3.3Å; D1154-G1170 PolarHBondContact OD1-N 2.92Å; G1170-R1172 PolarHBondContact O-N 2.84Å; G1170-R1172 VanDerWaalsContact O-N 3.15Å
1171L93.2Very high76.2Confident0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-63.4108.4165.2171.561.1000108.2F1100 V1103 P1120 V1123 E1152 A1153 L1155 V1168 L1173F1100-L1171 HydrophobicContact CB-CD2 4.1Å; F1100-L1171 HydrophobicContact CD1-CD1 4.45Å; F1100-L1171 HydrophobicContact CD1-CD2 3.57Å; F1100-L1171 HydrophobicContact CD2-CD1 4.21Å; F1100-L1171 HydrophobicContact CD2-CD2 4.38Å; F1100-L1171 HydrophobicContact CE1-CD1 4.31Å; F1100-L1171 HydrophobicContact CE1-CD2 4.03Å; F1100-L1171 HydrophobicContact CE2-CD1 4.07Å; F1100-L1171 HydrophobicContact CG-CD1 4.39Å; F1100-L1171 HydrophobicContact CG-CD2 3.76Å; F1100-L1171 HydrophobicContact CZ-CD1 4.12Å; V1103-L1171 HydrophobicContact CG2-CD2 4.09Å; P1120-L1171 HydrophobicContact CB-CD1 4.13Å; V1123-L1171 HydrophobicContact CG2-CB 4.29Å; V1123-L1171 HydrophobicContact CG2-CD1 3.63Å; E1152-L1171 WeakPolarHBondContact CA-O 3.36Å; A1153-L1171 PolarHBondContact N-O 3.27Å; A1153-L1171 WeakPolarHBondContact O-CB 3.48Å; A1153-L1171 PolarHBondContact O-N 3.26Å; L1155-L1171 HydrophobicContact CD1-CD2 3.87Å; V1168-L1171 HydrophobicContact CG1-CB 4.15Å; L1171-L1173 HydrophobicContact CD1-CD2 4.08Å; L1171-L1173 HydrophobicContact CD2-CD2 4.34Å; L1171-L1173 HydrophobicContact CG-CD2 4.03Å
1172R88.6Confident74.5Confident108 Ų10845 Ų4541%0.40823%0.234SC..EExtended strand (participates in β ladder)trans-91.9118.1176.5-70.1-174.1-176.3121.123.2110P1120 V1121 G1122 C1151 E1152 G1170P1120-R1172 WeakPolarHBondContact CA-O 3.45Å; V1121-R1172 HydrophobicContact CG2-CB 3.93Å; V1121-R1172 WeakPolarHBondContact CG2-O 3.32Å; V1121-R1172 PolarHBondContact N-O 2.68Å; G1122-R1172 PolarHBondContact N-O 2.74Å; G1122-R1172 PolarHBondContact O-N 3.5Å; C1151-R1172 WeakPolarHBondContact O-CA 3.43Å; E1152-R1172 HydrophobicContact CB-CG 4.33Å; E1152-R1172 HydrophobicContact CG-CG 4.03Å; E1152-R1172 IonicContact OE1-NH2 3.13Å; E1152-R1172 WeakPolarHBondContact OE2-CG 3.46Å; E1152-R1172 IonicContact OE2-CZ 3.37Å; E1152-R1172 VanDerWaalsContact OE2-CZ 3.31Å; E1152-R1172 IonicContact OE2-NE 2.81Å; E1152-R1172 PolarHBondContact OE2-NE 3.42Å; E1152-R1172 IonicContact OE2-NH2 3.84Å; E1152-R1172 PolarHBondContact OE2-NH2 3.13Å; G1170-R1172 PolarHBondContact O-N 2.84Å; G1170-R1172 VanDerWaalsContact O-N 3.15Å
1173L83.4Confident73.1Confident4 Ų445.8 Ų45.82%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-97.5131.4165.4-48-178.2000108.5V1103 L1104 M1118 L1119 P1120 E1150 C1151 L1171V1103-L1173 HydrophobicContact CB-CD1 4.25Å; V1103-L1173 HydrophobicContact CG1-CD1 3.87Å; L1104-L1173 HydrophobicContact CD2-CD1 3.7Å; L1104-L1173 HydrophobicContact CG-CD1 4.39Å; M1118-L1173 HydrophobicContact CB-CB 4.31Å; M1118-L1173 HydrophobicContact CE-CB 3.9Å; M1118-L1173 WeakPolarHBondContact CE-O 3.48Å; L1119-L1173 CarbonylContact O-C 3.55Å; L1119-L1173 VanDerWaalsContact O-CA 3.24Å; L1119-L1173 WeakPolarHBondContact O-CA 3.37Å; P1120-L1173 HydrophobicContact CB-CD2 4.16Å; P1120-L1173 HydrophobicContact CG-CD2 3.85Å; E1150-L1173 WeakPolarHBondContact CA-O 3.32Å; C1151-L1173 PolarHBondContact N-O 3.22Å; C1151-L1173 PolarHBondContact O-N 2.87Å; L1171-L1173 HydrophobicContact CD1-CD2 4.08Å; L1171-L1173 HydrophobicContact CD2-CD2 4.34Å; L1171-L1173 HydrophobicContact CG-CD2 4.03Å
1174A72Confident71.7Confident11 Ų1146.2 Ų46.29%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-154.1161.6173.700000111.4L1119 V1121 G1149 E1150 G1176L1119-A1174 PolarHBondContact N-O 3.44Å; L1119-A1174 PolarHBondContact O-N 3.2Å; L1119-A1174 VanDerWaalsContact O-O 3.04Å; V1121-A1174 HydrophobicContact CB-CB 4.41Å; V1121-A1174 HydrophobicContact CG1-CB 3.87Å; V1121-A1174 HydrophobicContact CG2-CB 3.64Å; G1149-A1174 WeakPolarHBondContact O-CA 3.34Å; E1150-A1174 HydrophobicContact CG-CB 4.11Å; A1174-G1176 PolarHBondContact O-N 3.18Å
1175A61.3Low70.2Confident23 Ų2352.6 Ų52.619%0.1927%0.265CS..  trans-86.884.1173.500000110.7I1177 R1182A1175-I1177 PolarHBondContact O-N 3.09Å; A1175-I1177 VanDerWaalsContact O-N 3.14Å; A1175-R1182 PolarHBondContact O-NH1 3.32Å
1176G44.1Very low69.1Low56 Ų5654.1 Ų54.158%0.57728%0.275SS*.  trans-7786.3-169.300000115.8A1174A1174-G1176 PolarHBondContact O-N 3.18Å
1177I42.8Very low68.6Low50 Ų5054.3 Ų54.326%0.25628%0.275SS..SBendtrans-145.5145.7165.8-45165.6000106.7A1175 E1181 R1182 R1185A1175-I1177 PolarHBondContact O-N 3.09Å; A1175-I1177 VanDerWaalsContact O-N 3.14Å; I1177-E1181 HydrophobicContact CG2-CB 3.7Å; I1177-R1182 HydrophobicContact CB-CB 3.73Å; I1177-R1182 HydrophobicContact CB-CG 4.14Å; I1177-R1182 HydrophobicContact CD1-CG 4.3Å; I1177-R1182 HydrophobicContact CG2-CB 4.1Å; I1177-R1182 VanDerWaalsContact CG2-N 3.31Å; I1177-R1185 HydrophobicContact CD1-CB 4.46Å
1178S43.3Very low67.7Low59 Ų5956.7 Ų56.741%0.41329%0.287SS..  trans-56.3145.9177.382.30000110.7H1180 E1181 R1182S1178-H1180 PolarHBondContact O-N 2.82Å; S1178-E1181 VanDerWaalsContact CB-OE2 3.3Å; S1178-E1181 WeakPolarHBondContact CB-OE2 3.29Å; S1178-E1181 PolarHBondContact O-N 3.38Å; S1178-E1181 WeakPolarHBondContact OG-CB 3.5Å; S1178-E1181 WeakPolarHBondContact OG-CG 3.11Å; S1178-E1181 PolarHBondContact OG-N 2.78Å; S1178-E1181 PolarHBondContact OG-OE2 3.47Å; S1178-R1182 WeakPolarHBondContact O-CB 3.43Å; S1178-R1182 PolarHBondContact O-N 3.36Å
1179E43.6Very low66.9Low179 Ų17959.3 Ų59.384%0.83630%0.3SS*.Hα-helixtrans-57.4-33.3-167.6-166.8173.6-155.400113.4A1183E1179-A1183 WeakPolarHBondContact O-CB 3.21Å; E1179-A1183 PolarHBondContact O-N 2.87Å
1180H48Very low66.5Low131 Ų13159.4 Ų59.461%0.60630%0.298SS*.Hα-helixtrans-74.1-44.6174.4-172.474.2000113.5S1178 A1183 N1184S1178-H1180 PolarHBondContact O-N 2.82Å; H1180-A1183 WeakPolarHBondContact O-CB 3.47Å; H1180-A1183 PolarHBondContact O-N 3.05Å; H1180-N1184 PolarHBondContact CD2-ND2 2.7Å; H1180-N1184 VanDerWaalsContact CD2-ND2 3.34Å; H1180-N1184 PolarHBondContact NE2-ND2 2.85Å; H1180-N1184 PolarHBondContact O-N 2.72Å; H1180-N1184 PolarHBondContact O-ND2 3.16Å; H1180-N1184 PolarHBondContact O-OD1 2.85Å
1181E48.4Very low66.6Low118 Ų11859.4 Ų59.455%0.55130%0.298SS*.Hα-helixtrans-74-29.8179-65.8164.2133.400111.7I1177 S1178 N1184 R1185I1177-E1181 HydrophobicContact CG2-CB 3.7Å; S1178-E1181 VanDerWaalsContact CB-OE2 3.3Å; S1178-E1181 WeakPolarHBondContact CB-OE2 3.29Å; S1178-E1181 PolarHBondContact O-N 3.38Å; S1178-E1181 WeakPolarHBondContact OG-CB 3.5Å; S1178-E1181 WeakPolarHBondContact OG-CG 3.11Å; S1178-E1181 PolarHBondContact OG-N 2.78Å; S1178-E1181 PolarHBondContact OG-OE2 3.47Å; E1181-N1184 PolarHBondContact O-N 2.79Å; E1181-R1185 VanDerWaalsContact O-CB 3.29Å; E1181-R1185 WeakPolarHBondContact O-CB 3.36Å; E1181-R1185 PolarHBondContact O-N 3.44Å
1182R52.4Low66.5Low99 Ų9959.5 Ų59.537%0.37430%0.299SS..Hα-helixtrans-62.7-49.5169.8-168.3161.4163.6-168.2-15.7109.7A1175 I1177 S1178 N1184 V1186A1175-R1182 PolarHBondContact O-NH1 3.32Å; I1177-R1182 HydrophobicContact CB-CB 3.73Å; I1177-R1182 HydrophobicContact CB-CG 4.14Å; I1177-R1182 HydrophobicContact CD1-CG 4.3Å; I1177-R1182 HydrophobicContact CG2-CB 4.1Å; I1177-R1182 VanDerWaalsContact CG2-N 3.31Å; S1178-R1182 WeakPolarHBondContact O-CB 3.43Å; S1178-R1182 PolarHBondContact O-N 3.36Å; R1182-N1184 VanDerWaalsContact C-N 3.34Å; R1182-N1184 PolarHBondContact O-N 3.38Å; R1182-V1186 HydrophobicContact CG-CG2 4.47Å; R1182-V1186 VanDerWaalsContact O-CB 3.28Å; R1182-V1186 WeakPolarHBondContact O-CB 3.45Å; R1182-V1186 VanDerWaalsContact O-CG2 3.25Å; R1182-V1186 WeakPolarHBondContact O-CG2 2.98Å; R1182-V1186 PolarHBondContact O-N 2.66Å
1183A60.4Low66.6Low18 Ų1855.4 Ų55.415%0.14929%0.286CS..Hα-helixtrans-57.3-46.3174.700000111.3E1179 H1180 F1187 R1945E1179-A1183 WeakPolarHBondContact O-CB 3.21Å; E1179-A1183 PolarHBondContact O-N 2.87Å; H1180-A1183 WeakPolarHBondContact O-CB 3.47Å; H1180-A1183 PolarHBondContact O-N 3.05Å; A1183-F1187 WeakPolarHBondContact O-CB 3.4Å; A1183-F1187 PolarHBondContact O-N 2.79Å; A1183-R1945 VanDerWaalsContact CB-CZ 3.49Å; A1183-R1945 PolarHBondContact O-NH1 3.41Å; A1183-R1945 PolarHBondContact O-NH2 2.98Å
1184N64.3Low67Low58 Ų5856.5 Ų56.531%0.3129%0.292SS..Hα-helixtrans-68.2-48.5179.8-65.7-13.3000112H1180 E1181 R1182 V1186 F1187 D1188H1180-N1184 PolarHBondContact CD2-ND2 2.7Å; H1180-N1184 VanDerWaalsContact CD2-ND2 3.34Å; H1180-N1184 PolarHBondContact NE2-ND2 2.85Å; H1180-N1184 PolarHBondContact O-N 2.72Å; H1180-N1184 PolarHBondContact O-ND2 3.16Å; H1180-N1184 PolarHBondContact O-OD1 2.85Å; E1181-N1184 PolarHBondContact O-N 2.79Å; R1182-N1184 VanDerWaalsContact C-N 3.34Å; R1182-N1184 PolarHBondContact O-N 3.38Å; N1184-V1186 PolarHBondContact O-N 2.88Å; N1184-F1187 WeakPolarHBondContact O-CA 3.45Å; N1184-F1187 WeakPolarHBondContact O-CB 3.43Å; N1184-F1187 PolarHBondContact O-N 2.9Å; N1184-D1188 PolarHBondContact O-N 3.3Å
1185R62.8Low67.9Low135 Ų13558.5 Ų58.551%0.50930%0.299SS..Hα-helixtrans-60.6-49.2178.7-163.8-166.1-62-172.21.7111.9I1177 E1181 F1187 D1188 E1189I1177-R1185 HydrophobicContact CD1-CB 4.46Å; E1181-R1185 VanDerWaalsContact O-CB 3.29Å; E1181-R1185 WeakPolarHBondContact O-CB 3.36Å; E1181-R1185 PolarHBondContact O-N 3.44Å; R1185-F1187 PolarHBondContact O-N 2.76Å; R1185-D1188 PolarHBondContact O-N 2.85Å; R1185-E1189 WeakPolarHBondContact CD-OE1 3.41Å; R1185-E1189 HydrophobicContact CG-CG 4.41Å; R1185-E1189 VanDerWaalsContact CG-OE1 3.26Å; R1185-E1189 WeakPolarHBondContact CG-OE1 3.38Å; R1185-E1189 WeakPolarHBondContact O-CB 3.48Å; R1185-E1189 VanDerWaalsContact O-CG 3.27Å; R1185-E1189 WeakPolarHBondContact O-CG 3.35Å; R1185-E1189 PolarHBondContact O-N 3.14Å
1186V70Confident69.5Low35 Ų3559.5 Ų59.521%0.21230%0.298CS..Hα-helixtrans-59.8-38.6174.2172.30000110.4R1182 N1184 E1189 R1190R1182-V1186 HydrophobicContact CG-CG2 4.47Å; R1182-V1186 VanDerWaalsContact O-CB 3.28Å; R1182-V1186 WeakPolarHBondContact O-CB 3.45Å; R1182-V1186 VanDerWaalsContact O-CG2 3.25Å; R1182-V1186 WeakPolarHBondContact O-CG2 2.98Å; R1182-V1186 PolarHBondContact O-N 2.66Å; N1184-V1186 PolarHBondContact O-N 2.88Å; V1186-E1189 PolarHBondContact O-N 3.2Å; V1186-R1190 HydrophobicContact CG1-CG 3.91Å; V1186-R1190 VanDerWaalsContact O-CB 3.25Å; V1186-R1190 WeakPolarHBondContact O-CB 3.42Å; V1186-R1190 WeakPolarHBondContact O-CG 3.29Å; V1186-R1190 PolarHBondContact O-N 3.07Å
1187F84.5Confident71.8Confident5 Ų560 Ų602%0.02229%0.285CS..Hα-helixtrans-63.5-45.5177.4171.9-93000112.8A1183 N1184 R1185 R1190 L1191 L1384 A1946 T1949 L1950 Y1960A1183-F1187 WeakPolarHBondContact O-CB 3.4Å; A1183-F1187 PolarHBondContact O-N 2.79Å; N1184-F1187 WeakPolarHBondContact O-CA 3.45Å; N1184-F1187 WeakPolarHBondContact O-CB 3.43Å; N1184-F1187 PolarHBondContact O-N 2.9Å; R1185-F1187 PolarHBondContact O-N 2.76Å; F1187-R1190 PolarHBondContact O-N 2.95Å; F1187-L1191 HydrophobicContact CD1-CD1 3.9Å; F1187-L1191 HydrophobicContact CE1-CD1 3.36Å; F1187-L1191 HydrophobicContact CE1-CG 4.28Å; F1187-L1191 HydrophobicContact CE2-CD1 4.37Å; F1187-L1191 HydrophobicContact CZ-CD1 3.64Å; F1187-L1191 HydrophobicContact CZ-CD2 4.47Å; F1187-L1191 HydrophobicContact CZ-CG 4.25Å; F1187-L1191 WeakPolarHBondContact O-CG 3.36Å; F1187-L1191 PolarHBondContact O-N 3.3Å; F1187-L1191 VanDerWaalsContact O-N 3.15Å; F1187-L1384 HydrophobicContact CE1-CD1 3.52Å; F1187-L1384 HydrophobicContact CE1-CG 3.96Å; F1187-L1384 HydrophobicContact CZ-CD1 3.72Å; F1187-L1384 HydrophobicContact CZ-CG 4.32Å; F1187-A1946 HydrophobicContact CD2-CB 3.81Å; F1187-A1946 HydrophobicContact CE2-CB 3.86Å; F1187-T1949 HydrophobicContact CE1-CG2 3.77Å; F1187-T1949 HydrophobicContact CE2-CG2 4.1Å; F1187-T1949 HydrophobicContact CZ-CG2 3.51Å; F1187-L1950 HydrophobicContact CE2-CG 4.16Å; F1187-L1950 HydrophobicContact CZ-CD2 4.29Å; F1187-L1950 HydrophobicContact CZ-CG 4.06Å; F1187-Y1960 HydrophobicContact CD2-CD2 4.36Å; F1187-Y1960 AromaticContact CD2-CE2 3.54Å; F1187-Y1960 HydrophobicContact CD2-CE2 3.54Å; F1187-Y1960 HydrophobicContact CE2-CD2 4.45Å; F1187-Y1960 HydrophobicContact CE2-CE2 4.04Å; F1187-Y1960 HydrophobicContact CG-CE2 4.25Å
1188D77.6Confident74.1Confident58 Ų5866 Ų6631%0.3131%0.305SS..Hα-helixtrans-68.7-35.5176.2-73.2-43.6000112.5N1184 R1185 R1190 L1191 P1383 L1384N1184-D1188 PolarHBondContact O-N 3.3Å; R1185-D1188 PolarHBondContact O-N 2.85Å; D1188-R1190 VanDerWaalsContact C-N 3.31Å; D1188-R1190 PolarHBondContact O-N 2.82Å; D1188-L1191 PolarHBondContact O-N 3.07Å; D1188-P1383 HydrophobicContact CB-CB 4.02Å; D1188-P1383 WeakPolarHBondContact OD1-CA 3.11Å; D1188-P1383 WeakPolarHBondContact OD1-CB 3.17Å; D1188-L1384 PolarHBondContact OD1-N 3.44Å
1189E77.5Confident76Confident56 Ų5664.3 Ų64.326%0.26230%0.296SS..Hα-helixtrans-67.8-26.4174-74.9169.1-171.400113.7R1185 V1186 M1964R1185-E1189 WeakPolarHBondContact CD-OE1 3.41Å; R1185-E1189 HydrophobicContact CG-CG 4.41Å; R1185-E1189 VanDerWaalsContact CG-OE1 3.26Å; R1185-E1189 WeakPolarHBondContact CG-OE1 3.38Å; R1185-E1189 WeakPolarHBondContact O-CB 3.48Å; R1185-E1189 VanDerWaalsContact O-CG 3.27Å; R1185-E1189 WeakPolarHBondContact O-CG 3.35Å; R1185-E1189 PolarHBondContact O-N 3.14Å; V1186-E1189 PolarHBondContact O-N 3.2Å; E1189-M1964 HydrophobicContact CB-CE 3.91Å; E1189-M1964 HydrophobicContact CG-CE 4.06Å; E1189-M1964 VanDerWaalsContact O-CE 3.31Å; E1189-M1964 WeakPolarHBondContact O-CE 3.32Å; E1189-M1964 WeakPolarHBondContact O-CG 3.37Å
1190R87.5Confident77.9Confident45 Ų4564.1 Ų64.117%0.1730%0.295CS..Hα-helixtrans-90.4-14.4178.5-65.8-74.3-173.3-116.19.9112.9V1186 F1187 D1188 E1942 Y1960 A1961 P1962V1186-R1190 HydrophobicContact CG1-CG 3.91Å; V1186-R1190 VanDerWaalsContact O-CB 3.25Å; V1186-R1190 WeakPolarHBondContact O-CB 3.42Å; V1186-R1190 WeakPolarHBondContact O-CG 3.29Å; V1186-R1190 PolarHBondContact O-N 3.07Å; F1187-R1190 PolarHBondContact O-N 2.95Å; D1188-R1190 VanDerWaalsContact C-N 3.31Å; D1188-R1190 PolarHBondContact O-N 2.82Å; R1190-E1942 IonicContact NE-OE1 3.4Å; R1190-Y1960 HydrophobicContact CB-CD1 4.41Å; R1190-Y1960 HydrophobicContact CB-CD2 3.98Å; R1190-Y1960 HydrophobicContact CB-CE1 3.96Å; R1190-Y1960 HydrophobicContact CB-CE2 3.46Å; R1190-Y1960 VanDerWaalsContact CB-CE2 3.46Å; R1190-Y1960 HydrophobicContact CB-CG 4.43Å; R1190-Y1960 VanDerWaalsContact CB-CZ 3.45Å; R1190-Y1960 HydrophobicContact CG-CE1 4.37Å; R1190-Y1960 HydrophobicContact CG-CE2 4.44Å; R1190-Y1960 WeakPolarHBondContact O-CA 3.26Å; R1190-A1961 PolarHBondContact O-N 2.96Å; R1190-P1962 VanDerWaalsContact CD-CA 3.42Å; R1190-P1962 VanDerWaalsContact CZ-CB 3.48Å
1191L92.7Very high79.7Confident0 Ų059.9 Ų59.90%028%0.277CS..EExtended strand (participates in β ladder)trans-80.4130.9-179.7-85.1175.2000112.1F1187 D1188 G1382 L1384 L1950 Y1960F1187-L1191 HydrophobicContact CD1-CD1 3.9Å; F1187-L1191 HydrophobicContact CE1-CD1 3.36Å; F1187-L1191 HydrophobicContact CE1-CG 4.28Å; F1187-L1191 HydrophobicContact CE2-CD1 4.37Å; F1187-L1191 HydrophobicContact CZ-CD1 3.64Å; F1187-L1191 HydrophobicContact CZ-CD2 4.47Å; F1187-L1191 HydrophobicContact CZ-CG 4.25Å; F1187-L1191 WeakPolarHBondContact O-CG 3.36Å; F1187-L1191 PolarHBondContact O-N 3.3Å; F1187-L1191 VanDerWaalsContact O-N 3.15Å; D1188-L1191 PolarHBondContact O-N 3.07Å; L1191-G1382 WeakPolarHBondContact CB-O 3.38Å; L1191-G1382 PolarHBondContact O-N 2.85Å; L1191-L1384 HydrophobicContact CD1-CD2 4.47Å; L1191-L1384 HydrophobicContact CD1-CG 3.96Å; L1191-L1950 HydrophobicContact CD2-CD1 4.42Å; L1191-L1950 HydrophobicContact CD2-CD2 4.12Å; L1191-Y1960 HydrophobicContact CD2-CD2 3.99Å; L1191-Y1960 HydrophobicContact CG-CD2 4.19Å
1192L91Very high81.2Confident1 Ų157 Ų571%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-126.6147.1178.1-57.5162.6000109.8L1379 L1883 G1959 A1961 I1963L1192-L1379 HydrophobicContact CB-CD1 4.02Å; L1192-L1379 HydrophobicContact CD1-CD1 4.49Å; L1192-L1379 HydrophobicContact CD2-CD1 4.34Å; L1192-L1883 HydrophobicContact CB-CD2 4.06Å; L1192-L1883 HydrophobicContact CD1-CD2 3.86Å; L1192-G1959 PolarHBondContact N-O 3.35Å; L1192-G1959 PolarHBondContact O-N 2.81Å; L1192-A1961 HydrophobicContact CD1-CB 3.96Å; L1192-I1963 HydrophobicContact CD1-CD1 3.4Å; L1192-I1963 VanDerWaalsContact CD1-CD1 3.4Å; L1192-I1963 HydrophobicContact CD1-CG1 3.8Å; L1192-I1963 HydrophobicContact CD2-CD1 4.06Å; L1192-I1963 HydrophobicContact CD2-CG1 4.24Å; L1192-I1963 HydrophobicContact CG-CD1 4.37Å
1193T91.5Very high82.3Confident23 Ų2361.1 Ų61.114%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-136160.9169.1-169.80000110.6E1195 L1379 R1380T1193-E1195 HydrophobicContact CG2-CG 3.62Å; T1193-L1379 WeakPolarHBondContact O-CA 3.28Å; T1193-R1380 PolarHBondContact N-O 3.26Å; T1193-R1380 PolarHBondContact O-N 2.6Å
1194I91.9Very high82.6Confident27 Ų2763.4 Ų63.414%0.13830%0.304CS..EExtended strand (participates in β ladder)trans-95.8118.8163.6-53.8167.7000105.7A1377 R1378 L1883 Y1957 F1978I1194-A1377 HydrophobicContact CG2-CB 4.01Å; I1194-R1378 CarbonylContact C-O 3.54Å; I1194-R1378 WeakPolarHBondContact CA-O 3.42Å; I1194-L1883 HydrophobicContact CD1-CD1 3.81Å; I1194-L1883 HydrophobicContact CG1-CD1 3.62Å; I1194-Y1957 HydrophobicContact CD1-CE1 4.17Å; I1194-Y1957 HydrophobicContact CG1-CE1 4.36Å; I1194-F1978 HydrophobicContact CD1-CZ 4.18Å; I1194-F1978 HydrophobicContact CG1-CE2 4.43Å; I1194-F1978 HydrophobicContact CG1-CZ 3.92Å; I1194-F1978 HydrophobicContact CG2-CE2 3.96Å; I1194-F1978 HydrophobicContact CG2-CZ 4.3Å
1195E91.1Very high82.5Confident52 Ų5263.9 Ų63.924%0.24331%0.311CS..EExtended strand (participates in β ladder)trans-101.7150.9168-52.2-147.894.400109.1T1193 A1377 R1378 R1385T1193-E1195 HydrophobicContact CG2-CG 3.62Å; E1195-A1377 WeakPolarHBondContact O-CA 3.46Å; E1195-R1378 PolarHBondContact N-O 2.74Å; E1195-R1378 PolarHBondContact O-N 2.99Å; E1195-R1385 VanDerWaalsContact CD-NH2 3.26Å; E1195-R1385 IonicContact OE1-CZ 3.5Å; E1195-R1385 VanDerWaalsContact OE1-CZ 3.24Å; E1195-R1385 IonicContact OE1-NH1 3.19Å; E1195-R1385 PolarHBondContact OE1-NH1 2.92Å; E1195-R1385 IonicContact OE1-NH2 2.81Å; E1195-R1385 PolarHBondContact OE1-NH2 3.24Å; E1195-R1385 IonicContact OE2-NH2 3.13Å; E1195-R1385 PolarHBondContact OE2-NH2 2.99Å
1196W93.5Very high82.3Confident45 Ų4567.5 Ų67.517%0.1733%0.333CS..EExtended strand (participates in β ladder)trans-111116.1176-74.199.5000108.9A1308 S1309 V1310 E1366 A1368 T1376 A1377W1196-A1308 HydrophobicContact CH2-CB 4.28Å; W1196-A1308 HydrophobicContact CZ2-CB 3.54Å; W1196-S1309 PolarHBondContact NE1-O 2.68Å; W1196-V1310 HydrophobicContact CB-CG1 3.97Å; W1196-V1310 HydrophobicContact CD2-CB 4.36Å; W1196-V1310 HydrophobicContact CD2-CG1 4.02Å; W1196-V1310 HydrophobicContact CD2-CG2 3.99Å; W1196-V1310 HydrophobicContact CE3-CG1 4.32Å; W1196-V1310 HydrophobicContact CE3-CG2 4.36Å; W1196-V1310 HydrophobicContact CG-CB 4.29Å; W1196-V1310 HydrophobicContact CG-CG1 3.89Å; W1196-V1310 HydrophobicContact CG-CG2 4.42Å; W1196-V1310 HydrophobicContact CH2-CG2 4.39Å; W1196-V1310 HydrophobicContact CZ2-CG2 4.02Å; W1196-E1366 HydrophobicContact CH2-CB 4.48Å; W1196-A1368 HydrophobicContact CE3-CB 4.36Å; W1196-A1368 HydrophobicContact CH2-CB 4.1Å; W1196-A1368 HydrophobicContact CZ3-CB 3.82Å; W1196-T1376 WeakPolarHBondContact CA-O 3.4Å; W1196-A1377 HydrophobicContact CD2-CB 4.19Å; W1196-A1377 HydrophobicContact CE3-CB 3.91Å; W1196-A1377 HydrophobicContact CH2-CB 3.91Å; W1196-A1377 HydrophobicContact CZ2-CB 4.17Å; W1196-A1377 HydrophobicContact CZ3-CB 3.77Å
1197E92.6Very high81.8Confident67 Ų6771.4 Ų71.431%0.31335%0.351SS..EExtended strand (participates in β ladder)trans-100.2134.6-177.6-78163.5-121.100109.7G1199 Y1375 T1376 R1378 R1380E1197-G1199 PolarHBondContact O-N 2.93Å; E1197-Y1375 CarbonylContact O-C 3.5Å; E1197-Y1375 VanDerWaalsContact O-CA 3.24Å; E1197-Y1375 WeakPolarHBondContact O-CA 3.21Å; E1197-T1376 PolarHBondContact N-O 3.1Å; E1197-T1376 PolarHBondContact O-N 3.09Å; E1197-R1378 WeakPolarHBondContact OE1-CB 3.42Å; E1197-R1378 VanDerWaalsContact OE1-CG 3.26Å; E1197-R1378 WeakPolarHBondContact OE1-CG 3.4Å; E1197-R1380 IonicContact OE1-CZ 3.53Å; E1197-R1380 IonicContact OE1-NE 2.75Å; E1197-R1380 PolarHBondContact OE1-NE 3.14Å; E1197-R1380 IonicContact OE1-NH2 2.8Å; E1197-R1380 PolarHBondContact OE1-NH2 2.79Å; E1197-R1380 IonicContact OE2-CZ 3.8Å; E1197-R1380 IonicContact OE2-NH2 3.43Å; E1197-R1380 PolarHBondContact OE2-NH2 3.02Å
1198R90.5Very high80.9Confident175 Ų17578.1 Ų78.166%0.6639%0.388SS*.EExtended strand (participates in β ladder)trans-74.8116.3175.5175.4177.5170.2-178.3-3.4108.4I1373 Y1375R1198-I1373 HydrophobicContact CG-CG2 3.72Å; R1198-Y1375 HydrophobicContact CB-CD1 4.13Å; R1198-Y1375 HydrophobicContact CB-CE1 3.85Å; R1198-Y1375 HydrophobicContact CG-CE1 4.5Å
1199G83.3Confident80.5Confident23 Ų2376.5 Ų76.524%0.23738%0.383CS..  trans-106.5174.3176.500000112.8E1197 W1374E1197-G1199 PolarHBondContact O-N 2.93Å; G1199-W1374 PolarHBondContact N-O 3.22Å; G1199-W1374 VanDerWaalsContact N-O 3.11Å
1200E84.9Confident80.8Confident175 Ų17574.7 Ų74.782%0.81838%0.379SS*.  trans-111.6135.3158-65.3-169.9155.700107.8W1374E1200-W1374 VanDerWaalsContact O-CZ3 3.28Å; E1200-W1374 WeakPolarHBondContact O-CZ3 3.37Å
1201L84.6Confident80.8Confident42 Ų4273.9 Ų73.922%0.2238%0.38CS..PPolyproline II helixtrans-65.8134.5-177.9-176.574.7000109.5E1203 Q1357 W1369 W1374L1201-E1203 PolarHBondContact O-N 3.45Å; L1201-Q1357 HydrophobicContact CD1-CB 3.92Å; L1201-Q1357 HydrophobicContact CD1-CG 3.82Å; L1201-Q1357 HydrophobicContact CD2-CB 4.22Å; L1201-W1369 HydrophobicContact CD2-CZ2 4.45Å; L1201-W1374 HydrophobicContact CB-CD2 4.34Å; L1201-W1374 HydrophobicContact CB-CE3 4.27Å; L1201-W1374 HydrophobicContact CD1-CD2 4.11Å; L1201-W1374 HydrophobicContact CD1-CE3 4.49Å; L1201-W1374 HydrophobicContact CD1-CH2 4.21Å; L1201-W1374 HydrophobicContact CD1-CZ2 3.8Å
1202P80.3Confident80.8Confident59 Ų5974.3 Ų74.338%0.38338%0.382SS..PPolyproline II helixtrans-54.2139.8175.1-26.335.1000112.2V1204 S1360P1202-V1204 PolarHBondContact O-N 2.99Å; P1202-S1360 WeakPolarHBondContact O-CB 3.31Å
1203E75.3Confident80.8Confident185 Ų18574.4 Ų74.486%0.86438%0.382SS*.PPolyproline II helixtrans-56.4128.1175.4-70.7-165.4144.300110.3L1201 P1205L1201-E1203 PolarHBondContact O-N 3.45Å; E1203-P1205 WeakPolarHBondContact O-CD 3.2Å; E1203-P1205 VanDerWaalsContact O-N 3.1Å
1204V66.9Low80.8Confident66 Ų6673.3 Ų73.340%0.438%0.375SS..  trans-61110.9177.1178.60000108.8P1202 Q1359P1202-V1204 PolarHBondContact O-N 2.99Å; V1204-Q1359 HydrophobicContact CG1-CB 3.82Å; V1204-Q1359 HydrophobicContact CG2-CB 4.37Å
1205P62.2Low80.7Confident68 Ų6872.2 Ų72.244%0.44237%0.37SS..  trans-71.6157.9-179.1-9.126.1000109.6E1203 I1207E1203-P1205 WeakPolarHBondContact O-CD 3.2Å; E1203-P1205 VanDerWaalsContact O-N 3.1Å; P1205-I1207 HydrophobicContact CB-CD1 4.06Å; P1205-I1207 HydrophobicContact CB-CG1 4.03Å; P1205-I1207 HydrophobicContact CG-CD1 4.02Å; P1205-I1207 PolarHBondContact O-N 3.07Å
1206Q59.5Low80.5Confident210 Ų21070.1 Ų70.198%0.98136%0.361SS*.SBendtrans-73.966.7178.7-69.2-172.4-18.400112.1
1207I58.6Low79.7Confident117 Ų11769.1 Ų69.160%0.636%0.362SS*.  trans-91155.9176.6-57.2168.6000108.5P1205 A1209P1205-I1207 HydrophobicContact CB-CD1 4.06Å; P1205-I1207 HydrophobicContact CB-CG1 4.03Å; P1205-I1207 HydrophobicContact CG-CD1 4.02Å; P1205-I1207 PolarHBondContact O-N 3.07Å; I1207-A1209 PolarHBondContact O-N 2.76Å
1208D65.6Low78.6Confident146 Ų14668.2 Ų68.278%0.78136%0.363SS*.  trans-57.4122166.9-169.7-6.9000109.6G1210D1208-G1210 PolarHBondContact O-N 2.98Å
1209A70.3Confident77.5Confident25 Ų2567.9 Ų67.921%0.20737%0.369CS..  trans-62.1-17.1-16800000113.6I1207 W1212 A1236I1207-A1209 PolarHBondContact O-N 2.76Å; A1209-W1212 PolarHBondContact O-NE1 3.23Å; A1209-A1236 HydrophobicContact CB-CB 3.96Å; A1209-A1236 VanDerWaalsContact O-CB 3.27Å; A1209-A1236 WeakPolarHBondContact O-CB 3.46Å
1210G82.5Confident76.6Confident18 Ų1871.5 Ų71.519%0.18640%0.397CS..  trans80.8-171162.300000114.8D1208 A1236 Q1237 T1259D1208-G1210 PolarHBondContact O-N 2.98Å; G1210-A1236 WeakPolarHBondContact O-CA 3.48Å; G1210-Q1237 PolarHBondContact O-N 3.25Å; G1210-T1259 WeakPolarHBondContact CA-OG1 3.29Å
1211S88.9Confident76.2Confident28 Ų2863.8 Ų63.820%0.19636%0.361CS..EExtended strand (participates in β ladder)trans-125.2134.1176.9-172.50000111Q1237 L1258 T1259S1211-Q1237 VanDerWaalsContact CA-O 3.28Å; S1211-Q1237 WeakPolarHBondContact CA-O 3.42Å; S1211-Q1237 PolarHBondContact OG-O 3.39Å; S1211-L1258 CarbonylContact O-C 3.53Å; S1211-L1258 WeakPolarHBondContact O-CA 3.5Å; S1211-T1259 PolarHBondContact N-OG1 2.9Å; S1211-T1259 VanDerWaalsContact N-OG1 3.09Å; S1211-T1259 WeakPolarHBondContact O-CB 3.3Å; S1211-T1259 PolarHBondContact O-N 3.22Å
1212W91.8Very high75.9Confident9 Ų965.8 Ų65.83%0.03438%0.377CS..EExtended strand (participates in β ladder)trans-129.2134-167.4-63.980.4000110.6A1209 L1214 L1231 Q1237 S1238 T1239 T1259 V1262 F1301 L1358 Q1359A1209-W1212 PolarHBondContact O-NE1 3.23Å; W1212-L1214 HydrophobicContact CB-CD1 4.12Å; W1212-L1231 HydrophobicContact CB-CD1 4.27Å; W1212-L1231 HydrophobicContact CG-CD1 4.28Å; W1212-Q1237 PolarHBondContact N-O 2.88Å; W1212-S1238 CarbonylContact O-C 3.33Å; W1212-S1238 WeakPolarHBondContact O-CA 3.16Å; W1212-T1239 PolarHBondContact O-N 3.08Å; W1212-T1259 HydrophobicContact CH2-CG2 4.28Å; W1212-T1259 HydrophobicContact CZ2-CG2 3.7Å; W1212-V1262 HydrophobicContact CE3-CG2 4.02Å; W1212-V1262 HydrophobicContact CZ3-CG2 4.39Å; W1212-F1301 HydrophobicContact CH2-CE2 4.2Å; W1212-F1301 HydrophobicContact CZ3-CD2 4.12Å; W1212-F1301 AromaticContact CZ3-CE2 3.79Å; W1212-F1301 HydrophobicContact CZ3-CE2 3.79Å; W1212-L1358 HydrophobicContact CH2-CB 3.87Å; W1212-L1358 WeakPolarHBondContact CH2-O 3.48Å; W1212-L1358 HydrophobicContact CZ3-CB 3.96Å; W1212-L1358 HydrophobicContact CZ3-CD2 4.07Å; W1212-L1358 HydrophobicContact CZ3-CG 4.43Å; W1212-Q1359 HydrophobicContact CZ2-CG 4.48Å
1213L91.5Very high76.1Confident2 Ų263.7 Ų63.71%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-105.8117.4173.5178.464.7000109.2L1215 T1239 V1241 L1250 L1253 L1254 L1258 G1260 V1261 V1262L1213-L1215 HydrophobicContact CD1-CD2 4.21Å; L1213-L1215 HydrophobicContact CD2-CD2 4.14Å; L1213-L1215 HydrophobicContact CD2-CG 4.48Å; L1213-L1215 HydrophobicContact CG-CD2 3.98Å; L1213-L1215 HydrophobicContact CG-CG 4.25Å; L1213-T1239 HydrophobicContact CD1-CG2 4.36Å; L1213-V1241 HydrophobicContact CD1-CG2 4.16Å; L1213-L1250 HydrophobicContact CD2-CD1 4.38Å; L1213-L1253 HydrophobicContact CD1-CB 4.18Å; L1213-L1253 HydrophobicContact CD1-CD1 4.35Å; L1213-L1253 HydrophobicContact CD1-CD2 4.31Å; L1213-L1253 HydrophobicContact CD2-CB 3.94Å; L1213-L1254 HydrophobicContact CD2-CD2 3.67Å; L1213-L1254 HydrophobicContact CD2-CG 4.34Å; L1213-L1258 HydrophobicContact CB-CD1 3.79Å; L1213-L1258 HydrophobicContact CB-CD2 4.14Å; L1213-L1258 HydrophobicContact CD2-CD1 4.13Å; L1213-G1260 PolarHBondContact N-O 2.83Å; L1213-V1261 HydrophobicContact CB-CG2 4.25Å; L1213-V1261 CarbonylContact O-C 3.59Å; L1213-V1261 WeakPolarHBondContact O-CA 3.43Å; L1213-V1262 PolarHBondContact O-N 3.23Å
1214L90.8Very high76.7Confident0 Ų055.1 Ų55.10%032%0.323CS..EExtended strand (participates in β ladder)trans-102.8121.4177.3-68.177.3000109.1W1212 T1224 L1227 A1228 L1231 T1239 S1240 V1241 V1262W1212-L1214 HydrophobicContact CB-CD1 4.12Å; L1214-T1224 HydrophobicContact CB-CG2 3.81Å; L1214-T1224 HydrophobicContact CD2-CG2 4.12Å; L1214-L1227 HydrophobicContact CD2-CB 3.9Å; L1214-L1227 HydrophobicContact CD2-CD2 3.95Å; L1214-L1227 HydrophobicContact CD2-CG 3.84Å; L1214-A1228 HydrophobicContact CD2-CB 4.12Å; L1214-L1231 HydrophobicContact CD1-CD1 4.07Å; L1214-L1231 HydrophobicContact CD2-CD1 4.48Å; L1214-T1239 PolarHBondContact N-O 3.43Å; L1214-S1240 WeakPolarHBondContact O-CA 3.48Å; L1214-V1241 PolarHBondContact O-N 3Å; L1214-V1262 WeakPolarHBondContact CA-O 3.5Å; L1214-V1262 HydrophobicContact CG-CB 4.35Å
1215L89.8Confident77.6Confident4 Ų454.5 Ų54.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-107.6103-179.4-61.5179.1000109L1213 A1217 V1241 L1250 V1261 V1262 V1264 I1286L1213-L1215 HydrophobicContact CD1-CD2 4.21Å; L1213-L1215 HydrophobicContact CD2-CD2 4.14Å; L1213-L1215 HydrophobicContact CD2-CG 4.48Å; L1213-L1215 HydrophobicContact CG-CD2 3.98Å; L1213-L1215 HydrophobicContact CG-CG 4.25Å; L1215-A1217 PolarHBondContact O-N 2.88Å; L1215-V1241 WeakPolarHBondContact CA-O 3.35Å; L1215-V1241 HydrophobicContact CD2-CB 4.43Å; L1215-L1250 HydrophobicContact CD1-CD1 3.9Å; L1215-L1250 HydrophobicContact CD2-CD1 4.27Å; L1215-V1261 HydrophobicContact CD1-CG1 3.98Å; L1215-V1261 HydrophobicContact CG-CG1 4.43Å; L1215-V1262 PolarHBondContact N-O 2.94Å; L1215-V1264 PolarHBondContact O-N 2.82Å; L1215-I1286 HydrophobicContact CD1-CD1 3.93Å; L1215-I1286 HydrophobicContact CD1-CG1 4.15Å; L1215-I1286 HydrophobicContact CD1-CG2 3.85Å
1216S86.7Confident78.8Confident9 Ų956.3 Ų56.36%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-78115.8177.6-163.80000109.5S1218 T1224 V1241 S1243S1216-S1218 VanDerWaalsContact C-N 3.29Å; S1216-S1218 WeakPolarHBondContact CB-O 3.42Å; S1216-S1218 PolarHBondContact O-N 3.13Å; S1216-S1218 PolarHBondContact OG-O 3.37Å; S1216-T1224 PolarHBondContact OG-OG1 3.2Å; S1216-T1224 VanDerWaalsContact OG-OG1 3.14Å; S1216-V1241 PolarHBondContact N-O 3.17Å; S1216-S1243 VanDerWaalsContact O-CB 3.31Å; S1216-S1243 WeakPolarHBondContact O-CB 3.43Å; S1216-S1243 PolarHBondContact O-N 3Å
1217A77.3Confident80.2Confident23 Ų2346.3 Ų46.319%0.1928%0.28CS..SBendtrans-71.3-26.5-179.600000113L1215 V1264 Y1279L1215-A1217 PolarHBondContact O-N 2.88Å; A1217-V1264 VanDerWaalsContact CB-O 3.29Å; A1217-V1264 WeakPolarHBondContact CB-O 3.12Å; A1217-V1264 PolarHBondContact N-O 2.86Å; A1217-Y1279 HydrophobicContact CB-CD1 4.22Å; A1217-Y1279 HydrophobicContact CB-CE1 3.69Å
1218S70.4Confident81.6Confident48 Ų4841.1 Ų41.134%0.33625%0.254SS..SBendtrans-100.1149.8167-176.70000110.6S1216S1216-S1218 VanDerWaalsContact C-N 3.29Å; S1216-S1218 WeakPolarHBondContact CB-O 3.42Å; S1216-S1218 PolarHBondContact O-N 3.13Å; S1216-S1218 PolarHBondContact OG-O 3.37Å
1219E67.3Low82.7Confident169 Ų16939.4 Ų39.479%0.7925%0.245SC*.THydrogen-bonded Turntrans-60.1139.3158.1-65.5-169158.800109.6D1221E1219-D1221 PolarHBondContact O-N 3.01Å
1220A64.5Low83.6Confident99 Ų9939.2 Ų39.282%0.81824%0.244SC*.THydrogen-bonded Turntrans54.934.8171.200000118P1222A1220-P1222 WeakPolarHBondContact O-CD 3.28Å
1221D75.1Confident83.9Confident12 Ų1238.3 Ų38.36%0.06424%0.235CC..  trans-66.4121.3169.4-172.5-17.4000111.4E1219 L1223 T1224 R1305E1219-D1221 PolarHBondContact O-N 3.01Å; D1221-L1223 VanDerWaalsContact C-N 3.28Å; D1221-L1223 PolarHBondContact O-N 3.3Å; D1221-L1223 WeakPolarHBondContact OD1-CB 3.23Å; D1221-L1223 PolarHBondContact OD1-N 3.4Å; D1221-T1224 PolarHBondContact O-N 2.69Å; D1221-R1305 IonicContact OD1-NH2 3.99Å; D1221-R1305 PolarHBondContact OD1-NH2 3.06Å; D1221-R1305 IonicContact OD2-CZ 2.77Å; D1221-R1305 IonicContact OD2-NH1 3.16Å; D1221-R1305 PolarHBondContact OD2-NH1 2.95Å; D1221-R1305 VanDerWaalsContact OD2-NH1 3.16Å; D1221-R1305 IonicContact OD2-NH2 2.73Å; D1221-R1305 PolarHBondContact OD2-NH2 2.98Å
1222P79.3Confident83.8Confident84 Ų8440.2 Ų40.255%0.54524%0.243SC..Hα-helixtrans-59.8-31.7175.7-23.835000114.3A1220 A1225 Q1226A1220-P1222 WeakPolarHBondContact O-CD 3.28Å; P1222-A1225 PolarHBondContact O-N 3.18Å; P1222-Q1226 VanDerWaalsContact O-CG 3.27Å; P1222-Q1226 WeakPolarHBondContact O-CG 3.42Å; P1222-Q1226 PolarHBondContact O-N 3.21Å
1223L84.7Confident83.5Confident16 Ų1643.9 Ų43.98%0.08428%0.275CS..Hα-helixtrans-65.8-40.5-177.8-179.359.8000111.2D1221 A1225 Q1226 L1227 V1264 V1303 R1305 V1344 A1351D1221-L1223 VanDerWaalsContact C-N 3.28Å; D1221-L1223 PolarHBondContact O-N 3.3Å; D1221-L1223 WeakPolarHBondContact OD1-CB 3.23Å; D1221-L1223 PolarHBondContact OD1-N 3.4Å; L1223-A1225 VanDerWaalsContact C-N 3.31Å; L1223-A1225 PolarHBondContact O-N 2.92Å; L1223-Q1226 PolarHBondContact O-N 2.92Å; L1223-L1227 WeakPolarHBondContact O-CB 3.23Å; L1223-L1227 PolarHBondContact O-N 2.97Å; L1223-V1264 HydrophobicContact CB-CG1 4.46Å; L1223-V1264 HydrophobicContact CD2-CG1 4.16Å; L1223-V1264 HydrophobicContact CG-CG1 4.31Å; L1223-V1303 HydrophobicContact CD2-CG1 4.12Å; L1223-R1305 VanDerWaalsContact CB-NH2 3.26Å; L1223-V1344 HydrophobicContact CD2-CG2 4.42Å; L1223-A1351 HydrophobicContact CD1-CB 3.89Å
1224T86.7Confident82.9Confident5 Ų547.8 Ų47.83%0.03130%0.299CS..Hα-helixtrans-61.9-40.6177.3-43.60000111.4L1214 S1216 D1221 A1228 V1264L1214-T1224 HydrophobicContact CB-CG2 3.81Å; L1214-T1224 HydrophobicContact CD2-CG2 4.12Å; S1216-T1224 PolarHBondContact OG-OG1 3.2Å; S1216-T1224 VanDerWaalsContact OG-OG1 3.14Å; D1221-T1224 PolarHBondContact O-N 2.69Å; T1224-A1228 WeakPolarHBondContact O-CB 3.45Å; T1224-A1228 PolarHBondContact O-N 2.7Å; T1224-A1228 VanDerWaalsContact O-N 3.08Å; T1224-V1264 HydrophobicContact CG2-CB 4.44Å; T1224-V1264 HydrophobicContact CG2-CG2 4.18Å; T1224-V1264 WeakPolarHBondContact OG1-CB 3.23Å; T1224-V1264 WeakPolarHBondContact OG1-CG1 3.38Å
1225A85.3Confident82.5Confident52 Ų5250.6 Ų50.643%0.4333%0.327SS..Hα-helixtrans-67.4-47.2176.300000112P1222 L1223 L1227 A1228 D1229P1222-A1225 PolarHBondContact O-N 3.18Å; L1223-A1225 VanDerWaalsContact C-N 3.31Å; L1223-A1225 PolarHBondContact O-N 2.92Å; A1225-L1227 VanDerWaalsContact C-N 3.3Å; A1225-L1227 PolarHBondContact O-N 3.12Å; A1225-A1228 WeakPolarHBondContact O-CB 3.27Å; A1225-A1228 PolarHBondContact O-N 3.42Å; A1225-D1229 PolarHBondContact O-N 3.04Å
1226Q87.9Confident82.3Confident106 Ų10650.7 Ų50.750%0.49533%0.329SS..Hα-helixtrans-63.1-35.4178-69.4171.718.200112.7P1222 L1223 A1230 A1351P1222-Q1226 VanDerWaalsContact O-CG 3.27Å; P1222-Q1226 WeakPolarHBondContact O-CG 3.42Å; P1222-Q1226 PolarHBondContact O-N 3.21Å; L1223-Q1226 PolarHBondContact O-N 2.92Å; Q1226-A1230 VanDerWaalsContact O-CB 3.28Å; Q1226-A1230 WeakPolarHBondContact O-CB 3.34Å; Q1226-A1230 PolarHBondContact O-N 3.06Å; Q1226-A1351 HydrophobicContact CB-CB 3.64Å
1227L89.6Confident82.3Confident1 Ų157.2 Ų57.21%0.00536%0.358CS..Hα-helixtrans-70.2-38.9176.8-173.760.3000111.6L1214 L1223 A1225 A1230 L1231 V1262 V1264 V1354 A1355 L1358L1214-L1227 HydrophobicContact CD2-CB 3.9Å; L1214-L1227 HydrophobicContact CD2-CD2 3.95Å; L1214-L1227 HydrophobicContact CD2-CG 3.84Å; L1223-L1227 WeakPolarHBondContact O-CB 3.23Å; L1223-L1227 PolarHBondContact O-N 2.97Å; A1225-L1227 VanDerWaalsContact C-N 3.3Å; A1225-L1227 PolarHBondContact O-N 3.12Å; L1227-A1230 PolarHBondContact O-N 3.03Å; L1227-L1231 HydrophobicContact CG-CD1 4.28Å; L1227-L1231 WeakPolarHBondContact O-CB 3.17Å; L1227-L1231 VanDerWaalsContact O-CG 3.28Å; L1227-L1231 WeakPolarHBondContact O-CG 3.42Å; L1227-L1231 PolarHBondContact O-N 2.81Å; L1227-V1262 HydrophobicContact CD2-CG1 4.08Å; L1227-V1264 HydrophobicContact CD2-CG2 4.26Å; L1227-V1354 HydrophobicContact CD1-CB 3.9Å; L1227-V1354 HydrophobicContact CD1-CG1 3.83Å; L1227-V1354 HydrophobicContact CD2-CG1 4.14Å; L1227-A1355 HydrophobicContact CD1-CB 3.99Å; L1227-L1358 HydrophobicContact CD1-CD1 4.13Å; L1227-L1358 HydrophobicContact CD2-CD1 4.23Å; L1227-L1358 HydrophobicContact CG-CD1 4.46Å
1228A87.9Confident82.8Confident7 Ų757 Ų576%0.05836%0.356CS..Hα-helixtrans-62.1-48.7171.900000111.7L1214 T1224 A1225 A1230 L1231 N1232 S1238 S1240L1214-A1228 HydrophobicContact CD2-CB 4.12Å; T1224-A1228 WeakPolarHBondContact O-CB 3.45Å; T1224-A1228 PolarHBondContact O-N 2.7Å; T1224-A1228 VanDerWaalsContact O-N 3.08Å; A1225-A1228 WeakPolarHBondContact O-CB 3.27Å; A1225-A1228 PolarHBondContact O-N 3.42Å; A1228-A1230 VanDerWaalsContact C-N 3.32Å; A1228-A1230 PolarHBondContact O-N 3.43Å; A1228-L1231 PolarHBondContact O-N 3.18Å; A1228-N1232 VanDerWaalsContact O-CB 3.31Å; A1228-N1232 WeakPolarHBondContact O-CB 3.37Å; A1228-N1232 PolarHBondContact O-N 3.23Å; A1228-N1232 PolarHBondContact O-ND2 3.48Å; A1228-N1232 VanDerWaalsContact O-ND2 3.13Å; A1228-S1238 WeakPolarHBondContact CA-OG 3.49Å; A1228-S1238 WeakPolarHBondContact CB-OG 3.28Å; A1228-S1238 PolarHBondContact O-OG 3.36Å; A1228-S1240 VanDerWaalsContact CB-OG 3.31Å; A1228-S1240 WeakPolarHBondContact CB-OG 3.31Å
1229D88.9Confident83.6Confident110 Ų11058 Ų5859%0.58836%0.359SS*.Hα-helixtrans-60.7-40.4176.9-75.6-22.2000111.8A1225 N1232 A1233A1225-D1229 PolarHBondContact O-N 3.04Å; D1229-N1232 PolarHBondContact O-N 3.11Å; D1229-A1233 VanDerWaalsContact O-CB 3.29Å; D1229-A1233 WeakPolarHBondContact O-CB 3.44Å; D1229-A1233 PolarHBondContact O-N 3.14Å
1230A88Confident84.4Confident21 Ų2152.7 Ų52.717%0.17434%0.341CS..Hα-helixtrans-65-43.9176.300000112.8Q1226 L1227 A1228 A1233 A1355Q1226-A1230 VanDerWaalsContact O-CB 3.28Å; Q1226-A1230 WeakPolarHBondContact O-CB 3.34Å; Q1226-A1230 PolarHBondContact O-N 3.06Å; L1227-A1230 PolarHBondContact O-N 3.03Å; A1228-A1230 VanDerWaalsContact C-N 3.32Å; A1228-A1230 PolarHBondContact O-N 3.43Å; A1230-A1233 PolarHBondContact O-N 2.91Å; A1230-A1355 HydrophobicContact CB-CB 3.76Å
1231L88.6Confident85.3Confident0 Ų049.1 Ų49.10%031%0.309CS..Hα-helixtrans-65.3-41.7175.1-71.4167.6000111.5W1212 L1214 L1227 A1228 A1233 V1234 A1236 A1355 L1358 Q1359W1212-L1231 HydrophobicContact CB-CD1 4.27Å; W1212-L1231 HydrophobicContact CG-CD1 4.28Å; L1214-L1231 HydrophobicContact CD1-CD1 4.07Å; L1214-L1231 HydrophobicContact CD2-CD1 4.48Å; L1227-L1231 HydrophobicContact CG-CD1 4.28Å; L1227-L1231 WeakPolarHBondContact O-CB 3.17Å; L1227-L1231 VanDerWaalsContact O-CG 3.28Å; L1227-L1231 WeakPolarHBondContact O-CG 3.42Å; L1227-L1231 PolarHBondContact O-N 2.81Å; A1228-L1231 PolarHBondContact O-N 3.18Å; L1231-A1233 PolarHBondContact O-N 3.28Å; L1231-V1234 VanDerWaalsContact O-CG2 3.22Å; L1231-V1234 WeakPolarHBondContact O-CG2 3.3Å; L1231-V1234 PolarHBondContact O-N 3.22Å; L1231-A1236 HydrophobicContact CB-CB 4.26Å; L1231-A1236 VanDerWaalsContact O-CB 3.24Å; L1231-A1236 WeakPolarHBondContact O-CB 3.22Å; L1231-A1236 PolarHBondContact O-N 3.17Å; L1231-A1236 VanDerWaalsContact O-N 3.12Å; L1231-A1355 HydrophobicContact CD2-CB 3.99Å; L1231-A1355 HydrophobicContact CG-CB 4.14Å; L1231-L1358 HydrophobicContact CD1-CD1 4.24Å; L1231-L1358 HydrophobicContact CD2-CD1 4.4Å; L1231-Q1359 HydrophobicContact CD2-CG 4.25Å
1232N88.4Confident85.3Confident67 Ų6751.1 Ų51.136%0.35833%0.327SS..Hα-helixtrans-65-37.3177.1-68.2-22.6000112.2A1228 D1229 V1234 G1235 A1236 S1238A1228-N1232 VanDerWaalsContact O-CB 3.31Å; A1228-N1232 WeakPolarHBondContact O-CB 3.37Å; A1228-N1232 PolarHBondContact O-N 3.23Å; A1228-N1232 PolarHBondContact O-ND2 3.48Å; A1228-N1232 VanDerWaalsContact O-ND2 3.13Å; D1229-N1232 PolarHBondContact O-N 3.11Å; N1232-V1234 PolarHBondContact O-N 3.42Å; N1232-G1235 PolarHBondContact O-N 2.94Å; N1232-A1236 PolarHBondContact OD1-O 3.2Å; N1232-S1238 PolarHBondContact ND2-OG 2.86Å; N1232-S1238 VanDerWaalsContact ND2-OG 3.15Å; N1232-S1238 WeakPolarHBondContact OD1-CB 3.13Å; N1232-S1238 PolarHBondContact OD1-N 3.43Å; N1232-S1238 PolarHBondContact OD1-OG 3.19Å
1233A84.6Confident84.6Confident86 Ų8648.7 Ų48.771%0.71131%0.312SS*.Hα-helixtrans-63.2-25.1-178.500000113.8D1229 A1230 L1231D1229-A1233 VanDerWaalsContact O-CB 3.29Å; D1229-A1233 WeakPolarHBondContact O-CB 3.44Å; D1229-A1233 PolarHBondContact O-N 3.14Å; A1230-A1233 PolarHBondContact O-N 2.91Å; L1231-A1233 PolarHBondContact O-N 3.28Å
1234V80Confident83.1Confident85 Ų8549.3 Ų49.352%0.51532%0.32SS..THydrogen-bonded Turntrans-10012.3175.1-62.80000113.1L1231 N1232L1231-V1234 VanDerWaalsContact O-CG2 3.22Å; L1231-V1234 WeakPolarHBondContact O-CG2 3.3Å; L1231-V1234 PolarHBondContact O-N 3.22Å; N1232-V1234 PolarHBondContact O-N 3.42Å
1235G81.9Confident81.6Confident58 Ų5855.3 Ų55.360%0.59836%0.362SS*.THydrogen-bonded Turntrans95.92.417000000116.2N1232N1232-G1235 PolarHBondContact O-N 2.94Å
1236A86Confident80.8Confident6 Ų657.1 Ų57.15%0.0537%0.365CS..  trans-73.1154.8175.500000111.6A1209 G1210 L1231 N1232A1209-A1236 HydrophobicContact CB-CB 3.96Å; A1209-A1236 VanDerWaalsContact O-CB 3.27Å; A1209-A1236 WeakPolarHBondContact O-CB 3.46Å; G1210-A1236 WeakPolarHBondContact O-CA 3.48Å; L1231-A1236 HydrophobicContact CB-CB 4.26Å; L1231-A1236 VanDerWaalsContact O-CB 3.24Å; L1231-A1236 WeakPolarHBondContact O-CB 3.22Å; L1231-A1236 PolarHBondContact O-N 3.17Å; L1231-A1236 VanDerWaalsContact O-N 3.12Å; N1232-A1236 PolarHBondContact OD1-O 3.2Å
1237Q85.8Confident79.8Confident147 Ų14755.1 Ų55.169%0.68736%0.359SS*.EExtended strand (participates in β ladder)trans-98.585.6173.7-65.4-173.31400110.2G1210 S1211 W1212G1210-Q1237 PolarHBondContact O-N 3.25Å; S1211-Q1237 VanDerWaalsContact CA-O 3.28Å; S1211-Q1237 WeakPolarHBondContact CA-O 3.42Å; S1211-Q1237 PolarHBondContact OG-O 3.39Å; W1212-Q1237 PolarHBondContact N-O 2.88Å
1238S88Confident79.1Confident19 Ų1958.1 Ų58.113%0.13338%0.384CS..EExtended strand (participates in β ladder)trans-87.1139.9177.7770000112.7W1212 A1228 N1232W1212-S1238 CarbonylContact O-C 3.33Å; W1212-S1238 WeakPolarHBondContact O-CA 3.16Å; A1228-S1238 WeakPolarHBondContact CA-OG 3.49Å; A1228-S1238 WeakPolarHBondContact CB-OG 3.28Å; A1228-S1238 PolarHBondContact O-OG 3.36Å; N1232-S1238 PolarHBondContact ND2-OG 2.86Å; N1232-S1238 VanDerWaalsContact ND2-OG 3.15Å; N1232-S1238 WeakPolarHBondContact OD1-CB 3.13Å; N1232-S1238 PolarHBondContact OD1-N 3.43Å; N1232-S1238 PolarHBondContact OD1-OG 3.19Å
1239T86.7Confident78.7Confident67 Ų6762 Ų6241%0.41140%0.401SS..EExtended strand (participates in β ladder)trans-122.7119.1172.3-62.20000108.5W1212 L1213 L1214 V1241 L1253W1212-T1239 PolarHBondContact O-N 3.08Å; L1213-T1239 HydrophobicContact CD1-CG2 4.36Å; L1214-T1239 PolarHBondContact N-O 3.43Å; T1239-V1241 HydrophobicContact CG2-CG2 4.06Å; T1239-L1253 HydrophobicContact CG2-CD2 4.37Å
1240S84Confident78.2Confident58 Ų5857.4 Ų57.441%0.40638%0.376SS..EExtended strand (participates in β ladder)trans-102.5131.6177.8-69.20000111.7L1214 A1228L1214-S1240 WeakPolarHBondContact O-CA 3.48Å; A1228-S1240 VanDerWaalsContact CB-OG 3.31Å; A1228-S1240 WeakPolarHBondContact CB-OG 3.31Å
1241V83.6Confident77.8Confident24 Ų2462 Ų6215%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-136.8133-179.9-168.80000109L1213 L1214 L1215 S1216 T1239 S1243 L1253L1213-V1241 HydrophobicContact CD1-CG2 4.16Å; L1214-V1241 PolarHBondContact O-N 3Å; L1215-V1241 WeakPolarHBondContact CA-O 3.35Å; L1215-V1241 HydrophobicContact CD2-CB 4.43Å; S1216-V1241 PolarHBondContact N-O 3.17Å; T1239-V1241 HydrophobicContact CG2-CG2 4.06Å; V1241-S1243 PolarHBondContact O-N 3.44Å; V1241-L1253 HydrophobicContact CB-CD1 4.28Å; V1241-L1253 HydrophobicContact CG1-CD1 4.12Å; V1241-L1253 HydrophobicContact CG2-CD1 3.81Å; V1241-L1253 HydrophobicContact CG2-CD2 4.06Å
1242A74.5Confident77.4Confident54 Ų5466.7 Ų66.745%0.44642%0.422SS..EExtended strand (participates in β ladder)trans-65.8126.1166.500000108.3A1244A1242-A1244 PolarHBondContact O-N 3.17Å
1243S65.1Low77Confident33 Ų3365.8 Ų65.823%0.23142%0.417CS..  trans-48.3100.3-167.3172.10000112.1S1216 V1241 S1245 Q1282S1216-S1243 VanDerWaalsContact O-CB 3.31Å; S1216-S1243 WeakPolarHBondContact O-CB 3.43Å; S1216-S1243 PolarHBondContact O-N 3Å; V1241-S1243 PolarHBondContact O-N 3.44Å; S1243-S1245 PolarHBondContact O-N 3.28Å; S1243-Q1282 PolarHBondContact OG-NE2 2.96Å
1244A53.6Low76.9Confident29 Ų2962 Ų6224%0.2439%0.385CS..  trans-64.1124.7-177.600000110.3A1242 D1246 Q1249A1242-A1244 PolarHBondContact O-N 3.17Å; A1244-D1246 PolarHBondContact O-N 3.06Å; A1244-Q1249 HydrophobicContact CB-CB 3.97Å; A1244-Q1249 HydrophobicContact CB-CG 4.09Å
1245S55.6Low76.4Confident132 Ų13261.4 Ų61.492%0.92340%0.396SS*.SBendtrans-68.3-7.216455.90000112.4S1243S1243-S1245 PolarHBondContact O-N 3.28Å
1246D67.5Low75.9Confident90 Ų9061 Ų6148%0.48139%0.391SS..  trans-90.2106.6171.8-172.7-4.7000111.1A1244 A1248 Q1249 L1250A1244-D1246 PolarHBondContact O-N 3.06Å; D1246-A1248 PolarHBondContact O-N 2.76Å; D1246-A1248 VanDerWaalsContact OD1-CB 3.28Å; D1246-A1248 WeakPolarHBondContact OD1-CB 3.26Å; D1246-A1248 PolarHBondContact OD1-N 3.35Å; D1246-Q1249 HydrophobicContact CB-CB 4.2Å; D1246-Q1249 WeakPolarHBondContact O-CB 3.17Å; D1246-Q1249 PolarHBondContact O-N 2.85Å; D1246-Q1249 VanDerWaalsContact O-N 3.09Å; D1246-L1250 PolarHBondContact O-N 2.92Å
1247V67.8Low75.5Confident64 Ų6472.6 Ų72.639%0.38843%0.434SS..Hα-helixtrans-57-32.1174.9174.70000112.2Q1249 L1250 R1251 E1289V1247-Q1249 VanDerWaalsContact C-N 3.34Å; V1247-Q1249 PolarHBondContact O-N 2.91Å; V1247-L1250 PolarHBondContact O-N 2.92Å; V1247-R1251 HydrophobicContact CG1-CG 4.31Å; V1247-R1251 WeakPolarHBondContact O-CG 3.47Å; V1247-R1251 PolarHBondContact O-N 2.65Å; V1247-E1289 VanDerWaalsContact CG1-CD 3.45Å; V1247-E1289 HydrophobicContact CG1-CG 4.26Å; V1247-E1289 VanDerWaalsContact CG1-OE2 3.3Å; V1247-E1289 WeakPolarHBondContact CG1-OE2 3.3Å
1248A75.1Confident75.6Confident63 Ų6367 Ų6752%0.52141%0.408SS..Hα-helixtrans-68.5-34.3178.200000112D1246 S1252D1246-A1248 PolarHBondContact O-N 2.76Å; D1246-A1248 VanDerWaalsContact OD1-CB 3.28Å; D1246-A1248 WeakPolarHBondContact OD1-CB 3.26Å; D1246-A1248 PolarHBondContact OD1-N 3.35Å; A1248-S1252 WeakPolarHBondContact O-CB 2.96Å; A1248-S1252 PolarHBondContact O-N 3.05Å
1249Q78.3Confident75.5Confident89 Ų8969.3 Ų69.342%0.41642%0.422SS..Hα-helixtrans-67.2-43172.9-174.4176.7-6.900111A1244 D1246 V1247 S1252 L1253A1244-Q1249 HydrophobicContact CB-CB 3.97Å; A1244-Q1249 HydrophobicContact CB-CG 4.09Å; D1246-Q1249 HydrophobicContact CB-CB 4.2Å; D1246-Q1249 WeakPolarHBondContact O-CB 3.17Å; D1246-Q1249 PolarHBondContact O-N 2.85Å; D1246-Q1249 VanDerWaalsContact O-N 3.09Å; V1247-Q1249 VanDerWaalsContact C-N 3.34Å; V1247-Q1249 PolarHBondContact O-N 2.91Å; Q1249-S1252 WeakPolarHBondContact O-CB 3.44Å; Q1249-S1252 PolarHBondContact O-N 2.95Å; Q1249-L1253 HydrophobicContact CG-CD1 4.16Å; Q1249-L1253 WeakPolarHBondContact O-CD1 3.31Å; Q1249-L1253 WeakPolarHBondContact O-CG 3.1Å; Q1249-L1253 PolarHBondContact O-N 3.31Å; Q1249-L1253 VanDerWaalsContact O-N 3.1Å
1250L80.1Confident75.7Confident13 Ų1366.1 Ų66.17%0.06840%0.402CS..Hα-helixtrans-63.1-49.1176.8-176.956.3000111.7L1213 L1215 D1246 V1247 S1252 L1253 L1254 I1286 E1289L1213-L1250 HydrophobicContact CD2-CD1 4.38Å; L1215-L1250 HydrophobicContact CD1-CD1 3.9Å; L1215-L1250 HydrophobicContact CD2-CD1 4.27Å; D1246-L1250 PolarHBondContact O-N 2.92Å; V1247-L1250 PolarHBondContact O-N 2.92Å; L1250-S1252 PolarHBondContact O-N 3.16Å; L1250-L1253 PolarHBondContact O-N 3.46Å; L1250-L1254 HydrophobicContact CD1-CD1 3.92Å; L1250-L1254 HydrophobicContact CD1-CG 4.06Å; L1250-L1254 HydrophobicContact CG-CD1 3.84Å; L1250-L1254 HydrophobicContact CG-CG 4.41Å; L1250-L1254 WeakPolarHBondContact O-CG 3.09Å; L1250-L1254 PolarHBondContact O-N 2.96Å; L1250-I1286 HydrophobicContact CD2-CG1 4.19Å; L1250-E1289 HydrophobicContact CD2-CB 3.97Å; L1250-E1289 HydrophobicContact CD2-CG 4.09Å; L1250-E1289 HydrophobicContact CG-CB 4.49Å
1251R78.5Confident76.2Confident118 Ų11863.3 Ų63.345%0.44538%0.383SS..Hα-helixtrans-57.2-36174.4-71-173.2-171.2-130.1-12.3112.5V1247 G1255 E1289 E1292V1247-R1251 HydrophobicContact CG1-CG 4.31Å; V1247-R1251 WeakPolarHBondContact O-CG 3.47Å; V1247-R1251 PolarHBondContact O-N 2.65Å; R1251-G1255 PolarHBondContact O-N 3.33Å; R1251-E1289 WeakPolarHBondContact CG-OE2 3.25Å; R1251-E1289 IonicContact CZ-OE1 3.87Å; R1251-E1289 IonicContact CZ-OE2 2.74Å; R1251-E1289 IonicContact NE-OE2 2.64Å; R1251-E1289 PolarHBondContact NE-OE2 3.36Å; R1251-E1289 VanDerWaalsContact NH2-CD 3.28Å; R1251-E1289 IonicContact NH2-OE1 3.11Å; R1251-E1289 PolarHBondContact NH2-OE1 3.04Å; R1251-E1289 IonicContact NH2-OE2 3.58Å; R1251-E1289 PolarHBondContact NH2-OE2 3.47Å; R1251-E1292 IonicContact CZ-OE2 3.97Å; R1251-E1292 IonicContact NH1-OE2 3.04Å; R1251-E1292 PolarHBondContact NH1-OE2 3.25Å; R1251-E1292 IonicContact NH2-OE2 2.81Å; R1251-E1292 PolarHBondContact NH2-OE2 2.81Å
1252S81.2Confident76.6Confident98 Ų9862.2 Ų62.269%0.68538%0.376SS*.Hα-helixtrans-67.8-33.4176.2-172.30000113.6A1248 Q1249 L1250A1248-S1252 WeakPolarHBondContact O-CB 2.96Å; A1248-S1252 PolarHBondContact O-N 3.05Å; Q1249-S1252 WeakPolarHBondContact O-CB 3.44Å; Q1249-S1252 PolarHBondContact O-N 2.95Å; L1250-S1252 PolarHBondContact O-N 3.16Å
1253L79.8Confident77.5Confident49 Ų4959.9 Ų59.926%0.25736%0.356SS..Hα-helixtrans-77-34177.6-69.4159.6000111.9L1213 T1239 V1241 Q1249 L1250 G1255L1213-L1253 HydrophobicContact CD1-CB 4.18Å; L1213-L1253 HydrophobicContact CD1-CD1 4.35Å; L1213-L1253 HydrophobicContact CD1-CD2 4.31Å; L1213-L1253 HydrophobicContact CD2-CB 3.94Å; T1239-L1253 HydrophobicContact CG2-CD2 4.37Å; V1241-L1253 HydrophobicContact CB-CD1 4.28Å; V1241-L1253 HydrophobicContact CG1-CD1 4.12Å; V1241-L1253 HydrophobicContact CG2-CD1 3.81Å; V1241-L1253 HydrophobicContact CG2-CD2 4.06Å; Q1249-L1253 HydrophobicContact CG-CD1 4.16Å; Q1249-L1253 WeakPolarHBondContact O-CD1 3.31Å; Q1249-L1253 WeakPolarHBondContact O-CG 3.1Å; Q1249-L1253 PolarHBondContact O-N 3.31Å; Q1249-L1253 VanDerWaalsContact O-N 3.1Å; L1250-L1253 PolarHBondContact O-N 3.46Å; L1253-G1255 VanDerWaalsContact C-N 3.3Å; L1253-G1255 PolarHBondContact O-N 3.24Å
1254L81.1Confident78.8Confident7 Ų758.3 Ų58.34%0.03735%0.345CS..THydrogen-bonded Turntrans-79.2-5.9-179.8-64.5173.7000114.4L1213 L1250 G1256 L1258 V1261 E1289 L1290 L1293L1213-L1254 HydrophobicContact CD2-CD2 3.67Å; L1213-L1254 HydrophobicContact CD2-CG 4.34Å; L1250-L1254 HydrophobicContact CD1-CD1 3.92Å; L1250-L1254 HydrophobicContact CD1-CG 4.06Å; L1250-L1254 HydrophobicContact CG-CD1 3.84Å; L1250-L1254 HydrophobicContact CG-CG 4.41Å; L1250-L1254 WeakPolarHBondContact O-CG 3.09Å; L1250-L1254 PolarHBondContact O-N 2.96Å; L1254-G1256 PolarHBondContact O-N 3.22Å; L1254-G1256 VanDerWaalsContact O-N 3.16Å; L1254-L1258 HydrophobicContact CD2-CD1 3.85Å; L1254-V1261 HydrophobicContact CD2-CG2 3.95Å; L1254-E1289 HydrophobicContact CD1-CB 4.4Å; L1254-L1290 HydrophobicContact CD1-CD2 3.82Å; L1254-L1290 HydrophobicContact CD2-CD2 3.48Å; L1254-L1290 VanDerWaalsContact CD2-CD2 3.48Å; L1254-L1290 HydrophobicContact CG-CD2 4.29Å; L1254-L1293 HydrophobicContact CB-CD1 4.07Å; L1254-L1293 HydrophobicContact CB-CD2 3.76Å; L1254-L1293 HydrophobicContact CD1-CD1 4.3Å; L1254-L1293 HydrophobicContact CD1-CD2 4.34Å; L1254-L1293 HydrophobicContact CD2-CD1 4.43Å; L1254-L1293 HydrophobicContact CG-CD1 4.5Å
1255G71Confident80.5Confident72 Ų7257 Ų5774%0.74234%0.335SS*.THydrogen-bonded Turntrans-71.6-0.5-179.900000115.8R1251 L1253R1251-G1255 PolarHBondContact O-N 3.33Å; L1253-G1255 VanDerWaalsContact C-N 3.3Å; L1253-G1255 PolarHBondContact O-N 3.24Å
1256G70.8Confident81.7Confident49 Ų4950.8 Ų50.851%0.50529%0.291SS..SBendtrans-101.2166.1176.500000113.3L1254 L1258L1254-G1256 PolarHBondContact O-N 3.22Å; L1254-G1256 VanDerWaalsContact O-N 3.16Å; G1256-L1258 PolarHBondContact O-N 2.9Å
1257R78.2Confident82.2Confident249 Ų24949.4 Ų49.494%0.9429%0.287SS*.  trans-74.790.9168.7-78.5-173.6170.1-165.8-6.4110
1258L87Confident82.6Confident29 Ų2949.3 Ų49.315%0.15229%0.288CS..  trans-86.4146.2171.9-65.7170.2000110.5S1211 L1213 L1254 G1256 V1261 P1298S1211-L1258 CarbonylContact O-C 3.53Å; S1211-L1258 WeakPolarHBondContact O-CA 3.5Å; L1213-L1258 HydrophobicContact CB-CD1 3.79Å; L1213-L1258 HydrophobicContact CB-CD2 4.14Å; L1213-L1258 HydrophobicContact CD2-CD1 4.13Å; L1254-L1258 HydrophobicContact CD2-CD1 3.85Å; G1256-L1258 PolarHBondContact O-N 2.9Å; L1258-V1261 HydrophobicContact CD1-CG2 4.01Å; L1258-P1298 HydrophobicContact CB-CB 3.78Å; L1258-P1298 HydrophobicContact CB-CG 4.04Å; L1258-P1298 HydrophobicContact CD1-CG 4.48Å
1259T87.1Confident82.8Confident68 Ų6851 Ų5142%0.41729%0.291SS..SBendtrans-85.6-35.1173.4-54.40000110.9G1210 S1211 W1212G1210-T1259 WeakPolarHBondContact CA-OG1 3.29Å; S1211-T1259 PolarHBondContact N-OG1 2.9Å; S1211-T1259 VanDerWaalsContact N-OG1 3.09Å; S1211-T1259 WeakPolarHBondContact O-CB 3.3Å; S1211-T1259 PolarHBondContact O-N 3.22Å; W1212-T1259 HydrophobicContact CH2-CG2 4.28Å; W1212-T1259 HydrophobicContact CZ2-CG2 3.7Å
1260G90.9Very high82.5Confident0 Ų049.6 Ų49.60%030%0.301CS..EExtended strand (participates in β ladder)trans-164158.2176.800000112.6L1213 R1299L1213-G1260 PolarHBondContact N-O 2.83Å; G1260-R1299 WeakPolarHBondContact CA-O 3.49Å
1261V93Very high82.2Confident0 Ų050.2 Ų50.20%031%0.31CS..EExtended strand (participates in β ladder)trans-121.3124.7176177.40000108L1213 L1215 L1254 L1258 L1290 P1298 R1299 F1301L1213-V1261 HydrophobicContact CB-CG2 4.25Å; L1213-V1261 CarbonylContact O-C 3.59Å; L1213-V1261 WeakPolarHBondContact O-CA 3.43Å; L1215-V1261 HydrophobicContact CD1-CG1 3.98Å; L1215-V1261 HydrophobicContact CG-CG1 4.43Å; L1254-V1261 HydrophobicContact CD2-CG2 3.95Å; L1258-V1261 HydrophobicContact CD1-CG2 4.01Å; V1261-L1290 HydrophobicContact CB-CD1 4.37Å; V1261-L1290 HydrophobicContact CB-CD2 4.36Å; V1261-L1290 HydrophobicContact CG1-CD1 4.31Å; V1261-L1290 HydrophobicContact CG1-CD2 4.46Å; V1261-L1290 HydrophobicContact CG2-CD2 3.87Å; V1261-P1298 HydrophobicContact CG2-CB 3.98Å; V1261-P1298 HydrophobicContact CG2-CG 3.52Å; V1261-R1299 PolarHBondContact N-O 3.17Å; V1261-F1301 PolarHBondContact O-N 3.3Å
1262V93.6Very high82.4Confident0 Ų046.3 Ų46.30%030%0.298CS..EExtended strand (participates in β ladder)trans-116.7110.7-173.1-169.40000109.5W1212 L1213 L1214 L1215 L1227 V1264 F1301 V1303 L1358W1212-V1262 HydrophobicContact CE3-CG2 4.02Å; W1212-V1262 HydrophobicContact CZ3-CG2 4.39Å; L1213-V1262 PolarHBondContact O-N 3.23Å; L1214-V1262 WeakPolarHBondContact CA-O 3.5Å; L1214-V1262 HydrophobicContact CG-CB 4.35Å; L1215-V1262 PolarHBondContact N-O 2.94Å; L1227-V1262 HydrophobicContact CD2-CG1 4.08Å; V1262-V1264 HydrophobicContact CG1-CG2 4.09Å; V1262-F1301 WeakPolarHBondContact CA-O 3.24Å; V1262-F1301 HydrophobicContact CG1-CB 4.33Å; V1262-F1301 HydrophobicContact CG2-CB 4.32Å; V1262-V1303 HydrophobicContact CG1-CG2 3.72Å; V1262-L1358 HydrophobicContact CG2-CD1 3.85Å; V1262-L1358 HydrophobicContact CG2-CD2 3.93Å
1263V93.4Very high82.7Confident6 Ų642.7 Ų42.74%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-88.3110.6173.9-175.50000108.5L1283 I1286 L1300 F1301 V1302 V1303V1263-L1283 HydrophobicContact CG2-CD1 4.27Å; V1263-I1286 HydrophobicContact CG1-CD1 4.12Å; V1263-I1286 HydrophobicContact CG2-CD1 3.94Å; V1263-I1286 HydrophobicContact CG2-CG2 3.98Å; V1263-L1300 HydrophobicContact CG2-CD1 3.95Å; V1263-F1301 PolarHBondContact N-O 3.11Å; V1263-V1302 HydrophobicContact CB-CG1 4.36Å; V1263-V1302 HydrophobicContact CB-CG2 4.34Å; V1263-V1302 WeakPolarHBondContact O-CA 3.41Å; V1263-V1303 PolarHBondContact O-N 3.28Å
1264V91Very high83Confident0 Ų044.6 Ų44.60%028%0.279CS..EExtended strand (participates in β ladder)trans-97.8111.8178.4-174.40000108.2L1215 A1217 L1223 T1224 L1227 V1262 V1303L1215-V1264 PolarHBondContact O-N 2.82Å; A1217-V1264 VanDerWaalsContact CB-O 3.29Å; A1217-V1264 WeakPolarHBondContact CB-O 3.12Å; A1217-V1264 PolarHBondContact N-O 2.86Å; L1223-V1264 HydrophobicContact CB-CG1 4.46Å; L1223-V1264 HydrophobicContact CD2-CG1 4.16Å; L1223-V1264 HydrophobicContact CG-CG1 4.31Å; T1224-V1264 HydrophobicContact CG2-CB 4.44Å; T1224-V1264 HydrophobicContact CG2-CG2 4.18Å; T1224-V1264 WeakPolarHBondContact OG1-CB 3.23Å; T1224-V1264 WeakPolarHBondContact OG1-CG1 3.38Å; L1227-V1264 HydrophobicContact CD2-CG2 4.26Å; V1262-V1264 HydrophobicContact CG1-CG2 4.09Å; V1264-V1303 HydrophobicContact CG2-CB 4.47Å; V1264-V1303 HydrophobicContact CG2-CG2 4.5Å
1265T89.2Confident83.4Confident2 Ų245.6 Ų45.61%0.01229%0.287CS..  trans-64.5161.8173.457.80000111.2Y1279 V1303 T1304 R1305 Q1320 L1323T1265-Y1279 HydrophobicContact CG2-CD1 4.17Å; T1265-Y1279 HydrophobicContact CG2-CE1 4.08Å; T1265-V1303 WeakPolarHBondContact CB-O 3.39Å; T1265-V1303 WeakPolarHBondContact CG2-O 3.41Å; T1265-V1303 PolarHBondContact N-O 3.39Å; T1265-V1303 PolarHBondContact OG1-O 2.74Å; T1265-T1304 HydrophobicContact CG2-CG2 4.09Å; T1265-T1304 WeakPolarHBondContact OG1-CA 3.15Å; T1265-R1305 PolarHBondContact O-NH1 3.31Å; T1265-Q1320 HydrophobicContact CG2-CG 4.18Å; T1265-Q1320 VanDerWaalsContact OG1-CD 3.27Å; T1265-Q1320 PolarHBondContact OG1-NE2 3.44Å; T1265-Q1320 PolarHBondContact OG1-OE1 3.18Å; T1265-Q1320 VanDerWaalsContact OG1-OE1 3.13Å; T1265-L1323 HydrophobicContact CG2-CD1 3.74Å
1266G82Confident84.3Confident0 Ų042.2 Ų42.20%025%0.252CS..  trans-79175.9173.800000113.5Y1279 R1305 Q1320G1266-Y1279 WeakPolarHBondContact CA-OH 3.23Å; G1266-Y1279 PolarHBondContact N-OH 3.25Å; G1266-R1305 VanDerWaalsContact C-NH1 3.25Å; G1266-R1305 PolarHBondContact O-NH1 3.33Å; G1266-Q1320 PolarHBondContact O-NE2 2.57Å
1267P78Confident85.3Confident62 Ų6241.1 Ų41.140%0.40323%0.233SC..  trans-68.7161.7165.430.7-35000111.7
1268P76.4Confident85.9Confident62 Ų6232.3 Ų32.340%0.40320%0.204SC..  trans-62.2136.4178.2-2031.6000112.8N1346P1268-N1346 WeakPolarHBondContact CD-OD1 3.17Å
1269T77.7Confident86.2Confident97 Ų9732.1 Ų32.160%0.59520%0.202SC*.  trans-109.7-16-172.664.30000114.4G1271 C1275 E1319T1269-G1271 PolarHBondContact OG1-N 3.43Å; T1269-C1275 PolarHBondContact OG1-SG 3.39Å; T1269-E1319 WeakPolarHBondContact CB-OE2 3.44Å; T1269-E1319 VanDerWaalsContact N-CD 3.33Å; T1269-E1319 PolarHBondContact N-OE1 2.92Å; T1269-E1319 PolarHBondContact N-OE2 2.74Å; T1269-E1319 PolarHBondContact OG1-OE1 2.74Å; T1269-E1319 PolarHBondContact OG1-OE2 3.41Å
1270G72.1Confident86.5Confident61 Ų6128.9 Ų28.963%0.62918%0.182SC*.SBendtrans92.4-5.5-16700000113.9L1272 E1319G1270-L1272 PolarHBondContact O-N 3.43Å; G1270-E1319 WeakPolarHBondContact CA-OE1 3.5Å; G1270-E1319 PolarHBondContact N-OE1 3.33Å
1271G73.8Confident86.6Confident25 Ų2529.6 Ų29.626%0.25819%0.187SC..  trans-78.427.5-177.900000115.7T1269 T1273 Q1274 C1275 E1319T1269-G1271 PolarHBondContact OG1-N 3.43Å; G1271-T1273 VanDerWaalsContact C-N 3.31Å; G1271-T1273 PolarHBondContact O-N 2.99Å; G1271-Q1274 PolarHBondContact O-N 3.23Å; G1271-C1275 PolarHBondContact O-N 3.16Å; G1271-E1319 PolarHBondContact N-OE1 3.49Å; G1271-E1319 VanDerWaalsContact N-OE1 3.11Å
1272L82.4Confident86.4Confident37 Ų3731.8 Ų31.819%0.19420%0.197CC..THydrogen-bonded Turntrans-26.4-47.8-164.7-57.2177.2000118.4G1270 L1318 E1319 W1860 W1898 W1905G1270-L1272 PolarHBondContact O-N 3.43Å; L1272-L1318 HydrophobicContact CB-CB 4.47Å; L1272-L1318 HydrophobicContact CD2-CB 4.3Å; L1272-E1319 HydrophobicContact CD2-CG 4.26Å; L1272-W1860 HydrophobicContact CD1-CH2 3.46Å; L1272-W1860 VanDerWaalsContact CD1-CH2 3.46Å; L1272-W1860 HydrophobicContact CD1-CZ2 3.92Å; L1272-W1860 HydrophobicContact CD1-CZ3 4.09Å; L1272-W1898 PolarHBondContact O-NE1 3.3Å; L1272-W1905 HydrophobicContact CD1-CZ2 4.27Å
1273T87.6Confident86.4Confident22 Ų2232 Ų3214%0.13520%0.198CC..THydrogen-bonded Turntrans-99.6-18.8-177.761.30000115G1271 W1852 V1856 H1857 W1860 W1898G1271-T1273 VanDerWaalsContact C-N 3.31Å; G1271-T1273 PolarHBondContact O-N 2.99Å; T1273-W1852 PolarHBondContact O-NE1 3.2Å; T1273-V1856 HydrophobicContact CG2-CG1 3.76Å; T1273-H1857 PolarHBondContact O-CE1 3.45Å; T1273-H1857 PolarHBondContact OG1-ND1 3.03Å; T1273-W1860 HydrophobicContact CG2-CB 3.8Å; T1273-W1860 HydrophobicContact CG2-CD2 4.09Å; T1273-W1860 HydrophobicContact CG2-CG 3.69Å; T1273-W1898 HydrophobicContact CG2-CH2 4.09Å; T1273-W1898 HydrophobicContact CG2-CZ2 3.66Å
1274Q87.1Confident86.4Confident88 Ų8832 Ų3241%0.41120%0.198SC..THydrogen-bonded Turntrans-92.1-51.3-179.4-176.359.45100110.1G1271 G1276 R1277 D1278G1271-Q1274 PolarHBondContact O-N 3.23Å; Q1274-G1276 PolarHBondContact O-N 2.74Å; Q1274-R1277 WeakPolarHBondContact O-CA 2.99Å; Q1274-R1277 VanDerWaalsContact O-CB 3.3Å; Q1274-R1277 WeakPolarHBondContact O-CB 2.81Å; Q1274-R1277 PolarHBondContact O-N 3.36Å; Q1274-D1278 PolarHBondContact NE2-OD1 3.04Å; Q1274-D1278 VanDerWaalsContact O-CG 3.24Å; Q1274-D1278 PolarHBondContact O-N 2.82Å
1275C88.2Confident86.2Confident29 Ų2933 Ų3320%0.19621%0.208CC..Hα-helixtrans-58.4-35.6177.5-60.10000111.4T1269 G1271 R1277 D1278 Y1279 E1319T1269-C1275 PolarHBondContact OG1-SG 3.39Å; G1271-C1275 PolarHBondContact O-N 3.16Å; C1275-R1277 VanDerWaalsContact C-N 3.3Å; C1275-R1277 PolarHBondContact O-N 3.23Å; C1275-D1278 PolarHBondContact O-N 2.88Å; C1275-D1278 VanDerWaalsContact O-N 3.14Å; C1275-Y1279 HydrophobicContact CB-CD2 4.3Å; C1275-Y1279 HydrophobicContact CB-CE2 4.18Å; C1275-Y1279 WeakPolarHBondContact O-CB 3.09Å; C1275-Y1279 WeakPolarHBondContact O-CD2 3.05Å; C1275-Y1279 PolarHBondContact O-N 2.93Å; C1275-E1319 HydrophobicContact CB-CB 4.17Å; C1275-E1319 HydrophobicContact CB-CG 4.06Å
1276G90.3Very high86.3Confident1 Ų133.2 Ų33.21%0.0121%0.209CC..Hα-helixtrans-62.1-30.8172.700000115Q1274 V1280 E1319 W1852Q1274-G1276 PolarHBondContact O-N 2.74Å; G1276-V1280 WeakPolarHBondContact O-CG2 3.33Å; G1276-V1280 PolarHBondContact O-N 2.83Å; G1276-E1319 WeakPolarHBondContact CA-O 3.41Å; G1276-E1319 PolarHBondContact N-O 3.21Å; G1276-W1852 VanDerWaalsContact C-CH2 3.47Å; G1276-W1852 WeakPolarHBondContact O-CH2 3.49Å
1277R93.1Very high86.7Confident25 Ų2533.2 Ų33.29%0.09421%0.209CC..Hα-helixtrans-72.6-45.3170.3178.6-81.2-166.7-154.8-2.8110.1Q1274 C1275 V1280 S1281 D1845 I1848 D1849 W1852Q1274-R1277 WeakPolarHBondContact O-CA 2.99Å; Q1274-R1277 VanDerWaalsContact O-CB 3.3Å; Q1274-R1277 WeakPolarHBondContact O-CB 2.81Å; Q1274-R1277 PolarHBondContact O-N 3.36Å; C1275-R1277 VanDerWaalsContact C-N 3.3Å; C1275-R1277 PolarHBondContact O-N 3.23Å; R1277-V1280 WeakPolarHBondContact O-CB 2.99Å; R1277-V1280 PolarHBondContact O-N 3.03Å; R1277-V1280 VanDerWaalsContact O-N 3.15Å; R1277-S1281 PolarHBondContact NH1-OG 2.88Å; R1277-S1281 PolarHBondContact O-N 3.49Å; R1277-D1845 IonicContact CZ-OD2 2.68Å; R1277-D1845 VanDerWaalsContact CZ-OD2 3.22Å; R1277-D1845 IonicContact NH1-OD1 3.06Å; R1277-D1845 IonicContact NH1-OD2 3.43Å; R1277-D1845 PolarHBondContact NH1-OD2 2.82Å; R1277-D1845 VanDerWaalsContact NH2-CG 3.28Å; R1277-D1845 IonicContact NH2-OD2 2.73Å; R1277-D1845 PolarHBondContact NH2-OD2 2.97Å; R1277-I1848 HydrophobicContact CG-CG2 4.04Å; R1277-D1849 IonicContact CZ-OD1 3.41Å; R1277-D1849 IonicContact CZ-OD2 3.83Å; R1277-D1849 IonicContact NE-OD1 2.73Å; R1277-D1849 PolarHBondContact NE-OD1 2.71Å; R1277-D1849 IonicContact NE-OD2 2.84Å; R1277-D1849 IonicContact NH2-OD1 3.23Å; R1277-D1849 PolarHBondContact NH2-OD1 2.71Å; R1277-D1849 IonicContact NH2-OD2 2.72Å; R1277-D1849 PolarHBondContact NH2-OD2 2.75Å; R1277-W1852 HydrophobicContact CB-CD2 4.22Å; R1277-W1852 HydrophobicContact CB-CG 4.25Å; R1277-W1852 HydrophobicContact CB-CZ2 4.43Å; R1277-W1852 HydrophobicContact CG-CG 4.42Å
1278D90.9Very high87.2Confident65 Ų6533.3 Ų33.335%0.34820%0.202SC..Hα-helixtrans-66.3-43-174.9-54.8-29.9000111.9Q1274 C1275 V1280 S1281 Q1282Q1274-D1278 PolarHBondContact NE2-OD1 3.04Å; Q1274-D1278 VanDerWaalsContact O-CG 3.24Å; Q1274-D1278 PolarHBondContact O-N 2.82Å; C1275-D1278 PolarHBondContact O-N 2.88Å; C1275-D1278 VanDerWaalsContact O-N 3.14Å; D1278-V1280 VanDerWaalsContact C-N 3.28Å; D1278-V1280 PolarHBondContact O-N 3.42Å; D1278-S1281 PolarHBondContact O-N 2.94Å; D1278-Q1282 WeakPolarHBondContact O-CB 2.96Å; D1278-Q1282 PolarHBondContact O-N 2.8Å
1279Y92.3Very high87.7Confident25 Ų2530.8 Ų30.810%0.09819%0.185CC..Hα-helixtrans-61-35.1172-77.5-63.3000112.3A1217 T1265 G1266 C1275 Q1282 L1283 E1319 Q1320A1217-Y1279 HydrophobicContact CB-CD1 4.22Å; A1217-Y1279 HydrophobicContact CB-CE1 3.69Å; T1265-Y1279 HydrophobicContact CG2-CD1 4.17Å; T1265-Y1279 HydrophobicContact CG2-CE1 4.08Å; G1266-Y1279 WeakPolarHBondContact CA-OH 3.23Å; G1266-Y1279 PolarHBondContact N-OH 3.25Å; C1275-Y1279 HydrophobicContact CB-CD2 4.3Å; C1275-Y1279 HydrophobicContact CB-CE2 4.18Å; C1275-Y1279 WeakPolarHBondContact O-CB 3.09Å; C1275-Y1279 WeakPolarHBondContact O-CD2 3.05Å; C1275-Y1279 PolarHBondContact O-N 2.93Å; Y1279-Q1282 PolarHBondContact O-N 3.42Å; Y1279-L1283 PolarHBondContact O-N 2.78Å; Y1279-E1319 WeakPolarHBondContact CD2-O 3.46Å; Y1279-E1319 HydrophobicContact CE2-CB 4.35Å; Y1279-Q1320 HydrophobicContact CD2-CG 4.28Å; Y1279-Q1320 HydrophobicContact CE2-CG 4.11Å
1280V93.9Very high88.2Confident0 Ų026.2 Ų26.20%016%0.156CC..Hα-helixtrans-68.1-46.2176.4163.20000110.9G1276 R1277 D1278 Q1282 L1283 V1284 L1323 L1326 I1848 W1852 A1894G1276-V1280 WeakPolarHBondContact O-CG2 3.33Å; G1276-V1280 PolarHBondContact O-N 2.83Å; R1277-V1280 WeakPolarHBondContact O-CB 2.99Å; R1277-V1280 PolarHBondContact O-N 3.03Å; R1277-V1280 VanDerWaalsContact O-N 3.15Å; D1278-V1280 VanDerWaalsContact C-N 3.28Å; D1278-V1280 PolarHBondContact O-N 3.42Å; V1280-Q1282 VanDerWaalsContact C-N 3.32Å; V1280-Q1282 PolarHBondContact O-N 3.1Å; V1280-L1283 PolarHBondContact O-N 2.83Å; V1280-V1284 WeakPolarHBondContact O-CB 3.36Å; V1280-V1284 VanDerWaalsContact O-CG2 3.29Å; V1280-V1284 WeakPolarHBondContact O-CG2 3.32Å; V1280-V1284 PolarHBondContact O-N 2.93Å; V1280-L1323 HydrophobicContact CG2-CD2 4.1Å; V1280-L1326 HydrophobicContact CG1-CD2 4.27Å; V1280-I1848 HydrophobicContact CG1-CD1 4.2Å; V1280-I1848 HydrophobicContact CG1-CG1 4.37Å; V1280-I1848 HydrophobicContact CG1-CG2 3.94Å; V1280-W1852 HydrophobicContact CG2-CZ3 4.12Å; V1280-A1894 HydrophobicContact CG1-CB 3.97Å; V1280-A1894 HydrophobicContact CG2-CB 3.79Å
1281S92.6Very high88.9Confident15 Ų1524.6 Ų24.611%0.10514%0.138CC..Hα-helixtrans-58.2-42.9171-79.80000112.3R1277 D1278 V1284 G1285 D1845 I1848R1277-S1281 PolarHBondContact NH1-OG 2.88Å; R1277-S1281 PolarHBondContact O-N 3.49Å; D1278-S1281 PolarHBondContact O-N 2.94Å; S1281-V1284 PolarHBondContact O-N 3.34Å; S1281-G1285 PolarHBondContact O-N 3.45Å; S1281-D1845 VanDerWaalsContact CB-OD1 3.29Å; S1281-D1845 WeakPolarHBondContact CB-OD1 3.4Å; S1281-D1845 PolarHBondContact OG-OD1 2.79Å; S1281-I1848 WeakPolarHBondContact OG-CD1 3.31Å
1282Q89.7Confident89.4Confident46 Ų4628.3 Ų28.322%0.21515%0.148CC..Hα-helixtrans-64-46.6-179.5-176.6174.931.500112.4S1243 D1278 Y1279 V1280 G1285 I1286S1243-Q1282 PolarHBondContact OG-NE2 2.96Å; D1278-Q1282 WeakPolarHBondContact O-CB 2.96Å; D1278-Q1282 PolarHBondContact O-N 2.8Å; Y1279-Q1282 PolarHBondContact O-N 3.42Å; V1280-Q1282 VanDerWaalsContact C-N 3.32Å; V1280-Q1282 PolarHBondContact O-N 3.1Å; Q1282-G1285 PolarHBondContact O-N 2.86Å; Q1282-I1286 HydrophobicContact CG-CD1 4.14Å; Q1282-I1286 WeakPolarHBondContact O-CG1 3.34Å; Q1282-I1286 PolarHBondContact O-N 2.57Å
1283L93Very high89.3Confident4 Ų428.5 Ų28.52%0.02115%0.149CC..Hα-helixtrans-69.9-37.1178.3-175.560.4000112V1263 Y1279 V1280 G1285 I1286 A1287 L1300 V1302 L1323 L1326 M1327 I1330V1263-L1283 HydrophobicContact CG2-CD1 4.27Å; Y1279-L1283 PolarHBondContact O-N 2.78Å; V1280-L1283 PolarHBondContact O-N 2.83Å; L1283-G1285 VanDerWaalsContact C-N 3.31Å; L1283-G1285 PolarHBondContact O-N 2.93Å; L1283-I1286 PolarHBondContact O-N 3.25Å; L1283-A1287 VanDerWaalsContact O-CB 3.22Å; L1283-A1287 WeakPolarHBondContact O-CB 3.34Å; L1283-A1287 PolarHBondContact O-N 3.31Å; L1283-L1300 HydrophobicContact CD1-CD2 4.38Å; L1283-V1302 HydrophobicContact CD1-CG2 3.73Å; L1283-V1302 HydrophobicContact CD2-CG2 3.95Å; L1283-L1323 HydrophobicContact CB-CD2 4.08Å; L1283-L1323 HydrophobicContact CD2-CD2 3.9Å; L1283-L1326 HydrophobicContact CB-CD2 3.99Å; L1283-L1326 HydrophobicContact CD2-CD2 3.97Å; L1283-L1326 HydrophobicContact CD2-CG 4.46Å; L1283-L1326 HydrophobicContact CG-CD2 4.11Å; L1283-M1327 HydrophobicContact CD2-CG 3.82Å; L1283-I1330 HydrophobicContact CD2-CD1 4.09Å; L1283-I1330 HydrophobicContact CG-CD1 3.98Å
1284V92.3Very high88.5Confident5 Ų533.9 Ų33.93%0.0319%0.185CC..Hα-helixtrans-56.6-46.7170.2161.90000110.8V1280 S1281 R1288 L1326 L1840 V1843 I1848V1280-V1284 WeakPolarHBondContact O-CB 3.36Å; V1280-V1284 VanDerWaalsContact O-CG2 3.29Å; V1280-V1284 WeakPolarHBondContact O-CG2 3.32Å; V1280-V1284 PolarHBondContact O-N 2.93Å; S1281-V1284 PolarHBondContact O-N 3.34Å; V1284-R1288 WeakPolarHBondContact O-CB 3.41Å; V1284-R1288 PolarHBondContact O-N 2.83Å; V1284-L1326 HydrophobicContact CG2-CD1 3.94Å; V1284-L1326 HydrophobicContact CG2-CD2 3.91Å; V1284-L1840 HydrophobicContact CB-CD1 4.4Å; V1284-L1840 HydrophobicContact CG1-CD1 4.28Å; V1284-L1840 HydrophobicContact CG2-CD1 4.31Å; V1284-V1843 HydrophobicContact CG1-CB 3.81Å; V1284-V1843 HydrophobicContact CG1-CG1 3.88Å; V1284-V1843 HydrophobicContact CG2-CG1 4.12Å; V1284-I1848 HydrophobicContact CG2-CD1 4.43Å
1285G88.6Confident88Confident21 Ų2132.8 Ų32.822%0.21620%0.196CC..Hα-helixtrans-57.4-55.117600000112.2S1281 Q1282 L1283 A1287 R1288 E1289S1281-G1285 PolarHBondContact O-N 3.45Å; Q1282-G1285 PolarHBondContact O-N 2.86Å; L1283-G1285 VanDerWaalsContact C-N 3.31Å; L1283-G1285 PolarHBondContact O-N 2.93Å; G1285-A1287 PolarHBondContact O-N 2.71Å; G1285-R1288 PolarHBondContact O-N 2.79Å; G1285-E1289 VanDerWaalsContact O-CG 3.3Å; G1285-E1289 WeakPolarHBondContact O-CG 3.32Å; G1285-E1289 PolarHBondContact O-N 3.41Å
1286I89.4Confident87.4Confident7 Ų740.8 Ų40.84%0.03623%0.231CC..Hα-helixtrans-61.4-47.5-178.8-66.8164.7000111.4L1215 L1250 V1263 Q1282 L1283 R1288 E1289 L1290L1215-I1286 HydrophobicContact CD1-CD1 3.93Å; L1215-I1286 HydrophobicContact CD1-CG1 4.15Å; L1215-I1286 HydrophobicContact CD1-CG2 3.85Å; L1250-I1286 HydrophobicContact CD2-CG1 4.19Å; V1263-I1286 HydrophobicContact CG1-CD1 4.12Å; V1263-I1286 HydrophobicContact CG2-CD1 3.94Å; V1263-I1286 HydrophobicContact CG2-CG2 3.98Å; Q1282-I1286 HydrophobicContact CG-CD1 4.14Å; Q1282-I1286 WeakPolarHBondContact O-CG1 3.34Å; Q1282-I1286 PolarHBondContact O-N 2.57Å; L1283-I1286 PolarHBondContact O-N 3.25Å; I1286-R1288 PolarHBondContact O-N 3.11Å; I1286-E1289 PolarHBondContact O-N 3.01Å; I1286-L1290 HydrophobicContact CG2-CD1 4.04Å; I1286-L1290 HydrophobicContact CG2-CG 4.47Å; I1286-L1290 WeakPolarHBondContact O-CG 3.14Å; I1286-L1290 PolarHBondContact O-N 2.88Å
1287A90.8Very high87Confident0 Ų041.8 Ų41.80%024%0.237CC..Hα-helixtrans-67.9-33.6-175.800000112.7L1283 G1285 L1290 A1291 L1300 I1330 L1840L1283-A1287 VanDerWaalsContact O-CB 3.22Å; L1283-A1287 WeakPolarHBondContact O-CB 3.34Å; L1283-A1287 PolarHBondContact O-N 3.31Å; G1285-A1287 PolarHBondContact O-N 2.71Å; A1287-L1290 PolarHBondContact O-N 3.31Å; A1287-A1291 WeakPolarHBondContact O-CB 3.33Å; A1287-A1291 PolarHBondContact O-N 2.81Å; A1287-L1300 HydrophobicContact CB-CD2 3.95Å; A1287-I1330 HydrophobicContact CB-CD1 3.76Å; A1287-I1330 HydrophobicContact CB-CG1 4.29Å; A1287-I1330 HydrophobicContact CB-CG2 4.15Å; A1287-L1840 HydrophobicContact CB-CD1 4.23Å; A1287-L1840 HydrophobicContact CB-CD2 3.82Å
1288R88.8Confident86.7Confident64 Ų6441.2 Ų41.224%0.24224%0.237CC..Hα-helixtrans-61.9-45.5171178.6176.565-138-8.2111.7V1284 G1285 I1286 L1290 A1291 E1292 L1840 A1841V1284-R1288 WeakPolarHBondContact O-CB 3.41Å; V1284-R1288 PolarHBondContact O-N 2.83Å; G1285-R1288 PolarHBondContact O-N 2.79Å; I1286-R1288 PolarHBondContact O-N 3.11Å; R1288-L1290 VanDerWaalsContact C-N 3.27Å; R1288-L1290 PolarHBondContact O-N 2.67Å; R1288-A1291 PolarHBondContact O-N 3.01Å; R1288-E1292 PolarHBondContact O-N 2.79Å; R1288-L1840 HydrophobicContact CB-CG 4.38Å; R1288-A1841 WeakPolarHBondContact CD-O 3.39Å
1289E87.2Confident86.8Confident9 Ų941 Ų414%0.04223%0.231CC..Hα-helixtrans-66.1-30.3-179.9-62.5-62.1136.100112.4V1247 L1250 R1251 L1254 G1285 I1286V1247-E1289 VanDerWaalsContact CG1-CD 3.45Å; V1247-E1289 HydrophobicContact CG1-CG 4.26Å; V1247-E1289 VanDerWaalsContact CG1-OE2 3.3Å; V1247-E1289 WeakPolarHBondContact CG1-OE2 3.3Å; L1250-E1289 HydrophobicContact CD2-CB 3.97Å; L1250-E1289 HydrophobicContact CD2-CG 4.09Å; L1250-E1289 HydrophobicContact CG-CB 4.49Å; R1251-E1289 WeakPolarHBondContact CG-OE2 3.25Å; R1251-E1289 IonicContact CZ-OE1 3.87Å; R1251-E1289 IonicContact CZ-OE2 2.74Å; R1251-E1289 IonicContact NE-OE2 2.64Å; R1251-E1289 PolarHBondContact NE-OE2 3.36Å; R1251-E1289 VanDerWaalsContact NH2-CD 3.28Å; R1251-E1289 IonicContact NH2-OE1 3.11Å; R1251-E1289 PolarHBondContact NH2-OE1 3.04Å; R1251-E1289 IonicContact NH2-OE2 3.58Å; R1251-E1289 PolarHBondContact NH2-OE2 3.47Å; L1254-E1289 HydrophobicContact CD1-CB 4.4Å; G1285-E1289 VanDerWaalsContact O-CG 3.3Å; G1285-E1289 WeakPolarHBondContact O-CG 3.32Å; G1285-E1289 PolarHBondContact O-N 3.41Å; I1286-E1289 PolarHBondContact O-N 3.01Å
1290L88Confident86.9Confident1 Ų139.9 Ų39.91%0.00523%0.227CC..Hα-helixtrans-71.6-41.2170.7-65.7172.2000112.5L1254 V1261 I1286 A1287 R1288 E1292 L1293 P1298 L1300 L1337L1254-L1290 HydrophobicContact CD1-CD2 3.82Å; L1254-L1290 HydrophobicContact CD2-CD2 3.48Å; L1254-L1290 VanDerWaalsContact CD2-CD2 3.48Å; L1254-L1290 HydrophobicContact CG-CD2 4.29Å; V1261-L1290 HydrophobicContact CB-CD1 4.37Å; V1261-L1290 HydrophobicContact CB-CD2 4.36Å; V1261-L1290 HydrophobicContact CG1-CD1 4.31Å; V1261-L1290 HydrophobicContact CG1-CD2 4.46Å; V1261-L1290 HydrophobicContact CG2-CD2 3.87Å; I1286-L1290 HydrophobicContact CG2-CD1 4.04Å; I1286-L1290 HydrophobicContact CG2-CG 4.47Å; I1286-L1290 WeakPolarHBondContact O-CG 3.14Å; I1286-L1290 PolarHBondContact O-N 2.88Å; A1287-L1290 PolarHBondContact O-N 3.31Å; R1288-L1290 VanDerWaalsContact C-N 3.27Å; R1288-L1290 PolarHBondContact O-N 2.67Å; L1290-E1292 VanDerWaalsContact C-N 3.27Å; L1290-E1292 PolarHBondContact O-N 3.12Å; L1290-L1293 HydrophobicContact CD2-CD1 4.03Å; L1290-L1293 WeakPolarHBondContact O-CB 3.16Å; L1290-L1293 WeakPolarHBondContact O-CG 3.46Å; L1290-L1293 PolarHBondContact O-N 3.46Å; L1290-P1298 HydrophobicContact CD2-CG 4.15Å; L1290-L1300 HydrophobicContact CD1-CB 4.19Å; L1290-L1300 HydrophobicContact CD1-CD1 3.84Å; L1290-L1300 HydrophobicContact CD1-CD2 4.25Å; L1290-L1300 HydrophobicContact CD1-CG 4.31Å; L1290-L1337 HydrophobicContact CB-CD1 4.49Å; L1290-L1337 HydrophobicContact CB-CD2 3.85Å
1291A86.2Confident86.9Confident28 Ų2840.3 Ų40.323%0.23123%0.229CC..Hα-helixtrans-67.4-23.4177.900000113.8A1287 R1288 L1293 H1334 L1337A1287-A1291 WeakPolarHBondContact O-CB 3.33Å; A1287-A1291 PolarHBondContact O-N 2.81Å; R1288-A1291 PolarHBondContact O-N 3.01Å; A1291-L1293 VanDerWaalsContact C-N 3.35Å; A1291-H1334 VanDerWaalsContact CB-CE1 3.46Å; A1291-H1334 WeakPolarHBondContact CB-CE1 3.31Å; A1291-L1337 HydrophobicContact CB-CD1 4.48Å
1292E84.4Confident87.1Confident103 Ų10339.6 Ų39.648%0.48122%0.224SC..THydrogen-bonded Turntrans-83.9-1174.3-75.7-173.7-160.800114R1251 R1288 L1290R1251-E1292 IonicContact CZ-OE2 3.97Å; R1251-E1292 IonicContact NH1-OE2 3.04Å; R1251-E1292 PolarHBondContact NH1-OE2 3.25Å; R1251-E1292 IonicContact NH2-OE2 2.81Å; R1251-E1292 PolarHBondContact NH2-OE2 2.81Å; R1288-E1292 PolarHBondContact O-N 2.79Å; L1290-E1292 VanDerWaalsContact C-N 3.27Å; L1290-E1292 PolarHBondContact O-N 3.12Å
1293L81.4Confident87.3Confident40 Ų4037.4 Ų37.421%0.20921%0.214CC..  trans-72.5129.6-177.7-66.6175.2000112.8L1254 L1290 A1291 G1295 P1297 P1298L1254-L1293 HydrophobicContact CB-CD1 4.07Å; L1254-L1293 HydrophobicContact CB-CD2 3.76Å; L1254-L1293 HydrophobicContact CD1-CD1 4.3Å; L1254-L1293 HydrophobicContact CD1-CD2 4.34Å; L1254-L1293 HydrophobicContact CD2-CD1 4.43Å; L1254-L1293 HydrophobicContact CG-CD1 4.5Å; L1290-L1293 HydrophobicContact CD2-CD1 4.03Å; L1290-L1293 WeakPolarHBondContact O-CB 3.16Å; L1290-L1293 WeakPolarHBondContact O-CG 3.46Å; L1290-L1293 PolarHBondContact O-N 3.46Å; A1291-L1293 VanDerWaalsContact C-N 3.35Å; L1293-G1295 PolarHBondContact O-N 3.06Å; L1293-G1295 VanDerWaalsContact O-N 3.1Å; L1293-P1297 HydrophobicContact CB-CB 4.43Å; L1293-P1297 HydrophobicContact CD1-CB 4.4Å; L1293-P1298 HydrophobicContact CD1-CG 4.5Å
1294P70.5Confident87.3Confident136 Ų13637.4 Ų37.488%0.88321%0.214SC*.SBendtrans-7995.5177.931.3-34.2000111.7
1295G76.1Confident87.3Confident64 Ų6437.8 Ų37.866%0.6622%0.215SC*.SBendtrans158.5-154.2174.400000112.1L1293 P1297L1293-G1295 PolarHBondContact O-N 3.06Å; L1293-G1295 VanDerWaalsContact O-N 3.1Å; G1295-P1297 WeakPolarHBondContact O-CD 3.36Å
1296E75Confident87.4Confident197 Ų19737.4 Ų37.492%0.92121%0.209SC*.SBendtrans-81112.5156.1-67.8170.7158.700106.7
1297P82Confident87.5Confident23 Ų2337.1 Ų37.115%0.14921%0.208CC..PPolyproline II helixtrans-73.7154179.129.3-32.9000111.2L1293 G1295 L1337L1293-P1297 HydrophobicContact CB-CB 4.43Å; L1293-P1297 HydrophobicContact CD1-CB 4.4Å; G1295-P1297 WeakPolarHBondContact O-CD 3.36Å; P1297-L1337 HydrophobicContact CB-CD2 3.84Å; P1297-L1337 HydrophobicContact CG-CD2 3.74Å
1298P88.5Confident87.5Confident13 Ų1337.1 Ų37.18%0.08421%0.208CC..PPolyproline II helixtrans-66.1145.517629.1-35.8000111.5L1258 V1261 L1290 L1293 L1300L1258-P1298 HydrophobicContact CB-CB 3.78Å; L1258-P1298 HydrophobicContact CB-CG 4.04Å; L1258-P1298 HydrophobicContact CD1-CG 4.48Å; V1261-P1298 HydrophobicContact CG2-CB 3.98Å; V1261-P1298 HydrophobicContact CG2-CG 3.52Å; L1290-P1298 HydrophobicContact CD2-CG 4.15Å; L1293-P1298 HydrophobicContact CD1-CG 4.5Å; P1298-L1300 PolarHBondContact O-N 2.89Å
1299R91.7Very high87.5Confident60 Ų6035.4 Ų35.423%0.22621%0.205CC..EExtended strand (participates in β ladder)trans-62.5132.7178.3-173.2170.8175-169.3-4.1111.1G1260 V1261 F1301 L1337 G1338 T1340 S1362 E1364G1260-R1299 WeakPolarHBondContact CA-O 3.49Å; V1261-R1299 PolarHBondContact N-O 3.17Å; R1299-F1301 HydrophobicContact CB-CE2 3.89Å; R1299-F1301 HydrophobicContact CB-CZ 4.39Å; R1299-F1301 HydrophobicContact CG-CD2 4.38Å; R1299-F1301 HydrophobicContact CG-CE2 3.78Å; R1299-F1301 HydrophobicContact CG-CZ 3.9Å; R1299-L1337 CarbonylContact C-O 3.29Å; R1299-L1337 WeakPolarHBondContact CA-O 3.41Å; R1299-L1337 WeakPolarHBondContact CG-O 3.41Å; R1299-G1338 VanDerWaalsContact CG-O 3.31Å; R1299-G1338 WeakPolarHBondContact CG-O 3.44Å; R1299-G1338 PolarHBondContact NE-O 3Å; R1299-T1340 PolarHBondContact NE-OG1 2.83Å; R1299-T1340 VanDerWaalsContact NE-OG1 3.14Å; R1299-T1340 PolarHBondContact NH2-OG1 3.11Å; R1299-S1362 VanDerWaalsContact CZ-O 3.3Å; R1299-S1362 PolarHBondContact NH1-O 2.7Å; R1299-S1362 PolarHBondContact NH2-O 3.29Å; R1299-E1364 PolarHBondContact NH2-O 3.31Å
1300L94.5Very high87.7Confident1 Ų135.9 Ų35.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-88.9120.1179.9173.858.1000110.3V1263 L1283 A1287 L1290 P1298 V1302 I1330 L1337 A1339 T1340V1263-L1300 HydrophobicContact CG2-CD1 3.95Å; L1283-L1300 HydrophobicContact CD1-CD2 4.38Å; A1287-L1300 HydrophobicContact CB-CD2 3.95Å; L1290-L1300 HydrophobicContact CD1-CB 4.19Å; L1290-L1300 HydrophobicContact CD1-CD1 3.84Å; L1290-L1300 HydrophobicContact CD1-CD2 4.25Å; L1290-L1300 HydrophobicContact CD1-CG 4.31Å; P1298-L1300 PolarHBondContact O-N 2.89Å; L1300-V1302 HydrophobicContact CD1-CG2 4.31Å; L1300-V1302 HydrophobicContact CG-CG2 4.44Å; L1300-I1330 HydrophobicContact CD2-CG2 4.21Å; L1300-L1337 HydrophobicContact CB-CB 4.37Å; L1300-L1337 PolarHBondContact N-O 2.87Å; L1300-A1339 HydrophobicContact CD2-CB 4.4Å; L1300-A1339 CarbonylContact O-C 3.35Å; L1300-A1339 WeakPolarHBondContact O-CA 3.41Å; L1300-T1340 PolarHBondContact O-N 2.8Å
1301F95.3Very high87.7Confident9 Ų937.9 Ų37.94%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-113.2141.1170.4-61.5-90.8000109.7W1212 V1261 V1262 V1263 R1299 T1340 I1342 L1358W1212-F1301 HydrophobicContact CH2-CE2 4.2Å; W1212-F1301 HydrophobicContact CZ3-CD2 4.12Å; W1212-F1301 AromaticContact CZ3-CE2 3.79Å; W1212-F1301 HydrophobicContact CZ3-CE2 3.79Å; V1261-F1301 PolarHBondContact O-N 3.3Å; V1262-F1301 WeakPolarHBondContact CA-O 3.24Å; V1262-F1301 HydrophobicContact CG1-CB 4.33Å; V1262-F1301 HydrophobicContact CG2-CB 4.32Å; V1263-F1301 PolarHBondContact N-O 3.11Å; R1299-F1301 HydrophobicContact CB-CE2 3.89Å; R1299-F1301 HydrophobicContact CB-CZ 4.39Å; R1299-F1301 HydrophobicContact CG-CD2 4.38Å; R1299-F1301 HydrophobicContact CG-CE2 3.78Å; R1299-F1301 HydrophobicContact CG-CZ 3.9Å; F1301-T1340 WeakPolarHBondContact CA-O 3.21Å; F1301-T1340 HydrophobicContact CD1-CG2 3.85Å; F1301-T1340 HydrophobicContact CE1-CG2 4.01Å; F1301-I1342 HydrophobicContact CD1-CD1 4.06Å; F1301-L1358 HydrophobicContact CB-CD2 3.82Å; F1301-L1358 HydrophobicContact CD1-CD2 3.54Å; F1301-L1358 HydrophobicContact CD2-CD2 3.62Å; F1301-L1358 HydrophobicContact CE1-CD2 3.91Å; F1301-L1358 HydrophobicContact CE2-CD2 3.98Å; F1301-L1358 HydrophobicContact CG-CD2 3.37Å; F1301-L1358 HydrophobicContact CZ-CD2 4.1Å
1302V95.5Very high87.4Confident1 Ų143.4 Ų43.41%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-125.3123173-1720000109.1V1263 L1283 L1300 T1304 L1323 M1327 T1340 I1342V1263-V1302 HydrophobicContact CB-CG1 4.36Å; V1263-V1302 HydrophobicContact CB-CG2 4.34Å; V1263-V1302 WeakPolarHBondContact O-CA 3.41Å; L1283-V1302 HydrophobicContact CD1-CG2 3.73Å; L1283-V1302 HydrophobicContact CD2-CG2 3.95Å; L1300-V1302 HydrophobicContact CD1-CG2 4.31Å; L1300-V1302 HydrophobicContact CG-CG2 4.44Å; V1302-T1304 HydrophobicContact CG1-CG2 4.29Å; V1302-L1323 HydrophobicContact CG1-CD1 4.35Å; V1302-M1327 HydrophobicContact CB-CE 3.6Å; V1302-M1327 HydrophobicContact CB-SD 3.61Å; V1302-M1327 HydrophobicContact CG1-SD 4.19Å; V1302-M1327 HydrophobicContact CG2-CE 3.52Å; V1302-M1327 HydrophobicContact CG2-CG 4.41Å; V1302-M1327 HydrophobicContact CG2-SD 3.75Å; V1302-T1340 PolarHBondContact N-O 3.31Å; V1302-I1342 PolarHBondContact O-N 3.47Å
1303V94.2Very high87.3Confident0 Ų043.3 Ų43.30%026%0.264CS..EExtended strand (participates in β ladder)trans-98.8113178.7-176.10000108.9L1223 V1262 V1263 V1264 T1265 I1342 V1344 V1354L1223-V1303 HydrophobicContact CD2-CG1 4.12Å; V1262-V1303 HydrophobicContact CG1-CG2 3.72Å; V1263-V1303 PolarHBondContact O-N 3.28Å; V1264-V1303 HydrophobicContact CG2-CB 4.47Å; V1264-V1303 HydrophobicContact CG2-CG2 4.5Å; T1265-V1303 WeakPolarHBondContact CB-O 3.39Å; T1265-V1303 WeakPolarHBondContact CG2-O 3.41Å; T1265-V1303 PolarHBondContact N-O 3.39Å; T1265-V1303 PolarHBondContact OG1-O 2.74Å; V1303-I1342 WeakPolarHBondContact CA-O 3.5Å; V1303-I1342 HydrophobicContact CG2-CB 4.49Å; V1303-V1344 HydrophobicContact CG1-CG1 4.43Å; V1303-V1344 HydrophobicContact CG1-CG2 4.38Å; V1303-V1354 HydrophobicContact CG2-CG1 4.24Å
1304T93.9Very high87.5Confident3 Ų342.4 Ų42.42%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-109161.4175.155.30000110.7T1265 V1302 A1307 Q1320 L1323 I1342 D1343 V1344T1265-T1304 HydrophobicContact CG2-CG2 4.09Å; T1265-T1304 WeakPolarHBondContact OG1-CA 3.15Å; V1302-T1304 HydrophobicContact CG1-CG2 4.29Å; T1304-A1307 HydrophobicContact CG2-CB 4.25Å; T1304-Q1320 HydrophobicContact CG2-CB 4.24Å; T1304-L1323 HydrophobicContact CG2-CD1 3.92Å; T1304-I1342 PolarHBondContact N-O 2.73Å; T1304-I1342 VanDerWaalsContact N-O 3.08Å; T1304-D1343 VanDerWaalsContact C-OD1 3.3Å; T1304-D1343 VanDerWaalsContact CB-OD1 3.3Å; T1304-D1343 WeakPolarHBondContact CB-OD1 3.46Å; T1304-D1343 CarbonylContact O-C 3.46Å; T1304-D1343 WeakPolarHBondContact O-CA 3.32Å; T1304-D1343 WeakPolarHBondContact OG1-CB 3.24Å; T1304-D1343 PolarHBondContact OG1-OD1 2.91Å; T1304-V1344 WeakPolarHBondContact O-CG2 3.47Å; T1304-V1344 PolarHBondContact O-N 3.06Å
1305R91.2Very high88.3Confident13 Ų1340.7 Ų40.75%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-116.5113.1174.7-63.9-179.7176.482.4-9.3110.3D1221 L1223 T1265 G1266 A1307 N1317 V1344 N1346D1221-R1305 IonicContact OD1-NH2 3.99Å; D1221-R1305 PolarHBondContact OD1-NH2 3.06Å; D1221-R1305 IonicContact OD2-CZ 2.77Å; D1221-R1305 IonicContact OD2-NH1 3.16Å; D1221-R1305 PolarHBondContact OD2-NH1 2.95Å; D1221-R1305 VanDerWaalsContact OD2-NH1 3.16Å; D1221-R1305 IonicContact OD2-NH2 2.73Å; D1221-R1305 PolarHBondContact OD2-NH2 2.98Å; L1223-R1305 VanDerWaalsContact CB-NH2 3.26Å; T1265-R1305 PolarHBondContact O-NH1 3.31Å; G1266-R1305 VanDerWaalsContact C-NH1 3.25Å; G1266-R1305 PolarHBondContact O-NH1 3.33Å; R1305-A1307 PolarHBondContact O-N 3.44Å; R1305-A1307 VanDerWaalsContact O-N 3.07Å; R1305-N1317 WeakPolarHBondContact O-CB 3.4Å; R1305-N1317 PolarHBondContact O-ND2 3.03Å; R1305-V1344 CarbonylContact C-O 3.5Å; R1305-V1344 WeakPolarHBondContact CA-O 3.43Å; R1305-V1344 HydrophobicContact CG-CG2 3.91Å; R1305-N1346 WeakPolarHBondContact CB-OD1 3.48Å
1306S90.5Very high88.9Confident13 Ų1337.7 Ų37.79%0.09121%0.211CC..SBendtrans51.627.3178.1-51.80000114.6A1308 A1316 N1317 D1343 V1344S1306-A1308 PolarHBondContact O-N 3.35Å; S1306-A1316 CarbonylContact O-C 3.59Å; S1306-A1316 WeakPolarHBondContact O-CA 3.49Å; S1306-N1317 PolarHBondContact O-N 2.73Å; S1306-D1343 VanDerWaalsContact CA-OD2 3.32Å; S1306-D1343 WeakPolarHBondContact CA-OD2 3.48Å; S1306-D1343 PolarHBondContact N-OD1 3.18Å; S1306-D1343 VanDerWaalsContact N-OD1 3.14Å; S1306-D1343 PolarHBondContact N-OD2 2.78Å; S1306-V1344 PolarHBondContact N-O 3.23Å
1307A91.4Very high89.7Confident2 Ų228.9 Ų28.92%0.01717%0.17CC..  trans-73.3-17.8177.100000112.3T1304 R1305 Q1320 D1343T1304-A1307 HydrophobicContact CG2-CB 4.25Å; R1305-A1307 PolarHBondContact O-N 3.44Å; R1305-A1307 VanDerWaalsContact O-N 3.07Å; A1307-Q1320 HydrophobicContact CB-CB 3.77Å; A1307-D1343 WeakPolarHBondContact CB-OD1 3.36Å; A1307-D1343 VanDerWaalsContact N-CG 3.33Å; A1307-D1343 PolarHBondContact N-OD1 2.78Å; A1307-D1343 PolarHBondContact N-OD2 3.07Å; A1307-D1343 VanDerWaalsContact N-OD2 3.15Å
1308A91.1Very high90.2Very high0 Ų027.9 Ų27.90%016%0.163CC..SBendtrans-105140.916800000111.5W1196 S1306 V1310 D1343 R1370W1196-A1308 HydrophobicContact CH2-CB 4.28Å; W1196-A1308 HydrophobicContact CZ2-CB 3.54Å; S1306-A1308 PolarHBondContact O-N 3.35Å; A1308-V1310 HydrophobicContact CB-CG2 3.93Å; A1308-V1310 PolarHBondContact O-N 3.05Å; A1308-D1343 HydrophobicContact CB-CB 4.4Å; A1308-D1343 PolarHBondContact N-OD2 3.36Å; A1308-R1370 PolarHBondContact O-NH2 2.73Å
1309S89.6Confident90.4Very high28 Ų2827.3 Ų27.320%0.19616%0.16CC..  trans-81.2104.6157.2-65.90000108.4W1196 D1314W1196-S1309 PolarHBondContact NE1-O 2.68Å; S1309-D1314 PolarHBondContact OG-O 2.93Å
1310V90.8Very high90.5Very high18 Ų1824.5 Ų24.511%0.10915%0.149CC..  trans-98.4-49178.6-178.50000109W1196 A1308 D1314 A1368 R1370 Y1375W1196-V1310 HydrophobicContact CB-CG1 3.97Å; W1196-V1310 HydrophobicContact CD2-CB 4.36Å; W1196-V1310 HydrophobicContact CD2-CG1 4.02Å; W1196-V1310 HydrophobicContact CD2-CG2 3.99Å; W1196-V1310 HydrophobicContact CE3-CG1 4.32Å; W1196-V1310 HydrophobicContact CE3-CG2 4.36Å; W1196-V1310 HydrophobicContact CG-CB 4.29Å; W1196-V1310 HydrophobicContact CG-CG1 3.89Å; W1196-V1310 HydrophobicContact CG-CG2 4.42Å; W1196-V1310 HydrophobicContact CH2-CG2 4.39Å; W1196-V1310 HydrophobicContact CZ2-CG2 4.02Å; A1308-V1310 HydrophobicContact CB-CG2 3.93Å; A1308-V1310 PolarHBondContact O-N 3.05Å; V1310-D1314 WeakPolarHBondContact CA-OD2 3.4Å; V1310-D1314 WeakPolarHBondContact CB-OD2 3.1Å; V1310-D1314 PolarHBondContact N-OD2 1.9Å; V1310-A1368 HydrophobicContact CG1-CB 4.32Å; V1310-A1368 HydrophobicContact CG2-CB 3.47Å; V1310-A1368 VanDerWaalsContact CG2-CB 3.47Å; V1310-R1370 HydrophobicContact CB-CG 4.17Å; V1310-R1370 HydrophobicContact CG1-CG 4.18Å; V1310-Y1375 HydrophobicContact CG1-CD1 4.11Å; V1310-Y1375 HydrophobicContact CG1-CD2 4.04Å; V1310-Y1375 HydrophobicContact CG1-CG 3.78Å
1311L88.4Confident90.5Very high44 Ų4424.5 Ų24.523%0.2315%0.149CC..SBendtrans-103.1154.4173.5-58.6177.4000110.9S1313 D1314 R1370 Y1375L1311-S1313 PolarHBondContact O-N 3.49Å; L1311-D1314 PolarHBondContact N-OD2 3.05Å; L1311-D1314 WeakPolarHBondContact O-CB 3.14Å; L1311-D1314 PolarHBondContact O-N 3.01Å; L1311-R1370 HydrophobicContact CD1-CB 3.81Å; L1311-R1370 HydrophobicContact CD1-CG 4.07Å; L1311-R1370 HydrophobicContact CG-CB 4.4Å; L1311-R1370 HydrophobicContact CG-CG 4.19Å; L1311-Y1375 HydrophobicContact CD2-CE1 4.45Å
1312P80.4Confident90.4Very high144 Ų14424.1 Ų24.194%0.93515%0.148SC*.THydrogen-bonded Turntrans-60.6-16.7178.2-25.435.4000115.1
1313S80.6Confident90.4Very high101 Ų10124.2 Ų24.271%0.70615%0.148SC*.THydrogen-bonded Turntrans-85.7-9.8175.9470000114.5L1311 L1315L1311-S1313 PolarHBondContact O-N 3.49Å; S1313-L1315 PolarHBondContact O-N 3.12Å
1314D86.7Confident90.4Very high21 Ų2125.9 Ų25.911%0.11216%0.155CC..  trans-72.7114-171.7-72.42.7000112.3S1309 V1310 L1311 A1316 R1370S1309-D1314 PolarHBondContact OG-O 2.93Å; V1310-D1314 WeakPolarHBondContact CA-OD2 3.4Å; V1310-D1314 WeakPolarHBondContact CB-OD2 3.1Å; V1310-D1314 PolarHBondContact N-OD2 1.9Å; L1311-D1314 PolarHBondContact N-OD2 3.05Å; L1311-D1314 WeakPolarHBondContact O-CB 3.14Å; L1311-D1314 PolarHBondContact O-N 3.01Å; D1314-A1316 PolarHBondContact O-N 3.1Å; D1314-R1370 IonicContact OD1-NE 2.78Å; D1314-R1370 PolarHBondContact OD1-NE 3.27Å; D1314-R1370 IonicContact OD2-CZ 2.65Å; D1314-R1370 IonicContact OD2-NE 3.18Å; D1314-R1370 PolarHBondContact OD2-NE 3.46Å; D1314-R1370 IonicContact OD2-NH2 2.65Å; D1314-R1370 PolarHBondContact OD2-NH2 3.47Å; D1314-R1370 VanDerWaalsContact OD2-NH2 3.15Å
1315L86.4Confident90.4Very high99 Ų9925.8 Ų25.852%0.51815%0.154SC..  trans-78.6101.4169.6-176.165.5000109.9S1313 N1317 W1905 A1908S1313-L1315 PolarHBondContact O-N 3.12Å; L1315-N1317 PolarHBondContact O-N 2.87Å; L1315-W1905 HydrophobicContact CD1-CG 4.33Å; L1315-A1908 HydrophobicContact CD1-CB 3.73Å
1316A88.7Confident90.6Very high2 Ų225.3 Ų25.32%0.01715%0.152CC..  trans-58.8124.5-174.700000113.2S1306 D1314 L1318 A1901 W1905S1306-A1316 CarbonylContact O-C 3.59Å; S1306-A1316 WeakPolarHBondContact O-CA 3.49Å; D1314-A1316 PolarHBondContact O-N 3.1Å; A1316-L1318 PolarHBondContact O-N 3.04Å; A1316-L1318 VanDerWaalsContact O-N 3.12Å; A1316-A1901 HydrophobicContact CB-CB 4.11Å; A1316-W1905 HydrophobicContact CB-CB 4.49Å
1317N91.6Very high90.9Very high12 Ų1225.1 Ų25.16%0.06415%0.15CC..  trans-75.595.4177.8-179.65.7000111R1305 S1306 L1315 E1319 Q1320 A1321R1305-N1317 WeakPolarHBondContact O-CB 3.4Å; R1305-N1317 PolarHBondContact O-ND2 3.03Å; S1306-N1317 PolarHBondContact O-N 2.73Å; L1315-N1317 PolarHBondContact O-N 2.87Å; N1317-E1319 PolarHBondContact O-N 2.72Å; N1317-E1319 WeakPolarHBondContact OD1-CB 3.31Å; N1317-E1319 PolarHBondContact OD1-N 3.01Å; N1317-Q1320 PolarHBondContact ND2-NE2 3.03Å; N1317-Q1320 PolarHBondContact ND2-OE1 3.36Å; N1317-Q1320 PolarHBondContact O-N 2.65Å; N1317-A1321 PolarHBondContact O-N 3.46Å
1318L93.2Very high90.9Very high1 Ų126.2 Ų26.21%0.00515%0.154CC..THydrogen-bonded Turntrans-64.8-18.2-177.5-56.7-177000113.9L1272 A1316 Q1320 W1898 A1901 F1902 W1905L1272-L1318 HydrophobicContact CB-CB 4.47Å; L1272-L1318 HydrophobicContact CD2-CB 4.3Å; A1316-L1318 PolarHBondContact O-N 3.04Å; A1316-L1318 VanDerWaalsContact O-N 3.12Å; L1318-Q1320 PolarHBondContact O-N 2.86Å; L1318-W1898 HydrophobicContact CB-CZ2 4.08Å; L1318-W1898 HydrophobicContact CD1-CH2 4.29Å; L1318-W1898 HydrophobicContact CD1-CZ2 3.87Å; L1318-W1898 HydrophobicContact CG-CZ2 4.46Å; L1318-W1898 PolarHBondContact O-NE1 3.37Å; L1318-A1901 HydrophobicContact CD2-CB 4.01Å; L1318-F1902 HydrophobicContact CD1-CD2 3.86Å; L1318-F1902 HydrophobicContact CD2-CB 4.19Å; L1318-W1905 HydrophobicContact CD1-CB 4.17Å; L1318-W1905 HydrophobicContact CD1-CD2 3.63Å; L1318-W1905 HydrophobicContact CD1-CE3 4.03Å; L1318-W1905 HydrophobicContact CD1-CG 3.69Å; L1318-W1905 HydrophobicContact CD2-CB 3.91Å; L1318-W1905 HydrophobicContact CD2-CG 4.24Å; L1318-W1905 HydrophobicContact CG-CB 4.19Å; L1318-W1905 HydrophobicContact CG-CD2 4.41Å; L1318-W1905 HydrophobicContact CG-CG 3.96Å
1319E92.8Very high91Very high2 Ų226.3 Ų26.31%0.00915%0.154CC..THydrogen-bonded Turntrans-69.5-20174-65174.8-144.900111.9T1269 G1270 G1271 L1272 C1275 G1276 Y1279 N1317T1269-E1319 WeakPolarHBondContact CB-OE2 3.44Å; T1269-E1319 VanDerWaalsContact N-CD 3.33Å; T1269-E1319 PolarHBondContact N-OE1 2.92Å; T1269-E1319 PolarHBondContact N-OE2 2.74Å; T1269-E1319 PolarHBondContact OG1-OE1 2.74Å; T1269-E1319 PolarHBondContact OG1-OE2 3.41Å; G1270-E1319 WeakPolarHBondContact CA-OE1 3.5Å; G1270-E1319 PolarHBondContact N-OE1 3.33Å; G1271-E1319 PolarHBondContact N-OE1 3.49Å; G1271-E1319 VanDerWaalsContact N-OE1 3.11Å; L1272-E1319 HydrophobicContact CD2-CG 4.26Å; C1275-E1319 HydrophobicContact CB-CB 4.17Å; C1275-E1319 HydrophobicContact CB-CG 4.06Å; G1276-E1319 WeakPolarHBondContact CA-O 3.41Å; G1276-E1319 PolarHBondContact N-O 3.21Å; Y1279-E1319 WeakPolarHBondContact CD2-O 3.46Å; Y1279-E1319 HydrophobicContact CE2-CB 4.35Å; N1317-E1319 PolarHBondContact O-N 2.72Å; N1317-E1319 WeakPolarHBondContact OD1-CB 3.31Å; N1317-E1319 PolarHBondContact OD1-N 3.01Å
1320Q93.8Very high91.2Very high1 Ų125 Ų251%0.00515%0.145CC..THydrogen-bonded Turntrans-123.9-15.9-175-67.6167.919.300113.4T1265 G1266 Y1279 T1304 A1307 N1317 L1318 G1322 L1323T1265-Q1320 HydrophobicContact CG2-CG 4.18Å; T1265-Q1320 VanDerWaalsContact OG1-CD 3.27Å; T1265-Q1320 PolarHBondContact OG1-NE2 3.44Å; T1265-Q1320 PolarHBondContact OG1-OE1 3.18Å; T1265-Q1320 VanDerWaalsContact OG1-OE1 3.13Å; G1266-Q1320 PolarHBondContact O-NE2 2.57Å; Y1279-Q1320 HydrophobicContact CD2-CG 4.28Å; Y1279-Q1320 HydrophobicContact CE2-CG 4.11Å; T1304-Q1320 HydrophobicContact CG2-CB 4.24Å; A1307-Q1320 HydrophobicContact CB-CB 3.77Å; N1317-Q1320 PolarHBondContact ND2-NE2 3.03Å; N1317-Q1320 PolarHBondContact ND2-OE1 3.36Å; N1317-Q1320 PolarHBondContact O-N 2.65Å; L1318-Q1320 PolarHBondContact O-N 2.86Å; Q1320-G1322 PolarHBondContact O-N 3.23Å; Q1320-L1323 HydrophobicContact CB-CD1 4.48Å; Q1320-L1323 WeakPolarHBondContact O-CB 3.45Å; Q1320-L1323 WeakPolarHBondContact O-CG 3.16Å; Q1320-L1323 PolarHBondContact O-N 2.97Å
1321A93.5Very high91.2Very high0 Ų025.1 Ų25.10%015%0.145CC..THydrogen-bonded Turntrans-52.6-26.7178.500000115.6N1317 L1323 S1897 A1901N1317-A1321 PolarHBondContact O-N 3.46Å; A1321-L1323 VanDerWaalsContact C-N 3.25Å; A1321-L1323 PolarHBondContact O-N 2.68Å; A1321-S1897 WeakPolarHBondContact O-CB 3.46Å; A1321-S1897 PolarHBondContact O-OG 2.78Å; A1321-A1901 HydrophobicContact CB-CB 3.29Å
1322G94.3Very high91.2Very high1 Ų124.1 Ų24.11%0.0114%0.142CC..Hα-helixtrans-65.9-25.6174.900000113.6Q1320 R1324 A1894Q1320-G1322 PolarHBondContact O-N 3.23Å; G1322-R1324 PolarHBondContact O-N 3.25Å; G1322-A1894 WeakPolarHBondContact CA-O 3.4Å; G1322-A1894 VanDerWaalsContact O-CA 3.24Å; G1322-A1894 WeakPolarHBondContact O-CA 3.41Å; G1322-A1894 WeakPolarHBondContact O-CB 3.26Å
1323L95.7Very high91.5Very high4 Ų419 Ų192%0.02111%0.105CC..Hα-helixtrans-68-35.5-174.4-63.3176.8000113T1265 V1280 L1283 V1302 T1304 Q1320 A1321 G1325 L1326 M1327T1265-L1323 HydrophobicContact CG2-CD1 3.74Å; V1280-L1323 HydrophobicContact CG2-CD2 4.1Å; L1283-L1323 HydrophobicContact CB-CD2 4.08Å; L1283-L1323 HydrophobicContact CD2-CD2 3.9Å; V1302-L1323 HydrophobicContact CG1-CD1 4.35Å; T1304-L1323 HydrophobicContact CG2-CD1 3.92Å; Q1320-L1323 HydrophobicContact CB-CD1 4.48Å; Q1320-L1323 WeakPolarHBondContact O-CB 3.45Å; Q1320-L1323 WeakPolarHBondContact O-CG 3.16Å; Q1320-L1323 PolarHBondContact O-N 2.97Å; A1321-L1323 VanDerWaalsContact C-N 3.25Å; A1321-L1323 PolarHBondContact O-N 2.68Å; L1323-G1325 PolarHBondContact O-N 3.31Å; L1323-L1326 HydrophobicContact CD2-CD2 4.49Å; L1323-L1326 CarbonylContact O-C 3.52Å; L1323-L1326 WeakPolarHBondContact O-CB 3.46Å; L1323-L1326 PolarHBondContact O-N 3.41Å; L1323-L1326 VanDerWaalsContact O-N 3.08Å; L1323-M1327 VanDerWaalsContact O-CG 3.29Å; L1323-M1327 WeakPolarHBondContact O-CG 3.34Å; L1323-M1327 PolarHBondContact O-N 2.83Å
1324R94.3Very high91.9Very high35 Ų3516 Ų1613%0.1328%0.08CC..Hα-helixtrans-58.3-47.4-177.6-67-179.865.2-157.65.3112.7G1322 L1326 M1327 R1328 E1366G1322-R1324 PolarHBondContact O-N 3.25Å; R1324-L1326 VanDerWaalsContact C-N 3.34Å; R1324-L1326 PolarHBondContact O-N 3.26Å; R1324-M1327 PolarHBondContact O-N 2.82Å; R1324-R1328 VanDerWaalsContact NH2-NH2 3.16Å; R1324-R1328 WeakPolarHBondContact O-CG 2.95Å; R1324-R1328 PolarHBondContact O-N 3.21Å; R1324-E1366 IonicContact CZ-OE2 3.16Å; R1324-E1366 IonicContact NE-OE2 3.65Å; R1324-E1366 PolarHBondContact NE-OE2 2.97Å; R1324-E1366 IonicContact NH2-OE2 3.62Å; R1324-E1366 PolarHBondContact NH2-OE2 2.87Å
1325G93.9Very high91.9Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-62.5-38.1174.700000113.3L1323 V1329 A1893 S1897L1323-G1325 PolarHBondContact O-N 3.31Å; G1325-V1329 WeakPolarHBondContact O-CG2 3.31Å; G1325-V1329 PolarHBondContact O-N 2.72Å; G1325-A1893 WeakPolarHBondContact O-CB 3.22Å; G1325-S1897 PolarHBondContact N-OG 2.77Å; G1325-S1897 VanDerWaalsContact N-OG 3.1Å
1326L95.8Very high91.9Very high3 Ų318.8 Ų18.82%0.01610%0.096CC..Hα-helixtrans-65.5-44174.4175.261000111.8V1280 L1283 V1284 L1323 R1324 R1328 V1329 I1330 A1894V1280-L1326 HydrophobicContact CG1-CD2 4.27Å; L1283-L1326 HydrophobicContact CB-CD2 3.99Å; L1283-L1326 HydrophobicContact CD2-CD2 3.97Å; L1283-L1326 HydrophobicContact CD2-CG 4.46Å; L1283-L1326 HydrophobicContact CG-CD2 4.11Å; V1284-L1326 HydrophobicContact CG2-CD1 3.94Å; V1284-L1326 HydrophobicContact CG2-CD2 3.91Å; L1323-L1326 HydrophobicContact CD2-CD2 4.49Å; L1323-L1326 CarbonylContact O-C 3.52Å; L1323-L1326 WeakPolarHBondContact O-CB 3.46Å; L1323-L1326 PolarHBondContact O-N 3.41Å; L1323-L1326 VanDerWaalsContact O-N 3.08Å; R1324-L1326 VanDerWaalsContact C-N 3.34Å; R1324-L1326 PolarHBondContact O-N 3.26Å; L1326-R1328 PolarHBondContact O-N 2.94Å; L1326-V1329 CarbonylContact O-C 3.59Å; L1326-V1329 WeakPolarHBondContact O-CA 3.36Å; L1326-V1329 WeakPolarHBondContact O-CB 3.43Å; L1326-V1329 PolarHBondContact O-N 2.8Å; L1326-I1330 HydrophobicContact CD1-CD1 4.12Å; L1326-I1330 HydrophobicContact CD1-CG1 4.15Å; L1326-I1330 HydrophobicContact CD2-CD1 4.27Å; L1326-I1330 HydrophobicContact CG-CD1 3.76Å; L1326-I1330 HydrophobicContact CG-CG1 4.25Å; L1326-I1330 WeakPolarHBondContact O-CG1 3.38Å; L1326-I1330 PolarHBondContact O-N 3.13Å; L1326-A1894 HydrophobicContact CB-CB 4.16Å
1327M95Very high91.9Very high9 Ų918.7 Ų18.74%0.04410%0.095CC..Hα-helixtrans-63.3-40.4-176.9-72.1-179.371.500112.6L1283 V1302 L1323 R1324 V1329 I1330 D1331 T1340 A1341L1283-M1327 HydrophobicContact CD2-CG 3.82Å; V1302-M1327 HydrophobicContact CB-CE 3.6Å; V1302-M1327 HydrophobicContact CB-SD 3.61Å; V1302-M1327 HydrophobicContact CG1-SD 4.19Å; V1302-M1327 HydrophobicContact CG2-CE 3.52Å; V1302-M1327 HydrophobicContact CG2-CG 4.41Å; V1302-M1327 HydrophobicContact CG2-SD 3.75Å; L1323-M1327 VanDerWaalsContact O-CG 3.29Å; L1323-M1327 WeakPolarHBondContact O-CG 3.34Å; L1323-M1327 PolarHBondContact O-N 2.83Å; R1324-M1327 PolarHBondContact O-N 2.82Å; M1327-V1329 PolarHBondContact O-N 3.33Å; M1327-I1330 PolarHBondContact O-N 2.71Å; M1327-D1331 PolarHBondContact O-N 3.49Å; M1327-T1340 WeakPolarHBondContact CE-O 3.35Å; M1327-A1341 HydrophobicContact CE-CB 3.7Å; M1327-A1341 VanDerWaalsContact CE-N 3.35Å; M1327-A1341 HydrophobicContact SD-CB 3.85Å
1328R92.8Very high91.8Very high26 Ų2619 Ų1910%0.09810%0.102CC..Hα-helixtrans-59.8-36.1172.4-64.4169.8-178.7152.82.4112.1R1324 L1326 S1332 E1366 A1882 L1883 G1885R1324-R1328 VanDerWaalsContact NH2-NH2 3.16Å; R1324-R1328 WeakPolarHBondContact O-CG 2.95Å; R1324-R1328 PolarHBondContact O-N 3.21Å; L1326-R1328 PolarHBondContact O-N 2.94Å; R1328-S1332 WeakPolarHBondContact O-CB 3.16Å; R1328-S1332 PolarHBondContact O-N 2.86Å; R1328-E1366 IonicContact CZ-OE1 3.96Å; R1328-E1366 IonicContact CZ-OE2 2.77Å; R1328-E1366 IonicContact NE-OE1 3.41Å; R1328-E1366 PolarHBondContact NE-OE1 3.06Å; R1328-E1366 VanDerWaalsContact NH2-CD 3.29Å; R1328-E1366 IonicContact NH2-OE1 3.77Å; R1328-E1366 PolarHBondContact NH2-OE1 2.82Å; R1328-E1366 IonicContact NH2-OE2 2.89Å; R1328-E1366 PolarHBondContact NH2-OE2 3.18Å; R1328-E1366 VanDerWaalsContact NH2-OE2 3.1Å; R1328-A1882 WeakPolarHBondContact CD-O 3.42Å; R1328-A1882 PolarHBondContact NH1-O 3.46Å; R1328-L1883 WeakPolarHBondContact CD-O 3.19Å; R1328-G1885 VanDerWaalsContact C-CA 3.46Å; R1328-G1885 VanDerWaalsContact CB-CA 3.46Å
1329V93.4Very high91.7Very high2 Ų219.2 Ų19.21%0.01210%0.103CC..Hα-helixtrans-71.7-42.1174.3179.80000111.3G1325 L1326 M1327 D1331 S1332 E1333 S1886 A1893G1325-V1329 WeakPolarHBondContact O-CG2 3.31Å; G1325-V1329 PolarHBondContact O-N 2.72Å; L1326-V1329 CarbonylContact O-C 3.59Å; L1326-V1329 WeakPolarHBondContact O-CA 3.36Å; L1326-V1329 WeakPolarHBondContact O-CB 3.43Å; L1326-V1329 PolarHBondContact O-N 2.8Å; M1327-V1329 PolarHBondContact O-N 3.33Å; V1329-D1331 VanDerWaalsContact C-N 3.33Å; V1329-D1331 PolarHBondContact O-N 2.87Å; V1329-S1332 PolarHBondContact O-N 3.19Å; V1329-E1333 HydrophobicContact CG1-CG 4.23Å; V1329-E1333 WeakPolarHBondContact CG1-OE1 3.45Å; V1329-E1333 WeakPolarHBondContact O-CB 3.35Å; V1329-E1333 PolarHBondContact O-N 3.36Å; V1329-S1886 WeakPolarHBondContact CG2-O 3.49Å; V1329-A1893 HydrophobicContact CG2-CB 3.58Å
1330I93.6Very high91.8Very high1 Ų119.2 Ų19.21%0.00510%0.103CC..Hα-helixtrans-59-45.9176-67.3167000110.2L1283 A1287 L1300 L1326 M1327 E1333 H1334 L1337 A1339 L1840L1283-I1330 HydrophobicContact CD2-CD1 4.09Å; L1283-I1330 HydrophobicContact CG-CD1 3.98Å; A1287-I1330 HydrophobicContact CB-CD1 3.76Å; A1287-I1330 HydrophobicContact CB-CG1 4.29Å; A1287-I1330 HydrophobicContact CB-CG2 4.15Å; L1300-I1330 HydrophobicContact CD2-CG2 4.21Å; L1326-I1330 HydrophobicContact CD1-CD1 4.12Å; L1326-I1330 HydrophobicContact CD1-CG1 4.15Å; L1326-I1330 HydrophobicContact CD2-CD1 4.27Å; L1326-I1330 HydrophobicContact CG-CD1 3.76Å; L1326-I1330 HydrophobicContact CG-CG1 4.25Å; L1326-I1330 WeakPolarHBondContact O-CG1 3.38Å; L1326-I1330 PolarHBondContact O-N 3.13Å; M1327-I1330 PolarHBondContact O-N 2.71Å; I1330-E1333 PolarHBondContact O-N 3.3Å; I1330-H1334 WeakPolarHBondContact O-CA 3.34Å; I1330-H1334 WeakPolarHBondContact O-CB 3.32Å; I1330-H1334 PolarHBondContact O-N 3.4Å; I1330-L1337 HydrophobicContact CG2-CD1 4.08Å; I1330-A1339 HydrophobicContact CB-CB 4.38Å; I1330-A1339 HydrophobicContact CG2-CB 3.89Å; I1330-L1840 HydrophobicContact CG1-CD1 4.24Å; I1330-L1840 HydrophobicContact CG1-CD2 4.35Å; I1330-L1840 HydrophobicContact CG2-CD2 4.44Å
1331D90.5Very high91.9Very high20 Ų2019.4 Ų19.411%0.10711%0.105CC..Hα-helixtrans-64.5-43176.5-165.673.8000111.8M1327 V1329 E1333 H1334 P1335 A1339M1327-D1331 PolarHBondContact O-N 3.49Å; V1329-D1331 VanDerWaalsContact C-N 3.33Å; V1329-D1331 PolarHBondContact O-N 2.87Å; D1331-E1333 VanDerWaalsContact C-N 3.35Å; D1331-E1333 PolarHBondContact O-N 2.95Å; D1331-H1334 CarbonylContact O-C 3.57Å; D1331-H1334 PolarHBondContact O-N 2.99Å; D1331-P1335 WeakPolarHBondContact O-CA 3.43Å; D1331-P1335 WeakPolarHBondContact O-CD 3.38Å; D1331-P1335 WeakPolarHBondContact O-CG 3.49Å; D1331-A1339 HydrophobicContact CB-CB 4.11Å; D1331-A1339 PolarHBondContact OD1-N 2.88Å
1332S87.5Confident91.9Very high23 Ų2319.4 Ų19.416%0.16111%0.105CC..Hα-helixtrans-74.4-18179.6-161.80000115R1328 V1329 G1885 R1975R1328-S1332 WeakPolarHBondContact O-CB 3.16Å; R1328-S1332 PolarHBondContact O-N 2.86Å; V1329-S1332 PolarHBondContact O-N 3.19Å; S1332-G1885 VanDerWaalsContact CB-O 3.23Å; S1332-G1885 WeakPolarHBondContact CB-O 3.43Å; S1332-R1975 PolarHBondContact OG-NH2 2.86Å
1333E87.8Confident92Very high36 Ų3619.6 Ų19.617%0.16811%0.106CC..Hα-helixtrans-89.5-37.2169.8-76.9-174.8-140.600112.2V1329 I1330 D1331 T1839 L1840 P1887 G1888V1329-E1333 HydrophobicContact CG1-CG 4.23Å; V1329-E1333 WeakPolarHBondContact CG1-OE1 3.45Å; V1329-E1333 WeakPolarHBondContact O-CB 3.35Å; V1329-E1333 PolarHBondContact O-N 3.36Å; I1330-E1333 PolarHBondContact O-N 3.3Å; D1331-E1333 VanDerWaalsContact C-N 3.35Å; D1331-E1333 PolarHBondContact O-N 2.95Å; E1333-T1839 WeakPolarHBondContact OE2-CA 3.48Å; E1333-T1839 VanDerWaalsContact OE2-CB 3.25Å; E1333-T1839 WeakPolarHBondContact OE2-CB 3.42Å; E1333-L1840 PolarHBondContact OE2-N 3.32Å; E1333-P1887 HydrophobicContact CG-CB 3.81Å; E1333-P1887 HydrophobicContact CG-CG 4.49Å; E1333-G1888 WeakPolarHBondContact OE1-CA 3.42Å; E1333-G1888 PolarHBondContact OE1-N 2.99Å
1334H89.1Confident91.8Very high37 Ų3719.6 Ų19.617%0.17111%0.106CC..  trans-132.867.5-174.9-64.9-89.8000112A1291 I1330 D1331 H1336 L1337A1291-H1334 VanDerWaalsContact CB-CE1 3.46Å; A1291-H1334 WeakPolarHBondContact CB-CE1 3.31Å; I1330-H1334 WeakPolarHBondContact O-CA 3.34Å; I1330-H1334 WeakPolarHBondContact O-CB 3.32Å; I1330-H1334 PolarHBondContact O-N 3.4Å; D1331-H1334 CarbonylContact O-C 3.57Å; D1331-H1334 PolarHBondContact O-N 2.99Å; H1334-H1336 AromaticContact CG-NE2 3.9Å; H1334-H1336 AromaticContact ND1-CE1 3.51Å; H1334-H1336 AromaticContact ND1-NE2 3.33Å; H1334-H1336 PolarHBondContact ND1-NE2 2.84Å; H1334-H1336 PolarHBondContact O-N 3.16Å; H1334-L1337 HydrophobicContact CB-CD1 3.74Å; H1334-L1337 HydrophobicContact CB-CG 3.96Å; H1334-L1337 WeakPolarHBondContact O-CB 3.43Å; H1334-L1337 PolarHBondContact O-N 2.89Å
1335P86.8Confident91.4Very high71 Ų7118.8 Ų18.846%0.46110%0.104SC..G310 helixtrans-61.5-21.7-175.3-20.829.5000113.9D1331 L1337 G1338D1331-P1335 WeakPolarHBondContact O-CA 3.43Å; D1331-P1335 WeakPolarHBondContact O-CD 3.38Å; D1331-P1335 WeakPolarHBondContact O-CG 3.49Å; P1335-L1337 PolarHBondContact O-N 2.87Å; P1335-G1338 PolarHBondContact O-N 2.94Å
1336H84.9Confident90.2Very high108 Ų10821.7 Ų21.750%0.512%0.12SC..G310 helixtrans-68.4-13.4174.250.4-94.7000113.7H1334H1334-H1336 AromaticContact CG-NE2 3.9Å; H1334-H1336 AromaticContact ND1-CE1 3.51Å; H1334-H1336 AromaticContact ND1-NE2 3.33Å; H1334-H1336 PolarHBondContact ND1-NE2 2.84Å; H1334-H1336 PolarHBondContact O-N 3.16Å
1337L89.7Confident88.7Confident0 Ų029.1 Ų29.10%016%0.159CC..G310 helixtrans-82.7-14.5167.2-63.7178.6000112.7L1290 A1291 P1297 R1299 L1300 I1330 H1334 P1335 A1339L1290-L1337 HydrophobicContact CB-CD1 4.49Å; L1290-L1337 HydrophobicContact CB-CD2 3.85Å; A1291-L1337 HydrophobicContact CB-CD1 4.48Å; P1297-L1337 HydrophobicContact CB-CD2 3.84Å; P1297-L1337 HydrophobicContact CG-CD2 3.74Å; R1299-L1337 CarbonylContact C-O 3.29Å; R1299-L1337 WeakPolarHBondContact CA-O 3.41Å; R1299-L1337 WeakPolarHBondContact CG-O 3.41Å; L1300-L1337 HydrophobicContact CB-CB 4.37Å; L1300-L1337 PolarHBondContact N-O 2.87Å; I1330-L1337 HydrophobicContact CG2-CD1 4.08Å; H1334-L1337 HydrophobicContact CB-CD1 3.74Å; H1334-L1337 HydrophobicContact CB-CG 3.96Å; H1334-L1337 WeakPolarHBondContact O-CB 3.43Å; H1334-L1337 PolarHBondContact O-N 2.89Å; P1335-L1337 PolarHBondContact O-N 2.87Å; L1337-A1339 PolarHBondContact O-N 3.21Å
1338G88.5Confident87.3Confident20 Ų2035 Ų3521%0.20619%0.187CC..  trans46.854.4-179.700000113.3R1299 P1335 T1340R1299-G1338 VanDerWaalsContact CG-O 3.31Å; R1299-G1338 WeakPolarHBondContact CG-O 3.44Å; R1299-G1338 PolarHBondContact NE-O 3Å; P1335-G1338 PolarHBondContact O-N 2.94Å; G1338-T1340 PolarHBondContact O-N 2.93Å; G1338-T1340 VanDerWaalsContact O-N 3.07Å; G1338-T1340 PolarHBondContact O-OG1 3.42Å
1339A92.8Very high86.1Confident5 Ų534.5 Ų34.54%0.04119%0.187CC..  trans-75101.9-155.300000112.2L1300 I1330 D1331 L1337L1300-A1339 HydrophobicContact CD2-CB 4.4Å; L1300-A1339 CarbonylContact O-C 3.35Å; L1300-A1339 WeakPolarHBondContact O-CA 3.41Å; I1330-A1339 HydrophobicContact CB-CB 4.38Å; I1330-A1339 HydrophobicContact CG2-CB 3.89Å; D1331-A1339 HydrophobicContact CB-CB 4.11Å; D1331-A1339 PolarHBondContact OD1-N 2.88Å; L1337-A1339 PolarHBondContact O-N 3.21Å
1340T94.4Very high85.2Confident2 Ų238.9 Ų38.91%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-108.7125.4-161.7-590000113.2R1299 L1300 F1301 V1302 M1327 G1338 I1342 E1364 D1365R1299-T1340 PolarHBondContact NE-OG1 2.83Å; R1299-T1340 VanDerWaalsContact NE-OG1 3.14Å; R1299-T1340 PolarHBondContact NH2-OG1 3.11Å; L1300-T1340 PolarHBondContact O-N 2.8Å; F1301-T1340 WeakPolarHBondContact CA-O 3.21Å; F1301-T1340 HydrophobicContact CD1-CG2 3.85Å; F1301-T1340 HydrophobicContact CE1-CG2 4.01Å; V1302-T1340 PolarHBondContact N-O 3.31Å; M1327-T1340 WeakPolarHBondContact CE-O 3.35Å; G1338-T1340 PolarHBondContact O-N 2.93Å; G1338-T1340 VanDerWaalsContact O-N 3.07Å; G1338-T1340 PolarHBondContact O-OG1 3.42Å; T1340-I1342 HydrophobicContact CG2-CG1 4.46Å; T1340-E1364 VanDerWaalsContact CG2-O 3.26Å; T1340-E1364 WeakPolarHBondContact CG2-O 3.44Å; T1340-D1365 WeakPolarHBondContact CA-O 3.09Å
1341A94.9Very high84.8Confident5 Ų539 Ų394%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-90.3134.4176.300000111.7M1327 D1365 E1366 T1367M1327-A1341 HydrophobicContact CE-CB 3.7Å; M1327-A1341 VanDerWaalsContact CE-N 3.35Å; M1327-A1341 HydrophobicContact SD-CB 3.85Å; A1341-D1365 PolarHBondContact N-O 3.37Å; A1341-E1366 HydrophobicContact CB-CG 4.04Å; A1341-T1367 PolarHBondContact O-N 3.15Å; A1341-T1367 PolarHBondContact O-OG1 3.27Å
1342I95.1Very high84.5Confident0 Ų040.3 Ų40.30%023%0.228CC..EExtended strand (participates in β ladder)trans-126.798.2174.2-50.6-179000107.9F1301 V1302 V1303 T1304 T1340 V1344 V1354 Q1357 L1358F1301-I1342 HydrophobicContact CD1-CD1 4.06Å; V1302-I1342 PolarHBondContact O-N 3.47Å; V1303-I1342 WeakPolarHBondContact CA-O 3.5Å; V1303-I1342 HydrophobicContact CG2-CB 4.49Å; T1304-I1342 PolarHBondContact N-O 2.73Å; T1304-I1342 VanDerWaalsContact N-O 3.08Å; T1340-I1342 HydrophobicContact CG2-CG1 4.46Å; I1342-V1344 HydrophobicContact CG2-CG1 4.41Å; I1342-V1354 HydrophobicContact CD1-CG1 4.44Å; I1342-V1354 HydrophobicContact CG2-CG1 4.47Å; I1342-Q1357 HydrophobicContact CD1-CG 4.22Å; I1342-L1358 HydrophobicContact CD1-CD2 4.02Å
1343D94.8Very high84.5Confident4 Ų441.9 Ų41.92%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-95.5106.1-178.2-16859.2000111.9T1304 S1306 A1307 A1308 T1367 A1368 W1369 R1370T1304-D1343 VanDerWaalsContact C-OD1 3.3Å; T1304-D1343 VanDerWaalsContact CB-OD1 3.3Å; T1304-D1343 WeakPolarHBondContact CB-OD1 3.46Å; T1304-D1343 CarbonylContact O-C 3.46Å; T1304-D1343 WeakPolarHBondContact O-CA 3.32Å; T1304-D1343 WeakPolarHBondContact OG1-CB 3.24Å; T1304-D1343 PolarHBondContact OG1-OD1 2.91Å; S1306-D1343 VanDerWaalsContact CA-OD2 3.32Å; S1306-D1343 WeakPolarHBondContact CA-OD2 3.48Å; S1306-D1343 PolarHBondContact N-OD1 3.18Å; S1306-D1343 VanDerWaalsContact N-OD1 3.14Å; S1306-D1343 PolarHBondContact N-OD2 2.78Å; A1307-D1343 WeakPolarHBondContact CB-OD1 3.36Å; A1307-D1343 VanDerWaalsContact N-CG 3.33Å; A1307-D1343 PolarHBondContact N-OD1 2.78Å; A1307-D1343 PolarHBondContact N-OD2 3.07Å; A1307-D1343 VanDerWaalsContact N-OD2 3.15Å; A1308-D1343 HydrophobicContact CB-CB 4.4Å; A1308-D1343 PolarHBondContact N-OD2 3.36Å; D1343-T1367 PolarHBondContact N-O 2.94Å; D1343-A1368 HydrophobicContact CB-CB 4.21Å; D1343-A1368 CarbonylContact O-C 3.42Å; D1343-A1368 WeakPolarHBondContact O-CA 3.21Å; D1343-A1368 VanDerWaalsContact O-CB 3.26Å; D1343-A1368 WeakPolarHBondContact O-CB 3.45Å; D1343-W1369 PolarHBondContact O-N 3.35Å; D1343-R1370 PolarHBondContact O-NH1 2.94Å; D1343-R1370 IonicContact OD2-CZ 2.73Å; D1343-R1370 IonicContact OD2-NH1 2.89Å; D1343-R1370 IonicContact OD2-NH2 3.61Å; D1343-R1370 PolarHBondContact OD2-NH2 3.23Å
1344V92.8Very high84.6Confident4 Ų440.2 Ų40.22%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-89.9165.9179.3-57.60000111.9L1223 V1303 T1304 R1305 S1306 I1342 T1349 V1354 W1369 R1370L1223-V1344 HydrophobicContact CD2-CG2 4.42Å; V1303-V1344 HydrophobicContact CG1-CG1 4.43Å; V1303-V1344 HydrophobicContact CG1-CG2 4.38Å; T1304-V1344 WeakPolarHBondContact O-CG2 3.47Å; T1304-V1344 PolarHBondContact O-N 3.06Å; R1305-V1344 CarbonylContact C-O 3.5Å; R1305-V1344 WeakPolarHBondContact CA-O 3.43Å; R1305-V1344 HydrophobicContact CG-CG2 3.91Å; S1306-V1344 PolarHBondContact N-O 3.23Å; I1342-V1344 HydrophobicContact CG2-CG1 4.41Å; V1344-T1349 HydrophobicContact CB-CG2 4.05Å; V1344-T1349 HydrophobicContact CG1-CG2 3.74Å; V1344-V1354 HydrophobicContact CG1-CG2 3.8Å; V1344-W1369 HydrophobicContact CG1-CB 4.38Å; V1344-R1370 PolarHBondContact O-NH1 3.44Å
1345D85.6Confident84.6Confident18 Ų1838.6 Ų38.610%0.09622%0.22CC..  trans-74.6161.7161.946.146.4000110.9D1347 E1348 T1349 W1369 R1370 N1371D1345-D1347 PolarHBondContact O-N 3.36Å; D1345-E1348 PolarHBondContact OD1-N 3.28Å; D1345-T1349 WeakPolarHBondContact OD1-CB 3.11Å; D1345-T1349 PolarHBondContact OD1-N 3.17Å; D1345-T1349 PolarHBondContact OD1-OG1 3.44Å; D1345-T1349 PolarHBondContact OD2-OG1 3.06Å; D1345-W1369 PolarHBondContact N-O 3.45Å; D1345-R1370 WeakPolarHBondContact OD2-CA 3.36Å; D1345-N1371 PolarHBondContact OD2-N 3.2Å
1346N69.5Low84.6Confident61 Ų6137.6 Ų37.633%0.32621%0.214SC..SBendtrans-66-35.4-168.6-83.2-62.5000114.3P1268 R1305P1268-N1346 WeakPolarHBondContact CD-OD1 3.17Å; R1305-N1346 WeakPolarHBondContact CB-OD1 3.48Å
1347D64Low84.9Confident159 Ų15932.7 Ų32.785%0.8519%0.192SC*.SBendtrans-136.3-10.3-165.5-67-72.5000115.4D1345D1345-D1347 PolarHBondContact O-N 3.36Å
1348E64.6Low84.9Confident132 Ų13233 Ų3362%0.61719%0.194SC*.SBendtrans-104-30.4-172.1-64.8-165.8-168.900114.5D1345 V1350D1345-E1348 PolarHBondContact OD1-N 3.28Å; E1348-V1350 PolarHBondContact O-N 3.36Å; E1348-V1350 VanDerWaalsContact O-N 3.08Å
1349T67.2Low84.8Confident17 Ų1733.7 Ų33.710%0.10419%0.191CC..  trans-70.2107.6-174.8-61.50000111.5V1344 D1345 A1351 V1354 W1369V1344-T1349 HydrophobicContact CB-CG2 4.05Å; V1344-T1349 HydrophobicContact CG1-CG2 3.74Å; D1345-T1349 WeakPolarHBondContact OD1-CB 3.11Å; D1345-T1349 PolarHBondContact OD1-N 3.17Å; D1345-T1349 PolarHBondContact OD1-OG1 3.44Å; D1345-T1349 PolarHBondContact OD2-OG1 3.06Å; T1349-A1351 PolarHBondContact O-N 2.93Å; T1349-V1354 HydrophobicContact CG2-CG2 4.11Å; T1349-W1369 HydrophobicContact CG2-CB 3.75Å; T1349-W1369 HydrophobicContact CG2-CG 4.04Å
1350V76Confident84.4Confident93 Ų9333.7 Ų33.756%0.56419%0.191SC*.  trans-61.5125.5176.2-173.90000110.2E1348 A1352 L1353E1348-V1350 PolarHBondContact O-N 3.36Å; E1348-V1350 VanDerWaalsContact O-N 3.08Å; V1350-A1352 HydrophobicContact CG1-CB 4.04Å; V1350-A1352 PolarHBondContact O-N 2.9Å; V1350-L1353 WeakPolarHBondContact O-CB 3.36Å; V1350-L1353 PolarHBondContact O-N 3.39Å
1351A83.5Confident83.7Confident4 Ų435.8 Ų35.83%0.03321%0.213CC..Hα-helixtrans-53.4-25.8-177.700000114.5L1223 Q1226 T1349 L1353 V1354 A1355L1223-A1351 HydrophobicContact CD1-CB 3.89Å; Q1226-A1351 HydrophobicContact CB-CB 3.64Å; T1349-A1351 PolarHBondContact O-N 2.93Å; A1351-L1353 VanDerWaalsContact C-N 3.31Å; A1351-L1353 PolarHBondContact O-N 2.82Å; A1351-V1354 PolarHBondContact O-N 2.8Å; A1351-A1355 PolarHBondContact O-N 3.18Å
1352A84.8Confident83.3Confident48 Ų4836.1 Ų36.140%0.39722%0.215SC..Hα-helixtrans-59.6-35.317300000113.6V1350 A1355 S1356V1350-A1352 HydrophobicContact CG1-CB 4.04Å; V1350-A1352 PolarHBondContact O-N 2.9Å; A1352-A1355 PolarHBondContact O-N 3.41Å; A1352-S1356 PolarHBondContact O-N 2.87Å; A1352-S1356 PolarHBondContact O-OG 3.08Å
1353L88.3Confident82.9Confident55 Ų5542.6 Ų42.629%0.28825%0.245SC..Hα-helixtrans-67-40.1177-63.8173.8000111.3V1350 A1351 S1356 Q1357 W1369V1350-L1353 WeakPolarHBondContact O-CB 3.36Å; V1350-L1353 PolarHBondContact O-N 3.39Å; A1351-L1353 VanDerWaalsContact C-N 3.31Å; A1351-L1353 PolarHBondContact O-N 2.82Å; L1353-S1356 PolarHBondContact O-N 2.84Å; L1353-Q1357 PolarHBondContact O-N 2.91Å; L1353-W1369 HydrophobicContact CB-CD2 4.28Å; L1353-W1369 HydrophobicContact CB-CE3 4.27Å; L1353-W1369 HydrophobicContact CB-CH2 4.02Å; L1353-W1369 HydrophobicContact CB-CZ2 4.04Å; L1353-W1369 HydrophobicContact CB-CZ3 4.13Å; L1353-W1369 HydrophobicContact CD1-CE3 3.93Å; L1353-W1369 HydrophobicContact CD1-CZ3 3.92Å; L1353-W1369 HydrophobicContact CD2-CH2 4.13Å; L1353-W1369 HydrophobicContact CD2-CZ3 4.11Å; L1353-W1369 HydrophobicContact CG-CH2 4.47Å; L1353-W1369 HydrophobicContact CG-CZ3 4.28Å
1354V89.6Confident82.8Confident1 Ų143.4 Ų43.41%0.00625%0.249CC..Hα-helixtrans-66-41.8174-1770000110.4L1227 V1303 I1342 V1344 T1349 A1351 Q1357 L1358L1227-V1354 HydrophobicContact CD1-CB 3.9Å; L1227-V1354 HydrophobicContact CD1-CG1 3.83Å; L1227-V1354 HydrophobicContact CD2-CG1 4.14Å; V1303-V1354 HydrophobicContact CG2-CG1 4.24Å; I1342-V1354 HydrophobicContact CD1-CG1 4.44Å; I1342-V1354 HydrophobicContact CG2-CG1 4.47Å; V1344-V1354 HydrophobicContact CG1-CG2 3.8Å; T1349-V1354 HydrophobicContact CG2-CG2 4.11Å; A1351-V1354 PolarHBondContact O-N 2.8Å; V1354-Q1357 PolarHBondContact O-N 2.89Å; V1354-L1358 HydrophobicContact CG1-CD1 4.4Å; V1354-L1358 VanDerWaalsContact O-CG 3.32Å; V1354-L1358 WeakPolarHBondContact O-CG 3.45Å; V1354-L1358 PolarHBondContact O-N 2.95Å
1355A88.7Confident82.7Confident4 Ų444.5 Ų44.53%0.03325%0.254CS..Hα-helixtrans-60.1-45.417400000112.4L1227 A1230 L1231 A1351 A1352 Q1357 L1358 Q1359L1227-A1355 HydrophobicContact CD1-CB 3.99Å; A1230-A1355 HydrophobicContact CB-CB 3.76Å; L1231-A1355 HydrophobicContact CD2-CB 3.99Å; L1231-A1355 HydrophobicContact CG-CB 4.14Å; A1351-A1355 PolarHBondContact O-N 3.18Å; A1352-A1355 PolarHBondContact O-N 3.41Å; A1355-Q1357 VanDerWaalsContact C-N 3.33Å; A1355-Q1357 PolarHBondContact O-N 2.69Å; A1355-L1358 PolarHBondContact O-N 3.17Å; A1355-Q1359 WeakPolarHBondContact O-CG 3.33Å; A1355-Q1359 PolarHBondContact O-N 3.04Å
1356S87.4Confident83.1Confident49 Ų4944.2 Ų44.234%0.34325%0.253SS..Hα-helixtrans-61.2-40.1173.9-62.70000112.1A1352 L1353 Q1359 S1360A1352-S1356 PolarHBondContact O-N 2.87Å; A1352-S1356 PolarHBondContact O-OG 3.08Å; L1353-S1356 PolarHBondContact O-N 2.84Å; S1356-Q1359 PolarHBondContact O-N 3.43Å; S1356-S1360 PolarHBondContact O-N 3.49Å
1357Q91.2Very high84.3Confident6 Ų641.4 Ų41.43%0.02824%0.238CC..Hα-helixtrans-63.1-46.6175.8178.6174.1-6.600112.3L1201 I1342 L1353 V1354 A1355 Q1359 S1360 T1367 W1369L1201-Q1357 HydrophobicContact CD1-CB 3.92Å; L1201-Q1357 HydrophobicContact CD1-CG 3.82Å; L1201-Q1357 HydrophobicContact CD2-CB 4.22Å; I1342-Q1357 HydrophobicContact CD1-CG 4.22Å; L1353-Q1357 PolarHBondContact O-N 2.91Å; V1354-Q1357 PolarHBondContact O-N 2.89Å; A1355-Q1357 VanDerWaalsContact C-N 3.33Å; A1355-Q1357 PolarHBondContact O-N 2.69Å; Q1357-Q1359 PolarHBondContact O-N 3.34Å; Q1357-S1360 WeakPolarHBondContact O-CB 3.2Å; Q1357-S1360 PolarHBondContact O-N 2.9Å; Q1357-S1360 PolarHBondContact O-OG 2.89Å; Q1357-T1367 PolarHBondContact NE2-OG1 2.93Å; Q1357-W1369 HydrophobicContact CB-CZ2 4.47Å
1358L89.9Confident85.8Confident7 Ų733.8 Ų33.84%0.03720%0.197CC..Hα-helixtrans-56.4-35.3177.4-69.2169.6000111.8W1212 L1227 L1231 V1262 F1301 I1342 V1354 A1355W1212-L1358 HydrophobicContact CH2-CB 3.87Å; W1212-L1358 WeakPolarHBondContact CH2-O 3.48Å; W1212-L1358 HydrophobicContact CZ3-CB 3.96Å; W1212-L1358 HydrophobicContact CZ3-CD2 4.07Å; W1212-L1358 HydrophobicContact CZ3-CG 4.43Å; L1227-L1358 HydrophobicContact CD1-CD1 4.13Å; L1227-L1358 HydrophobicContact CD2-CD1 4.23Å; L1227-L1358 HydrophobicContact CG-CD1 4.46Å; L1231-L1358 HydrophobicContact CD1-CD1 4.24Å; L1231-L1358 HydrophobicContact CD2-CD1 4.4Å; V1262-L1358 HydrophobicContact CG2-CD1 3.85Å; V1262-L1358 HydrophobicContact CG2-CD2 3.93Å; F1301-L1358 HydrophobicContact CB-CD2 3.82Å; F1301-L1358 HydrophobicContact CD1-CD2 3.54Å; F1301-L1358 HydrophobicContact CD2-CD2 3.62Å; F1301-L1358 HydrophobicContact CE1-CD2 3.91Å; F1301-L1358 HydrophobicContact CE2-CD2 3.98Å; F1301-L1358 HydrophobicContact CG-CD2 3.37Å; F1301-L1358 HydrophobicContact CZ-CD2 4.1Å; I1342-L1358 HydrophobicContact CD1-CD2 4.02Å; V1354-L1358 HydrophobicContact CG1-CD1 4.4Å; V1354-L1358 VanDerWaalsContact O-CG 3.32Å; V1354-L1358 WeakPolarHBondContact O-CG 3.45Å; V1354-L1358 PolarHBondContact O-N 2.95Å; A1355-L1358 PolarHBondContact O-N 3.17Å
1359Q85.8Confident87.2Confident34 Ų3428.1 Ų28.116%0.15917%0.17CC..Hα-helixtrans-88.7-16.8-178.9-66.5176.6-10.800114.7V1204 W1212 L1231 A1355 S1356 Q1357 G1361V1204-Q1359 HydrophobicContact CG1-CB 3.82Å; V1204-Q1359 HydrophobicContact CG2-CB 4.37Å; W1212-Q1359 HydrophobicContact CZ2-CG 4.48Å; L1231-Q1359 HydrophobicContact CD2-CG 4.25Å; A1355-Q1359 WeakPolarHBondContact O-CG 3.33Å; A1355-Q1359 PolarHBondContact O-N 3.04Å; S1356-Q1359 PolarHBondContact O-N 3.43Å; Q1357-Q1359 PolarHBondContact O-N 3.34Å; Q1359-G1361 PolarHBondContact O-N 3.34Å
1360S85Confident88.3Confident5 Ų527.6 Ų27.64%0.03517%0.166CC..THydrogen-bonded Turntrans-59.9-17.4-179.1680000115P1202 S1356 Q1357 S1362P1202-S1360 WeakPolarHBondContact O-CB 3.31Å; S1356-S1360 PolarHBondContact O-N 3.49Å; Q1357-S1360 WeakPolarHBondContact O-CB 3.2Å; Q1357-S1360 PolarHBondContact O-N 2.9Å; Q1357-S1360 PolarHBondContact O-OG 2.89Å; S1360-S1362 PolarHBondContact O-N 2.99Å; S1360-S1362 WeakPolarHBondContact OG-CB 3.29Å; S1360-S1362 PolarHBondContact OG-N 2.82Å; S1360-S1362 VanDerWaalsContact OG-N 3.12Å
1361G79.7Confident88.7Confident46 Ų4628.4 Ų28.447%0.47417%0.167SC..THydrogen-bonded Turntrans68.87.9-17000000114Q1359 Q1363Q1359-G1361 PolarHBondContact O-N 3.34Å; G1361-Q1363 PolarHBondContact O-N 2.92Å
1362S86.4Confident88.7Confident11 Ų1130 Ų308%0.07718%0.184CC..  trans-49.8129-176.1178.80000112.8R1299 S1360 E1364R1299-S1362 VanDerWaalsContact CZ-O 3.3Å; R1299-S1362 PolarHBondContact NH1-O 2.7Å; R1299-S1362 PolarHBondContact NH2-O 3.29Å; S1360-S1362 PolarHBondContact O-N 2.99Å; S1360-S1362 WeakPolarHBondContact OG-CB 3.29Å; S1360-S1362 PolarHBondContact OG-N 2.82Å; S1360-S1362 VanDerWaalsContact OG-N 3.12Å; S1362-E1364 PolarHBondContact O-N 3.01Å; S1362-E1364 WeakPolarHBondContact OG-CG 3.32Å; S1362-E1364 PolarHBondContact OG-N 3.44Å
1363Q86.7Confident89Confident137 Ų13730.2 Ų30.264%0.6418%0.178SC*.  trans-9021179.3-64.4-179.1-32.300112.7G1361 R1977G1361-Q1363 PolarHBondContact O-N 2.92Å; Q1363-R1977 VanDerWaalsContact O-CG 3.27Å; Q1363-R1977 WeakPolarHBondContact O-CG 3.4Å
1364E91.7Very high89.2Confident21 Ų2128.3 Ų28.310%0.09817%0.167CC..  trans-80.5136.1176.2-67.6-66.2155.600111.2R1299 T1340 S1362 T1367 W1374 T1376 R1378 R1977R1299-E1364 PolarHBondContact NH2-O 3.31Å; T1340-E1364 VanDerWaalsContact CG2-O 3.26Å; T1340-E1364 WeakPolarHBondContact CG2-O 3.44Å; S1362-E1364 PolarHBondContact O-N 3.01Å; S1362-E1364 WeakPolarHBondContact OG-CG 3.32Å; S1362-E1364 PolarHBondContact OG-N 3.44Å; E1364-T1367 HydrophobicContact CB-CG2 3.53Å; E1364-T1367 HydrophobicContact CG-CG2 4.42Å; E1364-W1374 HydrophobicContact CB-CZ2 4.34Å; E1364-W1374 HydrophobicContact CG-CH2 3.76Å; E1364-W1374 HydrophobicContact CG-CZ2 4.02Å; E1364-T1376 HydrophobicContact CB-CG2 4.37Å; E1364-T1376 HydrophobicContact CG-CG2 3.66Å; E1364-R1378 IonicContact OE1-CZ 2.91Å; E1364-R1378 IonicContact OE1-NH1 3.79Å; E1364-R1378 IonicContact OE1-NH2 3.94Å; E1364-R1378 PolarHBondContact OE1-NH2 2.74Å; E1364-R1378 IonicContact OE2-CZ 3.28Å; E1364-R1378 IonicContact OE2-NH1 3.72Å; E1364-R1378 PolarHBondContact OE2-NH1 2.91Å; E1364-R1378 IonicContact OE2-NH2 3.05Å; E1364-R1378 PolarHBondContact OE2-NH2 2.8Å; E1364-R1977 WeakPolarHBondContact OE2-CB 3.39Å
1365D90.1Very high89.5Confident26 Ų2629.7 Ų29.714%0.13917%0.172CC..SBendtrans-85.7-40.9-175.4-33.6-68.5000111.7T1340 A1341 S1976 R1977 F1978T1340-D1365 WeakPolarHBondContact CA-O 3.09Å; A1341-D1365 PolarHBondContact N-O 3.37Å; D1365-S1976 VanDerWaalsContact CG-OG 3.22Å; D1365-S1976 WeakPolarHBondContact OD2-CB 3.34Å; D1365-S1976 PolarHBondContact OD2-OG 2.82Å; D1365-R1977 PolarHBondContact OD2-N 3.21Å; D1365-F1978 PolarHBondContact OD2-N 3.34Å
1366E94.5Very high89.8Confident13 Ų1330 Ų306%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-131.9125.3179-81.5-173.2-99.700111.1W1196 R1324 R1328 A1341 A1377W1196-E1366 HydrophobicContact CH2-CB 4.48Å; R1324-E1366 IonicContact CZ-OE2 3.16Å; R1324-E1366 IonicContact NE-OE2 3.65Å; R1324-E1366 PolarHBondContact NE-OE2 2.97Å; R1324-E1366 IonicContact NH2-OE2 3.62Å; R1324-E1366 PolarHBondContact NH2-OE2 2.87Å; R1328-E1366 IonicContact CZ-OE1 3.96Å; R1328-E1366 IonicContact CZ-OE2 2.77Å; R1328-E1366 IonicContact NE-OE1 3.41Å; R1328-E1366 PolarHBondContact NE-OE1 3.06Å; R1328-E1366 VanDerWaalsContact NH2-CD 3.29Å; R1328-E1366 IonicContact NH2-OE1 3.77Å; R1328-E1366 PolarHBondContact NH2-OE1 2.82Å; R1328-E1366 IonicContact NH2-OE2 2.89Å; R1328-E1366 PolarHBondContact NH2-OE2 3.18Å; R1328-E1366 VanDerWaalsContact NH2-OE2 3.1Å; A1341-E1366 HydrophobicContact CB-CG 4.04Å; E1366-A1377 HydrophobicContact CB-CB 3.8Å; E1366-A1377 PolarHBondContact O-N 3.42Å
1367T95.6Very high90.2Very high1 Ų127.7 Ų27.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-139.7159.6-17463.40000111.2A1341 D1343 Q1357 E1364 W1374 Y1375 T1376A1341-T1367 PolarHBondContact O-N 3.15Å; A1341-T1367 PolarHBondContact O-OG1 3.27Å; D1343-T1367 PolarHBondContact N-O 2.94Å; Q1357-T1367 PolarHBondContact NE2-OG1 2.93Å; E1364-T1367 HydrophobicContact CB-CG2 3.53Å; E1364-T1367 HydrophobicContact CG-CG2 4.42Å; T1367-W1374 HydrophobicContact CG2-CZ2 3.81Å; T1367-Y1375 CarbonylContact C-O 3.55Å; T1367-Y1375 WeakPolarHBondContact CA-O 3.39Å; T1367-T1376 HydrophobicContact CG2-CG2 4.43Å
1368A94.7Very high90.3Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-146.1155.2175.500000112.3W1196 V1310 D1343 Y1375W1196-A1368 HydrophobicContact CE3-CB 4.36Å; W1196-A1368 HydrophobicContact CH2-CB 4.1Å; W1196-A1368 HydrophobicContact CZ3-CB 3.82Å; V1310-A1368 HydrophobicContact CG1-CB 4.32Å; V1310-A1368 HydrophobicContact CG2-CB 3.47Å; V1310-A1368 VanDerWaalsContact CG2-CB 3.47Å; D1343-A1368 HydrophobicContact CB-CB 4.21Å; D1343-A1368 CarbonylContact O-C 3.42Å; D1343-A1368 WeakPolarHBondContact O-CA 3.21Å; D1343-A1368 VanDerWaalsContact O-CB 3.26Å; D1343-A1368 WeakPolarHBondContact O-CB 3.45Å; A1368-Y1375 PolarHBondContact N-O 3.38Å; A1368-Y1375 PolarHBondContact O-N 2.8Å
1369W93.5Very high90.4Very high13 Ų1327.7 Ų27.75%0.04916%0.157CC..EExtended strand (participates in β ladder)trans-115132.3167.2-69.388000109.5L1201 D1343 V1344 D1345 T1349 L1353 Q1357 G1372 I1373 W1374L1201-W1369 HydrophobicContact CD2-CZ2 4.45Å; D1343-W1369 PolarHBondContact O-N 3.35Å; V1344-W1369 HydrophobicContact CG1-CB 4.38Å; D1345-W1369 PolarHBondContact N-O 3.45Å; T1349-W1369 HydrophobicContact CG2-CB 3.75Å; T1349-W1369 HydrophobicContact CG2-CG 4.04Å; L1353-W1369 HydrophobicContact CB-CD2 4.28Å; L1353-W1369 HydrophobicContact CB-CE3 4.27Å; L1353-W1369 HydrophobicContact CB-CH2 4.02Å; L1353-W1369 HydrophobicContact CB-CZ2 4.04Å; L1353-W1369 HydrophobicContact CB-CZ3 4.13Å; L1353-W1369 HydrophobicContact CD1-CE3 3.93Å; L1353-W1369 HydrophobicContact CD1-CZ3 3.92Å; L1353-W1369 HydrophobicContact CD2-CH2 4.13Å; L1353-W1369 HydrophobicContact CD2-CZ3 4.11Å; L1353-W1369 HydrophobicContact CG-CH2 4.47Å; L1353-W1369 HydrophobicContact CG-CZ3 4.28Å; Q1357-W1369 HydrophobicContact CB-CZ2 4.47Å; W1369-G1372 WeakPolarHBondContact CZ3-O 3.34Å; W1369-I1373 WeakPolarHBondContact CA-O 3.31Å; W1369-W1374 HydrophobicContact CD2-CB 4.4Å; W1369-W1374 AromaticContact CE2-CD1 3.53Å; W1369-W1374 HydrophobicContact CE3-CB 4.17Å; W1369-W1374 HydrophobicContact CH2-CB 3.83Å; W1369-W1374 HydrophobicContact CH2-CG 4.29Å; W1369-W1374 HydrophobicContact CZ2-CB 4.05Å; W1369-W1374 AromaticContact CZ2-CD1 3.65Å; W1369-W1374 HydrophobicContact CZ2-CG 4.03Å; W1369-W1374 HydrophobicContact CZ3-CB 3.89Å; W1369-W1374 AromaticContact NE1-CD1 3.63Å
1370R91.6Very high90.6Very high5 Ų529.5 Ų29.52%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-136.9119.9171.8-65-66.3-178.3-88.9-0.5109.1A1308 V1310 L1311 D1314 D1343 V1344 D1345 G1372 I1373 Y1375A1308-R1370 PolarHBondContact O-NH2 2.73Å; V1310-R1370 HydrophobicContact CB-CG 4.17Å; V1310-R1370 HydrophobicContact CG1-CG 4.18Å; L1311-R1370 HydrophobicContact CD1-CB 3.81Å; L1311-R1370 HydrophobicContact CD1-CG 4.07Å; L1311-R1370 HydrophobicContact CG-CB 4.4Å; L1311-R1370 HydrophobicContact CG-CG 4.19Å; D1314-R1370 IonicContact OD1-NE 2.78Å; D1314-R1370 PolarHBondContact OD1-NE 3.27Å; D1314-R1370 IonicContact OD2-CZ 2.65Å; D1314-R1370 IonicContact OD2-NE 3.18Å; D1314-R1370 PolarHBondContact OD2-NE 3.46Å; D1314-R1370 IonicContact OD2-NH2 2.65Å; D1314-R1370 PolarHBondContact OD2-NH2 3.47Å; D1314-R1370 VanDerWaalsContact OD2-NH2 3.15Å; D1343-R1370 PolarHBondContact O-NH1 2.94Å; D1343-R1370 IonicContact OD2-CZ 2.73Å; D1343-R1370 IonicContact OD2-NH1 2.89Å; D1343-R1370 IonicContact OD2-NH2 3.61Å; D1343-R1370 PolarHBondContact OD2-NH2 3.23Å; V1344-R1370 PolarHBondContact O-NH1 3.44Å; D1345-R1370 WeakPolarHBondContact OD2-CA 3.36Å; R1370-G1372 PolarHBondContact O-N 2.78Å; R1370-G1372 VanDerWaalsContact O-N 3.15Å; R1370-I1373 PolarHBondContact N-O 3.44Å; R1370-I1373 WeakPolarHBondContact O-CB 3.39Å; R1370-I1373 PolarHBondContact O-N 3.01Å; R1370-Y1375 HydrophobicContact CB-CD2 4.48Å; R1370-Y1375 HydrophobicContact CB-CE2 4.05Å
1371N84.6Confident90.7Very high111 Ų11131.4 Ų31.459%0.59417%0.174SC*.THydrogen-bonded Turntrans54.734178-46.81.2000112.3D1345 I1373D1345-N1371 PolarHBondContact OD2-N 3.2Å; N1371-I1373 PolarHBondContact O-N 3.17Å
1372G83.9Confident90.8Very high37 Ų3729.2 Ų29.238%0.38115%0.152SC..THydrogen-bonded Turntrans76.59.2-175.800000116.4W1369 R1370W1369-G1372 WeakPolarHBondContact CZ3-O 3.34Å; R1370-G1372 PolarHBondContact O-N 2.78Å; R1370-G1372 VanDerWaalsContact O-N 3.15Å
1373I90.1Very high90.8Very high53 Ų5331.5 Ų31.527%0.27217%0.167SC..EExtended strand (participates in β ladder)trans-101.2136.2172.8-58.7176.4000109.8R1198 W1369 R1370 N1371 Y1375R1198-I1373 HydrophobicContact CG-CG2 3.72Å; W1369-I1373 WeakPolarHBondContact CA-O 3.31Å; R1370-I1373 PolarHBondContact N-O 3.44Å; R1370-I1373 WeakPolarHBondContact O-CB 3.39Å; R1370-I1373 PolarHBondContact O-N 3.01Å; N1371-I1373 PolarHBondContact O-N 3.17Å; I1373-Y1375 HydrophobicContact CB-CE2 3.78Å; I1373-Y1375 HydrophobicContact CG2-CD2 4.22Å; I1373-Y1375 HydrophobicContact CG2-CE2 3.53Å; I1373-Y1375 WeakPolarHBondContact O-CD2 3.44Å
1374W93.3Very high90.8Very high14 Ų1426.3 Ų26.35%0.05314%0.143CC..EExtended strand (participates in β ladder)trans-87.9138.5177.2-169.259.3000111.8G1199 E1200 L1201 E1364 T1367 W1369 T1376G1199-W1374 PolarHBondContact N-O 3.22Å; G1199-W1374 VanDerWaalsContact N-O 3.11Å; E1200-W1374 VanDerWaalsContact O-CZ3 3.28Å; E1200-W1374 WeakPolarHBondContact O-CZ3 3.37Å; L1201-W1374 HydrophobicContact CB-CD2 4.34Å; L1201-W1374 HydrophobicContact CB-CE3 4.27Å; L1201-W1374 HydrophobicContact CD1-CD2 4.11Å; L1201-W1374 HydrophobicContact CD1-CE3 4.49Å; L1201-W1374 HydrophobicContact CD1-CH2 4.21Å; L1201-W1374 HydrophobicContact CD1-CZ2 3.8Å; E1364-W1374 HydrophobicContact CB-CZ2 4.34Å; E1364-W1374 HydrophobicContact CG-CH2 3.76Å; E1364-W1374 HydrophobicContact CG-CZ2 4.02Å; T1367-W1374 HydrophobicContact CG2-CZ2 3.81Å; W1369-W1374 HydrophobicContact CD2-CB 4.4Å; W1369-W1374 AromaticContact CE2-CD1 3.53Å; W1369-W1374 HydrophobicContact CE3-CB 4.17Å; W1369-W1374 HydrophobicContact CH2-CB 3.83Å; W1369-W1374 HydrophobicContact CH2-CG 4.29Å; W1369-W1374 HydrophobicContact CZ2-CB 4.05Å; W1369-W1374 AromaticContact CZ2-CD1 3.65Å; W1369-W1374 HydrophobicContact CZ2-CG 4.03Å; W1369-W1374 HydrophobicContact CZ3-CB 3.89Å; W1369-W1374 AromaticContact NE1-CD1 3.63Å; W1374-T1376 HydrophobicContact CD2-CG2 4.4Å; W1374-T1376 HydrophobicContact CE3-CG2 4.17Å; W1374-T1376 HydrophobicContact CH2-CG2 3.58Å; W1374-T1376 HydrophobicContact CZ2-CG2 3.81Å; W1374-T1376 HydrophobicContact CZ3-CG2 3.77Å
1375Y95.6Very high90.4Very high30 Ų3030.8 Ų30.812%0.11816%0.159CC..EExtended strand (participates in β ladder)trans-131.3145.9177.6-65.9-96.3000110.7E1197 R1198 V1310 L1311 T1367 A1368 R1370 I1373E1197-Y1375 CarbonylContact O-C 3.5Å; E1197-Y1375 VanDerWaalsContact O-CA 3.24Å; E1197-Y1375 WeakPolarHBondContact O-CA 3.21Å; R1198-Y1375 HydrophobicContact CB-CD1 4.13Å; R1198-Y1375 HydrophobicContact CB-CE1 3.85Å; R1198-Y1375 HydrophobicContact CG-CE1 4.5Å; V1310-Y1375 HydrophobicContact CG1-CD1 4.11Å; V1310-Y1375 HydrophobicContact CG1-CD2 4.04Å; V1310-Y1375 HydrophobicContact CG1-CG 3.78Å; L1311-Y1375 HydrophobicContact CD2-CE1 4.45Å; T1367-Y1375 CarbonylContact C-O 3.55Å; T1367-Y1375 WeakPolarHBondContact CA-O 3.39Å; A1368-Y1375 PolarHBondContact N-O 3.38Å; A1368-Y1375 PolarHBondContact O-N 2.8Å; R1370-Y1375 HydrophobicContact CB-CD2 4.48Å; R1370-Y1375 HydrophobicContact CB-CE2 4.05Å; I1373-Y1375 HydrophobicContact CB-CE2 3.78Å; I1373-Y1375 HydrophobicContact CG2-CD2 4.22Å; I1373-Y1375 HydrophobicContact CG2-CE2 3.53Å; I1373-Y1375 WeakPolarHBondContact O-CD2 3.44Å
1376T95.4Very high89.6Confident10 Ų1032.7 Ų32.76%0.06117%0.173CC..EExtended strand (participates in β ladder)trans-118.4147.7173.662.30000109.9W1196 E1197 E1364 T1367 W1374W1196-T1376 WeakPolarHBondContact CA-O 3.4Å; E1197-T1376 PolarHBondContact N-O 3.1Å; E1197-T1376 PolarHBondContact O-N 3.09Å; E1364-T1376 HydrophobicContact CB-CG2 4.37Å; E1364-T1376 HydrophobicContact CG-CG2 3.66Å; T1367-T1376 HydrophobicContact CG2-CG2 4.43Å; W1374-T1376 HydrophobicContact CD2-CG2 4.4Å; W1374-T1376 HydrophobicContact CE3-CG2 4.17Å; W1374-T1376 HydrophobicContact CH2-CG2 3.58Å; W1374-T1376 HydrophobicContact CZ2-CG2 3.81Å; W1374-T1376 HydrophobicContact CZ3-CG2 3.77Å
1377A95.1Very high88.8Confident1 Ų136.9 Ų36.91%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-92.1143.6178.600000111.8I1194 E1195 W1196 E1366 F1978I1194-A1377 HydrophobicContact CG2-CB 4.01Å; E1195-A1377 WeakPolarHBondContact O-CA 3.46Å; W1196-A1377 HydrophobicContact CD2-CB 4.19Å; W1196-A1377 HydrophobicContact CE3-CB 3.91Å; W1196-A1377 HydrophobicContact CH2-CB 3.91Å; W1196-A1377 HydrophobicContact CZ2-CB 4.17Å; W1196-A1377 HydrophobicContact CZ3-CB 3.77Å; E1366-A1377 HydrophobicContact CB-CB 3.8Å; E1366-A1377 PolarHBondContact O-N 3.42Å; A1377-F1978 HydrophobicContact CB-CD2 3.87Å; A1377-F1978 HydrophobicContact CB-CE2 3.74Å
1378R93.4Very high88.4Confident14 Ų1438.8 Ų38.85%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-136130.4173.2-67.4-65.1-177.1-88.37.2111.8I1194 E1195 E1197 E1364 R1380 R1977 F1978 E1980I1194-R1378 CarbonylContact C-O 3.54Å; I1194-R1378 WeakPolarHBondContact CA-O 3.42Å; E1195-R1378 PolarHBondContact N-O 2.74Å; E1195-R1378 PolarHBondContact O-N 2.99Å; E1197-R1378 WeakPolarHBondContact OE1-CB 3.42Å; E1197-R1378 VanDerWaalsContact OE1-CG 3.26Å; E1197-R1378 WeakPolarHBondContact OE1-CG 3.4Å; E1364-R1378 IonicContact OE1-CZ 2.91Å; E1364-R1378 IonicContact OE1-NH1 3.79Å; E1364-R1378 IonicContact OE1-NH2 3.94Å; E1364-R1378 PolarHBondContact OE1-NH2 2.74Å; E1364-R1378 IonicContact OE2-CZ 3.28Å; E1364-R1378 IonicContact OE2-NH1 3.72Å; E1364-R1378 PolarHBondContact OE2-NH1 2.91Å; E1364-R1378 IonicContact OE2-NH2 3.05Å; E1364-R1378 PolarHBondContact OE2-NH2 2.8Å; R1378-R1380 HydrophobicContact CB-CG 4.22Å; R1378-R1977 WeakPolarHBondContact CD-O 3.47Å; R1378-R1977 PolarHBondContact NE-O 3.06Å; R1378-F1978 CarbonylContact C-O 3.56Å; R1378-F1978 WeakPolarHBondContact CA-O 3.39Å; R1378-E1980 IonicContact CZ-OE2 2.72Å; R1378-E1980 IonicContact NE-OE2 3.5Å; R1378-E1980 PolarHBondContact NE-OE2 2.86Å; R1378-E1980 IonicContact NH2-OE2 3.53Å; R1378-E1980 PolarHBondContact NH2-OE2 3.35Å; R1378-E1980 VanDerWaalsContact NH2-OE2 3.08Å
1379L92.4Very high88.1Confident0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-76.1114.5165.4179.465.6000109.1L1192 T1193 L1883 I1963 L1969 F1972 F1978L1192-L1379 HydrophobicContact CB-CD1 4.02Å; L1192-L1379 HydrophobicContact CD1-CD1 4.49Å; L1192-L1379 HydrophobicContact CD2-CD1 4.34Å; T1193-L1379 WeakPolarHBondContact O-CA 3.28Å; L1379-L1883 HydrophobicContact CD1-CD1 3.86Å; L1379-L1883 HydrophobicContact CD1-CD2 4.05Å; L1379-L1883 HydrophobicContact CD1-CG 4.05Å; L1379-I1963 HydrophobicContact CD2-CD1 4.4Å; L1379-L1969 HydrophobicContact CD2-CD1 4.33Å; L1379-F1972 HydrophobicContact CD2-CD1 4.35Å; L1379-F1972 HydrophobicContact CD2-CE1 3.96Å; L1379-F1978 HydrophobicContact CB-CD1 3.68Å; L1379-F1978 HydrophobicContact CB-CE1 3.69Å; L1379-F1978 HydrophobicContact CB-CG 4.29Å; L1379-F1978 HydrophobicContact CB-CZ 4.29Å; L1379-F1978 WeakPolarHBondContact CB-O 3.1Å; L1379-F1978 HydrophobicContact CD2-CD1 4.45Å; L1379-F1978 HydrophobicContact CD2-CE1 4.39Å; L1379-F1978 HydrophobicContact CG-CE1 4.44Å; L1379-F1978 PolarHBondContact N-O 3.25Å
1380R88.7Confident87.7Confident72 Ų7243.8 Ų43.827%0.27224%0.238SC..EExtended strand (participates in β ladder)trans-128155.7-179-68.2-175.8176.3-88.53.3111.7T1193 E1197 R1378 G1382T1193-R1380 PolarHBondContact N-O 3.26Å; T1193-R1380 PolarHBondContact O-N 2.6Å; E1197-R1380 IonicContact OE1-CZ 3.53Å; E1197-R1380 IonicContact OE1-NE 2.75Å; E1197-R1380 PolarHBondContact OE1-NE 3.14Å; E1197-R1380 IonicContact OE1-NH2 2.8Å; E1197-R1380 PolarHBondContact OE1-NH2 2.79Å; E1197-R1380 IonicContact OE2-CZ 3.8Å; E1197-R1380 IonicContact OE2-NH2 3.43Å; E1197-R1380 PolarHBondContact OE2-NH2 3.02Å; R1378-R1380 HydrophobicContact CB-CG 4.22Å; R1380-G1382 PolarHBondContact O-N 2.79Å
1381P87Confident87.6Confident44 Ų4447.6 Ų47.629%0.28626%0.262SS..EExtended strand (participates in β ladder)trans-51.7131.4161.3-21.631.7000109.9P1383 M1964 F1982P1381-P1383 VanDerWaalsContact C-CD 3.44Å; P1381-P1383 WeakPolarHBondContact O-CD 3.46Å; P1381-M1964 HydrophobicContact CG-SD 4.15Å; P1381-F1982 HydrophobicContact CG-CD1 4.13Å; P1381-F1982 HydrophobicContact CG-CE1 3.65Å; P1381-F1982 HydrophobicContact CG-CZ 4.36Å
1382G83.5Confident87.7Confident1 Ų143.9 Ų43.91%0.0125%0.247CC..  trans-124.757.9-172.100000113.7L1191 R1380 R1955L1191-G1382 WeakPolarHBondContact CB-O 3.38Å; L1191-G1382 PolarHBondContact O-N 2.85Å; R1380-G1382 PolarHBondContact O-N 2.79Å; G1382-R1955 PolarHBondContact O-NH1 3.48Å; G1382-R1955 PolarHBondContact O-NH2 3.34Å; G1382-R1955 VanDerWaalsContact O-NH2 3.17Å
1383P85.5Confident88Confident59 Ų5946.4 Ų46.438%0.38326%0.255SS..PPolyproline II helixtrans-55154.1174.726-35.3000111.6D1188 P1381 R1385 R1955D1188-P1383 HydrophobicContact CB-CB 4.02Å; D1188-P1383 WeakPolarHBondContact OD1-CA 3.11Å; D1188-P1383 WeakPolarHBondContact OD1-CB 3.17Å; P1381-P1383 VanDerWaalsContact C-CD 3.44Å; P1381-P1383 WeakPolarHBondContact O-CD 3.46Å; P1383-R1385 PolarHBondContact O-N 3.06Å; P1383-R1955 PolarHBondContact O-NH2 3.04Å
1384L86.6Confident88Confident28 Ų2844 Ų4415%0.14724%0.242CC..PPolyproline II helixtrans-71.6120-175.9-73.5176.5000112F1187 D1188 L1191 T1949 L1950 Y1953F1187-L1384 HydrophobicContact CE1-CD1 3.52Å; F1187-L1384 HydrophobicContact CE1-CG 3.96Å; F1187-L1384 HydrophobicContact CZ-CD1 3.72Å; F1187-L1384 HydrophobicContact CZ-CG 4.32Å; D1188-L1384 PolarHBondContact OD1-N 3.44Å; L1191-L1384 HydrophobicContact CD1-CD2 4.47Å; L1191-L1384 HydrophobicContact CD1-CG 3.96Å; L1384-T1949 HydrophobicContact CD1-CG2 3.9Å; L1384-L1950 HydrophobicContact CD2-CD2 4.2Å; L1384-Y1953 HydrophobicContact CB-CD1 3.98Å; L1384-Y1953 HydrophobicContact CB-CE1 3.64Å; L1384-Y1953 HydrophobicContact CD1-CD1 3.81Å; L1384-Y1953 HydrophobicContact CD1-CD2 3.69Å; L1384-Y1953 HydrophobicContact CD1-CE1 3.81Å; L1384-Y1953 HydrophobicContact CD1-CE2 3.71Å; L1384-Y1953 HydrophobicContact CD1-CG 3.74Å; L1384-Y1953 HydrophobicContact CD2-CD1 4.01Å; L1384-Y1953 HydrophobicContact CD2-CG 4.21Å; L1384-Y1953 HydrophobicContact CG-CD1 4.17Å; L1384-Y1953 HydrophobicContact CG-CE1 4.21Å; L1384-Y1953 HydrophobicContact CG-CG 4.47Å
1385R82.6Confident87.9Confident114 Ų11446.6 Ų46.643%0.4326%0.255SS..PPolyproline II helixtrans-83.6148.1-173.1-63.9178.7174.91560.4111.3E1195 P1383 A1387 E1388E1195-R1385 VanDerWaalsContact CD-NH2 3.26Å; E1195-R1385 IonicContact OE1-CZ 3.5Å; E1195-R1385 VanDerWaalsContact OE1-CZ 3.24Å; E1195-R1385 IonicContact OE1-NH1 3.19Å; E1195-R1385 PolarHBondContact OE1-NH1 2.92Å; E1195-R1385 IonicContact OE1-NH2 2.81Å; E1195-R1385 PolarHBondContact OE1-NH2 3.24Å; E1195-R1385 IonicContact OE2-NH2 3.13Å; E1195-R1385 PolarHBondContact OE2-NH2 2.99Å; P1383-R1385 PolarHBondContact O-N 3.06Å; R1385-A1387 PolarHBondContact O-N 3.17Å; R1385-A1387 VanDerWaalsContact O-N 3.1Å; R1385-E1388 HydrophobicContact CB-CG 4.18Å; R1385-E1388 PolarHBondContact N-OE2 3.36Å; R1385-E1388 WeakPolarHBondContact O-CB 3.46Å; R1385-E1388 PolarHBondContact O-N 3.39Å
1386P74.7Confident87.7Confident66 Ų6647.5 Ų47.543%0.42926%0.259SS..G310 helixtrans-54.5-33.5-178.2-30.336.5000115.1E1388 R1389P1386-E1388 VanDerWaalsContact C-N 3.25Å; P1386-E1388 PolarHBondContact O-N 3.12Å; P1386-R1389 PolarHBondContact O-N 2.95Å; P1386-R1389 PolarHBondContact O-NE 2.96Å; P1386-R1389 PolarHBondContact O-NH2 3.5Å
1387A77.6Confident87.4Confident102 Ų10256.2 Ų56.284%0.84329%0.29SS*.G310 helixtrans-72.9-10.6177.800000114.3R1385R1385-A1387 PolarHBondContact O-N 3.17Å; R1385-A1387 VanDerWaalsContact O-N 3.1Å
1388E85.9Confident87.1Confident41 Ų4162.4 Ų62.419%0.19231%0.313CS..G310 helixtrans-92.3-0.4177.2-57.2-177.910200112.4R1385 P1386 Y1953 G1954 R1955R1385-E1388 HydrophobicContact CB-CG 4.18Å; R1385-E1388 PolarHBondContact N-OE2 3.36Å; R1385-E1388 WeakPolarHBondContact O-CB 3.46Å; R1385-E1388 PolarHBondContact O-N 3.39Å; P1386-E1388 VanDerWaalsContact C-N 3.25Å; P1386-E1388 PolarHBondContact O-N 3.12Å; E1388-Y1953 HydrophobicContact CB-CD1 4.1Å; E1388-Y1953 WeakPolarHBondContact O-CD1 3.48Å; E1388-G1954 WeakPolarHBondContact O-CA 3.23Å; E1388-G1954 PolarHBondContact O-N 2.9Å; E1388-R1955 VanDerWaalsContact CD-NE 3.34Å; E1388-R1955 WeakPolarHBondContact OE1-CB 3.44Å; E1388-R1955 VanDerWaalsContact OE1-CG 3.3Å; E1388-R1955 WeakPolarHBondContact OE1-CG 3.47Å; E1388-R1955 IonicContact OE1-CZ 2.65Å; E1388-R1955 IonicContact OE1-NE 2.98Å; E1388-R1955 PolarHBondContact OE1-NE 3.26Å; E1388-R1955 IonicContact OE1-NH2 3.47Å; E1388-R1955 IonicContact OE2-CZ 3.3Å; E1388-R1955 IonicContact OE2-NE 2.79Å; E1388-R1955 PolarHBondContact OE2-NE 2.67Å; E1388-R1955 IonicContact OE2-NH2 3.53Å; E1388-R1955 PolarHBondContact OE2-NH2 3.4Å
1389R88.2Confident87.1Confident29 Ų2963.5 Ų63.511%0.10932%0.32CS..SBendtrans-76147.6171-68.2173.1-63.6155.811.2109.8P1386 E1415 V1732 P1735 Y1953P1386-R1389 PolarHBondContact O-N 2.95Å; P1386-R1389 PolarHBondContact O-NE 2.96Å; P1386-R1389 PolarHBondContact O-NH2 3.5Å; R1389-E1415 IonicContact CZ-OE1 2.81Å; R1389-E1415 IonicContact CZ-OE2 3.81Å; R1389-E1415 IonicContact NH1-OE1 3.6Å; R1389-E1415 PolarHBondContact NH1-OE1 2.83Å; R1389-E1415 IonicContact NH1-OE2 3.53Å; R1389-E1415 PolarHBondContact NH1-OE2 3.05Å; R1389-E1415 IonicContact NH2-OE1 2.69Å; R1389-E1415 PolarHBondContact NH2-OE1 2.87Å; R1389-E1415 IonicContact NH2-OE2 3.59Å; R1389-E1415 PolarHBondContact NH2-OE2 2.96Å; R1389-V1732 HydrophobicContact CB-CG1 3.92Å; R1389-P1735 HydrophobicContact CG-CG 4.14Å; R1389-Y1953 HydrophobicContact CG-CD1 3.89Å; R1389-Y1953 HydrophobicContact CG-CE1 3.34Å
1390R86.6Confident87Confident88 Ų8863.8 Ų63.833%0.33232%0.323SS..  trans-66.9142.8177.3-61-175-170.2-143.53.2109.7V1733 V1738 L1951 R1952R1390-V1733 PolarHBondContact O-N 3.38Å; R1390-V1738 HydrophobicContact CB-CG2 4.36Å; R1390-V1738 HydrophobicContact CG-CG2 4.45Å; R1390-L1951 PolarHBondContact NH2-O 3.08Å; R1390-R1952 WeakPolarHBondContact CG-O 3.39Å; R1390-R1952 PolarHBondContact NE-O 2.97Å; R1390-R1952 VanDerWaalsContact NE-O 3.07Å
1391T89Confident87.3Confident85 Ų8560.6 Ų60.652%0.52131%0.312SS..EExtended strand (participates in β ladder)trans-114.3160.817154.20000110.4V1730 A1731 V1732T1391-V1730 HydrophobicContact CG2-CG1 3.92Å; T1391-A1731 CarbonylContact C-O 3.5Å; T1391-A1731 WeakPolarHBondContact CA-O 3.41Å; T1391-A1731 WeakPolarHBondContact CB-O 3.48Å; T1391-V1732 HydrophobicContact CG2-CG2 4.15Å
1392A86.9Confident87.6Confident34 Ų3462 Ų6228%0.28131%0.311SS..EExtended strand (participates in β ladder)trans-129.9148.6172.700000110.1T1418 V1730 A1731 V1733A1392-T1418 HydrophobicContact CB-CG2 4.08Å; A1392-V1730 WeakPolarHBondContact O-CA 3.46Å; A1392-A1731 PolarHBondContact N-O 3.24Å; A1392-A1731 PolarHBondContact O-N 3.28Å; A1392-V1733 HydrophobicContact CB-CG2 3.8Å
1393V90.5Very high88.1Confident90 Ų9062.6 Ų62.655%0.54531%0.314SS..EExtended strand (participates in β ladder)trans-78.9120.9164.9-177.70000107.7E1728 G1729V1393-E1728 HydrophobicContact CG1-CB 3.86Å; V1393-E1728 HydrophobicContact CG1-CG 4.15Å; V1393-G1729 CarbonylContact C-O 3.58Å; V1393-G1729 WeakPolarHBondContact CA-O 3.49Å
1394V90.1Very high88.3Confident3 Ų362.2 Ų62.22%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-102.9117.7-179.6174.10000107.8Y1396 D1399 M1401 T1418 E1728 G1729 A1731V1394-Y1396 HydrophobicContact CG1-CD1 4.27Å; V1394-Y1396 PolarHBondContact O-N 3.25Å; V1394-D1399 HydrophobicContact CB-CB 4.39Å; V1394-D1399 HydrophobicContact CG1-CB 3.64Å; V1394-M1401 HydrophobicContact CB-CB 4.47Å; V1394-M1401 HydrophobicContact CG1-CB 3.64Å; V1394-M1401 HydrophobicContact CG2-CB 4.33Å; V1394-T1418 HydrophobicContact CG2-CG2 3.99Å; V1394-E1728 CarbonylContact O-C 3.59Å; V1394-E1728 VanDerWaalsContact O-CA 3.25Å; V1394-E1728 WeakPolarHBondContact O-CA 3.37Å; V1394-G1729 PolarHBondContact N-O 2.9Å; V1394-G1729 PolarHBondContact O-N 2.93Å; V1394-A1731 HydrophobicContact CG2-CB 3.71Å
1395E91.7Very high88.2Confident67 Ų6762.2 Ų62.231%0.31331%0.307SS..EExtended strand (participates in β ladder)trans-82.3105.5169.5-172.5-177.2-172.100108.2R1397 R1398 D1399 E1728E1395-R1397 PolarHBondContact O-N 2.86Å; E1395-R1398 PolarHBondContact O-N 2.92Å; E1395-R1398 IonicContact OE2-CZ 2.7Å; E1395-R1398 IonicContact OE2-NE 2.66Å; E1395-R1398 IonicContact OE2-NH1 2.99Å; E1395-R1398 PolarHBondContact OE2-NH1 3.29Å; E1395-R1398 IonicContact OE2-NH2 2.74Å; E1395-D1399 PolarHBondContact N-OD2 2.95Å; E1395-D1399 PolarHBondContact O-N 2.56Å; E1395-E1728 HydrophobicContact CB-CG 4.4Å; E1395-E1728 HydrophobicContact CG-CG 4.48Å
1396Y90.8Very high88.1Confident50 Ų5061 Ų6120%0.19630%0.302CS..THydrogen-bonded Turntrans-58-22.3-166.4-56.2-56.7000114.6V1394 R1398 M1401 T1495 P1724 G1727 E1728 G1729V1394-Y1396 HydrophobicContact CG1-CD1 4.27Å; V1394-Y1396 PolarHBondContact O-N 3.25Å; Y1396-R1398 VanDerWaalsContact C-N 3.34Å; Y1396-M1401 HydrophobicContact CD1-CE 3.8Å; Y1396-M1401 HydrophobicContact CE1-CE 3.62Å; Y1396-T1495 HydrophobicContact CD1-CG2 4.05Å; Y1396-T1495 HydrophobicContact CG-CG2 4.5Å; Y1396-P1724 WeakPolarHBondContact CB-O 3.2Å; Y1396-P1724 HydrophobicContact CD1-CG 4.03Å; Y1396-P1724 HydrophobicContact CD2-CB 3.72Å; Y1396-P1724 HydrophobicContact CD2-CG 3.94Å; Y1396-P1724 HydrophobicContact CE1-CG 3.97Å; Y1396-P1724 HydrophobicContact CE2-CB 3.83Å; Y1396-P1724 HydrophobicContact CE2-CG 3.89Å; Y1396-P1724 HydrophobicContact CG-CB 4.16Å; Y1396-P1724 HydrophobicContact CG-CG 4.01Å; Y1396-G1727 VanDerWaalsContact CD2-C 3.41Å; Y1396-G1727 WeakPolarHBondContact CD2-O 3.46Å; Y1396-G1727 PolarHBondContact N-O 2.84Å; Y1396-E1728 VanDerWaalsContact CE2-C 3.44Å; Y1396-E1728 VanDerWaalsContact CE2-O 3.3Å; Y1396-E1728 WeakPolarHBondContact CE2-O 3.4Å; Y1396-E1728 PolarHBondContact OH-O 3.16Å; Y1396-G1729 WeakPolarHBondContact OH-CA 3.46Å
1397R89.2Confident87.9Confident192 Ų19261.2 Ų61.273%0.72530%0.303SS*.THydrogen-bonded Turntrans-77.3-16.5177.5-173.3172.1-178.1160.94.5113.7E1395E1395-R1397 PolarHBondContact O-N 2.86Å
1398R88.9Confident87.6Confident131 Ų13160.2 Ų60.249%0.49429%0.288SS..THydrogen-bonded Turntrans-125-40.6-173.2-173.5-172.267.6-133.1-12.1112.6E1395 Y1396 R1421E1395-R1398 PolarHBondContact O-N 2.92Å; E1395-R1398 IonicContact OE2-CZ 2.7Å; E1395-R1398 IonicContact OE2-NE 2.66Å; E1395-R1398 IonicContact OE2-NH1 2.99Å; E1395-R1398 PolarHBondContact OE2-NH1 3.29Å; E1395-R1398 IonicContact OE2-NH2 2.74Å; Y1396-R1398 VanDerWaalsContact C-N 3.34Å; R1398-R1421 VanDerWaalsContact O-CD 3.24Å; R1398-R1421 WeakPolarHBondContact O-CD 3.24Å; R1398-R1421 PolarHBondContact O-NH1 3.26Å
1399D91.8Very high86.7Confident38 Ų3860 Ų6020%0.20330%0.297CS..SBendtrans-102.2147.5-163.1-58.4-32000112.7V1394 E1395 M1401 T1495V1394-D1399 HydrophobicContact CB-CB 4.39Å; V1394-D1399 HydrophobicContact CG1-CB 3.64Å; E1395-D1399 PolarHBondContact N-OD2 2.95Å; E1395-D1399 PolarHBondContact O-N 2.56Å; D1399-M1401 PolarHBondContact O-N 3.37Å; D1399-T1495 PolarHBondContact O-OG1 3.47Å
1400G91.5Very high86Confident6 Ų661.7 Ų61.76%0.06231%0.308CS..  trans-78.6112.3177.800000111.3T1418 F1419G1400-T1418 WeakPolarHBondContact O-CA 3.37Å; G1400-F1419 VanDerWaalsContact C-CD1 3.5Å; G1400-F1419 VanDerWaalsContact C-CE1 3.45Å; G1400-F1419 PolarHBondContact O-N 3.2Å
1401M93.9Very high85.6Confident5 Ų558.3 Ų58.33%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-126.5138.8168.7165.8-78.7-79.500109.3V1394 Y1396 D1399 F1416 V1417 S1494 T1495 P1724 A1731V1394-M1401 HydrophobicContact CB-CB 4.47Å; V1394-M1401 HydrophobicContact CG1-CB 3.64Å; V1394-M1401 HydrophobicContact CG2-CB 4.33Å; Y1396-M1401 HydrophobicContact CD1-CE 3.8Å; Y1396-M1401 HydrophobicContact CE1-CE 3.62Å; D1399-M1401 PolarHBondContact O-N 3.37Å; M1401-F1416 HydrophobicContact CE-CD1 4.21Å; M1401-F1416 HydrophobicContact CE-CE1 4.21Å; M1401-F1416 HydrophobicContact CG-CB 4.2Å; M1401-F1416 HydrophobicContact CG-CD1 4.03Å; M1401-F1416 HydrophobicContact CG-CG 4.42Å; M1401-F1416 HydrophobicContact SD-CD1 3.29Å; M1401-F1416 WeakPolarHBondContact SD-CD1 3.31Å; M1401-F1416 HydrophobicContact SD-CE1 3.7Å; M1401-F1416 HydrophobicContact SD-CG 4.18Å; M1401-V1417 WeakPolarHBondContact CA-O 3.35Å; M1401-S1494 CarbonylContact O-C 3.52Å; M1401-S1494 VanDerWaalsContact O-CA 3.23Å; M1401-S1494 WeakPolarHBondContact O-CA 3.36Å; M1401-S1494 WeakPolarHBondContact O-CB 3.38Å; M1401-T1495 HydrophobicContact CE-CG2 3.77Å; M1401-T1495 PolarHBondContact N-OG1 2.94Å; M1401-T1495 VanDerWaalsContact N-OG1 3.09Å; M1401-T1495 PolarHBondContact O-N 3.02Å; M1401-T1495 PolarHBondContact O-OG1 3.44Å; M1401-P1724 HydrophobicContact CE-CG 4.48Å; M1401-A1731 HydrophobicContact CG-CB 4.27Å
1402R93.3Very high85Confident73 Ų7361.9 Ų61.928%0.27531%0.307SS..EExtended strand (participates in β ladder)trans-139155.4174.467.5-177.3179.7165.51.3111.1F1416 V1417 F1419 W1493R1402-F1416 WeakPolarHBondContact O-CA 3.46Å; R1402-V1417 HydrophobicContact CG-CG2 3.75Å; R1402-V1417 PolarHBondContact N-O 3.19Å; R1402-V1417 PolarHBondContact O-N 3Å; R1402-F1419 HydrophobicContact CB-CD1 4.01Å; R1402-F1419 HydrophobicContact CB-CE1 4.05Å; R1402-F1419 HydrophobicContact CG-CD1 3.88Å; R1402-F1419 HydrophobicContact CG-CE1 4.42Å; R1402-W1493 WeakPolarHBondContact CA-O 3.31Å
1403L94Very high84.8Confident14 Ų1460.3 Ų60.37%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-87.3132.1172.7-166.359.1000109.5L1414 F1416 W1493 I1700 A1703L1403-L1414 HydrophobicContact CD1-CD2 3.38Å; L1403-L1414 HydrophobicContact CD2-CD2 3.87Å; L1403-L1414 HydrophobicContact CG-CD2 3.65Å; L1403-F1416 HydrophobicContact CB-CD1 4.24Å; L1403-F1416 HydrophobicContact CB-CE1 4.15Å; L1403-F1416 HydrophobicContact CD1-CD1 3.79Å; L1403-F1416 HydrophobicContact CD1-CE1 3.73Å; L1403-F1416 HydrophobicContact CD1-CG 4.25Å; L1403-F1416 HydrophobicContact CD1-CZ 4.11Å; L1403-F1416 HydrophobicContact CG-CE1 4.39Å; L1403-W1493 HydrophobicContact CB-CB 4.03Å; L1403-W1493 HydrophobicContact CD2-CB 4.44Å; L1403-W1493 HydrophobicContact CD2-CD2 4.49Å; L1403-W1493 HydrophobicContact CD2-CE3 3.7Å; L1403-W1493 HydrophobicContact CD2-CZ3 4.43Å; L1403-W1493 HydrophobicContact CG-CE3 4.46Å; L1403-W1493 PolarHBondContact N-O 2.89Å; L1403-I1700 HydrophobicContact CD2-CG1 4.13Å; L1403-A1703 HydrophobicContact CD2-CB 3.27Å
1404Q90.4Very high84.7Confident51 Ų5157.3 Ų57.324%0.23827%0.274CS..EExtended strand (participates in β ladder)trans-135.3168.8174.272.3172.130.700110.8L1414 E1415 V1417Q1404-L1414 CarbonylContact O-C 3.59Å; Q1404-L1414 WeakPolarHBondContact O-CA 3.33Å; Q1404-E1415 HydrophobicContact CG-CG 4.2Å; Q1404-E1415 PolarHBondContact N-O 3Å; Q1404-E1415 PolarHBondContact O-N 3.27Å; Q1404-V1417 HydrophobicContact CB-CG2 4.42Å; Q1404-V1417 HydrophobicContact CG-CG1 3.88Å; Q1404-V1417 HydrophobicContact CG-CG2 3.87Å
1405I83.8Confident84.8Confident27 Ų2758.3 Ų58.314%0.13828%0.279CS..EExtended strand (participates in β ladder)trans-112.2127.3166.3-165.5157.2000108.6P1408 D1410 L1411 S1413 L1414 A1446I1405-P1408 HydrophobicContact CG2-CG 4.28Å; I1405-D1410 WeakPolarHBondContact CD1-O 3.39Å; I1405-L1411 HydrophobicContact CD1-CD2 4.19Å; I1405-S1413 WeakPolarHBondContact CG1-OG 3.3Å; I1405-L1414 HydrophobicContact CB-CD1 3.89Å; I1405-L1414 HydrophobicContact CD1-CD1 4.1Å; I1405-L1414 HydrophobicContact CG1-CD1 4.22Å; I1405-A1446 HydrophobicContact CD1-CB 4.3Å; I1405-A1446 WeakPolarHBondContact CD1-O 3.48Å
1406R81.4Confident84.9Confident88 Ų8857.5 Ų57.533%0.33228%0.275SS..SBendtrans-80.1-34.7-177.4167.4-175.670.4-1031.5112.3S1413 E1415R1406-S1413 PolarHBondContact N-O 2.84Å; R1406-S1413 PolarHBondContact N-OG 2.85Å; R1406-S1413 PolarHBondContact NH1-O 3.15Å; R1406-E1415 WeakPolarHBondContact CB-OE1 3.32Å; R1406-E1415 IonicContact CZ-OE1 2.78Å; R1406-E1415 IonicContact NH1-OE1 3.1Å; R1406-E1415 PolarHBondContact NH1-OE1 3.33Å; R1406-E1415 IonicContact NH1-OE2 3.99Å; R1406-E1415 PolarHBondContact NH1-OE2 2.91Å
1407T70.8Confident85Confident72 Ų7255.2 Ų55.244%0.44227%0.266SS..SBendtrans-130.495.6178.8-52.60000107.2G1409 D1410 S1413T1407-G1409 PolarHBondContact O-N 3.09Å; T1407-D1410 HydrophobicContact CG2-CB 4.34Å; T1407-D1410 WeakPolarHBondContact O-CB 3.49Å; T1407-D1410 PolarHBondContact O-N 2.71Å; T1407-S1413 PolarHBondContact N-OG 3.02Å; T1407-S1413 PolarHBondContact O-OG 2.89Å
1408P70.4Confident85.2Confident81 Ų8147 Ų4753%0.52624%0.237SC..THydrogen-bonded Turntrans-51.6136.8177-2634.6000111.4I1405I1405-P1408 HydrophobicContact CG2-CG 4.28Å
1409G66.7Low85.2Confident37 Ų3742.9 Ų42.938%0.38122%0.223SC..THydrogen-bonded Turntrans98.9-43.6-166.900000113.1T1407 L1411 A1446T1407-G1409 PolarHBondContact O-N 3.09Å; G1409-L1411 PolarHBondContact O-N 2.84Å; G1409-A1446 PolarHBondContact N-O 3.17Å
1410D75.3Confident84.9Confident64 Ų6446.5 Ų46.534%0.34224%0.242SC..  trans-88.3102.5-179.8174.915.6000111.8I1405 T1407 E1412 S1413I1405-D1410 WeakPolarHBondContact CD1-O 3.39Å; T1407-D1410 HydrophobicContact CG2-CB 4.34Å; T1407-D1410 WeakPolarHBondContact O-CB 3.49Å; T1407-D1410 PolarHBondContact O-N 2.71Å; D1410-E1412 PolarHBondContact O-N 2.83Å; D1410-E1412 WeakPolarHBondContact OD1-CA 3.49Å; D1410-E1412 WeakPolarHBondContact OD1-CB 3.27Å; D1410-E1412 PolarHBondContact OD1-N 2.85Å; D1410-S1413 WeakPolarHBondContact O-CB 3.24Å; D1410-S1413 PolarHBondContact O-N 3.04Å; D1410-S1413 PolarHBondContact O-OG 2.9Å; D1410-S1413 PolarHBondContact OD1-N 3.01Å; D1410-S1413 WeakPolarHBondContact OD2-CB 3.48Å; D1410-S1413 PolarHBondContact OD2-N 2.83Å
1411L76.9Confident84.8Confident16 Ų1650.8 Ų50.88%0.08426%0.256CS..THydrogen-bonded Turntrans-71.9-5.4175.2-67.6-178.2000114.7I1405 G1409 L1414 A1446 F1447 I1707 R1708I1405-L1411 HydrophobicContact CD1-CD2 4.19Å; G1409-L1411 PolarHBondContact O-N 2.84Å; L1411-L1414 WeakPolarHBondContact O-CB 3.34Å; L1411-A1446 HydrophobicContact CD2-CB 3.82Å; L1411-F1447 HydrophobicContact CD1-CE1 4.04Å; L1411-F1447 HydrophobicContact CD1-CE2 4.39Å; L1411-F1447 HydrophobicContact CD1-CZ 3.64Å; L1411-F1447 HydrophobicContact CG-CE1 4.15Å; L1411-F1447 HydrophobicContact CG-CZ 4.21Å; L1411-I1707 HydrophobicContact CD1-CG2 4.11Å; L1411-I1707 HydrophobicContact CD2-CD1 4.17Å; L1411-I1707 HydrophobicContact CD2-CG2 3.99Å; L1411-R1708 HydrophobicContact CD1-CG 3.73Å
1412E77.3Confident84.5Confident161 Ų16154.5 Ų54.575%0.75228%0.279SS*.THydrogen-bonded Turntrans-91-12.4167.7-51.3-163.3164.800111.7D1410 L1414D1410-E1412 PolarHBondContact O-N 2.83Å; D1410-E1412 WeakPolarHBondContact OD1-CA 3.49Å; D1410-E1412 WeakPolarHBondContact OD1-CB 3.27Å; D1410-E1412 PolarHBondContact OD1-N 2.85Å; E1412-L1414 PolarHBondContact O-N 2.9Å
1413S82.8Confident84.2Confident0 Ų054.9 Ų54.90%030%0.297CS..SBendtrans-81.2-1.1166.487.10000114.4I1405 R1406 T1407 D1410 E1415I1405-S1413 WeakPolarHBondContact CG1-OG 3.3Å; R1406-S1413 PolarHBondContact N-O 2.84Å; R1406-S1413 PolarHBondContact N-OG 2.85Å; R1406-S1413 PolarHBondContact NH1-O 3.15Å; T1407-S1413 PolarHBondContact N-OG 3.02Å; T1407-S1413 PolarHBondContact O-OG 2.89Å; D1410-S1413 WeakPolarHBondContact O-CB 3.24Å; D1410-S1413 PolarHBondContact O-N 3.04Å; D1410-S1413 PolarHBondContact O-OG 2.9Å; D1410-S1413 PolarHBondContact OD1-N 3.01Å; D1410-S1413 WeakPolarHBondContact OD2-CB 3.48Å; D1410-S1413 PolarHBondContact OD2-N 2.83Å; S1413-E1415 PolarHBondContact O-N 3.48Å
1414L88.4Confident84.1Confident27 Ų2754.9 Ų54.914%0.14130%0.298CS..EExtended strand (participates in β ladder)trans-74.4110.9-179.7-161.762.8000109.3L1403 Q1404 I1405 L1411 E1412 L1460 A1704 I1707L1403-L1414 HydrophobicContact CD1-CD2 3.38Å; L1403-L1414 HydrophobicContact CD2-CD2 3.87Å; L1403-L1414 HydrophobicContact CG-CD2 3.65Å; Q1404-L1414 CarbonylContact O-C 3.59Å; Q1404-L1414 WeakPolarHBondContact O-CA 3.33Å; I1405-L1414 HydrophobicContact CB-CD1 3.89Å; I1405-L1414 HydrophobicContact CD1-CD1 4.1Å; I1405-L1414 HydrophobicContact CG1-CD1 4.22Å; L1411-L1414 WeakPolarHBondContact O-CB 3.34Å; E1412-L1414 PolarHBondContact O-N 2.9Å; L1414-L1460 HydrophobicContact CD1-CD1 4.04Å; L1414-A1704 HydrophobicContact CG-CB 4.46Å; L1414-I1707 HydrophobicContact CD1-CD1 4.13Å; L1414-I1707 HydrophobicContact CG-CD1 4.39Å
1415E90.9Very high84.1Confident24 Ų2453.5 Ų53.511%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-145.8154.5-16669.6-177145.300115.2R1389 Q1404 R1406 S1413 V1417R1389-E1415 IonicContact CZ-OE1 2.81Å; R1389-E1415 IonicContact CZ-OE2 3.81Å; R1389-E1415 IonicContact NH1-OE1 3.6Å; R1389-E1415 PolarHBondContact NH1-OE1 2.83Å; R1389-E1415 IonicContact NH1-OE2 3.53Å; R1389-E1415 PolarHBondContact NH1-OE2 3.05Å; R1389-E1415 IonicContact NH2-OE1 2.69Å; R1389-E1415 PolarHBondContact NH2-OE1 2.87Å; R1389-E1415 IonicContact NH2-OE2 3.59Å; R1389-E1415 PolarHBondContact NH2-OE2 2.96Å; Q1404-E1415 HydrophobicContact CG-CG 4.2Å; Q1404-E1415 PolarHBondContact N-O 3Å; Q1404-E1415 PolarHBondContact O-N 3.27Å; R1406-E1415 WeakPolarHBondContact CB-OE1 3.32Å; R1406-E1415 IonicContact CZ-OE1 2.78Å; R1406-E1415 IonicContact NH1-OE1 3.1Å; R1406-E1415 PolarHBondContact NH1-OE1 3.33Å; R1406-E1415 IonicContact NH1-OE2 3.99Å; R1406-E1415 PolarHBondContact NH1-OE2 2.91Å; S1413-E1415 PolarHBondContact O-N 3.48Å; E1415-V1417 HydrophobicContact CG-CG1 4.28Å
1416F93.7Very high84.5Confident51 Ų5157 Ų5722%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-81.7128.1171.8-68.3-64.6000111.7M1401 R1402 L1403 I1700 H1701 A1731 V1732M1401-F1416 HydrophobicContact CE-CD1 4.21Å; M1401-F1416 HydrophobicContact CE-CE1 4.21Å; M1401-F1416 HydrophobicContact CG-CB 4.2Å; M1401-F1416 HydrophobicContact CG-CD1 4.03Å; M1401-F1416 HydrophobicContact CG-CG 4.42Å; M1401-F1416 HydrophobicContact SD-CD1 3.29Å; M1401-F1416 WeakPolarHBondContact SD-CD1 3.31Å; M1401-F1416 HydrophobicContact SD-CE1 3.7Å; M1401-F1416 HydrophobicContact SD-CG 4.18Å; R1402-F1416 WeakPolarHBondContact O-CA 3.46Å; L1403-F1416 HydrophobicContact CB-CD1 4.24Å; L1403-F1416 HydrophobicContact CB-CE1 4.15Å; L1403-F1416 HydrophobicContact CD1-CD1 3.79Å; L1403-F1416 HydrophobicContact CD1-CE1 3.73Å; L1403-F1416 HydrophobicContact CD1-CG 4.25Å; L1403-F1416 HydrophobicContact CD1-CZ 4.11Å; L1403-F1416 HydrophobicContact CG-CE1 4.39Å; F1416-I1700 HydrophobicContact CE1-CD1 4.17Å; F1416-I1700 HydrophobicContact CE1-CG1 3.97Å; F1416-I1700 HydrophobicContact CE1-CG2 4.19Å; F1416-I1700 HydrophobicContact CZ-CG1 4.2Å; F1416-I1700 HydrophobicContact CZ-CG2 4.01Å; F1416-H1701 HydrophobicContact CE2-CB 3.99Å; F1416-H1701 HydrophobicContact CZ-CB 4.22Å; F1416-A1731 HydrophobicContact CB-CB 4.15Å; F1416-V1732 PolarHBondContact O-N 2.86Å
1417V93.2Very high84.9Confident1 Ų154.3 Ų54.31%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-122.5153173.6-65.40000113.3M1401 R1402 Q1404 E1415 V1732 P1734M1401-V1417 WeakPolarHBondContact CA-O 3.35Å; R1402-V1417 HydrophobicContact CG-CG2 3.75Å; R1402-V1417 PolarHBondContact N-O 3.19Å; R1402-V1417 PolarHBondContact O-N 3Å; Q1404-V1417 HydrophobicContact CB-CG2 4.42Å; Q1404-V1417 HydrophobicContact CG-CG1 3.88Å; Q1404-V1417 HydrophobicContact CG-CG2 3.87Å; E1415-V1417 HydrophobicContact CG-CG1 4.28Å; V1417-V1732 CarbonylContact C-O 3.47Å; V1417-V1732 WeakPolarHBondContact CA-O 3.44Å; V1417-V1732 HydrophobicContact CG1-CB 4.28Å; V1417-P1734 HydrophobicContact CB-CG 3.96Å; V1417-P1734 HydrophobicContact CG1-CG 4.11Å
1418T92.9Very high86Confident20 Ų2052.9 Ų52.912%0.12331%0.31CS..EExtended strand (participates in β ladder)trans-72.5150.6167.9600000112.1A1392 V1394 G1400 A1731 V1732 V1733 Q1737A1392-T1418 HydrophobicContact CB-CG2 4.08Å; V1394-T1418 HydrophobicContact CG2-CG2 3.99Å; G1400-T1418 WeakPolarHBondContact O-CA 3.37Å; T1418-A1731 HydrophobicContact CG2-CB 4.12Å; T1418-V1732 PolarHBondContact N-O 3.45Å; T1418-V1733 HydrophobicContact CG2-CG2 4.15Å; T1418-Q1737 PolarHBondContact O-NE2 2.97Å; T1418-Q1737 PolarHBondContact O-OE1 2.99Å; T1418-Q1737 PolarHBondContact OG1-OE1 2.89Å; T1418-Q1737 VanDerWaalsContact OG1-OE1 3.08Å
1419F89.8Confident87.3Confident45 Ų4549 Ų4920%0.19729%0.285CS..  trans-144.6147163.572.3-89000111.3G1400 R1402 R1421 F1496G1400-F1419 VanDerWaalsContact C-CD1 3.5Å; G1400-F1419 VanDerWaalsContact C-CE1 3.45Å; G1400-F1419 PolarHBondContact O-N 3.2Å; R1402-F1419 HydrophobicContact CB-CD1 4.01Å; R1402-F1419 HydrophobicContact CB-CE1 4.05Å; R1402-F1419 HydrophobicContact CG-CD1 3.88Å; R1402-F1419 HydrophobicContact CG-CE1 4.42Å; F1419-R1421 HydrophobicContact CE2-CG 4.16Å; F1419-R1421 PolarHBondContact O-N 3.05Å; F1419-F1496 HydrophobicContact CZ-CB 4.36Å; F1419-F1496 VanDerWaalsContact CZ-O 3.3Å; F1419-F1496 WeakPolarHBondContact CZ-O 3.34Å
1420D86.7Confident88.7Confident113 Ų11347.7 Ų47.760%0.60427%0.269SS*.  trans-68.7121.9175.1-79.8-28.3000110.2V1422 R1739D1420-V1422 PolarHBondContact O-N 3.27Å; D1420-V1422 VanDerWaalsContact O-N 3.15Å; D1420-R1739 IonicContact OD2-NH2 3.5Å
1421R89.3Confident89.7Confident97 Ų9744.7 Ų44.737%0.36625%0.253SS..  trans-71.1106.8173.5-75.3178.563.8-157.2-1.1110.3R1398 F1419 E1430 F1496R1398-R1421 VanDerWaalsContact O-CD 3.24Å; R1398-R1421 WeakPolarHBondContact O-CD 3.24Å; R1398-R1421 PolarHBondContact O-NH1 3.26Å; F1419-R1421 HydrophobicContact CE2-CG 4.16Å; F1419-R1421 PolarHBondContact O-N 3.05Å; R1421-E1430 IonicContact CZ-OE1 3.1Å; R1421-E1430 IonicContact CZ-OE2 3.58Å; R1421-E1430 IonicContact NE-OE2 3.95Å; R1421-E1430 PolarHBondContact NE-OE2 3.38Å; R1421-E1430 IonicContact NH2-OE1 3.16Å; R1421-E1430 PolarHBondContact NH2-OE1 2.98Å; R1421-E1430 IonicContact NH2-OE2 3.74Å; R1421-E1430 PolarHBondContact NH2-OE2 2.96Å; R1421-F1496 HydrophobicContact CG-CD2 4.41Å
1422V85.8Confident90.6Very high83 Ų8344.2 Ų44.250%0.50325%0.252SS..PPolyproline II helixtrans-90138.9173.6-174.50000109.5D1420 R1498D1420-V1422 PolarHBondContact O-N 3.27Å; D1420-V1422 VanDerWaalsContact O-N 3.15Å; V1422-R1498 WeakPolarHBondContact O-CD 3.18Å
1423A87.1Confident91.4Very high80 Ų8036.6 Ų36.666%0.66122%0.216SC*.PPolyproline II helixtrans-63.4145175.500000111.7
1424P92.3Very high92Very high14 Ų1438.4 Ų38.49%0.09123%0.227CC..PPolyproline II helixtrans-64.3136.1179.324.9-33000112.7E1428 E1430 A1470P1424-E1428 WeakPolarHBondContact CA-OE2 3.46Å; P1424-E1428 HydrophobicContact CB-CB 3.64Å; P1424-E1430 HydrophobicContact CG-CB 4.42Å; P1424-A1470 HydrophobicContact CG-CB 3.83Å
1425G91.4Very high92.3Very high23 Ų2337.1 Ų37.124%0.23722%0.22CC..  trans-77.7-179.8173.600000113.6G1427 E1428 G1472G1425-G1427 PolarHBondContact O-N 2.78Å; G1425-E1428 PolarHBondContact N-OE2 3.49Å; G1425-E1428 WeakPolarHBondContact O-CB 3.49Å; G1425-E1428 PolarHBondContact O-N 2.95Å; G1425-G1472 WeakPolarHBondContact O-CA 3.37Å
1426P90.7Very high92.5Very high101 Ų10136 Ų3666%0.65622%0.215SC*.THydrogen-bonded Turntrans-56.2129.2178.1-23.533.8000111.6E1428 P1473P1426-E1428 VanDerWaalsContact C-N 3.26Å; P1426-E1428 PolarHBondContact O-N 3.2Å; P1426-P1473 WeakPolarHBondContact CA-O 3.43Å; P1426-P1473 HydrophobicContact CB-CB 4.14Å; P1426-P1473 HydrophobicContact CG-CB 4.15Å; P1426-P1473 HydrophobicContact CG-CG 4.17Å
1427G90.7Very high92.5Very high30 Ų3033.6 Ų33.631%0.30920%0.204SC..THydrogen-bonded Turntrans77.8-4.9-175.100000116G1425 P1473 V1475 A1501G1425-G1427 PolarHBondContact O-N 2.78Å; G1427-P1473 PolarHBondContact N-O 2.86Å; G1427-V1475 VanDerWaalsContact CA-CG2 3.5Å; G1427-A1501 WeakPolarHBondContact O-CB 3.35Å; G1427-A1501 PolarHBondContact O-N 3.38Å
1428E94.9Very high92.4Very high43 Ų4333.8 Ų33.820%0.20121%0.206CC..EExtended strand (participates in β ladder)trans-93.3156.5175.1-62.5-170.2137.100112.7P1424 G1425 P1426 G1472 R1498 C1499P1424-E1428 WeakPolarHBondContact CA-OE2 3.46Å; P1424-E1428 HydrophobicContact CB-CB 3.64Å; G1425-E1428 PolarHBondContact N-OE2 3.49Å; G1425-E1428 WeakPolarHBondContact O-CB 3.49Å; G1425-E1428 PolarHBondContact O-N 2.95Å; P1426-E1428 VanDerWaalsContact C-N 3.26Å; P1426-E1428 PolarHBondContact O-N 3.2Å; E1428-G1472 WeakPolarHBondContact O-CA 3.49Å; E1428-G1472 PolarHBondContact O-N 3.42Å; E1428-R1498 IonicContact OE1-NH1 3.48Å; E1428-R1498 PolarHBondContact OE1-NH1 3.09Å; E1428-R1498 WeakPolarHBondContact OE2-CD 3.22Å; E1428-R1498 IonicContact OE2-CZ 2.76Å; E1428-R1498 IonicContact OE2-NH1 3.58Å; E1428-R1498 PolarHBondContact OE2-NH1 3.33Å; E1428-C1499 CarbonylContact C-O 3.58Å; E1428-C1499 WeakPolarHBondContact CA-O 3.4Å
1429I96.3Very high92.2Very high0 Ų033.5 Ų33.50%020%0.204CC..EExtended strand (participates in β ladder)trans-125153.6160.658.7175.9000110.2V1431 V1468 V1471 V1475 H1478 R1498 C1499 A1501 A1504I1429-V1431 HydrophobicContact CD1-CG2 3.73Å; I1429-V1431 HydrophobicContact CG1-CG2 4.01Å; I1429-V1468 HydrophobicContact CB-CG1 4.39Å; I1429-V1468 HydrophobicContact CD1-CG2 4.15Å; I1429-V1471 HydrophobicContact CG2-CG1 4.34Å; I1429-V1471 HydrophobicContact CG2-CG2 4.28Å; I1429-V1475 HydrophobicContact CG2-CG1 3.91Å; I1429-H1478 HydrophobicContact CG2-CB 4.45Å; I1429-R1498 WeakPolarHBondContact O-CA 3.45Å; I1429-C1499 VanDerWaalsContact CG1-SG 3.53Å; I1429-C1499 PolarHBondContact N-O 2.84Å; I1429-C1499 PolarHBondContact O-N 2.89Å; I1429-A1501 HydrophobicContact CG2-CB 4.09Å; I1429-A1504 HydrophobicContact CD1-CB 3.63Å
1430E96.3Very high91.9Very high9 Ų937.2 Ų37.24%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-98.4128.5163.5-169.5-16052.900108.8R1421 P1424 T1469 A1470 F1496 V1497R1421-E1430 IonicContact CZ-OE1 3.1Å; R1421-E1430 IonicContact CZ-OE2 3.58Å; R1421-E1430 IonicContact NE-OE2 3.95Å; R1421-E1430 PolarHBondContact NE-OE2 3.38Å; R1421-E1430 IonicContact NH2-OE1 3.16Å; R1421-E1430 PolarHBondContact NH2-OE1 2.98Å; R1421-E1430 IonicContact NH2-OE2 3.74Å; R1421-E1430 PolarHBondContact NH2-OE2 2.96Å; P1424-E1430 HydrophobicContact CG-CB 4.42Å; E1430-T1469 PolarHBondContact O-N 3.05Å; E1430-T1469 PolarHBondContact O-OG1 3.02Å; E1430-T1469 WeakPolarHBondContact OE1-CB 3.28Å; E1430-T1469 PolarHBondContact OE1-OG1 3.32Å; E1430-A1470 HydrophobicContact CB-CB 3.92Å; E1430-A1470 PolarHBondContact N-O 3.06Å; E1430-A1470 PolarHBondContact O-N 2.85Å; E1430-F1496 HydrophobicContact CG-CB 4.32Å; E1430-F1496 HydrophobicContact CG-CD1 4.35Å; E1430-V1497 WeakPolarHBondContact CA-O 3.41Å
1431V96.3Very high91.6Very high0 Ų033 Ų330%020%0.201CC..EExtended strand (participates in β ladder)trans-117.3123.1176.5-177.90000108.7I1429 V1433 F1464 V1468 V1484 F1496 V1497I1429-V1431 HydrophobicContact CD1-CG2 3.73Å; I1429-V1431 HydrophobicContact CG1-CG2 4.01Å; V1431-V1433 PolarHBondContact O-N 2.78Å; V1431-F1464 HydrophobicContact CB-CD2 4.5Å; V1431-F1464 HydrophobicContact CB-CE2 4.18Å; V1431-F1464 HydrophobicContact CG1-CD2 4Å; V1431-F1464 HydrophobicContact CG1-CE2 3.92Å; V1431-F1464 HydrophobicContact CG2-CE2 3.92Å; V1431-F1464 HydrophobicContact CG2-CZ 4.33Å; V1431-V1468 HydrophobicContact CG2-CG2 4.47Å; V1431-V1484 HydrophobicContact CG1-CG2 3.85Å; V1431-V1484 HydrophobicContact CG2-CG2 3.85Å; V1431-F1496 WeakPolarHBondContact O-CA 3.5Å; V1431-V1497 HydrophobicContact CB-CG1 4.2Å; V1431-V1497 PolarHBondContact N-O 3.04Å; V1431-V1497 PolarHBondContact O-N 2.72Å
1432A95.1Very high91.6Very high7 Ų728.4 Ų28.46%0.05818%0.183CC..EExtended strand (participates in β ladder)trans-73.9106.616500000108.3G1466 V1467 T1469 T1495 F1496 R1725A1432-G1466 WeakPolarHBondContact O-CA 3.41Å; A1432-V1467 PolarHBondContact N-O 3Å; A1432-V1467 PolarHBondContact O-N 3.48Å; A1432-V1467 VanDerWaalsContact O-N 3.09Å; A1432-T1469 HydrophobicContact CB-CG2 3.6Å; A1432-T1495 CarbonylContact C-O 3.58Å; A1432-T1495 WeakPolarHBondContact CA-O 3.45Å; A1432-F1496 HydrophobicContact CB-CD1 3.86Å; A1432-F1496 HydrophobicContact CB-CE1 3.72Å; A1432-R1725 VanDerWaalsContact CB-NH1 3.3Å; A1432-R1725 PolarHBondContact O-NH1 3.43Å
1433V95.9Very high91.6Very high0 Ų024.7 Ų24.70%016%0.161CC..EExtended strand (participates in β ladder)trans-65.5145.5-175.8-171.20000109.4V1431 A1435 F1464 S1494 T1495 V1497 V1723 R1725V1431-V1433 PolarHBondContact O-N 2.78Å; V1433-A1435 WeakPolarHBondContact CG1-O 3.22Å; V1433-F1464 HydrophobicContact CG1-CB 4.27Å; V1433-S1494 VanDerWaalsContact CB-O 3.32Å; V1433-S1494 WeakPolarHBondContact CB-O 3.43Å; V1433-S1494 WeakPolarHBondContact CG2-O 3.45Å; V1433-T1495 PolarHBondContact N-O 3.07Å; V1433-V1497 HydrophobicContact CG2-CB 4.1Å; V1433-V1497 HydrophobicContact CG2-CG1 3.71Å; V1433-V1723 HydrophobicContact CB-CG1 4.45Å; V1433-V1723 HydrophobicContact CB-CG2 4.3Å; V1433-V1723 HydrophobicContact CG1-CB 4.39Å; V1433-V1723 HydrophobicContact CG1-CG2 3.8Å; V1433-R1725 VanDerWaalsContact O-CD 3.32Å; V1433-R1725 WeakPolarHBondContact O-CD 3.37Å
1434T94.6Very high91.3Very high39 Ų3923.2 Ų23.224%0.23914%0.142CC..EExtended strand (participates in β ladder)trans-120.4-37.1175.5-54.90000110.6A1465 V1513 V1723 R1725T1434-A1465 PolarHBondContact N-O 3.41Å; T1434-V1513 HydrophobicContact CG2-CG1 4.4Å; T1434-V1723 PolarHBondContact O-N 2.76Å; T1434-R1725 HydrophobicContact CG2-CG 4.43Å; T1434-R1725 PolarHBondContact OG1-NH1 3Å
1435A95.3Very high90.8Very high0 Ų023.7 Ų23.70%014%0.144CC..EExtended strand (participates in β ladder)trans-144.6150.4170.500000110.5V1433 A1465 A1517 V1720 L1721V1433-A1435 WeakPolarHBondContact CG1-O 3.22Å; A1435-A1465 PolarHBondContact N-O 2.91Å; A1435-A1465 PolarHBondContact O-N 2.91Å; A1435-A1517 HydrophobicContact CB-CB 3.63Å; A1435-V1720 HydrophobicContact CB-CG1 3.82Å; A1435-L1721 WeakPolarHBondContact CA-O 3.42Å
1436S95.3Very high90.4Very high0 Ų022.6 Ų22.60%013%0.133CC..EExtended strand (participates in β ladder)trans-139.6145.9173.6-179.80000109.3D1463 C1492 W1493 L1721S1436-D1463 WeakPolarHBondContact CA-O 3.44Å; S1436-D1463 VanDerWaalsContact CB-O 3.31Å; S1436-D1463 WeakPolarHBondContact CB-O 3.32Å; S1436-D1463 PolarHBondContact OG-O 3.47Å; S1436-C1492 WeakPolarHBondContact OG-CB 2.82Å; S1436-W1493 PolarHBondContact OG-NE1 2.8Å; S1436-L1721 PolarHBondContact N-O 3.09Å; S1436-L1721 PolarHBondContact O-N 2.8Å
1437S92.4Very high89.7Confident0 Ų021.6 Ų21.60%012%0.118CC..EExtended strand (participates in β ladder)trans-87.2157-179.9112.60000111.9N1439 D1463 W1493 A1517 K1718S1437-N1439 PolarHBondContact OG-ND2 2.77Å; S1437-N1439 VanDerWaalsContact OG-ND2 3.14Å; S1437-D1463 WeakPolarHBondContact CB-OD2 3.5Å; S1437-D1463 PolarHBondContact OG-OD2 3.39Å; S1437-W1493 PolarHBondContact O-NE1 3.16Å; S1437-A1517 WeakPolarHBondContact CB-O 3.48Å; S1437-K1718 PolarHBondContact OG-NZ 2.91Å
1438V91.4Very high88.7Confident5 Ų522.5 Ų22.53%0.0313%0.128CC..EExtended strand (participates in β ladder)trans-99.4116.4165.6-172.60000108.4W1493 A1706 V1710 V1719 L1721V1438-W1493 HydrophobicContact CB-CZ2 4.15Å; V1438-W1493 HydrophobicContact CG1-CH2 4.16Å; V1438-W1493 HydrophobicContact CG1-CZ2 3.93Å; V1438-W1493 HydrophobicContact CG2-CH2 4.44Å; V1438-W1493 HydrophobicContact CG2-CZ2 3.8Å; V1438-A1706 HydrophobicContact CG2-CB 4.07Å; V1438-V1710 HydrophobicContact CB-CG2 4.02Å; V1438-V1710 HydrophobicContact CG1-CB 4.11Å; V1438-V1710 HydrophobicContact CG1-CG1 4.43Å; V1438-V1710 HydrophobicContact CG1-CG2 3.71Å; V1438-V1719 HydrophobicContact CB-CB 4.29Å; V1438-V1719 HydrophobicContact CB-CG1 4.42Å; V1438-V1719 HydrophobicContact CG2-CG1 4.15Å; V1438-V1719 PolarHBondContact N-O 3.2Å; V1438-L1721 HydrophobicContact CG2-CD1 4Å; V1438-L1721 HydrophobicContact CG2-CD2 3.99Å; V1438-L1721 HydrophobicContact CG2-CG 3.67Å
1439N88.5Confident87.6Confident15 Ų1525.3 Ų25.38%0.0814%0.137CC..PPolyproline II helixtrans-102.5162.2173.4-69.2-71.2000110.9S1437 A1441 D1442 V1443 I1462 D1463 T1521 K1718S1437-N1439 PolarHBondContact OG-ND2 2.77Å; S1437-N1439 VanDerWaalsContact OG-ND2 3.14Å; N1439-A1441 HydrophobicContact CB-CB 4.44Å; N1439-A1441 PolarHBondContact O-N 2.85Å; N1439-D1442 WeakPolarHBondContact CA-OD2 3.11Å; N1439-D1442 WeakPolarHBondContact CB-OD2 3.33Å; N1439-D1442 PolarHBondContact N-OD2 3.23Å; N1439-D1442 WeakPolarHBondContact O-CB 3.34Å; N1439-D1442 PolarHBondContact O-N 3.19Å; N1439-V1443 PolarHBondContact O-N 2.89Å; N1439-I1462 WeakPolarHBondContact ND2-CG2 3.28Å; N1439-D1463 PolarHBondContact ND2-OD2 3.04Å; N1439-T1521 WeakPolarHBondContact OD1-CG2 3.39Å; N1439-K1718 PolarHBondContact OD1-NZ 3.2Å
1440F83.1Confident86.3Confident123 Ų12326.6 Ų26.654%0.53914%0.142SC..Hα-helixtrans-62.7-25.4174.5-166.2-103.3000112.6D1442 V1443 L1444F1440-D1442 VanDerWaalsContact C-N 3.32Å; F1440-D1442 PolarHBondContact O-N 2.62Å; F1440-V1443 WeakPolarHBondContact O-CB 3.44Å; F1440-V1443 PolarHBondContact O-N 3.47Å; F1440-L1444 HydrophobicContact CD1-CD1 4.13Å; F1440-L1444 HydrophobicContact CD1-CG 4.32Å; F1440-L1444 HydrophobicContact CE1-CD1 4.07Å; F1440-L1444 HydrophobicContact CE1-CD2 4.3Å; F1440-L1444 HydrophobicContact CE1-CG 4.13Å; F1440-L1444 PolarHBondContact O-N 3Å
1441A81.8Confident84.8Confident24 Ų2428.3 Ų28.320%0.19815%0.154CC..Hα-helixtrans-57.3-42.8169.100000112.5N1439 V1443 L1444 V1445 Y1450N1439-A1441 HydrophobicContact CB-CB 4.44Å; N1439-A1441 PolarHBondContact O-N 2.85Å; A1441-V1443 VanDerWaalsContact C-N 3.31Å; A1441-V1443 PolarHBondContact O-N 3.45Å; A1441-L1444 PolarHBondContact O-N 3.34Å; A1441-V1445 WeakPolarHBondContact O-CG2 3.41Å; A1441-V1445 PolarHBondContact O-N 2.98Å; A1441-Y1450 HydrophobicContact CB-CD2 4.17Å; A1441-Y1450 HydrophobicContact CB-CE2 3.62Å
1442D88Confident83Confident1 Ų132.4 Ų32.41%0.00518%0.178CC..Hα-helixtrans-69.5-31.3-178.2-51.8-62.1000111.8N1439 F1440 V1445 A1446 L1460 G1461 W1493N1439-D1442 WeakPolarHBondContact CA-OD2 3.11Å; N1439-D1442 WeakPolarHBondContact CB-OD2 3.33Å; N1439-D1442 PolarHBondContact N-OD2 3.23Å; N1439-D1442 WeakPolarHBondContact O-CB 3.34Å; N1439-D1442 PolarHBondContact O-N 3.19Å; F1440-D1442 VanDerWaalsContact C-N 3.32Å; F1440-D1442 PolarHBondContact O-N 2.62Å; D1442-V1445 PolarHBondContact O-N 3.35Å; D1442-A1446 WeakPolarHBondContact O-CB 3.28Å; D1442-A1446 PolarHBondContact O-N 2.75Å; D1442-L1460 HydrophobicContact CB-CD2 4.42Å; D1442-G1461 WeakPolarHBondContact OD1-CA 3.41Å; D1442-G1461 PolarHBondContact OD1-N 3.19Å; D1442-W1493 HydrophobicContact CB-CH2 3.54Å; D1442-W1493 HydrophobicContact CB-CZ2 3.56Å
1443V85.4Confident81.3Confident5 Ų536 Ų363%0.0319%0.193CC..Hα-helixtrans-63-48.1171.5-177.70000110.5N1439 F1440 A1441 V1445 A1446 F1447 I1707 V1710N1439-V1443 PolarHBondContact O-N 2.89Å; F1440-V1443 WeakPolarHBondContact O-CB 3.44Å; F1440-V1443 PolarHBondContact O-N 3.47Å; A1441-V1443 VanDerWaalsContact C-N 3.31Å; A1441-V1443 PolarHBondContact O-N 3.45Å; V1443-V1445 VanDerWaalsContact C-N 3.34Å; V1443-V1445 PolarHBondContact O-N 3.17Å; V1443-A1446 PolarHBondContact O-N 2.99Å; V1443-F1447 HydrophobicContact CG1-CD2 3.81Å; V1443-F1447 HydrophobicContact CG1-CE2 3.81Å; V1443-F1447 VanDerWaalsContact O-CD2 3.28Å; V1443-F1447 WeakPolarHBondContact O-CD2 3.44Å; V1443-F1447 PolarHBondContact O-N 3.27Å; V1443-I1707 HydrophobicContact CG1-CG2 4.31Å; V1443-I1707 HydrophobicContact CG2-CG2 4.29Å; V1443-V1710 HydrophobicContact CG2-CB 3.87Å; V1443-V1710 HydrophobicContact CG2-CG1 3.66Å
1444L82.3Confident79.4Confident49 Ų4944.7 Ų44.726%0.25723%0.234SC..Hα-helixtrans-63-39.5176.7-67.7173.6000111.8F1440 A1441 F1447 G1448 R1449 Y1450F1440-L1444 HydrophobicContact CD1-CD1 4.13Å; F1440-L1444 HydrophobicContact CD1-CG 4.32Å; F1440-L1444 HydrophobicContact CE1-CD1 4.07Å; F1440-L1444 HydrophobicContact CE1-CD2 4.3Å; F1440-L1444 HydrophobicContact CE1-CG 4.13Å; F1440-L1444 PolarHBondContact O-N 3Å; A1441-L1444 PolarHBondContact O-N 3.34Å; L1444-F1447 PolarHBondContact O-N 3.34Å; L1444-G1448 PolarHBondContact O-N 3.19Å; L1444-G1448 VanDerWaalsContact O-N 3.1Å; L1444-R1449 HydrophobicContact CD2-CB 4.21Å; L1444-R1449 PolarHBondContact O-N 2.96Å; L1444-Y1450 HydrophobicContact CB-CD2 4.01Å; L1444-Y1450 HydrophobicContact CB-CG 4.46Å; L1444-Y1450 HydrophobicContact CD1-CD2 4.34Å; L1444-Y1450 PolarHBondContact O-N 3.01Å
1445V81.2Confident77.5Confident23 Ų2346.3 Ų46.314%0.13926%0.258CS..Hα-helixtrans-62.6-44.5175.2170.80000111A1441 D1442 V1443 F1447 G1448 Y1450 Q1458 L1460A1441-V1445 WeakPolarHBondContact O-CG2 3.41Å; A1441-V1445 PolarHBondContact O-N 2.98Å; D1442-V1445 PolarHBondContact O-N 3.35Å; V1443-V1445 VanDerWaalsContact C-N 3.34Å; V1443-V1445 PolarHBondContact O-N 3.17Å; V1445-F1447 PolarHBondContact O-N 3.07Å; V1445-G1448 PolarHBondContact O-N 3.28Å; V1445-G1448 VanDerWaalsContact O-N 3.1Å; V1445-Y1450 HydrophobicContact CG2-CD1 4.13Å; V1445-Y1450 HydrophobicContact CG2-CD2 4.09Å; V1445-Y1450 HydrophobicContact CG2-CG 3.68Å; V1445-Q1458 WeakPolarHBondContact CG1-O 3.43Å; V1445-Q1458 HydrophobicContact CG2-CB 3.86Å; V1445-Q1458 HydrophobicContact CG2-CG 3.81Å; V1445-L1460 HydrophobicContact CB-CD2 4.01Å; V1445-L1460 HydrophobicContact CG1-CD2 3.66Å; V1445-L1460 HydrophobicContact CG1-CG 4.18Å
1446A82.7Confident75.8Confident0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-63.2-39.8178.500000112.5I1405 G1409 L1411 D1442 V1443 G1448 L1460 I1707I1405-A1446 HydrophobicContact CD1-CB 4.3Å; I1405-A1446 WeakPolarHBondContact CD1-O 3.48Å; G1409-A1446 PolarHBondContact N-O 3.17Å; L1411-A1446 HydrophobicContact CD2-CB 3.82Å; D1442-A1446 WeakPolarHBondContact O-CB 3.28Å; D1442-A1446 PolarHBondContact O-N 2.75Å; V1443-A1446 PolarHBondContact O-N 2.99Å; A1446-G1448 VanDerWaalsContact C-N 3.26Å; A1446-G1448 PolarHBondContact O-N 3.25Å; A1446-L1460 HydrophobicContact CB-CD2 4.31Å; A1446-I1707 HydrophobicContact CB-CD1 4.15Å; A1446-I1707 HydrophobicContact CB-CG2 4.32Å
1447F75.9Confident74.4Confident80 Ų8059.4 Ų59.435%0.35131%0.308SS..THydrogen-bonded Turntrans-79.80.7174.6-72.2-65.7000114.5L1411 V1443 L1444 V1445 R1449L1411-F1447 HydrophobicContact CD1-CE1 4.04Å; L1411-F1447 HydrophobicContact CD1-CE2 4.39Å; L1411-F1447 HydrophobicContact CD1-CZ 3.64Å; L1411-F1447 HydrophobicContact CG-CE1 4.15Å; L1411-F1447 HydrophobicContact CG-CZ 4.21Å; V1443-F1447 HydrophobicContact CG1-CD2 3.81Å; V1443-F1447 HydrophobicContact CG1-CE2 3.81Å; V1443-F1447 VanDerWaalsContact O-CD2 3.28Å; V1443-F1447 WeakPolarHBondContact O-CD2 3.44Å; V1443-F1447 PolarHBondContact O-N 3.27Å; L1444-F1447 PolarHBondContact O-N 3.34Å; V1445-F1447 PolarHBondContact O-N 3.07Å; F1447-R1449 HydrophobicContact CB-CG 4.29Å; F1447-R1449 PolarHBondContact O-N 3.27Å
1448G69.4Low73.5Confident50 Ų5059.8 Ų59.852%0.51531%0.31SS..THydrogen-bonded Turntrans74.67.4-177.400000115.1L1444 V1445 A1446L1444-G1448 PolarHBondContact O-N 3.19Å; L1444-G1448 VanDerWaalsContact O-N 3.1Å; V1445-G1448 PolarHBondContact O-N 3.28Å; V1445-G1448 VanDerWaalsContact O-N 3.1Å; A1446-G1448 VanDerWaalsContact C-N 3.26Å; A1446-G1448 PolarHBondContact O-N 3.25Å
1449R72.1Confident73.2Confident102 Ų10262.7 Ų62.739%0.38532%0.323SS..  trans-10322.1-172.4-55.2-177.1-170.1-147.92.7113.6E1000 L1444 F1447E1000-R1449 IonicContact OE2-CZ 3.01Å; E1000-R1449 IonicContact OE2-NH2 2.9Å; E1000-R1449 PolarHBondContact OE2-NH2 3.34Å; L1444-R1449 HydrophobicContact CD2-CB 4.21Å; L1444-R1449 PolarHBondContact O-N 2.96Å; F1447-R1449 HydrophobicContact CB-CG 4.29Å; F1447-R1449 PolarHBondContact O-N 3.27Å
1450Y69.9Low73.3Confident27 Ų2762.4 Ų62.411%0.10632%0.322CS..SBendtrans-96.9123.3175.6-171.2-88.5000110.3A1441 L1444 V1445 Q1458 K1638A1441-Y1450 HydrophobicContact CB-CD2 4.17Å; A1441-Y1450 HydrophobicContact CB-CE2 3.62Å; L1444-Y1450 HydrophobicContact CB-CD2 4.01Å; L1444-Y1450 HydrophobicContact CB-CG 4.46Å; L1444-Y1450 HydrophobicContact CD1-CD2 4.34Å; L1444-Y1450 PolarHBondContact O-N 3.01Å; V1445-Y1450 HydrophobicContact CG2-CD1 4.13Å; V1445-Y1450 HydrophobicContact CG2-CD2 4.09Å; V1445-Y1450 HydrophobicContact CG2-CG 3.68Å; Y1450-Q1458 HydrophobicContact CD1-CB 3.81Å; Y1450-Q1458 HydrophobicContact CE1-CB 3.54Å; Y1450-Q1458 HydrophobicContact CE1-CG 4.13Å; Y1450-K1638 HydrophobicContact CE2-CD 4.43Å; Y1450-K1638 PolarHBondContact OH-NZ 2.74Å
1451P64Low73.6Confident45 Ų4556.6 Ų56.629%0.29230%0.296SS..PPolyproline II helixtrans-64.7137.7-176.326.2-34.3000112Y1642P1451-Y1642 HydrophobicContact CB-CD1 4.44Å; P1451-Y1642 HydrophobicContact CB-CD2 4.42Å; P1451-Y1642 HydrophobicContact CB-CG 4.04Å; P1451-Y1642 HydrophobicContact CG-CD2 3.88Å; P1451-Y1642 HydrophobicContact CG-CE2 4.46Å; P1451-Y1642 HydrophobicContact CG-CG 4Å
1452T59.4Low74.1Confident85 Ų8555.9 Ų55.952%0.52129%0.289SS..PPolyproline II helixtrans-100.8137.1174.156.70000110.9Y1456 R1457T1452-Y1456 WeakPolarHBondContact CA-O 3.32Å; T1452-Y1456 VanDerWaalsContact CB-O 3.32Å; T1452-Y1456 WeakPolarHBondContact CB-O 3.33Å; T1452-R1457 HydrophobicContact CG2-CB 4.28Å; T1452-R1457 HydrophobicContact CG2-CG 4.12Å
1453F59.6Low74.3Confident84 Ų8455.9 Ų55.937%0.36829%0.289SS..BIsolated β-bridgetrans-125.2130.4-177.9178.8-94.3000110G1455 Y1456 Y1642 L1665F1453-G1455 PolarHBondContact O-N 3.26Å; F1453-Y1456 WeakPolarHBondContact O-CA 3.14Å; F1453-Y1456 WeakPolarHBondContact O-CB 3.45Å; F1453-Y1456 PolarHBondContact O-N 3Å; F1453-Y1642 HydrophobicContact CB-CE1 4.03Å; F1453-Y1642 HydrophobicContact CD2-CE1 4.01Å; F1453-Y1642 HydrophobicContact CG-CE1 4.26Å; F1453-L1665 HydrophobicContact CD1-CD1 4.39Å
1454E55.7Low74.8Confident181 Ų18155.6 Ų55.685%0.84629%0.287SS*.THydrogen-bonded Turntrans48.233.7-179.3-66.3-177.6160.500114.7Y1456E1454-Y1456 VanDerWaalsContact C-N 3.25Å; E1454-Y1456 PolarHBondContact O-N 3.28Å
1455G53.7Low75.4Confident73 Ų7353.3 Ų53.375%0.75328%0.275SS*.THydrogen-bonded Turntrans79.6-5.3-176.700000115.3F1453 R1457F1453-G1455 PolarHBondContact O-N 3.26Å; G1455-R1457 PolarHBondContact O-N 2.85Å
1456Y60.4Low76.1Confident73 Ų7352.2 Ų52.229%0.28627%0.268SS..BIsolated β-bridgetrans-62.2121.2170.1-178.9-92.6000110.5T1452 F1453 E1454 Q1458 A1489T1452-Y1456 WeakPolarHBondContact CA-O 3.32Å; T1452-Y1456 VanDerWaalsContact CB-O 3.32Å; T1452-Y1456 WeakPolarHBondContact CB-O 3.33Å; F1453-Y1456 WeakPolarHBondContact O-CA 3.14Å; F1453-Y1456 WeakPolarHBondContact O-CB 3.45Å; F1453-Y1456 PolarHBondContact O-N 3Å; E1454-Y1456 VanDerWaalsContact C-N 3.25Å; E1454-Y1456 PolarHBondContact O-N 3.28Å; Y1456-Q1458 HydrophobicContact CE1-CB 4.05Å; Y1456-Q1458 PolarHBondContact OH-OE1 3.36Å; Y1456-A1489 HydrophobicContact CE2-CB 3.71Å; Y1456-A1489 WeakPolarHBondContact OH-CB 3.47Å
1457R66Low76.7Confident203 Ų20353 Ų5377%0.76627%0.273SS*.  trans-121109.1176.5-166.4-178.6-66.2-174.5-1.7109.1T1452 G1455 Q1459T1452-R1457 HydrophobicContact CG2-CB 4.28Å; T1452-R1457 HydrophobicContact CG2-CG 4.12Å; G1455-R1457 PolarHBondContact O-N 2.85Å; R1457-Q1459 PolarHBondContact O-N 3.43Å
1458Q73.4Confident77.7Confident8 Ų849.2 Ų49.24%0.03726%0.257CS..PPolyproline II helixtrans-60.2129.8-179.3-178.363.45000110.9V1445 Y1450 Y1456V1445-Q1458 WeakPolarHBondContact CG1-O 3.43Å; V1445-Q1458 HydrophobicContact CG2-CB 3.86Å; V1445-Q1458 HydrophobicContact CG2-CG 3.81Å; Y1450-Q1458 HydrophobicContact CD1-CB 3.81Å; Y1450-Q1458 HydrophobicContact CE1-CB 3.54Å; Y1450-Q1458 HydrophobicContact CE1-CG 4.13Å; Y1456-Q1458 HydrophobicContact CE1-CB 4.05Å; Y1456-Q1458 PolarHBondContact OH-OE1 3.36Å
1459Q84.8Confident79Confident65 Ų6549.1 Ų49.130%0.30425%0.246SC..PPolyproline II helixtrans-91.7160.8169.3-71.7177.783.800111.1R1457 G1461R1457-Q1459 PolarHBondContact O-N 3.43Å; Q1459-G1461 PolarHBondContact O-N 3.3Å
1460L90.3Very high80Confident10 Ų1045.4 Ų45.45%0.05224%0.238CC..SBendtrans-65.5124.1-176.8-66.4174.3000112.6L1414 D1442 V1445 A1446 G1491 C1492 W1493L1414-L1460 HydrophobicContact CD1-CD1 4.04Å; D1442-L1460 HydrophobicContact CB-CD2 4.42Å; V1445-L1460 HydrophobicContact CB-CD2 4.01Å; V1445-L1460 HydrophobicContact CG1-CD2 3.66Å; V1445-L1460 HydrophobicContact CG1-CG 4.18Å; A1446-L1460 HydrophobicContact CB-CD2 4.31Å; L1460-G1491 CarbonylContact O-C 3.6Å; L1460-G1491 VanDerWaalsContact O-CA 3.22Å; L1460-G1491 WeakPolarHBondContact O-CA 3.25Å; L1460-C1492 PolarHBondContact O-N 2.88Å; L1460-W1493 HydrophobicContact CB-CD2 4.01Å; L1460-W1493 HydrophobicContact CB-CE3 3.53Å; L1460-W1493 HydrophobicContact CB-CZ3 3.85Å; L1460-W1493 HydrophobicContact CD1-CE3 4.09Å; L1460-W1493 HydrophobicContact CD1-CZ3 4.06Å; L1460-W1493 HydrophobicContact CD2-CE3 4.46Å; L1460-W1493 HydrophobicContact CD2-CH2 4.35Å; L1460-W1493 HydrophobicContact CD2-CZ3 3.91Å; L1460-W1493 HydrophobicContact CG-CE3 4.24Å; L1460-W1493 HydrophobicContact CG-CZ3 4.16Å; L1460-W1493 PolarHBondContact O-N 2.95Å
1461G90.3Very high81.2Confident0 Ų046.4 Ų46.40%025%0.246CC..  trans85112.5-175.900000111.9D1442 Q1459 C1492 W1493D1442-G1461 WeakPolarHBondContact OD1-CA 3.41Å; D1442-G1461 PolarHBondContact OD1-N 3.19Å; Q1459-G1461 PolarHBondContact O-N 3.3Å; G1461-C1492 WeakPolarHBondContact O-CB 3.27Å; G1461-C1492 PolarHBondContact O-N 3.41Å; G1461-W1493 VanDerWaalsContact CA-CD1 3.46Å; G1461-W1493 VanDerWaalsContact CA-NE1 3.28Å
1462I91.3Very high82.6Confident10 Ų1044.6 Ų44.65%0.05124%0.236CC..  trans-101-38.4172.9-169.9168.8000113.6N1439 M1487 S1488 C1492 A1664N1439-I1462 WeakPolarHBondContact ND2-CG2 3.28Å; I1462-M1487 HydrophobicContact CD1-CE 3.7Å; I1462-M1487 HydrophobicContact CG1-CB 4.41Å; I1462-M1487 HydrophobicContact CG1-CE 3.87Å; I1462-M1487 CarbonylContact O-C 3.4Å; I1462-M1487 WeakPolarHBondContact O-CA 3.37Å; I1462-S1488 PolarHBondContact O-N 3.26Å; I1462-C1492 PolarHBondContact O-SG 3.1Å; I1462-A1664 HydrophobicContact CD1-CB 3.78Å
1463D93.2Very high84Confident0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-84.4142.7179.3-58.1-41.2000110.8S1436 S1437 N1439 C1492 P1520 T1521 K1718S1436-D1463 WeakPolarHBondContact CA-O 3.44Å; S1436-D1463 VanDerWaalsContact CB-O 3.31Å; S1436-D1463 WeakPolarHBondContact CB-O 3.32Å; S1436-D1463 PolarHBondContact OG-O 3.47Å; S1437-D1463 WeakPolarHBondContact CB-OD2 3.5Å; S1437-D1463 PolarHBondContact OG-OD2 3.39Å; N1439-D1463 PolarHBondContact ND2-OD2 3.04Å; D1463-C1492 WeakPolarHBondContact O-CB 3.49Å; D1463-P1520 WeakPolarHBondContact OD1-CB 3.33Å; D1463-T1521 VanDerWaalsContact OD1-CB 3.24Å; D1463-T1521 WeakPolarHBondContact OD1-CB 3.35Å; D1463-T1521 PolarHBondContact OD1-N 3.24Å; D1463-T1521 PolarHBondContact OD1-OG1 3.05Å; D1463-T1521 WeakPolarHBondContact OD2-CB 2.89Å; D1463-T1521 PolarHBondContact OD2-OG1 2.81Å; D1463-K1718 IonicContact OD2-NZ 3.08Å
1464F95.2Very high85.1Confident0 Ų047 Ų470%025%0.253CS..EExtended strand (participates in β ladder)trans-141.1155.2169.270.8-92.1000113V1431 V1433 V1484 G1485 G1486 C1492 V1497 C1499 A1504V1431-F1464 HydrophobicContact CB-CD2 4.5Å; V1431-F1464 HydrophobicContact CB-CE2 4.18Å; V1431-F1464 HydrophobicContact CG1-CD2 4Å; V1431-F1464 HydrophobicContact CG1-CE2 3.92Å; V1431-F1464 HydrophobicContact CG2-CE2 3.92Å; V1431-F1464 HydrophobicContact CG2-CZ 4.33Å; V1433-F1464 HydrophobicContact CG1-CB 4.27Å; F1464-V1484 HydrophobicContact CE2-CG2 4.23Å; F1464-G1485 CarbonylContact O-C 3.5Å; F1464-G1485 VanDerWaalsContact O-CA 3.31Å; F1464-G1485 WeakPolarHBondContact O-CA 3.48Å; F1464-G1486 VanDerWaalsContact CE1-C 3.44Å; F1464-G1486 PolarHBondContact N-O 3.48Å; F1464-G1486 PolarHBondContact O-N 2.8Å; F1464-C1492 HydrophobicContact CB-CB 4.06Å; F1464-V1497 HydrophobicContact CD1-CG1 4.43Å; F1464-V1497 HydrophobicContact CG-CG1 4.42Å; F1464-C1499 HydrophobicContact CE1-CB 4.18Å; F1464-C1499 HydrophobicContact CZ-CB 4.43Å; F1464-C1499 VanDerWaalsContact CZ-SG 3.58Å; F1464-A1504 HydrophobicContact CZ-CB 4.13Å
1465A95.9Very high86.8Confident0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-136140.8157.800000110.2T1434 A1435 V1484 V1513 A1516 A1517T1434-A1465 PolarHBondContact N-O 3.41Å; A1435-A1465 PolarHBondContact N-O 2.91Å; A1435-A1465 PolarHBondContact O-N 2.91Å; A1465-V1484 CarbonylContact C-O 3.59Å; A1465-V1484 WeakPolarHBondContact CA-O 3.45Å; A1465-V1513 HydrophobicContact CB-CG1 3.79Å; A1465-V1513 WeakPolarHBondContact CB-O 3.45Å; A1465-A1516 HydrophobicContact CB-CB 4.19Å; A1465-A1517 HydrophobicContact CB-CB 3.91Å
1466G95.5Very high88.4Confident0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-175.1-154.9-171.800000114A1432 V1484A1432-G1466 WeakPolarHBondContact O-CA 3.41Å; G1466-V1484 PolarHBondContact N-O 3.48Å; G1466-V1484 PolarHBondContact O-N 3.22Å
1467V95.5Very high89.7Confident16 Ų1643 Ų4310%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-130.3132.5-179.8-175.70000109.8A1432 T1469 D1482A1432-V1467 PolarHBondContact N-O 3Å; A1432-V1467 PolarHBondContact O-N 3.48Å; A1432-V1467 VanDerWaalsContact O-N 3.09Å; V1467-T1469 PolarHBondContact O-N 2.87Å; V1467-D1482 WeakPolarHBondContact CA-O 3.46Å
1468V97Very high90.9Very high1 Ų133.6 Ų33.61%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-64.6123.8177.4-1770000110.3I1429 V1431 V1471 R1479 G1481 D1482 V1484I1429-V1468 HydrophobicContact CB-CG1 4.39Å; I1429-V1468 HydrophobicContact CD1-CG2 4.15Å; V1431-V1468 HydrophobicContact CG2-CG2 4.47Å; V1468-V1471 HydrophobicContact CG1-CG2 3.59Å; V1468-R1479 WeakPolarHBondContact CB-O 2.92Å; V1468-G1481 PolarHBondContact O-N 2.78Å; V1468-D1482 HydrophobicContact CG2-CB 4.16Å; V1468-D1482 PolarHBondContact N-O 2.96Å; V1468-V1484 HydrophobicContact CG2-CB 4.37Å; V1468-V1484 HydrophobicContact CG2-CG1 3.71Å; V1468-V1484 HydrophobicContact CG2-CG2 3.68Å
1469T95.2Very high91.9Very high48 Ų4842 Ų4229%0.29422%0.224SC..EExtended strand (participates in β ladder)trans-109.6-29-17941.80000113.8E1430 A1432 V1467 F1496E1430-T1469 PolarHBondContact O-N 3.05Å; E1430-T1469 PolarHBondContact O-OG1 3.02Å; E1430-T1469 WeakPolarHBondContact OE1-CB 3.28Å; E1430-T1469 PolarHBondContact OE1-OG1 3.32Å; A1432-T1469 HydrophobicContact CB-CG2 3.6Å; V1467-T1469 PolarHBondContact O-N 2.87Å; T1469-F1496 HydrophobicContact CG2-CE1 4.31Å
1470A94.2Very high92.3Very high25 Ų2544.5 Ų44.521%0.20724%0.238CC..EExtended strand (participates in β ladder)trans-142.8153170.100000110.5P1424 E1430P1424-A1470 HydrophobicContact CG-CB 3.83Å; E1430-A1470 HydrophobicContact CB-CB 3.92Å; E1430-A1470 PolarHBondContact N-O 3.06Å; E1430-A1470 PolarHBondContact O-N 2.85Å
1471V95.5Very high92.4Very high47 Ų4746.1 Ų46.129%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-128.5127.1-178178.20000107.8I1429 V1468 V1475 I1480I1429-V1471 HydrophobicContact CG2-CG1 4.34Å; I1429-V1471 HydrophobicContact CG2-CG2 4.28Å; V1468-V1471 HydrophobicContact CG1-CG2 3.59Å; V1471-V1475 HydrophobicContact CG1-CB 3.61Å; V1471-V1475 HydrophobicContact CG1-CG1 3.77Å; V1471-I1480 HydrophobicContact CG2-CG1 3.93Å
1472G92.5Very high92.6Very high8 Ų848 Ų488%0.08227%0.267CS..  trans-77.4172.917900000113G1425 E1428G1425-G1472 WeakPolarHBondContact O-CA 3.37Å; E1428-G1472 WeakPolarHBondContact O-CA 3.49Å; E1428-G1472 PolarHBondContact O-N 3.42Å
1473P88.6Confident92.8Very high70 Ų7052.3 Ų52.346%0.45529%0.287SS..THydrogen-bonded Turntrans-51146.5174.2-27.634.9000113.5P1426 G1427 V1475P1426-P1473 WeakPolarHBondContact CA-O 3.43Å; P1426-P1473 HydrophobicContact CB-CB 4.14Å; P1426-P1473 HydrophobicContact CG-CB 4.15Å; P1426-P1473 HydrophobicContact CG-CG 4.17Å; G1427-P1473 PolarHBondContact N-O 2.86Å; P1473-V1475 PolarHBondContact O-N 2.59Å
1474D83.7Confident93Very high149 Ų14952.3 Ų52.380%0.79729%0.287SS*.THydrogen-bonded Turntrans61.7-0.7174.5-51.3-46.7000117.3T1476D1474-T1476 PolarHBondContact O-N 3.01Å
1475V90.3Very high93Very high23 Ų2352.3 Ų52.314%0.13929%0.287CS..  trans-75109.4171.6177.70000110.2G1427 I1429 V1471 P1473 H1478 A1501G1427-V1475 VanDerWaalsContact CA-CG2 3.5Å; I1429-V1475 HydrophobicContact CG2-CG1 3.91Å; V1471-V1475 HydrophobicContact CG1-CB 3.61Å; V1471-V1475 HydrophobicContact CG1-CG1 3.77Å; P1473-V1475 PolarHBondContact O-N 2.59Å; V1475-H1478 HydrophobicContact CG1-CB 4.42Å; V1475-A1501 HydrophobicContact CB-CB 4.35Å; V1475-A1501 HydrophobicContact CG1-CB 3.67Å; V1475-A1501 HydrophobicContact CG2-CB 3.68Å
1476T88.4Confident92.9Very high124 Ų12452.3 Ų52.376%0.76129%0.287SS*.  trans-105.4-13.8-178.851.80000114.3D1474D1474-T1476 PolarHBondContact O-N 3.01Å
1477E86Confident92.8Very high96 Ų9652.3 Ų52.345%0.44929%0.287SS..SBendtrans-91.7-11.5-170.2-58-162.494.400114.8R1675E1477-R1675 IonicContact OE1-CZ 2.84Å; E1477-R1675 IonicContact OE1-NH1 3.81Å; E1477-R1675 PolarHBondContact OE1-NH1 2.87Å; E1477-R1675 IonicContact OE1-NH2 2.68Å; E1477-R1675 PolarHBondContact OE1-NH2 3.01Å; E1477-R1675 IonicContact OE2-CZ 2.8Å; E1477-R1675 IonicContact OE2-NE 3.88Å; E1477-R1675 IonicContact OE2-NH1 2.66Å; E1477-R1675 PolarHBondContact OE2-NH1 2.95Å; E1477-R1675 IonicContact OE2-NH2 3.75Å; E1477-R1675 PolarHBondContact OE2-NH2 2.97Å; E1477-R1675 VanDerWaalsContact OE2-NH2 3.1Å
1478H93.1Very high92.6Very high6 Ų651.8 Ų51.83%0.02828%0.284CS..  trans-132155178.5-61.8-77.3000110.6I1429 V1475 D1482 A1501 A1504I1429-H1478 HydrophobicContact CG2-CB 4.45Å; V1475-H1478 HydrophobicContact CG1-CB 4.42Å; H1478-D1482 WeakPolarHBondContact CA-OD2 3.11Å; H1478-A1501 PolarHBondContact CD2-O 2.89Å; H1478-A1501 PolarHBondContact NE2-O 2.82Å; H1478-A1504 PolarHBondContact CE1-O 2.75Å; H1478-A1504 PolarHBondContact NE2-O 3.2Å; H1478-A1504 VanDerWaalsContact NE2-O 3.08Å
1479R93.2Very high91.9Very high183 Ų18353 Ų5369%0.69129%0.294SS*.  trans-132.5153.4-179.7-58.9176.7-178.1170.22.5110.5V1468 G1481 D1482V1468-R1479 WeakPolarHBondContact CB-O 2.92Å; R1479-G1481 PolarHBondContact O-N 3.42Å; R1479-D1482 PolarHBondContact N-OD2 3.47Å; R1479-D1482 VanDerWaalsContact O-CB 3.31Å; R1479-D1482 WeakPolarHBondContact O-CB 3.37Å; R1479-D1482 PolarHBondContact O-N 2.9Å
1480I93.7Very high91.4Very high119 Ų11954.3 Ų54.361%0.6130%0.299SS*.THydrogen-bonded Turntrans-60.4126172.7-59.9175.9000108.8V1471V1471-I1480 HydrophobicContact CG2-CG1 3.93Å
1481G92.5Very high91Very high43 Ų4353.4 Ų53.444%0.44329%0.292SS..THydrogen-bonded Turntrans98.8-10.5-173.200000115.2V1468 R1479 H1483V1468-G1481 PolarHBondContact O-N 2.78Å; R1479-G1481 PolarHBondContact O-N 3.42Å; G1481-H1483 PolarHBondContact O-N 3.48Å
1482D94.4Very high90.9Very high41 Ų4151.1 Ų51.122%0.21928%0.279CS..  trans-65.9133.9175.3-72.1-9.8000110.8V1467 V1468 H1478 R1479 V1484 T1506V1467-D1482 WeakPolarHBondContact CA-O 3.46Å; V1468-D1482 HydrophobicContact CG2-CB 4.16Å; V1468-D1482 PolarHBondContact N-O 2.96Å; H1478-D1482 WeakPolarHBondContact CA-OD2 3.11Å; R1479-D1482 PolarHBondContact N-OD2 3.47Å; R1479-D1482 VanDerWaalsContact O-CB 3.31Å; R1479-D1482 WeakPolarHBondContact O-CB 3.37Å; R1479-D1482 PolarHBondContact O-N 2.9Å; D1482-V1484 HydrophobicContact CB-CG1 4.22Å; D1482-T1506 HydrophobicContact CB-CG2 4.4Å
1483H95.5Very high91.1Very high99 Ų9950.8 Ų50.846%0.45828%0.275SS..EExtended strand (participates in β ladder)trans-80.7119.3170-78.2-97.1000109.1G1481 T1506 L1507 V1513G1481-H1483 PolarHBondContact O-N 3.48Å; H1483-T1506 WeakPolarHBondContact O-CA 3.49Å; H1483-L1507 PolarHBondContact O-N 3.23Å; H1483-V1513 VanDerWaalsContact ND1-CG2 3.29Å; H1483-V1513 WeakPolarHBondContact ND1-CG2 3.31Å
1484V96.2Very high91.3Very high0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-130.6146.8-170.7-69.20000111.8V1431 F1464 A1465 G1466 V1468 D1482 V1505V1431-V1484 HydrophobicContact CG1-CG2 3.85Å; V1431-V1484 HydrophobicContact CG2-CG2 3.85Å; F1464-V1484 HydrophobicContact CE2-CG2 4.23Å; A1465-V1484 CarbonylContact C-O 3.59Å; A1465-V1484 WeakPolarHBondContact CA-O 3.45Å; G1466-V1484 PolarHBondContact N-O 3.48Å; G1466-V1484 PolarHBondContact O-N 3.22Å; V1468-V1484 HydrophobicContact CG2-CB 4.37Å; V1468-V1484 HydrophobicContact CG2-CG1 3.71Å; V1468-V1484 HydrophobicContact CG2-CG2 3.68Å; D1482-V1484 HydrophobicContact CB-CG1 4.22Å; V1484-V1505 VanDerWaalsContact CA-O 3.32Å; V1484-V1505 WeakPolarHBondContact CA-O 3.41Å
1485G95.2Very high91.9Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-127151.2166.200000110.7F1464 V1505 Y1682F1464-G1485 CarbonylContact O-C 3.5Å; F1464-G1485 VanDerWaalsContact O-CA 3.31Å; F1464-G1485 WeakPolarHBondContact O-CA 3.48Å; G1485-V1505 PolarHBondContact N-O 3.38Å; G1485-V1505 PolarHBondContact O-N 3.19Å; G1485-Y1682 WeakPolarHBondContact CA-OH 3.48Å
1486G94.3Very high92.1Very high0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans177.1-164.3-170.100000114.6F1464 L1503F1464-G1486 VanDerWaalsContact CE1-C 3.44Å; F1464-G1486 PolarHBondContact N-O 3.48Å; F1464-G1486 PolarHBondContact O-N 2.8Å; G1486-L1503 WeakPolarHBondContact CA-O 3.31Å
1487M94.2Very high92.4Very high1 Ų134.4 Ų34.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-131.9144.8-177.5-58.7179.170.700111.4I1462 L1503 P1520 T1521 L1663 T1667 V1674I1462-M1487 HydrophobicContact CD1-CE 3.7Å; I1462-M1487 HydrophobicContact CG1-CB 4.41Å; I1462-M1487 HydrophobicContact CG1-CE 3.87Å; I1462-M1487 CarbonylContact O-C 3.4Å; I1462-M1487 WeakPolarHBondContact O-CA 3.37Å; M1487-L1503 PolarHBondContact N-O 2.77Å; M1487-L1503 VanDerWaalsContact N-O 3.15Å; M1487-L1503 WeakPolarHBondContact O-CB 3.42Å; M1487-P1520 HydrophobicContact CG-CB 4.11Å; M1487-P1520 HydrophobicContact SD-CB 4.45Å; M1487-T1521 WeakPolarHBondContact CE-OG1 3.22Å; M1487-L1663 HydrophobicContact CE-CD2 3.89Å; M1487-L1663 HydrophobicContact CE-CG 4.03Å; M1487-L1663 HydrophobicContact SD-CD2 4.02Å; M1487-L1663 HydrophobicContact SD-CG 4.28Å; M1487-T1667 HydrophobicContact CB-CG2 4.18Å; M1487-T1667 HydrophobicContact CE-CG2 4.14Å; M1487-T1667 HydrophobicContact SD-CG2 4.31Å; M1487-V1674 HydrophobicContact SD-CG1 4.09Å
1488S91Very high92.7Very high4 Ų433.9 Ų33.93%0.02817%0.172CC..  trans-147.8145.5175.5-170.40000113.2I1462 N1490 R1498I1462-S1488 PolarHBondContact O-N 3.26Å; S1488-N1490 VanDerWaalsContact C-N 3.32Å; S1488-N1490 PolarHBondContact OG-N 3.2Å; S1488-R1498 PolarHBondContact OG-O 2.89Å
1489A81.6Confident92.6Very high28 Ų2833.6 Ų33.623%0.23117%0.171CC..SBendtrans-77.4-15.6171.900000113.7Y1456 G1491Y1456-A1489 HydrophobicContact CE2-CB 3.71Å; Y1456-A1489 WeakPolarHBondContact OH-CB 3.47Å; A1489-G1491 VanDerWaalsContact C-N 3.28Å; A1489-G1491 PolarHBondContact O-N 3.18Å
1490N84.8Confident92.6Very high74 Ų7426.9 Ų26.940%0.39615%0.149SC..SBendtrans-84.611.4-166.7-71.4-34.5000115.2S1488 V1497 R1498S1488-N1490 VanDerWaalsContact C-N 3.32Å; S1488-N1490 PolarHBondContact OG-N 3.2Å; N1490-V1497 HydrophobicContact CB-CG2 4.06Å; N1490-R1498 PolarHBondContact ND2-O 2.98Å
1491G86.9Confident92.6Very high6 Ų621.6 Ų21.66%0.06212%0.123CC..  trans82.589178.100000113L1460 A1489 W1493 S1494L1460-G1491 CarbonylContact O-C 3.6Å; L1460-G1491 VanDerWaalsContact O-CA 3.22Å; L1460-G1491 WeakPolarHBondContact O-CA 3.25Å; A1489-G1491 VanDerWaalsContact C-N 3.28Å; A1489-G1491 PolarHBondContact O-N 3.18Å; G1491-W1493 PolarHBondContact O-N 3.4Å; G1491-S1494 PolarHBondContact O-OG 3.45Å
1492C93.6Very high92.6Very high0 Ų024 Ų240%012%0.118CC..SBendtrans-74.2-8.4-177.6-64.80000114.4S1436 L1460 G1461 I1462 D1463 F1464 S1494S1436-C1492 WeakPolarHBondContact OG-CB 2.82Å; L1460-C1492 PolarHBondContact O-N 2.88Å; G1461-C1492 WeakPolarHBondContact O-CB 3.27Å; G1461-C1492 PolarHBondContact O-N 3.41Å; I1462-C1492 PolarHBondContact O-SG 3.1Å; D1463-C1492 WeakPolarHBondContact O-CB 3.49Å; F1464-C1492 HydrophobicContact CB-CB 4.06Å; C1492-S1494 PolarHBondContact O-N 3.18Å
1493W94.9Very high92.6Very high1 Ų122.5 Ų22.50%0.00411%0.11CC..SBendtrans-80.161.9171.3-62-2.5000110.5R1402 L1403 S1436 S1437 V1438 D1442 L1460 G1461 G1491 I1700 I1707 L1721R1402-W1493 WeakPolarHBondContact CA-O 3.31Å; L1403-W1493 HydrophobicContact CB-CB 4.03Å; L1403-W1493 HydrophobicContact CD2-CB 4.44Å; L1403-W1493 HydrophobicContact CD2-CD2 4.49Å; L1403-W1493 HydrophobicContact CD2-CE3 3.7Å; L1403-W1493 HydrophobicContact CD2-CZ3 4.43Å; L1403-W1493 HydrophobicContact CG-CE3 4.46Å; L1403-W1493 PolarHBondContact N-O 2.89Å; S1436-W1493 PolarHBondContact OG-NE1 2.8Å; S1437-W1493 PolarHBondContact O-NE1 3.16Å; V1438-W1493 HydrophobicContact CB-CZ2 4.15Å; V1438-W1493 HydrophobicContact CG1-CH2 4.16Å; V1438-W1493 HydrophobicContact CG1-CZ2 3.93Å; V1438-W1493 HydrophobicContact CG2-CH2 4.44Å; V1438-W1493 HydrophobicContact CG2-CZ2 3.8Å; D1442-W1493 HydrophobicContact CB-CH2 3.54Å; D1442-W1493 HydrophobicContact CB-CZ2 3.56Å; L1460-W1493 HydrophobicContact CB-CD2 4.01Å; L1460-W1493 HydrophobicContact CB-CE3 3.53Å; L1460-W1493 HydrophobicContact CB-CZ3 3.85Å; L1460-W1493 HydrophobicContact CD1-CE3 4.09Å; L1460-W1493 HydrophobicContact CD1-CZ3 4.06Å; L1460-W1493 HydrophobicContact CD2-CE3 4.46Å; L1460-W1493 HydrophobicContact CD2-CH2 4.35Å; L1460-W1493 HydrophobicContact CD2-CZ3 3.91Å; L1460-W1493 HydrophobicContact CG-CE3 4.24Å; L1460-W1493 HydrophobicContact CG-CZ3 4.16Å; L1460-W1493 PolarHBondContact O-N 2.95Å; G1461-W1493 VanDerWaalsContact CA-CD1 3.46Å; G1461-W1493 VanDerWaalsContact CA-NE1 3.28Å; G1491-W1493 PolarHBondContact O-N 3.4Å; W1493-I1700 HydrophobicContact CB-CD1 4.02Å; W1493-I1707 HydrophobicContact CH2-CD1 4.17Å; W1493-I1707 HydrophobicContact CH2-CG1 3.89Å; W1493-I1707 HydrophobicContact CZ3-CD1 3.9Å; W1493-I1707 HydrophobicContact CZ3-CG1 4.14Å; W1493-L1721 HydrophobicContact CD2-CD1 3.61Å; W1493-L1721 HydrophobicContact CE3-CD1 4.11Å; W1493-L1721 HydrophobicContact CG-CD1 3.9Å; W1493-L1721 HydrophobicContact CZ2-CD1 4.11Å
1494S94.5Very high92.5Very high3 Ų317.8 Ų17.82%0.0219%0.089CC..BIsolated β-bridgetrans-152156-170.854.80000111.8M1401 V1433 G1491 C1492 F1496M1401-S1494 CarbonylContact O-C 3.52Å; M1401-S1494 VanDerWaalsContact O-CA 3.23Å; M1401-S1494 WeakPolarHBondContact O-CA 3.36Å; M1401-S1494 WeakPolarHBondContact O-CB 3.38Å; V1433-S1494 VanDerWaalsContact CB-O 3.32Å; V1433-S1494 WeakPolarHBondContact CB-O 3.43Å; V1433-S1494 WeakPolarHBondContact CG2-O 3.45Å; G1491-S1494 PolarHBondContact O-OG 3.45Å; C1492-S1494 PolarHBondContact O-N 3.18Å; S1494-F1496 VanDerWaalsContact C-N 3.31Å; S1494-F1496 PolarHBondContact OG-O 3.02Å
1495T94.7Very high92.4Very high4 Ų418.1 Ų18.13%0.0259%0.091CC..SBendtrans-66.5-33.8175.744.30000112.6Y1396 D1399 M1401 A1432 V1433 V1723Y1396-T1495 HydrophobicContact CD1-CG2 4.05Å; Y1396-T1495 HydrophobicContact CG-CG2 4.5Å; D1399-T1495 PolarHBondContact O-OG1 3.47Å; M1401-T1495 HydrophobicContact CE-CG2 3.77Å; M1401-T1495 PolarHBondContact N-OG1 2.94Å; M1401-T1495 VanDerWaalsContact N-OG1 3.09Å; M1401-T1495 PolarHBondContact O-N 3.02Å; M1401-T1495 PolarHBondContact O-OG1 3.44Å; A1432-T1495 CarbonylContact C-O 3.58Å; A1432-T1495 WeakPolarHBondContact CA-O 3.45Å; V1433-T1495 PolarHBondContact N-O 3.07Å; T1495-V1723 HydrophobicContact CG2-CG1 4.45Å
1496F95.4Very high92.4Very high12 Ų1221.4 Ų21.45%0.05311%0.111CC..EExtended strand (participates in β ladder)trans-136.5132.3178.5-60.2-92000109.8F1419 R1421 E1430 V1431 A1432 T1469 S1494F1419-F1496 HydrophobicContact CZ-CB 4.36Å; F1419-F1496 VanDerWaalsContact CZ-O 3.3Å; F1419-F1496 WeakPolarHBondContact CZ-O 3.34Å; R1421-F1496 HydrophobicContact CG-CD2 4.41Å; E1430-F1496 HydrophobicContact CG-CB 4.32Å; E1430-F1496 HydrophobicContact CG-CD1 4.35Å; V1431-F1496 WeakPolarHBondContact O-CA 3.5Å; A1432-F1496 HydrophobicContact CB-CD1 3.86Å; A1432-F1496 HydrophobicContact CB-CE1 3.72Å; T1469-F1496 HydrophobicContact CG2-CE1 4.31Å; S1494-F1496 VanDerWaalsContact C-N 3.31Å; S1494-F1496 PolarHBondContact OG-O 3.02Å
1497V94.2Very high92.3Very high3 Ų322.1 Ų22.12%0.01812%0.115CC..EExtended strand (participates in β ladder)trans-121.1135.5173.171.10000109.8E1430 V1431 V1433 F1464 N1490E1430-V1497 WeakPolarHBondContact CA-O 3.41Å; V1431-V1497 HydrophobicContact CB-CG1 4.2Å; V1431-V1497 PolarHBondContact N-O 3.04Å; V1431-V1497 PolarHBondContact O-N 2.72Å; V1433-V1497 HydrophobicContact CG2-CB 4.1Å; V1433-V1497 HydrophobicContact CG2-CG1 3.71Å; F1464-V1497 HydrophobicContact CD1-CG1 4.43Å; F1464-V1497 HydrophobicContact CG-CG1 4.42Å; N1490-V1497 HydrophobicContact CB-CG2 4.06Å
1498R92.6Very high92Very high84 Ų8423.1 Ų23.132%0.31712%0.121SC..EExtended strand (participates in β ladder)trans-86.2134.2162.3-75.3-166.3-70.1132.4-1.2109V1422 E1428 I1429 S1488 N1490V1422-R1498 WeakPolarHBondContact O-CD 3.18Å; E1428-R1498 IonicContact OE1-NH1 3.48Å; E1428-R1498 PolarHBondContact OE1-NH1 3.09Å; E1428-R1498 WeakPolarHBondContact OE2-CD 3.22Å; E1428-R1498 IonicContact OE2-CZ 2.76Å; E1428-R1498 IonicContact OE2-NH1 3.58Å; E1428-R1498 PolarHBondContact OE2-NH1 3.33Å; I1429-R1498 WeakPolarHBondContact O-CA 3.45Å; S1488-R1498 PolarHBondContact OG-O 2.89Å; N1490-R1498 PolarHBondContact ND2-O 2.98Å
1499C91.2Very high91.6Very high1 Ų128.9 Ų28.91%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-144.2157.8178.362.60000111.3E1428 I1429 F1464 A1501E1428-C1499 CarbonylContact C-O 3.58Å; E1428-C1499 WeakPolarHBondContact CA-O 3.4Å; I1429-C1499 VanDerWaalsContact CG1-SG 3.53Å; I1429-C1499 PolarHBondContact N-O 2.84Å; I1429-C1499 PolarHBondContact O-N 2.89Å; F1464-C1499 HydrophobicContact CE1-CB 4.18Å; F1464-C1499 HydrophobicContact CZ-CB 4.43Å; F1464-C1499 VanDerWaalsContact CZ-SG 3.58Å; C1499-A1501 PolarHBondContact O-N 2.84Å
1500D92.9Very high91.7Very high42 Ų4233.8 Ų33.823%0.22518%0.176CC..EExtended strand (participates in β ladder)trans-62.4125.6170-175.2-42.2000109.1R1502 L1503D1500-R1502 PolarHBondContact O-N 2.93Å; D1500-R1502 WeakPolarHBondContact OD1-CA 3.29Å; D1500-R1502 WeakPolarHBondContact OD1-CB 3.36Å; D1500-R1502 WeakPolarHBondContact OD1-CG 3.11Å; D1500-R1502 IonicContact OD1-CZ 2.68Å; D1500-R1502 PolarHBondContact OD1-N 2.96Å; D1500-R1502 IonicContact OD1-NE 3.38Å; D1500-R1502 PolarHBondContact OD1-NE 3.26Å; D1500-R1502 IonicContact OD2-CZ 3.22Å; D1500-R1502 VanDerWaalsContact OD2-CZ 3.27Å; D1500-R1502 IonicContact OD2-NE 3.5Å; D1500-R1502 PolarHBondContact OD2-NE 3.13Å; D1500-R1502 IonicContact OD2-NH2 3.18Å; D1500-R1502 PolarHBondContact OD2-NH2 2.79Å; D1500-L1503 HydrophobicContact CB-CD1 4.04Å; D1500-L1503 HydrophobicContact CB-CG 4.11Å; D1500-L1503 PolarHBondContact O-N 2.85Å
1501A93.5Very high91.8Very high8 Ų830.8 Ų30.87%0.06616%0.16CC..G310 helixtrans-56.7-24.7-178.400000113.3G1427 I1429 V1475 H1478 C1499 A1504G1427-A1501 WeakPolarHBondContact O-CB 3.35Å; G1427-A1501 PolarHBondContact O-N 3.38Å; I1429-A1501 HydrophobicContact CG2-CB 4.09Å; V1475-A1501 HydrophobicContact CB-CB 4.35Å; V1475-A1501 HydrophobicContact CG1-CB 3.67Å; V1475-A1501 HydrophobicContact CG2-CB 3.68Å; H1478-A1501 PolarHBondContact CD2-O 2.89Å; H1478-A1501 PolarHBondContact NE2-O 2.82Å; C1499-A1501 PolarHBondContact O-N 2.84Å; A1501-A1504 PolarHBondContact O-N 2.97Å
1502R92.5Very high91.7Very high92 Ų9234.6 Ų34.635%0.34718%0.184SC..G310 helixtrans-72.8-27.6176.8-56.2173.6-71.9179.8-2112.2D1500 A1504 P1671 H1672 R1675D1500-R1502 PolarHBondContact O-N 2.93Å; D1500-R1502 WeakPolarHBondContact OD1-CA 3.29Å; D1500-R1502 WeakPolarHBondContact OD1-CB 3.36Å; D1500-R1502 WeakPolarHBondContact OD1-CG 3.11Å; D1500-R1502 IonicContact OD1-CZ 2.68Å; D1500-R1502 PolarHBondContact OD1-N 2.96Å; D1500-R1502 IonicContact OD1-NE 3.38Å; D1500-R1502 PolarHBondContact OD1-NE 3.26Å; D1500-R1502 IonicContact OD2-CZ 3.22Å; D1500-R1502 VanDerWaalsContact OD2-CZ 3.27Å; D1500-R1502 IonicContact OD2-NE 3.5Å; D1500-R1502 PolarHBondContact OD2-NE 3.13Å; D1500-R1502 IonicContact OD2-NH2 3.18Å; D1500-R1502 PolarHBondContact OD2-NH2 2.79Å; R1502-A1504 VanDerWaalsContact C-N 3.28Å; R1502-P1671 HydrophobicContact CB-CB 4.17Å; R1502-P1671 VanDerWaalsContact CZ-CG 3.49Å; R1502-H1672 VanDerWaalsContact CD-CE1 3.46Å; R1502-H1672 WeakPolarHBondContact CD-CE1 3.49Å; R1502-H1672 WeakPolarHBondContact CD-NE2 3.4Å; R1502-H1672 PolarHBondContact NH1-NE2 2.63Å; R1502-R1675 WeakPolarHBondContact O-CB 3.21Å; R1502-R1675 VanDerWaalsContact O-CD 3.23Å; R1502-R1675 WeakPolarHBondContact O-CD 3.28Å; R1502-R1675 WeakPolarHBondContact O-CG 3.33Å
1503L94.2Very high91.2Very high11 Ų1136 Ų366%0.05819%0.193CC..G310 helixtrans-85.3-0.9178.7-60.7176.3000113.3G1486 M1487 D1500 T1667 P1671 V1674 L1678G1486-L1503 WeakPolarHBondContact CA-O 3.31Å; M1487-L1503 PolarHBondContact N-O 2.77Å; M1487-L1503 VanDerWaalsContact N-O 3.15Å; M1487-L1503 WeakPolarHBondContact O-CB 3.42Å; D1500-L1503 HydrophobicContact CB-CD1 4.04Å; D1500-L1503 HydrophobicContact CB-CG 4.11Å; D1500-L1503 PolarHBondContact O-N 2.85Å; L1503-T1667 HydrophobicContact CD1-CG2 4.5Å; L1503-T1667 HydrophobicContact CD2-CG2 4.28Å; L1503-P1671 HydrophobicContact CD2-CB 3.76Å; L1503-P1671 HydrophobicContact CG-CB 4.3Å; L1503-V1674 HydrophobicContact CD2-CB 4.01Å; L1503-V1674 HydrophobicContact CD2-CG1 4Å; L1503-L1678 WeakPolarHBondContact O-CD1 3.47Å
1504A94.4Very high90.4Very high0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-107144.4172.800000111.5I1429 F1464 H1478 A1501 R1502I1429-A1504 HydrophobicContact CD1-CB 3.63Å; F1464-A1504 HydrophobicContact CZ-CB 4.13Å; H1478-A1504 PolarHBondContact CE1-O 2.75Å; H1478-A1504 PolarHBondContact NE2-O 3.2Å; H1478-A1504 VanDerWaalsContact NE2-O 3.08Å; A1501-A1504 PolarHBondContact O-N 2.97Å; R1502-A1504 VanDerWaalsContact C-N 3.28Å
1505V94.6Very high89.9Confident7 Ų738.2 Ų38.24%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-132.6130.8177.5175.20000109.4V1484 G1485 L1507 R1675 L1678 K1679 Y1682V1484-V1505 VanDerWaalsContact CA-O 3.32Å; V1484-V1505 WeakPolarHBondContact CA-O 3.41Å; G1485-V1505 PolarHBondContact N-O 3.38Å; G1485-V1505 PolarHBondContact O-N 3.19Å; V1505-L1507 PolarHBondContact O-N 2.86Å; V1505-R1675 HydrophobicContact CG2-CG 4.04Å; V1505-L1678 HydrophobicContact CB-CB 4.39Å; V1505-L1678 HydrophobicContact CG2-CB 3.64Å; V1505-L1678 HydrophobicContact CG2-CD1 4.22Å; V1505-K1679 HydrophobicContact CB-CG 4.46Å; V1505-K1679 HydrophobicContact CG1-CG 3.57Å; V1505-K1679 HydrophobicContact CG2-CG 3.96Å; V1505-Y1682 HydrophobicContact CB-CD2 4.49Å; V1505-Y1682 HydrophobicContact CG1-CD2 4.37Å
1506T93.7Very high89.8Confident68 Ų6838 Ų3842%0.41721%0.21SC..EExtended strand (participates in β ladder)trans-60.4125.1171.5-34.90000109.5D1482 H1483D1482-T1506 HydrophobicContact CB-CG2 4.4Å; H1483-T1506 WeakPolarHBondContact O-CA 3.49Å
1507L92.6Very high89.6Confident16 Ų1637.4 Ų37.48%0.08421%0.207CC..PPolyproline II helixtrans-74.6145.8-175.6-62.5175.8000111.3H1483 V1505 L1511 A1516 Y1682H1483-L1507 PolarHBondContact O-N 3.23Å; V1505-L1507 PolarHBondContact O-N 2.86Å; L1507-L1511 HydrophobicContact CD2-CD2 4.5Å; L1507-A1516 HydrophobicContact CD1-CB 3.55Å; L1507-A1516 HydrophobicContact CD2-CB 3.75Å; L1507-A1516 HydrophobicContact CG-CB 4.29Å; L1507-Y1682 HydrophobicContact CD2-CD1 4.15Å; L1507-Y1682 HydrophobicContact CD2-CD2 3.89Å; L1507-Y1682 HydrophobicContact CD2-CE1 3.87Å; L1507-Y1682 HydrophobicContact CD2-CE2 3.6Å; L1507-Y1682 HydrophobicContact CD2-CG 4.16Å
1508P87.7Confident89.3Confident22 Ų2237.3 Ų37.314%0.14321%0.206CC..PPolyproline II helixtrans-58.4139.1166.2-20.632.4000110.5E1510 L1511 V1686P1508-E1510 WeakPolarHBondContact CB-OE2 3.22Å; P1508-E1510 PolarHBondContact O-N 3.47Å; P1508-L1511 PolarHBondContact O-N 3.27Å; P1508-V1686 HydrophobicContact CB-CG2 3.97Å; P1508-V1686 HydrophobicContact CG-CG2 4.02Å
1509P83Confident89.2Confident125 Ų12533.3 Ų33.381%0.81219%0.191SC*.THydrogen-bonded Turntrans-55.4-24179.9-2735.3000115
1510E84.4Confident89.1Confident130 Ų13033.2 Ų33.261%0.60719%0.191SC*.THydrogen-bonded Turntrans-79.6-18.7-177.7-5770.8-152.700112.9P1508 P1512 V1686P1508-E1510 WeakPolarHBondContact CB-OE2 3.22Å; P1508-E1510 PolarHBondContact O-N 3.47Å; E1510-P1512 WeakPolarHBondContact O-CD 3.37Å; E1510-V1686 HydrophobicContact CB-CG1 3.83Å; E1510-V1686 HydrophobicContact CB-CG2 4.49Å; E1510-V1686 HydrophobicContact CG-CG1 4.25Å
1511L86.7Confident89Confident12 Ų1232.4 Ų32.46%0.06319%0.188CC..SBendtrans-94.9116.6-175.1-170.464.9000111.6L1507 P1508 V1513 A1516 Y1682 T1685 V1686L1507-L1511 HydrophobicContact CD2-CD2 4.5Å; P1508-L1511 PolarHBondContact O-N 3.27Å; L1511-V1513 PolarHBondContact O-N 2.79Å; L1511-A1516 HydrophobicContact CD2-CB 3.79Å; L1511-A1516 HydrophobicContact CG-CB 4.11Å; L1511-Y1682 HydrophobicContact CD2-CD1 3.41Å; L1511-Y1682 VanDerWaalsContact CD2-CD1 3.41Å; L1511-Y1682 HydrophobicContact CD2-CE1 3.93Å; L1511-Y1682 HydrophobicContact CD2-CG 4.24Å; L1511-T1685 HydrophobicContact CD1-CG2 3.96Å; L1511-V1686 HydrophobicContact CB-CG2 3.8Å; L1511-V1686 HydrophobicContact CD1-CG2 4.32Å; L1511-V1686 HydrophobicContact CG-CG2 4.47Å
1512P85.4Confident88.8Confident86 Ų8632.1 Ų32.156%0.55819%0.185SC*.  trans-62.6130.8177.9-23.134.6000112E1510 A1514 A1515 A1516E1510-P1512 WeakPolarHBondContact O-CD 3.37Å; P1512-A1514 PolarHBondContact O-N 2.87Å; P1512-A1514 VanDerWaalsContact O-N 3.12Å; P1512-A1515 HydrophobicContact CB-CB 4.36Å; P1512-A1515 WeakPolarHBondContact O-CB 3.49Å; P1512-A1515 PolarHBondContact O-N 3.47Å; P1512-A1516 PolarHBondContact O-N 3.36Å
1513V83.4Confident88.7Confident30 Ų3028 Ų2818%0.18217%0.17CC..Hα-helixtrans-49.9-42.1-178.5-173.80000112.4T1434 A1465 H1483 L1511 A1516 A1517T1434-V1513 HydrophobicContact CG2-CG1 4.4Å; A1465-V1513 HydrophobicContact CB-CG1 3.79Å; A1465-V1513 WeakPolarHBondContact CB-O 3.45Å; H1483-V1513 VanDerWaalsContact ND1-CG2 3.29Å; H1483-V1513 WeakPolarHBondContact ND1-CG2 3.31Å; L1511-V1513 PolarHBondContact O-N 2.79Å; V1513-A1516 WeakPolarHBondContact O-CB 3.45Å; V1513-A1516 PolarHBondContact O-N 2.56Å; V1513-A1517 PolarHBondContact O-N 3.14Å
1514A77.6Confident88.7Confident34 Ų3427.4 Ų27.428%0.28117%0.167SC..Hα-helixtrans-65.6-38-179.800000112.9P1512P1512-A1514 PolarHBondContact O-N 2.87Å; P1512-A1514 VanDerWaalsContact O-N 3.12Å
1515A84.1Confident88.6Confident15 Ų1528 Ų2812%0.12417%0.171CC..Hα-helixtrans-72.5-34.7173.400000111.6P1512 A1517 A1518 V1692P1512-A1515 HydrophobicContact CB-CB 4.36Å; P1512-A1515 WeakPolarHBondContact O-CB 3.49Å; P1512-A1515 PolarHBondContact O-N 3.47Å; A1515-A1517 PolarHBondContact O-N 2.83Å; A1515-A1517 VanDerWaalsContact O-N 3.17Å; A1515-A1518 WeakPolarHBondContact O-CB 3.27Å; A1515-A1518 PolarHBondContact O-N 3.37Å; A1515-V1692 HydrophobicContact CB-CG1 4.17Å
1516A91.1Very high88.5Confident0 Ų027.7 Ų27.70%017%0.169CC..Hα-helixtrans-63.1-19.1178.800000114A1465 L1507 L1511 P1512 V1513 P1520 Y1682A1465-A1516 HydrophobicContact CB-CB 4.19Å; L1507-A1516 HydrophobicContact CD1-CB 3.55Å; L1507-A1516 HydrophobicContact CD2-CB 3.75Å; L1507-A1516 HydrophobicContact CG-CB 4.29Å; L1511-A1516 HydrophobicContact CD2-CB 3.79Å; L1511-A1516 HydrophobicContact CG-CB 4.11Å; P1512-A1516 PolarHBondContact O-N 3.36Å; V1513-A1516 WeakPolarHBondContact O-CB 3.45Å; V1513-A1516 PolarHBondContact O-N 2.56Å; A1516-P1520 VanDerWaalsContact O-CD 3.25Å; A1516-P1520 WeakPolarHBondContact O-CD 3.31Å; A1516-Y1682 HydrophobicContact CB-CE1 3.87Å; A1516-Y1682 VanDerWaalsContact O-CE1 3.3Å; A1516-Y1682 WeakPolarHBondContact O-CE1 3.31Å; A1516-Y1682 PolarHBondContact O-OH 2.93Å
1517A91.4Very high88.5Confident0 Ų025.8 Ų25.80%015%0.154CC..THydrogen-bonded Turntrans-72.9-25171.800000113.3A1435 S1437 A1465 V1513 A1515 V1720A1435-A1517 HydrophobicContact CB-CB 3.63Å; S1437-A1517 WeakPolarHBondContact CB-O 3.48Å; A1465-A1517 HydrophobicContact CB-CB 3.91Å; V1513-A1517 PolarHBondContact O-N 3.14Å; A1515-A1517 PolarHBondContact O-N 2.83Å; A1515-A1517 VanDerWaalsContact O-N 3.17Å; A1517-V1720 HydrophobicContact CB-CG1 4.48Å
1518A89.3Confident88.6Confident0 Ų027.2 Ų27.20%016%0.158CC..THydrogen-bonded Turntrans-83.1-22.6-175.900000114.1A1515 P1693 T1695 K1718 V1720A1515-A1518 WeakPolarHBondContact O-CB 3.27Å; A1515-A1518 PolarHBondContact O-N 3.37Å; A1518-P1693 HydrophobicContact CB-CB 4.24Å; A1518-P1693 HydrophobicContact CB-CG 4.36Å; A1518-T1695 HydrophobicContact CB-CG2 3.51Å; A1518-K1718 HydrophobicContact CB-CB 3.9Å; A1518-K1718 HydrophobicContact CB-CG 4.15Å; A1518-K1718 WeakPolarHBondContact O-CE 3.44Å; A1518-V1720 HydrophobicContact CB-CG2 3.95Å
1519V90Very high89Confident0 Ų026.1 Ų26.10%015%0.152CC..SBendtrans-72-49.1-174.2-176.20000113.9A1522 S1523 V1681 Y1682 T1685 P1693V1519-A1522 PolarHBondContact O-N 3.02Å; V1519-S1523 WeakPolarHBondContact O-CB 3.25Å; V1519-S1523 PolarHBondContact O-N 3.23Å; V1519-S1523 PolarHBondContact O-OG 3.12Å; V1519-V1681 HydrophobicContact CG1-CB 4.18Å; V1519-V1681 HydrophobicContact CG1-CG2 3.79Å; V1519-Y1682 HydrophobicContact CB-CD1 4.21Å; V1519-Y1682 HydrophobicContact CB-CE1 3.86Å; V1519-Y1682 HydrophobicContact CG1-CD1 4.15Å; V1519-Y1682 HydrophobicContact CG1-CE1 4.23Å; V1519-Y1682 HydrophobicContact CG2-CD1 4.48Å; V1519-Y1682 HydrophobicContact CG2-CE1 4.29Å; V1519-T1685 HydrophobicContact CG2-CG2 4.32Å; V1519-P1693 HydrophobicContact CG2-CG 4.29Å
1520P89.8Confident89.6Confident0 Ų020.2 Ų20.20%011%0.113CC..Hα-helixtrans-51.1-75.5-161.5-34.240.5000116.3D1463 M1487 A1516 A1522 A1524 L1678 Y1682D1463-P1520 WeakPolarHBondContact OD1-CB 3.33Å; M1487-P1520 HydrophobicContact CG-CB 4.11Å; M1487-P1520 HydrophobicContact SD-CB 4.45Å; A1516-P1520 VanDerWaalsContact O-CD 3.25Å; A1516-P1520 WeakPolarHBondContact O-CD 3.31Å; P1520-A1522 VanDerWaalsContact C-N 3.26Å; P1520-A1522 PolarHBondContact O-N 2.82Å; P1520-A1524 WeakPolarHBondContact O-CB 3.47Å; P1520-A1524 PolarHBondContact O-N 3.29Å; P1520-L1678 HydrophobicContact CB-CD2 3.7Å; P1520-L1678 HydrophobicContact CG-CD2 4.08Å; P1520-Y1682 HydrophobicContact CG-CE1 4.42Å; P1520-Y1682 WeakPolarHBondContact CG-OH 3.45Å
1521T90.5Very high89.9Confident25 Ų2518.5 Ų18.515%0.15311%0.105CC..Hα-helixtrans-56.1-39.1-174.4-730000113.1N1439 D1463 M1487 T1525N1439-T1521 WeakPolarHBondContact OD1-CG2 3.39Å; D1463-T1521 VanDerWaalsContact OD1-CB 3.24Å; D1463-T1521 WeakPolarHBondContact OD1-CB 3.35Å; D1463-T1521 PolarHBondContact OD1-N 3.24Å; D1463-T1521 PolarHBondContact OD1-OG1 3.05Å; D1463-T1521 WeakPolarHBondContact OD2-CB 2.89Å; D1463-T1521 PolarHBondContact OD2-OG1 2.81Å; M1487-T1521 WeakPolarHBondContact CE-OG1 3.22Å; T1521-T1525 WeakPolarHBondContact O-CB 3.29Å; T1521-T1525 PolarHBondContact O-N 2.96Å; T1521-T1525 PolarHBondContact O-OG1 3.4Å
1522A88.6Confident90.2Very high2 Ų219.7 Ų19.72%0.01711%0.111CC..Hα-helixtrans-72.7-56.8-176.900000112.5V1519 P1520 A1526V1519-A1522 PolarHBondContact O-N 3.02Å; P1520-A1522 VanDerWaalsContact C-N 3.26Å; P1520-A1522 PolarHBondContact O-N 2.82Å; A1522-A1526 WeakPolarHBondContact O-CB 3.35Å; A1522-A1526 PolarHBondContact O-N 3.18Å; A1522-A1526 VanDerWaalsContact O-N 3.07Å
1523S91.1Very high90.6Very high4 Ų417 Ų173%0.0289%0.092CC..Hα-helixtrans-72.6-37-174.7-580000112V1519 A1526 W1527V1519-S1523 WeakPolarHBondContact O-CB 3.25Å; V1519-S1523 PolarHBondContact O-N 3.23Å; V1519-S1523 PolarHBondContact O-OG 3.12Å; S1523-A1526 PolarHBondContact O-N 2.8Å; S1523-W1527 WeakPolarHBondContact O-CB 3.14Å; S1523-W1527 PolarHBondContact O-N 2.65Å
1524A93Very high91.2Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-68.5-37.2177.800000111.9P1520 Y1528 L1663 L1677P1520-A1524 WeakPolarHBondContact O-CB 3.47Å; P1520-A1524 PolarHBondContact O-N 3.29Å; A1524-Y1528 VanDerWaalsContact O-CB 3.23Å; A1524-Y1528 WeakPolarHBondContact O-CB 3.13Å; A1524-Y1528 PolarHBondContact O-N 2.76Å; A1524-L1663 HydrophobicContact CB-CD2 3.94Å; A1524-L1677 HydrophobicContact CB-CB 4.1Å
1525T92.9Very high92Very high12 Ų1221.2 Ų21.27%0.07410%0.097CC..Hα-helixtrans-64.2-50.3173.1-58.20000110.8T1521 W1527 Y1528 A1529 V1551 I1636 L1663T1521-T1525 WeakPolarHBondContact O-CB 3.29Å; T1521-T1525 PolarHBondContact O-N 2.96Å; T1521-T1525 PolarHBondContact O-OG1 3.4Å; T1525-W1527 PolarHBondContact O-N 3.26Å; T1525-Y1528 PolarHBondContact O-N 2.63Å; T1525-A1529 WeakPolarHBondContact O-CB 3.46Å; T1525-A1529 PolarHBondContact O-N 3.06Å; T1525-V1551 HydrophobicContact CG2-CG1 4.04Å; T1525-I1636 HydrophobicContact CG2-CB 4.29Å; T1525-I1636 HydrophobicContact CG2-CD1 4.44Å; T1525-I1636 HydrophobicContact CG2-CG2 3.57Å; T1525-L1663 WeakPolarHBondContact OG1-CD2 3.39Å
1526A93Very high92.6Very high0 Ų021.5 Ų21.50%010%0.097CC..Hα-helixtrans-63.1-40.6-179.600000112.7A1522 S1523 L1530 V1551 A1554 A1555 I1558A1522-A1526 WeakPolarHBondContact O-CB 3.35Å; A1522-A1526 PolarHBondContact O-N 3.18Å; A1522-A1526 VanDerWaalsContact O-N 3.07Å; S1523-A1526 PolarHBondContact O-N 2.8Å; A1526-L1530 WeakPolarHBondContact O-CB 3.4Å; A1526-L1530 PolarHBondContact O-N 2.78Å; A1526-V1551 HydrophobicContact CB-CG1 4.02Å; A1526-A1554 HydrophobicContact CB-CB 3.72Å; A1526-A1555 HydrophobicContact CB-CB 4.13Å; A1526-I1558 HydrophobicContact CB-CD1 3.75Å
1527W93.9Very high92.7Very high29 Ų2925 Ų2511%0.1112%0.12CC..Hα-helixtrans-66.9-48.4177.2-168-75.1000111.8S1523 T1525 A1529 H1531 D1532 I1558 L1677 T1680 V1681 H1684 L1690S1523-W1527 WeakPolarHBondContact O-CB 3.14Å; S1523-W1527 PolarHBondContact O-N 2.65Å; T1525-W1527 PolarHBondContact O-N 3.26Å; W1527-A1529 VanDerWaalsContact C-N 3.3Å; W1527-A1529 PolarHBondContact O-N 2.81Å; W1527-H1531 HydrophobicContact CD2-CB 4.26Å; W1527-H1531 AromaticContact CE2-CD2 3.98Å; W1527-H1531 AromaticContact CE2-CG 3.63Å; W1527-H1531 AromaticContact CE2-ND1 3.9Å; W1527-H1531 HydrophobicContact CG-CB 4.3Å; W1527-H1531 HydrophobicContact CZ2-CB 4.27Å; W1527-H1531 AromaticContact CZ2-CD2 3.6Å; W1527-H1531 AromaticContact CZ2-CG 3.76Å; W1527-H1531 AromaticContact CZ2-NE2 3.9Å; W1527-H1531 AromaticContact NE1-CE1 3.97Å; W1527-H1531 AromaticContact NE1-CG 3.4Å; W1527-H1531 AromaticContact NE1-ND1 3.28Å; W1527-H1531 PolarHBondContact NE1-ND1 2.8Å; W1527-H1531 WeakPolarHBondContact O-CA 3.46Å; W1527-H1531 VanDerWaalsContact O-CB 3.31Å; W1527-H1531 WeakPolarHBondContact O-CB 3.45Å; W1527-H1531 PolarHBondContact O-N 2.93Å; W1527-D1532 PolarHBondContact O-N 2.87Å; W1527-I1558 HydrophobicContact CB-CD1 4.2Å; W1527-I1558 HydrophobicContact CE3-CD1 4.07Å; W1527-I1558 HydrophobicContact CE3-CG1 4.04Å; W1527-I1558 HydrophobicContact CZ3-CG1 4.39Å; W1527-L1677 HydrophobicContact CG-CD2 4.48Å; W1527-T1680 HydrophobicContact CD2-CG2 3.96Å; W1527-T1680 VanDerWaalsContact CE2-CG2 3.48Å; W1527-T1680 HydrophobicContact CG-CG2 4.43Å; W1527-T1680 HydrophobicContact CH2-CG2 4.31Å; W1527-T1680 HydrophobicContact CZ2-CG2 3.69Å; W1527-V1681 HydrophobicContact CB-CG1 3.93Å; W1527-V1681 HydrophobicContact CG-CG1 4.29Å; W1527-H1684 AromaticContact CH2-CD2 3.19Å; W1527-H1684 WeakPolarHBondContact CH2-CD2 3.36Å; W1527-H1684 AromaticContact CH2-NE2 3.48Å; W1527-H1684 WeakPolarHBondContact CH2-NE2 3.4Å; W1527-H1684 AromaticContact CZ2-CD2 3.79Å; W1527-H1684 AromaticContact CZ2-NE2 3.85Å; W1527-H1684 HydrophobicContact CZ3-CB 4.48Å; W1527-H1684 AromaticContact CZ3-CD2 3.49Å; W1527-H1684 VanDerWaalsContact CZ3-CD2 3.49Å; W1527-H1684 WeakPolarHBondContact CZ3-CD2 3.49Å; W1527-L1690 HydrophobicContact CE3-CD1 4.16Å; W1527-L1690 HydrophobicContact CE3-CD2 4.28Å; W1527-L1690 HydrophobicContact CE3-CG 4.5Å; W1527-L1690 HydrophobicContact CZ3-CD1 4.42Å; W1527-L1690 HydrophobicContact CZ3-CD2 4.36Å; W1527-L1690 HydrophobicContact CZ3-CG 4.4Å
1528Y94.8Very high92.7Very high45 Ų4528.2 Ų28.218%0.17614%0.143CC..Iπ-helixtrans-61.9-41.6178.5-168.9-119.4000111.4A1524 T1525 D1532 L1533 V1661 L1666 T1673 L1677A1524-Y1528 VanDerWaalsContact O-CB 3.23Å; A1524-Y1528 WeakPolarHBondContact O-CB 3.13Å; A1524-Y1528 PolarHBondContact O-N 2.76Å; T1525-Y1528 PolarHBondContact O-N 2.63Å; Y1528-D1532 HydrophobicContact CD2-CB 3.71Å; Y1528-D1532 WeakPolarHBondContact CD2-OD2 3.43Å; Y1528-D1532 HydrophobicContact CE2-CB 4.14Å; Y1528-D1532 PolarHBondContact O-N 3.4Å; Y1528-L1533 HydrophobicContact CD1-CD1 3.72Å; Y1528-L1533 HydrophobicContact CD1-CG 4.29Å; Y1528-L1533 HydrophobicContact CE1-CD1 3.61Å; Y1528-L1533 HydrophobicContact CE1-CD2 4.34Å; Y1528-L1533 HydrophobicContact CE1-CG 4.11Å; Y1528-L1533 HydrophobicContact CG-CD1 4.41Å; Y1528-L1533 WeakPolarHBondContact O-CB 3.24Å; Y1528-L1533 VanDerWaalsContact O-CG 3.31Å; Y1528-L1533 WeakPolarHBondContact O-CG 3.48Å; Y1528-L1533 PolarHBondContact O-N 3.33Å; Y1528-V1661 HydrophobicContact CD1-CG1 3.98Å; Y1528-V1661 HydrophobicContact CD1-CG2 4.41Å; Y1528-L1666 HydrophobicContact CD1-CD1 4Å; Y1528-L1666 HydrophobicContact CE1-CD1 3.62Å; Y1528-T1673 HydrophobicContact CD2-CG2 4.5Å; Y1528-T1673 HydrophobicContact CE2-CG2 3.92Å; Y1528-L1677 HydrophobicContact CD2-CD1 3.78Å; Y1528-L1677 HydrophobicContact CD2-CD2 4.08Å; Y1528-L1677 HydrophobicContact CD2-CG 4.41Å; Y1528-L1677 HydrophobicContact CG-CD1 3.9Å; Y1528-L1677 HydrophobicContact CG-CD2 4.43Å
1529A95.4Very high92.8Very high0 Ų034.9 Ų34.90%018%0.178CC..Iπ-helixtrans-61.8-57.1176.300000113.2T1525 W1527 A1534 L1612 V1634T1525-A1529 WeakPolarHBondContact O-CB 3.46Å; T1525-A1529 PolarHBondContact O-N 3.06Å; W1527-A1529 VanDerWaalsContact C-N 3.3Å; W1527-A1529 PolarHBondContact O-N 2.81Å; A1529-A1534 WeakPolarHBondContact O-CB 3.47Å; A1529-A1534 PolarHBondContact O-N 2.89Å; A1529-L1612 HydrophobicContact CB-CD1 3.78Å; A1529-V1634 HydrophobicContact CB-CB 4.37Å; A1529-V1634 HydrophobicContact CB-CG1 3.69Å
1530L95Very high93.1Very high0 Ų035.5 Ų35.50%018%0.182CC..Iπ-helixtrans-84.1-44.3-171.4-66.4-173000113.8A1526 A1534 R1535 I1536 V1542 A1555 I1558 A1559 V1610 L1612A1526-L1530 WeakPolarHBondContact O-CB 3.4Å; A1526-L1530 PolarHBondContact O-N 2.78Å; L1530-A1534 CarbonylContact O-C 3.54Å; L1530-R1535 PolarHBondContact O-N 2.93Å; L1530-I1536 HydrophobicContact CB-CD1 4.14Å; L1530-I1536 HydrophobicContact CB-CG1 4.42Å; L1530-I1536 HydrophobicContact CB-CG2 4.24Å; L1530-I1536 HydrophobicContact CD2-CG2 4.32Å; L1530-I1536 PolarHBondContact O-N 3.29Å; L1530-I1536 VanDerWaalsContact O-N 3.11Å; L1530-V1542 HydrophobicContact CD1-CG1 4.49Å; L1530-V1542 HydrophobicContact CD2-CG1 3.94Å; L1530-A1555 HydrophobicContact CD1-CB 3.81Å; L1530-A1555 WeakPolarHBondContact CD1-O 3.34Å; L1530-I1558 HydrophobicContact CB-CG2 3.96Å; L1530-I1558 HydrophobicContact CD1-CB 4.26Å; L1530-I1558 HydrophobicContact CD1-CG2 4.07Å; L1530-A1559 HydrophobicContact CD1-CB 4.48Å; L1530-V1610 HydrophobicContact CD2-CG1 3.93Å; L1530-L1612 HydrophobicContact CD2-CB 4.44Å
1531H91.6Very high93.5Very high95 Ų9537.4 Ų37.444%0.4419%0.19SC..Iπ-helixtrans-85.8-48.9-174.6177-79.8000112W1527 R1535W1527-H1531 HydrophobicContact CD2-CB 4.26Å; W1527-H1531 AromaticContact CE2-CD2 3.98Å; W1527-H1531 AromaticContact CE2-CG 3.63Å; W1527-H1531 AromaticContact CE2-ND1 3.9Å; W1527-H1531 HydrophobicContact CG-CB 4.3Å; W1527-H1531 HydrophobicContact CZ2-CB 4.27Å; W1527-H1531 AromaticContact CZ2-CD2 3.6Å; W1527-H1531 AromaticContact CZ2-CG 3.76Å; W1527-H1531 AromaticContact CZ2-NE2 3.9Å; W1527-H1531 AromaticContact NE1-CE1 3.97Å; W1527-H1531 AromaticContact NE1-CG 3.4Å; W1527-H1531 AromaticContact NE1-ND1 3.28Å; W1527-H1531 PolarHBondContact NE1-ND1 2.8Å; W1527-H1531 WeakPolarHBondContact O-CA 3.46Å; W1527-H1531 VanDerWaalsContact O-CB 3.31Å; W1527-H1531 WeakPolarHBondContact O-CB 3.45Å; W1527-H1531 PolarHBondContact O-N 2.93Å; H1531-R1535 WeakPolarHBondContact O-CA 3.41Å
1532D91.6Very high93.8Very high37 Ų3736.2 Ų36.220%0.19818%0.183CC..Iπ-helixtrans-83.8-37.7-172.5-68.64.9000113.2W1527 Y1528 R1676W1527-D1532 PolarHBondContact O-N 2.87Å; Y1528-D1532 HydrophobicContact CD2-CB 3.71Å; Y1528-D1532 WeakPolarHBondContact CD2-OD2 3.43Å; Y1528-D1532 HydrophobicContact CE2-CB 4.14Å; Y1528-D1532 PolarHBondContact O-N 3.4Å; D1532-R1676 IonicContact OD1-NH1 3.37Å; D1532-R1676 IonicContact OD2-CZ 3.13Å; D1532-R1676 IonicContact OD2-NH1 3.71Å; D1532-R1676 PolarHBondContact OD2-NH1 3.14Å; D1532-R1676 IonicContact OD2-NH2 2.75Å; D1532-R1676 PolarHBondContact OD2-NH2 3.37Å
1533L95.3Very high94.3Very high28 Ų2836.1 Ų36.115%0.14718%0.182CC..Iπ-helixtrans-96.1-59.4-177.4-63.5172.1000112.7Y1528 R1535 Y1659 V1661Y1528-L1533 HydrophobicContact CD1-CD1 3.72Å; Y1528-L1533 HydrophobicContact CD1-CG 4.29Å; Y1528-L1533 HydrophobicContact CE1-CD1 3.61Å; Y1528-L1533 HydrophobicContact CE1-CD2 4.34Å; Y1528-L1533 HydrophobicContact CE1-CG 4.11Å; Y1528-L1533 HydrophobicContact CG-CD1 4.41Å; Y1528-L1533 WeakPolarHBondContact O-CB 3.24Å; Y1528-L1533 VanDerWaalsContact O-CG 3.31Å; Y1528-L1533 WeakPolarHBondContact O-CG 3.48Å; Y1528-L1533 PolarHBondContact O-N 3.33Å; L1533-R1535 VanDerWaalsContact C-N 3.33Å; L1533-R1535 PolarHBondContact O-N 2.86Å; L1533-Y1659 HydrophobicContact CB-CD1 4.31Å; L1533-Y1659 HydrophobicContact CB-CD2 4.22Å; L1533-Y1659 HydrophobicContact CB-CE2 4.49Å; L1533-Y1659 HydrophobicContact CB-CG 4.11Å; L1533-Y1659 HydrophobicContact CD1-CG 4.38Å; L1533-Y1659 HydrophobicContact CD2-CD1 3.87Å; L1533-Y1659 HydrophobicContact CD2-CE1 4.19Å; L1533-Y1659 HydrophobicContact CD2-CG 4.4Å; L1533-Y1659 HydrophobicContact CG-CD1 4.48Å; L1533-V1661 HydrophobicContact CD1-CG2 3.45Å; L1533-V1661 VanDerWaalsContact CD1-CG2 3.45Å
1534A95.3Very high94.5Very high0 Ų035.9 Ų35.90%018%0.181CC..SBendtrans-73-24.217900000113.2A1529 L1530 I1536 V1610 R1632 V1634A1529-A1534 WeakPolarHBondContact O-CB 3.47Å; A1529-A1534 PolarHBondContact O-N 2.89Å; L1530-A1534 CarbonylContact O-C 3.54Å; A1534-I1536 HydrophobicContact CB-CG2 4.45Å; A1534-I1536 PolarHBondContact O-N 2.87Å; A1534-V1610 HydrophobicContact CB-CG1 3.71Å; A1534-V1610 HydrophobicContact CB-CG2 4.16Å; A1534-R1632 HydrophobicContact CB-CB 4.23Å; A1534-R1632 WeakPolarHBondContact O-CD 3.27Å; A1534-R1632 PolarHBondContact O-NH1 2.89Å; A1534-V1634 HydrophobicContact CB-CG2 4.28Å
1535R94.9Very high94.6Very high153 Ų15336.2 Ų36.258%0.57718%0.182SC*.  trans53.553.9177.1-57167.3-62.8-145.1-2.7112.1L1530 H1531 L1533L1530-R1535 PolarHBondContact O-N 2.93Å; H1531-R1535 WeakPolarHBondContact O-CA 3.41Å; L1533-R1535 VanDerWaalsContact C-N 3.33Å; L1533-R1535 PolarHBondContact O-N 2.86Å
1536I95.9Very high94.2Very high21 Ų2137.6 Ų37.611%0.10819%0.192CC..  trans-55.2142.8-175.656167.3000113.5L1530 A1534 D1540 V1542 I1558 A1562 V1610L1530-I1536 HydrophobicContact CB-CD1 4.14Å; L1530-I1536 HydrophobicContact CB-CG1 4.42Å; L1530-I1536 HydrophobicContact CB-CG2 4.24Å; L1530-I1536 HydrophobicContact CD2-CG2 4.32Å; L1530-I1536 PolarHBondContact O-N 3.29Å; L1530-I1536 VanDerWaalsContact O-N 3.11Å; A1534-I1536 HydrophobicContact CB-CG2 4.45Å; A1534-I1536 PolarHBondContact O-N 2.87Å; I1536-D1540 VanDerWaalsContact CA-OD2 3.27Å; I1536-D1540 WeakPolarHBondContact CA-OD2 3.39Å; I1536-V1542 HydrophobicContact CG2-CG2 4.07Å; I1536-I1558 HydrophobicContact CD1-CG2 3.77Å; I1536-A1562 HydrophobicContact CD1-CB 3.56Å; I1536-A1562 HydrophobicContact CG1-CB 4.02Å; I1536-V1610 HydrophobicContact CG2-CG2 4.09Å
1537C93.1Very high93.8Very high74 Ų7437.6 Ų37.650%0.519%0.192SC..  trans-122.6166175.1-67.60000110.9D1539 D1540 C1564C1537-D1539 PolarHBondContact O-N 2.89Å; C1537-D1540 PolarHBondContact N-OD2 3.23Å; C1537-D1540 WeakPolarHBondContact O-CB 3.2Å; C1537-D1540 PolarHBondContact O-N 3.38Å; C1537-D1540 VanDerWaalsContact O-N 3.15Å; C1537-C1564 PolarHBondContact O-SG 3.16Å
1538S92.7Very high93.3Very high68 Ų6836.5 Ų36.548%0.47619%0.188SC..THydrogen-bonded Turntrans-55.8-26.1-177.849.40000114.8A1562 G1563S1538-A1562 VanDerWaalsContact CA-O 3.28Å; S1538-A1562 WeakPolarHBondContact CA-O 3.3Å; S1538-G1563 CarbonylContact O-C 3.56Å; S1538-G1563 VanDerWaalsContact O-O 3.12Å
1539D89.8Confident92.5Very high139 Ų13935.3 Ų35.374%0.74319%0.19SC*.THydrogen-bonded Turntrans-97.1-3.4-170.6-51.1-0.2000111.5C1537C1537-D1539 PolarHBondContact O-N 2.89Å
1540D96.6Very high91.7Very high14 Ų1436.2 Ų36.28%0.07520%0.199CC..  trans-76.5137-180-76.1-32.9000112.3I1536 C1537 V1542 C1564 E1565 D1609 R1632I1536-D1540 VanDerWaalsContact CA-OD2 3.27Å; I1536-D1540 WeakPolarHBondContact CA-OD2 3.39Å; C1537-D1540 PolarHBondContact N-OD2 3.23Å; C1537-D1540 WeakPolarHBondContact O-CB 3.2Å; C1537-D1540 PolarHBondContact O-N 3.38Å; C1537-D1540 VanDerWaalsContact O-N 3.15Å; D1540-V1542 HydrophobicContact CB-CG2 4.28Å; D1540-C1564 WeakPolarHBondContact O-CA 3.05Å; D1540-C1564 WeakPolarHBondContact O-CB 3.3Å; D1540-E1565 PolarHBondContact O-N 2.91Å; D1540-D1609 HydrophobicContact CB-CB 4.2Å; D1540-R1632 IonicContact OD1-CZ 3.19Å; D1540-R1632 IonicContact OD1-NH1 2.71Å; D1540-R1632 IonicContact OD1-NH2 2.77Å; D1540-R1632 PolarHBondContact OD1-NH2 3.37Å; D1540-R1632 IonicContact OD2-CZ 3.94Å; D1540-R1632 IonicContact OD2-NH1 3.7Å; D1540-R1632 PolarHBondContact OD2-NH1 2.94Å; D1540-R1632 IonicContact OD2-NH2 2.74Å; D1540-R1632 PolarHBondContact OD2-NH2 3.08Å
1541K98Very high91.3Very high39 Ų3937.8 Ų37.817%0.1721%0.209CC..EExtended strand (participates in β ladder)trans-86.5123.9161.9-67.5170.4166470110E1565 F1567 T1603 Y1606 V1608 D1609 V1610K1541-E1565 WeakPolarHBondContact CA-O 3.44Å; K1541-E1565 WeakPolarHBondContact CE-OE1 3.4Å; K1541-E1565 WeakPolarHBondContact CE-OE2 3.34Å; K1541-E1565 HydrophobicContact CG-CB 4.05Å; K1541-E1565 HydrophobicContact CG-CG 4.35Å; K1541-E1565 IonicContact NZ-OE1 3.9Å; K1541-E1565 PolarHBondContact NZ-OE1 3.04Å; K1541-E1565 IonicContact NZ-OE2 3.67Å; K1541-E1565 PolarHBondContact NZ-OE2 3.18Å; K1541-F1567 HydrophobicContact CB-CD2 4.28Å; K1541-F1567 HydrophobicContact CB-CE2 3.91Å; K1541-F1567 HydrophobicContact CD-CE2 4.18Å; K1541-F1567 HydrophobicContact CD-CZ 4.48Å; K1541-F1567 HydrophobicContact CG-CE2 3.87Å; K1541-T1603 HydrophobicContact CD-CG2 4.17Å; K1541-Y1606 HydrophobicContact CD-CD1 3.87Å; K1541-Y1606 HydrophobicContact CD-CE1 4.15Å; K1541-V1608 HydrophobicContact CB-CB 4.12Å; K1541-V1608 HydrophobicContact CB-CG1 4.16Å; K1541-D1609 WeakPolarHBondContact CB-OD2 3.45Å; K1541-D1609 PolarHBondContact N-OD2 2.98Å; K1541-D1609 PolarHBondContact O-N 3.08Å; K1541-V1610 PolarHBondContact O-N 2.79Å
1542V97.7Very high91.2Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-119.9115.3-174.5-173.60000110.8L1530 I1536 D1540 I1544 A1559 C1564 E1565 F1567 V1610L1530-V1542 HydrophobicContact CD1-CG1 4.49Å; L1530-V1542 HydrophobicContact CD2-CG1 3.94Å; I1536-V1542 HydrophobicContact CG2-CG2 4.07Å; D1540-V1542 HydrophobicContact CB-CG2 4.28Å; V1542-I1544 HydrophobicContact CG1-CD1 4.3Å; V1542-I1544 HydrophobicContact CG1-CG1 3.95Å; V1542-A1559 HydrophobicContact CB-CB 4.47Å; V1542-A1559 HydrophobicContact CG2-CB 4.49Å; V1542-C1564 HydrophobicContact CG2-CB 3.85Å; V1542-E1565 PolarHBondContact N-O 2.75Å; V1542-F1567 PolarHBondContact O-N 2.95Å; V1542-F1567 VanDerWaalsContact O-O 3.14Å; V1542-V1610 WeakPolarHBondContact CA-O 3.37Å; V1542-V1610 HydrophobicContact CG1-CB 4.2Å; V1542-V1610 HydrophobicContact CG1-CG1 4.28Å; V1542-V1610 HydrophobicContact CG2-CB 4.21Å; V1542-V1610 HydrophobicContact CG2-CG2 4.49Å
1543L98.2Very high90.9Very high0 Ų033.8 Ų33.80%019%0.19CC..EExtended strand (participates in β ladder)trans-88.5126.5170.317858.4000111.3F1567 T1569 F1595 I1599 V1608 V1610 V1611 L1612 L1626L1543-F1567 CarbonylContact C-O 3.6Å; L1543-F1567 VanDerWaalsContact CA-O 3.32Å; L1543-F1567 WeakPolarHBondContact CA-O 3.19Å; L1543-F1567 HydrophobicContact CB-CB 4.36Å; L1543-F1567 HydrophobicContact CD1-CB 3.86Å; L1543-T1569 HydrophobicContact CD1-CG2 4.02Å; L1543-F1595 HydrophobicContact CD2-CD2 4.21Å; L1543-F1595 HydrophobicContact CD2-CE2 4.03Å; L1543-I1599 HydrophobicContact CD1-CD1 3.63Å; L1543-I1599 HydrophobicContact CD2-CD1 3.81Å; L1543-I1599 HydrophobicContact CG-CD1 4.31Å; L1543-V1608 HydrophobicContact CB-CG1 4.39Å; L1543-V1608 HydrophobicContact CB-CG2 3.96Å; L1543-V1610 PolarHBondContact N-O 3Å; L1543-V1611 HydrophobicContact CB-CG1 4.47Å; L1543-V1611 HydrophobicContact CB-CG2 4.11Å; L1543-V1611 HydrophobicContact CD2-CG1 4.24Å; L1543-V1611 HydrophobicContact CD2-CG2 4.22Å; L1543-V1611 HydrophobicContact CG-CG1 4.39Å; L1543-V1611 WeakPolarHBondContact O-CA 3.27Å; L1543-L1612 PolarHBondContact O-N 2.61Å; L1543-L1626 HydrophobicContact CD2-CD2 3.63Å
1544I96.1Very high90.6Very high0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-119108.1-178-58.4174000109.5V1542 A1555 I1556 I1566 F1567 A1568 T1569V1542-I1544 HydrophobicContact CG1-CD1 4.3Å; V1542-I1544 HydrophobicContact CG1-CG1 3.95Å; I1544-A1555 HydrophobicContact CD1-CB 3.8Å; I1544-A1555 HydrophobicContact CG1-CB 4.3Å; I1544-A1555 HydrophobicContact CG2-CB 4.01Å; I1544-I1556 HydrophobicContact CD1-CB 4.33Å; I1544-I1556 HydrophobicContact CD1-CG1 3.65Å; I1544-I1556 HydrophobicContact CG2-CG1 4.5Å; I1544-I1566 HydrophobicContact CD1-CG2 4.2Å; I1544-F1567 PolarHBondContact N-O 2.89Å; I1544-A1568 WeakPolarHBondContact O-CA 3.32Å; I1544-T1569 PolarHBondContact O-N 3.33Å
1545H94.2Very high90.4Very high7 Ų732.9 Ų32.93%0.03219%0.187CC..THydrogen-bonded Turntrans-74.8148.4174-72.4-68.9000112.4G1547 T1569 F1595 L1612 N1613 L1615H1545-G1547 VanDerWaalsContact C-N 3.28Å; H1545-G1547 PolarHBondContact O-N 2.89Å; H1545-T1569 WeakPolarHBondContact CA-OG1 3.4Å; H1545-T1569 PolarHBondContact ND1-OG1 2.82Å; H1545-F1595 AromaticContact CE1-CE1 3.83Å; H1545-F1595 AromaticContact CE1-CE2 3.51Å; H1545-F1595 AromaticContact CE1-CZ 3.41Å; H1545-F1595 VanDerWaalsContact CE1-CZ 3.41Å; H1545-F1595 WeakPolarHBondContact CE1-CZ 3.34Å; H1545-F1595 AromaticContact NE2-CE2 3.88Å; H1545-F1595 AromaticContact NE2-CZ 3.89Å; H1545-L1612 WeakPolarHBondContact CB-O 3.19Å; H1545-L1612 PolarHBondContact N-O 2.85Å; H1545-N1613 PolarHBondContact CD2-OD1 3.14Å; H1545-L1615 HydrophobicContact CB-CD1 4.27Å; H1545-L1615 HydrophobicContact CB-CG 4.03Å; H1545-L1615 WeakPolarHBondContact ND1-CD1 2.95Å
1546S85.2Confident90.3Very high40 Ų4025.7 Ų25.728%0.2816%0.16SC..THydrogen-bonded Turntrans53.142.7-175.8-56.40000113.1T1548 G1549 T1569 S1614S1546-T1548 PolarHBondContact O-N 3.31Å; S1546-G1549 PolarHBondContact O-N 3.09Å; S1546-T1569 WeakPolarHBondContact CA-O 3.17Å; S1546-T1569 PolarHBondContact N-O 2.68Å; S1546-S1614 PolarHBondContact OG-OG 3Å; S1546-S1614 VanDerWaalsContact OG-OG 3.09Å
1547G85.4Confident90Very high0 Ų025.5 Ų25.50%016%0.162CC..THydrogen-bonded Turntrans-56.5-22.2-167.900000115.9H1545 G1552 Q1553 I1556 T1569H1545-G1547 VanDerWaalsContact C-N 3.28Å; H1545-G1547 PolarHBondContact O-N 2.89Å; G1547-G1552 CarbonylContact O-C 3.41Å; G1547-Q1553 PolarHBondContact O-N 3.36Å; G1547-Q1553 PolarHBondContact O-NE2 3.05Å; G1547-I1556 WeakPolarHBondContact O-CD1 3.44Å; G1547-T1569 PolarHBondContact N-O 2.99Å
1548T82.9Confident90Very high6 Ų622.4 Ų22.44%0.03714%0.14CC..THydrogen-bonded Turntrans-88.4-1.1175.646.60000114.8S1546 R1575 L1578 L1579S1546-T1548 PolarHBondContact O-N 3.31Å; T1548-R1575 HydrophobicContact CG2-CB 4Å; T1548-R1575 HydrophobicContact CG2-CG 4.36Å; T1548-R1575 VanDerWaalsContact CG2-O 3.22Å; T1548-R1575 WeakPolarHBondContact CG2-O 3.29Å; T1548-R1575 PolarHBondContact O-NH1 2.95Å; T1548-R1575 WeakPolarHBondContact OG1-CD 3.18Å; T1548-R1575 PolarHBondContact OG1-NH1 3.09Å; T1548-L1578 HydrophobicContact CG2-CB 4.41Å; T1548-L1578 HydrophobicContact CG2-CD2 4.02Å; T1548-L1578 HydrophobicContact CG2-CG 4.42Å; T1548-L1579 HydrophobicContact CG2-CD1 4.07Å; T1548-L1579 HydrophobicContact CG2-CD2 3.89Å; T1548-L1579 HydrophobicContact CG2-CG 3.68Å
1549G78.1Confident90Very high21 Ų2119.1 Ų19.122%0.21612%0.117CC..SBendtrans-87159.4169.800000111.7S1546 V1551 G1552 Q1553S1546-G1549 PolarHBondContact O-N 3.09Å; G1549-V1551 VanDerWaalsContact C-N 3.32Å; G1549-V1551 PolarHBondContact O-N 2.8Å; G1549-V1551 VanDerWaalsContact O-N 3.16Å; G1549-G1552 WeakPolarHBondContact O-CA 3.29Å; G1549-G1552 PolarHBondContact O-N 2.95Å; G1549-Q1553 WeakPolarHBondContact O-CG 3.49Å; G1549-Q1553 PolarHBondContact O-N 2.84Å
1550G78.8Confident90.1Very high18 Ų1818.1 Ų18.119%0.18610%0.103CC..Hα-helixtrans-54-38.6-171.300000115.9A1554G1550-A1554 PolarHBondContact O-N 3.39Å
1551V86.9Confident89.7Confident33 Ų3320.7 Ų20.720%0.213%0.126CC..Hα-helixtrans-68-44.3174.8-172.50000110.8T1525 A1526 G1549 Q1553 A1554 A1555 L1612 I1636T1525-V1551 HydrophobicContact CG2-CG1 4.04Å; A1526-V1551 HydrophobicContact CB-CG1 4.02Å; G1549-V1551 VanDerWaalsContact C-N 3.32Å; G1549-V1551 PolarHBondContact O-N 2.8Å; G1549-V1551 VanDerWaalsContact O-N 3.16Å; V1551-Q1553 PolarHBondContact O-N 2.78Å; V1551-A1554 PolarHBondContact O-N 3.32Å; V1551-A1555 VanDerWaalsContact O-CB 3.3Å; V1551-A1555 WeakPolarHBondContact O-CB 3.3Å; V1551-A1555 PolarHBondContact O-N 3.45Å; V1551-L1612 HydrophobicContact CG1-CD2 4.47Å; V1551-I1636 HydrophobicContact CB-CD1 4.27Å; V1551-I1636 HydrophobicContact CG1-CD1 3.8Å; V1551-I1636 HydrophobicContact CG2-CD1 4.46Å
1552G87.8Confident89.3Confident4 Ų420.7 Ų20.74%0.04113%0.133CC..Hα-helixtrans-62.3-39.8177.900000113G1547 G1549 A1555 I1556G1547-G1552 CarbonylContact O-C 3.41Å; G1549-G1552 WeakPolarHBondContact O-CA 3.29Å; G1549-G1552 PolarHBondContact O-N 2.95Å; G1552-A1555 PolarHBondContact O-N 2.82Å; G1552-I1556 VanDerWaalsContact O-CG1 3.24Å; G1552-I1556 WeakPolarHBondContact O-CG1 3.32Å; G1552-I1556 PolarHBondContact O-N 3Å
1553Q86.4Confident89Confident44 Ų4423 Ų2321%0.20616%0.157CC..Hα-helixtrans-61.9-45.3174.6-67-72.3-75.900112.1G1547 G1549 V1551 A1557 M1582G1547-Q1553 PolarHBondContact O-N 3.36Å; G1547-Q1553 PolarHBondContact O-NE2 3.05Å; G1549-Q1553 WeakPolarHBondContact O-CG 3.49Å; G1549-Q1553 PolarHBondContact O-N 2.84Å; V1551-Q1553 PolarHBondContact O-N 2.78Å; Q1553-A1557 PolarHBondContact O-N 3.37Å; Q1553-M1582 VanDerWaalsContact NE2-CE 3.33Å; Q1553-M1582 PolarHBondContact NE2-SD 3.01Å; Q1553-M1582 PolarHBondContact OE1-SD 3.41Å
1554A88.3Confident88.9Confident9 Ų923.5 Ų23.57%0.07416%0.16CC..Hα-helixtrans-65.2-41.1174.900000111.6A1526 G1550 V1551 A1557 I1558A1526-A1554 HydrophobicContact CB-CB 3.72Å; G1550-A1554 PolarHBondContact O-N 3.39Å; V1551-A1554 PolarHBondContact O-N 3.32Å; A1554-A1557 PolarHBondContact O-N 2.86Å; A1554-I1558 WeakPolarHBondContact O-CD1 3.47Å; A1554-I1558 VanDerWaalsContact O-CG1 3.26Å; A1554-I1558 WeakPolarHBondContact O-CG1 3.23Å; A1554-I1558 PolarHBondContact O-N 3.3Å
1555A92.4Very high88.9Confident0 Ų027.2 Ų27.20%018%0.178CC..Hα-helixtrans-62.5-42.7177.400000112.6A1526 L1530 I1544 V1551 G1552 A1557 I1558 A1559 L1612A1526-A1555 HydrophobicContact CB-CB 4.13Å; L1530-A1555 HydrophobicContact CD1-CB 3.81Å; L1530-A1555 WeakPolarHBondContact CD1-O 3.34Å; I1544-A1555 HydrophobicContact CD1-CB 3.8Å; I1544-A1555 HydrophobicContact CG1-CB 4.3Å; I1544-A1555 HydrophobicContact CG2-CB 4.01Å; V1551-A1555 VanDerWaalsContact O-CB 3.3Å; V1551-A1555 WeakPolarHBondContact O-CB 3.3Å; V1551-A1555 PolarHBondContact O-N 3.45Å; G1552-A1555 PolarHBondContact O-N 2.82Å; A1555-A1557 VanDerWaalsContact C-N 3.31Å; A1555-A1557 PolarHBondContact O-N 3.14Å; A1555-I1558 PolarHBondContact O-N 3.47Å; A1555-A1559 WeakPolarHBondContact O-CB 3.42Å; A1555-A1559 PolarHBondContact O-N 2.9Å; A1555-L1612 HydrophobicContact CB-CD2 3.56Å
1556I92.2Very high89Confident2 Ų227.7 Ų27.71%0.0118%0.18CC..Hα-helixtrans-60.5-42.1175.4-71162.7000110.4I1544 G1547 G1552 R1560 I1566 L1579 M1582 V1584I1544-I1556 HydrophobicContact CD1-CB 4.33Å; I1544-I1556 HydrophobicContact CD1-CG1 3.65Å; I1544-I1556 HydrophobicContact CG2-CG1 4.5Å; G1547-I1556 WeakPolarHBondContact O-CD1 3.44Å; G1552-I1556 VanDerWaalsContact O-CG1 3.24Å; G1552-I1556 WeakPolarHBondContact O-CG1 3.32Å; G1552-I1556 PolarHBondContact O-N 3Å; I1556-R1560 WeakPolarHBondContact O-CB 3.42Å; I1556-R1560 PolarHBondContact O-N 3.14Å; I1556-I1566 HydrophobicContact CG1-CG2 4.28Å; I1556-I1566 HydrophobicContact CG2-CD1 4.16Å; I1556-I1566 WeakPolarHBondContact O-CD1 3.4Å; I1556-L1579 HydrophobicContact CD1-CD2 3.61Å; I1556-M1582 HydrophobicContact CD1-CE 4.39Å; I1556-M1582 HydrophobicContact CG2-CE 4.28Å; I1556-V1584 HydrophobicContact CD1-CG2 4.4Å; I1556-V1584 HydrophobicContact CG2-CG2 4.13Å
1557A89Confident89.6Confident18 Ų1825.8 Ų25.815%0.14917%0.167CC..Hα-helixtrans-66.2-42.1176.800000112.7Q1553 A1554 A1555 R1560 A1561 P1691Q1553-A1557 PolarHBondContact O-N 3.37Å; A1554-A1557 PolarHBondContact O-N 2.86Å; A1555-A1557 VanDerWaalsContact C-N 3.31Å; A1555-A1557 PolarHBondContact O-N 3.14Å; A1557-R1560 PolarHBondContact O-N 3.48Å; A1557-A1561 VanDerWaalsContact O-CB 3.29Å; A1557-A1561 WeakPolarHBondContact O-CB 3.14Å; A1557-A1561 PolarHBondContact O-N 3.13Å; A1557-P1691 HydrophobicContact CB-CG 3.8Å
1558I92.6Very high90.1Very high8 Ų825.8 Ų25.84%0.04117%0.167CC..Hα-helixtrans-63.5-48.1177.8-70159.9000110.9A1526 W1527 L1530 I1536 A1554 A1555 R1560 A1561 A1562 L1690A1526-I1558 HydrophobicContact CB-CD1 3.75Å; W1527-I1558 HydrophobicContact CB-CD1 4.2Å; W1527-I1558 HydrophobicContact CE3-CD1 4.07Å; W1527-I1558 HydrophobicContact CE3-CG1 4.04Å; W1527-I1558 HydrophobicContact CZ3-CG1 4.39Å; L1530-I1558 HydrophobicContact CB-CG2 3.96Å; L1530-I1558 HydrophobicContact CD1-CB 4.26Å; L1530-I1558 HydrophobicContact CD1-CG2 4.07Å; I1536-I1558 HydrophobicContact CD1-CG2 3.77Å; A1554-I1558 WeakPolarHBondContact O-CD1 3.47Å; A1554-I1558 VanDerWaalsContact O-CG1 3.26Å; A1554-I1558 WeakPolarHBondContact O-CG1 3.23Å; A1554-I1558 PolarHBondContact O-N 3.3Å; A1555-I1558 PolarHBondContact O-N 3.47Å; I1558-R1560 PolarHBondContact O-N 2.84Å; I1558-A1561 PolarHBondContact O-N 2.95Å; I1558-A1562 PolarHBondContact O-N 2.62Å; I1558-L1690 HydrophobicContact CD1-CD2 3.97Å; I1558-L1690 HydrophobicContact CG1-CD2 3.45Å; I1558-L1690 VanDerWaalsContact CG1-CD2 3.45Å
1559A93.2Very high90.6Very high0 Ų025.5 Ų25.50%017%0.165CC..Hα-helixtrans-58.9-46.8175.400000111.5L1530 V1542 A1555 A1561 A1562 G1563 C1564 I1566L1530-A1559 HydrophobicContact CD1-CB 4.48Å; V1542-A1559 HydrophobicContact CB-CB 4.47Å; V1542-A1559 HydrophobicContact CG2-CB 4.49Å; A1555-A1559 WeakPolarHBondContact O-CB 3.42Å; A1555-A1559 PolarHBondContact O-N 2.9Å; A1559-A1561 VanDerWaalsContact C-N 3.34Å; A1559-A1561 PolarHBondContact O-N 2.85Å; A1559-A1562 PolarHBondContact O-N 3.31Å; A1559-G1563 PolarHBondContact O-N 3.38Å; A1559-C1564 HydrophobicContact CB-CB 4.02Å; A1559-C1564 WeakPolarHBondContact O-CB 3.21Å; A1559-C1564 PolarHBondContact O-N 2.94Å; A1559-C1564 PolarHBondContact O-SG 3.25Å; A1559-I1566 HydrophobicContact CB-CD1 3.87Å; A1559-I1566 HydrophobicContact CB-CG1 3.98Å
1560R91.4Very high91.1Very high118 Ų11824.6 Ų24.645%0.44516%0.156SC..Hα-helixtrans-64.4-34.9178.1-171.8174.2-71.4172.6-4.2112.9I1556 A1557 I1558 G1563 I1566 M1582 G1583I1556-R1560 WeakPolarHBondContact O-CB 3.42Å; I1556-R1560 PolarHBondContact O-N 3.14Å; A1557-R1560 PolarHBondContact O-N 3.48Å; I1558-R1560 PolarHBondContact O-N 2.84Å; R1560-G1563 PolarHBondContact O-N 2.83Å; R1560-I1566 HydrophobicContact CB-CD1 3.9Å; R1560-M1582 PolarHBondContact NH1-O 3.4Å; R1560-M1582 PolarHBondContact NH2-O 3.33Å; R1560-G1583 VanDerWaalsContact NH2-C 3.27Å; R1560-G1583 PolarHBondContact NH2-O 3.44Å
1561A88Confident91.4Very high67 Ų6724.3 Ų24.355%0.55415%0.153SC*.Hα-helixtrans-72.8-30.2176.400000113A1557 I1558 A1559 G1563A1557-A1561 VanDerWaalsContact O-CB 3.29Å; A1557-A1561 WeakPolarHBondContact O-CB 3.14Å; A1557-A1561 PolarHBondContact O-N 3.13Å; I1558-A1561 PolarHBondContact O-N 2.95Å; A1559-A1561 VanDerWaalsContact C-N 3.34Å; A1559-A1561 PolarHBondContact O-N 2.85Å; A1561-G1563 VanDerWaalsContact C-N 3.31Å
1562A90.8Very high91.2Very high39 Ų3924.8 Ų24.832%0.32216%0.158SC..Hα-helixtrans-77.5-15.5170.900000113.4I1536 S1538 I1558 A1559I1536-A1562 HydrophobicContact CD1-CB 3.56Å; I1536-A1562 HydrophobicContact CG1-CB 4.02Å; S1538-A1562 VanDerWaalsContact CA-O 3.28Å; S1538-A1562 WeakPolarHBondContact CA-O 3.3Å; I1558-A1562 PolarHBondContact O-N 2.62Å; A1559-A1562 PolarHBondContact O-N 3.31Å
1563G91Very high91.1Very high48 Ų4828 Ų2850%0.49518%0.184SC..THydrogen-bonded Turntrans94.84.6-179.100000115.1S1538 A1559 R1560 A1561S1538-G1563 CarbonylContact O-C 3.56Å; S1538-G1563 VanDerWaalsContact O-O 3.12Å; A1559-G1563 PolarHBondContact O-N 3.38Å; R1560-G1563 PolarHBondContact O-N 2.83Å; A1561-G1563 VanDerWaalsContact C-N 3.31Å
1564C95.3Very high90.8Very high12 Ų1233.9 Ų33.98%0.08121%0.211CC..  trans-62.7156.3-174.4-54.50000113.5C1537 D1540 V1542 A1559C1537-C1564 PolarHBondContact O-SG 3.16Å; D1540-C1564 WeakPolarHBondContact O-CA 3.05Å; D1540-C1564 WeakPolarHBondContact O-CB 3.3Å; V1542-C1564 HydrophobicContact CG2-CB 3.85Å; A1559-C1564 HydrophobicContact CB-CB 4.02Å; A1559-C1564 WeakPolarHBondContact O-CB 3.21Å; A1559-C1564 PolarHBondContact O-N 2.94Å; A1559-C1564 PolarHBondContact O-SG 3.25Å
1565E96.2Very high90.6Very high77 Ų7735.7 Ų35.736%0.3622%0.216SC..EExtended strand (participates in β ladder)trans-83.8131.4169.5-165.7-180149.500109.7D1540 K1541 V1542 F1567D1540-E1565 PolarHBondContact O-N 2.91Å; K1541-E1565 WeakPolarHBondContact CA-O 3.44Å; K1541-E1565 WeakPolarHBondContact CE-OE1 3.4Å; K1541-E1565 WeakPolarHBondContact CE-OE2 3.34Å; K1541-E1565 HydrophobicContact CG-CB 4.05Å; K1541-E1565 HydrophobicContact CG-CG 4.35Å; K1541-E1565 IonicContact NZ-OE1 3.9Å; K1541-E1565 PolarHBondContact NZ-OE1 3.04Å; K1541-E1565 IonicContact NZ-OE2 3.67Å; K1541-E1565 PolarHBondContact NZ-OE2 3.18Å; V1542-E1565 PolarHBondContact N-O 2.75Å; E1565-F1567 HydrophobicContact CG-CE2 3.91Å; E1565-F1567 HydrophobicContact CG-CZ 4.46Å
1566I96.8Very high90.5Very high17 Ų1738.5 Ų38.59%0.08723%0.227CC..EExtended strand (participates in β ladder)trans-117.2120.6-163.9-54.4179.9000111.9I1544 I1556 A1559 R1560 V1584I1544-I1566 HydrophobicContact CD1-CG2 4.2Å; I1556-I1566 HydrophobicContact CG1-CG2 4.28Å; I1556-I1566 HydrophobicContact CG2-CD1 4.16Å; I1556-I1566 WeakPolarHBondContact O-CD1 3.4Å; A1559-I1566 HydrophobicContact CB-CD1 3.87Å; A1559-I1566 HydrophobicContact CB-CG1 3.98Å; R1560-I1566 HydrophobicContact CB-CD1 3.9Å; I1566-V1584 HydrophobicContact CB-CG1 4.43Å; I1566-V1584 HydrophobicContact CG2-CG1 4.02Å; I1566-V1584 HydrophobicContact CG2-CG2 4.46Å; I1566-V1584 WeakPolarHBondContact O-CG1 3.49Å
1567F97.7Very high90.3Very high0 Ų043.3 Ų43.30%025%0.249CC..EExtended strand (participates in β ladder)trans-109.1136.5170.8-61-102.9000108K1541 V1542 L1543 I1544 E1565 H1586 Y1588 I1599 T1603 V1608K1541-F1567 HydrophobicContact CB-CD2 4.28Å; K1541-F1567 HydrophobicContact CB-CE2 3.91Å; K1541-F1567 HydrophobicContact CD-CE2 4.18Å; K1541-F1567 HydrophobicContact CD-CZ 4.48Å; K1541-F1567 HydrophobicContact CG-CE2 3.87Å; V1542-F1567 PolarHBondContact O-N 2.95Å; V1542-F1567 VanDerWaalsContact O-O 3.14Å; L1543-F1567 CarbonylContact C-O 3.6Å; L1543-F1567 VanDerWaalsContact CA-O 3.32Å; L1543-F1567 WeakPolarHBondContact CA-O 3.19Å; L1543-F1567 HydrophobicContact CB-CB 4.36Å; L1543-F1567 HydrophobicContact CD1-CB 3.86Å; I1544-F1567 PolarHBondContact N-O 2.89Å; E1565-F1567 HydrophobicContact CG-CE2 3.91Å; E1565-F1567 HydrophobicContact CG-CZ 4.46Å; F1567-H1586 HydrophobicContact CB-CB 4.33Å; F1567-H1586 HydrophobicContact CD1-CB 3.38Å; F1567-H1586 AromaticContact CD1-CG 3.67Å; F1567-H1586 HydrophobicContact CE1-CB 3.7Å; F1567-H1586 AromaticContact CE1-CD2 3.76Å; F1567-H1586 AromaticContact CE1-CG 3.4Å; F1567-H1586 VanDerWaalsContact CE1-CG 3.4Å; F1567-H1586 AromaticContact CE1-ND1 3.63Å; F1567-H1586 HydrophobicContact CG-CB 3.94Å; F1567-H1586 HydrophobicContact CZ-CB 4.49Å; F1567-H1586 AromaticContact CZ-CD2 3.85Å; F1567-H1586 AromaticContact CZ-CG 3.99Å; F1567-Y1588 HydrophobicContact CB-CE2 4.36Å; F1567-Y1588 AromaticContact CD1-CE2 3.96Å; F1567-Y1588 HydrophobicContact CD1-CE2 3.96Å; F1567-I1599 HydrophobicContact CB-CD1 4.34Å; F1567-I1599 HydrophobicContact CD1-CB 4.49Å; F1567-I1599 HydrophobicContact CD1-CD1 4.49Å; F1567-I1599 HydrophobicContact CD1-CG1 4.03Å; F1567-I1599 HydrophobicContact CD1-CG2 3.82Å; F1567-I1599 HydrophobicContact CE1-CG2 4.09Å; F1567-I1599 HydrophobicContact CG-CG2 4.46Å; F1567-T1603 HydrophobicContact CE1-CG2 3.7Å; F1567-T1603 HydrophobicContact CE2-CG2 4.42Å; F1567-T1603 HydrophobicContact CZ-CG2 3.52Å; F1567-V1608 HydrophobicContact CD2-CG1 4.06Å; F1567-V1608 HydrophobicContact CE2-CG1 4.48Å; F1567-V1608 HydrophobicContact CG-CG1 4.24Å
1568A95.7Very high90Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-138.5152.2-176.800000112.9I1544 L1579 V1584 H1586 V1587 Y1588I1544-A1568 WeakPolarHBondContact O-CA 3.32Å; A1568-L1579 HydrophobicContact CB-CD1 3.92Å; A1568-L1579 HydrophobicContact CB-CD2 4.44Å; A1568-V1584 HydrophobicContact CB-CG1 4.04Å; A1568-H1586 PolarHBondContact N-O 2.98Å; A1568-V1587 CarbonylContact O-C 3.52Å; A1568-V1587 VanDerWaalsContact O-CA 3.32Å; A1568-V1587 WeakPolarHBondContact O-CA 3.24Å; A1568-Y1588 PolarHBondContact O-N 3.05Å
1569T94.7Very high89.9Confident0 Ų044.6 Ų44.60%025%0.253CS..EExtended strand (participates in β ladder)trans-123.4145.8173.269.20000113.2L1543 I1544 H1545 S1546 G1547 Y1588 S1590 F1595L1543-T1569 HydrophobicContact CD1-CG2 4.02Å; I1544-T1569 PolarHBondContact O-N 3.33Å; H1545-T1569 WeakPolarHBondContact CA-OG1 3.4Å; H1545-T1569 PolarHBondContact ND1-OG1 2.82Å; S1546-T1569 WeakPolarHBondContact CA-O 3.17Å; S1546-T1569 PolarHBondContact N-O 2.68Å; G1547-T1569 PolarHBondContact N-O 2.99Å; T1569-Y1588 CarbonylContact C-O 3.59Å; T1569-Y1588 VanDerWaalsContact CA-O 3.25Å; T1569-Y1588 WeakPolarHBondContact CA-O 3.2Å; T1569-S1590 WeakPolarHBondContact OG1-CB 3.18Å; T1569-F1595 HydrophobicContact CG2-CB 4.23Å; T1569-F1595 HydrophobicContact CG2-CD2 4.48Å; T1569-F1595 HydrophobicContact CG2-CG 4.19Å
1570A88.7Confident89.8Confident2 Ų248.5 Ų48.52%0.01727%0.271CS..  trans-151.6133.8171.800000112.5S1572 R1575 R1576 L1579 Y1588A1570-S1572 VanDerWaalsContact C-N 3.26Å; A1570-S1572 PolarHBondContact O-N 3.12Å; A1570-S1572 VanDerWaalsContact O-N 3.09Å; A1570-R1575 HydrophobicContact CB-CB 3.76Å; A1570-R1576 HydrophobicContact CB-CG 4.09Å; A1570-R1576 VanDerWaalsContact O-CG 3.32Å; A1570-R1576 WeakPolarHBondContact O-CG 3.35Å; A1570-R1576 PolarHBondContact O-NH1 3.18Å; A1570-L1579 HydrophobicContact CB-CD1 3.9Å; A1570-Y1588 PolarHBondContact N-O 2.8Å
1571G83.8Confident89.6Confident13 Ų1348.2 Ų48.213%0.13428%0.279CS..SBendtrans-74.79.9-171.500000117.7D1589 S1590 R1591G1571-D1589 WeakPolarHBondContact CA-OD1 3.28Å; G1571-S1590 WeakPolarHBondContact CA-OG 3.39Å; G1571-S1590 PolarHBondContact N-OG 2.78Å; G1571-R1591 VanDerWaalsContact O-CD 3.29Å; G1571-R1591 WeakPolarHBondContact O-CD 3.37Å; G1571-R1591 VanDerWaalsContact O-CZ 3.26Å; G1571-R1591 PolarHBondContact O-NE 3.13Å; G1571-R1591 PolarHBondContact O-NH1 3.43Å
1572S84Confident89.4Confident43 Ų4347.5 Ų47.530%0.30126%0.264SS..SBendtrans-143.7144.8171.5740000111.2A1570 Q1574 R1575 R1576A1570-S1572 VanDerWaalsContact C-N 3.26Å; A1570-S1572 PolarHBondContact O-N 3.12Å; A1570-S1572 VanDerWaalsContact O-N 3.09Å; S1572-Q1574 VanDerWaalsContact C-N 3.25Å; S1572-Q1574 PolarHBondContact O-N 3.14Å; S1572-R1575 CarbonylContact O-C 3.39Å; S1572-R1575 PolarHBondContact O-N 2.91Å; S1572-R1575 PolarHBondContact OG-N 2.83Å; S1572-R1576 PolarHBondContact O-N 2.9Å
1573A84.6Confident89.2Confident70 Ų7048.2 Ų48.258%0.57928%0.276SS*.Hα-helixtrans-56.5-38.1-177.700000112.8R1575 R1576 Q1577A1573-R1575 PolarHBondContact O-N 2.87Å; A1573-R1576 PolarHBondContact O-N 2.79Å; A1573-R1576 VanDerWaalsContact O-N 3.17Å; A1573-Q1577 PolarHBondContact O-N 3.03Å
1574Q81.5Confident89.3Confident168 Ų16846 Ų4679%0.78525%0.253SS*.Hα-helixtrans-64.5-38.2175.5-169.4-178.814.500112.7S1572 R1576 L1578S1572-Q1574 VanDerWaalsContact C-N 3.25Å; S1572-Q1574 PolarHBondContact O-N 3.14Å; Q1574-R1576 VanDerWaalsContact C-N 3.35Å; Q1574-L1578 PolarHBondContact O-N 3.01Å; Q1574-L1578 VanDerWaalsContact O-N 3.16Å
1575R83.9Confident89.1Confident48 Ų4853.3 Ų53.318%0.18129%0.285CS..Hα-helixtrans-73.4-25.5173.5-77.9178.7166.8-93.7-7.9112.4T1548 A1570 S1572 A1573 L1579 A1713 H1715T1548-R1575 HydrophobicContact CG2-CB 4Å; T1548-R1575 HydrophobicContact CG2-CG 4.36Å; T1548-R1575 VanDerWaalsContact CG2-O 3.22Å; T1548-R1575 WeakPolarHBondContact CG2-O 3.29Å; T1548-R1575 PolarHBondContact O-NH1 2.95Å; T1548-R1575 WeakPolarHBondContact OG1-CD 3.18Å; T1548-R1575 PolarHBondContact OG1-NH1 3.09Å; A1570-R1575 HydrophobicContact CB-CB 3.76Å; S1572-R1575 CarbonylContact O-C 3.39Å; S1572-R1575 PolarHBondContact O-N 2.91Å; S1572-R1575 PolarHBondContact OG-N 2.83Å; A1573-R1575 PolarHBondContact O-N 2.87Å; R1575-L1579 PolarHBondContact O-N 2.72Å; R1575-A1713 PolarHBondContact NH2-O 2.73Å; R1575-H1715 PolarHBondContact NH2-O 2.73Å
1576R89.7Confident89.1Confident59 Ų5951.4 Ų51.422%0.22328%0.277CS..Hα-helixtrans-71.4-45.2171.2-67.6-166.5-73.9-8926.3111.8A1570 S1572 A1573 Q1574 L1578 L1579 H1580 V1587 Y1588 D1589A1570-R1576 HydrophobicContact CB-CG 4.09Å; A1570-R1576 VanDerWaalsContact O-CG 3.32Å; A1570-R1576 WeakPolarHBondContact O-CG 3.35Å; A1570-R1576 PolarHBondContact O-NH1 3.18Å; S1572-R1576 PolarHBondContact O-N 2.9Å; A1573-R1576 PolarHBondContact O-N 2.79Å; A1573-R1576 VanDerWaalsContact O-N 3.17Å; Q1574-R1576 VanDerWaalsContact C-N 3.35Å; R1576-L1578 VanDerWaalsContact C-N 3.28Å; R1576-L1578 PolarHBondContact O-N 3.02Å; R1576-L1579 WeakPolarHBondContact O-CB 3.37Å; R1576-L1579 PolarHBondContact O-N 2.95Å; R1576-H1580 PolarHBondContact O-N 3.41Å; R1576-V1587 HydrophobicContact CB-CG1 3.7Å; R1576-V1587 HydrophobicContact CG-CG1 3.78Å; R1576-Y1588 VanDerWaalsContact CD-C 3.5Å; R1576-Y1588 WeakPolarHBondContact CD-O 3.25Å; R1576-D1589 IonicContact CZ-OD2 3.64Å; R1576-D1589 IonicContact NH1-OD1 2.67Å; R1576-D1589 IonicContact NH1-OD2 3.95Å; R1576-D1589 PolarHBondContact NH1-OD2 3.22Å; R1576-D1589 IonicContact NH2-OD2 2.62Å; R1576-D1589 PolarHBondContact NH2-OD2 2.84Å
1577Q87.1Confident89.1Confident103 Ų10351.5 Ų51.548%0.48128%0.278SS..Hα-helixtrans-55.5-44.1173-173.859.652.400111.5A1573 L1579 H1580 D1581A1573-Q1577 PolarHBondContact O-N 3.03Å; Q1577-L1579 PolarHBondContact O-N 3.22Å; Q1577-H1580 WeakPolarHBondContact O-CB 3.35Å; Q1577-H1580 PolarHBondContact O-N 3Å; Q1577-D1581 PolarHBondContact NE2-OD1 3.47Å; Q1577-D1581 PolarHBondContact O-N 3.34Å
1578L84.4Confident89Confident52 Ų5252 Ų5227%0.27228%0.28SS..Hα-helixtrans-57.4-32.3176.6-177.162.7000113.5T1548 Q1574 R1576 M1582 T1716T1548-L1578 HydrophobicContact CG2-CB 4.41Å; T1548-L1578 HydrophobicContact CG2-CD2 4.02Å; T1548-L1578 HydrophobicContact CG2-CG 4.42Å; Q1574-L1578 PolarHBondContact O-N 3.01Å; Q1574-L1578 VanDerWaalsContact O-N 3.16Å; R1576-L1578 VanDerWaalsContact C-N 3.28Å; R1576-L1578 PolarHBondContact O-N 3.02Å; L1578-M1582 VanDerWaalsContact O-CG 3.25Å; L1578-M1582 WeakPolarHBondContact O-CG 3.25Å; L1578-M1582 PolarHBondContact O-N 3.45Å; L1578-M1582 VanDerWaalsContact O-N 3.07Å; L1578-T1716 HydrophobicContact CD2-CG2 4.2Å
1579L90Very high88.9Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-73.7-38.3176.3-69165.7000111.7T1548 I1556 A1568 A1570 R1575 R1576 Q1577 M1582 G1583 V1584 V1587T1548-L1579 HydrophobicContact CG2-CD1 4.07Å; T1548-L1579 HydrophobicContact CG2-CD2 3.89Å; T1548-L1579 HydrophobicContact CG2-CG 3.68Å; I1556-L1579 HydrophobicContact CD1-CD2 3.61Å; A1568-L1579 HydrophobicContact CB-CD1 3.92Å; A1568-L1579 HydrophobicContact CB-CD2 4.44Å; A1570-L1579 HydrophobicContact CB-CD1 3.9Å; R1575-L1579 PolarHBondContact O-N 2.72Å; R1576-L1579 WeakPolarHBondContact O-CB 3.37Å; R1576-L1579 PolarHBondContact O-N 2.95Å; Q1577-L1579 PolarHBondContact O-N 3.22Å; L1579-M1582 HydrophobicContact CD2-SD 4.31Å; L1579-M1582 WeakPolarHBondContact O-CB 3.33Å; L1579-M1582 PolarHBondContact O-N 2.9Å; L1579-G1583 PolarHBondContact O-N 2.72Å; L1579-V1584 HydrophobicContact CB-CB 4.35Å; L1579-V1584 WeakPolarHBondContact O-CB 3.44Å; L1579-V1584 PolarHBondContact O-N 3.14Å; L1579-V1587 HydrophobicContact CB-CG1 3.94Å; L1579-V1587 HydrophobicContact CB-CG2 3.7Å; L1579-V1587 HydrophobicContact CD1-CG1 3.72Å; L1579-V1587 HydrophobicContact CG-CG1 4.46Å
1580H91.7Very high88.5Confident82 Ų8255 Ų5538%0.3830%0.297SS..Hα-helixtrans-63.6-41.1169.6-65-50.1000111.9R1576 Q1577 M1582 G1583 V1584 E1585 V1587R1576-H1580 PolarHBondContact O-N 3.41Å; Q1577-H1580 WeakPolarHBondContact O-CB 3.35Å; Q1577-H1580 PolarHBondContact O-N 3Å; H1580-M1582 PolarHBondContact O-N 2.81Å; H1580-G1583 WeakPolarHBondContact O-CA 3.4Å; H1580-G1583 PolarHBondContact O-N 3.03Å; H1580-V1584 WeakPolarHBondContact CA-O 3.44Å; H1580-V1584 PolarHBondContact ND1-O 2.73Å; H1580-E1585 PolarHBondContact CE1-O 2.86Å; H1580-E1585 VanDerWaalsContact CE1-O 3.25Å; H1580-E1585 PolarHBondContact ND1-O 2.8Å; H1580-V1587 VanDerWaalsContact CE1-CG2 3.48Å; H1580-V1587 WeakPolarHBondContact CE1-CG2 3.48Å; H1580-V1587 WeakPolarHBondContact ND1-CG2 3.37Å
1581D85.4Confident88.3Confident112 Ų11264.6 Ų64.660%0.59933%0.333SS*.Hα-helixtrans-63.8-26.6176.3-59.4-19.8000112Q1577 G1583Q1577-D1581 PolarHBondContact NE2-OD1 3.47Å; Q1577-D1581 PolarHBondContact O-N 3.34Å; D1581-G1583 VanDerWaalsContact C-N 3.27Å
1582M85.1Confident88.5Confident52 Ų5265.5 Ų65.526%0.25634%0.338SS..THydrogen-bonded Turntrans-79.70170-72.8175.161.400114.3Q1553 I1556 R1560 L1578 L1579 H1580Q1553-M1582 VanDerWaalsContact NE2-CE 3.33Å; Q1553-M1582 PolarHBondContact NE2-SD 3.01Å; Q1553-M1582 PolarHBondContact OE1-SD 3.41Å; I1556-M1582 HydrophobicContact CD1-CE 4.39Å; I1556-M1582 HydrophobicContact CG2-CE 4.28Å; R1560-M1582 PolarHBondContact NH1-O 3.4Å; R1560-M1582 PolarHBondContact NH2-O 3.33Å; L1578-M1582 VanDerWaalsContact O-CG 3.25Å; L1578-M1582 WeakPolarHBondContact O-CG 3.25Å; L1578-M1582 PolarHBondContact O-N 3.45Å; L1578-M1582 VanDerWaalsContact O-N 3.07Å; L1579-M1582 HydrophobicContact CD2-SD 4.31Å; L1579-M1582 WeakPolarHBondContact O-CB 3.33Å; L1579-M1582 PolarHBondContact O-N 2.9Å; H1580-M1582 PolarHBondContact O-N 2.81Å
1583G87.1Confident88.8Confident54 Ų5466.7 Ų66.756%0.55734%0.343SS*.THydrogen-bonded Turntrans73.836-175.400000114R1560 L1579 H1580 D1581R1560-G1583 VanDerWaalsContact NH2-C 3.27Å; R1560-G1583 PolarHBondContact NH2-O 3.44Å; L1579-G1583 PolarHBondContact O-N 2.72Å; H1580-G1583 WeakPolarHBondContact O-CA 3.4Å; H1580-G1583 PolarHBondContact O-N 3.03Å; D1581-G1583 VanDerWaalsContact C-N 3.27Å
1584V92.2Very high89.1Confident3 Ų369.1 Ų69.12%0.01834%0.342CS..  trans-95.1119.2163.5-174.40000108I1556 I1566 A1568 L1579 H1580 V1587I1556-V1584 HydrophobicContact CD1-CG2 4.4Å; I1556-V1584 HydrophobicContact CG2-CG2 4.13Å; I1566-V1584 HydrophobicContact CB-CG1 4.43Å; I1566-V1584 HydrophobicContact CG2-CG1 4.02Å; I1566-V1584 HydrophobicContact CG2-CG2 4.46Å; I1566-V1584 WeakPolarHBondContact O-CG1 3.49Å; A1568-V1584 HydrophobicContact CB-CG1 4.04Å; L1579-V1584 HydrophobicContact CB-CB 4.35Å; L1579-V1584 WeakPolarHBondContact O-CB 3.44Å; L1579-V1584 PolarHBondContact O-N 3.14Å; H1580-V1584 WeakPolarHBondContact CA-O 3.44Å; H1580-V1584 PolarHBondContact ND1-O 2.73Å; V1584-V1587 HydrophobicContact CB-CG2 4.05Å; V1584-V1587 HydrophobicContact CG1-CG2 3.88Å
1585E91.8Very high89.7Confident164 Ų16461.1 Ų61.177%0.76631%0.305SS*.SBendtrans-74.5-45-176.3-168.5155.2-174.100111.4H1580H1580-E1585 PolarHBondContact CE1-O 2.86Å; H1580-E1585 VanDerWaalsContact CE1-O 3.25Å; H1580-E1585 PolarHBondContact ND1-O 2.8Å
1586H96.2Very high90.1Very high38 Ų3859.1 Ų59.118%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-98.5107.3-174.3-65.9-76.7000112.4F1567 A1568 Y1588 D1602F1567-H1586 HydrophobicContact CB-CB 4.33Å; F1567-H1586 HydrophobicContact CD1-CB 3.38Å; F1567-H1586 AromaticContact CD1-CG 3.67Å; F1567-H1586 HydrophobicContact CE1-CB 3.7Å; F1567-H1586 AromaticContact CE1-CD2 3.76Å; F1567-H1586 AromaticContact CE1-CG 3.4Å; F1567-H1586 VanDerWaalsContact CE1-CG 3.4Å; F1567-H1586 AromaticContact CE1-ND1 3.63Å; F1567-H1586 HydrophobicContact CG-CB 3.94Å; F1567-H1586 HydrophobicContact CZ-CB 4.49Å; F1567-H1586 AromaticContact CZ-CD2 3.85Å; F1567-H1586 AromaticContact CZ-CG 3.99Å; A1568-H1586 PolarHBondContact N-O 2.98Å; H1586-Y1588 HydrophobicContact CB-CE2 3.87Å; H1586-Y1588 WeakPolarHBondContact CB-OH 3.42Å; H1586-Y1588 PolarHBondContact ND1-OH 3.15Å; H1586-D1602 IonicContact ND1-OD2 3.37Å; H1586-D1602 PolarHBondContact ND1-OD2 3.15Å
1587V95.8Very high90.1Very high19 Ų1961.7 Ų61.712%0.11531%0.314CS..EExtended strand (participates in β ladder)trans-138.9123.8-172.6-173.20000113.6A1568 R1576 L1579 H1580 V1584A1568-V1587 CarbonylContact O-C 3.52Å; A1568-V1587 VanDerWaalsContact O-CA 3.32Å; A1568-V1587 WeakPolarHBondContact O-CA 3.24Å; R1576-V1587 HydrophobicContact CB-CG1 3.7Å; R1576-V1587 HydrophobicContact CG-CG1 3.78Å; L1579-V1587 HydrophobicContact CB-CG1 3.94Å; L1579-V1587 HydrophobicContact CB-CG2 3.7Å; L1579-V1587 HydrophobicContact CD1-CG1 3.72Å; L1579-V1587 HydrophobicContact CG-CG1 4.46Å; H1580-V1587 VanDerWaalsContact CE1-CG2 3.48Å; H1580-V1587 WeakPolarHBondContact CE1-CG2 3.48Å; H1580-V1587 WeakPolarHBondContact ND1-CG2 3.37Å; V1584-V1587 HydrophobicContact CB-CG2 4.05Å; V1584-V1587 HydrophobicContact CG1-CG2 3.88Å
1588Y96Very high90.4Very high10 Ų1061 Ų614%0.03931%0.31CS..EExtended strand (participates in β ladder)trans-129.3169.6-170.2-42.1-89.3000113.5F1567 A1568 T1569 A1570 R1576 H1586 F1595 Q1598 I1599 D1602F1567-Y1588 HydrophobicContact CB-CE2 4.36Å; F1567-Y1588 AromaticContact CD1-CE2 3.96Å; F1567-Y1588 HydrophobicContact CD1-CE2 3.96Å; A1568-Y1588 PolarHBondContact O-N 3.05Å; T1569-Y1588 CarbonylContact C-O 3.59Å; T1569-Y1588 VanDerWaalsContact CA-O 3.25Å; T1569-Y1588 WeakPolarHBondContact CA-O 3.2Å; A1570-Y1588 PolarHBondContact N-O 2.8Å; R1576-Y1588 VanDerWaalsContact CD-C 3.5Å; R1576-Y1588 WeakPolarHBondContact CD-O 3.25Å; H1586-Y1588 HydrophobicContact CB-CE2 3.87Å; H1586-Y1588 WeakPolarHBondContact CB-OH 3.42Å; H1586-Y1588 PolarHBondContact ND1-OH 3.15Å; Y1588-F1595 HydrophobicContact CG-CB 4.2Å; Y1588-Q1598 HydrophobicContact CD1-CB 3.67Å; Y1588-Q1598 HydrophobicContact CE1-CB 3.78Å; Y1588-I1599 HydrophobicContact CD1-CG1 4.33Å; Y1588-I1599 HydrophobicContact CD2-CD1 3.75Å; Y1588-I1599 HydrophobicContact CD2-CG1 3.67Å; Y1588-I1599 HydrophobicContact CE1-CG1 3.95Å; Y1588-I1599 HydrophobicContact CE2-CD1 3.71Å; Y1588-I1599 HydrophobicContact CE2-CG1 3.25Å; Y1588-I1599 HydrophobicContact CG-CD1 4.46Å; Y1588-I1599 HydrophobicContact CG-CG1 4.2Å; Y1588-D1602 WeakPolarHBondContact CE1-OD2 3.44Å; Y1588-D1602 PolarHBondContact OH-OD2 2.81Å
1589D92.6Very high91Very high41 Ų4158.6 Ų58.622%0.21930%0.298CS..  trans-77.3131.9178-154.2-44.3000111.7G1571 R1576 R1591G1571-D1589 WeakPolarHBondContact CA-OD1 3.28Å; R1576-D1589 IonicContact CZ-OD2 3.64Å; R1576-D1589 IonicContact NH1-OD1 2.67Å; R1576-D1589 IonicContact NH1-OD2 3.95Å; R1576-D1589 PolarHBondContact NH1-OD2 3.22Å; R1576-D1589 IonicContact NH2-OD2 2.62Å; R1576-D1589 PolarHBondContact NH2-OD2 2.84Å; D1589-R1591 VanDerWaalsContact C-N 3.35Å; D1589-R1591 WeakPolarHBondContact OD1-CB 3.48Å; D1589-R1591 PolarHBondContact OD1-N 2.74Å
1590S87.8Confident91.1Very high21 Ų2161.8 Ų61.815%0.14731%0.31CS..SBendtrans-90.97.2177.383.20000113.7T1569 G1571T1569-S1590 WeakPolarHBondContact OG1-CB 3.18Å; G1571-S1590 WeakPolarHBondContact CA-OG 3.39Å; G1571-S1590 PolarHBondContact N-OG 2.78Å
1591R84.7Confident91.1Very high204 Ų20460.2 Ų60.277%0.7732%0.316SS*.SBendtrans-112.1-6178.9-67.3176.2170.2169.4-12.9113.9G1571 D1589G1571-R1591 VanDerWaalsContact O-CD 3.29Å; G1571-R1591 WeakPolarHBondContact O-CD 3.37Å; G1571-R1591 VanDerWaalsContact O-CZ 3.26Å; G1571-R1591 PolarHBondContact O-NE 3.13Å; G1571-R1591 PolarHBondContact O-NH1 3.43Å; D1589-R1591 VanDerWaalsContact C-N 3.35Å; D1589-R1591 WeakPolarHBondContact OD1-CB 3.48Å; D1589-R1591 PolarHBondContact OD1-N 2.74Å
1592S87.6Confident91.4Very high32 Ų3259.1 Ų59.122%0.22431%0.31CS..SBendtrans-112.5159.9171-176.70000109.2E1594 F1595S1592-E1594 VanDerWaalsContact C-N 3.34Å; S1592-E1594 WeakPolarHBondContact CB-OE2 3.41Å; S1592-E1594 WeakPolarHBondContact OG-CB 3.4Å; S1592-E1594 WeakPolarHBondContact OG-CG 3.31Å; S1592-E1594 PolarHBondContact OG-N 3.34Å; S1592-E1594 VanDerWaalsContact OG-N 3.15Å; S1592-E1594 PolarHBondContact OG-OE2 3.09Å; S1592-F1595 WeakPolarHBondContact O-CD1 3.09Å
1593T89.9Confident91.8Very high69 Ų6957.3 Ų57.342%0.42330%0.302SS..SBendtrans-85.5-9.2166.848.80000112.5F1595 A1596 A1618 A1622T1593-F1595 PolarHBondContact O-N 2.61Å; T1593-A1596 PolarHBondContact O-N 2.94Å; T1593-A1596 VanDerWaalsContact O-N 3.14Å; T1593-A1618 HydrophobicContact CG2-CB 4.01Å; T1593-A1622 HydrophobicContact CG2-CB 4.17Å
1594E90.9Very high91.9Very high120 Ų12062.8 Ų62.856%0.56132%0.319SS*.THydrogen-bonded Turntrans-60.6-17.2-178.7-65.9161.2128.100114S1592 A1596 E1597 Q1598S1592-E1594 VanDerWaalsContact C-N 3.34Å; S1592-E1594 WeakPolarHBondContact CB-OE2 3.41Å; S1592-E1594 WeakPolarHBondContact OG-CB 3.4Å; S1592-E1594 WeakPolarHBondContact OG-CG 3.31Å; S1592-E1594 PolarHBondContact OG-N 3.34Å; S1592-E1594 VanDerWaalsContact OG-N 3.15Å; S1592-E1594 PolarHBondContact OG-OE2 3.09Å; E1594-A1596 PolarHBondContact O-N 2.89Å; E1594-E1597 PolarHBondContact O-N 2.98Å; E1594-Q1598 VanDerWaalsContact O-CG 3.3Å; E1594-Q1598 WeakPolarHBondContact O-CG 3.38Å; E1594-Q1598 PolarHBondContact O-N 3.4Å
1595F93.7Very high91.8Very high1 Ų164.8 Ų64.80%0.00434%0.34CS..Hα-helixtrans-56.3-32.1173.972.3-101.5000111.9L1543 H1545 T1569 Y1588 S1592 T1593 Q1598 I1599 A1619 A1622 L1626L1543-F1595 HydrophobicContact CD2-CD2 4.21Å; L1543-F1595 HydrophobicContact CD2-CE2 4.03Å; H1545-F1595 AromaticContact CE1-CE1 3.83Å; H1545-F1595 AromaticContact CE1-CE2 3.51Å; H1545-F1595 AromaticContact CE1-CZ 3.41Å; H1545-F1595 VanDerWaalsContact CE1-CZ 3.41Å; H1545-F1595 WeakPolarHBondContact CE1-CZ 3.34Å; H1545-F1595 AromaticContact NE2-CE2 3.88Å; H1545-F1595 AromaticContact NE2-CZ 3.89Å; T1569-F1595 HydrophobicContact CG2-CB 4.23Å; T1569-F1595 HydrophobicContact CG2-CD2 4.48Å; T1569-F1595 HydrophobicContact CG2-CG 4.19Å; Y1588-F1595 HydrophobicContact CG-CB 4.2Å; S1592-F1595 WeakPolarHBondContact O-CD1 3.09Å; T1593-F1595 PolarHBondContact O-N 2.61Å; F1595-Q1598 PolarHBondContact O-N 2.85Å; F1595-I1599 HydrophobicContact CD2-CD1 4.13Å; F1595-I1599 WeakPolarHBondContact O-CB 3.18Å; F1595-I1599 WeakPolarHBondContact O-CG1 3.24Å; F1595-I1599 PolarHBondContact O-N 3.45Å; F1595-A1619 HydrophobicContact CE1-CB 4.49Å; F1595-A1622 HydrophobicContact CZ-CB 4Å; F1595-L1626 HydrophobicContact CD2-CD2 4.43Å; F1595-L1626 HydrophobicContact CE2-CD2 4.36Å
1596A91.8Very high91.9Very high6 Ų662.9 Ų62.95%0.0533%0.326CS..Hα-helixtrans-67.3-46.2-177.800000111.2T1593 E1594 R1600 A1622 L1626T1593-A1596 PolarHBondContact O-N 2.94Å; T1593-A1596 VanDerWaalsContact O-N 3.14Å; E1594-A1596 PolarHBondContact O-N 2.89Å; A1596-R1600 VanDerWaalsContact O-CB 3.29Å; A1596-R1600 WeakPolarHBondContact O-CB 3.23Å; A1596-R1600 PolarHBondContact O-N 3.06Å; A1596-A1622 HydrophobicContact CB-CB 4.11Å; A1596-L1626 HydrophobicContact CB-CB 4.49Å; A1596-L1626 VanDerWaalsContact O-CD1 3.27Å; A1596-L1626 WeakPolarHBondContact O-CD1 3.36Å
1597E90.9Very high91.8Very high113 Ų11361.1 Ų61.153%0.52832%0.319SS..Hα-helixtrans-74.2-29.2177.8-63.4-53.2116.300112.5E1594 R1600 G1601E1594-E1597 PolarHBondContact O-N 2.98Å; E1597-R1600 PolarHBondContact O-N 3.46Å; E1597-R1600 IonicContact OE1-CZ 3.76Å; E1597-R1600 IonicContact OE1-NE 2.72Å; E1597-R1600 PolarHBondContact OE1-NE 3.5Å; E1597-R1600 IonicContact OE1-NH2 3.13Å; E1597-R1600 PolarHBondContact OE1-NH2 3.32Å; E1597-R1600 WeakPolarHBondContact OE2-CD 3.39Å; E1597-R1600 IonicContact OE2-NE 3.19Å; E1597-R1600 PolarHBondContact OE2-NE 3.38Å; E1597-G1601 PolarHBondContact O-N 3.36Å
1598Q93.6Very high91.8Very high89 Ų8960.2 Ų60.242%0.41631%0.313SS..Hα-helixtrans-66.4-46.2172.2-69.7168.122.200111.6Y1588 E1594 F1595 G1601 D1602Y1588-Q1598 HydrophobicContact CD1-CB 3.67Å; Y1588-Q1598 HydrophobicContact CE1-CB 3.78Å; E1594-Q1598 VanDerWaalsContact O-CG 3.3Å; E1594-Q1598 WeakPolarHBondContact O-CG 3.38Å; E1594-Q1598 PolarHBondContact O-N 3.4Å; F1595-Q1598 PolarHBondContact O-N 2.85Å; Q1598-G1601 PolarHBondContact O-N 2.68Å; Q1598-D1602 PolarHBondContact O-N 3.02Å
1599I96.7Very high91.9Very high0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-65.9-39.5174.5-65.8167.5000111.1L1543 F1567 Y1588 F1595 G1601 D1602 T1603 V1608 L1626L1543-I1599 HydrophobicContact CD1-CD1 3.63Å; L1543-I1599 HydrophobicContact CD2-CD1 3.81Å; L1543-I1599 HydrophobicContact CG-CD1 4.31Å; F1567-I1599 HydrophobicContact CB-CD1 4.34Å; F1567-I1599 HydrophobicContact CD1-CB 4.49Å; F1567-I1599 HydrophobicContact CD1-CD1 4.49Å; F1567-I1599 HydrophobicContact CD1-CG1 4.03Å; F1567-I1599 HydrophobicContact CD1-CG2 3.82Å; F1567-I1599 HydrophobicContact CE1-CG2 4.09Å; F1567-I1599 HydrophobicContact CG-CG2 4.46Å; Y1588-I1599 HydrophobicContact CD1-CG1 4.33Å; Y1588-I1599 HydrophobicContact CD2-CD1 3.75Å; Y1588-I1599 HydrophobicContact CD2-CG1 3.67Å; Y1588-I1599 HydrophobicContact CE1-CG1 3.95Å; Y1588-I1599 HydrophobicContact CE2-CD1 3.71Å; Y1588-I1599 HydrophobicContact CE2-CG1 3.25Å; Y1588-I1599 HydrophobicContact CG-CD1 4.46Å; Y1588-I1599 HydrophobicContact CG-CG1 4.2Å; F1595-I1599 HydrophobicContact CD2-CD1 4.13Å; F1595-I1599 WeakPolarHBondContact O-CB 3.18Å; F1595-I1599 WeakPolarHBondContact O-CG1 3.24Å; F1595-I1599 PolarHBondContact O-N 3.45Å; I1599-G1601 PolarHBondContact O-N 3.17Å; I1599-D1602 PolarHBondContact O-N 2.87Å; I1599-T1603 HydrophobicContact CG2-CG2 4.17Å; I1599-T1603 WeakPolarHBondContact O-CB 3.26Å; I1599-T1603 WeakPolarHBondContact O-CG2 3.29Å; I1599-T1603 PolarHBondContact O-N 3.43Å; I1599-T1603 PolarHBondContact O-OG1 3.09Å; I1599-V1608 HydrophobicContact CG2-CG1 3.73Å; I1599-L1626 HydrophobicContact CB-CD1 4.11Å; I1599-L1626 HydrophobicContact CB-CD2 4.01Å; I1599-L1626 HydrophobicContact CD1-CD2 3.77Å; I1599-L1626 HydrophobicContact CG1-CD2 4.48Å; I1599-L1626 HydrophobicContact CG2-CD1 4.03Å; I1599-L1626 HydrophobicContact CG2-CD2 3.99Å; I1599-L1626 HydrophobicContact CG2-CG 4.37Å
1600R91.9Very high92.2Very high67 Ų6758.4 Ų58.425%0.25330%0.304SS..Hα-helixtrans-58.7-38.2174.3-168.1-170.3-55.3-75.1-2.5111.2A1596 E1597 G1605 E1625 L1626A1596-R1600 VanDerWaalsContact O-CB 3.29Å; A1596-R1600 WeakPolarHBondContact O-CB 3.23Å; A1596-R1600 PolarHBondContact O-N 3.06Å; E1597-R1600 PolarHBondContact O-N 3.46Å; E1597-R1600 IonicContact OE1-CZ 3.76Å; E1597-R1600 IonicContact OE1-NE 2.72Å; E1597-R1600 PolarHBondContact OE1-NE 3.5Å; E1597-R1600 IonicContact OE1-NH2 3.13Å; E1597-R1600 PolarHBondContact OE1-NH2 3.32Å; E1597-R1600 WeakPolarHBondContact OE2-CD 3.39Å; E1597-R1600 IonicContact OE2-NE 3.19Å; E1597-R1600 PolarHBondContact OE2-NE 3.38Å; R1600-G1605 WeakPolarHBondContact O-CA 3.18Å; R1600-G1605 PolarHBondContact O-N 3.21Å; R1600-E1625 PolarHBondContact NH2-O 3.24Å; R1600-L1626 HydrophobicContact CB-CD1 4.36Å
1601G91.7Very high92.7Very high50 Ų5057.4 Ų57.452%0.51530%0.297SS..Hα-helixtrans-66-52.7172.400000113.2E1597 Q1598 I1599 T1603 D1604E1597-G1601 PolarHBondContact O-N 3.36Å; Q1598-G1601 PolarHBondContact O-N 2.68Å; I1599-G1601 PolarHBondContact O-N 3.17Å; G1601-T1603 PolarHBondContact O-N 2.94Å; G1601-T1603 VanDerWaalsContact O-N 3.1Å; G1601-D1604 PolarHBondContact O-N 2.98Å
1602D92.7Very high93.3Very high89 Ų8947.8 Ų47.848%0.47626%0.261SS..Hα-helixtrans-64.4-14.4-178.2-71.6-10.6000114H1586 Y1588 Q1598 I1599H1586-D1602 IonicContact ND1-OD2 3.37Å; H1586-D1602 PolarHBondContact ND1-OD2 3.15Å; Y1588-D1602 WeakPolarHBondContact CE1-OD2 3.44Å; Y1588-D1602 PolarHBondContact OH-OD2 2.81Å; Q1598-D1602 PolarHBondContact O-N 3.02Å; I1599-D1602 PolarHBondContact O-N 2.87Å
1603T93.2Very high93.6Very high13 Ų1346.3 Ų46.38%0.0825%0.25CS..THydrogen-bonded Turntrans-111.918.5-178.858.50000113.6K1541 F1567 I1599 G1601 G1605 Y1606 G1607K1541-T1603 HydrophobicContact CD-CG2 4.17Å; F1567-T1603 HydrophobicContact CE1-CG2 3.7Å; F1567-T1603 HydrophobicContact CE2-CG2 4.42Å; F1567-T1603 HydrophobicContact CZ-CG2 3.52Å; I1599-T1603 HydrophobicContact CG2-CG2 4.17Å; I1599-T1603 WeakPolarHBondContact O-CB 3.26Å; I1599-T1603 WeakPolarHBondContact O-CG2 3.29Å; I1599-T1603 PolarHBondContact O-N 3.43Å; I1599-T1603 PolarHBondContact O-OG1 3.09Å; G1601-T1603 PolarHBondContact O-N 2.94Å; G1601-T1603 VanDerWaalsContact O-N 3.1Å; T1603-G1605 PolarHBondContact O-N 2.94Å; T1603-G1605 VanDerWaalsContact O-N 3.1Å; T1603-Y1606 VanDerWaalsContact O-CB 3.25Å; T1603-Y1606 WeakPolarHBondContact O-CB 3.35Å; T1603-Y1606 PolarHBondContact O-N 2.79Å; T1603-G1607 PolarHBondContact OG1-N 3.06Å
1604D89.1Confident93.5Very high170 Ų17044.8 Ų44.891%0.90924%0.242SC*.THydrogen-bonded Turntrans5132.6-177.2-75.7-44.4000113.4G1601G1601-D1604 PolarHBondContact O-N 2.98Å
1605G89.1Confident93.4Very high45 Ų4540 Ų4046%0.46422%0.22SC..THydrogen-bonded Turntrans90.6-7.3-178.500000116R1600 T1603R1600-G1605 WeakPolarHBondContact O-CA 3.18Å; R1600-G1605 PolarHBondContact O-N 3.21Å; T1603-G1605 PolarHBondContact O-N 2.94Å; T1603-G1605 VanDerWaalsContact O-N 3.1Å
1606Y93.4Very high92.9Very high124 Ų12442.8 Ų42.849%0.48624%0.239SC..  trans-66.2-37.7-175.6-177.4-94.5000113.7K1541 T1603 D1609 A1628K1541-Y1606 HydrophobicContact CD-CD1 3.87Å; K1541-Y1606 HydrophobicContact CD-CE1 4.15Å; T1603-Y1606 VanDerWaalsContact O-CB 3.25Å; T1603-Y1606 WeakPolarHBondContact O-CB 3.35Å; T1603-Y1606 PolarHBondContact O-N 2.79Å; Y1606-D1609 WeakPolarHBondContact CE1-OD1 3.2Å; Y1606-D1609 PolarHBondContact OH-OD1 3.11Å; Y1606-A1628 HydrophobicContact CD1-CB 4.23Å; Y1606-A1628 HydrophobicContact CE1-CB 3.71Å; Y1606-A1628 HydrophobicContact CE2-CB 4.42Å
1607G94.5Very high92.5Very high1 Ų143.9 Ų43.91%0.0125%0.25CS..  trans81-143.9-172.700000112.4T1603 L1626T1603-G1607 PolarHBondContact OG1-N 3.06Å; G1607-L1626 WeakPolarHBondContact CA-O 3.33Å
1608V97Very high92.1Very high0 Ų041.9 Ų41.90%025%0.254CS..EExtended strand (participates in β ladder)trans-134.6151.1-178.2-590000112.7K1541 L1543 F1567 I1599 V1611 L1626 L1627 A1628K1541-V1608 HydrophobicContact CB-CB 4.12Å; K1541-V1608 HydrophobicContact CB-CG1 4.16Å; L1543-V1608 HydrophobicContact CB-CG1 4.39Å; L1543-V1608 HydrophobicContact CB-CG2 3.96Å; F1567-V1608 HydrophobicContact CD2-CG1 4.06Å; F1567-V1608 HydrophobicContact CE2-CG1 4.48Å; F1567-V1608 HydrophobicContact CG-CG1 4.24Å; I1599-V1608 HydrophobicContact CG2-CG1 3.73Å; V1608-V1611 HydrophobicContact CG2-CG2 3.56Å; V1608-L1626 HydrophobicContact CG2-CD2 4.33Å; V1608-L1626 HydrophobicContact CG2-CG 4.26Å; V1608-L1626 PolarHBondContact N-O 3.28Å; V1608-L1627 HydrophobicContact CG2-CD2 4.33Å; V1608-L1627 CarbonylContact O-C 3.6Å; V1608-L1627 WeakPolarHBondContact O-CA 3.29Å; V1608-L1627 WeakPolarHBondContact O-CD2 3.46Å; V1608-A1628 PolarHBondContact O-N 3.06Å
1609D97.6Very high91.7Very high12 Ų1238.4 Ų38.46%0.06424%0.24CC..EExtended strand (participates in β ladder)trans-84.5-25.3-176.1-53.6-78.4000113D1540 K1541 Y1606 G1631 R1632D1540-D1609 HydrophobicContact CB-CB 4.2Å; K1541-D1609 WeakPolarHBondContact CB-OD2 3.45Å; K1541-D1609 PolarHBondContact N-OD2 2.98Å; K1541-D1609 PolarHBondContact O-N 3.08Å; Y1606-D1609 WeakPolarHBondContact CE1-OD1 3.2Å; Y1606-D1609 PolarHBondContact OH-OD1 3.11Å; D1609-G1631 CarbonylContact O-C 3.6Å; D1609-G1631 VanDerWaalsContact O-CA 3.26Å; D1609-G1631 WeakPolarHBondContact O-CA 3.24Å; D1609-R1632 PolarHBondContact O-N 2.85Å; D1609-R1632 PolarHBondContact O-NE 2.89Å
1610V98.1Very high91.3Very high0 Ų039.2 Ų39.20%024%0.244CC..EExtended strand (participates in β ladder)trans-138.5137.9178.2-175.80000110.8L1530 A1534 I1536 K1541 V1542 L1543 R1632L1530-V1610 HydrophobicContact CD2-CG1 3.93Å; A1534-V1610 HydrophobicContact CB-CG1 3.71Å; A1534-V1610 HydrophobicContact CB-CG2 4.16Å; I1536-V1610 HydrophobicContact CG2-CG2 4.09Å; K1541-V1610 PolarHBondContact O-N 2.79Å; V1542-V1610 WeakPolarHBondContact CA-O 3.37Å; V1542-V1610 HydrophobicContact CG1-CB 4.2Å; V1542-V1610 HydrophobicContact CG1-CG1 4.28Å; V1542-V1610 HydrophobicContact CG2-CB 4.21Å; V1542-V1610 HydrophobicContact CG2-CG2 4.49Å; L1543-V1610 PolarHBondContact N-O 3Å; V1610-R1632 CarbonylContact C-O 3.5Å; V1610-R1632 WeakPolarHBondContact CA-O 3.23Å; V1610-R1632 HydrophobicContact CG2-CB 4.28Å
1611V97.9Very high91.1Very high0 Ų043.2 Ų43.20%026%0.259CS..EExtended strand (participates in β ladder)trans-124.2121.8168.6-179.40000109.5L1543 V1608 N1613 L1627 R1632 F1633 V1634L1543-V1611 HydrophobicContact CB-CG1 4.47Å; L1543-V1611 HydrophobicContact CB-CG2 4.11Å; L1543-V1611 HydrophobicContact CD2-CG1 4.24Å; L1543-V1611 HydrophobicContact CD2-CG2 4.22Å; L1543-V1611 HydrophobicContact CG-CG1 4.39Å; L1543-V1611 WeakPolarHBondContact O-CA 3.27Å; V1608-V1611 HydrophobicContact CG2-CG2 3.56Å; V1611-N1613 HydrophobicContact CG1-CB 4.31Å; V1611-L1627 HydrophobicContact CB-CD2 4.35Å; V1611-L1627 HydrophobicContact CG2-CD2 3.65Å; V1611-L1627 HydrophobicContact CG2-CG 3.92Å; V1611-R1632 PolarHBondContact N-O 3.25Å; V1611-F1633 HydrophobicContact CB-CD2 3.72Å; V1611-F1633 HydrophobicContact CB-CE2 3.96Å; V1611-F1633 HydrophobicContact CG1-CD2 3.95Å; V1611-F1633 HydrophobicContact CG1-CE2 3.63Å; V1611-F1633 HydrophobicContact CG2-CD2 4.41Å; V1611-V1634 PolarHBondContact O-N 3.31Å
1612L97.3Very high91Very high3 Ų341.4 Ų41.42%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-96.8103.1167.1178.556.6000108.8A1529 L1530 L1543 H1545 V1551 A1555 V1634 I1636A1529-L1612 HydrophobicContact CB-CD1 3.78Å; L1530-L1612 HydrophobicContact CD2-CB 4.44Å; L1543-L1612 PolarHBondContact O-N 2.61Å; H1545-L1612 WeakPolarHBondContact CB-O 3.19Å; H1545-L1612 PolarHBondContact N-O 2.85Å; V1551-L1612 HydrophobicContact CG1-CD2 4.47Å; A1555-L1612 HydrophobicContact CB-CD2 3.56Å; L1612-V1634 HydrophobicContact CD1-CB 4.16Å; L1612-V1634 HydrophobicContact CD1-CG1 4.24Å; L1612-I1636 HydrophobicContact CD1-CD1 4.28Å; L1612-I1636 HydrophobicContact CD1-CG1 4.22Å; L1612-I1636 HydrophobicContact CD1-CG2 3.98Å
1613N95.2Very high90.8Very high0 Ų037.2 Ų37.20%022%0.217CC..EExtended strand (participates in β ladder)trans-100.6143.2-173.4-171.742.3000114H1545 V1611 L1615 F1633 V1634 E1635 I1636H1545-N1613 PolarHBondContact CD2-OD1 3.14Å; V1611-N1613 HydrophobicContact CG1-CB 4.31Å; N1613-L1615 PolarHBondContact ND2-N 3.39Å; N1613-L1615 PolarHBondContact ND2-O 3.04Å; N1613-L1615 PolarHBondContact OD1-N 3.38Å; N1613-L1615 PolarHBondContact OD1-O 3.41Å; N1613-F1633 HydrophobicContact CB-CE1 3.72Å; N1613-F1633 HydrophobicContact CB-CE2 3.91Å; N1613-F1633 HydrophobicContact CB-CZ 3.27Å; N1613-V1634 PolarHBondContact N-O 3.05Å; N1613-E1635 PolarHBondContact ND2-OE1 2.85Å; N1613-E1635 PolarHBondContact ND2-OE2 3.45Å; N1613-E1635 VanDerWaalsContact O-OE1 3.07Å; N1613-I1636 WeakPolarHBondContact O-CG1 3.45Å; N1613-I1636 PolarHBondContact O-N 3.07Å
1614S87.7Confident90.8Very high37 Ų3736.7 Ų36.726%0.25921%0.214SC..  trans-138.711.2167.685.30000112.6S1546S1546-S1614 PolarHBondContact OG-OG 3Å; S1546-S1614 VanDerWaalsContact OG-OG 3.09Å
1615L88.4Confident90.8Very high19 Ų1931.5 Ų31.510%0.09918%0.184CC..  trans-104.1130.2-176-55-179.2000109.6H1545 N1613 A1619 Q1620H1545-L1615 HydrophobicContact CB-CD1 4.27Å; H1545-L1615 HydrophobicContact CB-CG 4.03Å; H1545-L1615 WeakPolarHBondContact ND1-CD1 2.95Å; N1613-L1615 PolarHBondContact ND2-N 3.39Å; N1613-L1615 PolarHBondContact ND2-O 3.04Å; N1613-L1615 PolarHBondContact OD1-N 3.38Å; N1613-L1615 PolarHBondContact OD1-O 3.41Å; L1615-A1619 HydrophobicContact CB-CB 3.61Å; L1615-A1619 HydrophobicContact CD1-CB 3.99Å; L1615-A1619 HydrophobicContact CG-CB 4.47Å; L1615-Q1620 WeakPolarHBondContact O-CB 3.37Å; L1615-Q1620 PolarHBondContact O-N 3.2Å
1616P82.2Confident91Very high61 Ų6129.4 Ų29.440%0.39616%0.162SC..  trans-85.1165.5-176.134.1-36.2000114A1619 D1640P1616-A1619 PolarHBondContact O-N 3.23Å; P1616-D1640 WeakPolarHBondContact CA-OD2 3.27Å; P1616-D1640 VanDerWaalsContact CB-OD1 3.3Å; P1616-D1640 WeakPolarHBondContact CB-OD1 3.49Å; P1616-D1640 WeakPolarHBondContact CB-OD2 3.22Å
1617G83.8Confident91.2Very high28 Ų2823.5 Ų23.529%0.28914%0.139SC..THydrogen-bonded Turntrans64.5-128.1166.900000114A1619 Q1620 R1621 D1640G1617-A1619 PolarHBondContact O-N 3.36Å; G1617-A1619 VanDerWaalsContact O-N 3.13Å; G1617-Q1620 WeakPolarHBondContact O-CB 2.98Å; G1617-Q1620 PolarHBondContact O-N 3.2Å; G1617-R1621 PolarHBondContact O-N 3.46Å; G1617-R1621 VanDerWaalsContact O-N 3.1Å; G1617-D1640 PolarHBondContact N-OD2 2.95Å
1618A83.3Confident91.2Very high72 Ų7223.7 Ų23.760%0.59514%0.14SC*.Hα-helixtrans-57.2-30-177.700000113.3T1593 A1622T1593-A1618 HydrophobicContact CG2-CB 4.01Å; A1618-A1622 WeakPolarHBondContact O-CB 3.28Å; A1618-A1622 PolarHBondContact O-N 3.1Å
1619A85Confident91.1Very high16 Ų1630 Ų3013%0.13217%0.168CC..Hα-helixtrans-73.2-38.3176.200000112.8F1595 L1615 P1616 G1617 A1622 G1623F1595-A1619 HydrophobicContact CE1-CB 4.49Å; L1615-A1619 HydrophobicContact CB-CB 3.61Å; L1615-A1619 HydrophobicContact CD1-CB 3.99Å; L1615-A1619 HydrophobicContact CG-CB 4.47Å; P1616-A1619 PolarHBondContact O-N 3.23Å; G1617-A1619 PolarHBondContact O-N 3.36Å; G1617-A1619 VanDerWaalsContact O-N 3.13Å; A1619-A1622 PolarHBondContact O-N 3.02Å; A1619-G1623 PolarHBondContact O-N 2.86Å
1620Q89Confident90.8Very high17 Ų1731.3 Ų31.38%0.07918%0.184CC..Hα-helixtrans-57.7-50.6170.7-179.4-172.173.800110.1L1615 G1617 A1622 G1623 I1624 F1633 E1635L1615-Q1620 WeakPolarHBondContact O-CB 3.37Å; L1615-Q1620 PolarHBondContact O-N 3.2Å; G1617-Q1620 WeakPolarHBondContact O-CB 2.98Å; G1617-Q1620 PolarHBondContact O-N 3.2Å; Q1620-A1622 PolarHBondContact O-N 3.2Å; Q1620-G1623 PolarHBondContact O-N 2.83Å; Q1620-I1624 HydrophobicContact CG-CD1 4.1Å; Q1620-I1624 WeakPolarHBondContact O-CG1 3.24Å; Q1620-I1624 PolarHBondContact O-N 3.07Å; Q1620-I1624 VanDerWaalsContact O-N 3.08Å; Q1620-F1633 HydrophobicContact CG-CE1 4.01Å; Q1620-F1633 HydrophobicContact CG-CZ 3.88Å; Q1620-E1635 PolarHBondContact NE2-OE2 3.43Å
1621R86.3Confident90.8Very high151 Ų15131.3 Ų31.357%0.5718%0.184SC*.Hα-helixtrans-60-46.3179.9-178.8174.6174.5162.32.9112.1G1617 G1623 I1624 E1625G1617-R1621 PolarHBondContact O-N 3.46Å; G1617-R1621 VanDerWaalsContact O-N 3.1Å; R1621-G1623 VanDerWaalsContact C-N 3.28Å; R1621-G1623 PolarHBondContact O-N 2.77Å; R1621-I1624 PolarHBondContact O-N 2.97Å; R1621-I1624 VanDerWaalsContact O-N 3.08Å; R1621-E1625 HydrophobicContact CG-CG 4.43Å; R1621-E1625 IonicContact CZ-OE1 3.91Å; R1621-E1625 IonicContact NE-OE1 2.71Å; R1621-E1625 PolarHBondContact NE-OE1 3.19Å; R1621-E1625 IonicContact NE-OE2 2.78Å; R1621-E1625 IonicContact NH2-OE1 3.78Å; R1621-E1625 PolarHBondContact NH2-OE1 2.89Å; R1621-E1625 PolarHBondContact O-N 3.34Å
1622A89.1Confident90.8Very high12 Ų1233 Ų3310%0.09919%0.19CC..Hα-helixtrans-59.9-37.6177.100000112.4T1593 F1595 A1596 A1618 A1619 Q1620 L1626T1593-A1622 HydrophobicContact CG2-CB 4.17Å; F1595-A1622 HydrophobicContact CZ-CB 4Å; A1596-A1622 HydrophobicContact CB-CB 4.11Å; A1618-A1622 WeakPolarHBondContact O-CB 3.28Å; A1618-A1622 PolarHBondContact O-N 3.1Å; A1619-A1622 PolarHBondContact O-N 3.02Å; Q1620-A1622 PolarHBondContact O-N 3.2Å; A1622-L1626 WeakPolarHBondContact O-CB 3.38Å; A1622-L1626 PolarHBondContact O-N 2.79Å
1623G89.9Confident90.8Very high0 Ų032.9 Ų32.90%019%0.19CC..Hα-helixtrans-64.7-37.9172.700000113.4A1619 Q1620 R1621 L1626A1619-G1623 PolarHBondContact O-N 2.86Å; Q1620-G1623 PolarHBondContact O-N 2.83Å; R1621-G1623 VanDerWaalsContact C-N 3.28Å; R1621-G1623 PolarHBondContact O-N 2.77Å; G1623-L1626 PolarHBondContact O-N 3.47Å
1624I91.9Very high90.9Very high3 Ų332.9 Ų32.92%0.01519%0.19CC..Hα-helixtrans-70.4-41.1177.1-65.4166.6000111.2Q1620 R1621 L1626 L1627 F1633 L1647 P1651 L1656 L1658Q1620-I1624 HydrophobicContact CG-CD1 4.1Å; Q1620-I1624 WeakPolarHBondContact O-CG1 3.24Å; Q1620-I1624 PolarHBondContact O-N 3.07Å; Q1620-I1624 VanDerWaalsContact O-N 3.08Å; R1621-I1624 PolarHBondContact O-N 2.97Å; R1621-I1624 VanDerWaalsContact O-N 3.08Å; I1624-L1626 PolarHBondContact O-N 2.94Å; I1624-L1627 PolarHBondContact O-N 3.33Å; I1624-F1633 HydrophobicContact CB-CD2 4.39Å; I1624-F1633 HydrophobicContact CB-CE2 4.42Å; I1624-F1633 HydrophobicContact CD1-CD1 4.21Å; I1624-F1633 HydrophobicContact CD1-CD2 4.46Å; I1624-F1633 HydrophobicContact CD1-CE1 4.02Å; I1624-F1633 HydrophobicContact CD1-CE2 4.31Å; I1624-F1633 HydrophobicContact CD1-CG 4.4Å; I1624-F1633 HydrophobicContact CD1-CZ 4.05Å; I1624-F1633 HydrophobicContact CG1-CD1 3.98Å; I1624-F1633 HydrophobicContact CG1-CD2 3.41Å; I1624-F1633 VanDerWaalsContact CG1-CD2 3.41Å; I1624-F1633 HydrophobicContact CG1-CE1 3.93Å; I1624-F1633 HydrophobicContact CG1-CE2 3.38Å; I1624-F1633 HydrophobicContact CG1-CG 3.71Å; I1624-F1633 HydrophobicContact CG1-CZ 3.62Å; I1624-L1647 HydrophobicContact CD1-CD1 3.52Å; I1624-L1647 HydrophobicContact CD1-CD2 3.93Å; I1624-L1647 HydrophobicContact CD1-CG 4.31Å; I1624-P1651 HydrophobicContact CG2-CB 3.67Å; I1624-P1651 HydrophobicContact CG2-CG 3.98Å; I1624-L1656 HydrophobicContact CG2-CD1 4.07Å; I1624-L1658 HydrophobicContact CD1-CD1 4.3Å
1625E90.8Very high91.2Very high60 Ų6031.4 Ų31.428%0.2818%0.178SC..Hα-helixtrans-73.7-5.9179.1-70.2174.1164.500113.6R1600 R1621 P1651 R1654R1600-E1625 PolarHBondContact NH2-O 3.24Å; R1621-E1625 HydrophobicContact CG-CG 4.43Å; R1621-E1625 IonicContact CZ-OE1 3.91Å; R1621-E1625 IonicContact NE-OE1 2.71Å; R1621-E1625 PolarHBondContact NE-OE1 3.19Å; R1621-E1625 IonicContact NE-OE2 2.78Å; R1621-E1625 IonicContact NH2-OE1 3.78Å; R1621-E1625 PolarHBondContact NH2-OE1 2.89Å; R1621-E1625 PolarHBondContact O-N 3.34Å; E1625-P1651 HydrophobicContact CG-CG 3.94Å; E1625-R1654 VanDerWaalsContact C-NH1 3.32Å; E1625-R1654 PolarHBondContact O-NH1 2.83Å; E1625-R1654 PolarHBondContact O-NH2 2.62Å
1626L93.6Very high91.3Very high1 Ų132.2 Ų32.21%0.00518%0.182CC..THydrogen-bonded Turntrans-92.5-15172.8-174.762.3000114.1L1543 F1595 A1596 I1599 R1600 G1607 V1608 A1622 G1623 I1624L1543-L1626 HydrophobicContact CD2-CD2 3.63Å; F1595-L1626 HydrophobicContact CD2-CD2 4.43Å; F1595-L1626 HydrophobicContact CE2-CD2 4.36Å; A1596-L1626 HydrophobicContact CB-CB 4.49Å; A1596-L1626 VanDerWaalsContact O-CD1 3.27Å; A1596-L1626 WeakPolarHBondContact O-CD1 3.36Å; I1599-L1626 HydrophobicContact CB-CD1 4.11Å; I1599-L1626 HydrophobicContact CB-CD2 4.01Å; I1599-L1626 HydrophobicContact CD1-CD2 3.77Å; I1599-L1626 HydrophobicContact CG1-CD2 4.48Å; I1599-L1626 HydrophobicContact CG2-CD1 4.03Å; I1599-L1626 HydrophobicContact CG2-CD2 3.99Å; I1599-L1626 HydrophobicContact CG2-CG 4.37Å; R1600-L1626 HydrophobicContact CB-CD1 4.36Å; G1607-L1626 WeakPolarHBondContact CA-O 3.33Å; V1608-L1626 HydrophobicContact CG2-CD2 4.33Å; V1608-L1626 HydrophobicContact CG2-CG 4.26Å; V1608-L1626 PolarHBondContact N-O 3.28Å; A1622-L1626 WeakPolarHBondContact O-CB 3.38Å; A1622-L1626 PolarHBondContact O-N 2.79Å; G1623-L1626 PolarHBondContact O-N 3.47Å; I1624-L1626 PolarHBondContact O-N 2.94Å
1627L96.4Very high91.4Very high1 Ų130.2 Ų30.21%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-68134.4-176.6-81.2171.1000112.9V1608 V1611 I1624 F1633 R1654 L1656V1608-L1627 HydrophobicContact CG2-CD2 4.33Å; V1608-L1627 CarbonylContact O-C 3.6Å; V1608-L1627 WeakPolarHBondContact O-CA 3.29Å; V1608-L1627 WeakPolarHBondContact O-CD2 3.46Å; V1611-L1627 HydrophobicContact CB-CD2 4.35Å; V1611-L1627 HydrophobicContact CG2-CD2 3.65Å; V1611-L1627 HydrophobicContact CG2-CG 3.92Å; I1624-L1627 PolarHBondContact O-N 3.33Å; L1627-F1633 HydrophobicContact CD1-CB 3.77Å; L1627-F1633 HydrophobicContact CD1-CD2 4.05Å; L1627-F1633 HydrophobicContact CD1-CG 4.42Å; L1627-R1654 WeakPolarHBondContact O-CD 3.44Å; L1627-R1654 PolarHBondContact O-NH1 3.11Å; L1627-L1656 HydrophobicContact CB-CD1 4.12Å; L1627-L1656 HydrophobicContact CB-CD2 3.66Å; L1627-L1656 HydrophobicContact CD1-CD1 4.12Å; L1627-L1656 HydrophobicContact CD1-CD2 4.24Å
1628A94.7Very high91.1Very high5 Ų531.2 Ų31.24%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-65.3172.2171.800000112.2Y1606 V1608 G1630 G1631 L1656Y1606-A1628 HydrophobicContact CD1-CB 4.23Å; Y1606-A1628 HydrophobicContact CE1-CB 3.71Å; Y1606-A1628 HydrophobicContact CE2-CB 4.42Å; V1608-A1628 PolarHBondContact O-N 3.06Å; A1628-G1630 PolarHBondContact O-N 2.91Å; A1628-G1631 WeakPolarHBondContact O-CA 3.33Å; A1628-G1631 PolarHBondContact O-N 3.49Å; A1628-L1656 WeakPolarHBondContact O-CD2 3.27Å
1629F94.2Very high90.6Very high133 Ų13335.8 Ų35.858%0.58317%0.171SC*.EExtended strand (participates in β ladder)trans-65.3126.3176.2-81.6-98.2000111.6G1631 R1654 V2085F1629-G1631 VanDerWaalsContact C-N 3.31Å; F1629-R1654 CarbonylContact C-O 3.48Å; F1629-R1654 WeakPolarHBondContact CA-O 3.43Å; F1629-R1654 HydrophobicContact CD1-CB 4.1Å; F1629-R1654 HydrophobicContact CD1-CG 4.37Å; F1629-R1654 HydrophobicContact CD2-CG 4.43Å; F1629-R1654 HydrophobicContact CE1-CB 4.34Å; F1629-R1654 HydrophobicContact CE1-CG 4.22Å; F1629-R1654 HydrophobicContact CE2-CG 4.27Å; F1629-R1654 HydrophobicContact CG-CB 4.31Å; F1629-R1654 HydrophobicContact CG-CG 4.5Å; F1629-R1654 HydrophobicContact CZ-CG 4.19Å; F1629-V2085 HydrophobicContact CE2-CB 4.44Å; F1629-V2085 WeakPolarHBondContact CE2-O 3.38Å; F1629-V2085 HydrophobicContact CZ-CB 3.93Å; F1629-V2085 HydrophobicContact CZ-CG1 4.2Å
1630G93.1Very high90.1Very high38 Ų3835.5 Ų35.539%0.39217%0.167SC..EExtended strand (participates in β ladder)trans80.79-168.900000114.4A1628 R1654A1628-G1630 PolarHBondContact O-N 2.91Å; G1630-R1654 PolarHBondContact N-O 3.45Å
1631G97Very high89.5Confident0 Ų038.5 Ų38.50%018%0.183CC..EExtended strand (participates in β ladder)trans-64.3153.7-175.400000115.1D1609 A1628 F1629 L1656 S1657D1609-G1631 CarbonylContact O-C 3.6Å; D1609-G1631 VanDerWaalsContact O-CA 3.26Å; D1609-G1631 WeakPolarHBondContact O-CA 3.24Å; A1628-G1631 WeakPolarHBondContact O-CA 3.33Å; A1628-G1631 PolarHBondContact O-N 3.49Å; F1629-G1631 VanDerWaalsContact C-N 3.31Å; G1631-L1656 VanDerWaalsContact O-CA 3.28Å; G1631-L1656 WeakPolarHBondContact O-CA 3.48Å; G1631-S1657 PolarHBondContact O-N 3.35Å
1632R97.7Very high88.9Confident35 Ų3535.1 Ų35.113%0.13217%0.171CC..EExtended strand (participates in β ladder)trans-121.9111.6-171.6-67147.3-89.7164.6-0.6111.5A1534 D1540 D1609 V1610 V1611 S1657A1534-R1632 HydrophobicContact CB-CB 4.23Å; A1534-R1632 WeakPolarHBondContact O-CD 3.27Å; A1534-R1632 PolarHBondContact O-NH1 2.89Å; D1540-R1632 IonicContact OD1-CZ 3.19Å; D1540-R1632 IonicContact OD1-NH1 2.71Å; D1540-R1632 IonicContact OD1-NH2 2.77Å; D1540-R1632 PolarHBondContact OD1-NH2 3.37Å; D1540-R1632 IonicContact OD2-CZ 3.94Å; D1540-R1632 IonicContact OD2-NH1 3.7Å; D1540-R1632 PolarHBondContact OD2-NH1 2.94Å; D1540-R1632 IonicContact OD2-NH2 2.74Å; D1540-R1632 PolarHBondContact OD2-NH2 3.08Å; D1609-R1632 PolarHBondContact O-N 2.85Å; D1609-R1632 PolarHBondContact O-NE 2.89Å; V1610-R1632 CarbonylContact C-O 3.5Å; V1610-R1632 WeakPolarHBondContact CA-O 3.23Å; V1610-R1632 HydrophobicContact CG2-CB 4.28Å; V1611-R1632 PolarHBondContact N-O 3.25Å; R1632-S1657 CarbonylContact C-O 3.57Å; R1632-S1657 WeakPolarHBondContact CA-O 3.26Å
1633F96.7Very high88.1Confident2 Ų237 Ų371%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-91.4131.8172.3-156.8-101.3000110.5V1611 N1613 Q1620 I1624 L1627 E1635 S1657 L1658 Y1659V1611-F1633 HydrophobicContact CB-CD2 3.72Å; V1611-F1633 HydrophobicContact CB-CE2 3.96Å; V1611-F1633 HydrophobicContact CG1-CD2 3.95Å; V1611-F1633 HydrophobicContact CG1-CE2 3.63Å; V1611-F1633 HydrophobicContact CG2-CD2 4.41Å; N1613-F1633 HydrophobicContact CB-CE1 3.72Å; N1613-F1633 HydrophobicContact CB-CE2 3.91Å; N1613-F1633 HydrophobicContact CB-CZ 3.27Å; Q1620-F1633 HydrophobicContact CG-CE1 4.01Å; Q1620-F1633 HydrophobicContact CG-CZ 3.88Å; I1624-F1633 HydrophobicContact CB-CD2 4.39Å; I1624-F1633 HydrophobicContact CB-CE2 4.42Å; I1624-F1633 HydrophobicContact CD1-CD1 4.21Å; I1624-F1633 HydrophobicContact CD1-CD2 4.46Å; I1624-F1633 HydrophobicContact CD1-CE1 4.02Å; I1624-F1633 HydrophobicContact CD1-CE2 4.31Å; I1624-F1633 HydrophobicContact CD1-CG 4.4Å; I1624-F1633 HydrophobicContact CD1-CZ 4.05Å; I1624-F1633 HydrophobicContact CG1-CD1 3.98Å; I1624-F1633 HydrophobicContact CG1-CD2 3.41Å; I1624-F1633 VanDerWaalsContact CG1-CD2 3.41Å; I1624-F1633 HydrophobicContact CG1-CE1 3.93Å; I1624-F1633 HydrophobicContact CG1-CE2 3.38Å; I1624-F1633 HydrophobicContact CG1-CG 3.71Å; I1624-F1633 HydrophobicContact CG1-CZ 3.62Å; L1627-F1633 HydrophobicContact CD1-CB 3.77Å; L1627-F1633 HydrophobicContact CD1-CD2 4.05Å; L1627-F1633 HydrophobicContact CD1-CG 4.42Å; F1633-E1635 HydrophobicContact CD1-CB 4.44Å; F1633-E1635 HydrophobicContact CE1-CB 4.21Å; F1633-S1657 PolarHBondContact N-O 3.04Å; F1633-L1658 HydrophobicContact CB-CB 4.38Å; F1633-L1658 HydrophobicContact CB-CD1 4.49Å; F1633-L1658 HydrophobicContact CB-CG 4.39Å; F1633-L1658 HydrophobicContact CD1-CD1 3.78Å; F1633-L1658 HydrophobicContact CD1-CG 4.14Å; F1633-L1658 HydrophobicContact CE1-CD1 4.47Å; F1633-L1658 HydrophobicContact CG-CD1 4.48Å; F1633-L1658 CarbonylContact O-C 3.55Å; F1633-L1658 WeakPolarHBondContact O-CA 3.44Å; F1633-Y1659 PolarHBondContact O-N 2.78Å
1634V97.3Very high87.3Confident0 Ų043.9 Ų43.90%023%0.229CC..EExtended strand (participates in β ladder)trans-125.6112.2172.6-170.30000109.4A1529 A1534 V1611 L1612 N1613 Y1659 V1661A1529-V1634 HydrophobicContact CB-CB 4.37Å; A1529-V1634 HydrophobicContact CB-CG1 3.69Å; A1534-V1634 HydrophobicContact CB-CG2 4.28Å; V1611-V1634 PolarHBondContact O-N 3.31Å; L1612-V1634 HydrophobicContact CD1-CB 4.16Å; L1612-V1634 HydrophobicContact CD1-CG1 4.24Å; N1613-V1634 PolarHBondContact N-O 3.05Å; V1634-Y1659 CarbonylContact C-O 3.57Å; V1634-Y1659 WeakPolarHBondContact CA-O 3.28Å; V1634-Y1659 HydrophobicContact CG2-CD2 4.19Å; V1634-V1661 HydrophobicContact CG1-CG2 3.68Å
1635E94.2Very high86.3Confident5 Ų546.8 Ų46.82%0.02325%0.246CC..EExtended strand (participates in β ladder)trans-92.7119.5179.2-174.959.6-98.700110.5N1613 Q1620 F1633 G1637 I1641 Y1659 V1661N1613-E1635 PolarHBondContact ND2-OE1 2.85Å; N1613-E1635 PolarHBondContact ND2-OE2 3.45Å; N1613-E1635 VanDerWaalsContact O-OE1 3.07Å; Q1620-E1635 PolarHBondContact NE2-OE2 3.43Å; F1633-E1635 HydrophobicContact CD1-CB 4.44Å; F1633-E1635 HydrophobicContact CE1-CB 4.21Å; E1635-G1637 VanDerWaalsContact OE1-CA 3.25Å; E1635-G1637 WeakPolarHBondContact OE1-CA 3.29Å; E1635-G1637 PolarHBondContact OE1-N 3.48Å; E1635-I1641 HydrophobicContact CG-CD1 3.93Å; E1635-I1641 HydrophobicContact CG-CG1 4.48Å; E1635-Y1659 PolarHBondContact N-O 3.47Å; E1635-V1661 PolarHBondContact O-N 3.45Å
1636I91.2Very high85.5Confident36 Ų3651.9 Ų51.919%0.18526%0.263CS..  trans-110.9-3.5170.957.9162.5000112.2T1525 V1551 L1612 N1613 V1661T1525-I1636 HydrophobicContact CG2-CB 4.29Å; T1525-I1636 HydrophobicContact CG2-CD1 4.44Å; T1525-I1636 HydrophobicContact CG2-CG2 3.57Å; V1551-I1636 HydrophobicContact CB-CD1 4.27Å; V1551-I1636 HydrophobicContact CG1-CD1 3.8Å; V1551-I1636 HydrophobicContact CG2-CD1 4.46Å; L1612-I1636 HydrophobicContact CD1-CD1 4.28Å; L1612-I1636 HydrophobicContact CD1-CG1 4.22Å; L1612-I1636 HydrophobicContact CD1-CG2 3.98Å; N1613-I1636 WeakPolarHBondContact O-CG1 3.45Å; N1613-I1636 PolarHBondContact O-N 3.07Å; I1636-V1661 HydrophobicContact CG2-CB 4.03Å; I1636-V1661 HydrophobicContact CG2-CG1 4.36Å
1637G84.9Confident84.6Confident19 Ų1954.8 Ų54.820%0.19628%0.278CS..  trans-76123.6172.800000112.1E1635 I1641E1635-G1637 VanDerWaalsContact OE1-CA 3.25Å; E1635-G1637 WeakPolarHBondContact OE1-CA 3.29Å; E1635-G1637 PolarHBondContact OE1-N 3.48Å; G1637-I1641 WeakPolarHBondContact O-CD1 3.23Å
1638K76.8Confident83.8Confident49 Ų4957 Ų5721%0.21330%0.301CS..  trans-82-33.6-175.1-64.2-165.3178.4-151.40114.7Y1450 D1640 I1641 Y1642 D1662Y1450-K1638 HydrophobicContact CE2-CD 4.43Å; Y1450-K1638 PolarHBondContact OH-NZ 2.74Å; K1638-D1640 PolarHBondContact O-N 2.94Å; K1638-I1641 PolarHBondContact O-N 3.24Å; K1638-Y1642 HydrophobicContact CB-CD2 3.96Å; K1638-Y1642 HydrophobicContact CB-CE2 4.18Å; K1638-Y1642 HydrophobicContact CD-CE2 4.2Å; K1638-Y1642 HydrophobicContact CG-CE2 4.34Å; K1638-Y1642 WeakPolarHBondContact O-CD2 3.46Å; K1638-Y1642 PolarHBondContact O-N 2.88Å; K1638-D1662 WeakPolarHBondContact CE-OD1 3.39Å; K1638-D1662 VanDerWaalsContact CE-OD2 3.3Å; K1638-D1662 WeakPolarHBondContact CE-OD2 3.36Å; K1638-D1662 IonicContact NZ-OD1 3.23Å; K1638-D1662 PolarHBondContact NZ-OD1 3.42Å; K1638-D1662 IonicContact NZ-OD2 3.63Å; K1638-D1662 PolarHBondContact NZ-OD2 3.34Å
1639R72.2Confident83.3Confident168 Ų16863.4 Ų63.463%0.63433%0.334SS*.Hα-helixtrans-55.2-51.2-165.1-168.3-168.373.315113.8112.4I1641 G1643R1639-I1641 VanDerWaalsContact C-N 3.33Å; R1639-I1641 PolarHBondContact O-N 2.73Å; R1639-G1643 PolarHBondContact O-N 2.87Å
1640D75.3Confident83Confident10 Ų1062.2 Ų62.25%0.05333%0.329CS..Hα-helixtrans-78.6-20.8-171-65.16.2000112.2P1616 G1617 K1638 D1644 T1645P1616-D1640 WeakPolarHBondContact CA-OD2 3.27Å; P1616-D1640 VanDerWaalsContact CB-OD1 3.3Å; P1616-D1640 WeakPolarHBondContact CB-OD1 3.49Å; P1616-D1640 WeakPolarHBondContact CB-OD2 3.22Å; G1617-D1640 PolarHBondContact N-OD2 2.95Å; K1638-D1640 PolarHBondContact O-N 2.94Å; D1640-D1644 PolarHBondContact O-N 3.27Å; D1640-T1645 WeakPolarHBondContact CA-OG1 3.29Å; D1640-T1645 HydrophobicContact CB-CG2 4.3Å; D1640-T1645 VanDerWaalsContact O-CB 3.3Å; D1640-T1645 WeakPolarHBondContact O-CB 3.46Å; D1640-T1645 PolarHBondContact O-N 3.39Å; D1640-T1645 PolarHBondContact O-OG1 3.25Å
1641I77Confident82.6Confident81 Ų8161 Ų6142%0.41531%0.314SS..Hα-helixtrans-75.1-53172-61.5169.9000110.4E1635 G1637 K1638 R1639 G1643 D1644 A1660E1635-I1641 HydrophobicContact CG-CD1 3.93Å; E1635-I1641 HydrophobicContact CG-CG1 4.48Å; G1637-I1641 WeakPolarHBondContact O-CD1 3.23Å; K1638-I1641 PolarHBondContact O-N 3.24Å; R1639-I1641 VanDerWaalsContact C-N 3.33Å; R1639-I1641 PolarHBondContact O-N 2.73Å; I1641-G1643 PolarHBondContact O-N 3.01Å; I1641-D1644 PolarHBondContact O-N 2.84Å; I1641-A1660 HydrophobicContact CD1-CB 3.87Å
1642Y73.7Confident82.2Confident79 Ų7963.5 Ų63.531%0.3133%0.325SS..Hα-helixtrans-74.9-13.7-179.5-71.6-78.1000113.2P1451 F1453 K1638 D1662P1451-Y1642 HydrophobicContact CB-CD1 4.44Å; P1451-Y1642 HydrophobicContact CB-CD2 4.42Å; P1451-Y1642 HydrophobicContact CB-CG 4.04Å; P1451-Y1642 HydrophobicContact CG-CD2 3.88Å; P1451-Y1642 HydrophobicContact CG-CE2 4.46Å; P1451-Y1642 HydrophobicContact CG-CG 4Å; F1453-Y1642 HydrophobicContact CB-CE1 4.03Å; F1453-Y1642 HydrophobicContact CD2-CE1 4.01Å; F1453-Y1642 HydrophobicContact CG-CE1 4.26Å; K1638-Y1642 HydrophobicContact CB-CD2 3.96Å; K1638-Y1642 HydrophobicContact CB-CE2 4.18Å; K1638-Y1642 HydrophobicContact CD-CE2 4.2Å; K1638-Y1642 HydrophobicContact CG-CE2 4.34Å; K1638-Y1642 WeakPolarHBondContact O-CD2 3.46Å; K1638-Y1642 PolarHBondContact O-N 2.88Å; Y1642-D1662 PolarHBondContact OH-OD2 2.91Å
1643G71.5Confident81.9Confident52 Ų5266.4 Ų66.454%0.53634%0.336SS..THydrogen-bonded Turntrans-9916.5170.700000114.8R1639 I1641 T1645R1639-G1643 PolarHBondContact O-N 2.87Å; I1641-G1643 PolarHBondContact O-N 3.01Å; G1643-T1645 VanDerWaalsContact C-N 3.3Å; G1643-T1645 PolarHBondContact O-N 2.67Å; G1643-T1645 VanDerWaalsContact O-N 3.16Å
1644D72.8Confident81.6Confident145 Ų14567.5 Ų67.578%0.77534%0.34SS*.THydrogen-bonded Turntrans45.546.6176.1-16231000114.7D1640 I1641 R1646D1640-D1644 PolarHBondContact O-N 3.27Å; I1641-D1644 PolarHBondContact O-N 2.84Å; D1644-R1646 PolarHBondContact O-N 3.05Å
1645T72.1Confident81.5Confident63 Ų6373.8 Ų73.839%0.38737%0.374SS..  trans-74.7112.7-175.1-59.50000110.6D1640 G1643 L1647D1640-T1645 WeakPolarHBondContact CA-OG1 3.29Å; D1640-T1645 HydrophobicContact CB-CG2 4.3Å; D1640-T1645 VanDerWaalsContact O-CB 3.3Å; D1640-T1645 WeakPolarHBondContact O-CB 3.46Å; D1640-T1645 PolarHBondContact O-N 3.39Å; D1640-T1645 PolarHBondContact O-OG1 3.25Å; G1643-T1645 VanDerWaalsContact C-N 3.3Å; G1643-T1645 PolarHBondContact O-N 2.67Å; G1643-T1645 VanDerWaalsContact O-N 3.16Å; T1645-L1647 PolarHBondContact O-N 3.27Å; T1645-L1647 VanDerWaalsContact O-N 3.14Å
1646R73.2Confident81.6Confident167 Ų16774.3 Ų74.363%0.6338%0.377SS*.  trans-56.1115.1-178.3-65.6-175.6-174.4144.95.8111.8E909 D1644 G1993E909-R1646 IonicContact OE2-CZ 2.78Å; E909-R1646 IonicContact OE2-NH1 2.84Å; E909-R1646 IonicContact OE2-NH2 3.66Å; E909-R1646 PolarHBondContact OE2-NH2 3.07Å; D1644-R1646 PolarHBondContact O-N 3.05Å; R1646-G1993 PolarHBondContact NH1-O 3.39Å
1647L74.6Confident81.8Confident62 Ų6274.6 Ų74.633%0.32538%0.382SS..  trans-97.6129.3174.9-173.970.3000111.3I1624 T1645 L1649 F1652 L1658I1624-L1647 HydrophobicContact CD1-CD1 3.52Å; I1624-L1647 HydrophobicContact CD1-CD2 3.93Å; I1624-L1647 HydrophobicContact CD1-CG 4.31Å; T1645-L1647 PolarHBondContact O-N 3.27Å; T1645-L1647 VanDerWaalsContact O-N 3.14Å; L1647-L1649 PolarHBondContact O-N 3.06Å; L1647-F1652 HydrophobicContact CD2-CE2 3.98Å; L1647-F1652 HydrophobicContact CD2-CZ 4.04Å; L1647-L1658 HydrophobicContact CD2-CD1 3.63Å
1648G80Confident82.2Confident47 Ų4776.6 Ų76.649%0.48539%0.388SS..  trans-70.7126.9177.400000112.5F1650 P1651G1648-F1650 VanDerWaalsContact C-N 3.29Å; G1648-F1650 PolarHBondContact O-N 3.26Å; G1648-P1651 VanDerWaalsContact O-CD 3.24Å; G1648-P1651 WeakPolarHBondContact O-CD 3.48Å
1649L83.3Confident83Confident140 Ų14077 Ų7773%0.73339%0.388SS*.SBendtrans-75.6-12.5-178.5-61.9178.6000114.3L1647 F1652L1647-L1649 PolarHBondContact O-N 3.06Å; L1649-F1652 WeakPolarHBondContact O-CB 3.36Å; L1649-F1652 WeakPolarHBondContact O-CD2 3.42Å; L1649-F1652 PolarHBondContact O-N 3.06Å; L1649-F1652 VanDerWaalsContact O-N 3.12Å
1650F87.4Confident83.9Confident108 Ų10872.2 Ų72.247%0.47439%0.385SS..G310 helixtrans-57.2-40.2-173.3-172.6-117.3000115.4G1648 F1652 R1653G1648-F1650 VanDerWaalsContact C-N 3.29Å; G1648-F1650 PolarHBondContact O-N 3.26Å; F1650-F1652 PolarHBondContact O-N 3Å; F1650-R1653 VanDerWaalsContact CE1-CZ 3.48Å; F1650-R1653 VanDerWaalsContact CZ-NH1 3.32Å; F1650-R1653 WeakPolarHBondContact O-CB 3.25Å; F1650-R1653 VanDerWaalsContact O-CD 3.28Å; F1650-R1653 WeakPolarHBondContact O-CD 3.34Å; F1650-R1653 WeakPolarHBondContact O-CG 3.28Å; F1650-R1653 PolarHBondContact O-N 3.41Å
1651P85.1Confident84.5Confident13 Ų1372.1 Ų72.18%0.08439%0.385CS..G310 helixtrans-62.9-27.4177.4-23.936.4000113.8I1624 E1625 G1648 R1653 R1654 L1656I1624-P1651 HydrophobicContact CG2-CB 3.67Å; I1624-P1651 HydrophobicContact CG2-CG 3.98Å; E1625-P1651 HydrophobicContact CG-CG 3.94Å; G1648-P1651 VanDerWaalsContact O-CD 3.24Å; G1648-P1651 WeakPolarHBondContact O-CD 3.48Å; P1651-R1653 PolarHBondContact O-N 3.33Å; P1651-R1654 PolarHBondContact O-N 2.82Å; P1651-L1656 HydrophobicContact CB-CD1 3.97Å; P1651-L1656 WeakPolarHBondContact O-CD1 3.29Å
1652F89.4Confident85Confident53 Ų5369.5 Ų69.523%0.23237%0.371CS..G310 helixtrans-63.8-12.3-179-66.2-99.5000113.3L1647 L1649 F1650 R1654 N1655 L1656 L1658L1647-F1652 HydrophobicContact CD2-CE2 3.98Å; L1647-F1652 HydrophobicContact CD2-CZ 4.04Å; L1649-F1652 WeakPolarHBondContact O-CB 3.36Å; L1649-F1652 WeakPolarHBondContact O-CD2 3.42Å; L1649-F1652 PolarHBondContact O-N 3.06Å; L1649-F1652 VanDerWaalsContact O-N 3.12Å; F1650-F1652 PolarHBondContact O-N 3Å; F1652-R1654 PolarHBondContact O-N 3.17Å; F1652-R1654 VanDerWaalsContact O-N 3.09Å; F1652-N1655 WeakPolarHBondContact O-CA 3.48Å; F1652-N1655 PolarHBondContact O-N 3.17Å; F1652-L1656 HydrophobicContact CD1-CB 3.91Å; F1652-L1656 HydrophobicContact CE1-CB 4.4Å; F1652-L1656 HydrophobicContact CG-CB 4.38Å; F1652-L1656 PolarHBondContact O-N 2.86Å; F1652-L1658 HydrophobicContact CE1-CB 3.61Å; F1652-L1658 HydrophobicContact CZ-CB 3.75Å; F1652-L1658 HydrophobicContact CZ-CD1 4.01Å
1653R91.6Very high85.7Confident95 Ų9566.2 Ų66.236%0.35836%0.359SS..G310 helixtrans-56.2-1916877.6-168.3172.1142.1-0.6113.9F1650 P1651 N1655 V2085F1650-R1653 VanDerWaalsContact CE1-CZ 3.48Å; F1650-R1653 VanDerWaalsContact CZ-NH1 3.32Å; F1650-R1653 WeakPolarHBondContact O-CB 3.25Å; F1650-R1653 VanDerWaalsContact O-CD 3.28Å; F1650-R1653 WeakPolarHBondContact O-CD 3.34Å; F1650-R1653 WeakPolarHBondContact O-CG 3.28Å; F1650-R1653 PolarHBondContact O-N 3.41Å; P1651-R1653 PolarHBondContact O-N 3.33Å; R1653-N1655 PolarHBondContact O-N 3.02Å; R1653-V2085 HydrophobicContact CG-CG1 3.96Å
1654R90.8Very high86.3Confident26 Ų2664.2 Ų64.210%0.09834%0.338CS..G310 helixtrans-74.711.3168.7-64.9-175.6-173.71488.2113.8E1625 L1627 F1629 G1630 P1651 F1652 L1656 V2085E1625-R1654 VanDerWaalsContact C-NH1 3.32Å; E1625-R1654 PolarHBondContact O-NH1 2.83Å; E1625-R1654 PolarHBondContact O-NH2 2.62Å; L1627-R1654 WeakPolarHBondContact O-CD 3.44Å; L1627-R1654 PolarHBondContact O-NH1 3.11Å; F1629-R1654 CarbonylContact C-O 3.48Å; F1629-R1654 WeakPolarHBondContact CA-O 3.43Å; F1629-R1654 HydrophobicContact CD1-CB 4.1Å; F1629-R1654 HydrophobicContact CD1-CG 4.37Å; F1629-R1654 HydrophobicContact CD2-CG 4.43Å; F1629-R1654 HydrophobicContact CE1-CB 4.34Å; F1629-R1654 HydrophobicContact CE1-CG 4.22Å; F1629-R1654 HydrophobicContact CE2-CG 4.27Å; F1629-R1654 HydrophobicContact CG-CB 4.31Å; F1629-R1654 HydrophobicContact CG-CG 4.5Å; F1629-R1654 HydrophobicContact CZ-CG 4.19Å; G1630-R1654 PolarHBondContact N-O 3.45Å; P1651-R1654 PolarHBondContact O-N 2.82Å; F1652-R1654 PolarHBondContact O-N 3.17Å; F1652-R1654 VanDerWaalsContact O-N 3.09Å; R1654-L1656 VanDerWaalsContact C-N 3.33Å; R1654-L1656 HydrophobicContact CB-CD2 3.66Å; R1654-L1656 HydrophobicContact CB-CG 3.9Å; R1654-V2085 HydrophobicContact CG-CG1 3.45Å; R1654-V2085 VanDerWaalsContact CG-CG1 3.45Å; R1654-V2085 PolarHBondContact NE-OXT 3.26Å; R1654-V2085 PolarHBondContact NH2-OXT 3.09Å
1655N94.3Very high86.9Confident131 Ų13160.8 Ų60.870%0.70132%0.319SS*.THydrogen-bonded Turntrans56.642.2-167.2-64.3-46.6000112.9F1652 R1653F1652-N1655 WeakPolarHBondContact O-CA 3.48Å; F1652-N1655 PolarHBondContact O-N 3.17Å; R1653-N1655 PolarHBondContact O-N 3.02Å
1656L96.2Very high87.7Confident16 Ų1658.8 Ų58.88%0.08431%0.306CS..  trans-72.5148.2179.9-53.4-176.1000111.6I1624 L1627 A1628 G1631 P1651 F1652 R1654I1624-L1656 HydrophobicContact CG2-CD1 4.07Å; L1627-L1656 HydrophobicContact CB-CD1 4.12Å; L1627-L1656 HydrophobicContact CB-CD2 3.66Å; L1627-L1656 HydrophobicContact CD1-CD1 4.12Å; L1627-L1656 HydrophobicContact CD1-CD2 4.24Å; A1628-L1656 WeakPolarHBondContact O-CD2 3.27Å; G1631-L1656 VanDerWaalsContact O-CA 3.28Å; G1631-L1656 WeakPolarHBondContact O-CA 3.48Å; P1651-L1656 HydrophobicContact CB-CD1 3.97Å; P1651-L1656 WeakPolarHBondContact O-CD1 3.29Å; F1652-L1656 HydrophobicContact CD1-CB 3.91Å; F1652-L1656 HydrophobicContact CE1-CB 4.4Å; F1652-L1656 HydrophobicContact CG-CB 4.38Å; F1652-L1656 PolarHBondContact O-N 2.86Å; R1654-L1656 VanDerWaalsContact C-N 3.33Å; R1654-L1656 HydrophobicContact CB-CD2 3.66Å; R1654-L1656 HydrophobicContact CB-CG 3.9Å
1657S94.8Very high88.3Confident42 Ų4251.3 Ų51.329%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-108133.5165.9-60.20000109.8G1631 R1632 F1633G1631-S1657 PolarHBondContact O-N 3.35Å; R1632-S1657 CarbonylContact C-O 3.57Å; R1632-S1657 WeakPolarHBondContact CA-O 3.26Å; F1633-S1657 PolarHBondContact N-O 3.04Å
1658L94Very high88.8Confident62 Ų6255.7 Ų55.733%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-114.5135.1168.8-179.2149.6000110.3I1624 F1633 L1647 F1652I1624-L1658 HydrophobicContact CD1-CD1 4.3Å; F1633-L1658 HydrophobicContact CB-CB 4.38Å; F1633-L1658 HydrophobicContact CB-CD1 4.49Å; F1633-L1658 HydrophobicContact CB-CG 4.39Å; F1633-L1658 HydrophobicContact CD1-CD1 3.78Å; F1633-L1658 HydrophobicContact CD1-CG 4.14Å; F1633-L1658 HydrophobicContact CE1-CD1 4.47Å; F1633-L1658 HydrophobicContact CG-CD1 4.48Å; F1633-L1658 CarbonylContact O-C 3.55Å; F1633-L1658 WeakPolarHBondContact O-CA 3.44Å; L1647-L1658 HydrophobicContact CD2-CD1 3.63Å; F1652-L1658 HydrophobicContact CE1-CB 3.61Å; F1652-L1658 HydrophobicContact CZ-CB 3.75Å; F1652-L1658 HydrophobicContact CZ-CD1 4.01Å
1659Y94.6Very high89.2Confident57 Ų5756.2 Ų56.222%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-124.2125.9174.7-57.1-82.7000110.3L1533 F1633 V1634 E1635L1533-Y1659 HydrophobicContact CB-CD1 4.31Å; L1533-Y1659 HydrophobicContact CB-CD2 4.22Å; L1533-Y1659 HydrophobicContact CB-CE2 4.49Å; L1533-Y1659 HydrophobicContact CB-CG 4.11Å; L1533-Y1659 HydrophobicContact CD1-CG 4.38Å; L1533-Y1659 HydrophobicContact CD2-CD1 3.87Å; L1533-Y1659 HydrophobicContact CD2-CE1 4.19Å; L1533-Y1659 HydrophobicContact CD2-CG 4.4Å; L1533-Y1659 HydrophobicContact CG-CD1 4.48Å; F1633-Y1659 PolarHBondContact O-N 2.78Å; V1634-Y1659 CarbonylContact C-O 3.57Å; V1634-Y1659 WeakPolarHBondContact CA-O 3.28Å; V1634-Y1659 HydrophobicContact CG2-CD2 4.19Å; E1635-Y1659 PolarHBondContact N-O 3.47Å
1660A90.5Very high89.6Confident67 Ų6754.5 Ų54.555%0.55428%0.282SS*.EExtended strand (participates in β ladder)trans-93.1133.3169.500000110.2I1641I1641-A1660 HydrophobicContact CD1-CB 3.87Å
1661V88.3Confident89.8Confident9 Ų949.7 Ų49.76%0.05526%0.261CS..  trans-131.1103.7-173.6-179.70000111.6Y1528 L1533 V1634 E1635 I1636Y1528-V1661 HydrophobicContact CD1-CG1 3.98Å; Y1528-V1661 HydrophobicContact CD1-CG2 4.41Å; L1533-V1661 HydrophobicContact CD1-CG2 3.45Å; L1533-V1661 VanDerWaalsContact CD1-CG2 3.45Å; V1634-V1661 HydrophobicContact CG1-CG2 3.68Å; E1635-V1661 PolarHBondContact O-N 3.45Å; I1636-V1661 HydrophobicContact CG2-CB 4.03Å; I1636-V1661 HydrophobicContact CG2-CG1 4.36Å
1662D87.9Confident90.1Very high25 Ų2554.9 Ų54.913%0.13428%0.284CS..  trans-108.699.2164.6-170.2-21000110.3K1638 Y1642 A1664 L1665 L1666K1638-D1662 WeakPolarHBondContact CE-OD1 3.39Å; K1638-D1662 VanDerWaalsContact CE-OD2 3.3Å; K1638-D1662 WeakPolarHBondContact CE-OD2 3.36Å; K1638-D1662 IonicContact NZ-OD1 3.23Å; K1638-D1662 PolarHBondContact NZ-OD1 3.42Å; K1638-D1662 IonicContact NZ-OD2 3.63Å; K1638-D1662 PolarHBondContact NZ-OD2 3.34Å; Y1642-D1662 PolarHBondContact OH-OD2 2.91Å; D1662-A1664 PolarHBondContact O-N 3.15Å; D1662-A1664 WeakPolarHBondContact OD1-CA 3.09Å; D1662-A1664 WeakPolarHBondContact OD1-CB 3.27Å; D1662-A1664 PolarHBondContact OD1-N 2.96Å; D1662-L1665 HydrophobicContact CB-CB 3.86Å; D1662-L1665 PolarHBondContact O-N 3.35Å; D1662-L1665 PolarHBondContact OD1-N 3.44Å; D1662-L1666 WeakPolarHBondContact O-CG 3.37Å; D1662-L1666 PolarHBondContact O-N 3.04Å
1663L87.9Confident90.2Very high10 Ų1054 Ų545%0.05228%0.283CS..Hα-helixtrans-62.3-29.4178.8-174.964.1000112.8M1487 A1524 T1525 L1666 T1667 V1674M1487-L1663 HydrophobicContact CE-CD2 3.89Å; M1487-L1663 HydrophobicContact CE-CG 4.03Å; M1487-L1663 HydrophobicContact SD-CD2 4.02Å; M1487-L1663 HydrophobicContact SD-CG 4.28Å; A1524-L1663 HydrophobicContact CB-CD2 3.94Å; T1525-L1663 WeakPolarHBondContact OG1-CD2 3.39Å; L1663-L1666 HydrophobicContact CD1-CD1 4.38Å; L1663-L1666 PolarHBondContact O-N 3.39Å; L1663-T1667 WeakPolarHBondContact O-CG2 3.47Å; L1663-T1667 PolarHBondContact O-N 3.41Å; L1663-V1674 HydrophobicContact CD1-CG2 4.2Å
1664A82.9Confident90.3Very high11 Ų1149.5 Ų49.59%0.09127%0.266CS..Hα-helixtrans-69.1-43.1176.300000110.6I1462 D1662 L1666 T1667I1462-A1664 HydrophobicContact CD1-CB 3.78Å; D1662-A1664 PolarHBondContact O-N 3.15Å; D1662-A1664 WeakPolarHBondContact OD1-CA 3.09Å; D1662-A1664 WeakPolarHBondContact OD1-CB 3.27Å; D1662-A1664 PolarHBondContact OD1-N 2.96Å; A1664-L1666 VanDerWaalsContact C-N 3.28Å; A1664-L1666 PolarHBondContact O-N 2.82Å; A1664-T1667 WeakPolarHBondContact O-CB 3.41Å; A1664-T1667 PolarHBondContact O-N 3.44Å; A1664-T1667 PolarHBondContact O-OG1 2.91Å
1665L85.8Confident90.4Very high72 Ų7250 Ų5038%0.37727%0.268SS..Hα-helixtrans-64.5-32.5174-170.864.3000112.1F1453 D1662 T1667 H1668 S1669F1453-L1665 HydrophobicContact CD1-CD1 4.39Å; D1662-L1665 HydrophobicContact CB-CB 3.86Å; D1662-L1665 PolarHBondContact O-N 3.35Å; D1662-L1665 PolarHBondContact OD1-N 3.44Å; L1665-T1667 VanDerWaalsContact C-N 3.29Å; L1665-T1667 PolarHBondContact O-N 3.01Å; L1665-H1668 PolarHBondContact O-N 3.15Å; L1665-S1669 WeakPolarHBondContact O-CB 3.25Å; L1665-S1669 PolarHBondContact O-N 3.33Å; L1665-S1669 PolarHBondContact O-OG 2.86Å
1666L88.3Confident90.5Very high21 Ų2148.8 Ų48.811%0.1125%0.254CS..Hα-helixtrans-65.9-26.3171.5-68.9174.6000113.1Y1528 D1662 L1663 A1664 H1668 H1670 V1674Y1528-L1666 HydrophobicContact CD1-CD1 4Å; Y1528-L1666 HydrophobicContact CE1-CD1 3.62Å; D1662-L1666 WeakPolarHBondContact O-CG 3.37Å; D1662-L1666 PolarHBondContact O-N 3.04Å; L1663-L1666 HydrophobicContact CD1-CD1 4.38Å; L1663-L1666 PolarHBondContact O-N 3.39Å; A1664-L1666 VanDerWaalsContact C-N 3.28Å; A1664-L1666 PolarHBondContact O-N 2.82Å; L1666-H1668 VanDerWaalsContact C-N 3.29Å; L1666-H1668 PolarHBondContact O-N 3.1Å; L1666-H1670 HydrophobicContact CD2-CB 4Å; L1666-H1670 CarbonylContact O-C 3.51Å; L1666-H1670 WeakPolarHBondContact O-CA 3.4Å; L1666-H1670 PolarHBondContact O-N 2.85Å; L1666-V1674 HydrophobicContact CB-CG2 3.83Å; L1666-V1674 WeakPolarHBondContact O-CG2 3.2Å
1667T87.8Confident90.4Very high10 Ų1048 Ų486%0.06125%0.25CC..Hα-helixtrans-64.5-34.717471.90000112.4M1487 L1503 L1663 A1664 L1665 V1674M1487-T1667 HydrophobicContact CB-CG2 4.18Å; M1487-T1667 HydrophobicContact CE-CG2 4.14Å; M1487-T1667 HydrophobicContact SD-CG2 4.31Å; L1503-T1667 HydrophobicContact CD1-CG2 4.5Å; L1503-T1667 HydrophobicContact CD2-CG2 4.28Å; L1663-T1667 WeakPolarHBondContact O-CG2 3.47Å; L1663-T1667 PolarHBondContact O-N 3.41Å; A1664-T1667 WeakPolarHBondContact O-CB 3.41Å; A1664-T1667 PolarHBondContact O-N 3.44Å; A1664-T1667 PolarHBondContact O-OG1 2.91Å; L1665-T1667 VanDerWaalsContact C-N 3.29Å; L1665-T1667 PolarHBondContact O-N 3.01Å; T1667-V1674 HydrophobicContact CG2-CG1 4.47Å; T1667-V1674 HydrophobicContact CG2-CG2 4.43Å
1668H83.7Confident90.3Very high154 Ų15446 Ų4671%0.71324%0.236SC*.Hα-helixtrans-83.9-49.6177.5-169.176.9000112L1665 L1666L1665-H1668 PolarHBondContact O-N 3.15Å; L1666-H1668 VanDerWaalsContact C-N 3.29Å; L1666-H1668 PolarHBondContact O-N 3.1Å
1669S88.2Confident90.3Very high59 Ų5947.7 Ų47.741%0.41324%0.24SC..Hα-helixtrans-80.1-36.2-172.759.70000114.4L1665L1665-S1669 WeakPolarHBondContact O-CB 3.25Å; L1665-S1669 PolarHBondContact O-N 3.33Å; L1665-S1669 PolarHBondContact O-OG 2.86Å
1670H91.9Very high90.2Very high104 Ų10446.5 Ų46.548%0.48124%0.239SC..  trans-136.953.7-171.8-64.187.1000112.7L1666 H1672 T1673 V1674L1666-H1670 HydrophobicContact CD2-CB 4Å; L1666-H1670 CarbonylContact O-C 3.51Å; L1666-H1670 WeakPolarHBondContact O-CA 3.4Å; L1666-H1670 PolarHBondContact O-N 2.85Å; H1670-H1672 PolarHBondContact O-N 3.17Å; H1670-H1672 VanDerWaalsContact O-N 3.07Å; H1670-T1673 WeakPolarHBondContact O-CA 3.35Å; H1670-T1673 WeakPolarHBondContact O-CB 3.39Å; H1670-T1673 PolarHBondContact O-N 3.37Å; H1670-V1674 PolarHBondContact O-N 2.8Å
1671P91.3Very high90.3Very high6 Ų643.3 Ų43.34%0.03921%0.213CC..Hα-helixtrans-57.9-29.7-174.620.9-33.1000113.8R1502 L1503 V1674 R1675R1502-P1671 HydrophobicContact CB-CB 4.17Å; R1502-P1671 VanDerWaalsContact CZ-CG 3.49Å; L1503-P1671 HydrophobicContact CD2-CB 3.76Å; L1503-P1671 HydrophobicContact CG-CB 4.3Å; P1671-V1674 PolarHBondContact O-N 3.02Å; P1671-R1675 WeakPolarHBondContact O-CB 3.33Å; P1671-R1675 PolarHBondContact O-N 2.87Å
1672H91Very high90.6Very high122 Ų12243 Ų4357%0.56521%0.21SC*.Hα-helixtrans-68.2-31.6175-63.1-81.8000113.1R1502 H1670 R1676R1502-H1672 VanDerWaalsContact CD-CE1 3.46Å; R1502-H1672 WeakPolarHBondContact CD-CE1 3.49Å; R1502-H1672 WeakPolarHBondContact CD-NE2 3.4Å; R1502-H1672 PolarHBondContact NH1-NE2 2.63Å; H1670-H1672 PolarHBondContact O-N 3.17Å; H1670-H1672 VanDerWaalsContact O-N 3.07Å; H1672-R1676 PolarHBondContact O-N 2.7Å; H1672-R1676 VanDerWaalsContact O-N 3.13Å
1673T92.5Very high90.7Very high35 Ų3546.1 Ų46.122%0.21522%0.224CC..Hα-helixtrans-70.1-46.5173.1-59.10000110.4Y1528 H1670 R1675 R1676 L1677Y1528-T1673 HydrophobicContact CD2-CG2 4.5Å; Y1528-T1673 HydrophobicContact CE2-CG2 3.92Å; H1670-T1673 WeakPolarHBondContact O-CA 3.35Å; H1670-T1673 WeakPolarHBondContact O-CB 3.39Å; H1670-T1673 PolarHBondContact O-N 3.37Å; T1673-R1675 VanDerWaalsContact C-N 3.3Å; T1673-R1675 PolarHBondContact O-N 3.41Å; T1673-R1676 WeakPolarHBondContact O-CB 3.41Å; T1673-R1676 PolarHBondContact O-N 2.64Å; T1673-R1676 VanDerWaalsContact O-N 3.17Å; T1673-L1677 HydrophobicContact CG2-CD1 4.24Å; T1673-L1677 WeakPolarHBondContact O-CG 3.18Å; T1673-L1677 PolarHBondContact O-N 2.91Å
1674V93.6Very high90.8Very high0 Ų047.9 Ų47.90%023%0.232CC..Hα-helixtrans-58.5-43.5174.3-178.80000110.6M1487 L1503 L1663 L1666 T1667 H1670 P1671 R1676 L1677 L1678M1487-V1674 HydrophobicContact SD-CG1 4.09Å; L1503-V1674 HydrophobicContact CD2-CB 4.01Å; L1503-V1674 HydrophobicContact CD2-CG1 4Å; L1663-V1674 HydrophobicContact CD1-CG2 4.2Å; L1666-V1674 HydrophobicContact CB-CG2 3.83Å; L1666-V1674 WeakPolarHBondContact O-CG2 3.2Å; T1667-V1674 HydrophobicContact CG2-CG1 4.47Å; T1667-V1674 HydrophobicContact CG2-CG2 4.43Å; H1670-V1674 PolarHBondContact O-N 2.8Å; P1671-V1674 PolarHBondContact O-N 3.02Å; V1674-R1676 VanDerWaalsContact C-N 3.33Å; V1674-R1676 PolarHBondContact O-N 3.36Å; V1674-L1677 PolarHBondContact O-N 3.33Å; V1674-L1678 HydrophobicContact CG1-CD1 3.98Å; V1674-L1678 HydrophobicContact CG1-CG 4.19Å; V1674-L1678 VanDerWaalsContact O-CG 3.32Å; V1674-L1678 WeakPolarHBondContact O-CG 3.3Å; V1674-L1678 PolarHBondContact O-N 2.89Å
1675R93.4Very high91.1Very high36 Ų3647.6 Ų47.614%0.13623%0.229CC..Hα-helixtrans-59.3-40.1176.2-163.1177.3179.4-126.9-2.5113.7E1477 R1502 V1505 P1671 T1673 K1679E1477-R1675 IonicContact OE1-CZ 2.84Å; E1477-R1675 IonicContact OE1-NH1 3.81Å; E1477-R1675 PolarHBondContact OE1-NH1 2.87Å; E1477-R1675 IonicContact OE1-NH2 2.68Å; E1477-R1675 PolarHBondContact OE1-NH2 3.01Å; E1477-R1675 IonicContact OE2-CZ 2.8Å; E1477-R1675 IonicContact OE2-NE 3.88Å; E1477-R1675 IonicContact OE2-NH1 2.66Å; E1477-R1675 PolarHBondContact OE2-NH1 2.95Å; E1477-R1675 IonicContact OE2-NH2 3.75Å; E1477-R1675 PolarHBondContact OE2-NH2 2.97Å; E1477-R1675 VanDerWaalsContact OE2-NH2 3.1Å; R1502-R1675 WeakPolarHBondContact O-CB 3.21Å; R1502-R1675 VanDerWaalsContact O-CD 3.23Å; R1502-R1675 WeakPolarHBondContact O-CD 3.28Å; R1502-R1675 WeakPolarHBondContact O-CG 3.33Å; V1505-R1675 HydrophobicContact CG2-CG 4.04Å; P1671-R1675 WeakPolarHBondContact O-CB 3.33Å; P1671-R1675 PolarHBondContact O-N 2.87Å; T1673-R1675 VanDerWaalsContact C-N 3.3Å; T1673-R1675 PolarHBondContact O-N 3.41Å; R1675-K1679 VanDerWaalsContact NH2-NZ 3.2Å; R1675-K1679 WeakPolarHBondContact O-CG 3.31Å; R1675-K1679 PolarHBondContact O-N 3.21Å; R1675-K1679 VanDerWaalsContact O-N 3.17Å
1676R95Very high91.2Very high107 Ų10746.5 Ų46.540%0.40423%0.226SC..Hα-helixtrans-63.2-50.6174.4178.4179.259.2770.2110.1D1532 H1672 T1673 V1674 L1678 K1679 T1680D1532-R1676 IonicContact OD1-NH1 3.37Å; D1532-R1676 IonicContact OD2-CZ 3.13Å; D1532-R1676 IonicContact OD2-NH1 3.71Å; D1532-R1676 PolarHBondContact OD2-NH1 3.14Å; D1532-R1676 IonicContact OD2-NH2 2.75Å; D1532-R1676 PolarHBondContact OD2-NH2 3.37Å; H1672-R1676 PolarHBondContact O-N 2.7Å; H1672-R1676 VanDerWaalsContact O-N 3.13Å; T1673-R1676 WeakPolarHBondContact O-CB 3.41Å; T1673-R1676 PolarHBondContact O-N 2.64Å; T1673-R1676 VanDerWaalsContact O-N 3.17Å; V1674-R1676 VanDerWaalsContact C-N 3.33Å; V1674-R1676 PolarHBondContact O-N 3.36Å; R1676-L1678 PolarHBondContact O-N 3.18Å; R1676-K1679 PolarHBondContact O-N 2.73Å; R1676-T1680 PolarHBondContact O-N 3.1Å; R1676-T1680 PolarHBondContact O-OG1 3.37Å
1677L94.3Very high91.2Very high0 Ų050.6 Ų50.60%024%0.244CC..Hα-helixtrans-57.2-47.2178.9-70165.3000111.8A1524 W1527 Y1528 T1673 V1674 K1679 T1680 V1681A1524-L1677 HydrophobicContact CB-CB 4.1Å; W1527-L1677 HydrophobicContact CG-CD2 4.48Å; Y1528-L1677 HydrophobicContact CD2-CD1 3.78Å; Y1528-L1677 HydrophobicContact CD2-CD2 4.08Å; Y1528-L1677 HydrophobicContact CD2-CG 4.41Å; Y1528-L1677 HydrophobicContact CG-CD1 3.9Å; Y1528-L1677 HydrophobicContact CG-CD2 4.43Å; T1673-L1677 HydrophobicContact CG2-CD1 4.24Å; T1673-L1677 WeakPolarHBondContact O-CG 3.18Å; T1673-L1677 PolarHBondContact O-N 2.91Å; V1674-L1677 PolarHBondContact O-N 3.33Å; L1677-K1679 PolarHBondContact O-N 3.11Å; L1677-T1680 PolarHBondContact O-N 3.44Å; L1677-T1680 VanDerWaalsContact O-N 3.17Å; L1677-V1681 WeakPolarHBondContact O-CG1 3.36Å; L1677-V1681 WeakPolarHBondContact O-CG2 3.25Å; L1677-V1681 PolarHBondContact O-N 2.89Å
1678L94.3Very high90.8Very high0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-57.2-45.6176.8-71172.9000112.2L1503 V1505 P1520 V1674 R1676 Y1682L1503-L1678 WeakPolarHBondContact O-CD1 3.47Å; V1505-L1678 HydrophobicContact CB-CB 4.39Å; V1505-L1678 HydrophobicContact CG2-CB 3.64Å; V1505-L1678 HydrophobicContact CG2-CD1 4.22Å; P1520-L1678 HydrophobicContact CB-CD2 3.7Å; P1520-L1678 HydrophobicContact CG-CD2 4.08Å; V1674-L1678 HydrophobicContact CG1-CD1 3.98Å; V1674-L1678 HydrophobicContact CG1-CG 4.19Å; V1674-L1678 VanDerWaalsContact O-CG 3.32Å; V1674-L1678 WeakPolarHBondContact O-CG 3.3Å; V1674-L1678 PolarHBondContact O-N 2.89Å; R1676-L1678 PolarHBondContact O-N 3.18Å; L1678-Y1682 WeakPolarHBondContact O-CB 3.35Å; L1678-Y1682 WeakPolarHBondContact O-CD2 2.94Å; L1678-Y1682 PolarHBondContact O-N 3.33Å; L1678-Y1682 VanDerWaalsContact O-N 3.08Å
1679K93.4Very high90.7Very high96 Ų9648.9 Ų48.942%0.41726%0.255SS..Hα-helixtrans-60.7-47.2174.2-75.5-179.5179.3-175.40111.8V1505 R1675 R1676 L1677 Q1683V1505-K1679 HydrophobicContact CB-CG 4.46Å; V1505-K1679 HydrophobicContact CG1-CG 3.57Å; V1505-K1679 HydrophobicContact CG2-CG 3.96Å; R1675-K1679 VanDerWaalsContact NH2-NZ 3.2Å; R1675-K1679 WeakPolarHBondContact O-CG 3.31Å; R1675-K1679 PolarHBondContact O-N 3.21Å; R1675-K1679 VanDerWaalsContact O-N 3.17Å; R1676-K1679 PolarHBondContact O-N 2.73Å; L1677-K1679 PolarHBondContact O-N 3.11Å; K1679-Q1683 VanDerWaalsContact O-CB 3.29Å; K1679-Q1683 WeakPolarHBondContact O-CB 3.39Å; K1679-Q1683 PolarHBondContact O-N 3.05Å
1680T92.4Very high90.5Very high33 Ų3346.1 Ų46.120%0.20224%0.236CC..Hα-helixtrans-61.2-48.6-179.9-660000112.1W1527 R1676 L1677 Q1683 H1684W1527-T1680 HydrophobicContact CD2-CG2 3.96Å; W1527-T1680 VanDerWaalsContact CE2-CG2 3.48Å; W1527-T1680 HydrophobicContact CG-CG2 4.43Å; W1527-T1680 HydrophobicContact CH2-CG2 4.31Å; W1527-T1680 HydrophobicContact CZ2-CG2 3.69Å; R1676-T1680 PolarHBondContact O-N 3.1Å; R1676-T1680 PolarHBondContact O-OG1 3.37Å; L1677-T1680 PolarHBondContact O-N 3.44Å; L1677-T1680 VanDerWaalsContact O-N 3.17Å; T1680-Q1683 PolarHBondContact O-N 2.66Å; T1680-H1684 PolarHBondContact O-CD2 3.49Å; T1680-H1684 VanDerWaalsContact O-CD2 3.28Å; T1680-H1684 PolarHBondContact O-N 3.4Å
1681V92.8Very high89.8Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-71.8-38.8-177.1-57.80000112.4V1519 W1527 L1677 Q1683 H1684 T1685 L1690V1519-V1681 HydrophobicContact CG1-CB 4.18Å; V1519-V1681 HydrophobicContact CG1-CG2 3.79Å; W1527-V1681 HydrophobicContact CB-CG1 3.93Å; W1527-V1681 HydrophobicContact CG-CG1 4.29Å; L1677-V1681 WeakPolarHBondContact O-CG1 3.36Å; L1677-V1681 WeakPolarHBondContact O-CG2 3.25Å; L1677-V1681 PolarHBondContact O-N 2.89Å; V1681-Q1683 VanDerWaalsContact C-N 3.34Å; V1681-Q1683 PolarHBondContact O-N 3.36Å; V1681-H1684 PolarHBondContact O-N 2.89Å; V1681-T1685 WeakPolarHBondContact O-CB 3.46Å; V1681-T1685 PolarHBondContact O-N 3.02Å; V1681-T1685 PolarHBondContact O-OG1 3.25Å; V1681-T1685 VanDerWaalsContact O-OG1 3.05Å; V1681-L1690 HydrophobicContact CB-CD1 3.84Å; V1681-L1690 HydrophobicContact CG1-CD1 4.06Å
1682Y93.6Very high89.2Confident2 Ų248 Ų481%0.00826%0.256CS..Hα-helixtrans-63.9-39.7174.8-75.1-45.6000112.4G1485 V1505 L1507 L1511 A1516 V1519 P1520 L1678 V1686G1485-Y1682 WeakPolarHBondContact CA-OH 3.48Å; V1505-Y1682 HydrophobicContact CB-CD2 4.49Å; V1505-Y1682 HydrophobicContact CG1-CD2 4.37Å; L1507-Y1682 HydrophobicContact CD2-CD1 4.15Å; L1507-Y1682 HydrophobicContact CD2-CD2 3.89Å; L1507-Y1682 HydrophobicContact CD2-CE1 3.87Å; L1507-Y1682 HydrophobicContact CD2-CE2 3.6Å; L1507-Y1682 HydrophobicContact CD2-CG 4.16Å; L1511-Y1682 HydrophobicContact CD2-CD1 3.41Å; L1511-Y1682 VanDerWaalsContact CD2-CD1 3.41Å; L1511-Y1682 HydrophobicContact CD2-CE1 3.93Å; L1511-Y1682 HydrophobicContact CD2-CG 4.24Å; A1516-Y1682 HydrophobicContact CB-CE1 3.87Å; A1516-Y1682 VanDerWaalsContact O-CE1 3.3Å; A1516-Y1682 WeakPolarHBondContact O-CE1 3.31Å; A1516-Y1682 PolarHBondContact O-OH 2.93Å; V1519-Y1682 HydrophobicContact CB-CD1 4.21Å; V1519-Y1682 HydrophobicContact CB-CE1 3.86Å; V1519-Y1682 HydrophobicContact CG1-CD1 4.15Å; V1519-Y1682 HydrophobicContact CG1-CE1 4.23Å; V1519-Y1682 HydrophobicContact CG2-CD1 4.48Å; V1519-Y1682 HydrophobicContact CG2-CE1 4.29Å; P1520-Y1682 HydrophobicContact CG-CE1 4.42Å; P1520-Y1682 WeakPolarHBondContact CG-OH 3.45Å; L1678-Y1682 WeakPolarHBondContact O-CB 3.35Å; L1678-Y1682 WeakPolarHBondContact O-CD2 2.94Å; L1678-Y1682 PolarHBondContact O-N 3.33Å; L1678-Y1682 VanDerWaalsContact O-N 3.08Å; Y1682-V1686 PolarHBondContact O-N 3.45Å
1683Q90.5Very high88.7Confident90 Ų9043.4 Ų43.442%0.42124%0.237SC..Hα-helixtrans-63.2-51.8175.8-176.46228.700111.2K1679 T1680 V1681 T1685 V1686 E1687K1679-Q1683 VanDerWaalsContact O-CB 3.29Å; K1679-Q1683 WeakPolarHBondContact O-CB 3.39Å; K1679-Q1683 PolarHBondContact O-N 3.05Å; T1680-Q1683 PolarHBondContact O-N 2.66Å; V1681-Q1683 VanDerWaalsContact C-N 3.34Å; V1681-Q1683 PolarHBondContact O-N 3.36Å; Q1683-T1685 VanDerWaalsContact C-N 3.28Å; Q1683-T1685 PolarHBondContact O-N 3.13Å; Q1683-V1686 PolarHBondContact O-N 2.92Å; Q1683-E1687 WeakPolarHBondContact CG-OE1 3.48Å; Q1683-E1687 PolarHBondContact NE2-OE1 3.03Å; Q1683-E1687 WeakPolarHBondContact O-CG 3.4Å; Q1683-E1687 PolarHBondContact O-N 3.46Å
1684H90Very high88.2Confident47 Ų4748.3 Ų48.322%0.21826%0.258CS..Hα-helixtrans-68.8-22.4-179.2-69.9-41.3000114W1527 T1680 V1681 E1687 G1688 T1689 L1690W1527-H1684 AromaticContact CH2-CD2 3.19Å; W1527-H1684 WeakPolarHBondContact CH2-CD2 3.36Å; W1527-H1684 AromaticContact CH2-NE2 3.48Å; W1527-H1684 WeakPolarHBondContact CH2-NE2 3.4Å; W1527-H1684 AromaticContact CZ2-CD2 3.79Å; W1527-H1684 AromaticContact CZ2-NE2 3.85Å; W1527-H1684 HydrophobicContact CZ3-CB 4.48Å; W1527-H1684 AromaticContact CZ3-CD2 3.49Å; W1527-H1684 VanDerWaalsContact CZ3-CD2 3.49Å; W1527-H1684 WeakPolarHBondContact CZ3-CD2 3.49Å; T1680-H1684 PolarHBondContact O-CD2 3.49Å; T1680-H1684 VanDerWaalsContact O-CD2 3.28Å; T1680-H1684 PolarHBondContact O-N 3.4Å; V1681-H1684 PolarHBondContact O-N 2.89Å; H1684-E1687 IonicContact CE1-OE2 3.53Å; H1684-E1687 PolarHBondContact CE1-OE2 3.47Å; H1684-E1687 IonicContact CG-OE2 2.73Å; H1684-E1687 IonicContact ND1-OE2 3.24Å; H1684-E1687 PolarHBondContact ND1-OE2 2.99Å; H1684-G1688 PolarHBondContact O-N 2.91Å; H1684-T1689 WeakPolarHBondContact CA-OG1 3.43Å; H1684-T1689 WeakPolarHBondContact CB-OG1 3.42Å; H1684-T1689 PolarHBondContact ND1-OG1 2.89Å; H1684-T1689 PolarHBondContact O-N 2.95Å; H1684-T1689 VanDerWaalsContact O-N 3.13Å; H1684-T1689 PolarHBondContact O-OG1 3.05Å; H1684-L1690 HydrophobicContact CB-CB 4.42Å; H1684-L1690 HydrophobicContact CB-CD1 3.89Å; H1684-L1690 HydrophobicContact CB-CG 3.87Å; H1684-L1690 PolarHBondContact O-N 2.84Å
1685T90Very high87.8Confident5 Ų550.6 Ų50.63%0.03127%0.272CS..Hα-helixtrans-71.3-31.7169.4-68.50000112.4L1511 V1519 V1681 Q1683 L1690 V1692L1511-T1685 HydrophobicContact CD1-CG2 3.96Å; V1519-T1685 HydrophobicContact CG2-CG2 4.32Å; V1681-T1685 WeakPolarHBondContact O-CB 3.46Å; V1681-T1685 PolarHBondContact O-N 3.02Å; V1681-T1685 PolarHBondContact O-OG1 3.25Å; V1681-T1685 VanDerWaalsContact O-OG1 3.05Å; Q1683-T1685 VanDerWaalsContact C-N 3.28Å; Q1683-T1685 PolarHBondContact O-N 3.13Å; T1685-L1690 WeakPolarHBondContact CA-O 3.46Å; T1685-V1692 HydrophobicContact CG2-CB 4.41Å; T1685-V1692 HydrophobicContact CG2-CG2 3.73Å
1686V87.7Confident87.5Confident50 Ų5051.4 Ų51.430%0.30328%0.28SS..Hα-helixtrans-79.5-34.8174.7171.40000111.9P1508 E1510 L1511 Y1682 Q1683 G1688P1508-V1686 HydrophobicContact CB-CG2 3.97Å; P1508-V1686 HydrophobicContact CG-CG2 4.02Å; E1510-V1686 HydrophobicContact CB-CG1 3.83Å; E1510-V1686 HydrophobicContact CB-CG2 4.49Å; E1510-V1686 HydrophobicContact CG-CG1 4.25Å; L1511-V1686 HydrophobicContact CB-CG2 3.8Å; L1511-V1686 HydrophobicContact CD1-CG2 4.32Å; L1511-V1686 HydrophobicContact CG-CG2 4.47Å; Y1682-V1686 PolarHBondContact O-N 3.45Å; Q1683-V1686 PolarHBondContact O-N 2.92Å; V1686-G1688 PolarHBondContact O-N 3.01Å
1687E87Confident87.4Confident107 Ų10749.7 Ų49.750%0.528%0.277SS..THydrogen-bonded Turntrans-70.6-12.9173.4-68.5169.1174.300113.4Q1683 H1684 T1689Q1683-E1687 WeakPolarHBondContact CG-OE1 3.48Å; Q1683-E1687 PolarHBondContact NE2-OE1 3.03Å; Q1683-E1687 WeakPolarHBondContact O-CG 3.4Å; Q1683-E1687 PolarHBondContact O-N 3.46Å; H1684-E1687 IonicContact CE1-OE2 3.53Å; H1684-E1687 PolarHBondContact CE1-OE2 3.47Å; H1684-E1687 IonicContact CG-OE2 2.73Å; H1684-E1687 IonicContact ND1-OE2 3.24Å; H1684-E1687 PolarHBondContact ND1-OE2 2.99Å; E1687-T1689 VanDerWaalsContact C-N 3.28Å; E1687-T1689 PolarHBondContact O-N 2.82Å
1688G81.3Confident87.3Confident56 Ų5652.4 Ų52.458%0.57729%0.288SS*.THydrogen-bonded Turntrans80.4-0.2-179.900000115.1H1684 V1686H1684-G1688 PolarHBondContact O-N 2.91Å; V1686-G1688 PolarHBondContact O-N 3.01Å
1689T80.5Confident87.3Confident71 Ų7154.7 Ų54.744%0.43630%0.302SS..SBendtrans-67.8-33.3171.431.70000113H1684 E1687H1684-T1689 WeakPolarHBondContact CA-OG1 3.43Å; H1684-T1689 WeakPolarHBondContact CB-OG1 3.42Å; H1684-T1689 PolarHBondContact ND1-OG1 2.89Å; H1684-T1689 PolarHBondContact O-N 2.95Å; H1684-T1689 VanDerWaalsContact O-N 3.13Å; H1684-T1689 PolarHBondContact O-OG1 3.05Å; E1687-T1689 VanDerWaalsContact C-N 3.28Å; E1687-T1689 PolarHBondContact O-N 2.82Å
1690L85.1Confident87.2Confident2 Ų250.3 Ų50.31%0.0128%0.284CS..SBendtrans-101.1132.3162.1-68.6175.8000108.3W1527 I1558 V1681 H1684 T1685W1527-L1690 HydrophobicContact CE3-CD1 4.16Å; W1527-L1690 HydrophobicContact CE3-CD2 4.28Å; W1527-L1690 HydrophobicContact CE3-CG 4.5Å; W1527-L1690 HydrophobicContact CZ3-CD1 4.42Å; W1527-L1690 HydrophobicContact CZ3-CD2 4.36Å; W1527-L1690 HydrophobicContact CZ3-CG 4.4Å; I1558-L1690 HydrophobicContact CD1-CD2 3.97Å; I1558-L1690 HydrophobicContact CG1-CD2 3.45Å; I1558-L1690 VanDerWaalsContact CG1-CD2 3.45Å; V1681-L1690 HydrophobicContact CB-CD1 3.84Å; V1681-L1690 HydrophobicContact CG1-CD1 4.06Å; H1684-L1690 HydrophobicContact CB-CB 4.42Å; H1684-L1690 HydrophobicContact CB-CD1 3.89Å; H1684-L1690 HydrophobicContact CB-CG 3.87Å; H1684-L1690 PolarHBondContact O-N 2.84Å; T1685-L1690 WeakPolarHBondContact CA-O 3.46Å
1691P76.7Confident87.1Confident68 Ų6854.9 Ų54.944%0.44230%0.302SS..PPolyproline II helixtrans-64.8141.6172.527.8-34.5000110A1557 P1693A1557-P1691 HydrophobicContact CB-CG 3.8Å; P1691-P1693 WeakPolarHBondContact O-CD 3.33Å
1692V78.7Confident87.1Confident81 Ų8157.7 Ų57.749%0.49132%0.317SS..PPolyproline II helixtrans-60.2122.8161.3-179.90000107.1A1515 T1685 Q1694A1515-V1692 HydrophobicContact CB-CG1 4.17Å; T1685-V1692 HydrophobicContact CG2-CB 4.41Å; T1685-V1692 HydrophobicContact CG2-CG2 3.73Å; V1692-Q1694 PolarHBondContact O-N 3.46Å
1693P80.4Confident87Confident26 Ų2657.7 Ų57.717%0.16932%0.317CS..PPolyproline II helixtrans-58.4135.9179-24.234.1000110.9A1518 V1519 P1691 T1695 K1718A1518-P1693 HydrophobicContact CB-CB 4.24Å; A1518-P1693 HydrophobicContact CB-CG 4.36Å; V1519-P1693 HydrophobicContact CG2-CG 4.29Å; P1691-P1693 WeakPolarHBondContact O-CD 3.33Å; P1693-T1695 PolarHBondContact O-N 3.33Å; P1693-K1718 HydrophobicContact CB-CB 4.34Å; P1693-K1718 HydrophobicContact CB-CG 4.29Å
1694Q81Confident86.8Confident138 Ų13854.2 Ų54.265%0.64530%0.304SS*.PPolyproline II helixtrans-60.5125.6165.7-75.3-173.8-16.100108.7V1692 G1717 K1718V1692-Q1694 PolarHBondContact O-N 3.46Å; Q1694-G1717 CarbonylContact O-C 3.21Å; Q1694-G1717 WeakPolarHBondContact O-CA 3.3Å; Q1694-K1718 PolarHBondContact O-N 3.02Å
1695T85.7Confident86.8Confident48 Ų4855.2 Ų55.229%0.29431%0.314SS..EExtended strand (participates in β ladder)trans-109.5131.2-179.252.10000111.9A1518 P1693 H1697 K1718 V1720A1518-T1695 HydrophobicContact CB-CG2 3.51Å; P1693-T1695 PolarHBondContact O-N 3.33Å; T1695-H1697 VanDerWaalsContact CB-NE2 3.31Å; T1695-H1697 WeakPolarHBondContact CB-NE2 3.19Å; T1695-H1697 PolarHBondContact OG1-CD2 2.92Å; T1695-H1697 VanDerWaalsContact OG1-CD2 3.25Å; T1695-H1697 PolarHBondContact OG1-NE2 3.4Å; T1695-K1718 CarbonylContact C-O 3.54Å; T1695-K1718 WeakPolarHBondContact CA-O 3.21Å; T1695-V1720 HydrophobicContact CG2-CG2 3.69Å
1696T88.1Confident86.7Confident52 Ų5255 Ų5532%0.31931%0.312SS..EExtended strand (participates in β ladder)trans-98.7113.1162.3-53.30000107.6Y1698 K1718 V1719 V1720T1696-Y1698 HydrophobicContact CG2-CD2 4.22Å; T1696-Y1698 HydrophobicContact CG2-CE2 3.59Å; T1696-K1718 PolarHBondContact N-O 3.1Å; T1696-V1719 WeakPolarHBondContact O-CA 3.36Å; T1696-V1720 PolarHBondContact O-N 2.69Å
1697H91.2Very high86.7Confident72 Ų7252.6 Ų52.633%0.33330%0.298SS..EExtended strand (participates in β ladder)trans-89.4132.3-178.6-76.7-99000110.9T1695 D1722T1695-H1697 VanDerWaalsContact CB-NE2 3.31Å; T1695-H1697 WeakPolarHBondContact CB-NE2 3.19Å; T1695-H1697 PolarHBondContact OG1-CD2 2.92Å; T1695-H1697 VanDerWaalsContact OG1-CD2 3.25Å; T1695-H1697 PolarHBondContact OG1-NE2 3.4Å; H1697-D1722 WeakPolarHBondContact CB-OD2 3.25Å; H1697-D1722 IonicContact CE1-OD1 3.17Å; H1697-D1722 IonicContact CG-OD1 2.74Å; H1697-D1722 IonicContact CG-OD2 3.21Å; H1697-D1722 IonicContact ND1-OD1 2.72Å; H1697-D1722 PolarHBondContact ND1-OD1 2.81Å; H1697-D1722 IonicContact ND1-OD2 2.77Å; H1697-D1722 PolarHBondContact ND1-OD2 3.06Å
1698Y93.3Very high86.6Confident57 Ų5753.6 Ų53.622%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-124.7144.1166.9-75.9-88.1000108.6T1696 D1702 V1705 A1706 L1709 V1719 V1720 L1721 D1722T1696-Y1698 HydrophobicContact CG2-CD2 4.22Å; T1696-Y1698 HydrophobicContact CG2-CE2 3.59Å; Y1698-D1702 HydrophobicContact CD1-CB 3.85Å; Y1698-D1702 HydrophobicContact CG-CB 4.47Å; Y1698-V1705 HydrophobicContact CE1-CG1 4.19Å; Y1698-A1706 HydrophobicContact CD2-CB 4.35Å; Y1698-A1706 HydrophobicContact CG-CB 4.49Å; Y1698-L1709 HydrophobicContact CE2-CD2 3.66Å; Y1698-V1719 HydrophobicContact CD2-CG1 3.87Å; Y1698-V1719 HydrophobicContact CE2-CG1 4.32Å; Y1698-V1720 PolarHBondContact N-O 2.71Å; Y1698-L1721 CarbonylContact O-C 3.59Å; Y1698-L1721 VanDerWaalsContact O-CA 3.27Å; Y1698-L1721 WeakPolarHBondContact O-CA 3.33Å; Y1698-D1722 PolarHBondContact O-N 2.84Å
1699P93.3Very high86.7Confident48 Ų4853 Ų5331%0.31228%0.28SS..EExtended strand (participates in β ladder)trans-58.8147.9163.1-19.832.7000110.3H1701 D1702P1699-H1701 WeakPolarHBondContact CB-CE1 3.4Å; P1699-H1701 WeakPolarHBondContact CB-NE2 3.35Å; P1699-H1701 PolarHBondContact O-N 3Å; P1699-D1702 PolarHBondContact O-N 2.94Å
1700I92.9Very high86.8Confident4 Ų450 Ų502%0.02126%0.262CS..G310 helixtrans-56-22176.2-169.9171.1000113.9L1403 F1416 W1493 D1702 A1703 L1721 D1722 V1723 P1724L1403-I1700 HydrophobicContact CD2-CG1 4.13Å; F1416-I1700 HydrophobicContact CE1-CD1 4.17Å; F1416-I1700 HydrophobicContact CE1-CG1 3.97Å; F1416-I1700 HydrophobicContact CE1-CG2 4.19Å; F1416-I1700 HydrophobicContact CZ-CG1 4.2Å; F1416-I1700 HydrophobicContact CZ-CG2 4.01Å; W1493-I1700 HydrophobicContact CB-CD1 4.02Å; I1700-D1702 VanDerWaalsContact C-N 3.3Å; I1700-D1702 PolarHBondContact O-N 2.71Å; I1700-A1703 VanDerWaalsContact O-CB 3.24Å; I1700-A1703 WeakPolarHBondContact O-CB 3.39Å; I1700-A1703 PolarHBondContact O-N 3.19Å; I1700-L1721 HydrophobicContact CB-CB 4.41Å; I1700-L1721 HydrophobicContact CG1-CD1 4.32Å; I1700-D1722 PolarHBondContact N-O 3.08Å; I1700-V1723 HydrophobicContact CD1-CG2 4.27Å; I1700-P1724 HydrophobicContact CG2-CG 4.39Å
1701H89.1Confident86.5Confident129 Ų12951.6 Ų51.660%0.59728%0.279SS*.G310 helixtrans-69.7-24.1173.754-110.2000114F1416 P1699 A1703F1416-H1701 HydrophobicContact CE2-CB 3.99Å; F1416-H1701 HydrophobicContact CZ-CB 4.22Å; P1699-H1701 WeakPolarHBondContact CB-CE1 3.4Å; P1699-H1701 WeakPolarHBondContact CB-NE2 3.35Å; P1699-H1701 PolarHBondContact O-N 3Å; H1701-A1703 VanDerWaalsContact C-N 3.27Å; H1701-A1703 PolarHBondContact O-N 3.17Å
1702D92.2Very high86.4Confident59 Ų5951.3 Ų51.332%0.31629%0.289SS..G310 helixtrans-89.614.7175.1-68-30.6000112.5Y1698 P1699 I1700 A1704 V1705 A1706Y1698-D1702 HydrophobicContact CD1-CB 3.85Å; Y1698-D1702 HydrophobicContact CG-CB 4.47Å; P1699-D1702 PolarHBondContact O-N 2.94Å; I1700-D1702 VanDerWaalsContact C-N 3.3Å; I1700-D1702 PolarHBondContact O-N 2.71Å; D1702-A1704 PolarHBondContact O-N 3.45Å; D1702-A1704 VanDerWaalsContact O-N 3.14Å; D1702-V1705 HydrophobicContact CB-CB 4.46Å; D1702-V1705 HydrophobicContact CB-CG2 4.49Å; D1702-V1705 WeakPolarHBondContact O-CA 3.49Å; D1702-V1705 VanDerWaalsContact O-CB 3.29Å; D1702-V1705 WeakPolarHBondContact O-CB 3.47Å; D1702-V1705 PolarHBondContact O-N 2.97Å; D1702-A1706 PolarHBondContact O-N 3.36Å
1703A91.9Very high85.9Confident1 Ų149.8 Ų49.81%0.00829%0.285CS..Hα-helixtrans-55.4-34.2-177.900000113.7L1403 I1700 H1701 V1705 A1706 I1707 L1721L1403-A1703 HydrophobicContact CD2-CB 3.27Å; I1700-A1703 VanDerWaalsContact O-CB 3.24Å; I1700-A1703 WeakPolarHBondContact O-CB 3.39Å; I1700-A1703 PolarHBondContact O-N 3.19Å; H1701-A1703 VanDerWaalsContact C-N 3.27Å; H1701-A1703 PolarHBondContact O-N 3.17Å; A1703-V1705 VanDerWaalsContact C-N 3.26Å; A1703-V1705 PolarHBondContact O-N 2.89Å; A1703-A1706 PolarHBondContact O-N 2.67Å; A1703-I1707 WeakPolarHBondContact O-CB 3.43Å; A1703-I1707 WeakPolarHBondContact O-CD1 3.38Å; A1703-I1707 VanDerWaalsContact O-CG1 3.22Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.34Å; A1703-I1707 PolarHBondContact O-N 3.07Å; A1703-L1721 HydrophobicContact CB-CD1 3.8Å; A1703-L1721 HydrophobicContact CB-CD2 4.28Å
1704A87.8Confident85.3Confident18 Ų1851.3 Ų51.315%0.14930%0.304CS..Hα-helixtrans-67.6-23.8174.200000113.2L1414 D1702 R1708L1414-A1704 HydrophobicContact CG-CB 4.46Å; D1702-A1704 PolarHBondContact O-N 3.45Å; D1702-A1704 VanDerWaalsContact O-N 3.14Å; A1704-R1708 WeakPolarHBondContact O-CG 3.46Å; A1704-R1708 PolarHBondContact O-NE 3.44Å
1705V88.4Confident84.9Confident68 Ų6846 Ų4641%0.41228%0.28SS..Hα-helixtrans-77.8-44.2169.2-175.60000109.6Y1698 D1702 A1703 I1707 R1708 L1709Y1698-V1705 HydrophobicContact CE1-CG1 4.19Å; D1702-V1705 HydrophobicContact CB-CB 4.46Å; D1702-V1705 HydrophobicContact CB-CG2 4.49Å; D1702-V1705 WeakPolarHBondContact O-CA 3.49Å; D1702-V1705 VanDerWaalsContact O-CB 3.29Å; D1702-V1705 WeakPolarHBondContact O-CB 3.47Å; D1702-V1705 PolarHBondContact O-N 2.97Å; A1703-V1705 VanDerWaalsContact C-N 3.26Å; A1703-V1705 PolarHBondContact O-N 2.89Å; V1705-I1707 PolarHBondContact O-N 3.36Å; V1705-R1708 PolarHBondContact O-N 3.39Å; V1705-L1709 WeakPolarHBondContact O-CB 3.47Å; V1705-L1709 PolarHBondContact O-N 2.91Å
1706A88.2Confident84.1Confident0 Ų046.9 Ų46.90%029%0.285CS..Hα-helixtrans-61.1-43.1177.900000113V1438 Y1698 D1702 A1703 R1708 L1709 V1710 V1719 L1721V1438-A1706 HydrophobicContact CG2-CB 4.07Å; Y1698-A1706 HydrophobicContact CD2-CB 4.35Å; Y1698-A1706 HydrophobicContact CG-CB 4.49Å; D1702-A1706 PolarHBondContact O-N 3.36Å; A1703-A1706 PolarHBondContact O-N 2.67Å; A1706-R1708 PolarHBondContact O-N 2.91Å; A1706-L1709 PolarHBondContact O-N 3.23Å; A1706-V1710 WeakPolarHBondContact O-CG2 3.17Å; A1706-V1710 PolarHBondContact O-N 2.89Å; A1706-V1719 HydrophobicContact CB-CG1 3.85Å; A1706-L1721 HydrophobicContact CB-CD2 3.8Å
1707I88.4Confident83.5Confident0 Ų044.7 Ų44.70%027%0.273CS..Hα-helixtrans-58-47.6173.4-69.1161.2000110.4L1411 L1414 V1443 A1446 W1493 A1703 V1705 L1709 V1710 G1711L1411-I1707 HydrophobicContact CD1-CG2 4.11Å; L1411-I1707 HydrophobicContact CD2-CD1 4.17Å; L1411-I1707 HydrophobicContact CD2-CG2 3.99Å; L1414-I1707 HydrophobicContact CD1-CD1 4.13Å; L1414-I1707 HydrophobicContact CG-CD1 4.39Å; V1443-I1707 HydrophobicContact CG1-CG2 4.31Å; V1443-I1707 HydrophobicContact CG2-CG2 4.29Å; A1446-I1707 HydrophobicContact CB-CD1 4.15Å; A1446-I1707 HydrophobicContact CB-CG2 4.32Å; W1493-I1707 HydrophobicContact CH2-CD1 4.17Å; W1493-I1707 HydrophobicContact CH2-CG1 3.89Å; W1493-I1707 HydrophobicContact CZ3-CD1 3.9Å; W1493-I1707 HydrophobicContact CZ3-CG1 4.14Å; A1703-I1707 WeakPolarHBondContact O-CB 3.43Å; A1703-I1707 WeakPolarHBondContact O-CD1 3.38Å; A1703-I1707 VanDerWaalsContact O-CG1 3.22Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.34Å; A1703-I1707 PolarHBondContact O-N 3.07Å; V1705-I1707 PolarHBondContact O-N 3.36Å; I1707-L1709 VanDerWaalsContact C-N 3.35Å; I1707-L1709 PolarHBondContact O-N 2.77Å; I1707-V1710 PolarHBondContact O-N 2.89Å; I1707-G1711 PolarHBondContact O-N 3.01Å
1708R84.4Confident83.2Confident128 Ų12841.8 Ų41.848%0.48326%0.26SS..Hα-helixtrans-63.9-38.7178.2-77179.9-86.8-146.60.2111.9L1411 A1704 V1705 A1706 G1712L1411-R1708 HydrophobicContact CD1-CG 3.73Å; A1704-R1708 WeakPolarHBondContact O-CG 3.46Å; A1704-R1708 PolarHBondContact O-NE 3.44Å; V1705-R1708 PolarHBondContact O-N 3.39Å; A1706-R1708 PolarHBondContact O-N 2.91Å; R1708-G1712 PolarHBondContact O-N 3.34Å
1709L83.4Confident83Confident42 Ų4239.1 Ų39.122%0.2225%0.249CC..Hα-helixtrans-67.6-33.7175.5-174.869.2000113.3Y1698 V1705 A1706 I1707 A1713 G1714 H1715 V1719Y1698-L1709 HydrophobicContact CE2-CD2 3.66Å; V1705-L1709 WeakPolarHBondContact O-CB 3.47Å; V1705-L1709 PolarHBondContact O-N 2.91Å; A1706-L1709 PolarHBondContact O-N 3.23Å; I1707-L1709 VanDerWaalsContact C-N 3.35Å; I1707-L1709 PolarHBondContact O-N 2.77Å; L1709-A1713 PolarHBondContact O-N 2.72Å; L1709-G1714 PolarHBondContact O-N 3.23Å; L1709-H1715 HydrophobicContact CD2-CB 4.14Å; L1709-H1715 HydrophobicContact CG-CB 4.09Å; L1709-H1715 PolarHBondContact O-ND1 3.03Å; L1709-H1715 VanDerWaalsContact O-ND1 3.16Å; L1709-V1719 HydrophobicContact CD2-CG2 4.13Å
1710V82.8Confident83Confident8 Ų836.9 Ų36.95%0.04823%0.234CC..Hα-helixtrans-77.4-46.3175.3176.10000111.2V1438 V1443 A1706 I1707 G1712 A1713 V1719V1438-V1710 HydrophobicContact CB-CG2 4.02Å; V1438-V1710 HydrophobicContact CG1-CB 4.11Å; V1438-V1710 HydrophobicContact CG1-CG1 4.43Å; V1438-V1710 HydrophobicContact CG1-CG2 3.71Å; V1443-V1710 HydrophobicContact CG2-CB 3.87Å; V1443-V1710 HydrophobicContact CG2-CG1 3.66Å; A1706-V1710 WeakPolarHBondContact O-CG2 3.17Å; A1706-V1710 PolarHBondContact O-N 2.89Å; I1707-V1710 PolarHBondContact O-N 2.89Å; V1710-G1712 PolarHBondContact O-N 3.08Å; V1710-A1713 PolarHBondContact O-N 3.5Å; V1710-V1719 HydrophobicContact CG2-CB 3.91Å; V1710-V1719 HydrophobicContact CG2-CG2 3.69Å
1711G78.3Confident83.1Confident36 Ų3636.7 Ų36.737%0.37123%0.233SC..Hα-helixtrans-62.7-41.2177.900000113.5I1707 A1713I1707-G1711 PolarHBondContact O-N 3.01Å; G1711-A1713 PolarHBondContact O-N 3.36Å
1712G74.2Confident83.3Confident63 Ų6333.3 Ų33.365%0.64922%0.22SC*.THydrogen-bonded Turntrans-76.41.3173.100000114.9R1708 V1710 G1714R1708-G1712 PolarHBondContact O-N 3.34Å; V1710-G1712 PolarHBondContact O-N 3.08Å; G1712-G1714 PolarHBondContact O-N 2.7Å
1713A68.4Low83.4Confident49 Ų4930.9 Ų30.941%0.40521%0.207SC..THydrogen-bonded Turntrans48.740.4-174.100000113.7R1575 L1709 V1710 G1711R1575-A1713 PolarHBondContact NH2-O 2.73Å; L1709-A1713 PolarHBondContact O-N 2.72Å; V1710-A1713 PolarHBondContact O-N 3.5Å; G1711-A1713 PolarHBondContact O-N 3.36Å
1714G68.5Low83.3Confident57 Ų5732.7 Ų32.759%0.58822%0.219SC*.  trans-86.80.1-17700000115.3L1709 G1712L1709-G1714 PolarHBondContact O-N 3.23Å; G1712-G1714 PolarHBondContact O-N 2.7Å
1715H72.9Confident83.3Confident28 Ų2836.1 Ų36.113%0.1323%0.228CC..  trans-106.3152.6-175.360.7-81000113.2R1575 L1709 V1719R1575-H1715 PolarHBondContact NH2-O 2.73Å; L1709-H1715 HydrophobicContact CD2-CB 4.14Å; L1709-H1715 HydrophobicContact CG-CB 4.09Å; L1709-H1715 PolarHBondContact O-ND1 3.03Å; L1709-H1715 VanDerWaalsContact O-ND1 3.16Å; H1715-V1719 HydrophobicContact CB-CG2 3.74Å
1716T68.5Low83.2Confident65 Ų6537.9 Ų37.940%0.39924%0.239SC..SBendtrans-103.7136.7164.8-57.90000108.7L1578L1578-T1716 HydrophobicContact CD2-CG2 4.2Å
1717G75.3Confident83.2Confident7 Ų740 Ų407%0.07226%0.261CS..SBendtrans76.4-122.7-178.200000113.2Q1694Q1694-G1717 CarbonylContact O-C 3.21Å; Q1694-G1717 WeakPolarHBondContact O-CA 3.3Å
1718K85.3Confident83.2Confident11 Ų1146.2 Ų46.25%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-128.9142.7-173.7-94.9-79.6-171.4166.80111.4S1437 N1439 D1463 A1518 P1693 Q1694 T1695 T1696S1437-K1718 PolarHBondContact OG-NZ 2.91Å; N1439-K1718 PolarHBondContact OD1-NZ 3.2Å; D1463-K1718 IonicContact OD2-NZ 3.08Å; A1518-K1718 HydrophobicContact CB-CB 3.9Å; A1518-K1718 HydrophobicContact CB-CG 4.15Å; A1518-K1718 WeakPolarHBondContact O-CE 3.44Å; P1693-K1718 HydrophobicContact CB-CB 4.34Å; P1693-K1718 HydrophobicContact CB-CG 4.29Å; Q1694-K1718 PolarHBondContact O-N 3.02Å; T1695-K1718 CarbonylContact C-O 3.54Å; T1695-K1718 WeakPolarHBondContact CA-O 3.21Å; T1696-K1718 PolarHBondContact N-O 3.1Å
1719V88.8Confident83.2Confident1 Ų140.9 Ų40.91%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-98132.3171.6-175.50000109.2V1438 T1696 Y1698 A1706 L1709 V1710 H1715V1438-V1719 HydrophobicContact CB-CB 4.29Å; V1438-V1719 HydrophobicContact CB-CG1 4.42Å; V1438-V1719 HydrophobicContact CG2-CG1 4.15Å; V1438-V1719 PolarHBondContact N-O 3.2Å; T1696-V1719 WeakPolarHBondContact O-CA 3.36Å; Y1698-V1719 HydrophobicContact CD2-CG1 3.87Å; Y1698-V1719 HydrophobicContact CE2-CG1 4.32Å; A1706-V1719 HydrophobicContact CB-CG1 3.85Å; L1709-V1719 HydrophobicContact CD2-CG2 4.13Å; V1710-V1719 HydrophobicContact CG2-CB 3.91Å; V1710-V1719 HydrophobicContact CG2-CG2 3.69Å; H1715-V1719 HydrophobicContact CB-CG2 3.74Å
1720V92.7Very high83.5Confident0 Ų043.6 Ų43.60%029%0.293CS..EExtended strand (participates in β ladder)trans-125.3133.9-176.7179.10000109.6A1435 A1517 A1518 T1695 T1696 Y1698A1435-V1720 HydrophobicContact CB-CG1 3.82Å; A1517-V1720 HydrophobicContact CB-CG1 4.48Å; A1518-V1720 HydrophobicContact CB-CG2 3.95Å; T1695-V1720 HydrophobicContact CG2-CG2 3.69Å; T1696-V1720 PolarHBondContact O-N 2.69Å; Y1698-V1720 PolarHBondContact N-O 2.71Å
1721L94.9Very high83.8Confident0 Ų043.3 Ų43.30%029%0.291CS..EExtended strand (participates in β ladder)trans-95.1117.1170.1-59.1-175.5000109.7A1435 S1436 V1438 W1493 Y1698 I1700 A1703 A1706A1435-L1721 WeakPolarHBondContact CA-O 3.42Å; S1436-L1721 PolarHBondContact N-O 3.09Å; S1436-L1721 PolarHBondContact O-N 2.8Å; V1438-L1721 HydrophobicContact CG2-CD1 4Å; V1438-L1721 HydrophobicContact CG2-CD2 3.99Å; V1438-L1721 HydrophobicContact CG2-CG 3.67Å; W1493-L1721 HydrophobicContact CD2-CD1 3.61Å; W1493-L1721 HydrophobicContact CE3-CD1 4.11Å; W1493-L1721 HydrophobicContact CG-CD1 3.9Å; W1493-L1721 HydrophobicContact CZ2-CD1 4.11Å; Y1698-L1721 CarbonylContact O-C 3.59Å; Y1698-L1721 VanDerWaalsContact O-CA 3.27Å; Y1698-L1721 WeakPolarHBondContact O-CA 3.33Å; I1700-L1721 HydrophobicContact CB-CB 4.41Å; I1700-L1721 HydrophobicContact CG1-CD1 4.32Å; A1703-L1721 HydrophobicContact CB-CD1 3.8Å; A1703-L1721 HydrophobicContact CB-CD2 4.28Å; A1706-L1721 HydrophobicContact CB-CD2 3.8Å
1722D94.7Very high84.4Confident59 Ų5942.5 Ų42.532%0.31628%0.279SS..EExtended strand (participates in β ladder)trans-79.9124.5172.4-65.2-36.1000109.7H1697 Y1698 I1700H1697-D1722 WeakPolarHBondContact CB-OD2 3.25Å; H1697-D1722 IonicContact CE1-OD1 3.17Å; H1697-D1722 IonicContact CG-OD1 2.74Å; H1697-D1722 IonicContact CG-OD2 3.21Å; H1697-D1722 IonicContact ND1-OD1 2.72Å; H1697-D1722 PolarHBondContact ND1-OD1 2.81Å; H1697-D1722 IonicContact ND1-OD2 2.77Å; H1697-D1722 PolarHBondContact ND1-OD2 3.06Å; Y1698-D1722 PolarHBondContact O-N 2.84Å; I1700-D1722 PolarHBondContact N-O 3.08Å
1723V94.2Very high85.1Confident8 Ų840.8 Ų40.85%0.04826%0.256CS..PPolyproline II helixtrans-98.5123.8-176.1-176.60000109.5V1433 T1434 T1495 I1700 R1725V1433-V1723 HydrophobicContact CB-CG1 4.45Å; V1433-V1723 HydrophobicContact CB-CG2 4.3Å; V1433-V1723 HydrophobicContact CG1-CB 4.39Å; V1433-V1723 HydrophobicContact CG1-CG2 3.8Å; T1434-V1723 PolarHBondContact O-N 2.76Å; T1495-V1723 HydrophobicContact CG2-CG1 4.45Å; I1700-V1723 HydrophobicContact CD1-CG2 4.27Å; V1723-R1725 PolarHBondContact O-N 2.89Å
1724P89.8Confident86Confident38 Ų3838.7 Ų38.725%0.24724%0.238CC..PPolyproline II helixtrans-68.1128.1-176.428.1-34.8000111Y1396 M1401 I1700Y1396-P1724 WeakPolarHBondContact CB-O 3.2Å; Y1396-P1724 HydrophobicContact CD1-CG 4.03Å; Y1396-P1724 HydrophobicContact CD2-CB 3.72Å; Y1396-P1724 HydrophobicContact CD2-CG 3.94Å; Y1396-P1724 HydrophobicContact CE1-CG 3.97Å; Y1396-P1724 HydrophobicContact CE2-CB 3.83Å; Y1396-P1724 HydrophobicContact CE2-CG 3.89Å; Y1396-P1724 HydrophobicContact CG-CB 4.16Å; Y1396-P1724 HydrophobicContact CG-CG 4.01Å; M1401-P1724 HydrophobicContact CE-CG 4.48Å; I1700-P1724 HydrophobicContact CG2-CG 4.39Å
1725R86.5Confident86.7Confident91 Ų9137.1 Ų37.134%0.34322%0.217SC..  trans-100-10.2-177.7-70.4-87.7-66.1-151.9-4113.9A1432 V1433 T1434 V1723A1432-R1725 VanDerWaalsContact CB-NH1 3.3Å; A1432-R1725 PolarHBondContact O-NH1 3.43Å; V1433-R1725 VanDerWaalsContact O-CD 3.32Å; V1433-R1725 WeakPolarHBondContact O-CD 3.37Å; T1434-R1725 HydrophobicContact CG2-CG 4.43Å; T1434-R1725 PolarHBondContact OG1-NH1 3Å; V1723-R1725 PolarHBondContact O-N 2.89Å
1726T86.5Confident87Confident104 Ų10442.3 Ų42.364%0.63824%0.242SC*.SBendtrans-152.7147.6-172.549.70000110.4
1727G88.9Confident87.7Confident46 Ų4642.1 Ų42.147%0.47424%0.237SC..SBendtrans98.1-170.9-172.800000111.8Y1396Y1396-G1727 VanDerWaalsContact CD2-C 3.41Å; Y1396-G1727 WeakPolarHBondContact CD2-O 3.46Å; Y1396-G1727 PolarHBondContact N-O 2.84Å
1728E88.7Confident88.2Confident130 Ų13042.3 Ų42.361%0.60724%0.236SC*.EExtended strand (participates in β ladder)trans-127.2158.4-175.7-66.7176.4176.100110.9V1393 V1394 E1395 Y1396V1393-E1728 HydrophobicContact CG1-CB 3.86Å; V1393-E1728 HydrophobicContact CG1-CG 4.15Å; V1394-E1728 CarbonylContact O-C 3.59Å; V1394-E1728 VanDerWaalsContact O-CA 3.25Å; V1394-E1728 WeakPolarHBondContact O-CA 3.37Å; E1395-E1728 HydrophobicContact CB-CG 4.4Å; E1395-E1728 HydrophobicContact CG-CG 4.48Å; Y1396-E1728 VanDerWaalsContact CE2-C 3.44Å; Y1396-E1728 VanDerWaalsContact CE2-O 3.3Å; Y1396-E1728 WeakPolarHBondContact CE2-O 3.4Å; Y1396-E1728 PolarHBondContact OH-O 3.16Å
1729G84.2Confident88Confident15 Ų1548.9 Ų48.916%0.15526%0.261CS..EExtended strand (participates in β ladder)trans-148.6162.917400000112V1393 V1394 Y1396V1393-G1729 CarbonylContact C-O 3.58Å; V1393-G1729 WeakPolarHBondContact CA-O 3.49Å; V1394-G1729 PolarHBondContact N-O 2.9Å; V1394-G1729 PolarHBondContact O-N 2.93Å; Y1396-G1729 WeakPolarHBondContact OH-CA 3.46Å
1730V88.6Confident87.8Confident100 Ų10049.2 Ų49.261%0.60626%0.263SS*.EExtended strand (participates in β ladder)trans-98.5121.8174.7-177.80000108.7T1391 A1392T1391-V1730 HydrophobicContact CG2-CG1 3.92Å; A1392-V1730 WeakPolarHBondContact O-CA 3.46Å
1731A89.4Confident87.5Confident2 Ų250.5 Ų50.52%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-120.5152.1174.200000110.6T1391 A1392 V1394 M1401 F1416 T1418T1391-A1731 CarbonylContact C-O 3.5Å; T1391-A1731 WeakPolarHBondContact CA-O 3.41Å; T1391-A1731 WeakPolarHBondContact CB-O 3.48Å; A1392-A1731 PolarHBondContact N-O 3.24Å; A1392-A1731 PolarHBondContact O-N 3.28Å; V1394-A1731 HydrophobicContact CG2-CB 3.71Å; M1401-A1731 HydrophobicContact CG-CB 4.27Å; F1416-A1731 HydrophobicContact CB-CB 4.15Å; T1418-A1731 HydrophobicContact CG2-CB 4.12Å
1732V91.6Very high87.2Confident19 Ų1954 Ų5412%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-73.8136.1174174.90000109.6R1389 T1391 F1416 V1417 T1418 P1734R1389-V1732 HydrophobicContact CB-CG1 3.92Å; T1391-V1732 HydrophobicContact CG2-CG2 4.15Å; F1416-V1732 PolarHBondContact O-N 2.86Å; V1417-V1732 CarbonylContact C-O 3.47Å; V1417-V1732 WeakPolarHBondContact CA-O 3.44Å; V1417-V1732 HydrophobicContact CG1-CB 4.28Å; T1418-V1732 PolarHBondContact N-O 3.45Å; V1732-P1734 WeakPolarHBondContact O-CD 3.26Å
1733V89.8Confident86.8Confident26 Ų2656.2 Ų56.216%0.15830%0.303CS..PPolyproline II helixtrans-86.7116.6166.8-1760000107.2R1390 A1392 T1418 Q1737 V1738R1390-V1733 PolarHBondContact O-N 3.38Å; A1392-V1733 HydrophobicContact CB-CG2 3.8Å; T1418-V1733 HydrophobicContact CG2-CG2 4.15Å; V1733-Q1737 HydrophobicContact CG1-CB 3.98Å; V1733-V1738 HydrophobicContact CB-CG2 4.25Å; V1733-V1738 HydrophobicContact CG1-CG2 3.74Å
1734P86Confident86.7Confident5 Ų559.1 Ų59.13%0.03232%0.318CS..PPolyproline II helixtrans-54.6134.3176.7-26.836.2000110.9V1417 V1732 E1736 Q1737 V1738V1417-P1734 HydrophobicContact CB-CG 3.96Å; V1417-P1734 HydrophobicContact CG1-CG 4.11Å; V1732-P1734 WeakPolarHBondContact O-CD 3.26Å; P1734-E1736 VanDerWaalsContact CB-CD 3.49Å; P1734-E1736 HydrophobicContact CB-CG 4.29Å; P1734-E1736 VanDerWaalsContact CB-OE1 3.23Å; P1734-E1736 WeakPolarHBondContact CB-OE1 3.15Å; P1734-E1736 PolarHBondContact O-N 3.23Å; P1734-Q1737 HydrophobicContact CB-CG 4.24Å; P1734-Q1737 HydrophobicContact CG-CG 4.4Å; P1734-Q1737 WeakPolarHBondContact O-CA 3.4Å; P1734-Q1737 WeakPolarHBondContact O-CB 3.48Å; P1734-Q1737 PolarHBondContact O-N 3.43Å; P1734-V1738 PolarHBondContact O-N 3.21Å
1735P83.8Confident86.9Confident24 Ų2457.3 Ų57.316%0.15631%0.306CS..G310 helixtrans-52.2-36.7-172.3-29.235.6000114.1R1389 Q1737 V1738 R1952 Y1953R1389-P1735 HydrophobicContact CG-CG 4.14Å; P1735-Q1737 VanDerWaalsContact C-N 3.33Å; P1735-Q1737 PolarHBondContact O-N 2.97Å; P1735-V1738 WeakPolarHBondContact O-CB 3.45Å; P1735-V1738 PolarHBondContact O-N 3.3Å; P1735-V1738 VanDerWaalsContact O-N 3.15Å; P1735-R1952 HydrophobicContact CB-CB 4.42Å; P1735-R1952 VanDerWaalsContact O-CD 3.28Å; P1735-R1952 WeakPolarHBondContact O-CD 3.5Å; P1735-R1952 WeakPolarHBondContact O-CG 3.42Å; P1735-R1952 PolarHBondContact O-NH1 2.84Å; P1735-Y1953 HydrophobicContact CB-CE2 3.75Å; P1735-Y1953 HydrophobicContact CG-CE2 3.72Å
1736E79.9Confident87.3Confident138 Ų13853 Ų5365%0.64529%0.29SS*.G310 helixtrans-61.3-34.1175.560.8-83.5-165.500113.5P1734 V1738 R1952P1734-E1736 VanDerWaalsContact CB-CD 3.49Å; P1734-E1736 HydrophobicContact CB-CG 4.29Å; P1734-E1736 VanDerWaalsContact CB-OE1 3.23Å; P1734-E1736 WeakPolarHBondContact CB-OE1 3.15Å; P1734-E1736 PolarHBondContact O-N 3.23Å; E1736-V1738 VanDerWaalsContact C-N 3.35Å; E1736-R1952 VanDerWaalsContact C-NH1 3.31Å; E1736-R1952 VanDerWaalsContact CA-NH1 3.34Å; E1736-R1952 PolarHBondContact O-NH1 2.94Å
1737Q82.7Confident87.8Confident61 Ų6148 Ų4829%0.28526%0.26SS..G310 helixtrans-75.4-20.4174.8-63.9-179.61700112.8T1418 V1733 P1734 P1735 R1739T1418-Q1737 PolarHBondContact O-NE2 2.97Å; T1418-Q1737 PolarHBondContact O-OE1 2.99Å; T1418-Q1737 PolarHBondContact OG1-OE1 2.89Å; T1418-Q1737 VanDerWaalsContact OG1-OE1 3.08Å; V1733-Q1737 HydrophobicContact CG1-CB 3.98Å; P1734-Q1737 HydrophobicContact CB-CG 4.24Å; P1734-Q1737 HydrophobicContact CG-CG 4.4Å; P1734-Q1737 WeakPolarHBondContact O-CA 3.4Å; P1734-Q1737 WeakPolarHBondContact O-CB 3.48Å; P1734-Q1737 PolarHBondContact O-N 3.43Å; P1735-Q1737 VanDerWaalsContact C-N 3.33Å; P1735-Q1737 PolarHBondContact O-N 2.97Å; Q1737-R1739 PolarHBondContact O-N 3.16Å
1738V84.6Confident88.3Confident10 Ų1045.9 Ų45.96%0.06124%0.237CC..SBendtrans-69.3103.1178.9-178.90000110.3R1390 V1733 P1734 P1735 E1736 T1740 R1952R1390-V1738 HydrophobicContact CB-CG2 4.36Å; R1390-V1738 HydrophobicContact CG-CG2 4.45Å; V1733-V1738 HydrophobicContact CB-CG2 4.25Å; V1733-V1738 HydrophobicContact CG1-CG2 3.74Å; P1734-V1738 PolarHBondContact O-N 3.21Å; P1735-V1738 WeakPolarHBondContact O-CB 3.45Å; P1735-V1738 PolarHBondContact O-N 3.3Å; P1735-V1738 VanDerWaalsContact O-N 3.15Å; E1736-V1738 VanDerWaalsContact C-N 3.35Å; V1738-T1740 PolarHBondContact O-N 3.07Å; V1738-R1952 HydrophobicContact CB-CB 4.12Å; V1738-R1952 HydrophobicContact CB-CG 4.16Å; V1738-R1952 HydrophobicContact CG1-CB 4.3Å; V1738-R1952 HydrophobicContact CG1-CG 4.4Å; V1738-R1952 PolarHBondContact O-NH1 3.3Å
1739R82.1Confident88.7Confident149 Ų14939.8 Ų39.856%0.56221%0.209SC*.  trans-71.6118.8178.5-55.3-173.9-168.7-168.93.3110.3D1420 Q1737D1420-R1739 IonicContact OD2-NH2 3.5Å; Q1737-R1739 PolarHBondContact O-N 3.16Å
1740T84.7Confident89.3Confident8 Ų839 Ų395%0.04920%0.201CC..  trans-99.3-27173.552.50000112V1738 Y1747 W1873 L1951 R1952V1738-T1740 PolarHBondContact O-N 3.07Å; T1740-Y1747 PolarHBondContact O-OH 2.93Å; T1740-W1873 PolarHBondContact O-NE1 3.43Å; T1740-L1951 HydrophobicContact CG2-CB 3.69Å; T1740-R1952 HydrophobicContact CG2-CG 3.84Å
1741S85.9Confident89.5Confident28 Ų2835.1 Ų35.120%0.19618%0.181CC..  trans-115.4146.9175.654.10000111.2Y1747 A1767 C1769S1741-Y1747 WeakPolarHBondContact CA-OH 3.49Å; S1741-A1767 WeakPolarHBondContact CB-O 3.2Å; S1741-A1767 PolarHBondContact OG-O 3.1Å; S1741-C1769 WeakPolarHBondContact CB-SG 3.24Å
1742R88Confident89.6Confident73 Ų7335 Ų3528%0.27518%0.18SC..  trans-150.2148171.4-51-178.3-176.4-120.40.2112.1D1744 G1745 Y1747 G1768 C1769 G1770 E1872R1742-D1744 VanDerWaalsContact C-N 3.29Å; R1742-D1744 WeakPolarHBondContact CB-OD1 3.43Å; R1742-D1744 VanDerWaalsContact CD-OD1 3.26Å; R1742-D1744 WeakPolarHBondContact CD-OD1 3.26Å; R1742-D1744 PolarHBondContact O-N 3.42Å; R1742-G1745 PolarHBondContact O-N 3.03Å; R1742-Y1747 PolarHBondContact N-OH 2.92Å; R1742-G1768 CarbonylContact C-O 3.5Å; R1742-C1769 WeakPolarHBondContact O-CA 3.35Å; R1742-G1770 PolarHBondContact O-N 2.85Å; R1742-E1872 IonicContact CZ-OE1 3.67Å; R1742-E1872 IonicContact CZ-OE2 3.26Å; R1742-E1872 IonicContact NE-OE1 3.73Å; R1742-E1872 PolarHBondContact NE-OE1 3.49Å; R1742-E1872 IonicContact NE-OE2 2.75Å; R1742-E1872 PolarHBondContact NE-OE2 3.38Å; R1742-E1872 IonicContact NH2-OE1 3.15Å; R1742-E1872 PolarHBondContact NH2-OE1 3.45Å
1743P87.7Confident89.5Confident106 Ų10635.2 Ų35.269%0.68818%0.18SC*.THydrogen-bonded Turntrans-72.4-18.317429.6-35.4000113.6G1745 G1768 G1770P1743-G1745 VanDerWaalsContact C-N 3.29Å; P1743-G1768 WeakPolarHBondContact CA-O 3.26Å; P1743-G1768 VanDerWaalsContact N-O 3.16Å; P1743-G1770 WeakPolarHBondContact O-CA 3.46Å
1744D90.9Very high89.3Confident69 Ų6935.7 Ų35.737%0.36919%0.191SC..THydrogen-bonded Turntrans-86.78.9174.172.5-62.8000113.9R1742 R1826R1742-D1744 VanDerWaalsContact C-N 3.29Å; R1742-D1744 WeakPolarHBondContact CB-OD1 3.43Å; R1742-D1744 VanDerWaalsContact CD-OD1 3.26Å; R1742-D1744 WeakPolarHBondContact CD-OD1 3.26Å; R1742-D1744 PolarHBondContact O-N 3.42Å; D1744-R1826 IonicContact OD2-NH2 3.17Å
1745G93.6Very high89.2Confident0 Ų037.3 Ų37.30%021%0.208CC..  trans-116.2145.7-176.800000114.8R1742 P1743 Y1747 G1770 R1771R1742-G1745 PolarHBondContact O-N 3.03Å; P1743-G1745 VanDerWaalsContact C-N 3.29Å; G1745-Y1747 WeakPolarHBondContact O-CD2 3.38Å; G1745-Y1747 WeakPolarHBondContact O-CE2 3.49Å; G1745-G1770 WeakPolarHBondContact O-CA 3.45Å; G1745-G1770 PolarHBondContact O-N 2.87Å; G1745-R1771 PolarHBondContact O-N 2.7Å; G1745-R1771 VanDerWaalsContact O-N 3.07Å
1746A96.3Very high89.3Confident0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-99146.4163.800000111.4R1771 A1818 L1823 P1824 V1825 R1826A1746-R1771 CarbonylContact C-O 3.54Å; A1746-R1771 WeakPolarHBondContact CA-O 3.28Å; A1746-R1771 HydrophobicContact CB-CB 4.22Å; A1746-A1818 HydrophobicContact CB-CB 4.05Å; A1746-L1823 HydrophobicContact CB-CB 4.06Å; A1746-P1824 PolarHBondContact N-O 3.49Å; A1746-V1825 CarbonylContact O-C 3.6Å; A1746-V1825 VanDerWaalsContact O-CA 3.31Å; A1746-V1825 WeakPolarHBondContact O-CA 3.27Å; A1746-R1826 PolarHBondContact O-N 3.39Å
1747Y97.5Very high89.8Confident0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-133.7135.7-172-65.6-95.2000110.7T1740 S1741 R1742 G1745 C1769 R1771 I1772 V1773 R1826 G1827 W1873T1740-Y1747 PolarHBondContact O-OH 2.93Å; S1741-Y1747 WeakPolarHBondContact CA-OH 3.49Å; R1742-Y1747 PolarHBondContact N-OH 2.92Å; G1745-Y1747 WeakPolarHBondContact O-CD2 3.38Å; G1745-Y1747 WeakPolarHBondContact O-CE2 3.49Å; Y1747-C1769 HydrophobicContact CD2-CB 3.51Å; Y1747-C1769 HydrophobicContact CE2-CB 3.62Å; Y1747-C1769 WeakPolarHBondContact CE2-SG 3.42Å; Y1747-C1769 HydrophobicContact CG-CB 4.18Å; Y1747-R1771 PolarHBondContact N-O 3.06Å; Y1747-I1772 CarbonylContact O-C 3.47Å; Y1747-I1772 WeakPolarHBondContact O-CA 3.48Å; Y1747-V1773 PolarHBondContact O-N 2.89Å; Y1747-R1826 HydrophobicContact CE1-CB 4.07Å; Y1747-R1826 HydrophobicContact CE2-CB 4.38Å; Y1747-G1827 WeakPolarHBondContact CA-O 3.24Å; Y1747-W1873 HydrophobicContact CD1-CH2 4.19Å; Y1747-W1873 AromaticContact CD1-CZ2 3.52Å; Y1747-W1873 HydrophobicContact CD1-CZ2 3.52Å; Y1747-W1873 AromaticContact CE1-CE2 3.97Å; Y1747-W1873 AromaticContact CE1-CZ2 3.7Å; Y1747-W1873 HydrophobicContact CE1-CZ2 3.7Å; Y1747-W1873 AromaticContact CE1-NE1 3.85Å
1748L97.9Very high90.3Very high1 Ų128.9 Ų28.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-106137.7-178.3-51-174.8000110.9V1773 V1814 V1815 A1818 V1825 G1827 V1828 L1829 T1866L1748-V1773 HydrophobicContact CD2-CB 4.08Å; L1748-V1773 HydrophobicContact CD2-CG2 4.35Å; L1748-V1814 HydrophobicContact CD1-CG1 4.14Å; L1748-V1814 HydrophobicContact CD2-CG1 3.85Å; L1748-V1814 HydrophobicContact CG-CG1 4.4Å; L1748-V1815 HydrophobicContact CD1-CG2 3.97Å; L1748-A1818 HydrophobicContact CD2-CB 3.47Å; L1748-A1818 VanDerWaalsContact CD2-CB 3.47Å; L1748-V1825 HydrophobicContact CD1-CG1 4.15Å; L1748-V1825 HydrophobicContact CD2-CG1 4.39Å; L1748-V1825 HydrophobicContact CG-CG1 3.83Å; L1748-G1827 PolarHBondContact N-O 2.87Å; L1748-V1828 HydrophobicContact CB-CG2 4.44Å; L1748-V1828 HydrophobicContact CD1-CG2 4.17Å; L1748-V1828 HydrophobicContact CG-CG2 4.41Å; L1748-L1829 PolarHBondContact O-N 2.88Å; L1748-T1866 HydrophobicContact CD1-CG2 3.95Å
1749V97.6Very high90.7Very high1 Ų130.8 Ų30.81%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-130.8109.7173.1-170.40000110.5G1752 L1764 I1772 V1773 L1774 N1775 L1829V1749-G1752 PolarHBondContact O-N 3.38Å; V1749-L1764 HydrophobicContact CG2-CD1 4.28Å; V1749-I1772 HydrophobicContact CG2-CG2 4.05Å; V1749-V1773 PolarHBondContact N-O 3.44Å; V1749-L1774 HydrophobicContact CB-CD2 3.9Å; V1749-L1774 HydrophobicContact CG2-CD2 4.08Å; V1749-N1775 PolarHBondContact O-N 2.88Å; V1749-L1829 WeakPolarHBondContact CA-O 3.35Å; V1749-L1829 HydrophobicContact CG1-CB 4.37Å; V1749-L1829 HydrophobicContact CG1-CD2 3.93Å; V1749-L1829 HydrophobicContact CG1-CG 4.09Å; V1749-L1829 HydrophobicContact CG2-CB 4.33Å; V1749-L1829 HydrophobicContact CG2-CD2 4.4Å
1750T96.8Very high91.2Very high0 Ų023.7 Ų23.70%015%0.149CC..EExtended strand (participates in β ladder)trans-87.3145.117373.60000111G1752 I1805 L1829 H1830 A1831 A1832 I1862T1750-G1752 PolarHBondContact O-N 3Å; T1750-I1805 HydrophobicContact CG2-CD1 4.49Å; T1750-I1805 HydrophobicContact CG2-CG1 4.1Å; T1750-L1829 PolarHBondContact N-O 3.2Å; T1750-H1830 VanDerWaalsContact OG1-CA 3.29Å; T1750-H1830 WeakPolarHBondContact OG1-CA 3.28Å; T1750-H1830 PolarHBondContact OG1-ND1 3.34Å; T1750-A1831 CarbonylContact O-C 3.56Å; T1750-A1831 VanDerWaalsContact O-C 3.32Å; T1750-A1831 WeakPolarHBondContact O-CA 3.34Å; T1750-A1831 WeakPolarHBondContact O-CB 3.37Å; T1750-A1831 PolarHBondContact O-N 3.26Å; T1750-A1831 PolarHBondContact OG1-N 2.85Å; T1750-A1832 PolarHBondContact O-N 3.07Å; T1750-A1832 WeakPolarHBondContact OG1-CB 3.29Å; T1750-A1832 PolarHBondContact OG1-N 3.25Å; T1750-I1862 HydrophobicContact CG2-CD1 3.14Å
1751G92.3Very high91.5Very high18 Ų1823.3 Ų23.319%0.18615%0.147CC..THydrogen-bonded Turntrans64.318.8-163.500000112.2L1753 G1754 N1775G1751-L1753 PolarHBondContact O-N 3.07Å; G1751-G1754 WeakPolarHBondContact O-CA 3.45Å; G1751-G1754 PolarHBondContact O-N 2.96Å; G1751-N1775 CarbonylContact C-O 3.48Å; G1751-N1775 WeakPolarHBondContact CA-O 3.36Å; G1751-N1775 PolarHBondContact N-O 2.92Å
1752G91.1Very high91.9Very high0 Ų022.6 Ų22.60%014%0.144CC..THydrogen-bonded Turntrans-66.5-3-17300000115.5V1749 T1750 L1758 N1775V1749-G1752 PolarHBondContact O-N 3.38Å; T1750-G1752 PolarHBondContact O-N 3Å; G1752-L1758 WeakPolarHBondContact O-CA 3.28Å; G1752-L1758 WeakPolarHBondContact O-CB 3.49Å; G1752-L1758 PolarHBondContact O-N 3.33Å; G1752-N1775 PolarHBondContact N-O 3.34Å
1753L90.9Very high92Very high22 Ų2222 Ų2212%0.11514%0.144CC..THydrogen-bonded Turntrans-108-2.1170.5-52.3-178000113.1G1751 L1774 S1778 P1780 I1788 V1800G1751-L1753 PolarHBondContact O-N 3.07Å; L1753-L1774 HydrophobicContact CD2-CB 4.03Å; L1753-L1774 HydrophobicContact CD2-CD1 3.97Å; L1753-S1778 WeakPolarHBondContact CD1-O 3.4Å; L1753-P1780 HydrophobicContact CD1-CB 4.38Å; L1753-P1780 HydrophobicContact CD1-CG 3.86Å; L1753-P1780 HydrophobicContact CD2-CG 4.37Å; L1753-I1788 HydrophobicContact CD2-CD1 3.77Å; L1753-V1800 HydrophobicContact CD1-CG1 3.87Å; L1753-V1800 HydrophobicContact CD2-CG1 4.23Å; L1753-V1800 HydrophobicContact CD2-CG2 4.38Å; L1753-V1800 HydrophobicContact CG-CG1 4.46Å
1754G84.1Confident92.3Very high37 Ų3717.4 Ų17.438%0.38111%0.114SC..SBendtrans-83.2156.6164.200000110.5G1751 L1756 G1757 L1758G1751-G1754 WeakPolarHBondContact O-CA 3.45Å; G1751-G1754 PolarHBondContact O-N 2.96Å; G1754-L1756 PolarHBondContact O-N 3.43Å; G1754-G1757 PolarHBondContact O-N 2.9Å; G1754-G1757 VanDerWaalsContact O-N 3.17Å; G1754-L1758 WeakPolarHBondContact O-CB 3.39Å; G1754-L1758 PolarHBondContact O-N 3.45Å
1755G83.9Confident92.3Very high38 Ų3815 Ų1539%0.39210%0.104SC..Hα-helixtrans-47.1-57.5-167.700000114.9L1758 F1759 I1924G1755-L1758 PolarHBondContact O-N 2.99Å; G1755-F1759 WeakPolarHBondContact O-CB 3.5Å; G1755-F1759 PolarHBondContact O-N 2.87Å; G1755-I1924 WeakPolarHBondContact O-CG2 3.43Å
1756L87.2Confident92.1Very high37 Ų3719.1 Ų19.119%0.19414%0.138CC..Hα-helixtrans-64.7-42-177.4-66.7176000112.9G1754 F1759 L1760 W1921 I1924G1754-L1756 PolarHBondContact O-N 3.43Å; L1756-F1759 PolarHBondContact O-N 3.04Å; L1756-L1760 WeakPolarHBondContact O-CB 3.37Å; L1756-L1760 WeakPolarHBondContact O-CG 3.45Å; L1756-L1760 PolarHBondContact O-N 2.95Å; L1756-W1921 HydrophobicContact CD1-CD2 4.34Å; L1756-W1921 HydrophobicContact CD1-CG 4.2Å; L1756-W1921 HydrophobicContact CD2-CB 4.09Å; L1756-W1921 HydrophobicContact CD2-CD2 3.44Å; L1756-W1921 VanDerWaalsContact CD2-CD2 3.44Å; L1756-W1921 HydrophobicContact CD2-CE3 3.3Å; L1756-W1921 HydrophobicContact CD2-CG 3.84Å; L1756-W1921 HydrophobicContact CD2-CH2 4.39Å; L1756-W1921 HydrophobicContact CD2-CZ3 3.81Å; L1756-I1924 HydrophobicContact CD2-CB 4.08Å; L1756-I1924 HydrophobicContact CD2-CG2 3.84Å; L1756-I1924 WeakPolarHBondContact CD2-O 3.47Å; L1756-I1924 HydrophobicContact CG-CG2 4.26Å
1757G90.2Very high91.7Very high2 Ų220.8 Ų20.82%0.02115%0.152CC..Hα-helixtrans-66.3-37.7178.400000112.6G1754 A1761G1754-G1757 PolarHBondContact O-N 2.9Å; G1754-G1757 VanDerWaalsContact O-N 3.17Å; G1757-A1761 WeakPolarHBondContact O-CB 2.98Å; G1757-A1761 PolarHBondContact O-N 3.17Å
1758L92.5Very high91.2Very high8 Ų822.5 Ų22.54%0.04217%0.169CC..Hα-helixtrans-71.8-38.8176.5-178.264.5000112.1G1752 G1754 G1755 A1761 G1762 L1774 A1784 V1787 I1788G1752-L1758 WeakPolarHBondContact O-CA 3.28Å; G1752-L1758 WeakPolarHBondContact O-CB 3.49Å; G1752-L1758 PolarHBondContact O-N 3.33Å; G1754-L1758 WeakPolarHBondContact O-CB 3.39Å; G1754-L1758 PolarHBondContact O-N 3.45Å; G1755-L1758 PolarHBondContact O-N 2.99Å; L1758-A1761 PolarHBondContact O-N 2.82Å; L1758-G1762 PolarHBondContact O-N 2.8Å; L1758-L1774 HydrophobicContact CD1-CD1 4.11Å; L1758-A1784 HydrophobicContact CD2-CB 3.9Å; L1758-V1787 HydrophobicContact CD1-CB 4.29Å; L1758-V1787 HydrophobicContact CD1-CG1 3.99Å; L1758-V1787 HydrophobicContact CD2-CB 4.05Å; L1758-V1787 HydrophobicContact CD2-CG1 4.21Å; L1758-V1787 HydrophobicContact CD2-CG2 4.18Å; L1758-V1787 HydrophobicContact CG-CB 4.32Å; L1758-V1787 HydrophobicContact CG-CG1 3.96Å; L1758-I1788 HydrophobicContact CD1-CD1 4.43Å; L1758-I1788 HydrophobicContact CD1-CG1 4Å
1759F93.3Very high90.9Very high49 Ų4922.9 Ų22.922%0.21517%0.172CC..Hα-helixtrans-62.8-51.6174.5168.9-109.5000111.4G1755 L1756 A1761 G1762 E1763 W1921 I1924 P1940 A1944G1755-F1759 WeakPolarHBondContact O-CB 3.5Å; G1755-F1759 PolarHBondContact O-N 2.87Å; L1756-F1759 PolarHBondContact O-N 3.04Å; F1759-A1761 VanDerWaalsContact C-N 3.26Å; F1759-A1761 PolarHBondContact O-N 3.45Å; F1759-G1762 WeakPolarHBondContact O-CA 3.49Å; F1759-G1762 PolarHBondContact O-N 2.93Å; F1759-E1763 HydrophobicContact CE1-CG 4.27Å; F1759-E1763 HydrophobicContact CE2-CG 4.35Å; F1759-E1763 HydrophobicContact CZ-CG 4.02Å; F1759-E1763 PolarHBondContact O-N 2.77Å; F1759-E1763 VanDerWaalsContact O-N 3.16Å; F1759-W1921 HydrophobicContact CD1-CZ3 4.24Å; F1759-W1921 HydrophobicContact CE1-CZ3 4.06Å; F1759-I1924 HydrophobicContact CB-CD1 4.01Å; F1759-I1924 HydrophobicContact CB-CG2 4.42Å; F1759-I1924 HydrophobicContact CD1-CD1 4.33Å; F1759-I1924 HydrophobicContact CD2-CD1 3.88Å; F1759-I1924 HydrophobicContact CG-CD1 3.79Å; F1759-P1940 HydrophobicContact CD1-CB 4.49Å; F1759-P1940 HydrophobicContact CE1-CB 3.89Å; F1759-P1940 WeakPolarHBondContact CE1-O 3.32Å; F1759-P1940 HydrophobicContact CE2-CB 4.06Å; F1759-P1940 HydrophobicContact CZ-CB 3.65Å; F1759-P1940 WeakPolarHBondContact CZ-O 3.26Å; F1759-A1944 HydrophobicContact CE1-CB 3.94Å; F1759-A1944 HydrophobicContact CZ-CB 4.01Å
1760L92.8Very high90.5Very high0 Ų023.7 Ų23.70%018%0.181CC..Hα-helixtrans-67.2-24.8179.4-67.6166.5000113.1L1756 G1762 E1763 L1764 L1829 F1877 W1921 A1944 F1947L1756-L1760 WeakPolarHBondContact O-CB 3.37Å; L1756-L1760 WeakPolarHBondContact O-CG 3.45Å; L1756-L1760 PolarHBondContact O-N 2.95Å; L1760-G1762 VanDerWaalsContact C-N 3.3Å; L1760-E1763 PolarHBondContact O-N 2.84Å; L1760-L1764 WeakPolarHBondContact O-CB 3.34Å; L1760-L1764 VanDerWaalsContact O-CG 3.3Å; L1760-L1764 WeakPolarHBondContact O-CG 3.47Å; L1760-L1764 PolarHBondContact O-N 2.89Å; L1760-L1829 HydrophobicContact CB-CD2 3.8Å; L1760-L1829 HydrophobicContact CD1-CD2 3.97Å; L1760-F1877 HydrophobicContact CD1-CE1 3.59Å; L1760-F1877 HydrophobicContact CD1-CE2 4.25Å; L1760-F1877 HydrophobicContact CD1-CZ 3.28Å; L1760-W1921 HydrophobicContact CD2-CH2 4.41Å; L1760-A1944 HydrophobicContact CD2-CB 4.45Å; L1760-F1947 HydrophobicContact CD2-CD1 4.06Å; L1760-F1947 HydrophobicContact CD2-CE1 4.5Å; L1760-F1947 HydrophobicContact CD2-CG 4.42Å
1761A92Very high90.5Very high0 Ų025.3 Ų25.30%019%0.187CC..Hα-helixtrans-66-31.7167.500000112.9G1757 L1758 F1759 A1765 I1772 L1774G1757-A1761 WeakPolarHBondContact O-CB 2.98Å; G1757-A1761 PolarHBondContact O-N 3.17Å; L1758-A1761 PolarHBondContact O-N 2.82Å; F1759-A1761 VanDerWaalsContact C-N 3.26Å; F1759-A1761 PolarHBondContact O-N 3.45Å; A1761-A1765 WeakPolarHBondContact O-CB 3.17Å; A1761-A1765 PolarHBondContact O-N 3.03Å; A1761-I1772 HydrophobicContact CB-CG2 4.22Å; A1761-I1772 WeakPolarHBondContact O-CD1 3.39Å; A1761-L1774 HydrophobicContact CB-CD2 3.52Å
1762G92.4Very high90.8Very high13 Ų1324.5 Ų24.513%0.13418%0.178CC..Hα-helixtrans-66.2-43.7169.900000112.4L1758 F1759 L1760 A1765 A1766L1758-G1762 PolarHBondContact O-N 2.8Å; F1759-G1762 WeakPolarHBondContact O-CA 3.49Å; F1759-G1762 PolarHBondContact O-N 2.93Å; L1760-G1762 VanDerWaalsContact C-N 3.3Å; G1762-A1765 WeakPolarHBondContact O-CB 3.3Å; G1762-A1765 PolarHBondContact O-N 3.46Å; G1762-A1766 PolarHBondContact O-N 2.7Å
1763E92.1Very high91.1Very high61 Ų6124.5 Ų24.529%0.28518%0.178SC..Hα-helixtrans-63.2-43.1176-65.1-61.5111.400112.3F1759 L1760 A1765 A1766 A1767 A1944F1759-E1763 HydrophobicContact CE1-CG 4.27Å; F1759-E1763 HydrophobicContact CE2-CG 4.35Å; F1759-E1763 HydrophobicContact CZ-CG 4.02Å; F1759-E1763 PolarHBondContact O-N 2.77Å; F1759-E1763 VanDerWaalsContact O-N 3.16Å; L1760-E1763 PolarHBondContact O-N 2.84Å; E1763-A1765 VanDerWaalsContact C-N 3.31Å; E1763-A1765 PolarHBondContact O-N 2.96Å; E1763-A1766 PolarHBondContact O-N 3.03Å; E1763-A1767 VanDerWaalsContact O-CB 3.3Å; E1763-A1767 WeakPolarHBondContact O-CB 3.25Å; E1763-A1767 PolarHBondContact O-N 2.97Å; E1763-A1944 HydrophobicContact CG-CB 3.82Å
1764L92.6Very high91.4Very high9 Ų923.4 Ų23.45%0.04717%0.173CC..Hα-helixtrans-63.3-36.6174.1-71.5170.4000112V1749 L1760 A1767 G1768 C1769 I1772 W1873 F1947V1749-L1764 HydrophobicContact CG2-CD1 4.28Å; L1760-L1764 WeakPolarHBondContact O-CB 3.34Å; L1760-L1764 VanDerWaalsContact O-CG 3.3Å; L1760-L1764 WeakPolarHBondContact O-CG 3.47Å; L1760-L1764 PolarHBondContact O-N 2.89Å; L1764-A1767 PolarHBondContact O-N 2.72Å; L1764-G1768 PolarHBondContact O-N 3.18Å; L1764-C1769 HydrophobicContact CB-CB 4.42Å; L1764-C1769 WeakPolarHBondContact O-CB 3.45Å; L1764-C1769 PolarHBondContact O-N 3.03Å; L1764-C1769 VanDerWaalsContact O-N 3.11Å; L1764-C1769 PolarHBondContact O-SG 3.21Å; L1764-C1769 VanDerWaalsContact O-SG 3.33Å; L1764-I1772 HydrophobicContact CB-CD1 3.78Å; L1764-W1873 HydrophobicContact CD1-CH2 4.28Å; L1764-W1873 HydrophobicContact CD2-CH2 4.13Å; L1764-W1873 HydrophobicContact CD2-CZ2 3.88Å; L1764-F1947 HydrophobicContact CD2-CE1 4.32Å
1765A91.8Very high92.1Very high19 Ų1921.8 Ų21.816%0.15716%0.155CC..Hα-helixtrans-66.7-45.7174.500000111.8A1761 G1762 E1763 A1767 G1768 I1772 L1791 A1796A1761-A1765 WeakPolarHBondContact O-CB 3.17Å; A1761-A1765 PolarHBondContact O-N 3.03Å; G1762-A1765 WeakPolarHBondContact O-CB 3.3Å; G1762-A1765 PolarHBondContact O-N 3.46Å; E1763-A1765 VanDerWaalsContact C-N 3.31Å; E1763-A1765 PolarHBondContact O-N 2.96Å; A1765-A1767 VanDerWaalsContact C-N 3.27Å; A1765-A1767 PolarHBondContact O-N 3.32Å; A1765-G1768 PolarHBondContact O-N 2.95Å; A1765-I1772 HydrophobicContact CB-CD1 3.91Å; A1765-L1791 HydrophobicContact CB-CD2 4.25Å; A1765-A1796 HydrophobicContact CB-CB 3.67Å
1766A88.4Confident92.5Very high87 Ų8721 Ų2172%0.71914%0.144SC*.Hα-helixtrans-62.7-34.2175.800000112.4G1762 E1763 G1768G1762-A1766 PolarHBondContact O-N 2.7Å; E1763-A1766 PolarHBondContact O-N 3.03Å; A1766-G1768 PolarHBondContact O-N 2.9Å
1767A87.9Confident92.7Very high35 Ų3525.4 Ų25.429%0.28916%0.158SC..THydrogen-bonded Turntrans-74.10.3174.200000114.2S1741 E1763 L1764 A1765S1741-A1767 WeakPolarHBondContact CB-O 3.2Å; S1741-A1767 PolarHBondContact OG-O 3.1Å; E1763-A1767 VanDerWaalsContact O-CB 3.3Å; E1763-A1767 WeakPolarHBondContact O-CB 3.25Å; E1763-A1767 PolarHBondContact O-N 2.97Å; L1764-A1767 PolarHBondContact O-N 2.72Å; A1765-A1767 VanDerWaalsContact C-N 3.27Å; A1765-A1767 PolarHBondContact O-N 3.32Å
1768G87.1Confident92.6Very high36 Ų3629.1 Ų29.137%0.37118%0.183SC..THydrogen-bonded Turntrans8226.7174.600000115.6R1742 P1743 L1764 A1765 A1766R1742-G1768 CarbonylContact C-O 3.5Å; P1743-G1768 WeakPolarHBondContact CA-O 3.26Å; P1743-G1768 VanDerWaalsContact N-O 3.16Å; L1764-G1768 PolarHBondContact O-N 3.18Å; A1765-G1768 PolarHBondContact O-N 2.95Å; A1766-G1768 PolarHBondContact O-N 2.9Å
1769C91.3Very high92.4Very high8 Ų834 Ų345%0.05421%0.213CC..  trans-64133.5169.4-71.90000111.8S1741 R1742 Y1747 L1764 I1772S1741-C1769 WeakPolarHBondContact CB-SG 3.24Å; R1742-C1769 WeakPolarHBondContact O-CA 3.35Å; Y1747-C1769 HydrophobicContact CD2-CB 3.51Å; Y1747-C1769 HydrophobicContact CE2-CB 3.62Å; Y1747-C1769 WeakPolarHBondContact CE2-SG 3.42Å; Y1747-C1769 HydrophobicContact CG-CB 4.18Å; L1764-C1769 HydrophobicContact CB-CB 4.42Å; L1764-C1769 WeakPolarHBondContact O-CB 3.45Å; L1764-C1769 PolarHBondContact O-N 3.03Å; L1764-C1769 VanDerWaalsContact O-N 3.11Å; L1764-C1769 PolarHBondContact O-SG 3.21Å; L1764-C1769 VanDerWaalsContact O-SG 3.33Å; C1769-I1772 HydrophobicContact CB-CD1 4.25Å; C1769-I1772 HydrophobicContact CB-CG1 4.18Å
1770G90.6Very high92.2Very high19 Ų1933.7 Ų33.720%0.19622%0.217CC..SBendtrans-62.6-63.6-17400000114.8R1742 P1743 G1745R1742-G1770 PolarHBondContact O-N 2.85Å; P1743-G1770 WeakPolarHBondContact O-CA 3.46Å; G1745-G1770 WeakPolarHBondContact O-CA 3.45Å; G1745-G1770 PolarHBondContact O-N 2.87Å
1771R96.2Very high92Very high33 Ų3336.4 Ų36.413%0.12524%0.235CC..EExtended strand (participates in β ladder)trans-123.4140.4174169.8171.1-75.8-161.2-2.2110.9G1745 A1746 Y1747 V1773 D1797 V1817 A1818 L1823G1745-R1771 PolarHBondContact O-N 2.7Å; G1745-R1771 VanDerWaalsContact O-N 3.07Å; A1746-R1771 CarbonylContact C-O 3.54Å; A1746-R1771 WeakPolarHBondContact CA-O 3.28Å; A1746-R1771 HydrophobicContact CB-CB 4.22Å; Y1747-R1771 PolarHBondContact N-O 3.06Å; R1771-V1773 HydrophobicContact CG-CG2 4.18Å; R1771-D1797 WeakPolarHBondContact CA-O 3.47Å; R1771-D1797 HydrophobicContact CB-CB 4.47Å; R1771-D1797 IonicContact CZ-OD2 3.17Å; R1771-D1797 IonicContact NE-OD1 3.42Å; R1771-D1797 IonicContact NE-OD2 2.82Å; R1771-D1797 PolarHBondContact NE-OD2 2.73Å; R1771-D1797 IonicContact NH2-OD1 2.97Å; R1771-D1797 IonicContact NH2-OD2 2.69Å; R1771-D1797 PolarHBondContact NH2-OD2 2.84Å; R1771-V1817 PolarHBondContact NH1-O 2.96Å; R1771-A1818 WeakPolarHBondContact CD-O 3.42Å; R1771-L1823 HydrophobicContact CB-CD1 3.95Å
1772I97.6Very high91.8Very high1 Ų141.2 Ų41.21%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-124.4126.8175.9-54.1174.8000109.3Y1747 V1749 A1761 L1764 A1765 C1769 L1774 D1797 I1798 Q1799Y1747-I1772 CarbonylContact O-C 3.47Å; Y1747-I1772 WeakPolarHBondContact O-CA 3.48Å; V1749-I1772 HydrophobicContact CG2-CG2 4.05Å; A1761-I1772 HydrophobicContact CB-CG2 4.22Å; A1761-I1772 WeakPolarHBondContact O-CD1 3.39Å; L1764-I1772 HydrophobicContact CB-CD1 3.78Å; A1765-I1772 HydrophobicContact CB-CD1 3.91Å; C1769-I1772 HydrophobicContact CB-CD1 4.25Å; C1769-I1772 HydrophobicContact CB-CG1 4.18Å; I1772-L1774 HydrophobicContact CG2-CD2 3.83Å; I1772-D1797 PolarHBondContact N-O 3.39Å; I1772-I1798 HydrophobicContact CB-CG1 4.4Å; I1772-I1798 CarbonylContact O-C 3.32Å; I1772-I1798 WeakPolarHBondContact O-CA 3.49Å; I1772-Q1799 PolarHBondContact O-N 2.83Å
1773V97.8Very high91.5Very high0 Ų046 Ų460%029%0.285CS..EExtended strand (participates in β ladder)trans-112.6115.2178.8-172.70000110.2Y1747 L1748 V1749 R1771 Q1799 E1801 V1814 V1817 A1818Y1747-V1773 PolarHBondContact O-N 2.89Å; L1748-V1773 HydrophobicContact CD2-CB 4.08Å; L1748-V1773 HydrophobicContact CD2-CG2 4.35Å; V1749-V1773 PolarHBondContact N-O 3.44Å; R1771-V1773 HydrophobicContact CG-CG2 4.18Å; V1773-Q1799 WeakPolarHBondContact CA-O 3.21Å; V1773-Q1799 HydrophobicContact CG2-CB 4.32Å; V1773-E1801 HydrophobicContact CG1-CB 4.22Å; V1773-V1814 HydrophobicContact CG1-CG1 4.19Å; V1773-V1817 HydrophobicContact CG1-CB 4.36Å; V1773-V1817 HydrophobicContact CG1-CG1 3.93Å; V1773-V1817 HydrophobicContact CG2-CG1 4.14Å; V1773-A1818 HydrophobicContact CG2-CB 3.65Å
1774L97.9Very high91.4Very high0 Ų043 Ų430%027%0.272CS..EExtended strand (participates in β ladder)trans-93120.1179.2-49.6-178.2000109.8V1749 L1753 L1758 A1761 I1772 I1788 I1798 Q1799 V1800 E1801V1749-L1774 HydrophobicContact CB-CD2 3.9Å; V1749-L1774 HydrophobicContact CG2-CD2 4.08Å; L1753-L1774 HydrophobicContact CD2-CB 4.03Å; L1753-L1774 HydrophobicContact CD2-CD1 3.97Å; L1758-L1774 HydrophobicContact CD1-CD1 4.11Å; A1761-L1774 HydrophobicContact CB-CD2 3.52Å; I1772-L1774 HydrophobicContact CG2-CD2 3.83Å; L1774-I1788 HydrophobicContact CD1-CD1 3.88Å; L1774-I1788 HydrophobicContact CD1-CG1 3.91Å; L1774-I1798 HydrophobicContact CD1-CG2 3.67Å; L1774-I1798 HydrophobicContact CG-CG2 3.88Å; L1774-Q1799 PolarHBondContact N-O 3.19Å; L1774-V1800 HydrophobicContact CB-CG2 4.41Å; L1774-V1800 WeakPolarHBondContact O-CA 3.48Å; L1774-E1801 PolarHBondContact O-N 3.02Å
1775N97.5Very high91.4Very high3 Ų345 Ų452%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-106.7139.8174.2168-104.7000112V1749 G1751 G1752 E1801 G1803 V1814V1749-N1775 PolarHBondContact O-N 2.88Å; G1751-N1775 CarbonylContact C-O 3.48Å; G1751-N1775 WeakPolarHBondContact CA-O 3.36Å; G1751-N1775 PolarHBondContact N-O 2.92Å; G1752-N1775 PolarHBondContact N-O 3.34Å; N1775-E1801 WeakPolarHBondContact CA-O 3.49Å; N1775-E1801 PolarHBondContact ND2-O 3.33Å; N1775-G1803 PolarHBondContact ND2-O 2.8Å; N1775-V1814 HydrophobicContact CB-CG2 3.81Å
1776S94.3Very high91.3Very high22 Ų2251.3 Ų51.315%0.15430%0.304CS..EExtended strand (participates in β ladder)trans-158.3154.7175.6-179.50000110.5S1778 C1802 G1803S1776-S1778 VanDerWaalsContact C-N 3.28Å; S1776-S1778 WeakPolarHBondContact CB-O 3.38Å; S1776-S1778 PolarHBondContact OG-N 3.11Å; S1776-S1778 PolarHBondContact OG-O 2.97Å; S1776-C1802 CarbonylContact O-C 3.59Å; S1776-C1802 VanDerWaalsContact O-CA 3.3Å; S1776-C1802 WeakPolarHBondContact O-CA 3.47Å; S1776-G1803 CarbonylContact C-O 3.57Å; S1776-G1803 PolarHBondContact O-N 2.9Å
1777R91.4Very high91.4Very high129 Ų12949.2 Ų49.249%0.48728%0.282SS..SBendtrans-66.5-31.7171.2-66.3179.5-59.9-167.9-3.6112.7G1803 D1804R1777-G1803 PolarHBondContact N-O 3.41Å; R1777-D1804 WeakPolarHBondContact CD-OD2 3.39Å; R1777-D1804 HydrophobicContact CG-CB 3.85Å; R1777-D1804 IonicContact NH1-OD2 3.22Å
1778S88.1Confident91.6Very high79 Ų7947.7 Ų47.755%0.55227%0.269SS*.SBendtrans-101.7151.7-178.9-51.70000111L1753 S1776L1753-S1778 WeakPolarHBondContact CD1-O 3.4Å; S1776-S1778 VanDerWaalsContact C-N 3.28Å; S1776-S1778 WeakPolarHBondContact CB-O 3.38Å; S1776-S1778 PolarHBondContact OG-N 3.11Å; S1776-S1778 PolarHBondContact OG-O 2.97Å
1779T88.1Confident92Very high110 Ų11051.1 Ų51.168%0.67528%0.275SS*.PPolyproline II helixtrans-62.1158.6165.346.50000111.6S1781T1779-S1781 PolarHBondContact O-N 3.42Å
1780P89.4Confident92Very high44 Ų4460.5 Ų60.529%0.28631%0.31SS..PPolyproline II helixtrans-52.8130.3175.6-28.635.6000113.5L1753 A1784 T1785 V1800L1753-P1780 HydrophobicContact CD1-CB 4.38Å; L1753-P1780 HydrophobicContact CD1-CG 3.86Å; L1753-P1780 HydrophobicContact CD2-CG 4.37Å; P1780-A1784 HydrophobicContact CB-CB 4.3Å; P1780-T1785 WeakPolarHBondContact CB-OG1 3.36Å; P1780-V1800 HydrophobicContact CG-CG1 4.03Å; P1780-V1800 HydrophobicContact CG-CG2 4.38Å
1781S88.5Confident92Very high56 Ų5661 Ų6139%0.39231%0.308SS..PPolyproline II helixtrans-69.4159.3168.173.20000110.5T1779 H1783 A1784 T1785T1779-S1781 PolarHBondContact O-N 3.42Å; S1781-H1783 PolarHBondContact O-N 3.26Å; S1781-A1784 PolarHBondContact O-N 3.34Å; S1781-A1784 PolarHBondContact OG-N 2.94Å; S1781-T1785 PolarHBondContact O-N 2.94Å; S1781-T1785 PolarHBondContact O-OG1 3.16Å
1782P87.8Confident91.9Very high101 Ų10164.8 Ų64.866%0.65632%0.322SS*.Hα-helixtrans-57.4-23.4176.9-26.935.6000114.4R1786P1782-R1786 WeakPolarHBondContact O-CG 3.35Å; P1782-R1786 VanDerWaalsContact O-CZ 3.31Å; P1782-R1786 PolarHBondContact O-NH1 2.93Å
1783H85.2Confident91.4Very high113 Ų11369 Ų6952%0.52336%0.357SS..Hα-helixtrans-73.9-51.7169.6174.9101000111.1S1781 T1785 R1786 V1787S1781-H1783 PolarHBondContact O-N 3.26Å; H1783-T1785 VanDerWaalsContact C-N 3.31Å; H1783-T1785 PolarHBondContact O-N 3.2Å; H1783-R1786 PolarHBondContact O-N 3.15Å; H1783-R1786 VanDerWaalsContact O-N 3.16Å; H1783-V1787 PolarHBondContact O-N 2.74Å
1784A89.2Confident90.8Very high0 Ų073.2 Ų73.20%039%0.392CS..Hα-helixtrans-58.9-41.3-178.400000112.4L1758 P1780 S1781 R1786 V1787 I1788L1758-A1784 HydrophobicContact CD2-CB 3.9Å; P1780-A1784 HydrophobicContact CB-CB 4.3Å; S1781-A1784 PolarHBondContact O-N 3.34Å; S1781-A1784 PolarHBondContact OG-N 2.94Å; A1784-R1786 PolarHBondContact O-N 2.75Å; A1784-V1787 PolarHBondContact O-N 2.72Å; A1784-I1788 WeakPolarHBondContact O-CD1 3.38Å; A1784-I1788 VanDerWaalsContact O-CG1 3.28Å; A1784-I1788 WeakPolarHBondContact O-CG1 3.48Å; A1784-I1788 PolarHBondContact O-N 2.9Å
1785T92.4Very high90.1Very high50 Ų5076.5 Ų76.531%0.30743%0.425SS..Hα-helixtrans-56-47.7175.4-53.20000111.9P1780 S1781 H1783 V1787 I1788 E1789P1780-T1785 WeakPolarHBondContact CB-OG1 3.36Å; S1781-T1785 PolarHBondContact O-N 2.94Å; S1781-T1785 PolarHBondContact O-OG1 3.16Å; H1783-T1785 VanDerWaalsContact C-N 3.31Å; H1783-T1785 PolarHBondContact O-N 3.2Å; T1785-V1787 VanDerWaalsContact C-N 3.33Å; T1785-V1787 PolarHBondContact O-N 2.74Å; T1785-I1788 PolarHBondContact O-N 3.04Å; T1785-E1789 HydrophobicContact CG2-CG 4.38Å; T1785-E1789 WeakPolarHBondContact O-CB 3.43Å; T1785-E1789 VanDerWaalsContact O-CG 3.29Å; T1785-E1789 WeakPolarHBondContact O-CG 3.36Å; T1785-E1789 PolarHBondContact O-N 3.43Å
1786R91Very high89.7Confident151 Ų15177.1 Ų77.157%0.5743%0.431SS*.Hα-helixtrans-63.4-36179.2-69.6-171.7-58.1-99.510.9113.1P1782 H1783 A1784 R1790P1782-R1786 WeakPolarHBondContact O-CG 3.35Å; P1782-R1786 VanDerWaalsContact O-CZ 3.31Å; P1782-R1786 PolarHBondContact O-NH1 2.93Å; H1783-R1786 PolarHBondContact O-N 3.15Å; H1783-R1786 VanDerWaalsContact O-N 3.16Å; A1784-R1786 PolarHBondContact O-N 2.75Å; R1786-R1790 WeakPolarHBondContact O-CB 3.37Å; R1786-R1790 PolarHBondContact O-N 2.84Å
1787V89.6Confident89.7Confident43 Ų4378.5 Ų78.526%0.26144%0.437SS..Hα-helixtrans-68.2-46176.1177.80000110.4L1758 H1783 A1784 T1785 E1789 R1790 L1791L1758-V1787 HydrophobicContact CD1-CB 4.29Å; L1758-V1787 HydrophobicContact CD1-CG1 3.99Å; L1758-V1787 HydrophobicContact CD2-CB 4.05Å; L1758-V1787 HydrophobicContact CD2-CG1 4.21Å; L1758-V1787 HydrophobicContact CD2-CG2 4.18Å; L1758-V1787 HydrophobicContact CG-CB 4.32Å; L1758-V1787 HydrophobicContact CG-CG1 3.96Å; H1783-V1787 PolarHBondContact O-N 2.74Å; A1784-V1787 PolarHBondContact O-N 2.72Å; T1785-V1787 VanDerWaalsContact C-N 3.33Å; T1785-V1787 PolarHBondContact O-N 2.74Å; V1787-E1789 VanDerWaalsContact C-N 3.34Å; V1787-E1789 PolarHBondContact O-N 2.92Å; V1787-R1790 PolarHBondContact O-N 2.83Å; V1787-L1791 HydrophobicContact CG1-CD1 4.01Å; V1787-L1791 WeakPolarHBondContact O-CG 3.49Å; V1787-L1791 PolarHBondContact O-N 2.89Å
1788I93.6Very high89.9Confident4 Ų472.4 Ų72.42%0.02141%0.414CS..Hα-helixtrans-62.2-41.4177.6-66.9162.4000111.1L1753 L1758 L1774 A1784 T1785 L1791 R1792 I1798 V1800L1753-I1788 HydrophobicContact CD2-CD1 3.77Å; L1758-I1788 HydrophobicContact CD1-CD1 4.43Å; L1758-I1788 HydrophobicContact CD1-CG1 4Å; L1774-I1788 HydrophobicContact CD1-CD1 3.88Å; L1774-I1788 HydrophobicContact CD1-CG1 3.91Å; A1784-I1788 WeakPolarHBondContact O-CD1 3.38Å; A1784-I1788 VanDerWaalsContact O-CG1 3.28Å; A1784-I1788 WeakPolarHBondContact O-CG1 3.48Å; A1784-I1788 PolarHBondContact O-N 2.9Å; T1785-I1788 PolarHBondContact O-N 3.04Å; I1788-L1791 PolarHBondContact O-N 2.84Å; I1788-R1792 WeakPolarHBondContact O-CB 3.43Å; I1788-R1792 VanDerWaalsContact O-CG 3.28Å; I1788-R1792 WeakPolarHBondContact O-CG 3.42Å; I1788-R1792 PolarHBondContact O-N 3.42Å; I1788-I1798 HydrophobicContact CG1-CG2 4.44Å; I1788-I1798 HydrophobicContact CG2-CB 4.29Å; I1788-I1798 HydrophobicContact CG2-CG2 3.99Å; I1788-V1800 HydrophobicContact CD1-CG2 3.85Å
1789E93.7Very high90.3Very high108 Ų10871.5 Ų71.551%0.50540%0.401SS..Hα-helixtrans-64.3-41.8175.1-73.8169.3163.900112.2T1785 V1787 R1792 A1793T1785-E1789 HydrophobicContact CG2-CG 4.38Å; T1785-E1789 WeakPolarHBondContact O-CB 3.43Å; T1785-E1789 VanDerWaalsContact O-CG 3.29Å; T1785-E1789 WeakPolarHBondContact O-CG 3.36Å; T1785-E1789 PolarHBondContact O-N 3.43Å; V1787-E1789 VanDerWaalsContact C-N 3.34Å; V1787-E1789 PolarHBondContact O-N 2.92Å; E1789-R1792 PolarHBondContact O-N 3.27Å; E1789-A1793 WeakPolarHBondContact O-CB 3.49Å; E1789-A1793 PolarHBondContact O-N 3.17Å
1790R91.2Very high90.7Very high205 Ų20568.1 Ų68.177%0.77438%0.38SS*.Hα-helixtrans-62.4-42.3174.9-175.9179.1178.9-173.8-1.2112.2R1786 V1787 A1793 A1794R1786-R1790 WeakPolarHBondContact O-CB 3.37Å; R1786-R1790 PolarHBondContact O-N 2.84Å; V1787-R1790 PolarHBondContact O-N 2.83Å; R1790-A1793 PolarHBondContact O-N 2.79Å; R1790-A1794 PolarHBondContact O-N 2.97Å; R1790-A1794 VanDerWaalsContact O-N 3.1Å
1791L91.2Very high91Very high30 Ų3067.9 Ų67.916%0.15738%0.375CS..Hα-helixtrans-69.6-39.1178.6-68170.4000112A1765 V1787 I1788 A1793 A1794 G1795 A1796 I1798A1765-L1791 HydrophobicContact CB-CD2 4.25Å; V1787-L1791 HydrophobicContact CG1-CD1 4.01Å; V1787-L1791 WeakPolarHBondContact O-CG 3.49Å; V1787-L1791 PolarHBondContact O-N 2.89Å; I1788-L1791 PolarHBondContact O-N 2.84Å; L1791-A1793 VanDerWaalsContact C-N 3.35Å; L1791-A1794 WeakPolarHBondContact O-CB 3.43Å; L1791-A1794 PolarHBondContact O-N 2.8Å; L1791-G1795 PolarHBondContact O-N 2.97Å; L1791-A1796 WeakPolarHBondContact O-CB 3.3Å; L1791-A1796 PolarHBondContact O-N 2.88Å; L1791-A1796 VanDerWaalsContact O-N 3.14Å; L1791-I1798 HydrophobicContact CB-CD1 3.5Å; L1791-I1798 VanDerWaalsContact CB-CD1 3.5Å; L1791-I1798 HydrophobicContact CD1-CD1 3.52Å; L1791-I1798 HydrophobicContact CG-CD1 4.14Å
1792R93.8Very high91.3Very high111 Ų11167.3 Ų67.342%0.41937%0.371SS..Hα-helixtrans-62.5-39.8170.9-74.2168.6173.5172.7-4.7112.2I1788 E1789 A1794 G1795 A1796 I1798I1788-R1792 WeakPolarHBondContact O-CB 3.43Å; I1788-R1792 VanDerWaalsContact O-CG 3.28Å; I1788-R1792 WeakPolarHBondContact O-CG 3.42Å; I1788-R1792 PolarHBondContact O-N 3.42Å; E1789-R1792 PolarHBondContact O-N 3.27Å; R1792-A1794 PolarHBondContact O-N 2.8Å; R1792-G1795 PolarHBondContact O-N 2.86Å; R1792-A1796 WeakPolarHBondContact CA-O 3.34Å; R1792-I1798 HydrophobicContact CG-CB 4.4Å; R1792-I1798 VanDerWaalsContact CZ-O 3.26Å; R1792-I1798 PolarHBondContact NE-O 3.32Å; R1792-I1798 PolarHBondContact NH2-O 2.93Å
1793A88.3Confident91.6Very high90 Ų9063.3 Ų63.374%0.74435%0.348SS*.Hα-helixtrans-66.4-24.5175.200000113.2E1789 R1790 L1791 G1795E1789-A1793 WeakPolarHBondContact O-CB 3.49Å; E1789-A1793 PolarHBondContact O-N 3.17Å; R1790-A1793 PolarHBondContact O-N 2.79Å; L1791-A1793 VanDerWaalsContact C-N 3.35Å; A1793-G1795 VanDerWaalsContact C-N 3.28Å
1794A84.2Confident92Very high88 Ų8860.5 Ų60.573%0.72734%0.337SS*.THydrogen-bonded Turntrans-81.7-0.5169.700000113.8R1790 L1791 R1792R1790-A1794 PolarHBondContact O-N 2.97Å; R1790-A1794 VanDerWaalsContact O-N 3.1Å; L1791-A1794 WeakPolarHBondContact O-CB 3.43Å; L1791-A1794 PolarHBondContact O-N 2.8Å; R1792-A1794 PolarHBondContact O-N 2.8Å
1795G84.5Confident92.4Very high69 Ų6960.6 Ų60.671%0.71134%0.337SS*.THydrogen-bonded Turntrans104.70.4174.600000116.2L1791 R1792 A1793L1791-G1795 PolarHBondContact O-N 2.97Å; R1792-G1795 PolarHBondContact O-N 2.86Å; A1793-G1795 VanDerWaalsContact C-N 3.28Å
1796A89.2Confident92.5Very high17 Ų1759.6 Ų59.614%0.1433%0.334CS..  trans-83.2130.6-176.100000113.6A1765 L1791 R1792 I1798A1765-A1796 HydrophobicContact CB-CB 3.67Å; L1791-A1796 WeakPolarHBondContact O-CB 3.3Å; L1791-A1796 PolarHBondContact O-N 2.88Å; L1791-A1796 VanDerWaalsContact O-N 3.14Å; R1792-A1796 WeakPolarHBondContact CA-O 3.34Å; A1796-I1798 HydrophobicContact CB-CG1 4.13Å; A1796-I1798 PolarHBondContact O-N 3.36Å
1797D94Very high92.7Very high50 Ų5055.8 Ų55.827%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-78.883173.9-177.39.5000111R1771 I1772 Q1799R1771-D1797 WeakPolarHBondContact CA-O 3.47Å; R1771-D1797 HydrophobicContact CB-CB 4.47Å; R1771-D1797 IonicContact CZ-OD2 3.17Å; R1771-D1797 IonicContact NE-OD1 3.42Å; R1771-D1797 IonicContact NE-OD2 2.82Å; R1771-D1797 PolarHBondContact NE-OD2 2.73Å; R1771-D1797 IonicContact NH2-OD1 2.97Å; R1771-D1797 IonicContact NH2-OD2 2.69Å; R1771-D1797 PolarHBondContact NH2-OD2 2.84Å; I1772-D1797 PolarHBondContact N-O 3.39Å; D1797-Q1799 PolarHBondContact OD1-NE2 2.97Å
1798I95.7Very high92.8Very high1 Ų155.5 Ų55.51%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-94.7124.5175.1-55.1-167.6000110.6I1772 L1774 I1788 L1791 R1792 A1796I1772-I1798 HydrophobicContact CB-CG1 4.4Å; I1772-I1798 CarbonylContact O-C 3.32Å; I1772-I1798 WeakPolarHBondContact O-CA 3.49Å; L1774-I1798 HydrophobicContact CD1-CG2 3.67Å; L1774-I1798 HydrophobicContact CG-CG2 3.88Å; I1788-I1798 HydrophobicContact CG1-CG2 4.44Å; I1788-I1798 HydrophobicContact CG2-CB 4.29Å; I1788-I1798 HydrophobicContact CG2-CG2 3.99Å; L1791-I1798 HydrophobicContact CB-CD1 3.5Å; L1791-I1798 VanDerWaalsContact CB-CD1 3.5Å; L1791-I1798 HydrophobicContact CD1-CD1 3.52Å; L1791-I1798 HydrophobicContact CG-CD1 4.14Å; R1792-I1798 HydrophobicContact CG-CB 4.4Å; R1792-I1798 VanDerWaalsContact CZ-O 3.26Å; R1792-I1798 PolarHBondContact NE-O 3.32Å; R1792-I1798 PolarHBondContact NH2-O 2.93Å; A1796-I1798 HydrophobicContact CB-CG1 4.13Å; A1796-I1798 PolarHBondContact O-N 3.36Å
1799Q95.6Very high92.8Very high60 Ų6057.7 Ų57.728%0.2835%0.345SS..EExtended strand (participates in β ladder)trans-112.8156.6172.7-58.2-58-30.400110.8I1772 V1773 L1774 D1797 V1817I1772-Q1799 PolarHBondContact O-N 2.83Å; V1773-Q1799 WeakPolarHBondContact CA-O 3.21Å; V1773-Q1799 HydrophobicContact CG2-CB 4.32Å; L1774-Q1799 PolarHBondContact N-O 3.19Å; D1797-Q1799 PolarHBondContact OD1-NE2 2.97Å; Q1799-V1817 HydrophobicContact CB-CG1 3.8Å; Q1799-V1817 HydrophobicContact CG-CG1 4.3Å
1800V95.9Very high93Very high39 Ų3952.7 Ų52.724%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-129.5125.2177.6-175.60000109.1L1753 L1774 P1780 I1788L1753-V1800 HydrophobicContact CD1-CG1 3.87Å; L1753-V1800 HydrophobicContact CD2-CG1 4.23Å; L1753-V1800 HydrophobicContact CD2-CG2 4.38Å; L1753-V1800 HydrophobicContact CG-CG1 4.46Å; L1774-V1800 HydrophobicContact CB-CG2 4.41Å; L1774-V1800 WeakPolarHBondContact O-CA 3.48Å; P1780-V1800 HydrophobicContact CG-CG1 4.03Å; P1780-V1800 HydrophobicContact CG-CG2 4.38Å; I1788-V1800 HydrophobicContact CD1-CG2 3.85Å
1801E95.9Very high93.2Very high39 Ų3942.9 Ų42.918%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-124.6111.5179173.954.1-156.600109.9V1773 L1774 N1775 R1813 V1814 V1817V1773-E1801 HydrophobicContact CG1-CB 4.22Å; L1774-E1801 PolarHBondContact O-N 3.02Å; N1775-E1801 WeakPolarHBondContact CA-O 3.49Å; N1775-E1801 PolarHBondContact ND2-O 3.33Å; E1801-R1813 HydrophobicContact CG-CB 4.17Å; E1801-R1813 WeakPolarHBondContact OE1-CB 3.31Å; E1801-R1813 WeakPolarHBondContact OE1-CD 3.4Å; E1801-R1813 IonicContact OE1-CZ 3.53Å; E1801-R1813 IonicContact OE1-NE 2.76Å; E1801-R1813 PolarHBondContact OE1-NE 3.07Å; E1801-R1813 IonicContact OE1-NH2 3.47Å; E1801-V1814 HydrophobicContact CB-CG2 4.06Å; E1801-V1814 HydrophobicContact CG-CG2 3.67Å; E1801-V1817 HydrophobicContact CB-CG2 4.32Å; E1801-V1817 HydrophobicContact CG-CG2 4.32Å
1802C95.1Very high93.4Very high45 Ų4546.8 Ų46.830%0.30430%0.302SS..EExtended strand (participates in β ladder)trans-87.9144.7-172.8-64.90000112.5S1776 R1813S1776-C1802 CarbonylContact O-C 3.59Å; S1776-C1802 VanDerWaalsContact O-CA 3.3Å; S1776-C1802 WeakPolarHBondContact O-CA 3.47Å; C1802-R1813 PolarHBondContact O-NH2 2.89Å
1803G93.9Very high93.6Very high16 Ų1645.9 Ų45.917%0.16530%0.299CS..SBendtrans151.4162.4178.500000111.8N1775 S1776 R1777N1775-G1803 PolarHBondContact ND2-O 2.8Å; S1776-G1803 CarbonylContact C-O 3.57Å; S1776-G1803 PolarHBondContact O-N 2.9Å; R1777-G1803 PolarHBondContact N-O 3.41Å
1804D94.5Very high94Very high55 Ų5541.6 Ų41.629%0.29426%0.264SS..  trans-78.8126.7170.9-157.7-33.3000110.3R1777 A1806 D1807 T1810R1777-D1804 WeakPolarHBondContact CD-OD2 3.39Å; R1777-D1804 HydrophobicContact CG-CB 3.85Å; R1777-D1804 IonicContact NH1-OD2 3.22Å; D1804-A1806 PolarHBondContact O-N 3.2Å; D1804-A1806 WeakPolarHBondContact OD1-CB 3.42Å; D1804-A1806 PolarHBondContact OD1-N 2.97Å; D1804-D1807 WeakPolarHBondContact O-CB 3.39Å; D1804-D1807 PolarHBondContact O-N 2.91Å; D1804-T1810 WeakPolarHBondContact O-CB 3.49Å; D1804-T1810 PolarHBondContact O-OG1 3.47Å
1805I96.7Very high94.5Very high2 Ų238 Ų381%0.0123%0.233CC..THydrogen-bonded Turntrans-75.1-14.1-179.5-159.566.4000112.7T1750 D1807 T1810 A1811 A1832 N1861 I1862T1750-I1805 HydrophobicContact CG2-CD1 4.49Å; T1750-I1805 HydrophobicContact CG2-CG1 4.1Å; I1805-D1807 PolarHBondContact O-N 2.88Å; I1805-T1810 HydrophobicContact CD1-CG2 4.16Å; I1805-A1811 HydrophobicContact CD1-CB 3.82Å; I1805-A1832 HydrophobicContact CG2-CB 3.82Å; I1805-N1861 PolarHBondContact O-ND2 3.15Å; I1805-I1862 HydrophobicContact CD1-CD1 3.71Å; I1805-I1862 HydrophobicContact CD1-CG1 3.7Å; I1805-I1862 HydrophobicContact CG1-CD1 3.72Å; I1805-I1862 HydrophobicContact CG1-CG1 3.8Å
1806A94.9Very high95Very high29 Ų2937.4 Ų37.424%0.2422%0.221CC..THydrogen-bonded Turntrans-64.9-21165.800000112.7D1804 A1853 H1857 N1861D1804-A1806 PolarHBondContact O-N 3.2Å; D1804-A1806 WeakPolarHBondContact OD1-CB 3.42Å; D1804-A1806 PolarHBondContact OD1-N 2.97Å; A1806-A1853 HydrophobicContact CB-CB 3.89Å; A1806-H1857 HydrophobicContact CB-CB 4.34Å; A1806-N1861 PolarHBondContact O-ND2 3.28Å
1807D94.4Very high95.4Very high71 Ų7138.4 Ų38.438%0.3823%0.225SC..SBendtrans-82.2122.5164.7155.649.1000110.7D1804 I1805 A1809 T1810 A1811 R1813D1804-D1807 WeakPolarHBondContact O-CB 3.39Å; D1804-D1807 PolarHBondContact O-N 2.91Å; I1805-D1807 PolarHBondContact O-N 2.88Å; D1807-A1809 VanDerWaalsContact C-N 3.25Å; D1807-A1809 PolarHBondContact O-N 2.73Å; D1807-A1809 VanDerWaalsContact OD1-CB 3.32Å; D1807-A1809 WeakPolarHBondContact OD1-CB 3.42Å; D1807-A1809 PolarHBondContact OD1-N 3.2Å; D1807-T1810 WeakPolarHBondContact O-CB 3.35Å; D1807-T1810 PolarHBondContact O-N 3.24Å; D1807-T1810 VanDerWaalsContact O-N 3.12Å; D1807-T1810 PolarHBondContact OD2-N 3.22Å; D1807-T1810 PolarHBondContact OD2-OG1 3.47Å; D1807-A1811 PolarHBondContact O-N 3.1Å; D1807-R1813 IonicContact OD2-NH1 2.74Å
1808A91.6Very high95.4Very high37 Ų3736 Ų3631%0.30621%0.212SC..Hα-helixtrans-61.5-30.9179.100000113.2T1810 A1811 H1812 N1861A1808-T1810 VanDerWaalsContact C-N 3.3Å; A1808-T1810 PolarHBondContact O-N 3.5Å; A1808-A1811 PolarHBondContact O-N 2.69Å; A1808-H1812 PolarHBondContact O-CD2 2.72Å; A1808-H1812 PolarHBondContact O-N 2.78Å; A1808-N1861 PolarHBondContact N-ND2 2.55Å
1809A95.3Very high95.4Very high49 Ų4938.1 Ų38.141%0.40523%0.225SC..Hα-helixtrans-65.9-34.417700000111.5D1807 H1812 R1813D1807-A1809 VanDerWaalsContact C-N 3.25Å; D1807-A1809 PolarHBondContact O-N 2.73Å; D1807-A1809 VanDerWaalsContact OD1-CB 3.32Å; D1807-A1809 WeakPolarHBondContact OD1-CB 3.42Å; D1807-A1809 PolarHBondContact OD1-N 3.2Å; A1809-H1812 PolarHBondContact O-N 2.66Å; A1809-R1813 WeakPolarHBondContact O-CG 3.48Å; A1809-R1813 PolarHBondContact O-N 2.6Å
1810T97.1Very high95.2Very high3 Ų339 Ų392%0.01824%0.243CC..Hα-helixtrans-63.3-43.7173.9-62.70000111.9D1804 I1805 D1807 A1808 H1812 R1813 V1814D1804-T1810 WeakPolarHBondContact O-CB 3.49Å; D1804-T1810 PolarHBondContact O-OG1 3.47Å; I1805-T1810 HydrophobicContact CD1-CG2 4.16Å; D1807-T1810 WeakPolarHBondContact O-CB 3.35Å; D1807-T1810 PolarHBondContact O-N 3.24Å; D1807-T1810 VanDerWaalsContact O-N 3.12Å; D1807-T1810 PolarHBondContact OD2-N 3.22Å; D1807-T1810 PolarHBondContact OD2-OG1 3.47Å; A1808-T1810 VanDerWaalsContact C-N 3.3Å; A1808-T1810 PolarHBondContact O-N 3.5Å; T1810-H1812 VanDerWaalsContact C-N 3.29Å; T1810-H1812 PolarHBondContact O-N 3.13Å; T1810-R1813 PolarHBondContact O-N 3.08Å; T1810-R1813 VanDerWaalsContact O-N 3.16Å; T1810-R1813 PolarHBondContact OG1-NH1 3.17Å; T1810-R1813 PolarHBondContact OG1-NH2 2.93Å; T1810-V1814 HydrophobicContact CG2-CG2 4.31Å; T1810-V1814 VanDerWaalsContact O-CG2 3.31Å; T1810-V1814 WeakPolarHBondContact O-CG2 3.37Å; T1810-V1814 PolarHBondContact O-N 3.4Å
1811A95.5Very high94.7Very high0 Ų039.7 Ų39.70%025%0.25CC..Hα-helixtrans-59.4-39.817600000112.3I1805 D1807 A1808 V1815 N1861 I1862 A1865I1805-A1811 HydrophobicContact CD1-CB 3.82Å; D1807-A1811 PolarHBondContact O-N 3.1Å; A1808-A1811 PolarHBondContact O-N 2.69Å; A1811-V1815 WeakPolarHBondContact O-CG2 3.49Å; A1811-V1815 PolarHBondContact O-N 3.02Å; A1811-N1861 HydrophobicContact CB-CB 3.81Å; A1811-I1862 HydrophobicContact CB-CG1 3.99Å; A1811-A1865 HydrophobicContact CB-CB 3.9Å
1812H95.6Very high94.4Very high111 Ų11141.1 Ų41.151%0.51428%0.275SS..Hα-helixtrans-67.4-39.4174.3-73.2-65000113.4A1808 A1809 T1810 V1815 A1816A1808-H1812 PolarHBondContact O-CD2 2.72Å; A1808-H1812 PolarHBondContact O-N 2.78Å; A1809-H1812 PolarHBondContact O-N 2.66Å; T1810-H1812 VanDerWaalsContact C-N 3.29Å; T1810-H1812 PolarHBondContact O-N 3.13Å; H1812-V1815 PolarHBondContact O-N 3Å; H1812-A1816 WeakPolarHBondContact O-CB 3.49Å; H1812-A1816 PolarHBondContact O-N 3.05Å
1813R96.7Very high94.3Very high93 Ų9341 Ų4135%0.35127%0.27SS..Hα-helixtrans-63.4-43.4174.5-66.8-168.1-45.3-79.6-2.5111.9E1801 C1802 D1807 A1809 T1810 V1815 A1816 V1817E1801-R1813 HydrophobicContact CG-CB 4.17Å; E1801-R1813 WeakPolarHBondContact OE1-CB 3.31Å; E1801-R1813 WeakPolarHBondContact OE1-CD 3.4Å; E1801-R1813 IonicContact OE1-CZ 3.53Å; E1801-R1813 IonicContact OE1-NE 2.76Å; E1801-R1813 PolarHBondContact OE1-NE 3.07Å; E1801-R1813 IonicContact OE1-NH2 3.47Å; C1802-R1813 PolarHBondContact O-NH2 2.89Å; D1807-R1813 IonicContact OD2-NH1 2.74Å; A1809-R1813 WeakPolarHBondContact O-CG 3.48Å; A1809-R1813 PolarHBondContact O-N 2.6Å; T1810-R1813 PolarHBondContact O-N 3.08Å; T1810-R1813 VanDerWaalsContact O-N 3.16Å; T1810-R1813 PolarHBondContact OG1-NH1 3.17Å; T1810-R1813 PolarHBondContact OG1-NH2 2.93Å; R1813-V1815 PolarHBondContact O-N 3.38Å; R1813-A1816 WeakPolarHBondContact O-CB 3.42Å; R1813-A1816 PolarHBondContact O-N 2.85Å; R1813-A1816 VanDerWaalsContact O-N 3.15Å; R1813-V1817 WeakPolarHBondContact O-CG2 3.44Å; R1813-V1817 PolarHBondContact O-N 2.78Å
1814V97Very high94.4Very high0 Ų042 Ų420%028%0.275CS..Hα-helixtrans-59.4-43.8178.1169.80000111.6L1748 V1773 N1775 E1801 T1810 V1817 A1818L1748-V1814 HydrophobicContact CD1-CG1 4.14Å; L1748-V1814 HydrophobicContact CD2-CG1 3.85Å; L1748-V1814 HydrophobicContact CG-CG1 4.4Å; V1773-V1814 HydrophobicContact CG1-CG1 4.19Å; N1775-V1814 HydrophobicContact CB-CG2 3.81Å; E1801-V1814 HydrophobicContact CB-CG2 4.06Å; E1801-V1814 HydrophobicContact CG-CG2 3.67Å; T1810-V1814 HydrophobicContact CG2-CG2 4.31Å; T1810-V1814 VanDerWaalsContact O-CG2 3.31Å; T1810-V1814 WeakPolarHBondContact O-CG2 3.37Å; T1810-V1814 PolarHBondContact O-N 3.4Å; V1814-V1817 PolarHBondContact O-N 3.17Å; V1814-A1818 WeakPolarHBondContact O-CB 3.39Å; V1814-A1818 PolarHBondContact O-N 2.89Å; V1814-A1818 VanDerWaalsContact O-N 3.11Å
1815V95.5Very high94.5Very high13 Ų1339.4 Ų39.48%0.07926%0.261CS..Hα-helixtrans-67-37.9175173.50000112.1L1748 A1811 H1812 R1813 A1818 T1819 V1825 A1865 T1866 Q1869L1748-V1815 HydrophobicContact CD1-CG2 3.97Å; A1811-V1815 WeakPolarHBondContact O-CG2 3.49Å; A1811-V1815 PolarHBondContact O-N 3.02Å; H1812-V1815 PolarHBondContact O-N 3Å; R1813-V1815 PolarHBondContact O-N 3.38Å; V1815-A1818 PolarHBondContact O-N 3.45Å; V1815-T1819 PolarHBondContact O-N 3.36Å; V1815-T1819 PolarHBondContact O-OG1 3.02Å; V1815-V1825 HydrophobicContact CG1-CG2 4.5Å; V1815-A1865 HydrophobicContact CG2-CB 3.93Å; V1815-T1866 HydrophobicContact CG2-CG2 3.82Å; V1815-Q1869 HydrophobicContact CG1-CG 4.4Å
1816A95.3Very high94.4Very high56 Ų5641.7 Ų41.746%0.46327%0.269SS..Hα-helixtrans-65-43175.800000112.3H1812 R1813 A1818 T1819 A1820H1812-A1816 WeakPolarHBondContact O-CB 3.49Å; H1812-A1816 PolarHBondContact O-N 3.05Å; R1813-A1816 WeakPolarHBondContact O-CB 3.42Å; R1813-A1816 PolarHBondContact O-N 2.85Å; R1813-A1816 VanDerWaalsContact O-N 3.15Å; A1816-A1818 VanDerWaalsContact C-N 3.3Å; A1816-A1818 PolarHBondContact O-N 3.41Å; A1816-T1819 PolarHBondContact O-N 2.86Å; A1816-T1819 PolarHBondContact O-OG1 3.07Å; A1816-A1820 WeakPolarHBondContact O-CB 3.2Å; A1816-A1820 PolarHBondContact O-N 3.15Å
1817V96.9Very high94.5Very high37 Ų3740.3 Ų40.322%0.22426%0.258CS..Hα-helixtrans-63-37.1175.41710000111.6R1771 V1773 Q1799 E1801 R1813 V1814R1771-V1817 PolarHBondContact NH1-O 2.96Å; V1773-V1817 HydrophobicContact CG1-CB 4.36Å; V1773-V1817 HydrophobicContact CG1-CG1 3.93Å; V1773-V1817 HydrophobicContact CG2-CG1 4.14Å; Q1799-V1817 HydrophobicContact CB-CG1 3.8Å; Q1799-V1817 HydrophobicContact CG-CG1 4.3Å; E1801-V1817 HydrophobicContact CB-CG2 4.32Å; E1801-V1817 HydrophobicContact CG-CG2 4.32Å; R1813-V1817 WeakPolarHBondContact O-CG2 3.44Å; R1813-V1817 PolarHBondContact O-N 2.78Å; V1814-V1817 PolarHBondContact O-N 3.17Å
1818A94.7Very high94.7Very high0 Ų037 Ų370%024%0.24CC..Hα-helixtrans-66.9-43.2176.400000112.7A1746 L1748 R1771 V1773 V1814 V1815 A1816 V1825A1746-A1818 HydrophobicContact CB-CB 4.05Å; L1748-A1818 HydrophobicContact CD2-CB 3.47Å; L1748-A1818 VanDerWaalsContact CD2-CB 3.47Å; R1771-A1818 WeakPolarHBondContact CD-O 3.42Å; V1773-A1818 HydrophobicContact CG2-CB 3.65Å; V1814-A1818 WeakPolarHBondContact O-CB 3.39Å; V1814-A1818 PolarHBondContact O-N 2.89Å; V1814-A1818 VanDerWaalsContact O-N 3.11Å; V1815-A1818 PolarHBondContact O-N 3.45Å; A1816-A1818 VanDerWaalsContact C-N 3.3Å; A1816-A1818 PolarHBondContact O-N 3.41Å; A1818-V1825 HydrophobicContact CB-CG2 3.93Å
1819T94.6Very high94.9Very high46 Ų4635.2 Ų35.228%0.28223%0.225SC..Hα-helixtrans-86.5-8.9-176.652.60000114.2V1815 A1816 S1821 G1822 L1823 V1825V1815-T1819 PolarHBondContact O-N 3.36Å; V1815-T1819 PolarHBondContact O-OG1 3.02Å; A1816-T1819 PolarHBondContact O-N 2.86Å; A1816-T1819 PolarHBondContact O-OG1 3.07Å; T1819-S1821 PolarHBondContact O-N 2.91Å; T1819-S1821 VanDerWaalsContact O-N 3.1Å; T1819-G1822 PolarHBondContact O-N 3.48Å; T1819-L1823 WeakPolarHBondContact CA-O 3.49Å; T1819-V1825 HydrophobicContact CG2-CG2 3.97Å
1820A93.4Very high95.1Very high79 Ų7932.9 Ų32.965%0.65321%0.206SC*.THydrogen-bonded Turntrans-61.3-17.3-18000000115.2A1816A1816-A1820 WeakPolarHBondContact O-CB 3.2Å; A1816-A1820 PolarHBondContact O-N 3.15Å
1821S84.6Confident94.9Very high53 Ų5333.7 Ų33.737%0.37121%0.213SC..THydrogen-bonded Turntrans-87-0.2171.549.70000114T1819 L1823T1819-S1821 PolarHBondContact O-N 2.91Å; T1819-S1821 VanDerWaalsContact O-N 3.1Å; S1821-L1823 VanDerWaalsContact C-N 3.25Å; S1821-L1823 WeakPolarHBondContact OG-CG 3.11Å
1822G89.1Confident94.8Very high69 Ų6934.2 Ų34.271%0.71122%0.217SC*.SBendtrans82.1-5-170.700000114.3T1819T1819-G1822 PolarHBondContact O-N 3.48Å
1823L93.2Very high94.6Very high41 Ų4130.8 Ų30.822%0.21521%0.208CC..PPolyproline II helixtrans-76.1130176.5-58.9-177.3000110.7A1746 R1771 T1819 S1821A1746-L1823 HydrophobicContact CB-CB 4.06Å; R1771-L1823 HydrophobicContact CB-CD1 3.95Å; T1819-L1823 WeakPolarHBondContact CA-O 3.49Å; S1821-L1823 VanDerWaalsContact C-N 3.25Å; S1821-L1823 WeakPolarHBondContact OG-CG 3.11Å
1824P95.7Very high94.1Very high39 Ų3926.9 Ų26.925%0.25320%0.195SC..PPolyproline II helixtrans-69.2149.6170.530.1-35.1000110.8A1746 R1826 P1870A1746-P1824 PolarHBondContact N-O 3.49Å; P1824-R1826 PolarHBondContact O-N 3.28Å; P1824-P1870 HydrophobicContact CB-CG 3.71Å; P1824-P1870 HydrophobicContact CG-CG 4.42Å
1825V97.1Very high93.5Very high0 Ų028.6 Ų28.60%021%0.205CC..EExtended strand (participates in β ladder)trans-70.2128.9170.2-170.50000108.9A1746 L1748 V1815 A1818 T1819 V1828 Q1869 L1871A1746-V1825 CarbonylContact O-C 3.6Å; A1746-V1825 VanDerWaalsContact O-CA 3.31Å; A1746-V1825 WeakPolarHBondContact O-CA 3.27Å; L1748-V1825 HydrophobicContact CD1-CG1 4.15Å; L1748-V1825 HydrophobicContact CD2-CG1 4.39Å; L1748-V1825 HydrophobicContact CG-CG1 3.83Å; V1815-V1825 HydrophobicContact CG1-CG2 4.5Å; A1818-V1825 HydrophobicContact CB-CG2 3.93Å; T1819-V1825 HydrophobicContact CG2-CG2 3.97Å; V1825-V1828 HydrophobicContact CG1-CG2 4.37Å; V1825-Q1869 HydrophobicContact CB-CB 3.99Å; V1825-Q1869 HydrophobicContact CB-CG 3.95Å; V1825-Q1869 HydrophobicContact CG2-CG 4.03Å; V1825-L1871 HydrophobicContact CB-CD2 4.14Å; V1825-L1871 HydrophobicContact CG1-CD2 3.67Å
1826R95.3Very high93Very high50 Ų5031.3 Ų31.319%0.18922%0.217CC..EExtended strand (participates in β ladder)trans-114.7-30.5-179.3-64-55.8-162.5165.59113.5D1744 A1746 Y1747 P1824 P1870 L1871 E1872 W1873D1744-R1826 IonicContact OD2-NH2 3.17Å; A1746-R1826 PolarHBondContact O-N 3.39Å; Y1747-R1826 HydrophobicContact CE1-CB 4.07Å; Y1747-R1826 HydrophobicContact CE2-CB 4.38Å; P1824-R1826 PolarHBondContact O-N 3.28Å; R1826-P1870 VanDerWaalsContact CD-O 3.31Å; R1826-P1870 WeakPolarHBondContact CD-O 3.43Å; R1826-P1870 PolarHBondContact NH1-O 2.98Å; R1826-L1871 CarbonylContact O-C 3.59Å; R1826-L1871 WeakPolarHBondContact O-CA 3.49Å; R1826-E1872 PolarHBondContact O-N 3.36Å; R1826-W1873 PolarHBondContact O-N 2.85Å
1827G96.2Very high92.6Very high0 Ų033.6 Ų33.60%022%0.221CC..EExtended strand (participates in β ladder)trans-138.9148.8179.800000113Y1747 L1748Y1747-G1827 WeakPolarHBondContact CA-O 3.24Å; L1748-G1827 PolarHBondContact N-O 2.87Å
1828V97.9Very high92.2Very high0 Ų032.5 Ų32.50%022%0.216CC..EExtended strand (participates in β ladder)trans-132.5122.1177177.70000108.6L1748 V1825 I1862 T1866 L1871 W1873 F1874 C1875L1748-V1828 HydrophobicContact CB-CG2 4.44Å; L1748-V1828 HydrophobicContact CD1-CG2 4.17Å; L1748-V1828 HydrophobicContact CG-CG2 4.41Å; V1825-V1828 HydrophobicContact CG1-CG2 4.37Å; V1828-I1862 HydrophobicContact CG1-CG2 3.74Å; V1828-I1862 HydrophobicContact CG2-CG2 4.46Å; V1828-T1866 HydrophobicContact CG2-CG2 4.13Å; V1828-L1871 HydrophobicContact CG2-CD1 4.07Å; V1828-L1871 HydrophobicContact CG2-CD2 3.92Å; V1828-W1873 VanDerWaalsContact C-CZ3 3.44Å; V1828-W1873 PolarHBondContact N-O 3.35Å; V1828-W1873 WeakPolarHBondContact O-CZ3 3.32Å; V1828-F1874 HydrophobicContact CB-CD2 3.67Å; V1828-F1874 HydrophobicContact CB-CE2 3.94Å; V1828-F1874 HydrophobicContact CB-CG 3.99Å; V1828-F1874 HydrophobicContact CB-CZ 4.47Å; V1828-F1874 HydrophobicContact CG1-CD1 4.39Å; V1828-F1874 HydrophobicContact CG1-CD2 3.94Å; V1828-F1874 HydrophobicContact CG1-CE1 4.15Å; V1828-F1874 HydrophobicContact CG1-CE2 3.7Å; V1828-F1874 HydrophobicContact CG1-CG 4.28Å; V1828-F1874 HydrophobicContact CG1-CZ 3.82Å; V1828-F1874 HydrophobicContact CG2-CD2 3.84Å; V1828-F1874 HydrophobicContact CG2-CE2 4.02Å; V1828-F1874 CarbonylContact O-C 3.54Å; V1828-C1875 PolarHBondContact O-N 2.99Å
1829L97.4Very high92Very high0 Ų035.7 Ų35.70%024%0.236CC..EExtended strand (participates in β ladder)trans-109.6104.4171.1172.354.7000108.5L1748 V1749 T1750 L1760 W1873 C1875 F1877 F1947L1748-L1829 PolarHBondContact O-N 2.88Å; V1749-L1829 WeakPolarHBondContact CA-O 3.35Å; V1749-L1829 HydrophobicContact CG1-CB 4.37Å; V1749-L1829 HydrophobicContact CG1-CD2 3.93Å; V1749-L1829 HydrophobicContact CG1-CG 4.09Å; V1749-L1829 HydrophobicContact CG2-CB 4.33Å; V1749-L1829 HydrophobicContact CG2-CD2 4.4Å; T1750-L1829 PolarHBondContact N-O 3.2Å; L1760-L1829 HydrophobicContact CB-CD2 3.8Å; L1760-L1829 HydrophobicContact CD1-CD2 3.97Å; L1829-W1873 HydrophobicContact CB-CH2 4.45Å; L1829-W1873 HydrophobicContact CB-CZ3 4.16Å; L1829-C1875 HydrophobicContact CD1-CB 4.16Å; L1829-F1877 HydrophobicContact CD1-CD2 3.4Å; L1829-F1877 VanDerWaalsContact CD1-CD2 3.4Å; L1829-F1877 HydrophobicContact CD1-CE2 3.37Å; L1829-F1877 HydrophobicContact CD1-CG 4.18Å; L1829-F1877 HydrophobicContact CD1-CZ 4.11Å; L1829-F1947 HydrophobicContact CD1-CE2 4.22Å; L1829-F1947 HydrophobicContact CD2-CZ 4.43Å
1830H97.8Very high91.6Very high0 Ų033.8 Ų33.80%022%0.224CC..EExtended strand (participates in β ladder)trans-95.797.2179.4-174.164000110.9T1750 P1854 K1855 A1859 C1875 L1876 F1877T1750-H1830 VanDerWaalsContact OG1-CA 3.29Å; T1750-H1830 WeakPolarHBondContact OG1-CA 3.28Å; T1750-H1830 PolarHBondContact OG1-ND1 3.34Å; H1830-P1854 PolarHBondContact CE1-O 3.01Å; H1830-P1854 PolarHBondContact NE2-O 3.37Å; H1830-K1855 PolarHBondContact NE2-O 3.11Å; H1830-A1859 PolarHBondContact CE1-N 3.43Å; H1830-A1859 PolarHBondContact NE2-N 3.49Å; H1830-C1875 PolarHBondContact N-O 3.1Å; H1830-L1876 HydrophobicContact CB-CD2 4.28Å; H1830-F1877 PolarHBondContact O-N 2.94Å
1831A94.4Very high91.2Very high21 Ų2132.6 Ų32.617%0.17421%0.214CC..  trans-12113.7-179.700000113.6T1750 A1833 F1877T1750-A1831 CarbonylContact O-C 3.56Å; T1750-A1831 VanDerWaalsContact O-C 3.32Å; T1750-A1831 WeakPolarHBondContact O-CA 3.34Å; T1750-A1831 WeakPolarHBondContact O-CB 3.37Å; T1750-A1831 PolarHBondContact O-N 3.26Å; T1750-A1831 PolarHBondContact OG1-N 2.85Å; A1831-A1833 PolarHBondContact O-N 3.47Å; A1831-F1877 HydrophobicContact CB-CB 3.99Å; A1831-F1877 HydrophobicContact CB-CD1 4.18Å; A1831-F1877 HydrophobicContact CB-CG 4.11Å
1832A92.5Very high91.4Very high10 Ų1035.2 Ų35.28%0.08322%0.224CC..  trans-61.9129.4169.600000111.3T1750 I1805 P1854T1750-A1832 PolarHBondContact O-N 3.07Å; T1750-A1832 WeakPolarHBondContact OG1-CB 3.29Å; T1750-A1832 PolarHBondContact OG1-N 3.25Å; I1805-A1832 HydrophobicContact CG2-CB 3.82Å; A1832-P1854 HydrophobicContact CB-CB 4.28Å
1833A90.8Very high91.5Very high39 Ų3932.2 Ų32.232%0.32219%0.192SC..  trans-151151.6-177.800000111.6A1831 Y1892A1831-A1833 PolarHBondContact O-N 3.47Å; A1833-Y1892 HydrophobicContact CB-CE2 4.43Å
1834V87.6Confident91.4Very high11 Ų1133.2 Ų33.27%0.06720%0.2CC..  trans-117.5145.9146.9169.80000106E1836 R1850 P1854 Y1892V1834-E1836 HydrophobicContact CG1-CG 3.87Å; V1834-E1836 WeakPolarHBondContact CG1-OE1 3.28Å; V1834-R1850 VanDerWaalsContact CB-O 3.29Å; V1834-R1850 WeakPolarHBondContact CB-O 3.44Å; V1834-R1850 HydrophobicContact CG1-CB 4.33Å; V1834-P1854 HydrophobicContact CB-CG 4.27Å; V1834-P1854 HydrophobicContact CG2-CG 4.1Å; V1834-Y1892 WeakPolarHBondContact O-CD2 3.43Å
1835V84.3Confident91.2Very high37 Ų3734.9 Ų34.922%0.22421%0.206CC..  trans-131.3120.2169.7-164.70000105.1Y1892V1835-Y1892 HydrophobicContact CG1-CD1 4.11Å; V1835-Y1892 HydrophobicContact CG1-CD2 4.39Å; V1835-Y1892 HydrophobicContact CG1-CE1 4.41Å; V1835-Y1892 HydrophobicContact CG1-CG 4.11Å; V1835-Y1892 HydrophobicContact CG2-CD2 3.97Å; V1835-Y1892 HydrophobicContact CG2-CE1 4.22Å; V1835-Y1892 HydrophobicContact CG2-CE2 3.59Å; V1835-Y1892 HydrophobicContact CG2-CG 4.44Å
1836E83.8Confident91Very high70 Ų7040.3 Ų40.333%0.32723%0.232SC..  trans-139.3114.8174.1-75177-140.600105.9V1834 L1847 R1850V1834-E1836 HydrophobicContact CG1-CG 3.87Å; V1834-E1836 WeakPolarHBondContact CG1-OE1 3.28Å; E1836-L1847 HydrophobicContact CB-CD1 4.21Å; E1836-L1847 HydrophobicContact CB-CG 4.29Å; E1836-R1850 VanDerWaalsContact CD-NE 3.25Å; E1836-R1850 WeakPolarHBondContact OE1-CD 3.5Å; E1836-R1850 IonicContact OE1-NE 3.25Å; E1836-R1850 PolarHBondContact OE1-NE 2.64Å; E1836-R1850 IonicContact OE2-CZ 3.97Å; E1836-R1850 IonicContact OE2-NE 3.77Å; E1836-R1850 PolarHBondContact OE2-NE 2.72Å; E1836-R1850 IonicContact OE2-NH2 2.87Å; E1836-R1850 PolarHBondContact OE2-NH2 3.37Å
1837D87.7Confident91Very high103 Ų10338.7 Ų38.755%0.55123%0.227SC*.  trans-90.1130.9-171.8-53.9-45.9000110.3G1888 Q1889D1837-G1888 CarbonylContact C-O 3.57Å; D1837-G1888 VanDerWaalsContact CA-O 3.23Å; D1837-G1888 WeakPolarHBondContact CA-O 3.39Å; D1837-Q1889 WeakPolarHBondContact OD1-CG 3.5Å; D1837-Q1889 PolarHBondContact OD1-NE2 2.76Å
1838A87.6Confident90.9Very high15 Ų1538.8 Ų38.812%0.12423%0.227CC..  trans-149.5129.517600000109.2N1842 V1843 L1847 G1888A1838-N1842 HydrophobicContact CB-CB 4.12Å; A1838-V1843 HydrophobicContact CB-CG2 4.16Å; A1838-V1843 WeakPolarHBondContact O-CG2 3.36Å; A1838-L1847 HydrophobicContact CB-CD1 3.66Å; A1838-G1888 CarbonylContact C-O 3.59Å; A1838-G1888 PolarHBondContact N-O 2.92Å; A1838-G1888 CarbonylContact O-C 3.58Å
1839T90.2Very high90.8Very high67 Ų6741.6 Ų41.641%0.41124%0.242SC..  trans-62.7158.2170.153.90000110.8E1333 A1841 N1842 V1843E1333-T1839 WeakPolarHBondContact OE2-CA 3.48Å; E1333-T1839 VanDerWaalsContact OE2-CB 3.25Å; E1333-T1839 WeakPolarHBondContact OE2-CB 3.42Å; T1839-A1841 PolarHBondContact O-N 3Å; T1839-N1842 WeakPolarHBondContact O-CA 3.49Å; T1839-N1842 PolarHBondContact O-N 3.24Å; T1839-N1842 PolarHBondContact OG1-ND2 2.93Å; T1839-V1843 PolarHBondContact O-N 2.95Å
1840L87.3Confident90.6Very high5 Ų546.4 Ų46.43%0.02626%0.261CS..G310 helixtrans-46.1-39.7-174.2-177.461.6000114.2V1284 A1287 R1288 I1330 E1333 N1842V1284-L1840 HydrophobicContact CB-CD1 4.4Å; V1284-L1840 HydrophobicContact CG1-CD1 4.28Å; V1284-L1840 HydrophobicContact CG2-CD1 4.31Å; A1287-L1840 HydrophobicContact CB-CD1 4.23Å; A1287-L1840 HydrophobicContact CB-CD2 3.82Å; R1288-L1840 HydrophobicContact CB-CG 4.38Å; I1330-L1840 HydrophobicContact CG1-CD1 4.24Å; I1330-L1840 HydrophobicContact CG1-CD2 4.35Å; I1330-L1840 HydrophobicContact CG2-CD2 4.44Å; E1333-L1840 PolarHBondContact OE2-N 3.32Å; L1840-N1842 VanDerWaalsContact C-N 3.3Å; L1840-N1842 PolarHBondContact O-N 3.33Å
1841A83.9Confident90.4Very high54 Ų5446.4 Ų46.445%0.44626%0.261SS..G310 helixtrans-60.2-35.717600000113.9R1288 T1839R1288-A1841 WeakPolarHBondContact CD-O 3.39Å; T1839-A1841 PolarHBondContact O-N 3Å
1842N90Very high90.5Very high108 Ų10845.5 Ų45.558%0.57825%0.252SS*.G310 helixtrans-100.7-4.4-171.8-63.2-75000114.1A1838 T1839 L1840 T1844A1838-N1842 HydrophobicContact CB-CB 4.12Å; T1839-N1842 WeakPolarHBondContact O-CA 3.49Å; T1839-N1842 PolarHBondContact O-N 3.24Å; T1839-N1842 PolarHBondContact OG1-ND2 2.93Å; L1840-N1842 VanDerWaalsContact C-N 3.3Å; L1840-N1842 PolarHBondContact O-N 3.33Å; N1842-T1844 PolarHBondContact O-N 3.41Å
1843V90.8Very high90.6Very high6 Ų646 Ų464%0.03626%0.257CS..  trans-66.8123.2175.9178.80000109.4V1284 A1838 T1839 L1847 I1848V1284-V1843 HydrophobicContact CG1-CB 3.81Å; V1284-V1843 HydrophobicContact CG1-CG1 3.88Å; V1284-V1843 HydrophobicContact CG2-CG1 4.12Å; A1838-V1843 HydrophobicContact CB-CG2 4.16Å; A1838-V1843 WeakPolarHBondContact O-CG2 3.36Å; T1839-V1843 PolarHBondContact O-N 2.95Å; V1843-L1847 HydrophobicContact CG1-CD2 4.45Å; V1843-I1848 HydrophobicContact CG1-CD1 3.76Å; V1843-I1848 HydrophobicContact CG1-CG1 3.61Å
1844T91.5Very high90.8Very high63 Ų6344.3 Ų44.339%0.38724%0.243SC..  trans-111.3158.3172.981.70000111.4N1842 E1846 L1847 I1848N1842-T1844 PolarHBondContact O-N 3.41Å; T1844-E1846 VanDerWaalsContact CB-OE2 3.24Å; T1844-E1846 WeakPolarHBondContact CB-OE2 3.34Å; T1844-E1846 PolarHBondContact O-N 3.03Å; T1844-E1846 PolarHBondContact OG1-N 3.34Å; T1844-E1846 PolarHBondContact OG1-OE2 3.21Å; T1844-L1847 WeakPolarHBondContact O-CB 3.35Å; T1844-L1847 PolarHBondContact O-N 2.87Å; T1844-L1847 PolarHBondContact OG1-N 3.45Å; T1844-I1848 WeakPolarHBondContact O-CG1 3.5Å; T1844-I1848 PolarHBondContact O-N 2.8Å
1845D91.2Very high91.2Very high73 Ų7344 Ų4439%0.3924%0.241SC..Hα-helixtrans-49.8-43.6173.6-100.437.8000112.7R1277 S1281 L1847 I1848 D1849R1277-D1845 IonicContact CZ-OD2 2.68Å; R1277-D1845 VanDerWaalsContact CZ-OD2 3.22Å; R1277-D1845 IonicContact NH1-OD1 3.06Å; R1277-D1845 IonicContact NH1-OD2 3.43Å; R1277-D1845 PolarHBondContact NH1-OD2 2.82Å; R1277-D1845 VanDerWaalsContact NH2-CG 3.28Å; R1277-D1845 IonicContact NH2-OD2 2.73Å; R1277-D1845 PolarHBondContact NH2-OD2 2.97Å; S1281-D1845 VanDerWaalsContact CB-OD1 3.29Å; S1281-D1845 WeakPolarHBondContact CB-OD1 3.4Å; S1281-D1845 PolarHBondContact OG-OD1 2.79Å; D1845-L1847 VanDerWaalsContact C-N 3.31Å; D1845-L1847 PolarHBondContact O-N 3.21Å; D1845-I1848 WeakPolarHBondContact O-CB 3.4Å; D1845-I1848 PolarHBondContact O-N 3.01Å; D1845-D1849 PolarHBondContact O-N 3.41Å
1846E93.5Very high91.8Very high115 Ų11542.3 Ų42.354%0.53723%0.23SC..Hα-helixtrans-70.4-27.6179.7-50.482.1177.200112.6T1844 R1850T1844-E1846 VanDerWaalsContact CB-OE2 3.24Å; T1844-E1846 WeakPolarHBondContact CB-OE2 3.34Å; T1844-E1846 PolarHBondContact O-N 3.03Å; T1844-E1846 PolarHBondContact OG1-N 3.34Å; T1844-E1846 PolarHBondContact OG1-OE2 3.21Å; E1846-R1850 WeakPolarHBondContact O-CB 3.37Å; E1846-R1850 VanDerWaalsContact O-CG 3.26Å; E1846-R1850 WeakPolarHBondContact O-CG 3.36Å; E1846-R1850 PolarHBondContact O-N 3.09Å; E1846-R1850 PolarHBondContact O-NH1 3.3Å
1847L94.3Very high92.4Very high15 Ų1540.8 Ų40.88%0.07922%0.223CC..Hα-helixtrans-74-39.8174-174.6151.2000110.5E1836 A1838 V1843 T1844 D1845 R1850 C1851 A1891E1836-L1847 HydrophobicContact CB-CD1 4.21Å; E1836-L1847 HydrophobicContact CB-CG 4.29Å; A1838-L1847 HydrophobicContact CB-CD1 3.66Å; V1843-L1847 HydrophobicContact CG1-CD2 4.45Å; T1844-L1847 WeakPolarHBondContact O-CB 3.35Å; T1844-L1847 PolarHBondContact O-N 2.87Å; T1844-L1847 PolarHBondContact OG1-N 3.45Å; D1845-L1847 VanDerWaalsContact C-N 3.31Å; D1845-L1847 PolarHBondContact O-N 3.21Å; L1847-R1850 PolarHBondContact O-N 3.32Å; L1847-C1851 PolarHBondContact O-N 3Å; L1847-C1851 VanDerWaalsContact O-N 3.08Å; L1847-C1851 PolarHBondContact O-SG 3.4Å; L1847-C1851 VanDerWaalsContact O-SG 3.33Å; L1847-A1891 HydrophobicContact CD2-CB 3.62Å
1848I94.5Very high92.8Very high2 Ų235.9 Ų35.91%0.0120%0.197CC..Hα-helixtrans-57.4-52.5170.4-64.3165.3000109.1R1277 V1280 S1281 V1284 V1843 T1844 D1845 R1850 C1851 W1852 A1891R1277-I1848 HydrophobicContact CG-CG2 4.04Å; V1280-I1848 HydrophobicContact CG1-CD1 4.2Å; V1280-I1848 HydrophobicContact CG1-CG1 4.37Å; V1280-I1848 HydrophobicContact CG1-CG2 3.94Å; S1281-I1848 WeakPolarHBondContact OG-CD1 3.31Å; V1284-I1848 HydrophobicContact CG2-CD1 4.43Å; V1843-I1848 HydrophobicContact CG1-CD1 3.76Å; V1843-I1848 HydrophobicContact CG1-CG1 3.61Å; T1844-I1848 WeakPolarHBondContact O-CG1 3.5Å; T1844-I1848 PolarHBondContact O-N 2.8Å; D1845-I1848 WeakPolarHBondContact O-CB 3.4Å; D1845-I1848 PolarHBondContact O-N 3.01Å; I1848-R1850 PolarHBondContact O-N 2.75Å; I1848-C1851 PolarHBondContact O-N 2.77Å; I1848-W1852 WeakPolarHBondContact O-CB 3.47Å; I1848-W1852 PolarHBondContact O-N 3.27Å; I1848-A1891 HydrophobicContact CG1-CB 4Å
1849D94.8Very high93.3Very high59 Ų5935.2 Ų35.232%0.31619%0.191SC..Hα-helixtrans-58.2-43.6178.6-71.7-38.7000112.9R1277 D1845 C1851 W1852 A1853R1277-D1849 IonicContact CZ-OD1 3.41Å; R1277-D1849 IonicContact CZ-OD2 3.83Å; R1277-D1849 IonicContact NE-OD1 2.73Å; R1277-D1849 PolarHBondContact NE-OD1 2.71Å; R1277-D1849 IonicContact NE-OD2 2.84Å; R1277-D1849 IonicContact NH2-OD1 3.23Å; R1277-D1849 PolarHBondContact NH2-OD1 2.71Å; R1277-D1849 IonicContact NH2-OD2 2.72Å; R1277-D1849 PolarHBondContact NH2-OD2 2.75Å; D1845-D1849 PolarHBondContact O-N 3.41Å; D1849-C1851 VanDerWaalsContact C-N 3.33Å; D1849-C1851 PolarHBondContact O-N 3.48Å; D1849-W1852 PolarHBondContact O-N 2.91Å; D1849-A1853 VanDerWaalsContact O-CB 3.24Å; D1849-A1853 WeakPolarHBondContact O-CB 2.99Å; D1849-A1853 PolarHBondContact O-N 3.45Å
1850R94Very high93.6Very high102 Ų10234.2 Ų34.239%0.38518%0.18SC..Hα-helixtrans-60.6-40.4177.7-78.6-170.3-51.3-81.211.2112.2V1834 E1836 E1846 L1847 I1848 P1854V1834-R1850 VanDerWaalsContact CB-O 3.29Å; V1834-R1850 WeakPolarHBondContact CB-O 3.44Å; V1834-R1850 HydrophobicContact CG1-CB 4.33Å; E1836-R1850 VanDerWaalsContact CD-NE 3.25Å; E1836-R1850 WeakPolarHBondContact OE1-CD 3.5Å; E1836-R1850 IonicContact OE1-NE 3.25Å; E1836-R1850 PolarHBondContact OE1-NE 2.64Å; E1836-R1850 IonicContact OE2-CZ 3.97Å; E1836-R1850 IonicContact OE2-NE 3.77Å; E1836-R1850 PolarHBondContact OE2-NE 2.72Å; E1836-R1850 IonicContact OE2-NH2 2.87Å; E1836-R1850 PolarHBondContact OE2-NH2 3.37Å; E1846-R1850 WeakPolarHBondContact O-CB 3.37Å; E1846-R1850 VanDerWaalsContact O-CG 3.26Å; E1846-R1850 WeakPolarHBondContact O-CG 3.36Å; E1846-R1850 PolarHBondContact O-N 3.09Å; E1846-R1850 PolarHBondContact O-NH1 3.3Å; L1847-R1850 PolarHBondContact O-N 3.32Å; I1848-R1850 PolarHBondContact O-N 2.75Å; R1850-P1854 WeakPolarHBondContact O-CD 3.35Å; R1850-P1854 WeakPolarHBondContact O-CG 3.28Å
1851C94.1Very high94Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-76-41.8177.4-64.40000112.6L1847 I1848 D1849 A1891L1847-C1851 PolarHBondContact O-N 3Å; L1847-C1851 VanDerWaalsContact O-N 3.08Å; L1847-C1851 PolarHBondContact O-SG 3.4Å; L1847-C1851 VanDerWaalsContact O-SG 3.33Å; I1848-C1851 PolarHBondContact O-N 2.77Å; D1849-C1851 VanDerWaalsContact C-N 3.33Å; D1849-C1851 PolarHBondContact O-N 3.48Å; C1851-A1891 HydrophobicContact CB-CB 4.25Å
1852W96.4Very high94.7Very high1 Ų132.3 Ų32.30%0.00416%0.162CC..Hα-helixtrans-70.7-47.9-173.9-168.1-97.6000112.4T1273 G1276 R1277 V1280 I1848 D1849 K1855 V1856 H1857 A1894 A1895 W1898T1273-W1852 PolarHBondContact O-NE1 3.2Å; G1276-W1852 VanDerWaalsContact C-CH2 3.47Å; G1276-W1852 WeakPolarHBondContact O-CH2 3.49Å; R1277-W1852 HydrophobicContact CB-CD2 4.22Å; R1277-W1852 HydrophobicContact CB-CG 4.25Å; R1277-W1852 HydrophobicContact CB-CZ2 4.43Å; R1277-W1852 HydrophobicContact CG-CG 4.42Å; V1280-W1852 HydrophobicContact CG2-CZ3 4.12Å; I1848-W1852 WeakPolarHBondContact O-CB 3.47Å; I1848-W1852 PolarHBondContact O-N 3.27Å; D1849-W1852 PolarHBondContact O-N 2.91Å; W1852-K1855 PolarHBondContact O-N 2.92Å; W1852-V1856 HydrophobicContact CD2-CB 4.07Å; W1852-V1856 HydrophobicContact CD2-CG1 4.48Å; W1852-V1856 HydrophobicContact CD2-CG2 3.72Å; W1852-V1856 HydrophobicContact CE3-CG2 4.03Å; W1852-V1856 HydrophobicContact CG-CB 4.16Å; W1852-V1856 HydrophobicContact CG-CG2 4.2Å; W1852-V1856 HydrophobicContact CH2-CG2 4.27Å; W1852-V1856 HydrophobicContact CZ2-CB 4.31Å; W1852-V1856 HydrophobicContact CZ2-CG1 3.89Å; W1852-V1856 HydrophobicContact CZ2-CG2 3.97Å; W1852-V1856 HydrophobicContact CZ3-CG2 4.29Å; W1852-V1856 WeakPolarHBondContact O-CB 3.4Å; W1852-V1856 PolarHBondContact O-N 3.24Å; W1852-H1857 AromaticContact CD1-CE1 3.8Å; W1852-H1857 AromaticContact CD1-NE2 3.72Å; W1852-H1857 AromaticContact NE1-CE1 3.85Å; W1852-A1894 HydrophobicContact CZ3-CB 4.29Å; W1852-A1895 HydrophobicContact CE3-CB 3.89Å; W1852-W1898 HydrophobicContact CH2-CB 3.96Å; W1852-W1898 AromaticContact CH2-CD1 3.64Å; W1852-W1898 AromaticContact CH2-CG 3.98Å; W1852-W1898 HydrophobicContact CH2-CG 3.98Å; W1852-W1898 AromaticContact CZ2-CD1 3.71Å; W1852-W1898 HydrophobicContact CZ2-CG 4.16Å; W1852-W1898 HydrophobicContact CZ3-CB 4.35Å
1853A95Very high94.9Very high22 Ų2228.1 Ų28.118%0.18214%0.139CC..Iπ-helixtrans-56-52.6-172.700000115.5A1806 D1849 K1855 H1857 G1858A1806-A1853 HydrophobicContact CB-CB 3.89Å; D1849-A1853 VanDerWaalsContact O-CB 3.24Å; D1849-A1853 WeakPolarHBondContact O-CB 2.99Å; D1849-A1853 PolarHBondContact O-N 3.45Å; A1853-K1855 VanDerWaalsContact C-N 3.31Å; A1853-K1855 PolarHBondContact O-N 3.08Å; A1853-H1857 WeakPolarHBondContact O-CB 3.21Å; A1853-H1857 PolarHBondContact O-N 2.84Å; A1853-G1858 PolarHBondContact O-N 3.41Å
1854P94.5Very high95.2Very high3 Ų335.3 Ų35.32%0.01917%0.165CC..Iπ-helixtrans-69-29.2-178.928.4-36.1000112.8H1830 A1832 V1834 R1850H1830-P1854 PolarHBondContact CE1-O 3.01Å; H1830-P1854 PolarHBondContact NE2-O 3.37Å; A1832-P1854 HydrophobicContact CB-CB 4.28Å; V1834-P1854 HydrophobicContact CB-CG 4.27Å; V1834-P1854 HydrophobicContact CG2-CG 4.1Å; R1850-P1854 WeakPolarHBondContact O-CD 3.35Å; R1850-P1854 WeakPolarHBondContact O-CG 3.28Å
1855K95.4Very high95.4Very high5 Ų532.9 Ų32.92%0.02215%0.152CC..Iπ-helixtrans-77.3-70.1177.1-74.9-81.9178.1163.50110.5H1830 W1852 A1853 A1859 F1877 Y1892 A1895 N1896 L1899H1830-K1855 PolarHBondContact NE2-O 3.11Å; W1852-K1855 PolarHBondContact O-N 2.92Å; A1853-K1855 VanDerWaalsContact C-N 3.31Å; A1853-K1855 PolarHBondContact O-N 3.08Å; K1855-A1859 VanDerWaalsContact O-CB 3.26Å; K1855-A1859 WeakPolarHBondContact O-CB 3.46Å; K1855-A1859 PolarHBondContact O-N 2.98Å; K1855-F1877 PolarHBondContact NZ-O 3.06Å; K1855-Y1892 PolarHBondContact NZ-OH 3.03Å; K1855-A1895 HydrophobicContact CB-CB 4.03Å; K1855-A1895 HydrophobicContact CG-CB 4.27Å; K1855-N1896 WeakPolarHBondContact CE-OD1 3.42Å; K1855-N1896 PolarHBondContact NZ-OD1 3.31Å; K1855-L1899 HydrophobicContact CB-CD1 4.47Å; K1855-L1899 HydrophobicContact CD-CD1 3.59Å; K1855-L1899 HydrophobicContact CD-CG 4.48Å
1856V97.5Very high95.6Very high0 Ų029.5 Ų29.50%013%0.133CC..Iπ-helixtrans-77.9-58.9-167.2174.60000112.1T1273 W1852 G1858 A1859 W1860 A1895 W1898T1273-V1856 HydrophobicContact CG2-CG1 3.76Å; W1852-V1856 HydrophobicContact CD2-CB 4.07Å; W1852-V1856 HydrophobicContact CD2-CG1 4.48Å; W1852-V1856 HydrophobicContact CD2-CG2 3.72Å; W1852-V1856 HydrophobicContact CE3-CG2 4.03Å; W1852-V1856 HydrophobicContact CG-CB 4.16Å; W1852-V1856 HydrophobicContact CG-CG2 4.2Å; W1852-V1856 HydrophobicContact CH2-CG2 4.27Å; W1852-V1856 HydrophobicContact CZ2-CB 4.31Å; W1852-V1856 HydrophobicContact CZ2-CG1 3.89Å; W1852-V1856 HydrophobicContact CZ2-CG2 3.97Å; W1852-V1856 HydrophobicContact CZ3-CG2 4.29Å; W1852-V1856 WeakPolarHBondContact O-CB 3.4Å; W1852-V1856 PolarHBondContact O-N 3.24Å; V1856-G1858 VanDerWaalsContact C-N 3.25Å; V1856-G1858 PolarHBondContact O-N 3.37Å; V1856-A1859 PolarHBondContact O-N 3.28Å; V1856-W1860 WeakPolarHBondContact O-CB 3.43Å; V1856-W1860 PolarHBondContact O-N 2.92Å; V1856-A1895 HydrophobicContact CG2-CB 4.35Å; V1856-W1898 HydrophobicContact CB-CD2 4.2Å; V1856-W1898 HydrophobicContact CB-CE3 4.11Å; V1856-W1898 HydrophobicContact CG1-CD2 3.51Å; V1856-W1898 HydrophobicContact CG1-CE3 3.71Å; V1856-W1898 HydrophobicContact CG1-CG 4.08Å; V1856-W1898 HydrophobicContact CG1-CH2 4.04Å; V1856-W1898 HydrophobicContact CG1-CZ2 3.85Å; V1856-W1898 HydrophobicContact CG1-CZ3 3.96Å; V1856-W1898 HydrophobicContact CG2-CB 3.85Å; V1856-W1898 HydrophobicContact CG2-CD2 3.8Å; V1856-W1898 HydrophobicContact CG2-CE3 3.81Å; V1856-W1898 HydrophobicContact CG2-CG 3.81Å
1857H96Very high95.3Very high39 Ų3927.2 Ų27.218%0.18113%0.134CC..Iπ-helixtrans-62.7-37.1177.3-55.3-40.3000111T1273 A1806 W1852 A1853 W1860 N1861T1273-H1857 PolarHBondContact O-CE1 3.45Å; T1273-H1857 PolarHBondContact OG1-ND1 3.03Å; A1806-H1857 HydrophobicContact CB-CB 4.34Å; W1852-H1857 AromaticContact CD1-CE1 3.8Å; W1852-H1857 AromaticContact CD1-NE2 3.72Å; W1852-H1857 AromaticContact NE1-CE1 3.85Å; A1853-H1857 WeakPolarHBondContact O-CB 3.21Å; A1853-H1857 PolarHBondContact O-N 2.84Å; H1857-W1860 PolarHBondContact O-N 2.88Å; H1857-N1861 VanDerWaalsContact O-CB 3.28Å; H1857-N1861 WeakPolarHBondContact O-CB 3.29Å; H1857-N1861 PolarHBondContact O-N 2.69Å; H1857-N1861 PolarHBondContact O-ND2 2.87Å
1858G96.6Very high95Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-56.1-51.2172.100000114.2A1853 V1856 W1860 I1862A1853-G1858 PolarHBondContact O-N 3.41Å; V1856-G1858 VanDerWaalsContact C-N 3.25Å; V1856-G1858 PolarHBondContact O-N 3.37Å; G1858-W1860 VanDerWaalsContact C-N 3.34Å; G1858-W1860 PolarHBondContact O-N 3.28Å; G1858-I1862 PolarHBondContact O-N 3.38Å; G1858-I1862 VanDerWaalsContact O-N 3.09Å
1859A97.1Very high94.9Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-63.1-41177.500000111.8H1830 K1855 V1856 H1863 L1876 W1898 L1899 F1902H1830-A1859 PolarHBondContact CE1-N 3.43Å; H1830-A1859 PolarHBondContact NE2-N 3.49Å; K1855-A1859 VanDerWaalsContact O-CB 3.26Å; K1855-A1859 WeakPolarHBondContact O-CB 3.46Å; K1855-A1859 PolarHBondContact O-N 2.98Å; V1856-A1859 PolarHBondContact O-N 3.28Å; A1859-H1863 VanDerWaalsContact O-CB 3.27Å; A1859-H1863 WeakPolarHBondContact O-CB 3.23Å; A1859-H1863 PolarHBondContact O-N 3.48Å; A1859-L1876 HydrophobicContact CB-CD2 4.07Å; A1859-W1898 HydrophobicContact CB-CZ3 4.43Å; A1859-L1899 HydrophobicContact CB-CD2 3.61Å; A1859-F1902 HydrophobicContact CB-CE1 4.45Å
1860W96.5Very high94.8Very high47 Ų4733.6 Ų33.618%0.17818%0.184CC..Hα-helixtrans-66.6-44178.9-171.4-115.7000113L1272 T1273 V1856 H1857 G1858 H1863 R1864 W1898 F1902 W1905L1272-W1860 HydrophobicContact CD1-CH2 3.46Å; L1272-W1860 VanDerWaalsContact CD1-CH2 3.46Å; L1272-W1860 HydrophobicContact CD1-CZ2 3.92Å; L1272-W1860 HydrophobicContact CD1-CZ3 4.09Å; T1273-W1860 HydrophobicContact CG2-CB 3.8Å; T1273-W1860 HydrophobicContact CG2-CD2 4.09Å; T1273-W1860 HydrophobicContact CG2-CG 3.69Å; V1856-W1860 WeakPolarHBondContact O-CB 3.43Å; V1856-W1860 PolarHBondContact O-N 2.92Å; H1857-W1860 PolarHBondContact O-N 2.88Å; G1858-W1860 VanDerWaalsContact C-N 3.34Å; G1858-W1860 PolarHBondContact O-N 3.28Å; W1860-H1863 AromaticContact CE3-CD2 3.73Å; W1860-H1863 AromaticContact CZ3-CD2 3.61Å; W1860-H1863 WeakPolarHBondContact O-CB 3.27Å; W1860-H1863 PolarHBondContact O-N 3.05Å; W1860-R1864 WeakPolarHBondContact O-CG 3.32Å; W1860-R1864 PolarHBondContact O-N 3.07Å; W1860-W1898 HydrophobicContact CE3-CH2 4.26Å; W1860-F1902 HydrophobicContact CE3-CE2 4Å; W1860-F1902 HydrophobicContact CZ3-CE2 4.11Å; W1860-W1905 AromaticContact CH2-CH2 3.63Å; W1860-W1905 HydrophobicContact CH2-CH2 3.63Å; W1860-W1905 HydrophobicContact CH2-CZ2 4.16Å; W1860-W1905 HydrophobicContact CH2-CZ3 4.37Å; W1860-W1905 AromaticContact CZ3-CH2 3.46Å; W1860-W1905 HydrophobicContact CZ3-CH2 3.46Å; W1860-W1905 VanDerWaalsContact CZ3-CH2 3.46Å; W1860-W1905 HydrophobicContact CZ3-CZ2 4.19Å; W1860-W1905 AromaticContact CZ3-CZ3 3.75Å; W1860-W1905 HydrophobicContact CZ3-CZ3 3.75Å
1861N97.1Very high94.8Very high18 Ų1829.8 Ų29.810%0.09617%0.171CC..Hα-helixtrans-62.7-44.9176.5-72.7-22.7000111.4I1805 A1806 A1808 A1811 H1857 R1864 A1865I1805-N1861 PolarHBondContact O-ND2 3.15Å; A1806-N1861 PolarHBondContact O-ND2 3.28Å; A1808-N1861 PolarHBondContact N-ND2 2.55Å; A1811-N1861 HydrophobicContact CB-CB 3.81Å; H1857-N1861 VanDerWaalsContact O-CB 3.28Å; H1857-N1861 WeakPolarHBondContact O-CB 3.29Å; H1857-N1861 PolarHBondContact O-N 2.69Å; H1857-N1861 PolarHBondContact O-ND2 2.87Å; N1861-R1864 PolarHBondContact O-N 3.1Å; N1861-A1865 WeakPolarHBondContact O-CB 3.41Å; N1861-A1865 PolarHBondContact O-N 3.44Å
1862I96.9Very high94.7Very high1 Ų131.7 Ų31.71%0.00518%0.18CC..Hα-helixtrans-67.4-38.2175-71.6-170.5000111.6T1750 I1805 A1811 V1828 G1858 R1864 A1865 T1866 F1874T1750-I1862 HydrophobicContact CG2-CD1 3.14Å; I1805-I1862 HydrophobicContact CD1-CD1 3.71Å; I1805-I1862 HydrophobicContact CD1-CG1 3.7Å; I1805-I1862 HydrophobicContact CG1-CD1 3.72Å; I1805-I1862 HydrophobicContact CG1-CG1 3.8Å; A1811-I1862 HydrophobicContact CB-CG1 3.99Å; V1828-I1862 HydrophobicContact CG1-CG2 3.74Å; V1828-I1862 HydrophobicContact CG2-CG2 4.46Å; G1858-I1862 PolarHBondContact O-N 3.38Å; G1858-I1862 VanDerWaalsContact O-N 3.09Å; I1862-R1864 VanDerWaalsContact C-N 3.31Å; I1862-R1864 PolarHBondContact O-N 3.35Å; I1862-A1865 PolarHBondContact O-N 3.22Å; I1862-T1866 HydrophobicContact CG2-CG2 3.92Å; I1862-T1866 WeakPolarHBondContact O-CB 3.3Å; I1862-T1866 WeakPolarHBondContact O-CG2 3.35Å; I1862-T1866 PolarHBondContact O-N 2.87Å; I1862-T1866 PolarHBondContact O-OG1 3.45Å; I1862-F1874 HydrophobicContact CB-CZ 4.43Å; I1862-F1874 HydrophobicContact CG2-CE2 3.76Å; I1862-F1874 HydrophobicContact CG2-CZ 3.79Å
1863H96Very high94.6Very high19 Ų1932 Ų329%0.08818%0.181CC..Hα-helixtrans-55-47.8173.4164.757000111.7A1859 W1860 T1866 A1867 F1902 W1905 R1906A1859-H1863 VanDerWaalsContact O-CB 3.27Å; A1859-H1863 WeakPolarHBondContact O-CB 3.23Å; A1859-H1863 PolarHBondContact O-N 3.48Å; W1860-H1863 AromaticContact CE3-CD2 3.73Å; W1860-H1863 AromaticContact CZ3-CD2 3.61Å; W1860-H1863 WeakPolarHBondContact O-CB 3.27Å; W1860-H1863 PolarHBondContact O-N 3.05Å; H1863-T1866 PolarHBondContact O-N 3.17Å; H1863-A1867 PolarHBondContact O-N 2.8Å; H1863-A1867 VanDerWaalsContact O-N 3.08Å; H1863-F1902 HydrophobicContact CB-CZ 3.77Å; H1863-F1902 AromaticContact CG-CZ 3.84Å; H1863-W1905 AromaticContact NE2-CH2 3.75Å; H1863-W1905 AromaticContact NE2-CZ3 3.65Å; H1863-R1906 PolarHBondContact ND1-NH1 3.43Å
1864R95.3Very high94.7Very high158 Ų15831 Ų3160%0.59617%0.173SC*.Hα-helixtrans-67.4-42.6176.6-65.7179.869.7-155.31.8112.6W1860 N1861 I1862 T1866 A1867W1860-R1864 WeakPolarHBondContact O-CG 3.32Å; W1860-R1864 PolarHBondContact O-N 3.07Å; N1861-R1864 PolarHBondContact O-N 3.1Å; I1862-R1864 VanDerWaalsContact C-N 3.31Å; I1862-R1864 PolarHBondContact O-N 3.35Å; R1864-T1866 VanDerWaalsContact C-N 3.31Å; R1864-T1866 PolarHBondContact O-N 3.24Å; R1864-A1867 WeakPolarHBondContact O-CB 3.27Å; R1864-A1867 PolarHBondContact O-N 2.86Å
1865A95.8Very high94.8Very high12 Ų1230.9 Ų30.910%0.09917%0.172CC..Hα-helixtrans-68.8-26.1178.900000113.5A1811 V1815 N1861 I1862A1811-A1865 HydrophobicContact CB-CB 3.9Å; V1815-A1865 HydrophobicContact CG2-CB 3.93Å; N1861-A1865 WeakPolarHBondContact O-CB 3.41Å; N1861-A1865 PolarHBondContact O-N 3.44Å; I1862-A1865 PolarHBondContact O-N 3.22Å
1866T95.7Very high95Very high1 Ų130.6 Ų30.61%0.00617%0.171CC..THydrogen-bonded Turntrans-1002.6178.359.10000114.1L1748 V1815 V1828 I1862 H1863 R1864 A1868 Q1869L1748-T1866 HydrophobicContact CD1-CG2 3.95Å; V1815-T1866 HydrophobicContact CG2-CG2 3.82Å; V1828-T1866 HydrophobicContact CG2-CG2 4.13Å; I1862-T1866 HydrophobicContact CG2-CG2 3.92Å; I1862-T1866 WeakPolarHBondContact O-CB 3.3Å; I1862-T1866 WeakPolarHBondContact O-CG2 3.35Å; I1862-T1866 PolarHBondContact O-N 2.87Å; I1862-T1866 PolarHBondContact O-OG1 3.45Å; H1863-T1866 PolarHBondContact O-N 3.17Å; R1864-T1866 VanDerWaalsContact C-N 3.31Å; R1864-T1866 PolarHBondContact O-N 3.24Å; T1866-A1868 PolarHBondContact O-N 3.02Å; T1866-A1868 VanDerWaalsContact O-N 3.08Å; T1866-Q1869 WeakPolarHBondContact O-CB 3.45Å; T1866-Q1869 PolarHBondContact O-N 2.88Å
1867A88.9Confident94.9Very high67 Ų6731.2 Ų31.255%0.55417%0.173SC*.THydrogen-bonded Turntrans-59.4-24.6-176.800000114.2H1863 R1864H1863-A1867 PolarHBondContact O-N 2.8Å; H1863-A1867 VanDerWaalsContact O-N 3.08Å; R1864-A1867 WeakPolarHBondContact O-CB 3.27Å; R1864-A1867 PolarHBondContact O-N 2.86Å
1868A86.3Confident94.9Very high96 Ų9629.6 Ų29.679%0.79317%0.166SC*.THydrogen-bonded Turntrans-99.412.417600000114T1866T1866-A1868 PolarHBondContact O-N 3.02Å; T1866-A1868 VanDerWaalsContact O-N 3.08Å
1869Q94.1Very high94.7Very high49 Ų4930.4 Ų30.423%0.22917%0.172CC..SBendtrans-106.4138.3-177.9-64.8-64.1-50.700111.9V1815 V1825 T1866 L1871V1815-Q1869 HydrophobicContact CG1-CG 4.4Å; V1825-Q1869 HydrophobicContact CB-CB 3.99Å; V1825-Q1869 HydrophobicContact CB-CG 3.95Å; V1825-Q1869 HydrophobicContact CG2-CG 4.03Å; T1866-Q1869 WeakPolarHBondContact O-CB 3.45Å; T1866-Q1869 PolarHBondContact O-N 2.88Å; Q1869-L1871 VanDerWaalsContact C-N 3.25Å; Q1869-L1871 HydrophobicContact CB-CD2 4.37Å; Q1869-L1871 HydrophobicContact CB-CG 4.45Å; Q1869-L1871 PolarHBondContact O-N 3.02Å
1870P92.6Very high94.4Very high65 Ų6531 Ų3142%0.42218%0.177SC..  trans-83.267.1-17536.5-37.5000111.6P1824 R1826P1824-P1870 HydrophobicContact CB-CG 3.71Å; P1824-P1870 HydrophobicContact CG-CG 4.42Å; R1826-P1870 VanDerWaalsContact CD-O 3.31Å; R1826-P1870 WeakPolarHBondContact CD-O 3.43Å; R1826-P1870 PolarHBondContact NH1-O 2.98Å
1871L93.9Very high94Very high23 Ų2328.9 Ų28.912%0.1217%0.169CC..  trans-65.6138.5-178.8-60.4-179.4000112.5V1825 R1826 V1828 Q1869 F1874 P1912V1825-L1871 HydrophobicContact CB-CD2 4.14Å; V1825-L1871 HydrophobicContact CG1-CD2 3.67Å; R1826-L1871 CarbonylContact O-C 3.59Å; R1826-L1871 WeakPolarHBondContact O-CA 3.49Å; V1828-L1871 HydrophobicContact CG2-CD1 4.07Å; V1828-L1871 HydrophobicContact CG2-CD2 3.92Å; Q1869-L1871 VanDerWaalsContact C-N 3.25Å; Q1869-L1871 HydrophobicContact CB-CD2 4.37Å; Q1869-L1871 HydrophobicContact CB-CG 4.45Å; Q1869-L1871 PolarHBondContact O-N 3.02Å; L1871-F1874 HydrophobicContact CD1-CD2 3.73Å; L1871-P1912 HydrophobicContact CB-CG 3.9Å
1872E90.5Very high93.8Very high39 Ų3928 Ų2818%0.18217%0.165CC..SBendtrans-94.9-23170.2-57.6-171.8111.300111.9R1742 R1826R1742-E1872 IonicContact CZ-OE1 3.67Å; R1742-E1872 IonicContact CZ-OE2 3.26Å; R1742-E1872 IonicContact NE-OE1 3.73Å; R1742-E1872 PolarHBondContact NE-OE1 3.49Å; R1742-E1872 IonicContact NE-OE2 2.75Å; R1742-E1872 PolarHBondContact NE-OE2 3.38Å; R1742-E1872 IonicContact NH2-OE1 3.15Å; R1742-E1872 PolarHBondContact NH2-OE1 3.45Å; R1826-E1872 PolarHBondContact O-N 3.36Å
1873W95Very high93.5Very high8 Ų828 Ų283%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-157.2157.4174.254-92.1000113.3T1740 Y1747 L1764 R1826 V1828 L1829 C1875 F1947 L1951T1740-W1873 PolarHBondContact O-NE1 3.43Å; Y1747-W1873 HydrophobicContact CD1-CH2 4.19Å; Y1747-W1873 AromaticContact CD1-CZ2 3.52Å; Y1747-W1873 HydrophobicContact CD1-CZ2 3.52Å; Y1747-W1873 AromaticContact CE1-CE2 3.97Å; Y1747-W1873 AromaticContact CE1-CZ2 3.7Å; Y1747-W1873 HydrophobicContact CE1-CZ2 3.7Å; Y1747-W1873 AromaticContact CE1-NE1 3.85Å; L1764-W1873 HydrophobicContact CD1-CH2 4.28Å; L1764-W1873 HydrophobicContact CD2-CH2 4.13Å; L1764-W1873 HydrophobicContact CD2-CZ2 3.88Å; R1826-W1873 PolarHBondContact O-N 2.85Å; V1828-W1873 VanDerWaalsContact C-CZ3 3.44Å; V1828-W1873 PolarHBondContact N-O 3.35Å; V1828-W1873 WeakPolarHBondContact O-CZ3 3.32Å; L1829-W1873 HydrophobicContact CB-CH2 4.45Å; L1829-W1873 HydrophobicContact CB-CZ3 4.16Å; W1873-C1875 HydrophobicContact CE3-CB 4.03Å; W1873-C1875 HydrophobicContact CZ3-CB 4.05Å; W1873-F1947 HydrophobicContact CH2-CZ 4.09Å; W1873-F1947 HydrophobicContact CZ3-CZ 4.28Å; W1873-L1951 HydrophobicContact CB-CD2 3.8Å; W1873-L1951 HydrophobicContact CD2-CD1 3.85Å; W1873-L1951 HydrophobicContact CD2-CD2 3.91Å; W1873-L1951 HydrophobicContact CE3-CD1 4.1Å; W1873-L1951 HydrophobicContact CE3-CD2 3.93Å; W1873-L1951 HydrophobicContact CG-CD1 4.27Å; W1873-L1951 HydrophobicContact CG-CD2 3.89Å; W1873-L1951 HydrophobicContact CH2-CD1 4.41Å; W1873-L1951 HydrophobicContact CZ2-CD1 4.17Å; W1873-L1951 HydrophobicContact CZ3-CD1 4.36Å
1874F97Very high93.1Very high1 Ų127.7 Ų27.70%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-141.297.3173.1-166.5-67.3000107.8V1828 I1862 L1871 L1876 F1902 R1906 P1912 A1913 T1914V1828-F1874 HydrophobicContact CB-CD2 3.67Å; V1828-F1874 HydrophobicContact CB-CE2 3.94Å; V1828-F1874 HydrophobicContact CB-CG 3.99Å; V1828-F1874 HydrophobicContact CB-CZ 4.47Å; V1828-F1874 HydrophobicContact CG1-CD1 4.39Å; V1828-F1874 HydrophobicContact CG1-CD2 3.94Å; V1828-F1874 HydrophobicContact CG1-CE1 4.15Å; V1828-F1874 HydrophobicContact CG1-CE2 3.7Å; V1828-F1874 HydrophobicContact CG1-CG 4.28Å; V1828-F1874 HydrophobicContact CG1-CZ 3.82Å; V1828-F1874 HydrophobicContact CG2-CD2 3.84Å; V1828-F1874 HydrophobicContact CG2-CE2 4.02Å; V1828-F1874 CarbonylContact O-C 3.54Å; I1862-F1874 HydrophobicContact CB-CZ 4.43Å; I1862-F1874 HydrophobicContact CG2-CE2 3.76Å; I1862-F1874 HydrophobicContact CG2-CZ 3.79Å; L1871-F1874 HydrophobicContact CD1-CD2 3.73Å; F1874-L1876 HydrophobicContact CD1-CD2 4.21Å; F1874-L1876 HydrophobicContact CD1-CG 4.16Å; F1874-L1876 HydrophobicContact CE1-CD2 3.75Å; F1874-L1876 HydrophobicContact CE1-CG 4.21Å; F1874-F1902 HydrophobicContact CE1-CE1 4.39Å; F1874-R1906 VanDerWaalsContact CD2-CZ 3.42Å; F1874-R1906 VanDerWaalsContact CD2-NH1 3.28Å; F1874-P1912 VanDerWaalsContact CB-O 3.32Å; F1874-P1912 WeakPolarHBondContact CB-O 3.19Å; F1874-A1913 CarbonylContact O-C 3.36Å; F1874-A1913 VanDerWaalsContact O-CA 3.29Å; F1874-A1913 WeakPolarHBondContact O-CA 3.43Å; F1874-T1914 PolarHBondContact O-N 3.33Å
1875C97.6Very high92.7Very high0 Ų020.1 Ų20.10%014%0.136CC..EExtended strand (participates in β ladder)trans-88.4127.4-177.8-163.50000110.7V1828 L1829 H1830 W1873 T1914 F1947 L1951V1828-C1875 PolarHBondContact O-N 2.99Å; L1829-C1875 HydrophobicContact CD1-CB 4.16Å; H1830-C1875 PolarHBondContact N-O 3.1Å; W1873-C1875 HydrophobicContact CE3-CB 4.03Å; W1873-C1875 HydrophobicContact CZ3-CB 4.05Å; C1875-T1914 CarbonylContact C-O 3.59Å; C1875-T1914 WeakPolarHBondContact CA-O 3.47Å; C1875-F1947 HydrophobicContact CB-CE2 4Å; C1875-L1951 HydrophobicContact CB-CD2 4.27Å
1876L98.2Very high92.3Very high0 Ų021.1 Ų21.10%014%0.142CC..EExtended strand (participates in β ladder)trans-104.5124173.5-63.5153.6000107.8H1830 A1859 F1874 S1878 L1899 F1902 A1903 T1914 S1915 I1916H1830-L1876 HydrophobicContact CB-CD2 4.28Å; A1859-L1876 HydrophobicContact CB-CD2 4.07Å; F1874-L1876 HydrophobicContact CD1-CD2 4.21Å; F1874-L1876 HydrophobicContact CD1-CG 4.16Å; F1874-L1876 HydrophobicContact CE1-CD2 3.75Å; F1874-L1876 HydrophobicContact CE1-CG 4.21Å; L1876-S1878 PolarHBondContact O-N 3.34Å; L1876-L1899 HydrophobicContact CD2-CD2 4.08Å; L1876-F1902 HydrophobicContact CD1-CD1 3.77Å; L1876-F1902 HydrophobicContact CD1-CE1 4.36Å; L1876-F1902 HydrophobicContact CD2-CD1 4.11Å; L1876-F1902 HydrophobicContact CD2-CE1 4.35Å; L1876-A1903 HydrophobicContact CD1-CB 3.93Å; L1876-T1914 PolarHBondContact N-O 2.92Å; L1876-S1915 WeakPolarHBondContact O-CA 3.37Å; L1876-I1916 PolarHBondContact O-N 3.41Å
1877F95Very high91.8Very high12 Ų1224.5 Ų24.55%0.05316%0.164CC..EExtended strand (participates in β ladder)trans-87.596.5171.6-92.8-137.6000108.4L1760 L1829 H1830 A1831 K1855 W1918 W1921 F1947L1760-F1877 HydrophobicContact CD1-CE1 3.59Å; L1760-F1877 HydrophobicContact CD1-CE2 4.25Å; L1760-F1877 HydrophobicContact CD1-CZ 3.28Å; L1829-F1877 HydrophobicContact CD1-CD2 3.4Å; L1829-F1877 VanDerWaalsContact CD1-CD2 3.4Å; L1829-F1877 HydrophobicContact CD1-CE2 3.37Å; L1829-F1877 HydrophobicContact CD1-CG 4.18Å; L1829-F1877 HydrophobicContact CD1-CZ 4.11Å; H1830-F1877 PolarHBondContact O-N 2.94Å; A1831-F1877 HydrophobicContact CB-CB 3.99Å; A1831-F1877 HydrophobicContact CB-CD1 4.18Å; A1831-F1877 HydrophobicContact CB-CG 4.11Å; K1855-F1877 PolarHBondContact NZ-O 3.06Å; F1877-W1918 AromaticContact CD1-CD1 3.61Å; F1877-W1918 AromaticContact CD1-NE1 3.35Å; F1877-W1918 AromaticContact CD2-NE1 3.38Å; F1877-W1918 AromaticContact CE1-CD1 3.81Å; F1877-W1918 AromaticContact CE1-CE2 3.8Å; F1877-W1918 HydrophobicContact CE1-CZ2 4.25Å; F1877-W1918 AromaticContact CE1-NE1 3.2Å; F1877-W1918 AromaticContact CE2-CE2 3.83Å; F1877-W1918 AromaticContact CE2-CZ2 3.87Å; F1877-W1918 HydrophobicContact CE2-CZ2 3.87Å; F1877-W1918 AromaticContact CE2-NE1 3.22Å; F1877-W1918 AromaticContact CG-CD1 3.81Å; F1877-W1918 AromaticContact CG-NE1 3.43Å; F1877-W1918 AromaticContact CZ-CE2 3.5Å; F1877-W1918 VanDerWaalsContact CZ-CE2 3.5Å; F1877-W1918 AromaticContact CZ-CZ2 3.53Å; F1877-W1918 HydrophobicContact CZ-CZ2 3.53Å; F1877-W1918 AromaticContact CZ-NE1 3.12Å; F1877-W1921 HydrophobicContact CE1-CZ2 4.27Å; F1877-W1921 HydrophobicContact CZ-CZ2 4.48Å; F1877-F1947 HydrophobicContact CE2-CD2 4.12Å; F1877-F1947 HydrophobicContact CE2-CE2 4.4Å
1878S96.1Very high91.8Very high5 Ų521.8 Ų21.84%0.03514%0.142CC..EExtended strand (participates in β ladder)trans-84.7-163.2169.7-177.80000109.7L1876 N1896 D1900 S1915 I1916L1876-S1878 PolarHBondContact O-N 3.34Å; S1878-N1896 VanDerWaalsContact CA-OD1 3.28Å; S1878-N1896 WeakPolarHBondContact CA-OD1 3.45Å; S1878-N1896 WeakPolarHBondContact OG-CB 3.45Å; S1878-D1900 WeakPolarHBondContact CB-OD1 3.38Å; S1878-D1900 VanDerWaalsContact OG-CG 3.22Å; S1878-D1900 PolarHBondContact OG-OD1 3.38Å; S1878-D1900 PolarHBondContact OG-OD2 3.49Å; S1878-S1915 WeakPolarHBondContact CB-OG 3.49Å; S1878-I1916 CarbonylContact C-O 3.6Å; S1878-I1916 WeakPolarHBondContact CA-O 3.43Å; S1878-I1916 WeakPolarHBondContact CB-O 3.45Å; S1878-I1916 PolarHBondContact N-O 3.48Å
1879S93.6Very high92.1Very high18 Ų1818.6 Ų18.613%0.12611%0.111CC..EExtended strand (participates in β ladder)trans-147.1145.1176.9-176.40000111.5A1881 A1882 W1918S1879-A1881 PolarHBondContact O-N 2.99Å; S1879-A1881 PolarHBondContact OG-N 2.87Å; S1879-A1882 PolarHBondContact O-N 2.85Å; S1879-W1918 WeakPolarHBondContact CA-O 3.37Å
1880A90.3Very high92Very high13 Ų1316.4 Ų16.411%0.10710%0.102CC..Hα-helixtrans-55-22.9171.100000112.6A1882 L1883 V1884 W1918 A1961A1880-A1882 PolarHBondContact O-N 3.39Å; A1880-L1883 WeakPolarHBondContact O-CA 3.49Å; A1880-L1883 WeakPolarHBondContact O-CB 3.33Å; A1880-L1883 PolarHBondContact O-N 2.96Å; A1880-V1884 WeakPolarHBondContact O-CG2 3.38Å; A1880-V1884 PolarHBondContact O-N 3.36Å; A1880-W1918 WeakPolarHBondContact CB-O 3.47Å; A1880-W1918 PolarHBondContact N-O 2.88Å; A1880-A1961 HydrophobicContact CB-CB 4.22Å
1881A89.1Confident92Very high1 Ų113.5 Ų13.51%0.0088%0.083CC..Hα-helixtrans-53.5-34.3171.200000113.5S1879 G1885 S1886 Q1889 Y1892S1879-A1881 PolarHBondContact O-N 2.99Å; S1879-A1881 PolarHBondContact OG-N 2.87Å; A1881-G1885 WeakPolarHBondContact O-CA 3.21Å; A1881-G1885 PolarHBondContact O-N 3.32Å; A1881-S1886 WeakPolarHBondContact CA-OG 3.45Å; A1881-S1886 PolarHBondContact O-N 3.23Å; A1881-Q1889 HydrophobicContact CB-CB 4.39Å; A1881-Y1892 HydrophobicContact CB-CD1 4.27Å
1882A92.1Very high92.1Very high0 Ų013.6 Ų13.60%08%0.082CC..Hα-helixtrans-77.6-31.7172.300000113R1328 S1879 A1880 A1893 N1896R1328-A1882 WeakPolarHBondContact CD-O 3.42Å; R1328-A1882 PolarHBondContact NH1-O 3.46Å; S1879-A1882 PolarHBondContact O-N 2.85Å; A1880-A1882 PolarHBondContact O-N 3.39Å; A1882-A1893 WeakPolarHBondContact CB-O 3.38Å; A1882-N1896 HydrophobicContact CB-CB 3.69Å
1883L90Very high92.4Very high0 Ų011.7 Ų11.70%07%0.073CC..Hα-helixtrans-70.9-37.4178.6-179.255.7000112.4L1192 I1194 R1328 L1379 A1880 Y1957L1192-L1883 HydrophobicContact CB-CD2 4.06Å; L1192-L1883 HydrophobicContact CD1-CD2 3.86Å; I1194-L1883 HydrophobicContact CD1-CD1 3.81Å; I1194-L1883 HydrophobicContact CG1-CD1 3.62Å; R1328-L1883 WeakPolarHBondContact CD-O 3.19Å; L1379-L1883 HydrophobicContact CD1-CD1 3.86Å; L1379-L1883 HydrophobicContact CD1-CD2 4.05Å; L1379-L1883 HydrophobicContact CD1-CG 4.05Å; A1880-L1883 WeakPolarHBondContact O-CA 3.49Å; A1880-L1883 WeakPolarHBondContact O-CB 3.33Å; A1880-L1883 PolarHBondContact O-N 2.96Å; L1883-Y1957 HydrophobicContact CD1-CE1 4.29Å
1884V87.5Confident92.4Very high13 Ų1311.3 Ų11.38%0.0797%0.072CC..Hα-helixtrans-121.8-3.9-169.9-48.70000115.6A1880 W1968 F1972A1880-V1884 WeakPolarHBondContact O-CG2 3.38Å; A1880-V1884 PolarHBondContact O-N 3.36Å; V1884-W1968 HydrophobicContact CB-CH2 3.48Å; V1884-W1968 VanDerWaalsContact CB-CH2 3.48Å; V1884-W1968 HydrophobicContact CB-CZ2 3.75Å; V1884-W1968 HydrophobicContact CG1-CH2 3.67Å; V1884-W1968 HydrophobicContact CG1-CZ2 4.43Å; V1884-W1968 HydrophobicContact CG1-CZ3 4.44Å; V1884-W1968 HydrophobicContact CG2-CH2 3.67Å; V1884-W1968 HydrophobicContact CG2-CZ2 3.63Å; V1884-F1972 HydrophobicContact CB-CE1 4.07Å; V1884-F1972 HydrophobicContact CG1-CE1 4.25Å
1885G87.7Confident92.5Very high0 Ų011.3 Ų11.30%07%0.072CC..THydrogen-bonded Turntrans73.156.1177.600000114.3R1328 S1332 A1881 P1887R1328-G1885 VanDerWaalsContact C-CA 3.46Å; R1328-G1885 VanDerWaalsContact CB-CA 3.46Å; S1332-G1885 VanDerWaalsContact CB-O 3.23Å; S1332-G1885 WeakPolarHBondContact CB-O 3.43Å; A1881-G1885 WeakPolarHBondContact O-CA 3.21Å; A1881-G1885 PolarHBondContact O-N 3.32Å; G1885-P1887 VanDerWaalsContact O-CD 3.27Å; G1885-P1887 WeakPolarHBondContact O-CD 3.38Å
1886S86.8Confident92.5Very high33 Ų3311.3 Ų11.323%0.2317%0.072CC..  trans-60.8119.6179.9-64.20000112.6V1329 A1881 Q1889V1329-S1886 WeakPolarHBondContact CG2-O 3.49Å; A1881-S1886 WeakPolarHBondContact CA-OG 3.45Å; A1881-S1886 PolarHBondContact O-N 3.23Å; S1886-Q1889 WeakPolarHBondContact O-CB 3.42Å; S1886-Q1889 PolarHBondContact O-N 2.92Å; S1886-Q1889 VanDerWaalsContact O-N 3.09Å
1887P85.8Confident92.4Very high72 Ų7211.8 Ų11.847%0.4688%0.075SC..THydrogen-bonded Turntrans-53.6142.4177.3-3138.8000113.6E1333 G1885 Q1889E1333-P1887 HydrophobicContact CG-CB 3.81Å; E1333-P1887 HydrophobicContact CG-CG 4.49Å; G1885-P1887 VanDerWaalsContact O-CD 3.27Å; G1885-P1887 WeakPolarHBondContact O-CD 3.38Å; P1887-Q1889 PolarHBondContact O-N 2.74Å
1888G88.6Confident92.5Very high10 Ų1011.2 Ų11.210%0.1037%0.072CC..THydrogen-bonded Turntrans77-7.4-174.300000114.3E1333 D1837 A1838E1333-G1888 WeakPolarHBondContact OE1-CA 3.42Å; E1333-G1888 PolarHBondContact OE1-N 2.99Å; D1837-G1888 CarbonylContact C-O 3.57Å; D1837-G1888 VanDerWaalsContact CA-O 3.23Å; D1837-G1888 WeakPolarHBondContact CA-O 3.39Å; A1838-G1888 CarbonylContact C-O 3.59Å; A1838-G1888 PolarHBondContact N-O 2.92Å; A1838-G1888 CarbonylContact O-C 3.58Å
1889Q92.1Very high92.6Very high28 Ų2811 Ų1113%0.1317%0.071CC..  trans-105.517.2-173.6-49.8-147.1-70.800113.7D1837 A1881 S1886 P1887 A1891 Y1892 A1893D1837-Q1889 WeakPolarHBondContact OD1-CG 3.5Å; D1837-Q1889 PolarHBondContact OD1-NE2 2.76Å; A1881-Q1889 HydrophobicContact CB-CB 4.39Å; S1886-Q1889 WeakPolarHBondContact O-CB 3.42Å; S1886-Q1889 PolarHBondContact O-N 2.92Å; S1886-Q1889 VanDerWaalsContact O-N 3.09Å; P1887-Q1889 PolarHBondContact O-N 2.74Å; Q1889-A1891 PolarHBondContact O-N 3.39Å; Q1889-Y1892 CarbonylContact O-C 3.54Å; Q1889-Y1892 WeakPolarHBondContact O-CA 3.35Å; Q1889-Y1892 WeakPolarHBondContact O-CB 3.5Å; Q1889-Y1892 PolarHBondContact O-N 2.73Å; Q1889-A1893 WeakPolarHBondContact O-CB 3.36Å; Q1889-A1893 PolarHBondContact O-N 2.9Å
1890G91.8Very high92.7Very high4 Ų410.8 Ų10.84%0.0417%0.068CC..Hα-helixtrans-48-50.9-168.800000115.2Y1892 A1893 A1894G1890-Y1892 PolarHBondContact O-N 3.14Å; G1890-A1893 PolarHBondContact O-N 3.27Å; G1890-A1894 WeakPolarHBondContact O-CB 3.33Å; G1890-A1894 PolarHBondContact O-N 3.45Å
1891A94.1Very high92.9Very high3 Ų310.8 Ų10.83%0.0257%0.069CC..Hα-helixtrans-66.2-3517800000113.5L1847 I1848 C1851 Q1889 A1895L1847-A1891 HydrophobicContact CD2-CB 3.62Å; I1848-A1891 HydrophobicContact CG1-CB 4Å; C1851-A1891 HydrophobicContact CB-CB 4.25Å; Q1889-A1891 PolarHBondContact O-N 3.39Å; A1891-A1895 PolarHBondContact O-N 2.74Å; A1891-A1895 VanDerWaalsContact O-N 3.17Å
1892Y95.8Very high93.3Very high25 Ų2510.8 Ų10.810%0.0987%0.068CC..Hα-helixtrans-73.9-44.7176.8-177.5-115.5000111A1833 V1834 V1835 K1855 A1881 Q1889 G1890 A1894 A1895 N1896A1833-Y1892 HydrophobicContact CB-CE2 4.43Å; V1834-Y1892 WeakPolarHBondContact O-CD2 3.43Å; V1835-Y1892 HydrophobicContact CG1-CD1 4.11Å; V1835-Y1892 HydrophobicContact CG1-CD2 4.39Å; V1835-Y1892 HydrophobicContact CG1-CE1 4.41Å; V1835-Y1892 HydrophobicContact CG1-CG 4.11Å; V1835-Y1892 HydrophobicContact CG2-CD2 3.97Å; V1835-Y1892 HydrophobicContact CG2-CE1 4.22Å; V1835-Y1892 HydrophobicContact CG2-CE2 3.59Å; V1835-Y1892 HydrophobicContact CG2-CG 4.44Å; K1855-Y1892 PolarHBondContact NZ-OH 3.03Å; A1881-Y1892 HydrophobicContact CB-CD1 4.27Å; Q1889-Y1892 CarbonylContact O-C 3.54Å; Q1889-Y1892 WeakPolarHBondContact O-CA 3.35Å; Q1889-Y1892 WeakPolarHBondContact O-CB 3.5Å; Q1889-Y1892 PolarHBondContact O-N 2.73Å; G1890-Y1892 PolarHBondContact O-N 3.14Å; Y1892-A1894 VanDerWaalsContact C-N 3.29Å; Y1892-A1894 PolarHBondContact O-N 3.07Å; Y1892-A1895 PolarHBondContact O-N 2.86Å; Y1892-N1896 WeakPolarHBondContact CD1-ND2 3.47Å; Y1892-N1896 WeakPolarHBondContact CD2-ND2 3.43Å; Y1892-N1896 VanDerWaalsContact CE1-ND2 3.26Å; Y1892-N1896 WeakPolarHBondContact CE1-ND2 3.42Å; Y1892-N1896 WeakPolarHBondContact CE2-ND2 3.29Å; Y1892-N1896 WeakPolarHBondContact O-CB 3.47Å; Y1892-N1896 PolarHBondContact O-N 3.15Å; Y1892-N1896 PolarHBondContact O-ND2 2.8Å
1893A95.5Very high93.5Very high0 Ų010.8 Ų10.80%07%0.068CC..Hα-helixtrans-57.4-42.2173.900000111.2G1325 V1329 A1882 Q1889 G1890 N1896 S1897G1325-A1893 WeakPolarHBondContact O-CB 3.22Å; V1329-A1893 HydrophobicContact CG2-CB 3.58Å; A1882-A1893 WeakPolarHBondContact CB-O 3.38Å; Q1889-A1893 WeakPolarHBondContact O-CB 3.36Å; Q1889-A1893 PolarHBondContact O-N 2.9Å; G1890-A1893 PolarHBondContact O-N 3.27Å; A1893-N1896 PolarHBondContact O-N 3.38Å; A1893-S1897 WeakPolarHBondContact O-CB 3.34Å; A1893-S1897 PolarHBondContact O-N 3.47Å
1894A96.7Very high93.6Very high0 Ų013.8 Ų13.80%08%0.082CC..Hα-helixtrans-60.8-50.2174.800000113V1280 G1322 L1326 W1852 G1890 Y1892 N1896 S1897 W1898V1280-A1894 HydrophobicContact CG1-CB 3.97Å; V1280-A1894 HydrophobicContact CG2-CB 3.79Å; G1322-A1894 WeakPolarHBondContact CA-O 3.4Å; G1322-A1894 VanDerWaalsContact O-CA 3.24Å; G1322-A1894 WeakPolarHBondContact O-CA 3.41Å; G1322-A1894 WeakPolarHBondContact O-CB 3.26Å; L1326-A1894 HydrophobicContact CB-CB 4.16Å; W1852-A1894 HydrophobicContact CZ3-CB 4.29Å; G1890-A1894 WeakPolarHBondContact O-CB 3.33Å; G1890-A1894 PolarHBondContact O-N 3.45Å; Y1892-A1894 VanDerWaalsContact C-N 3.29Å; Y1892-A1894 PolarHBondContact O-N 3.07Å; A1894-N1896 VanDerWaalsContact C-N 3.25Å; A1894-N1896 PolarHBondContact O-N 2.87Å; A1894-S1897 PolarHBondContact O-N 2.91Å; A1894-W1898 PolarHBondContact O-N 3.25Å; A1894-W1898 VanDerWaalsContact O-N 3.07Å
1895A97.3Very high93.9Very high0 Ų014.5 Ų14.50%08%0.084CC..Hα-helixtrans-62.9-30.4179.500000113.1W1852 K1855 V1856 A1891 Y1892W1852-A1895 HydrophobicContact CE3-CB 3.89Å; K1855-A1895 HydrophobicContact CB-CB 4.03Å; K1855-A1895 HydrophobicContact CG-CB 4.27Å; V1856-A1895 HydrophobicContact CG2-CB 4.35Å; A1891-A1895 PolarHBondContact O-N 2.74Å; A1891-A1895 VanDerWaalsContact O-N 3.17Å; Y1892-A1895 PolarHBondContact O-N 2.86Å
1896N97.8Very high94.2Very high0 Ų014.7 Ų14.70%08%0.084CC..Hα-helixtrans-78.6-41.3175-76-65.8000112.5K1855 S1878 A1882 Y1892 A1893 A1894 W1898 L1899 D1900K1855-N1896 WeakPolarHBondContact CE-OD1 3.42Å; K1855-N1896 PolarHBondContact NZ-OD1 3.31Å; S1878-N1896 VanDerWaalsContact CA-OD1 3.28Å; S1878-N1896 WeakPolarHBondContact CA-OD1 3.45Å; S1878-N1896 WeakPolarHBondContact OG-CB 3.45Å; A1882-N1896 HydrophobicContact CB-CB 3.69Å; Y1892-N1896 WeakPolarHBondContact CD1-ND2 3.47Å; Y1892-N1896 WeakPolarHBondContact CD2-ND2 3.43Å; Y1892-N1896 VanDerWaalsContact CE1-ND2 3.26Å; Y1892-N1896 WeakPolarHBondContact CE1-ND2 3.42Å; Y1892-N1896 WeakPolarHBondContact CE2-ND2 3.29Å; Y1892-N1896 WeakPolarHBondContact O-CB 3.47Å; Y1892-N1896 PolarHBondContact O-N 3.15Å; Y1892-N1896 PolarHBondContact O-ND2 2.8Å; A1893-N1896 PolarHBondContact O-N 3.38Å; A1894-N1896 VanDerWaalsContact C-N 3.25Å; A1894-N1896 PolarHBondContact O-N 2.87Å; N1896-W1898 PolarHBondContact O-N 3.12Å; N1896-L1899 WeakPolarHBondContact O-CA 3.43Å; N1896-L1899 WeakPolarHBondContact O-CB 3.44Å; N1896-L1899 PolarHBondContact O-N 2.64Å; N1896-D1900 PolarHBondContact O-N 3.19Å
1897S96.9Very high94.4Very high10 Ų1016.8 Ų16.87%0.079%0.087CC..Hα-helixtrans-57.2-36.2173.7-173.50000112.1A1321 G1325 A1893 A1894 D1900 A1901A1321-S1897 WeakPolarHBondContact O-CB 3.46Å; A1321-S1897 PolarHBondContact O-OG 2.78Å; G1325-S1897 PolarHBondContact N-OG 2.77Å; G1325-S1897 VanDerWaalsContact N-OG 3.1Å; A1893-S1897 WeakPolarHBondContact O-CB 3.34Å; A1893-S1897 PolarHBondContact O-N 3.47Å; A1894-S1897 PolarHBondContact O-N 2.91Å; S1897-D1900 PolarHBondContact O-N 3.46Å; S1897-A1901 PolarHBondContact O-N 2.94Å; S1897-A1901 VanDerWaalsContact O-N 3.15Å
1898W97.4Very high94.6Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-62.9-42.6170.6-169.2101.7000112.4L1272 T1273 L1318 W1852 V1856 A1859 W1860 A1894 N1896 D1900 F1902L1272-W1898 PolarHBondContact O-NE1 3.3Å; T1273-W1898 HydrophobicContact CG2-CH2 4.09Å; T1273-W1898 HydrophobicContact CG2-CZ2 3.66Å; L1318-W1898 HydrophobicContact CB-CZ2 4.08Å; L1318-W1898 HydrophobicContact CD1-CH2 4.29Å; L1318-W1898 HydrophobicContact CD1-CZ2 3.87Å; L1318-W1898 HydrophobicContact CG-CZ2 4.46Å; L1318-W1898 PolarHBondContact O-NE1 3.37Å; W1852-W1898 HydrophobicContact CH2-CB 3.96Å; W1852-W1898 AromaticContact CH2-CD1 3.64Å; W1852-W1898 AromaticContact CH2-CG 3.98Å; W1852-W1898 HydrophobicContact CH2-CG 3.98Å; W1852-W1898 AromaticContact CZ2-CD1 3.71Å; W1852-W1898 HydrophobicContact CZ2-CG 4.16Å; W1852-W1898 HydrophobicContact CZ3-CB 4.35Å; V1856-W1898 HydrophobicContact CB-CD2 4.2Å; V1856-W1898 HydrophobicContact CB-CE3 4.11Å; V1856-W1898 HydrophobicContact CG1-CD2 3.51Å; V1856-W1898 HydrophobicContact CG1-CE3 3.71Å; V1856-W1898 HydrophobicContact CG1-CG 4.08Å; V1856-W1898 HydrophobicContact CG1-CH2 4.04Å; V1856-W1898 HydrophobicContact CG1-CZ2 3.85Å; V1856-W1898 HydrophobicContact CG1-CZ3 3.96Å; V1856-W1898 HydrophobicContact CG2-CB 3.85Å; V1856-W1898 HydrophobicContact CG2-CD2 3.8Å; V1856-W1898 HydrophobicContact CG2-CE3 3.81Å; V1856-W1898 HydrophobicContact CG2-CG 3.81Å; A1859-W1898 HydrophobicContact CB-CZ3 4.43Å; W1860-W1898 HydrophobicContact CE3-CH2 4.26Å; A1894-W1898 PolarHBondContact O-N 3.25Å; A1894-W1898 VanDerWaalsContact O-N 3.07Å; N1896-W1898 PolarHBondContact O-N 3.12Å; W1898-D1900 VanDerWaalsContact C-N 3.31Å; W1898-D1900 PolarHBondContact O-N 3.22Å; W1898-F1902 HydrophobicContact CE3-CB 3.84Å; W1898-F1902 HydrophobicContact CE3-CG 4.35Å; W1898-F1902 HydrophobicContact CH2-CB 4.08Å; W1898-F1902 AromaticContact CH2-CD2 3.63Å; W1898-F1902 HydrophobicContact CH2-CD2 3.63Å; W1898-F1902 HydrophobicContact CH2-CE2 4.3Å; W1898-F1902 AromaticContact CH2-CG 3.88Å; W1898-F1902 HydrophobicContact CH2-CG 3.88Å; W1898-F1902 HydrophobicContact CZ3-CB 3.55Å; W1898-F1902 HydrophobicContact CZ3-CD1 4.15Å; W1898-F1902 AromaticContact CZ3-CD2 3.84Å; W1898-F1902 HydrophobicContact CZ3-CD2 3.84Å; W1898-F1902 AromaticContact CZ3-CG 3.56Å; W1898-F1902 HydrophobicContact CZ3-CG 3.56Å; W1898-F1902 VanDerWaalsContact O-CB 3.22Å; W1898-F1902 WeakPolarHBondContact O-CB 3.41Å; W1898-F1902 PolarHBondContact O-N 2.88Å
1899L97.6Very high94.6Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-63.7-37.1176-64.5-171.5000112.1K1855 A1859 L1876 N1896 F1902 A1903K1855-L1899 HydrophobicContact CB-CD1 4.47Å; K1855-L1899 HydrophobicContact CD-CD1 3.59Å; K1855-L1899 HydrophobicContact CD-CG 4.48Å; A1859-L1899 HydrophobicContact CB-CD2 3.61Å; L1876-L1899 HydrophobicContact CD2-CD2 4.08Å; N1896-L1899 WeakPolarHBondContact O-CA 3.43Å; N1896-L1899 WeakPolarHBondContact O-CB 3.44Å; N1896-L1899 PolarHBondContact O-N 2.64Å; L1899-F1902 WeakPolarHBondContact O-CB 3.33Å; L1899-F1902 PolarHBondContact O-N 3.21Å; L1899-A1903 PolarHBondContact O-N 3.3Å
1900D96.4Very high94.4Very high14 Ų1423.2 Ų23.28%0.07514%0.139CC..Hα-helixtrans-65-48.5-179.7-64.4-27.6000110.8S1878 N1896 S1897 W1898 F1902 A1903 H1904 S1915 Y1957S1878-D1900 WeakPolarHBondContact CB-OD1 3.38Å; S1878-D1900 VanDerWaalsContact OG-CG 3.22Å; S1878-D1900 PolarHBondContact OG-OD1 3.38Å; S1878-D1900 PolarHBondContact OG-OD2 3.49Å; N1896-D1900 PolarHBondContact O-N 3.19Å; S1897-D1900 PolarHBondContact O-N 3.46Å; W1898-D1900 VanDerWaalsContact C-N 3.31Å; W1898-D1900 PolarHBondContact O-N 3.22Å; D1900-F1902 VanDerWaalsContact C-N 3.34Å; D1900-F1902 PolarHBondContact O-N 2.93Å; D1900-A1903 WeakPolarHBondContact O-CB 3.36Å; D1900-A1903 PolarHBondContact O-N 2.91Å; D1900-H1904 PolarHBondContact O-CD2 3.3Å; D1900-S1915 VanDerWaalsContact OD1-CB 3.3Å; D1900-S1915 WeakPolarHBondContact OD1-CB 3.48Å; D1900-S1915 PolarHBondContact OD1-OG 3Å; D1900-Y1957 HydrophobicContact CB-CD2 3.88Å; D1900-Y1957 HydrophobicContact CB-CE2 3.79Å; D1900-Y1957 VanDerWaalsContact OD1-CE2 3.27Å; D1900-Y1957 WeakPolarHBondContact OD1-CE2 3.43Å; D1900-Y1957 WeakPolarHBondContact OD2-CE2 3.42Å
1901A94.9Very high94.4Very high14 Ų1425.9 Ų25.912%0.11615%0.151CC..Hα-helixtrans-64.5-35.7171.700000113A1316 L1318 A1321 S1897 A1903 H1904 W1905A1316-A1901 HydrophobicContact CB-CB 4.11Å; L1318-A1901 HydrophobicContact CD2-CB 4.01Å; A1321-A1901 HydrophobicContact CB-CB 3.29Å; S1897-A1901 PolarHBondContact O-N 2.94Å; S1897-A1901 VanDerWaalsContact O-N 3.15Å; A1901-A1903 PolarHBondContact O-N 3.05Å; A1901-H1904 PolarHBondContact O-N 2.75Å; A1901-H1904 VanDerWaalsContact O-N 3.08Å; A1901-W1905 PolarHBondContact O-N 2.72Å
1902F96.4Very high94.3Very high0 Ų027.6 Ų27.60%016%0.162CC..Hα-helixtrans-61.3-30.9175.7176.6-106.3000112.4L1318 A1859 W1860 H1863 F1874 L1876 W1898 L1899 D1900 W1905 R1906L1318-F1902 HydrophobicContact CD1-CD2 3.86Å; L1318-F1902 HydrophobicContact CD2-CB 4.19Å; A1859-F1902 HydrophobicContact CB-CE1 4.45Å; W1860-F1902 HydrophobicContact CE3-CE2 4Å; W1860-F1902 HydrophobicContact CZ3-CE2 4.11Å; H1863-F1902 HydrophobicContact CB-CZ 3.77Å; H1863-F1902 AromaticContact CG-CZ 3.84Å; F1874-F1902 HydrophobicContact CE1-CE1 4.39Å; L1876-F1902 HydrophobicContact CD1-CD1 3.77Å; L1876-F1902 HydrophobicContact CD1-CE1 4.36Å; L1876-F1902 HydrophobicContact CD2-CD1 4.11Å; L1876-F1902 HydrophobicContact CD2-CE1 4.35Å; W1898-F1902 HydrophobicContact CE3-CB 3.84Å; W1898-F1902 HydrophobicContact CE3-CG 4.35Å; W1898-F1902 HydrophobicContact CH2-CB 4.08Å; W1898-F1902 AromaticContact CH2-CD2 3.63Å; W1898-F1902 HydrophobicContact CH2-CD2 3.63Å; W1898-F1902 HydrophobicContact CH2-CE2 4.3Å; W1898-F1902 AromaticContact CH2-CG 3.88Å; W1898-F1902 HydrophobicContact CH2-CG 3.88Å; W1898-F1902 HydrophobicContact CZ3-CB 3.55Å; W1898-F1902 HydrophobicContact CZ3-CD1 4.15Å; W1898-F1902 AromaticContact CZ3-CD2 3.84Å; W1898-F1902 HydrophobicContact CZ3-CD2 3.84Å; W1898-F1902 AromaticContact CZ3-CG 3.56Å; W1898-F1902 HydrophobicContact CZ3-CG 3.56Å; W1898-F1902 VanDerWaalsContact O-CB 3.22Å; W1898-F1902 WeakPolarHBondContact O-CB 3.41Å; W1898-F1902 PolarHBondContact O-N 2.88Å; L1899-F1902 WeakPolarHBondContact O-CB 3.33Å; L1899-F1902 PolarHBondContact O-N 3.21Å; D1900-F1902 VanDerWaalsContact C-N 3.34Å; D1900-F1902 PolarHBondContact O-N 2.93Å; F1902-W1905 AromaticContact CD2-CE3 3.81Å; F1902-W1905 HydrophobicContact CD2-CE3 3.81Å; F1902-W1905 HydrophobicContact CD2-CZ3 4.21Å; F1902-W1905 AromaticContact CE2-CE3 3.65Å; F1902-W1905 HydrophobicContact CE2-CE3 3.65Å; F1902-W1905 AromaticContact CE2-CZ3 3.62Å; F1902-W1905 HydrophobicContact CE2-CZ3 3.62Å; F1902-R1906 HydrophobicContact CZ-CB 4.42Å; F1902-R1906 WeakPolarHBondContact O-CB 3.48Å; F1902-R1906 PolarHBondContact O-N 3.26Å
1903A95.7Very high94.3Very high0 Ų026.5 Ų26.50%016%0.159CC..Hα-helixtrans-64.5-41.617200000112.5L1876 L1899 D1900 A1901 R1907 A1913 A1956L1876-A1903 HydrophobicContact CD1-CB 3.93Å; L1899-A1903 PolarHBondContact O-N 3.3Å; D1900-A1903 WeakPolarHBondContact O-CB 3.36Å; D1900-A1903 PolarHBondContact O-N 2.91Å; A1901-A1903 PolarHBondContact O-N 3.05Å; A1903-R1907 WeakPolarHBondContact O-CG 3.45Å; A1903-R1907 PolarHBondContact O-N 2.95Å; A1903-A1913 HydrophobicContact CB-CB 4.11Å; A1903-A1956 WeakPolarHBondContact CB-O 3.2Å
1904H93.4Very high94.3Very high64 Ų6427 Ų2730%0.29616%0.161SC..Hα-helixtrans-68.5-49.5175.4-75.3-105.4000111.6D1900 A1901 R1906 R1907 A1908D1900-H1904 PolarHBondContact O-CD2 3.3Å; A1901-H1904 PolarHBondContact O-N 2.75Å; A1901-H1904 VanDerWaalsContact O-N 3.08Å; H1904-R1906 VanDerWaalsContact C-N 3.32Å; H1904-R1906 PolarHBondContact O-N 3.48Å; H1904-R1907 WeakPolarHBondContact O-CB 3.48Å; H1904-R1907 PolarHBondContact O-N 3.42Å; H1904-R1907 VanDerWaalsContact O-N 3.13Å; H1904-A1908 PolarHBondContact O-N 3.34Å
1905W94Very high94.3Very high28 Ų2827 Ų2711%0.10616%0.161CC..Hα-helixtrans-57-41.8176.7177.494.1000112.9L1272 L1315 A1316 L1318 W1860 H1863 A1901 F1902 R1907 A1908 Q1909L1272-W1905 HydrophobicContact CD1-CZ2 4.27Å; L1315-W1905 HydrophobicContact CD1-CG 4.33Å; A1316-W1905 HydrophobicContact CB-CB 4.49Å; L1318-W1905 HydrophobicContact CD1-CB 4.17Å; L1318-W1905 HydrophobicContact CD1-CD2 3.63Å; L1318-W1905 HydrophobicContact CD1-CE3 4.03Å; L1318-W1905 HydrophobicContact CD1-CG 3.69Å; L1318-W1905 HydrophobicContact CD2-CB 3.91Å; L1318-W1905 HydrophobicContact CD2-CG 4.24Å; L1318-W1905 HydrophobicContact CG-CB 4.19Å; L1318-W1905 HydrophobicContact CG-CD2 4.41Å; L1318-W1905 HydrophobicContact CG-CG 3.96Å; W1860-W1905 AromaticContact CH2-CH2 3.63Å; W1860-W1905 HydrophobicContact CH2-CH2 3.63Å; W1860-W1905 HydrophobicContact CH2-CZ2 4.16Å; W1860-W1905 HydrophobicContact CH2-CZ3 4.37Å; W1860-W1905 AromaticContact CZ3-CH2 3.46Å; W1860-W1905 HydrophobicContact CZ3-CH2 3.46Å; W1860-W1905 VanDerWaalsContact CZ3-CH2 3.46Å; W1860-W1905 HydrophobicContact CZ3-CZ2 4.19Å; W1860-W1905 AromaticContact CZ3-CZ3 3.75Å; W1860-W1905 HydrophobicContact CZ3-CZ3 3.75Å; H1863-W1905 AromaticContact NE2-CH2 3.75Å; H1863-W1905 AromaticContact NE2-CZ3 3.65Å; A1901-W1905 PolarHBondContact O-N 2.72Å; F1902-W1905 AromaticContact CD2-CE3 3.81Å; F1902-W1905 HydrophobicContact CD2-CE3 3.81Å; F1902-W1905 HydrophobicContact CD2-CZ3 4.21Å; F1902-W1905 AromaticContact CE2-CE3 3.65Å; F1902-W1905 HydrophobicContact CE2-CE3 3.65Å; F1902-W1905 AromaticContact CE2-CZ3 3.62Å; F1902-W1905 HydrophobicContact CE2-CZ3 3.62Å; W1905-R1907 VanDerWaalsContact C-N 3.35Å; W1905-R1907 PolarHBondContact O-N 3.15Å; W1905-A1908 PolarHBondContact O-N 2.89Å; W1905-Q1909 PolarHBondContact O-N 2.94Å
1906R93.7Very high94.3Very high3 Ų327 Ų271%0.01116%0.161CC..Hα-helixtrans-67.3-36.5178.7-177.9164.8174.413611.9111.8H1863 F1874 F1902 H1904 Q1909 L1911 P1912 A1913H1863-R1906 PolarHBondContact ND1-NH1 3.43Å; F1874-R1906 VanDerWaalsContact CD2-CZ 3.42Å; F1874-R1906 VanDerWaalsContact CD2-NH1 3.28Å; F1902-R1906 HydrophobicContact CZ-CB 4.42Å; F1902-R1906 WeakPolarHBondContact O-CB 3.48Å; F1902-R1906 PolarHBondContact O-N 3.26Å; H1904-R1906 VanDerWaalsContact C-N 3.32Å; H1904-R1906 PolarHBondContact O-N 3.48Å; R1906-Q1909 PolarHBondContact O-N 2.9Å; R1906-L1911 CarbonylContact C-O 3.09Å; R1906-L1911 HydrophobicContact CG-CB 3.66Å; R1906-L1911 HydrophobicContact CG-CD1 4.41Å; R1906-L1911 WeakPolarHBondContact O-CB 3.45Å; R1906-L1911 PolarHBondContact O-N 3.01Å; R1906-P1912 PolarHBondContact NE-O 3.18Å; R1906-A1913 HydrophobicContact CB-CB 3.98Å; R1906-A1913 HydrophobicContact CG-CB 4.06Å
1907R91.3Very high94.2Very high78 Ų7827 Ų2729%0.29416%0.161SC..Hα-helixtrans-70.5-35.1174.1-79.2174.6169.8-120.80.9113.9A1903 H1904 W1905 Q1909 G1910 L1911 A1913 T1914 G1954 R1955 A1956A1903-R1907 WeakPolarHBondContact O-CG 3.45Å; A1903-R1907 PolarHBondContact O-N 2.95Å; H1904-R1907 WeakPolarHBondContact O-CB 3.48Å; H1904-R1907 PolarHBondContact O-N 3.42Å; H1904-R1907 VanDerWaalsContact O-N 3.13Å; W1905-R1907 VanDerWaalsContact C-N 3.35Å; W1905-R1907 PolarHBondContact O-N 3.15Å; R1907-Q1909 PolarHBondContact O-N 3.16Å; R1907-G1910 WeakPolarHBondContact O-CA 3.43Å; R1907-G1910 PolarHBondContact O-N 3.23Å; R1907-L1911 WeakPolarHBondContact CA-O 3.48Å; R1907-A1913 HydrophobicContact CG-CB 4.43Å; R1907-A1913 VanDerWaalsContact CZ-O 3.26Å; R1907-A1913 PolarHBondContact NE-O 3.4Å; R1907-A1913 PolarHBondContact NH2-O 3.26Å; R1907-T1914 PolarHBondContact NH2-OG1 2.77Å; R1907-G1954 PolarHBondContact NH1-O 2.79Å; R1907-R1955 VanDerWaalsContact NH2-C 3.28Å; R1907-R1955 PolarHBondContact NH2-O 2.86Å; R1907-A1956 VanDerWaalsContact CD-CB 3.47Å
1908A89.2Confident94.1Very high66 Ų6626.9 Ų26.955%0.54516%0.16SC..Hα-helixtrans-59.4-24.6173.600000112.3L1315 H1904 W1905L1315-A1908 HydrophobicContact CD1-CB 3.73Å; H1904-A1908 PolarHBondContact O-N 3.34Å; W1905-A1908 PolarHBondContact O-N 2.89Å
1909Q88.8Confident93.7Very high109 Ų10927.7 Ų27.751%0.50917%0.167SC..THydrogen-bonded Turntrans-92.215.5171.5-66.7-174.492.100114.3W1905 R1906 R1907 L1911W1905-Q1909 PolarHBondContact O-N 2.94Å; R1906-Q1909 PolarHBondContact O-N 2.9Å; R1907-Q1909 PolarHBondContact O-N 3.16Å; Q1909-L1911 PolarHBondContact O-N 3.47Å
1910G87.3Confident93Very high70 Ų7028.5 Ų28.572%0.72218%0.175SC*.THydrogen-bonded Turntrans71.29.2178.600000115.2R1907R1907-G1910 WeakPolarHBondContact O-CA 3.43Å; R1907-G1910 PolarHBondContact O-N 3.23Å
1911L93Very high92.5Very high59 Ų5928.2 Ų28.231%0.30917%0.172SC..  trans-94.5145.3179.2-63.5175.6000111.1R1906 R1907 Q1909R1906-L1911 CarbonylContact C-O 3.09Å; R1906-L1911 HydrophobicContact CG-CB 3.66Å; R1906-L1911 HydrophobicContact CG-CD1 4.41Å; R1906-L1911 WeakPolarHBondContact O-CB 3.45Å; R1906-L1911 PolarHBondContact O-N 3.01Å; R1907-L1911 WeakPolarHBondContact CA-O 3.48Å; Q1909-L1911 PolarHBondContact O-N 3.47Å
1912P92Very high91.4Very high39 Ų3928.8 Ų28.825%0.25318%0.177SC..  trans-66.1139.3176.927.8-35000111.1L1871 F1874 R1906L1871-P1912 HydrophobicContact CB-CG 3.9Å; F1874-P1912 VanDerWaalsContact CB-O 3.32Å; F1874-P1912 WeakPolarHBondContact CB-O 3.19Å; R1906-P1912 PolarHBondContact NE-O 3.18Å
1913A95.1Very high89.9Confident3 Ų336.4 Ų36.43%0.02521%0.213CC..  trans-158.4150167.200000109.9F1874 A1903 R1906 R1907F1874-A1913 CarbonylContact O-C 3.36Å; F1874-A1913 VanDerWaalsContact O-CA 3.29Å; F1874-A1913 WeakPolarHBondContact O-CA 3.43Å; A1903-A1913 HydrophobicContact CB-CB 4.11Å; R1906-A1913 HydrophobicContact CB-CB 3.98Å; R1906-A1913 HydrophobicContact CG-CB 4.06Å; R1907-A1913 HydrophobicContact CG-CB 4.43Å; R1907-A1913 VanDerWaalsContact CZ-O 3.26Å; R1907-A1913 PolarHBondContact NE-O 3.4Å; R1907-A1913 PolarHBondContact NH2-O 3.26Å
1914T95.6Very high88.3Confident9 Ų938.1 Ų38.16%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-148126.7163.3-70.50000107.6F1874 C1875 L1876 R1907 I1916 R1955 A1956F1874-T1914 PolarHBondContact O-N 3.33Å; C1875-T1914 CarbonylContact C-O 3.59Å; C1875-T1914 WeakPolarHBondContact CA-O 3.47Å; L1876-T1914 PolarHBondContact N-O 2.92Å; R1907-T1914 PolarHBondContact NH2-OG1 2.77Å; T1914-I1916 HydrophobicContact CG2-CG1 4.16Å; T1914-R1955 WeakPolarHBondContact CG2-O 3.13Å; T1914-R1955 PolarHBondContact OG1-O 2.73Å; T1914-A1956 CarbonylContact C-O 3.53Å; T1914-A1956 WeakPolarHBondContact CA-O 3.43Å
1915S97.4Very high86.7Confident0 Ų036.8 Ų36.80%023%0.225CC..EExtended strand (participates in β ladder)trans-100.9135.2170.7-167.60000110.8L1876 S1878 D1900 A1956 Y1957 S1958L1876-S1915 WeakPolarHBondContact O-CA 3.37Å; S1878-S1915 WeakPolarHBondContact CB-OG 3.49Å; D1900-S1915 VanDerWaalsContact OD1-CB 3.3Å; D1900-S1915 WeakPolarHBondContact OD1-CB 3.48Å; D1900-S1915 PolarHBondContact OD1-OG 3Å; S1915-A1956 PolarHBondContact N-O 3.27Å; S1915-Y1957 CarbonylContact O-C 3.58Å; S1915-Y1957 WeakPolarHBondContact O-CA 3.34Å; S1915-S1958 PolarHBondContact O-N 3.41Å
1916I97.6Very high85.1Confident0 Ų045.2 Ų45.20%026%0.257CS..EExtended strand (participates in β ladder)trans-118.8111.7176.7-48.4173.6000107.9L1876 S1878 T1914 W1918 F1947 L1950 S1958L1876-I1916 PolarHBondContact O-N 3.41Å; S1878-I1916 CarbonylContact C-O 3.6Å; S1878-I1916 WeakPolarHBondContact CA-O 3.43Å; S1878-I1916 WeakPolarHBondContact CB-O 3.45Å; S1878-I1916 PolarHBondContact N-O 3.48Å; T1914-I1916 HydrophobicContact CG2-CG1 4.16Å; I1916-W1918 HydrophobicContact CB-CD2 4.35Å; I1916-W1918 HydrophobicContact CB-CZ2 4.1Å; I1916-W1918 HydrophobicContact CD1-CH2 4.27Å; I1916-W1918 HydrophobicContact CD1-CZ2 3.63Å; I1916-W1918 HydrophobicContact CG1-CZ2 4.47Å; I1916-W1918 HydrophobicContact CG2-CD2 3.61Å; I1916-W1918 VanDerWaalsContact CG2-CE2 3.44Å; I1916-W1918 HydrophobicContact CG2-CE3 3.97Å; I1916-W1918 HydrophobicContact CG2-CG 4.14Å; I1916-W1918 HydrophobicContact CG2-CH2 4.09Å; I1916-W1918 HydrophobicContact CG2-CZ2 3.72Å; I1916-W1918 HydrophobicContact CG2-CZ3 4.2Å; I1916-W1918 VanDerWaalsContact O-CD1 3.27Å; I1916-W1918 PolarHBondContact O-N 2.82Å; I1916-W1918 VanDerWaalsContact O-N 3.17Å; I1916-F1947 HydrophobicContact CD1-CD2 4.45Å; I1916-L1950 HydrophobicContact CD1-CB 4.25Å; I1916-L1950 HydrophobicContact CD1-CD1 3.8Å; I1916-L1950 HydrophobicContact CG1-CD1 4.09Å; I1916-L1950 HydrophobicContact CG2-CD1 4.13Å; I1916-S1958 CarbonylContact C-O 3.52Å; I1916-S1958 WeakPolarHBondContact CA-O 3.22Å
1917A95.6Very high83.4Confident0 Ų047 Ų470%027%0.272CS..EExtended strand (participates in β ladder)trans-82.284.5173.900000109.4Y1957 S1958 Y1960A1917-Y1957 HydrophobicContact CB-CE2 3.72Å; A1917-Y1957 WeakPolarHBondContact CB-OH 3.32Å; A1917-S1958 PolarHBondContact N-O 3.29Å; A1917-Y1960 PolarHBondContact O-N 2.95Å
1918W94Very high81.5Confident9 Ų945.2 Ų45.23%0.03427%0.27CS..EExtended strand (participates in β ladder)trans-70.4136.7-178.1-61.4105000112.8F1877 S1879 A1880 I1916 W1921 I1938 G1943 A1946 F1947 Y1960F1877-W1918 AromaticContact CD1-CD1 3.61Å; F1877-W1918 AromaticContact CD1-NE1 3.35Å; F1877-W1918 AromaticContact CD2-NE1 3.38Å; F1877-W1918 AromaticContact CE1-CD1 3.81Å; F1877-W1918 AromaticContact CE1-CE2 3.8Å; F1877-W1918 HydrophobicContact CE1-CZ2 4.25Å; F1877-W1918 AromaticContact CE1-NE1 3.2Å; F1877-W1918 AromaticContact CE2-CE2 3.83Å; F1877-W1918 AromaticContact CE2-CZ2 3.87Å; F1877-W1918 HydrophobicContact CE2-CZ2 3.87Å; F1877-W1918 AromaticContact CE2-NE1 3.22Å; F1877-W1918 AromaticContact CG-CD1 3.81Å; F1877-W1918 AromaticContact CG-NE1 3.43Å; F1877-W1918 AromaticContact CZ-CE2 3.5Å; F1877-W1918 VanDerWaalsContact CZ-CE2 3.5Å; F1877-W1918 AromaticContact CZ-CZ2 3.53Å; F1877-W1918 HydrophobicContact CZ-CZ2 3.53Å; F1877-W1918 AromaticContact CZ-NE1 3.12Å; S1879-W1918 WeakPolarHBondContact CA-O 3.37Å; A1880-W1918 WeakPolarHBondContact CB-O 3.47Å; A1880-W1918 PolarHBondContact N-O 2.88Å; I1916-W1918 HydrophobicContact CB-CD2 4.35Å; I1916-W1918 HydrophobicContact CB-CZ2 4.1Å; I1916-W1918 HydrophobicContact CD1-CH2 4.27Å; I1916-W1918 HydrophobicContact CD1-CZ2 3.63Å; I1916-W1918 HydrophobicContact CG1-CZ2 4.47Å; I1916-W1918 HydrophobicContact CG2-CD2 3.61Å; I1916-W1918 VanDerWaalsContact CG2-CE2 3.44Å; I1916-W1918 HydrophobicContact CG2-CE3 3.97Å; I1916-W1918 HydrophobicContact CG2-CG 4.14Å; I1916-W1918 HydrophobicContact CG2-CH2 4.09Å; I1916-W1918 HydrophobicContact CG2-CZ2 3.72Å; I1916-W1918 HydrophobicContact CG2-CZ3 4.2Å; I1916-W1918 VanDerWaalsContact O-CD1 3.27Å; I1916-W1918 PolarHBondContact O-N 2.82Å; I1916-W1918 VanDerWaalsContact O-N 3.17Å; W1918-W1921 AromaticContact CD2-CZ2 3.95Å; W1918-W1921 HydrophobicContact CD2-CZ2 3.95Å; W1918-W1921 AromaticContact CD2-NE1 3.55Å; W1918-W1921 AromaticContact CE2-CZ2 3.98Å; W1918-W1921 AromaticContact CE3-CE2 3.98Å; W1918-W1921 AromaticContact CE3-CZ2 3.87Å; W1918-W1921 HydrophobicContact CE3-CZ2 3.87Å; W1918-W1921 AromaticContact CE3-NE1 3.58Å; W1918-W1921 AromaticContact CG-NE1 3.64Å; W1918-W1921 AromaticContact CH2-CZ2 3.86Å; W1918-W1921 HydrophobicContact CH2-CZ2 3.86Å; W1918-W1921 AromaticContact CZ2-CZ2 3.95Å; W1918-W1921 HydrophobicContact CZ2-CZ2 3.95Å; W1918-W1921 AromaticContact CZ3-CZ2 3.82Å; W1918-W1921 HydrophobicContact CZ3-CZ2 3.82Å; W1918-I1938 HydrophobicContact CE3-CD1 4.1Å; W1918-G1943 WeakPolarHBondContact CH2-O 3.35Å; W1918-A1946 HydrophobicContact CH2-CB 4.22Å; W1918-A1946 HydrophobicContact CZ3-CB 4.21Å; W1918-F1947 HydrophobicContact CH2-CB 4.1Å; W1918-F1947 HydrophobicContact CZ2-CB 4.17Å; W1918-Y1960 AromaticContact CE3-CD1 3.86Å; W1918-Y1960 HydrophobicContact CE3-CD1 3.86Å; W1918-Y1960 HydrophobicContact CE3-CG 4.22Å; W1918-Y1960 AromaticContact CZ3-CD1 3.61Å; W1918-Y1960 HydrophobicContact CZ3-CD1 3.61Å; W1918-Y1960 HydrophobicContact CZ3-CE1 4.37Å; W1918-Y1960 AromaticContact CZ3-CG 3.96Å; W1918-Y1960 HydrophobicContact CZ3-CG 3.96Å
1919G89Confident79.8Confident16 Ų1645.7 Ų45.717%0.16527%0.274CS..  trans-67.1-171.4158.700000112.6Y1960G1919-Y1960 PolarHBondContact N-O 3.28Å
1920A83.1Confident78Confident18 Ų1845.4 Ų45.415%0.14928%0.275CS..PPolyproline II helixtrans-67.7134.417600000111.1A1927 A1931 A1937 I1938A1920-A1927 HydrophobicContact CB-CB 4.31Å; A1920-A1931 HydrophobicContact CB-CB 4.02Å; A1920-A1937 WeakPolarHBondContact O-CA 3.14Å; A1920-I1938 PolarHBondContact O-N 2.95Å
1921W85.3Confident76.3Confident8 Ų842.5 Ų42.53%0.0325%0.245CC..BIsolated β-bridgetrans-94.1138.9172.6-73.855.6000110L1756 F1759 L1760 F1877 W1918 I1938 G1943L1756-W1921 HydrophobicContact CD1-CD2 4.34Å; L1756-W1921 HydrophobicContact CD1-CG 4.2Å; L1756-W1921 HydrophobicContact CD2-CB 4.09Å; L1756-W1921 HydrophobicContact CD2-CD2 3.44Å; L1756-W1921 VanDerWaalsContact CD2-CD2 3.44Å; L1756-W1921 HydrophobicContact CD2-CE3 3.3Å; L1756-W1921 HydrophobicContact CD2-CG 3.84Å; L1756-W1921 HydrophobicContact CD2-CH2 4.39Å; L1756-W1921 HydrophobicContact CD2-CZ3 3.81Å; F1759-W1921 HydrophobicContact CD1-CZ3 4.24Å; F1759-W1921 HydrophobicContact CE1-CZ3 4.06Å; L1760-W1921 HydrophobicContact CD2-CH2 4.41Å; F1877-W1921 HydrophobicContact CE1-CZ2 4.27Å; F1877-W1921 HydrophobicContact CZ-CZ2 4.48Å; W1918-W1921 AromaticContact CD2-CZ2 3.95Å; W1918-W1921 HydrophobicContact CD2-CZ2 3.95Å; W1918-W1921 AromaticContact CD2-NE1 3.55Å; W1918-W1921 AromaticContact CE2-CZ2 3.98Å; W1918-W1921 AromaticContact CE3-CE2 3.98Å; W1918-W1921 AromaticContact CE3-CZ2 3.87Å; W1918-W1921 HydrophobicContact CE3-CZ2 3.87Å; W1918-W1921 AromaticContact CE3-NE1 3.58Å; W1918-W1921 AromaticContact CG-NE1 3.64Å; W1918-W1921 AromaticContact CH2-CZ2 3.86Å; W1918-W1921 HydrophobicContact CH2-CZ2 3.86Å; W1918-W1921 AromaticContact CZ2-CZ2 3.95Å; W1918-W1921 HydrophobicContact CZ2-CZ2 3.95Å; W1918-W1921 AromaticContact CZ3-CZ2 3.82Å; W1918-W1921 HydrophobicContact CZ3-CZ2 3.82Å; W1921-I1938 CarbonylContact C-O 3.54Å; W1921-I1938 WeakPolarHBondContact CA-O 3.35Å; W1921-I1938 HydrophobicContact CD2-CG2 4.29Å; W1921-I1938 HydrophobicContact CG-CB 4.29Å; W1921-G1943 VanDerWaalsContact CH2-CA 3.48Å
1922A72.5Confident74.2Confident26 Ų2647.5 Ų47.522%0.21527%0.266CS..SBendtrans-76.5156169.800000110.9I1924 A1937 I1938A1922-I1924 PolarHBondContact O-N 2.85Å; A1922-A1937 HydrophobicContact CB-CB 4.01Å; A1922-I1938 PolarHBondContact N-O 3.47Å
1923E64.1Low72Confident159 Ų15948.8 Ų48.874%0.74329%0.287SS*.SBendtrans61.8-33.6174.4-58.1167.4-141.100117.3P1940E1923-P1940 HydrophobicContact CB-CG 4.11Å
1924I63.4Low69.9Low36 Ų3652.5 Ų52.519%0.18531%0.31CS..SBendtrans-132.6123.2-166.3-52.7-176.1000110.7G1755 L1756 F1759 A1922 P1940G1755-I1924 WeakPolarHBondContact O-CG2 3.43Å; L1756-I1924 HydrophobicContact CD2-CB 4.08Å; L1756-I1924 HydrophobicContact CD2-CG2 3.84Å; L1756-I1924 WeakPolarHBondContact CD2-O 3.47Å; L1756-I1924 HydrophobicContact CG-CG2 4.26Å; F1759-I1924 HydrophobicContact CB-CD1 4.01Å; F1759-I1924 HydrophobicContact CB-CG2 4.42Å; F1759-I1924 HydrophobicContact CD1-CD1 4.33Å; F1759-I1924 HydrophobicContact CD2-CD1 3.88Å; F1759-I1924 HydrophobicContact CG-CD1 3.79Å; A1922-I1924 PolarHBondContact O-N 2.85Å; I1924-P1940 HydrophobicContact CD1-CB 3.83Å; I1924-P1940 HydrophobicContact CD1-CG 3.7Å; I1924-P1940 HydrophobicContact CG1-CG 3.92Å
1925G59.4Low67.7Low36 Ų3654.4 Ų54.437%0.37133%0.331SS..SBendtrans131.3-155172.100000112.8
1926R59Low66.1Low205 Ų20555.3 Ų55.377%0.77434%0.339SS*.SBendtrans-101-20.3170.1-80.5-171.7168.9-155.8-3.6113.4T1928R1926-T1928 VanDerWaalsContact C-N 3.29Å; R1926-T1928 PolarHBondContact O-N 3.37Å
1927A57.9Low65Low40 Ų4056.5 Ų56.533%0.33135%0.348SS..  trans-86.99.8-174.500000113.8A1920 A1929 L1930 A1931A1920-A1927 HydrophobicContact CB-CB 4.31Å; A1927-A1929 VanDerWaalsContact C-N 3.32Å; A1927-A1929 PolarHBondContact O-N 3.48Å; A1927-L1930 WeakPolarHBondContact O-CA 3.22Å; A1927-L1930 WeakPolarHBondContact O-CB 3.2Å; A1927-L1930 PolarHBondContact O-N 3.4Å; A1927-A1931 PolarHBondContact O-N 3.09Å
1928T53.1Low64.5Low41 Ų4156.5 Ų56.525%0.25235%0.348SS..Hα-helixtrans-60.2-40.3-178.148.50000112.3R1926 L1930 A1931 E1932R1926-T1928 VanDerWaalsContact C-N 3.29Å; R1926-T1928 PolarHBondContact O-N 3.37Å; T1928-L1930 PolarHBondContact O-N 2.82Å; T1928-A1931 WeakPolarHBondContact O-CB 3.19Å; T1928-A1931 PolarHBondContact O-N 3Å; T1928-E1932 WeakPolarHBondContact O-CG 3.39Å; T1928-E1932 PolarHBondContact O-N 2.98Å
1929A51.8Low64Low77 Ų7758 Ų5864%0.63636%0.362SS*.Hα-helixtrans-65.9-20.9174.500000113.9A1927A1927-A1929 VanDerWaalsContact C-N 3.32Å; A1927-A1929 PolarHBondContact O-N 3.48Å
1930L51.2Low63.7Low102 Ų10257.8 Ų57.853%0.53436%0.358SS..Hα-helixtrans-85.7-39.6172.3-173.667.5000110.9A1927 T1928 E1932 G1933 T1934A1927-L1930 WeakPolarHBondContact O-CA 3.22Å; A1927-L1930 WeakPolarHBondContact O-CB 3.2Å; A1927-L1930 PolarHBondContact O-N 3.4Å; T1928-L1930 PolarHBondContact O-N 2.82Å; L1930-E1932 VanDerWaalsContact C-N 3.3Å; L1930-E1932 PolarHBondContact O-N 3.34Å; L1930-G1933 PolarHBondContact O-N 3.25Å; L1930-T1934 PolarHBondContact O-N 3.35Å
1931A51.9Low63.6Low10 Ų1060.6 Ų60.68%0.08338%0.381CS..Hα-helixtrans-58.7-39.2173.800000112.6A1920 A1927 T1928 G1933 A1937A1920-A1931 HydrophobicContact CB-CB 4.02Å; A1927-A1931 PolarHBondContact O-N 3.09Å; T1928-A1931 WeakPolarHBondContact O-CB 3.19Å; T1928-A1931 PolarHBondContact O-N 3Å; A1931-G1933 PolarHBondContact O-N 2.99Å; A1931-A1937 HydrophobicContact CB-CB 3.52Å
1932E49.8Very low63.6Low163 Ų16361.5 Ų61.576%0.76239%0.386SS*.Hα-helixtrans-63.4-28173.2-74.5165.8-162.400112.7T1928 L1930T1928-E1932 WeakPolarHBondContact O-CG 3.39Å; T1928-E1932 PolarHBondContact O-N 2.98Å; L1930-E1932 VanDerWaalsContact C-N 3.3Å; L1930-E1932 PolarHBondContact O-N 3.34Å
1933G46.2Very low64.4Low67 Ų6760.3 Ų60.369%0.69138%0.376SS*.Hα-helixtrans-89.6-21.3-176.300000115.8L1930 A1931L1930-G1933 PolarHBondContact O-N 3.25Å; A1931-G1933 PolarHBondContact O-N 2.99Å
1934T49.8Very low65.6Low81 Ų8152.8 Ų52.850%0.49734%0.341SS..Hα-helixtrans-99.5-8.8-177.156.70000114.3L1930 A1936L1930-T1934 PolarHBondContact O-N 3.35Å; T1934-A1936 PolarHBondContact O-N 3.17Å; T1934-A1936 PolarHBondContact OG1-O 2.77Å; T1934-A1936 VanDerWaalsContact OG1-O 3.13Å
1935G50.4Low66.8Low48 Ų4854 Ų5450%0.49534%0.344SS..SBendtrans66.1-1-17500000114.9G1115G1115-G1935 VanDerWaalsContact CA-O 3.31Å; G1115-G1935 WeakPolarHBondContact CA-O 3.47Å
1936A62.3Low68.3Low20 Ų2052.3 Ų52.317%0.16533%0.326CS..  trans-138108.3-170.700000109.3T1934 P1962 T1966T1934-A1936 PolarHBondContact O-N 3.17Å; T1934-A1936 PolarHBondContact OG1-O 2.77Å; T1934-A1936 VanDerWaalsContact OG1-O 3.13Å; A1936-P1962 VanDerWaalsContact C-CG 3.42Å; A1936-P1962 HydrophobicContact CB-CB 4.04Å; A1936-P1962 HydrophobicContact CB-CG 4.09Å; A1936-P1962 WeakPolarHBondContact CB-O 3.42Å; A1936-P1962 VanDerWaalsContact O-CG 3.26Å; A1936-P1962 WeakPolarHBondContact O-CG 3.38Å; A1936-T1966 HydrophobicContact CB-CG2 4.45Å
1937A75.4Confident69.9Low24 Ų2442.7 Ų42.720%0.19829%0.29CS..  trans-147.6156.3-173.400000111.6A1920 A1922 A1931A1920-A1937 WeakPolarHBondContact O-CA 3.14Å; A1922-A1937 HydrophobicContact CB-CB 4.01Å; A1931-A1937 HydrophobicContact CB-CB 3.52Å
1938I84.2Confident71.4Confident0 Ų043.4 Ų43.40%029%0.286CS..BIsolated β-bridgetrans-86.7122-177.1-58.4154.1000109.3W1918 A1920 W1921 A1922 E1942 Y1960W1918-I1938 HydrophobicContact CE3-CD1 4.1Å; A1920-I1938 PolarHBondContact O-N 2.95Å; W1921-I1938 CarbonylContact C-O 3.54Å; W1921-I1938 WeakPolarHBondContact CA-O 3.35Å; W1921-I1938 HydrophobicContact CD2-CG2 4.29Å; W1921-I1938 HydrophobicContact CG-CB 4.29Å; A1922-I1938 PolarHBondContact N-O 3.47Å; I1938-E1942 WeakPolarHBondContact CA-OE2 3.39Å; I1938-E1942 HydrophobicContact CG2-CB 4.44Å; I1938-E1942 HydrophobicContact CG2-CG 4.36Å; I1938-Y1960 HydrophobicContact CD1-CD1 3.99Å; I1938-Y1960 WeakPolarHBondContact CD1-O 3.26Å; I1938-Y1960 HydrophobicContact CG1-CD1 4.19Å; I1938-Y1960 HydrophobicContact CG1-CE1 4.25Å; I1938-Y1960 HydrophobicContact CG2-CD1 4.46Å; I1938-Y1960 HydrophobicContact CG2-CE1 4.11Å
1939A83.7Confident73.2Confident40 Ų4043 Ų4333%0.33128%0.284SS..  trans-71.6149.5177.100000111.3A1941 E1942 G1943A1939-A1941 PolarHBondContact O-N 2.87Å; A1939-E1942 HydrophobicContact CB-CB 4.03Å; A1939-E1942 PolarHBondContact N-OE2 2.8Å; A1939-E1942 WeakPolarHBondContact O-CB 3.31Å; A1939-E1942 PolarHBondContact O-N 3.47Å; A1939-G1943 PolarHBondContact O-N 3.42Å
1940P83.3Confident75.1Confident12 Ų1239.4 Ų39.48%0.07825%0.254CS..Hα-helixtrans-54.1-45.3-178.6-30.136.8000114.3F1759 E1923 I1924 G1943 A1944F1759-P1940 HydrophobicContact CD1-CB 4.49Å; F1759-P1940 HydrophobicContact CE1-CB 3.89Å; F1759-P1940 WeakPolarHBondContact CE1-O 3.32Å; F1759-P1940 HydrophobicContact CE2-CB 4.06Å; F1759-P1940 HydrophobicContact CZ-CB 3.65Å; F1759-P1940 WeakPolarHBondContact CZ-O 3.26Å; E1923-P1940 HydrophobicContact CB-CG 4.11Å; I1924-P1940 HydrophobicContact CD1-CB 3.83Å; I1924-P1940 HydrophobicContact CD1-CG 3.7Å; I1924-P1940 HydrophobicContact CG1-CG 3.92Å; P1940-G1943 PolarHBondContact O-N 3.08Å; P1940-A1944 WeakPolarHBondContact O-CB 3.47Å; P1940-A1944 PolarHBondContact O-N 3.29Å
1941A80.4Confident77Confident77 Ų7734.7 Ų34.764%0.63623%0.229SC*.Hα-helixtrans-69.3-33.8177.500000113.2A1939 R1945A1939-A1941 PolarHBondContact O-N 2.87Å; A1941-R1945 WeakPolarHBondContact O-CB 3.14Å; A1941-R1945 PolarHBondContact O-N 3.08Å
1942E86.3Confident78.9Confident28 Ų2836.8 Ų36.813%0.13124%0.235CC..Hα-helixtrans-63.4-50.1173.2-179.8-163.6174.900110.4R1190 I1938 A1939 R1945 A1946 Y1960R1190-E1942 IonicContact NE-OE1 3.4Å; I1938-E1942 WeakPolarHBondContact CA-OE2 3.39Å; I1938-E1942 HydrophobicContact CG2-CB 4.44Å; I1938-E1942 HydrophobicContact CG2-CG 4.36Å; A1939-E1942 HydrophobicContact CB-CB 4.03Å; A1939-E1942 PolarHBondContact N-OE2 2.8Å; A1939-E1942 WeakPolarHBondContact O-CB 3.31Å; A1939-E1942 PolarHBondContact O-N 3.47Å; E1942-R1945 PolarHBondContact O-N 3.32Å; E1942-A1946 WeakPolarHBondContact O-CB 3.44Å; E1942-A1946 PolarHBondContact O-N 2.91Å; E1942-Y1960 HydrophobicContact CG-CE1 4.36Å; E1942-Y1960 PolarHBondContact OE1-OH 3.46Å; E1942-Y1960 VanDerWaalsContact OE1-OH 3.11Å
1943G88.8Confident80.8Confident0 Ų030.9 Ų30.90%021%0.206CC..Hα-helixtrans-65.4-38178.900000113.3W1918 W1921 A1939 P1940 A1946 F1947W1918-G1943 WeakPolarHBondContact CH2-O 3.35Å; W1921-G1943 VanDerWaalsContact CH2-CA 3.48Å; A1939-G1943 PolarHBondContact O-N 3.42Å; P1940-G1943 PolarHBondContact O-N 3.08Å; G1943-A1946 PolarHBondContact O-N 3.04Å; G1943-F1947 VanDerWaalsContact O-CB 3.24Å; G1943-F1947 WeakPolarHBondContact O-CB 3.48Å; G1943-F1947 PolarHBondContact O-N 3.18Å
1944A89.2Confident82.6Confident2 Ų229.3 Ų29.32%0.01719%0.19CC..Hα-helixtrans-60.6-47.1172.500000112.1F1759 L1760 E1763 P1940 F1947 Q1948F1759-A1944 HydrophobicContact CE1-CB 3.94Å; F1759-A1944 HydrophobicContact CZ-CB 4.01Å; L1760-A1944 HydrophobicContact CD2-CB 4.45Å; E1763-A1944 HydrophobicContact CG-CB 3.82Å; P1940-A1944 WeakPolarHBondContact O-CB 3.47Å; P1940-A1944 PolarHBondContact O-N 3.29Å; A1944-F1947 WeakPolarHBondContact O-CB 3.11Å; A1944-F1947 PolarHBondContact O-N 2.81Å; A1944-Q1948 WeakPolarHBondContact O-CG 3.45Å; A1944-Q1948 PolarHBondContact O-N 2.85Å
1945R88Confident84.6Confident62 Ų6226.1 Ų26.123%0.23417%0.169CC..Hα-helixtrans-64.3-45.7175.9-178.7-172.862.487.3-0.6111.7A1183 A1941 E1942 F1947 Q1948 T1949A1183-R1945 VanDerWaalsContact CB-CZ 3.49Å; A1183-R1945 PolarHBondContact O-NH1 3.41Å; A1183-R1945 PolarHBondContact O-NH2 2.98Å; A1941-R1945 WeakPolarHBondContact O-CB 3.14Å; A1941-R1945 PolarHBondContact O-N 3.08Å; E1942-R1945 PolarHBondContact O-N 3.32Å; R1945-F1947 VanDerWaalsContact C-N 3.32Å; R1945-F1947 PolarHBondContact O-N 3.33Å; R1945-Q1948 PolarHBondContact O-N 3.35Å; R1945-Q1948 VanDerWaalsContact O-N 3.17Å; R1945-T1949 PolarHBondContact O-N 3.12Å; R1945-T1949 PolarHBondContact O-OG1 3.02Å
1946A91Very high86.5Confident0 Ų024.5 Ų24.50%015%0.151CC..Hα-helixtrans-59.8-42.3177.900000111.8F1187 W1918 E1942 G1943 T1949 L1950 Y1960F1187-A1946 HydrophobicContact CD2-CB 3.81Å; F1187-A1946 HydrophobicContact CE2-CB 3.86Å; W1918-A1946 HydrophobicContact CH2-CB 4.22Å; W1918-A1946 HydrophobicContact CZ3-CB 4.21Å; E1942-A1946 WeakPolarHBondContact O-CB 3.44Å; E1942-A1946 PolarHBondContact O-N 2.91Å; G1943-A1946 PolarHBondContact O-N 3.04Å; A1946-T1949 PolarHBondContact O-N 2.81Å; A1946-L1950 WeakPolarHBondContact O-CB 3.44Å; A1946-L1950 WeakPolarHBondContact O-CG 3.49Å; A1946-L1950 PolarHBondContact O-N 2.78Å; A1946-Y1960 HydrophobicContact CB-CD1 4.31Å; A1946-Y1960 HydrophobicContact CB-CD2 4.15Å; A1946-Y1960 HydrophobicContact CB-CE1 3.93Å; A1946-Y1960 HydrophobicContact CB-CE2 3.79Å; A1946-Y1960 HydrophobicContact CB-CG 4.4Å
1947F93.5Very high88Confident3 Ų324.6 Ų24.61%0.01315%0.147CC..Hα-helixtrans-58.8-49.7171.6165.5-106.3000112L1760 L1764 L1829 W1873 C1875 F1877 I1916 W1918 G1943 A1944 R1945 T1949 L1950 L1951L1760-F1947 HydrophobicContact CD2-CD1 4.06Å; L1760-F1947 HydrophobicContact CD2-CE1 4.5Å; L1760-F1947 HydrophobicContact CD2-CG 4.42Å; L1764-F1947 HydrophobicContact CD2-CE1 4.32Å; L1829-F1947 HydrophobicContact CD1-CE2 4.22Å; L1829-F1947 HydrophobicContact CD2-CZ 4.43Å; W1873-F1947 HydrophobicContact CH2-CZ 4.09Å; W1873-F1947 HydrophobicContact CZ3-CZ 4.28Å; C1875-F1947 HydrophobicContact CB-CE2 4Å; F1877-F1947 HydrophobicContact CE2-CD2 4.12Å; F1877-F1947 HydrophobicContact CE2-CE2 4.4Å; I1916-F1947 HydrophobicContact CD1-CD2 4.45Å; W1918-F1947 HydrophobicContact CH2-CB 4.1Å; W1918-F1947 HydrophobicContact CZ2-CB 4.17Å; G1943-F1947 VanDerWaalsContact O-CB 3.24Å; G1943-F1947 WeakPolarHBondContact O-CB 3.48Å; G1943-F1947 PolarHBondContact O-N 3.18Å; A1944-F1947 WeakPolarHBondContact O-CB 3.11Å; A1944-F1947 PolarHBondContact O-N 2.81Å; R1945-F1947 VanDerWaalsContact C-N 3.32Å; R1945-F1947 PolarHBondContact O-N 3.33Å; F1947-T1949 PolarHBondContact O-N 3.07Å; F1947-L1950 PolarHBondContact O-N 2.87Å; F1947-L1951 HydrophobicContact CD1-CD1 4.46Å; F1947-L1951 HydrophobicContact CD2-CD1 4.22Å; F1947-L1951 HydrophobicContact CD2-CG 4.35Å; F1947-L1951 HydrophobicContact CE1-CD1 3.94Å; F1947-L1951 HydrophobicContact CE2-CD1 3.67Å; F1947-L1951 HydrophobicContact CE2-CG 4.15Å; F1947-L1951 HydrophobicContact CZ-CD1 3.52Å; F1947-L1951 HydrophobicContact CZ-CG 4.47Å; F1947-L1951 WeakPolarHBondContact O-CG 3.4Å; F1947-L1951 PolarHBondContact O-N 2.61Å
1948Q90Very high88.9Confident55 Ų5523.4 Ų23.426%0.25714%0.137SC..Hα-helixtrans-63-40.7177.9-71.8-168.135.900113A1944 R1945 R1952A1944-Q1948 WeakPolarHBondContact O-CG 3.45Å; A1944-Q1948 PolarHBondContact O-N 2.85Å; R1945-Q1948 PolarHBondContact O-N 3.35Å; R1945-Q1948 VanDerWaalsContact O-N 3.17Å; Q1948-R1952 WeakPolarHBondContact O-CD 3.31Å; Q1948-R1952 WeakPolarHBondContact O-CG 3.47Å; Q1948-R1952 PolarHBondContact O-N 3.29Å
1949T90.3Very high89.4Confident33 Ų3323.4 Ų23.420%0.20214%0.137CC..Hα-helixtrans-65.1-49.2176.8-60.70000111F1187 L1384 R1945 A1946 F1947 L1951 R1952 Y1953F1187-T1949 HydrophobicContact CE1-CG2 3.77Å; F1187-T1949 HydrophobicContact CE2-CG2 4.1Å; F1187-T1949 HydrophobicContact CZ-CG2 3.51Å; L1384-T1949 HydrophobicContact CD1-CG2 3.9Å; R1945-T1949 PolarHBondContact O-N 3.12Å; R1945-T1949 PolarHBondContact O-OG1 3.02Å; A1946-T1949 PolarHBondContact O-N 2.81Å; F1947-T1949 PolarHBondContact O-N 3.07Å; T1949-L1951 VanDerWaalsContact C-N 3.3Å; T1949-L1951 PolarHBondContact O-N 3.14Å; T1949-R1952 WeakPolarHBondContact O-CB 3.3Å; T1949-R1952 PolarHBondContact O-N 3.15Å; T1949-Y1953 HydrophobicContact CG2-CE2 4.35Å; T1949-Y1953 WeakPolarHBondContact O-CD2 3.29Å
1950L92.6Very high89.9Confident1 Ų121.5 Ų21.51%0.00512%0.122CC..Hα-helixtrans-61.3-36.9179.9-77.3166.8000112.6F1187 L1191 L1384 I1916 A1946 F1947 R1952 Y1953F1187-L1950 HydrophobicContact CE2-CG 4.16Å; F1187-L1950 HydrophobicContact CZ-CD2 4.29Å; F1187-L1950 HydrophobicContact CZ-CG 4.06Å; L1191-L1950 HydrophobicContact CD2-CD1 4.42Å; L1191-L1950 HydrophobicContact CD2-CD2 4.12Å; L1384-L1950 HydrophobicContact CD2-CD2 4.2Å; I1916-L1950 HydrophobicContact CD1-CB 4.25Å; I1916-L1950 HydrophobicContact CD1-CD1 3.8Å; I1916-L1950 HydrophobicContact CG1-CD1 4.09Å; I1916-L1950 HydrophobicContact CG2-CD1 4.13Å; A1946-L1950 WeakPolarHBondContact O-CB 3.44Å; A1946-L1950 WeakPolarHBondContact O-CG 3.49Å; A1946-L1950 PolarHBondContact O-N 2.78Å; F1947-L1950 PolarHBondContact O-N 2.87Å; L1950-R1952 VanDerWaalsContact C-N 3.27Å; L1950-R1952 PolarHBondContact O-N 2.95Å; L1950-Y1953 PolarHBondContact O-N 2.85Å
1951L90.9Very high90.1Very high3 Ų321.1 Ų21.12%0.01612%0.119CC..Hα-helixtrans-64.6-27174.7-75.8-175.3000114R1390 T1740 W1873 C1875 F1947 T1949 Y1953R1390-L1951 PolarHBondContact NH2-O 3.08Å; T1740-L1951 HydrophobicContact CG2-CB 3.69Å; W1873-L1951 HydrophobicContact CB-CD2 3.8Å; W1873-L1951 HydrophobicContact CD2-CD1 3.85Å; W1873-L1951 HydrophobicContact CD2-CD2 3.91Å; W1873-L1951 HydrophobicContact CE3-CD1 4.1Å; W1873-L1951 HydrophobicContact CE3-CD2 3.93Å; W1873-L1951 HydrophobicContact CG-CD1 4.27Å; W1873-L1951 HydrophobicContact CG-CD2 3.89Å; W1873-L1951 HydrophobicContact CH2-CD1 4.41Å; W1873-L1951 HydrophobicContact CZ2-CD1 4.17Å; W1873-L1951 HydrophobicContact CZ3-CD1 4.36Å; C1875-L1951 HydrophobicContact CB-CD2 4.27Å; F1947-L1951 HydrophobicContact CD1-CD1 4.46Å; F1947-L1951 HydrophobicContact CD2-CD1 4.22Å; F1947-L1951 HydrophobicContact CD2-CG 4.35Å; F1947-L1951 HydrophobicContact CE1-CD1 3.94Å; F1947-L1951 HydrophobicContact CE2-CD1 3.67Å; F1947-L1951 HydrophobicContact CE2-CG 4.15Å; F1947-L1951 HydrophobicContact CZ-CD1 3.52Å; F1947-L1951 HydrophobicContact CZ-CG 4.47Å; F1947-L1951 WeakPolarHBondContact O-CG 3.4Å; F1947-L1951 PolarHBondContact O-N 2.61Å; T1949-L1951 VanDerWaalsContact C-N 3.3Å; T1949-L1951 PolarHBondContact O-N 3.14Å; L1951-Y1953 VanDerWaalsContact C-N 3.3Å
1952R90.8Very high90.1Very high54 Ų5417.9 Ų17.920%0.2049%0.092CC..Hα-helixtrans-72.4-27.1177.4-68.5161.7-179.1-84.83.7111.6R1390 P1735 E1736 V1738 T1740 Q1948 T1949 L1950R1390-R1952 WeakPolarHBondContact CG-O 3.39Å; R1390-R1952 PolarHBondContact NE-O 2.97Å; R1390-R1952 VanDerWaalsContact NE-O 3.07Å; P1735-R1952 HydrophobicContact CB-CB 4.42Å; P1735-R1952 VanDerWaalsContact O-CD 3.28Å; P1735-R1952 WeakPolarHBondContact O-CD 3.5Å; P1735-R1952 WeakPolarHBondContact O-CG 3.42Å; P1735-R1952 PolarHBondContact O-NH1 2.84Å; E1736-R1952 VanDerWaalsContact C-NH1 3.31Å; E1736-R1952 VanDerWaalsContact CA-NH1 3.34Å; E1736-R1952 PolarHBondContact O-NH1 2.94Å; V1738-R1952 HydrophobicContact CB-CB 4.12Å; V1738-R1952 HydrophobicContact CB-CG 4.16Å; V1738-R1952 HydrophobicContact CG1-CB 4.3Å; V1738-R1952 HydrophobicContact CG1-CG 4.4Å; V1738-R1952 PolarHBondContact O-NH1 3.3Å; T1740-R1952 HydrophobicContact CG2-CG 3.84Å; Q1948-R1952 WeakPolarHBondContact O-CD 3.31Å; Q1948-R1952 WeakPolarHBondContact O-CG 3.47Å; Q1948-R1952 PolarHBondContact O-N 3.29Å; T1949-R1952 WeakPolarHBondContact O-CB 3.3Å; T1949-R1952 PolarHBondContact O-N 3.15Å; L1950-R1952 VanDerWaalsContact C-N 3.27Å; L1950-R1952 PolarHBondContact O-N 2.95Å
1953Y90.6Very high89.5Confident38 Ų3817.6 Ų17.615%0.1499%0.091CC..SBendtrans-93.2160-177-77.8-115.1000113.4L1384 E1388 R1389 P1735 T1949 L1950 L1951 R1955L1384-Y1953 HydrophobicContact CB-CD1 3.98Å; L1384-Y1953 HydrophobicContact CB-CE1 3.64Å; L1384-Y1953 HydrophobicContact CD1-CD1 3.81Å; L1384-Y1953 HydrophobicContact CD1-CD2 3.69Å; L1384-Y1953 HydrophobicContact CD1-CE1 3.81Å; L1384-Y1953 HydrophobicContact CD1-CE2 3.71Å; L1384-Y1953 HydrophobicContact CD1-CG 3.74Å; L1384-Y1953 HydrophobicContact CD2-CD1 4.01Å; L1384-Y1953 HydrophobicContact CD2-CG 4.21Å; L1384-Y1953 HydrophobicContact CG-CD1 4.17Å; L1384-Y1953 HydrophobicContact CG-CE1 4.21Å; L1384-Y1953 HydrophobicContact CG-CG 4.47Å; E1388-Y1953 HydrophobicContact CB-CD1 4.1Å; E1388-Y1953 WeakPolarHBondContact O-CD1 3.48Å; R1389-Y1953 HydrophobicContact CG-CD1 3.89Å; R1389-Y1953 HydrophobicContact CG-CE1 3.34Å; P1735-Y1953 HydrophobicContact CB-CE2 3.75Å; P1735-Y1953 HydrophobicContact CG-CE2 3.72Å; T1949-Y1953 HydrophobicContact CG2-CE2 4.35Å; T1949-Y1953 WeakPolarHBondContact O-CD2 3.29Å; L1950-Y1953 PolarHBondContact O-N 2.85Å; L1951-Y1953 VanDerWaalsContact C-N 3.3Å; Y1953-R1955 VanDerWaalsContact C-N 3.3Å; Y1953-R1955 PolarHBondContact O-N 3.43Å
1954G84.1Confident88.5Confident35 Ų3520.5 Ų20.536%0.36111%0.105SC..  trans-86.129.3176.100000114.2E1388 R1907E1388-G1954 WeakPolarHBondContact O-CA 3.23Å; E1388-G1954 PolarHBondContact O-N 2.9Å; R1907-G1954 PolarHBondContact NH1-O 2.79Å
1955R90.2Very high87.2Confident14 Ų1422.6 Ų22.65%0.05313%0.127CC..  trans-90.3134.4179-172.9-180-81-174.3-1.9112.7G1382 P1383 E1388 R1907 T1914 Y1953 Y1957 S1958G1382-R1955 PolarHBondContact O-NH1 3.48Å; G1382-R1955 PolarHBondContact O-NH2 3.34Å; G1382-R1955 VanDerWaalsContact O-NH2 3.17Å; P1383-R1955 PolarHBondContact O-NH2 3.04Å; E1388-R1955 VanDerWaalsContact CD-NE 3.34Å; E1388-R1955 WeakPolarHBondContact OE1-CB 3.44Å; E1388-R1955 VanDerWaalsContact OE1-CG 3.3Å; E1388-R1955 WeakPolarHBondContact OE1-CG 3.47Å; E1388-R1955 IonicContact OE1-CZ 2.65Å; E1388-R1955 IonicContact OE1-NE 2.98Å; E1388-R1955 PolarHBondContact OE1-NE 3.26Å; E1388-R1955 IonicContact OE1-NH2 3.47Å; E1388-R1955 IonicContact OE2-CZ 3.3Å; E1388-R1955 IonicContact OE2-NE 2.79Å; E1388-R1955 PolarHBondContact OE2-NE 2.67Å; E1388-R1955 IonicContact OE2-NH2 3.53Å; E1388-R1955 PolarHBondContact OE2-NH2 3.4Å; R1907-R1955 VanDerWaalsContact NH2-C 3.28Å; R1907-R1955 PolarHBondContact NH2-O 2.86Å; T1914-R1955 WeakPolarHBondContact CG2-O 3.13Å; T1914-R1955 PolarHBondContact OG1-O 2.73Å; Y1953-R1955 VanDerWaalsContact C-N 3.3Å; Y1953-R1955 PolarHBondContact O-N 3.43Å; R1955-Y1957 WeakPolarHBondContact CD-O 3.25Å; R1955-Y1957 VanDerWaalsContact CG-O 3.25Å; R1955-Y1957 WeakPolarHBondContact CG-O 3.41Å; R1955-S1958 WeakPolarHBondContact CD-OG 3.27Å
1956A90.7Very high86.3Confident14 Ų1420.9 Ų20.912%0.11612%0.123CC..SBendtrans-81.1-40.3-173.800000114.4A1903 R1907 T1914 S1915A1903-A1956 WeakPolarHBondContact CB-O 3.2Å; R1907-A1956 VanDerWaalsContact CD-CB 3.47Å; T1914-A1956 CarbonylContact C-O 3.53Å; T1914-A1956 WeakPolarHBondContact CA-O 3.43Å; S1915-A1956 PolarHBondContact N-O 3.27Å
1957Y93.9Very high84.9Confident21 Ų2125 Ų258%0.08215%0.15CC..EExtended strand (participates in β ladder)trans-135.6146.8-177.6175.1-113.1000110I1194 L1883 D1900 S1915 A1917 R1955I1194-Y1957 HydrophobicContact CD1-CE1 4.17Å; I1194-Y1957 HydrophobicContact CG1-CE1 4.36Å; L1883-Y1957 HydrophobicContact CD1-CE1 4.29Å; D1900-Y1957 HydrophobicContact CB-CD2 3.88Å; D1900-Y1957 HydrophobicContact CB-CE2 3.79Å; D1900-Y1957 VanDerWaalsContact OD1-CE2 3.27Å; D1900-Y1957 WeakPolarHBondContact OD1-CE2 3.43Å; D1900-Y1957 WeakPolarHBondContact OD2-CE2 3.42Å; S1915-Y1957 CarbonylContact O-C 3.58Å; S1915-Y1957 WeakPolarHBondContact O-CA 3.34Å; A1917-Y1957 HydrophobicContact CB-CE2 3.72Å; A1917-Y1957 WeakPolarHBondContact CB-OH 3.32Å; R1955-Y1957 WeakPolarHBondContact CD-O 3.25Å; R1955-Y1957 VanDerWaalsContact CG-O 3.25Å; R1955-Y1957 WeakPolarHBondContact CG-O 3.41Å
1958S95.1Very high83.7Confident0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-152.1133.2167.7-64.50000110.4S1915 I1916 A1917 R1955S1915-S1958 PolarHBondContact O-N 3.41Å; I1916-S1958 CarbonylContact C-O 3.52Å; I1916-S1958 WeakPolarHBondContact CA-O 3.22Å; A1917-S1958 PolarHBondContact N-O 3.29Å; R1955-S1958 WeakPolarHBondContact CD-OG 3.27Å
1959G94.4Very high82.9Confident0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-73.1135.6153.900000108.9L1192L1192-G1959 PolarHBondContact N-O 3.35Å; L1192-G1959 PolarHBondContact O-N 2.81Å
1960Y94.4Very high82Confident0 Ų029 Ų290%017%0.168CC..EExtended strand (participates in β ladder)trans-129.396.4167-166.7-90.2000107.5F1187 R1190 L1191 A1917 W1918 G1919 I1938 E1942 A1946F1187-Y1960 HydrophobicContact CD2-CD2 4.36Å; F1187-Y1960 AromaticContact CD2-CE2 3.54Å; F1187-Y1960 HydrophobicContact CD2-CE2 3.54Å; F1187-Y1960 HydrophobicContact CE2-CD2 4.45Å; F1187-Y1960 HydrophobicContact CE2-CE2 4.04Å; F1187-Y1960 HydrophobicContact CG-CE2 4.25Å; R1190-Y1960 HydrophobicContact CB-CD1 4.41Å; R1190-Y1960 HydrophobicContact CB-CD2 3.98Å; R1190-Y1960 HydrophobicContact CB-CE1 3.96Å; R1190-Y1960 HydrophobicContact CB-CE2 3.46Å; R1190-Y1960 VanDerWaalsContact CB-CE2 3.46Å; R1190-Y1960 HydrophobicContact CB-CG 4.43Å; R1190-Y1960 VanDerWaalsContact CB-CZ 3.45Å; R1190-Y1960 HydrophobicContact CG-CE1 4.37Å; R1190-Y1960 HydrophobicContact CG-CE2 4.44Å; R1190-Y1960 WeakPolarHBondContact O-CA 3.26Å; L1191-Y1960 HydrophobicContact CD2-CD2 3.99Å; L1191-Y1960 HydrophobicContact CG-CD2 4.19Å; A1917-Y1960 PolarHBondContact O-N 2.95Å; W1918-Y1960 AromaticContact CE3-CD1 3.86Å; W1918-Y1960 HydrophobicContact CE3-CD1 3.86Å; W1918-Y1960 HydrophobicContact CE3-CG 4.22Å; W1918-Y1960 AromaticContact CZ3-CD1 3.61Å; W1918-Y1960 HydrophobicContact CZ3-CD1 3.61Å; W1918-Y1960 HydrophobicContact CZ3-CE1 4.37Å; W1918-Y1960 AromaticContact CZ3-CG 3.96Å; W1918-Y1960 HydrophobicContact CZ3-CG 3.96Å; G1919-Y1960 PolarHBondContact N-O 3.28Å; I1938-Y1960 HydrophobicContact CD1-CD1 3.99Å; I1938-Y1960 WeakPolarHBondContact CD1-O 3.26Å; I1938-Y1960 HydrophobicContact CG1-CD1 4.19Å; I1938-Y1960 HydrophobicContact CG1-CE1 4.25Å; I1938-Y1960 HydrophobicContact CG2-CD1 4.46Å; I1938-Y1960 HydrophobicContact CG2-CE1 4.11Å; E1942-Y1960 HydrophobicContact CG-CE1 4.36Å; E1942-Y1960 PolarHBondContact OE1-OH 3.46Å; E1942-Y1960 VanDerWaalsContact OE1-OH 3.11Å; A1946-Y1960 HydrophobicContact CB-CD1 4.31Å; A1946-Y1960 HydrophobicContact CB-CD2 4.15Å; A1946-Y1960 HydrophobicContact CB-CE1 3.93Å; A1946-Y1960 HydrophobicContact CB-CE2 3.79Å; A1946-Y1960 HydrophobicContact CB-CG 4.4Å
1961A87.1Confident80.9Confident3 Ų331 Ų313%0.02519%0.185CC..  trans-148.2139.5-169.400000112.4R1190 L1192 A1880 I1963R1190-A1961 PolarHBondContact O-N 2.96Å; L1192-A1961 HydrophobicContact CD1-CB 3.96Å; A1880-A1961 HydrophobicContact CB-CB 4.22Å; A1961-I1963 HydrophobicContact CB-CG2 4.17Å; A1961-I1963 PolarHBondContact O-N 3.18Å
1962P80.6Confident80.3Confident9 Ų931.4 Ų31.46%0.05819%0.187CC..SBendtrans-83.659.9-175.637.4-38.7000112.4R1190 A1936 T1966R1190-P1962 VanDerWaalsContact CD-CA 3.42Å; R1190-P1962 VanDerWaalsContact CZ-CB 3.48Å; A1936-P1962 VanDerWaalsContact C-CG 3.42Å; A1936-P1962 HydrophobicContact CB-CB 4.04Å; A1936-P1962 HydrophobicContact CB-CG 4.09Å; A1936-P1962 WeakPolarHBondContact CB-O 3.42Å; A1936-P1962 VanDerWaalsContact O-CG 3.26Å; A1936-P1962 WeakPolarHBondContact O-CG 3.38Å; P1962-T1966 WeakPolarHBondContact O-CG2 3.47Å
1963I73.2Confident79.7Confident22 Ų2230.8 Ų30.811%0.11319%0.193CC..  trans-108.4-16.5-17364.9170.2000115.3L1192 L1379 A1961 G1965 T1966 W1968 L1969L1192-I1963 HydrophobicContact CD1-CD1 3.4Å; L1192-I1963 VanDerWaalsContact CD1-CD1 3.4Å; L1192-I1963 HydrophobicContact CD1-CG1 3.8Å; L1192-I1963 HydrophobicContact CD2-CD1 4.06Å; L1192-I1963 HydrophobicContact CD2-CG1 4.24Å; L1192-I1963 HydrophobicContact CG-CD1 4.37Å; L1379-I1963 HydrophobicContact CD2-CD1 4.4Å; A1961-I1963 HydrophobicContact CB-CG2 4.17Å; A1961-I1963 PolarHBondContact O-N 3.18Å; I1963-G1965 PolarHBondContact O-N 2.97Å; I1963-T1966 WeakPolarHBondContact O-CB 3.46Å; I1963-T1966 WeakPolarHBondContact O-CG2 3.42Å; I1963-T1966 PolarHBondContact O-N 3.08Å; I1963-T1966 PolarHBondContact O-OG1 3.33Å; I1963-W1968 HydrophobicContact CB-CZ3 4.33Å; I1963-W1968 HydrophobicContact CD1-CZ3 4.12Å; I1963-W1968 HydrophobicContact CG2-CE3 4.36Å; I1963-W1968 HydrophobicContact CG2-CZ3 4.17Å; I1963-L1969 HydrophobicContact CB-CD2 4.44Å; I1963-L1969 HydrophobicContact CD1-CD1 4.2Å; I1963-L1969 HydrophobicContact CD1-CD2 4.29Å; I1963-L1969 HydrophobicContact CG1-CD2 4.14Å; I1963-L1969 WeakPolarHBondContact O-CB 3.48Å; I1963-L1969 VanDerWaalsContact O-CD2 3.28Å; I1963-L1969 WeakPolarHBondContact O-CD2 3.43Å
1964M67.5Low79.1Confident62 Ų6236.6 Ų36.631%0.30522%0.221SC..THydrogen-bonded Turntrans-59.6130.1176.3-82.4-126.7-8700110.9E1189 P1381 T1966 F1982E1189-M1964 HydrophobicContact CB-CE 3.91Å; E1189-M1964 HydrophobicContact CG-CE 4.06Å; E1189-M1964 VanDerWaalsContact O-CE 3.31Å; E1189-M1964 WeakPolarHBondContact O-CE 3.32Å; E1189-M1964 WeakPolarHBondContact O-CG 3.37Å; P1381-M1964 HydrophobicContact CG-SD 4.15Å; M1964-T1966 VanDerWaalsContact C-N 3.27Å; M1964-T1966 PolarHBondContact O-N 2.95Å; M1964-F1982 HydrophobicContact CG-CD1 4.26Å; M1964-F1982 HydrophobicContact CG-CE1 3.89Å; M1964-F1982 HydrophobicContact SD-CD1 3.51Å; M1964-F1982 VanDerWaalsContact SD-CD1 3.51Å; M1964-F1982 HydrophobicContact SD-CE1 3.52Å; M1964-F1982 VanDerWaalsContact SD-CE1 3.52Å
1965G63.5Low78.8Confident45 Ų4539.1 Ų39.146%0.46422%0.22SC..THydrogen-bonded Turntrans79.5-8.6-174.100000115.8I1963I1963-G1965 PolarHBondContact O-N 2.97Å
1966T67.1Low78.6Confident27 Ų2738.8 Ų38.817%0.16622%0.22CC..  trans-75141.4-175.364.80000112.9A1936 P1962 I1963 M1964 W1968 L1969 T1970A1936-T1966 HydrophobicContact CB-CG2 4.45Å; P1962-T1966 WeakPolarHBondContact O-CG2 3.47Å; I1963-T1966 WeakPolarHBondContact O-CB 3.46Å; I1963-T1966 WeakPolarHBondContact O-CG2 3.42Å; I1963-T1966 PolarHBondContact O-N 3.08Å; I1963-T1966 PolarHBondContact O-OG1 3.33Å; M1964-T1966 VanDerWaalsContact C-N 3.27Å; M1964-T1966 PolarHBondContact O-N 2.95Å; T1966-W1968 PolarHBondContact O-N 3.15Å; T1966-L1969 WeakPolarHBondContact O-CB 3.34Å; T1966-L1969 PolarHBondContact O-N 3.02Å; T1966-L1969 PolarHBondContact OG1-N 3.24Å; T1966-T1970 PolarHBondContact O-N 3.33Å; T1966-T1970 PolarHBondContact O-OG1 2.88Å
1967P63.1Low78.3Confident85 Ų8543 Ų4355%0.55223%0.233SC*.Hα-helixtrans-58.2-31.4177.1-2735.2000114.1L1969 T1970 A1971P1967-L1969 VanDerWaalsContact C-N 3.34Å; P1967-T1970 PolarHBondContact O-N 3.41Å; P1967-A1971 WeakPolarHBondContact O-CB 3.24Å; P1967-A1971 PolarHBondContact O-N 2.96Å
1968W68.4Low78.1Confident93 Ų9342.2 Ų42.235%0.35223%0.229SC..Hα-helixtrans-64.5-36.9174.7169.192000112V1884 I1963 T1966 A1971 F1972V1884-W1968 HydrophobicContact CB-CH2 3.48Å; V1884-W1968 VanDerWaalsContact CB-CH2 3.48Å; V1884-W1968 HydrophobicContact CB-CZ2 3.75Å; V1884-W1968 HydrophobicContact CG1-CH2 3.67Å; V1884-W1968 HydrophobicContact CG1-CZ2 4.43Å; V1884-W1968 HydrophobicContact CG1-CZ3 4.44Å; V1884-W1968 HydrophobicContact CG2-CH2 3.67Å; V1884-W1968 HydrophobicContact CG2-CZ2 3.63Å; I1963-W1968 HydrophobicContact CB-CZ3 4.33Å; I1963-W1968 HydrophobicContact CD1-CZ3 4.12Å; I1963-W1968 HydrophobicContact CG2-CE3 4.36Å; I1963-W1968 HydrophobicContact CG2-CZ3 4.17Å; T1966-W1968 PolarHBondContact O-N 3.15Å; W1968-A1971 CarbonylContact O-C 3.53Å; W1968-A1971 PolarHBondContact O-N 2.9Å; W1968-F1972 HydrophobicContact CH2-CB 4.26Å; W1968-F1972 AromaticContact CH2-CD1 3.44Å; W1968-F1972 HydrophobicContact CH2-CD1 3.44Å; W1968-F1972 VanDerWaalsContact CH2-CD1 3.44Å; W1968-F1972 AromaticContact CH2-CE1 4Å; W1968-F1972 HydrophobicContact CH2-CE1 4Å; W1968-F1972 HydrophobicContact CH2-CG 4.09Å; W1968-F1972 HydrophobicContact CZ2-CB 4.34Å; W1968-F1972 AromaticContact CZ2-CD1 3.96Å; W1968-F1972 HydrophobicContact CZ2-CD1 3.96Å; W1968-F1972 HydrophobicContact CZ2-CE1 4.49Å; W1968-F1972 HydrophobicContact CZ2-CG 4.21Å; W1968-F1972 HydrophobicContact CZ3-CD1 4.21Å; W1968-F1972 WeakPolarHBondContact O-CB 3.46Å; W1968-F1972 PolarHBondContact O-N 3.26Å
1969L72.7Confident77.7Confident6 Ų642.2 Ų42.23%0.03123%0.229CC..Hα-helixtrans-70.9-38.9175.3178.259.8000111L1379 I1963 T1966 P1967 A1971 F1972 A1973 A1979 F1982L1379-L1969 HydrophobicContact CD2-CD1 4.33Å; I1963-L1969 HydrophobicContact CB-CD2 4.44Å; I1963-L1969 HydrophobicContact CD1-CD1 4.2Å; I1963-L1969 HydrophobicContact CD1-CD2 4.29Å; I1963-L1969 HydrophobicContact CG1-CD2 4.14Å; I1963-L1969 WeakPolarHBondContact O-CB 3.48Å; I1963-L1969 VanDerWaalsContact O-CD2 3.28Å; I1963-L1969 WeakPolarHBondContact O-CD2 3.43Å; T1966-L1969 WeakPolarHBondContact O-CB 3.34Å; T1966-L1969 PolarHBondContact O-N 3.02Å; T1966-L1969 PolarHBondContact OG1-N 3.24Å; P1967-L1969 VanDerWaalsContact C-N 3.34Å; L1969-A1971 PolarHBondContact O-N 3Å; L1969-F1972 HydrophobicContact CD1-CD1 4.24Å; L1969-F1972 WeakPolarHBondContact O-CA 3.43Å; L1969-F1972 WeakPolarHBondContact O-CB 3.46Å; L1969-F1972 PolarHBondContact O-N 2.86Å; L1969-F1972 VanDerWaalsContact O-N 3.08Å; L1969-A1973 PolarHBondContact O-N 2.76Å; L1969-A1979 HydrophobicContact CD1-CB 4.23Å; L1969-F1982 HydrophobicContact CD1-CE2 4.48Å; L1969-F1982 HydrophobicContact CD2-CE1 4.13Å; L1969-F1982 HydrophobicContact CD2-CE2 4.12Å; L1969-F1982 HydrophobicContact CD2-CZ 3.89Å
1970T70.5Confident77.2Confident76 Ų7646.7 Ų46.747%0.46625%0.251SS..Hα-helixtrans-62-43.1172.9-46.80000111.5T1966 P1967 F1972 A1973 Q1974T1966-T1970 PolarHBondContact O-N 3.33Å; T1966-T1970 PolarHBondContact O-OG1 2.88Å; P1967-T1970 PolarHBondContact O-N 3.41Å; T1970-F1972 PolarHBondContact O-N 3.16Å; T1970-A1973 PolarHBondContact O-N 2.93Å; T1970-Q1974 WeakPolarHBondContact O-CG 3.33Å; T1970-Q1974 PolarHBondContact O-N 3.44Å
1971A70.7Confident76.2Confident45 Ų4548.2 Ų48.237%0.37226%0.263SS..Hα-helixtrans-71.4-12.717400000113.8P1967 W1968 L1969 R1975P1967-A1971 WeakPolarHBondContact O-CB 3.24Å; P1967-A1971 PolarHBondContact O-N 2.96Å; W1968-A1971 CarbonylContact O-C 3.53Å; W1968-A1971 PolarHBondContact O-N 2.9Å; L1969-A1971 PolarHBondContact O-N 3Å; A1971-R1975 WeakPolarHBondContact O-CG 3.29Å; A1971-R1975 PolarHBondContact O-NH1 3.38Å
1972F78.4Confident75.5Confident11 Ų1150.6 Ų50.65%0.04827%0.273CS..Hα-helixtrans-82.9-48.7169.2-171.2-155.8000110.4L1379 V1884 W1968 L1969 T1970 Q1974 R1975 S1976 F1978 A1979L1379-F1972 HydrophobicContact CD2-CD1 4.35Å; L1379-F1972 HydrophobicContact CD2-CE1 3.96Å; V1884-F1972 HydrophobicContact CB-CE1 4.07Å; V1884-F1972 HydrophobicContact CG1-CE1 4.25Å; W1968-F1972 HydrophobicContact CH2-CB 4.26Å; W1968-F1972 AromaticContact CH2-CD1 3.44Å; W1968-F1972 HydrophobicContact CH2-CD1 3.44Å; W1968-F1972 VanDerWaalsContact CH2-CD1 3.44Å; W1968-F1972 AromaticContact CH2-CE1 4Å; W1968-F1972 HydrophobicContact CH2-CE1 4Å; W1968-F1972 HydrophobicContact CH2-CG 4.09Å; W1968-F1972 HydrophobicContact CZ2-CB 4.34Å; W1968-F1972 AromaticContact CZ2-CD1 3.96Å; W1968-F1972 HydrophobicContact CZ2-CD1 3.96Å; W1968-F1972 HydrophobicContact CZ2-CE1 4.49Å; W1968-F1972 HydrophobicContact CZ2-CG 4.21Å; W1968-F1972 HydrophobicContact CZ3-CD1 4.21Å; W1968-F1972 WeakPolarHBondContact O-CB 3.46Å; W1968-F1972 PolarHBondContact O-N 3.26Å; L1969-F1972 HydrophobicContact CD1-CD1 4.24Å; L1969-F1972 WeakPolarHBondContact O-CA 3.43Å; L1969-F1972 WeakPolarHBondContact O-CB 3.46Å; L1969-F1972 PolarHBondContact O-N 2.86Å; L1969-F1972 VanDerWaalsContact O-N 3.08Å; T1970-F1972 PolarHBondContact O-N 3.16Å; F1972-Q1974 PolarHBondContact O-N 3.07Å; F1972-R1975 VanDerWaalsContact CA-NH1 3.28Å; F1972-R1975 HydrophobicContact CD2-CG 4.39Å; F1972-R1975 PolarHBondContact O-N 3.12Å; F1972-S1976 PolarHBondContact O-N 3Å; F1972-F1978 AromaticContact CE1-CD1 3.96Å; F1972-F1978 HydrophobicContact CE1-CD1 3.96Å; F1972-F1978 HydrophobicContact CE1-CE1 4.49Å; F1972-F1978 AromaticContact CZ-CD1 3.67Å; F1972-F1978 HydrophobicContact CZ-CD1 3.67Å; F1972-F1978 HydrophobicContact CZ-CE1 4.34Å; F1972-A1979 HydrophobicContact CB-CB 4.33Å; F1972-A1979 HydrophobicContact CD1-CB 3.72Å; F1972-A1979 HydrophobicContact CE1-CB 4.16Å; F1972-A1979 HydrophobicContact CG-CB 3.94Å
1973A78.6Confident73.4Confident40 Ų4057.5 Ų57.533%0.33130%0.304SS..Hα-helixtrans-58.4-28.3173.800000113.8L1969 T1970 A1979L1969-A1973 PolarHBondContact O-N 2.76Å; T1970-A1973 PolarHBondContact O-N 2.93Å; A1973-A1979 HydrophobicContact CB-CB 4.13Å; A1973-A1979 WeakPolarHBondContact CB-O 3.41Å
1974Q77.9Confident70.7Confident160 Ų16060.4 Ų60.475%0.74833%0.331SS*.THydrogen-bonded Turntrans-77.9-24.1175.1-76.3175.9-4.900114.5T1970 F1972T1970-Q1974 WeakPolarHBondContact O-CG 3.33Å; T1970-Q1974 PolarHBondContact O-N 3.44Å; F1972-Q1974 PolarHBondContact O-N 3.07Å
1975R76.8Confident68.6Low88 Ų8860.8 Ų60.833%0.33234%0.337SS..THydrogen-bonded Turntrans-105.5-26-176.376.9179.3-178.5-90.62.9114.4S1332 A1971 F1972S1332-R1975 PolarHBondContact OG-NH2 2.86Å; A1971-R1975 WeakPolarHBondContact O-CG 3.29Å; A1971-R1975 PolarHBondContact O-NH1 3.38Å; F1972-R1975 VanDerWaalsContact CA-NH1 3.28Å; F1972-R1975 HydrophobicContact CD2-CG 4.39Å; F1972-R1975 PolarHBondContact O-N 3.12Å
1976S85.1Confident66.6Low7 Ų758.7 Ų58.75%0.04932%0.315CS..  trans-133.8128.9-169.7158.30000109.8D1365 F1972 F1978 A1979D1365-S1976 VanDerWaalsContact CG-OG 3.22Å; D1365-S1976 WeakPolarHBondContact OD2-CB 3.34Å; D1365-S1976 PolarHBondContact OD2-OG 2.82Å; F1972-S1976 PolarHBondContact O-N 3Å; S1976-F1978 PolarHBondContact O-N 2.69Å; S1976-F1978 WeakPolarHBondContact OG-CB 3.34Å; S1976-F1978 PolarHBondContact OG-N 2.97Å; S1976-A1979 PolarHBondContact O-N 3.31Å
1977R85.4Confident64.5Low103 Ų10357.4 Ų57.439%0.38931%0.307SS..G310 helixtrans-57.5-28.5177.2-79.2-71.4177177.52.4112.1Q1363 E1364 D1365 R1378 A1979 E1980Q1363-R1977 VanDerWaalsContact O-CG 3.27Å; Q1363-R1977 WeakPolarHBondContact O-CG 3.4Å; E1364-R1977 WeakPolarHBondContact OE2-CB 3.39Å; D1365-R1977 PolarHBondContact OD2-N 3.21Å; R1378-R1977 WeakPolarHBondContact CD-O 3.47Å; R1378-R1977 PolarHBondContact NE-O 3.06Å; R1977-A1979 PolarHBondContact O-N 3.47Å; R1977-A1979 VanDerWaalsContact O-N 3.1Å; R1977-E1980 IonicContact CZ-OE1 3.73Å; R1977-E1980 IonicContact NH1-OE1 3.68Å; R1977-E1980 PolarHBondContact NH1-OE1 3.28Å
1978F89.5Confident62.8Low4 Ų453.4 Ų53.42%0.01828%0.281CS..G310 helixtrans-49.6-32.9176.9-164.9-116.8000114.4I1194 D1365 A1377 R1378 L1379 F1972 S1976I1194-F1978 HydrophobicContact CD1-CZ 4.18Å; I1194-F1978 HydrophobicContact CG1-CE2 4.43Å; I1194-F1978 HydrophobicContact CG1-CZ 3.92Å; I1194-F1978 HydrophobicContact CG2-CE2 3.96Å; I1194-F1978 HydrophobicContact CG2-CZ 4.3Å; D1365-F1978 PolarHBondContact OD2-N 3.34Å; A1377-F1978 HydrophobicContact CB-CD2 3.87Å; A1377-F1978 HydrophobicContact CB-CE2 3.74Å; R1378-F1978 CarbonylContact C-O 3.56Å; R1378-F1978 WeakPolarHBondContact CA-O 3.39Å; L1379-F1978 HydrophobicContact CB-CD1 3.68Å; L1379-F1978 HydrophobicContact CB-CE1 3.69Å; L1379-F1978 HydrophobicContact CB-CG 4.29Å; L1379-F1978 HydrophobicContact CB-CZ 4.29Å; L1379-F1978 WeakPolarHBondContact CB-O 3.1Å; L1379-F1978 HydrophobicContact CD2-CD1 4.45Å; L1379-F1978 HydrophobicContact CD2-CE1 4.39Å; L1379-F1978 HydrophobicContact CG-CE1 4.44Å; L1379-F1978 PolarHBondContact N-O 3.25Å; F1972-F1978 AromaticContact CE1-CD1 3.96Å; F1972-F1978 HydrophobicContact CE1-CD1 3.96Å; F1972-F1978 HydrophobicContact CE1-CE1 4.49Å; F1972-F1978 AromaticContact CZ-CD1 3.67Å; F1972-F1978 HydrophobicContact CZ-CD1 3.67Å; F1972-F1978 HydrophobicContact CZ-CE1 4.34Å; S1976-F1978 PolarHBondContact O-N 2.69Å; S1976-F1978 WeakPolarHBondContact OG-CB 3.34Å; S1976-F1978 PolarHBondContact OG-N 2.97Å
1979A87.1Confident61Low0 Ų050.9 Ų50.90%027%0.273CS..G310 helixtrans-109.625.8-16600000117.1L1969 F1972 A1973 S1976 R1977 A1981L1969-A1979 HydrophobicContact CD1-CB 4.23Å; F1972-A1979 HydrophobicContact CB-CB 4.33Å; F1972-A1979 HydrophobicContact CD1-CB 3.72Å; F1972-A1979 HydrophobicContact CE1-CB 4.16Å; F1972-A1979 HydrophobicContact CG-CB 3.94Å; A1973-A1979 HydrophobicContact CB-CB 4.13Å; A1973-A1979 WeakPolarHBondContact CB-O 3.41Å; S1976-A1979 PolarHBondContact O-N 3.31Å; R1977-A1979 PolarHBondContact O-N 3.47Å; R1977-A1979 VanDerWaalsContact O-N 3.1Å; A1979-A1981 PolarHBondContact O-N 2.84Å; A1979-A1981 VanDerWaalsContact O-N 3.1Å
1980E83.4Confident58.8Low95 Ų9551.4 Ų51.444%0.44428%0.278SS..  trans-63.4-0.9-160-158.5159.1-144.200121.1R1378 R1977R1378-E1980 IonicContact CZ-OE2 2.72Å; R1378-E1980 IonicContact NE-OE2 3.5Å; R1378-E1980 PolarHBondContact NE-OE2 2.86Å; R1378-E1980 IonicContact NH2-OE2 3.53Å; R1378-E1980 PolarHBondContact NH2-OE2 3.35Å; R1378-E1980 VanDerWaalsContact NH2-OE2 3.08Å; R1977-E1980 IonicContact CZ-OE1 3.73Å; R1977-E1980 IonicContact NH1-OE1 3.68Å; R1977-E1980 PolarHBondContact NH1-OE1 3.28Å
1981A72.9Confident56.7Low32 Ų3250.7 Ų50.726%0.26428%0.279SS..  trans-136.163.1-142.700000124.7A1979A1979-A1981 PolarHBondContact O-N 2.84Å; A1979-A1981 VanDerWaalsContact O-N 3.1Å
1982F74.1Confident54.6Low52 Ų5253.7 Ų53.723%0.22829%0.293CS..  trans-143.70-169.8-60.9-93.6000120.4P1381 M1964 L1969P1381-F1982 HydrophobicContact CG-CD1 4.13Å; P1381-F1982 HydrophobicContact CG-CE1 3.65Å; P1381-F1982 HydrophobicContact CG-CZ 4.36Å; M1964-F1982 HydrophobicContact CG-CD1 4.26Å; M1964-F1982 HydrophobicContact CG-CE1 3.89Å; M1964-F1982 HydrophobicContact SD-CD1 3.51Å; M1964-F1982 VanDerWaalsContact SD-CD1 3.51Å; M1964-F1982 HydrophobicContact SD-CE1 3.52Å; M1964-F1982 VanDerWaalsContact SD-CE1 3.52Å; L1969-F1982 HydrophobicContact CD1-CE2 4.48Å; L1969-F1982 HydrophobicContact CD2-CE1 4.13Å; L1969-F1982 HydrophobicContact CD2-CE2 4.12Å; L1969-F1982 HydrophobicContact CD2-CZ 3.89Å
1983H35.5Very low51.7Low155 Ų15554.7 Ų54.772%0.71831%0.306SS*.  000-77.5-54000139.3N935N935-H1983 WeakPolarHBondContact CB-O 3.3Å
1984A17.5Very low49.1Very low82 Ų8257.1 Ų57.168%0.67831%0.309SS*.  00000000128.6
1985T22.9Very low48.9Very low71 Ų7154.1 Ų54.144%0.43629%0.294SS..BIsolated β-bridge00031.10000118.2V936 A937V936-T1985 CarbonylContact C-O 3.56Å; V936-T1985 VanDerWaalsContact CA-N 3.32Å; V936-T1985 WeakPolarHBondContact CA-O 3.42Å; V936-T1985 WeakPolarHBondContact CG1-OG1 3.39Å; V936-T1985 VanDerWaalsContact CG2-OG1 3.27Å; V936-T1985 WeakPolarHBondContact CG2-OG1 3.31Å; A937-T1985 PolarHBondContact N-O 3.07Å; A937-T1985 CarbonylContact O-C 3.55Å; A937-T1985 VanDerWaalsContact O-C 3.29Å; A937-T1985 VanDerWaalsContact O-O 3.13Å
1986G20.2Very low48.7Very low0 Ų054.3 Ų54.30%030%0.301CS..  00000000132.9A937 A938 F939 L971 L972 L973A937-G1986 WeakPolarHBondContact O-CA 3.3Å; A937-G1986 PolarHBondContact O-N 2.95Å; A938-G1986 WeakPolarHBondContact CA-O 3.46Å; F939-G1986 PolarHBondContact N-O 2.89Å; L971-G1986 CarbonylContact C-O 3.58Å; L971-G1986 CarbonylContact O-C 3.19Å; L971-G1986 WeakPolarHBondContact O-CA 3.44Å; L972-G1986 VanDerWaalsContact CD2-CA 3.47Å; L972-G1986 VanDerWaalsContact N-C 3.31Å; L973-G1986 WeakPolarHBondContact CD2-O 3.37Å; L973-G1986 WeakPolarHBondContact CG-O 3.47Å
1987Q24Very low48Very low0 Ų058.3 Ų58.30%033%0.334CS..  000-62.2125.614.100137.7V920 G921 L971 L972 L973 D974 T977V920-Q1987 PolarHBondContact O-NE2 3.36Å; G921-Q1987 VanDerWaalsContact C-NE2 3.26Å; L971-Q1987 CarbonylContact C-O 3.53Å; L971-Q1987 WeakPolarHBondContact CD1-O 3.38Å; L971-Q1987 WeakPolarHBondContact CG-O 3.49Å; L971-Q1987 PolarHBondContact O-N 3.23Å; L972-Q1987 CarbonylContact C-O 3.57Å; L972-Q1987 WeakPolarHBondContact CA-O 3.36Å; L972-Q1987 PolarHBondContact N-O 3.3Å; L972-Q1987 CarbonylContact O-C 3.42Å; L972-Q1987 WeakPolarHBondContact O-CA 3.43Å; L972-Q1987 VanDerWaalsContact O-CB 3.25Å; L972-Q1987 WeakPolarHBondContact O-CB 3.34Å; L972-Q1987 PolarHBondContact O-N 3.39Å; L973-Q1987 VanDerWaalsContact CA-N 3.35Å; L973-Q1987 HydrophobicContact CB-CB 4.25Å; L973-Q1987 HydrophobicContact CB-CG 4.29Å; L973-Q1987 HydrophobicContact CD2-CB 4.2Å; L973-Q1987 HydrophobicContact CD2-CG 3.49Å; L973-Q1987 VanDerWaalsContact CD2-CG 3.49Å; L973-Q1987 HydrophobicContact CG-CG 4.27Å; L973-Q1987 VanDerWaalsContact N-N 3.13Å; D974-Q1987 PolarHBondContact O-OE1 3.01Å; T977-Q1987 VanDerWaalsContact CB-CB 3.48Å; T977-Q1987 HydrophobicContact CG2-CB 3.96Å; T977-Q1987 WeakPolarHBondContact OG1-CB 3.42Å; T977-Q1987 PolarHBondContact OG1-OE1 2.73Å
1988N27.4Very low47.5Very low1 Ų159 Ų591%0.00534%0.342CS..  000-9331000138V920 T977 V978 V979 S997V920-N1988 WeakPolarHBondContact CG2-ND2 3.39Å; V920-N1988 WeakPolarHBondContact CG2-OD1 3.37Å; T977-N1988 HydrophobicContact CG2-CB 3.57Å; T977-N1988 PolarHBondContact O-ND2 2.95Å; V978-N1988 WeakPolarHBondContact CA-ND2 3.49Å; V978-N1988 VanDerWaalsContact N-CB 3.26Å; V978-N1988 PolarHBondContact N-ND2 2.9Å; V978-N1988 CarbonylContact O-C 3.54Å; V978-N1988 WeakPolarHBondContact O-CB 3.35Å; V979-N1988 HydrophobicContact CG1-CB 4.36Å; V979-N1988 VanDerWaalsContact CG1-OD1 3.31Å; V979-N1988 WeakPolarHBondContact CG1-OD1 3.45Å; V979-N1988 PolarHBondContact N-ND2 3.42Å; S997-N1988 WeakPolarHBondContact CA-O 3.5Å; S997-N1988 WeakPolarHBondContact CB-O 3.4Å
1989Q30Very low46.9Very low40 Ų4060.3 Ų60.319%0.18735%0.349CS..  000-132.3-167.119.400136.6Q917 V978 V979 S980 E996 S997 H998Q917-Q1989 HydrophobicContact CG-CG 4.39Å; V978-Q1989 HydrophobicContact CB-CB 4.36Å; V978-Q1989 HydrophobicContact CB-CG 3.71Å; V978-Q1989 VanDerWaalsContact CB-NE2 3.33Å; V978-Q1989 HydrophobicContact CG2-CB 3.92Å; V978-Q1989 HydrophobicContact CG2-CG 3.62Å; V978-Q1989 VanDerWaalsContact CG2-NE2 3.31Å; V978-Q1989 WeakPolarHBondContact O-CA 3.32Å; V978-Q1989 WeakPolarHBondContact O-CB 3.33Å; V978-Q1989 WeakPolarHBondContact O-CG 3.45Å; V978-Q1989 PolarHBondContact O-N 3.41Å; V979-Q1989 WeakPolarHBondContact O-CG 3.42Å; S980-Q1989 PolarHBondContact OG-O 2.79Å; E996-Q1989 CarbonylContact C-O 3.58Å; E996-Q1989 CarbonylContact O-C 3.5Å; S997-Q1989 CarbonylContact C-O 3.59Å; S997-Q1989 WeakPolarHBondContact CA-O 3.37Å; S997-Q1989 PolarHBondContact N-O 3.41Å; S997-Q1989 VanDerWaalsContact N-O 3.07Å; H998-Q1989 HydrophobicContact CB-CB 4Å; H998-Q1989 VanDerWaalsContact CD2-C 3.49Å; H998-Q1989 PolarHBondContact CD2-O 3.08Å; H998-Q1989 VanDerWaalsContact N-C 3.31Å; H998-Q1989 VanDerWaalsContact N-CA 3.31Å; H998-Q1989 PolarHBondContact N-O 3.18Å
1990P28.1Very low46.4Very low18 Ų1863.2 Ų63.212%0.11738%0.379CS..  00051.1-27.2000130.2Q917 H998Q917-P1990 HydrophobicContact CB-CB 4.4Å; Q917-P1990 HydrophobicContact CG-CB 4.05Å; Q917-P1990 HydrophobicContact CG-CG 3.9Å; H998-P1990 PolarHBondContact CE1-O 3.36Å; H998-P1990 WeakPolarHBondContact ND1-CD 3.44Å; H998-P1990 PolarHBondContact NE2-O 3.02Å
1991A24.9Very low46.1Very low60 Ų6063.2 Ų63.250%0.49639%0.389SS..  00000000124.1V915V915-A1991 WeakPolarHBondContact CG1-O 3.43Å
1992T26.3Very low46.4Very low109 Ų10964.1 Ų64.167%0.66939%0.39SS*.  00046.20000124.4L907 V915L907-T1992 HydrophobicContact CD1-CG2 4.48Å; L907-T1992 HydrophobicContact CD2-CG2 4.31Å; V915-T1992 HydrophobicContact CG2-CG2 3.82Å
1993G19.3Very low46.6Very low31 Ų3164.8 Ų64.832%0.3240%0.399SS..  00000000129.2R1646R1646-G1993 PolarHBondContact NH1-O 3.39Å
1994K22.1Very low48.4Very low91 Ų9163 Ų6340%0.39639%0.386SS..  0-168.20-146.2-132-144.7150.10120.3L908 E909 E910L908-K1994 WeakPolarHBondContact O-CD 3.42Å; L908-K1994 WeakPolarHBondContact O-CE 3.14Å; L908-K1994 PolarHBondContact O-NZ 2.87Å; E909-K1994 HydrophobicContact CB-CB 3.75Å; E909-K1994 HydrophobicContact CB-CD 4.33Å; E909-K1994 HydrophobicContact CB-CG 3.69Å; E910-K1994 IonicContact OE1-NZ 3.69Å; E910-K1994 PolarHBondContact OE1-NZ 2.84Å
1995F75.1Confident51.1Low98 Ų9867.9 Ų67.943%0.4340%0.395SS..  trans98.3-173161.6-139.5-110.6000124.2E2053F1995-E2053 HydrophobicContact CD1-CB 4.03Å; F1995-E2053 WeakPolarHBondContact CD1-O 3.34Å; F1995-E2053 WeakPolarHBondContact CD1-OE2 3.3Å; F1995-E2053 HydrophobicContact CE1-CB 4.35Å; F1995-E2053 VanDerWaalsContact CG-OE2 3.28Å; F1995-E2053 WeakPolarHBondContact CG-OE2 3.38Å
1996L71.7Confident53.7Low92 Ų9269 Ų6948%0.48240%0.395SS..  trans85.8-4.6178.9-116.7172.5000122.8T2054L1996-T2054 WeakPolarHBondContact CD1-O 3.5Å
1997A71.5Confident56.6Low90 Ų9069.6 Ų69.674%0.74440%0.398SS*.  trans-80.3-31.9-162.400000118
1998E73.9Confident59.2Low118 Ų11871.3 Ų71.355%0.55141%0.409SS*.G310 helixtrans-68.2-44.9-164.6-170.6-179.5173.400113.6G2000 S2001E1998-G2000 PolarHBondContact O-N 3.28Å; E1998-G2000 VanDerWaalsContact O-N 3.14Å; E1998-S2001 WeakPolarHBondContact O-CB 3.41Å; E1998-S2001 PolarHBondContact O-N 2.97Å; E1998-S2001 VanDerWaalsContact O-N 3.09Å; E1998-S2001 PolarHBondContact O-OG 2.99Å
1999L77Confident61.7Low31 Ų3177.2 Ų77.216%0.16243%0.431CS..G310 helixtrans-61.5-29.1-171.8-152.389.8000113.5S2001 L2002 W2007 T2010 V2011 L2077L1999-S2001 PolarHBondContact O-N 3.4Å; L1999-L2002 PolarHBondContact O-N 3.41Å; L1999-W2007 HydrophobicContact CD2-CD2 4.39Å; L1999-W2007 PolarHBondContact O-NE1 3.36Å; L1999-T2010 HydrophobicContact CD1-CG2 3.6Å; L1999-V2011 HydrophobicContact CD1-CG2 3.81Å; L1999-V2011 HydrophobicContact CD2-CG2 3.86Å; L1999-V2011 HydrophobicContact CG-CG2 4.48Å; L1999-L2077 HydrophobicContact CD2-CD1 3.59Å
2000G76.5Confident64.1Low62 Ų6276.6 Ų76.664%0.63943%0.43SS*.G310 helixtrans-70-9.4179.800000114.6E1998E1998-G2000 PolarHBondContact O-N 3.28Å; E1998-G2000 VanDerWaalsContact O-N 3.14Å
2001S78.3Confident66.8Low94 Ų9475.8 Ų75.866%0.65742%0.424SS*.G310 helixtrans-87.4-17.7177.968.30000114.2E1998 L1999E1998-S2001 WeakPolarHBondContact O-CB 3.41Å; E1998-S2001 PolarHBondContact O-N 2.97Å; E1998-S2001 VanDerWaalsContact O-N 3.09Å; E1998-S2001 PolarHBondContact O-OG 2.99Å; L1999-S2001 PolarHBondContact O-N 3.4Å
2002L79.1Confident69.5Low52 Ų5274.7 Ų74.727%0.27241%0.407SS..SBendtrans-94.2149.8-171.6-62.2178.1000113L1999 W2007 T2010L1999-L2002 PolarHBondContact O-N 3.41Å; L2002-W2007 PolarHBondContact O-NE1 3.5Å; L2002-W2007 VanDerWaalsContact O-NE1 3.11Å; L2002-T2010 HydrophobicContact CD1-CG2 3.85Å; L2002-T2010 WeakPolarHBondContact CD1-OG1 3.13Å
2003P78.5Confident72.1Confident65 Ų6576.6 Ų76.642%0.42240%0.402SS..  trans-54.6142.2168-23.634.5000111.8E2005 E2006 W2007P2003-E2005 PolarHBondContact O-N 3.01Å; P2003-E2005 VanDerWaalsContact O-N 3.08Å; P2003-E2006 WeakPolarHBondContact CG-OE1 3.39Å; P2003-E2006 PolarHBondContact O-N 3.46Å; P2003-W2007 PolarHBondContact O-N 3.31Å
2004R72.6Confident75.2Confident117 Ų11777.2 Ų77.244%0.44240%0.398SS..THydrogen-bonded Turntrans-57.4-26.6178.5-86.4-170.4175.7-169.20.9113.8E2006 W2007 Q2081 S2082R2004-E2006 VanDerWaalsContact C-N 3.25Å; R2004-E2006 PolarHBondContact O-N 3.45Å; R2004-W2007 HydrophobicContact CG-CD2 4.16Å; R2004-W2007 HydrophobicContact CG-CE3 4.46Å; R2004-W2007 HydrophobicContact CG-CH2 4.43Å; R2004-W2007 HydrophobicContact CG-CZ2 4.08Å; R2004-W2007 PolarHBondContact O-N 3.21Å; R2004-Q2081 VanDerWaalsContact NH2-OE1 3.11Å; R2004-S2082 PolarHBondContact NH1-OG 2.76Å; R2004-S2082 PolarHBondContact NH2-OG 3.37Å
2005E73.2Confident78.1Confident185 Ų18572.9 Ų72.986%0.86438%0.379SS*.THydrogen-bonded Turntrans-66.9-26.9176.9-65169.5-123.500112.3P2003P2003-E2005 PolarHBondContact O-N 3.01Å; P2003-E2005 VanDerWaalsContact O-N 3.08Å
2006E77.6Confident78.3Confident96 Ų9669.5 Ų69.545%0.44937%0.368SS..THydrogen-bonded Turntrans-90.6-19.8178.4-66177.4-144.300113.1P2003 R2004 P2008 R2009 T2010P2003-E2006 WeakPolarHBondContact CG-OE1 3.39Å; P2003-E2006 PolarHBondContact O-N 3.46Å; R2004-E2006 VanDerWaalsContact C-N 3.25Å; R2004-E2006 PolarHBondContact O-N 3.45Å; E2006-P2008 VanDerWaalsContact C-CD 3.48Å; E2006-P2008 VanDerWaalsContact C-N 3.35Å; E2006-R2009 WeakPolarHBondContact O-CA 3.42Å; E2006-R2009 WeakPolarHBondContact O-CB 2.96Å; E2006-R2009 PolarHBondContact O-N 2.86Å; E2006-T2010 PolarHBondContact O-N 2.86Å; E2006-T2010 VanDerWaalsContact O-N 3.08Å; E2006-T2010 PolarHBondContact O-OG1 3Å
2007W82.6Confident78.6Confident12 Ų1268.6 Ų68.65%0.04536%0.364CS..Hα-helixtrans-50.9-45-179.1-71.916.2000113.8L1999 L2002 P2003 R2004 R2009 T2010 V2011 C2074 L2077 A2078 Q2081L1999-W2007 HydrophobicContact CD2-CD2 4.39Å; L1999-W2007 PolarHBondContact O-NE1 3.36Å; L2002-W2007 PolarHBondContact O-NE1 3.5Å; L2002-W2007 VanDerWaalsContact O-NE1 3.11Å; P2003-W2007 PolarHBondContact O-N 3.31Å; R2004-W2007 HydrophobicContact CG-CD2 4.16Å; R2004-W2007 HydrophobicContact CG-CE3 4.46Å; R2004-W2007 HydrophobicContact CG-CH2 4.43Å; R2004-W2007 HydrophobicContact CG-CZ2 4.08Å; R2004-W2007 PolarHBondContact O-N 3.21Å; W2007-R2009 PolarHBondContact O-N 3.49Å; W2007-R2009 VanDerWaalsContact O-N 3.16Å; W2007-T2010 PolarHBondContact O-N 3.43Å; W2007-T2010 VanDerWaalsContact O-N 3.16Å; W2007-V2011 WeakPolarHBondContact O-CB 3.26Å; W2007-V2011 WeakPolarHBondContact O-CG2 3.45Å; W2007-V2011 PolarHBondContact O-N 3.48Å; W2007-C2074 VanDerWaalsContact C-SG 3.55Å; W2007-C2074 PolarHBondContact O-SG 2.87Å; W2007-L2077 HydrophobicContact CE3-CB 4.37Å; W2007-L2077 HydrophobicContact CH2-CB 4.49Å; W2007-L2077 HydrophobicContact CZ3-CB 3.75Å; W2007-A2078 HydrophobicContact CZ3-CB 4.22Å; W2007-Q2081 HydrophobicContact CH2-CG 4.12Å; W2007-Q2081 VanDerWaalsContact CH2-OE1 3.29Å
2008P78.7Confident79Confident36 Ų3665.1 Ų65.123%0.23433%0.332CS..Hα-helixtrans-64.1-21.3179.4-22.436.1000113.3E2006 R2012 C2074E2006-P2008 VanDerWaalsContact C-CD 3.48Å; E2006-P2008 VanDerWaalsContact C-N 3.35Å; P2008-R2012 WeakPolarHBondContact O-CB 3.43Å; P2008-R2012 VanDerWaalsContact O-CG 3.29Å; P2008-R2012 WeakPolarHBondContact O-CG 3.24Å; P2008-R2012 PolarHBondContact O-N 3.17Å; P2008-R2012 PolarHBondContact O-NE 3.4Å; P2008-R2012 PolarHBondContact O-NH2 2.87Å; P2008-C2074 VanDerWaalsContact CA-SG 3.57Å
2009R78.2Confident79.2Confident124 Ų12459.5 Ų59.547%0.46831%0.306SS..Hα-helixtrans-79.4-48.4172-173.2177.3-177.368.815.7110.6D822 E2006 W2007 R2012 R2013D822-R2009 VanDerWaalsContact CG-NH1 3.31Å; D822-R2009 IonicContact OD1-CZ 3.67Å; D822-R2009 VanDerWaalsContact OD1-CZ 3.24Å; D822-R2009 IonicContact OD1-NH1 3.96Å; D822-R2009 PolarHBondContact OD1-NH1 3.15Å; D822-R2009 IonicContact OD1-NH2 2.64Å; D822-R2009 PolarHBondContact OD1-NH2 3.15Å; D822-R2009 IonicContact OD2-CZ 3.63Å; D822-R2009 IonicContact OD2-NH1 3.32Å; D822-R2009 PolarHBondContact OD2-NH1 3.39Å; D822-R2009 IonicContact OD2-NH2 3.84Å; E2006-R2009 WeakPolarHBondContact O-CA 3.42Å; E2006-R2009 WeakPolarHBondContact O-CB 2.96Å; E2006-R2009 PolarHBondContact O-N 2.86Å; W2007-R2009 PolarHBondContact O-N 3.49Å; W2007-R2009 VanDerWaalsContact O-N 3.16Å; R2009-R2012 PolarHBondContact O-N 3.33Å; R2009-R2013 PolarHBondContact O-N 3Å
2010T80.2Confident78.9Confident27 Ų2759.6 Ų59.617%0.16631%0.309CS..Hα-helixtrans-67.6-40.8-177.6-50.60000112.6L1999 L2002 E2006 W2007 R2013 L2014L1999-T2010 HydrophobicContact CD1-CG2 3.6Å; L2002-T2010 HydrophobicContact CD1-CG2 3.85Å; L2002-T2010 WeakPolarHBondContact CD1-OG1 3.13Å; E2006-T2010 PolarHBondContact O-N 2.86Å; E2006-T2010 VanDerWaalsContact O-N 3.08Å; E2006-T2010 PolarHBondContact O-OG1 3Å; W2007-T2010 PolarHBondContact O-N 3.43Å; W2007-T2010 VanDerWaalsContact O-N 3.16Å; T2010-R2013 PolarHBondContact O-N 3.49Å; T2010-L2014 PolarHBondContact O-N 2.93Å
2011V84.8Confident78.5Confident1 Ų161.9 Ų61.91%0.00631%0.306CS..Hα-helixtrans-70.7-36173.9-178.30000111L1999 W2007 R2013 L2014 V2015 A2070 V2073 C2074 L2077L1999-V2011 HydrophobicContact CD1-CG2 3.81Å; L1999-V2011 HydrophobicContact CD2-CG2 3.86Å; L1999-V2011 HydrophobicContact CG-CG2 4.48Å; W2007-V2011 WeakPolarHBondContact O-CB 3.26Å; W2007-V2011 WeakPolarHBondContact O-CG2 3.45Å; W2007-V2011 PolarHBondContact O-N 3.48Å; V2011-R2013 VanDerWaalsContact C-N 3.29Å; V2011-R2013 PolarHBondContact O-N 3.44Å; V2011-L2014 PolarHBondContact O-N 3.49Å; V2011-V2015 HydrophobicContact CG1-CG2 4.15Å; V2011-V2015 WeakPolarHBondContact O-CB 3.28Å; V2011-V2015 VanDerWaalsContact O-CG2 3.29Å; V2011-V2015 WeakPolarHBondContact O-CG2 3.33Å; V2011-V2015 PolarHBondContact O-N 3.4Å; V2011-A2070 HydrophobicContact CB-CB 4.38Å; V2011-A2070 HydrophobicContact CG1-CB 3.9Å; V2011-V2073 HydrophobicContact CG1-CB 3.91Å; V2011-V2073 HydrophobicContact CG1-CG1 3.69Å; V2011-C2074 VanDerWaalsContact CG2-SG 3.52Å; V2011-L2077 HydrophobicContact CG2-CD1 4.21Å
2012R83.1Confident78Confident37 Ų3759.1 Ų59.114%0.1428%0.284CS..Hα-helixtrans-59.5-40.8169.4-93.4-179-87.7151.8-5.8111.6P2008 R2009 S2016 A2070P2008-R2012 WeakPolarHBondContact O-CB 3.43Å; P2008-R2012 VanDerWaalsContact O-CG 3.29Å; P2008-R2012 WeakPolarHBondContact O-CG 3.24Å; P2008-R2012 PolarHBondContact O-N 3.17Å; P2008-R2012 PolarHBondContact O-NE 3.4Å; P2008-R2012 PolarHBondContact O-NH2 2.87Å; R2009-R2012 PolarHBondContact O-N 3.33Å; R2012-S2016 WeakPolarHBondContact O-CB 3.29Å; R2012-S2016 PolarHBondContact O-N 3.47Å; R2012-A2070 HydrophobicContact CB-CB 4.13Å; R2012-A2070 HydrophobicContact CG-CB 3.47Å; R2012-A2070 VanDerWaalsContact CG-CB 3.47Å
2013R80.8Confident77.4Confident149 Ų14957.2 Ų57.256%0.56227%0.274SS*.Hα-helixtrans-62.8-52.5175-151.9-17572.4-152.8-3.9110.7R2009 T2010 V2011 V2015 S2016 D2017R2009-R2013 PolarHBondContact O-N 3Å; T2010-R2013 PolarHBondContact O-N 3.49Å; V2011-R2013 VanDerWaalsContact C-N 3.29Å; V2011-R2013 PolarHBondContact O-N 3.44Å; R2013-V2015 VanDerWaalsContact C-N 3.34Å; R2013-V2015 PolarHBondContact O-N 3.03Å; R2013-S2016 CarbonylContact O-C 3.59Å; R2013-S2016 PolarHBondContact O-N 3.44Å; R2013-S2016 VanDerWaalsContact O-N 3.13Å; R2013-D2017 IonicContact NE-OD2 2.74Å; R2013-D2017 VanDerWaalsContact O-CB 3.31Å; R2013-D2017 WeakPolarHBondContact O-CB 3.44Å; R2013-D2017 PolarHBondContact O-N 3.47Å
2014L83Confident76.6Confident44 Ų4462.4 Ų62.423%0.2329%0.285CS..Hα-helixtrans-52.4-48.1175.9175.165.8000113T2010 V2011 D2017 Q2018 T2054T2010-L2014 PolarHBondContact O-N 2.93Å; V2011-L2014 PolarHBondContact O-N 3.49Å; L2014-D2017 PolarHBondContact O-N 3.4Å; L2014-Q2018 HydrophobicContact CD1-CG 4.06Å; L2014-Q2018 WeakPolarHBondContact O-CB 3.45Å; L2014-Q2018 VanDerWaalsContact O-CG 3.29Å; L2014-Q2018 WeakPolarHBondContact O-CG 3.4Å; L2014-Q2018 PolarHBondContact O-N 3.04Å; L2014-T2054 HydrophobicContact CD2-CG2 3.58Å
2015V83.5Confident76.1Confident0 Ų059.5 Ų59.50%027%0.274CS..Hα-helixtrans-68-42.2-179.5177.40000110.3V2011 R2013 Q2018 I2019 I2050 V2066 L2069 A2070V2011-V2015 HydrophobicContact CG1-CG2 4.15Å; V2011-V2015 WeakPolarHBondContact O-CB 3.28Å; V2011-V2015 VanDerWaalsContact O-CG2 3.29Å; V2011-V2015 WeakPolarHBondContact O-CG2 3.33Å; V2011-V2015 PolarHBondContact O-N 3.4Å; R2013-V2015 VanDerWaalsContact C-N 3.34Å; R2013-V2015 PolarHBondContact O-N 3.03Å; V2015-Q2018 PolarHBondContact O-N 3.19Å; V2015-I2019 HydrophobicContact CG1-CD1 3.65Å; V2015-I2019 HydrophobicContact CG1-CG1 4.42Å; V2015-I2019 WeakPolarHBondContact O-CD1 3.3Å; V2015-I2019 WeakPolarHBondContact O-CG1 3.38Å; V2015-I2019 PolarHBondContact O-N 2.95Å; V2015-I2050 HydrophobicContact CG1-CD1 4.32Å; V2015-I2050 HydrophobicContact CG2-CD1 4.01Å; V2015-V2066 HydrophobicContact CB-CG1 4.08Å; V2015-V2066 HydrophobicContact CG1-CG1 3.84Å; V2015-L2069 HydrophobicContact CG1-CB 4.33Å; V2015-L2069 HydrophobicContact CG1-CD2 3.69Å; V2015-L2069 HydrophobicContact CG1-CG 3.96Å; V2015-L2069 HydrophobicContact CG2-CG 4.46Å; V2015-A2070 HydrophobicContact CB-CB 4.39Å; V2015-A2070 HydrophobicContact CG2-CB 4.13Å
2016S79.4Confident75.6Confident28 Ų2856.6 Ų56.620%0.19627%0.269CS..Hα-helixtrans-61.9-45.1174.6-163.20000111.9R2012 R2013 I2019 S2020R2012-S2016 WeakPolarHBondContact O-CB 3.29Å; R2012-S2016 PolarHBondContact O-N 3.47Å; R2013-S2016 CarbonylContact O-C 3.59Å; R2013-S2016 PolarHBondContact O-N 3.44Å; R2013-S2016 VanDerWaalsContact O-N 3.13Å; S2016-I2019 PolarHBondContact O-N 3.38Å; S2016-S2020 WeakPolarHBondContact O-CB 3.41Å; S2016-S2020 PolarHBondContact O-N 3.04Å; S2016-S2020 PolarHBondContact O-OG 3.05Å
2017D77.9Confident75.1Confident72 Ų7252.3 Ų52.339%0.38525%0.249SC..Hα-helixtrans-62.4-47.6179.3-63.7-21.6000110.2R2013 L2014 I2019 S2020 L2021R2013-D2017 IonicContact NE-OD2 2.74Å; R2013-D2017 VanDerWaalsContact O-CB 3.31Å; R2013-D2017 WeakPolarHBondContact O-CB 3.44Å; R2013-D2017 PolarHBondContact O-N 3.47Å; L2014-D2017 PolarHBondContact O-N 3.4Å; D2017-I2019 PolarHBondContact O-N 3.1Å; D2017-S2020 PolarHBondContact O-N 3.47Å; D2017-L2021 WeakPolarHBondContact O-CB 3.18Å; D2017-L2021 VanDerWaalsContact O-CG 3.24Å; D2017-L2021 WeakPolarHBondContact O-CG 3.43Å; D2017-L2021 PolarHBondContact O-N 3.22Å
2018Q80.7Confident74.4Confident18 Ų1852.6 Ų52.68%0.08425%0.252CS..Hα-helixtrans-66.7-34.8178.7-70.9-69.5-12.200113.1L2014 V2015 L2022 L2046L2014-Q2018 HydrophobicContact CD1-CG 4.06Å; L2014-Q2018 WeakPolarHBondContact O-CB 3.45Å; L2014-Q2018 VanDerWaalsContact O-CG 3.29Å; L2014-Q2018 WeakPolarHBondContact O-CG 3.4Å; L2014-Q2018 PolarHBondContact O-N 3.04Å; V2015-Q2018 PolarHBondContact O-N 3.19Å; Q2018-L2022 WeakPolarHBondContact O-CG 3.39Å; Q2018-L2022 PolarHBondContact O-N 3.21Å; Q2018-L2046 HydrophobicContact CB-CD1 4.48Å
2019I77.3Confident74Confident0 Ų051.2 Ų51.20%024%0.242CC..Hα-helixtrans-77-36.9174.6-53.5160.8000110.8V2015 S2016 D2017 L2021 L2022 L2023 I2027 L2033 L2038 L2046 V2066V2015-I2019 HydrophobicContact CG1-CD1 3.65Å; V2015-I2019 HydrophobicContact CG1-CG1 4.42Å; V2015-I2019 WeakPolarHBondContact O-CD1 3.3Å; V2015-I2019 WeakPolarHBondContact O-CG1 3.38Å; V2015-I2019 PolarHBondContact O-N 2.95Å; S2016-I2019 PolarHBondContact O-N 3.38Å; D2017-I2019 PolarHBondContact O-N 3.1Å; I2019-L2021 PolarHBondContact O-N 3.32Å; I2019-L2022 WeakPolarHBondContact O-CA 3.22Å; I2019-L2022 WeakPolarHBondContact O-CB 3.37Å; I2019-L2022 PolarHBondContact O-N 3.13Å; I2019-L2023 HydrophobicContact CG2-CD1 3.72Å; I2019-L2023 HydrophobicContact CG2-CG 4.09Å; I2019-L2023 PolarHBondContact O-N 3.33Å; I2019-I2027 HydrophobicContact CB-CD1 3.66Å; I2019-I2027 HydrophobicContact CG2-CD1 3.26Å; I2019-L2033 HydrophobicContact CD1-CD1 3.78Å; I2019-L2033 HydrophobicContact CD1-CD2 3.9Å; I2019-L2033 HydrophobicContact CG2-CD2 4.36Å; I2019-L2038 HydrophobicContact CG2-CD1 3.56Å; I2019-L2046 HydrophobicContact CD1-CD1 4.13Å; I2019-L2046 HydrophobicContact CD1-CD2 3.89Å; I2019-L2046 HydrophobicContact CG1-CD1 3.33Å; I2019-L2046 HydrophobicContact CG1-CD2 3.68Å; I2019-L2046 HydrophobicContact CG1-CG 4.12Å; I2019-V2066 HydrophobicContact CD1-CG2 4.04Å
2020S70.3Confident73.5Confident32 Ų3247.3 Ų47.322%0.22423%0.231CC..Hα-helixtrans-63.8-31.4174-580000111.4S2016 D2017 R2024 R2025S2016-S2020 WeakPolarHBondContact O-CB 3.41Å; S2016-S2020 PolarHBondContact O-N 3.04Å; S2016-S2020 PolarHBondContact O-OG 3.05Å; D2017-S2020 PolarHBondContact O-N 3.47Å; S2020-R2024 WeakPolarHBondContact O-CA 3.42Å; S2020-R2024 PolarHBondContact O-N 2.78Å; S2020-R2025 WeakPolarHBondContact CB-O 3.18Å; S2020-R2025 PolarHBondContact OG-O 2.73Å
2021L68.4Low73.1Confident110 Ų11049 Ų4958%0.57623%0.234SC*.Hα-helixtrans-70.9-29.2169.9-75.5166.6000113.5D2017 I2019D2017-L2021 WeakPolarHBondContact O-CB 3.18Å; D2017-L2021 VanDerWaalsContact O-CG 3.24Å; D2017-L2021 WeakPolarHBondContact O-CG 3.43Å; D2017-L2021 PolarHBondContact O-N 3.22Å; I2019-L2021 PolarHBondContact O-N 3.32Å
2022L67.6Low72.6Confident37 Ų3751.7 Ų51.719%0.19425%0.252CS..Hα-helixtrans-79.4-39.2175.7-75.1167.4000112.8Q2018 I2019 E2045 L2046Q2018-L2022 WeakPolarHBondContact O-CG 3.39Å; Q2018-L2022 PolarHBondContact O-N 3.21Å; I2019-L2022 WeakPolarHBondContact O-CA 3.22Å; I2019-L2022 WeakPolarHBondContact O-CB 3.37Å; I2019-L2022 PolarHBondContact O-N 3.13Å; L2022-E2045 HydrophobicContact CD2-CB 4.3Å; L2022-E2045 VanDerWaalsContact CD2-CD 3.49Å; L2022-E2045 HydrophobicContact CD2-CG 3.89Å; L2022-E2045 WeakPolarHBondContact CD2-OE1 3.21Å; L2022-L2046 HydrophobicContact CD1-CB 3.75Å; L2022-L2046 HydrophobicContact CD1-CD1 4.25Å
2023L68.2Low72.1Confident11 Ų1150 Ų506%0.05825%0.245CC..Hα-helixtrans-107.5-1.7-172.2-60.6-177.8000114.3T85 I2019 R2025 I2027 Y2036 L2038T85-L2023 HydrophobicContact CG2-CD2 4.05Å; I2019-L2023 HydrophobicContact CG2-CD1 3.72Å; I2019-L2023 HydrophobicContact CG2-CG 4.09Å; I2019-L2023 PolarHBondContact O-N 3.33Å; L2023-R2025 HydrophobicContact CB-CG 4.05Å; L2023-R2025 WeakPolarHBondContact O-CG 3.49Å; L2023-R2025 PolarHBondContact O-N 2.75Å; L2023-R2025 VanDerWaalsContact O-N 3.08Å; L2023-R2025 PolarHBondContact O-NE 3.07Å; L2023-I2027 HydrophobicContact CB-CD1 4.5Å; L2023-I2027 HydrophobicContact CD1-CD1 4.05Å; L2023-Y2036 HydrophobicContact CD1-CG 4.38Å; L2023-L2038 HydrophobicContact CD1-CD1 4.09Å; L2023-L2038 HydrophobicContact CD1-CG 4.31Å; L2023-L2038 HydrophobicContact CD2-CG 4.48Å
2024R61.6Low71.5Confident175 Ų17546.7 Ų46.766%0.6625%0.245SC*.SBendtrans50.829.6177.8-65.5-176.5173.1174.21.9115.3E86 S2020E86-R2024 IonicContact OE1-CZ 3.7Å; E86-R2024 IonicContact OE1-NH1 3.79Å; E86-R2024 PolarHBondContact OE1-NH1 3.31Å; E86-R2024 IonicContact OE1-NH2 3.14Å; E86-R2024 WeakPolarHBondContact OE2-CD 3.4Å; E86-R2024 IonicContact OE2-CZ 2.73Å; E86-R2024 IonicContact OE2-NE 3.94Å; E86-R2024 IonicContact OE2-NH1 2.67Å; E86-R2024 PolarHBondContact OE2-NH1 3.17Å; S2020-R2024 WeakPolarHBondContact O-CA 3.42Å; S2020-R2024 PolarHBondContact O-N 2.78Å
2025R61.8Low70.7Confident55 Ų5548.3 Ų48.321%0.20825%0.254CS..SBendtrans-142.2160.2-176.668.7-176.380.7161.88.6111.4D80 S2020 L2023 I2027D80-R2025 IonicContact OD1-CZ 3.91Å; D80-R2025 IonicContact OD1-NE 2.93Å; D80-R2025 IonicContact OD1-NH2 2.96Å; D80-R2025 PolarHBondContact OD1-NH2 3.03Å; S2020-R2025 WeakPolarHBondContact CB-O 3.18Å; S2020-R2025 PolarHBondContact OG-O 2.73Å; L2023-R2025 HydrophobicContact CB-CG 4.05Å; L2023-R2025 WeakPolarHBondContact O-CG 3.49Å; L2023-R2025 PolarHBondContact O-N 2.75Å; L2023-R2025 VanDerWaalsContact O-N 3.08Å; L2023-R2025 PolarHBondContact O-NE 3.07Å; R2025-I2027 HydrophobicContact CG-CG1 4.31Å
2026T62.8Low69.8Low124 Ų12449.5 Ų49.576%0.76126%0.259SS*.  trans-72.7142.3170.5-51.60000109.7
2027I67Low69Low6 Ų649 Ų493%0.03126%0.258CS..  trans-124.5133.1-170-63.8175.7000110.4I2019 L2023 R2025 L2033 Y2036 V2066I2019-I2027 HydrophobicContact CB-CD1 3.66Å; I2019-I2027 HydrophobicContact CG2-CD1 3.26Å; L2023-I2027 HydrophobicContact CB-CD1 4.5Å; L2023-I2027 HydrophobicContact CD1-CD1 4.05Å; R2025-I2027 HydrophobicContact CG-CG1 4.31Å; I2027-L2033 HydrophobicContact CG2-CD2 4.35Å; I2027-Y2036 HydrophobicContact CG2-CD2 4.37Å; I2027-Y2036 HydrophobicContact CG2-CE2 3.75Å; I2027-V2066 HydrophobicContact CG2-CG2 3.59Å
2028D68Low68.5Low19 Ų1945.9 Ų45.910%0.10224%0.241CC..  trans-72.5121.4171.2-173.2-43.7000108.7R799 D2030 R2031 Y2036R799-D2028 IonicContact CZ-OD2 3.45Å; R799-D2028 IonicContact NE-OD2 2.72Å; R799-D2028 PolarHBondContact NE-OD2 2.89Å; R799-D2028 VanDerWaalsContact NH2-CG 3.33Å; R799-D2028 IonicContact NH2-OD1 2.78Å; R799-D2028 PolarHBondContact NH2-OD1 3.39Å; R799-D2028 VanDerWaalsContact NH2-OD1 3.12Å; R799-D2028 IonicContact NH2-OD2 2.85Å; R799-D2028 PolarHBondContact NH2-OD2 2.85Å; D2028-D2030 PolarHBondContact O-N 2.7Å; D2028-D2030 PolarHBondContact OD1-N 3.16Å; D2028-R2031 HydrophobicContact CB-CB 3.98Å; D2028-R2031 PolarHBondContact O-N 3.2Å; D2028-Y2036 VanDerWaalsContact CB-OH 3.26Å; D2028-Y2036 WeakPolarHBondContact CB-OH 3.16Å; D2028-Y2036 PolarHBondContact N-OH 2.9Å
2029P70.5Confident67.8Low6 Ų647.7 Ų47.74%0.03925%0.251CS..THydrogen-bonded Turntrans-68.1-11.5-172.227.1-34.9000114.2D822 M823 T2065 V2066 R2067D822-P2029 WeakPolarHBondContact O-CD 3.35Å; D822-P2029 WeakPolarHBondContact O-CG 3.27Å; M823-P2029 HydrophobicContact CG-CG 4.29Å; P2029-T2065 VanDerWaalsContact O-CB 3.3Å; P2029-T2065 WeakPolarHBondContact O-CB 3.08Å; P2029-T2065 PolarHBondContact O-OG1 2.86Å; P2029-V2066 HydrophobicContact CB-CB 3.99Å; P2029-V2066 PolarHBondContact O-N 2.77Å; P2029-R2067 WeakPolarHBondContact O-CB 3.48Å; P2029-R2067 PolarHBondContact O-N 2.89Å
2030D67.2Low67.4Low43 Ų4353 Ų5323%0.2329%0.289CS..THydrogen-bonded Turntrans-112.9-1.6-177.8-71.3-80.1000114.2M823 D2028 T2065 R2067M823-D2030 HydrophobicContact CE-CB 4.07Å; M823-D2030 WeakPolarHBondContact CE-OD2 3.48Å; D2028-D2030 PolarHBondContact O-N 2.7Å; D2028-D2030 PolarHBondContact OD1-N 3.16Å; D2030-T2065 WeakPolarHBondContact O-CG2 3.28Å; D2030-R2067 VanDerWaalsContact OD1-CD 3.25Å; D2030-R2067 WeakPolarHBondContact OD1-CD 3.5Å; D2030-R2067 IonicContact OD1-CZ 3.12Å; D2030-R2067 IonicContact OD1-NE 3.56Å; D2030-R2067 PolarHBondContact OD1-NE 3.42Å; D2030-R2067 IonicContact OD1-NH2 2.69Å; D2030-R2067 IonicContact OD2-CZ 3.59Å; D2030-R2067 IonicContact OD2-NE 2.79Å; D2030-R2067 PolarHBondContact OD2-NE 3.25Å; D2030-R2067 IonicContact OD2-NH2 2.64Å; D2030-R2067 PolarHBondContact OD2-NH2 2.67Å
2031R70.5Confident67Low62 Ų6254.6 Ų54.623%0.23429%0.294CS..SBendtrans-79.6141.9172.2-170.2174.5-168.8168.33.6110.8D2028 L2033 D2035 Y2036D2028-R2031 HydrophobicContact CB-CB 3.98Å; D2028-R2031 PolarHBondContact O-N 3.2Å; R2031-L2033 PolarHBondContact O-N 2.76Å; R2031-D2035 HydrophobicContact CG-CB 4.21Å; R2031-D2035 IonicContact CZ-OD2 3.13Å; R2031-D2035 IonicContact NE-OD2 2.69Å; R2031-D2035 PolarHBondContact NE-OD2 3.09Å; R2031-D2035 VanDerWaalsContact NE-OD2 3.1Å; R2031-D2035 IonicContact NH2-OD2 3.12Å; R2031-Y2036 HydrophobicContact CB-CE2 3.88Å; R2031-Y2036 HydrophobicContact CG-CE2 4.04Å
2032P75Confident67.1Low57 Ų5750 Ų5037%0.3727%0.274SS..  trans-58.6134.1172.4-22.933.8000111.5S2034 D2035 T2064P2032-S2034 WeakPolarHBondContact CB-OG 3.49Å; P2032-S2034 PolarHBondContact O-N 3.45Å; P2032-D2035 WeakPolarHBondContact O-CB 3.42Å; P2032-D2035 PolarHBondContact O-N 2.97Å; P2032-D2035 VanDerWaalsContact O-N 3.13Å; P2032-T2064 CarbonylContact C-O 3.53Å; P2032-T2064 WeakPolarHBondContact CA-O 3.32Å
2033L73.2Confident67.3Low2 Ų249.9 Ų49.91%0.0127%0.273CS..G310 helixtrans-67.4-26.2-175.9-66.3174.5000112.8I2019 I2027 R2031 D2035 Y2036 L2038 L2046 I2063 T2064 V2066I2019-L2033 HydrophobicContact CD1-CD1 3.78Å; I2019-L2033 HydrophobicContact CD1-CD2 3.9Å; I2019-L2033 HydrophobicContact CG2-CD2 4.36Å; I2027-L2033 HydrophobicContact CG2-CD2 4.35Å; R2031-L2033 PolarHBondContact O-N 2.76Å; L2033-D2035 PolarHBondContact O-N 2.95Å; L2033-Y2036 HydrophobicContact CD2-CD2 4.47Å; L2033-Y2036 PolarHBondContact O-N 2.84Å; L2033-L2038 HydrophobicContact CB-CB 4.15Å; L2033-L2038 HydrophobicContact CB-CD1 3.93Å; L2033-L2038 HydrophobicContact CD1-CD1 4.29Å; L2033-L2038 HydrophobicContact CD2-CD1 4.32Å; L2033-L2038 HydrophobicContact CG-CD1 4.4Å; L2033-L2038 WeakPolarHBondContact O-CB 3.49Å; L2033-L2038 PolarHBondContact O-N 3Å; L2033-L2046 HydrophobicContact CD1-CD2 4.12Å; L2033-I2063 HydrophobicContact CD1-CG2 3.69Å; L2033-T2064 PolarHBondContact N-O 3.39Å; L2033-V2066 HydrophobicContact CD2-CG2 4.14Å
2034S68.1Low67.4Low80 Ų8053.4 Ų53.456%0.55929%0.291SS*.G310 helixtrans-48.1-40.7168.944.20000113.2P2032 Y2036 G2037P2032-S2034 WeakPolarHBondContact CB-OG 3.49Å; P2032-S2034 PolarHBondContact O-N 3.45Å; S2034-Y2036 PolarHBondContact O-N 3.31Å; S2034-G2037 PolarHBondContact O-N 3.44Å
2035D66.3Low67.7Low77 Ų7747 Ų4741%0.41227%0.269SS..G310 helixtrans-71.1-16.1-171.9-57.112.1000112.6R2031 P2032 L2033R2031-D2035 HydrophobicContact CG-CB 4.21Å; R2031-D2035 IonicContact CZ-OD2 3.13Å; R2031-D2035 IonicContact NE-OD2 2.69Å; R2031-D2035 PolarHBondContact NE-OD2 3.09Å; R2031-D2035 VanDerWaalsContact NE-OD2 3.1Å; R2031-D2035 IonicContact NH2-OD2 3.12Å; P2032-D2035 WeakPolarHBondContact O-CB 3.42Å; P2032-D2035 PolarHBondContact O-N 2.97Å; P2032-D2035 VanDerWaalsContact O-N 3.13Å; L2033-D2035 PolarHBondContact O-N 2.95Å
2036Y64.6Low68.5Low25 Ų2544.4 Ų44.410%0.09826%0.259CS..G310 helixtrans-94.37.5174.1-62.4-75.6000113.3L2023 I2027 D2028 R2031 L2033 S2034L2023-Y2036 HydrophobicContact CD1-CG 4.38Å; I2027-Y2036 HydrophobicContact CG2-CD2 4.37Å; I2027-Y2036 HydrophobicContact CG2-CE2 3.75Å; D2028-Y2036 VanDerWaalsContact CB-OH 3.26Å; D2028-Y2036 WeakPolarHBondContact CB-OH 3.16Å; D2028-Y2036 PolarHBondContact N-OH 2.9Å; R2031-Y2036 HydrophobicContact CB-CE2 3.88Å; R2031-Y2036 HydrophobicContact CG-CE2 4.04Å; L2033-Y2036 HydrophobicContact CD2-CD2 4.47Å; L2033-Y2036 PolarHBondContact O-N 2.84Å; S2034-Y2036 PolarHBondContact O-N 3.31Å
2037G61.8Low69.3Low17 Ų1741.2 Ų41.218%0.17523%0.233CC..THydrogen-bonded Turntrans85.817.6-175.900000114.2G83 T85 S2034 D2039G83-G2037 WeakPolarHBondContact O-CA 3.39Å; T85-G2037 WeakPolarHBondContact CG2-O 3.25Å; S2034-G2037 PolarHBondContact O-N 3.44Å; G2037-D2039 PolarHBondContact O-N 3.49Å
2038L68.5Low69.4Low8 Ų844 Ų444%0.04225%0.251CS..  trans-83.284.8-175.2-134.7176.6000110.7I2019 L2023 L2033 N2043 L2046I2019-L2038 HydrophobicContact CG2-CD1 3.56Å; L2023-L2038 HydrophobicContact CD1-CD1 4.09Å; L2023-L2038 HydrophobicContact CD1-CG 4.31Å; L2023-L2038 HydrophobicContact CD2-CG 4.48Å; L2033-L2038 HydrophobicContact CB-CB 4.15Å; L2033-L2038 HydrophobicContact CB-CD1 3.93Å; L2033-L2038 HydrophobicContact CD1-CD1 4.29Å; L2033-L2038 HydrophobicContact CD2-CD1 4.32Å; L2033-L2038 HydrophobicContact CG-CD1 4.4Å; L2033-L2038 WeakPolarHBondContact O-CB 3.49Å; L2033-L2038 PolarHBondContact O-N 3Å; L2038-N2043 HydrophobicContact CD2-CB 4.45Å; L2038-N2043 PolarHBondContact O-ND2 3.47Å; L2038-L2046 HydrophobicContact CD1-CD2 4.14Å
2039D66.1Low69.9Low56 Ų5646.5 Ų46.530%0.29926%0.259SS..  trans-71-179.8-176.186-12.8000114.1Y147 G2037 L2041 G2042 N2043Y147-D2039 PolarHBondContact OH-OD2 3.48Å; G2037-D2039 PolarHBondContact O-N 3.49Å; D2039-L2041 PolarHBondContact O-N 3.45Å; D2039-L2041 WeakPolarHBondContact OD1-CA 3.41Å; D2039-L2041 WeakPolarHBondContact OD1-CB 3.35Å; D2039-L2041 PolarHBondContact OD1-N 3.12Å; D2039-G2042 PolarHBondContact O-N 2.86Å; D2039-G2042 PolarHBondContact OD1-N 2.78Å; D2039-N2043 VanDerWaalsContact O-CB 3.27Å; D2039-N2043 WeakPolarHBondContact O-CB 3.43Å; D2039-N2043 VanDerWaalsContact O-CG 3.22Å; D2039-N2043 PolarHBondContact O-N 3.48Å; D2039-N2043 PolarHBondContact O-ND2 2.63Å
2040S67.3Low70.3Confident112 Ų11246.3 Ų46.378%0.78326%0.257SS*.THydrogen-bonded Turntrans-57-21.8179.1-63.80000114.8L2044S2040-L2044 PolarHBondContact O-N 3.21Å
2041L63.5Low70.9Confident65 Ų6546.2 Ų46.234%0.3426%0.255SS..THydrogen-bonded Turntrans-97.7-38-178.2-170.6106.8000112.2P146 D2039 N2043 L2044 E2045P146-L2041 HydrophobicContact CB-CD1 3.82Å; P146-L2041 HydrophobicContact CB-CD2 3.8Å; P146-L2041 HydrophobicContact CB-CG 4.4Å; P146-L2041 HydrophobicContact CG-CD1 4.3Å; P146-L2041 HydrophobicContact CG-CD2 3.52Å; D2039-L2041 PolarHBondContact O-N 3.45Å; D2039-L2041 WeakPolarHBondContact OD1-CA 3.41Å; D2039-L2041 WeakPolarHBondContact OD1-CB 3.35Å; D2039-L2041 PolarHBondContact OD1-N 3.12Å; L2041-N2043 PolarHBondContact O-N 2.76Å; L2041-L2044 CarbonylContact O-C 3.44Å; L2041-L2044 WeakPolarHBondContact O-CA 3.2Å; L2041-L2044 VanDerWaalsContact O-CB 3.26Å; L2041-L2044 WeakPolarHBondContact O-CB 3.48Å; L2041-L2044 PolarHBondContact O-N 2.84Å; L2041-E2045 PolarHBondContact O-N 2.72Å
2042G69.4Low70.8Confident14 Ų1448 Ų4814%0.14427%0.273CS..Hα-helixtrans-59.1-39.4165.300000110.6D2039 L2044 E2045 L2046D2039-G2042 PolarHBondContact O-N 2.86Å; D2039-G2042 PolarHBondContact OD1-N 2.78Å; G2042-L2044 PolarHBondContact O-N 2.67Å; G2042-E2045 PolarHBondContact O-N 3.27Å; G2042-L2046 VanDerWaalsContact O-CB 3.22Å; G2042-L2046 WeakPolarHBondContact O-CB 3.28Å; G2042-L2046 PolarHBondContact O-N 2.99Å
2043N73.2Confident70.7Confident33 Ų3347 Ų4718%0.17626%0.264CS..Hα-helixtrans-62.2-30.8171.5-76.2-50.4000112L2038 D2039 L2041 R2047 I2063L2038-N2043 HydrophobicContact CD2-CB 4.45Å; L2038-N2043 PolarHBondContact O-ND2 3.47Å; D2039-N2043 VanDerWaalsContact O-CB 3.27Å; D2039-N2043 WeakPolarHBondContact O-CB 3.43Å; D2039-N2043 VanDerWaalsContact O-CG 3.22Å; D2039-N2043 PolarHBondContact O-N 3.48Å; D2039-N2043 PolarHBondContact O-ND2 2.63Å; L2041-N2043 PolarHBondContact O-N 2.76Å; N2043-R2047 WeakPolarHBondContact O-CB 3.45Å; N2043-R2047 PolarHBondContact O-N 2.98Å; N2043-I2063 HydrophobicContact CB-CD1 4.09Å; N2043-I2063 VanDerWaalsContact O-CD1 3.31Å; N2043-I2063 WeakPolarHBondContact O-CD1 3.46Å; N2043-I2063 WeakPolarHBondContact OD1-CG2 3.45Å
2044L68.3Low70.8Confident85 Ų8547.4 Ų47.445%0.44527%0.267SS..Hα-helixtrans-72.9-44.8172.7-170.772.8000112S2040 L2041 G2042 R2047 T2048S2040-L2044 PolarHBondContact O-N 3.21Å; L2041-L2044 CarbonylContact O-C 3.44Å; L2041-L2044 WeakPolarHBondContact O-CA 3.2Å; L2041-L2044 VanDerWaalsContact O-CB 3.26Å; L2041-L2044 WeakPolarHBondContact O-CB 3.48Å; L2041-L2044 PolarHBondContact O-N 2.84Å; G2042-L2044 PolarHBondContact O-N 2.67Å; L2044-R2047 WeakPolarHBondContact O-CB 3.24Å; L2044-R2047 PolarHBondContact O-N 3.14Å; L2044-T2048 PolarHBondContact O-N 2.84Å; L2044-T2048 PolarHBondContact O-OG1 3.31Å; L2044-T2048 VanDerWaalsContact O-OG1 3.12Å
2045E69.4Low71Confident41 Ų4146.3 Ų46.319%0.19227%0.267CS..Hα-helixtrans-68.5-40.6178-171.8177.1154.400111.9R87 L2022 L2041 G2042 R2047 T2048 R2049R87-E2045 IonicContact CZ-OE1 3.57Å; R87-E2045 IonicContact CZ-OE2 3.88Å; R87-E2045 VanDerWaalsContact CZ-OE2 3.3Å; R87-E2045 IonicContact NH1-OE1 3.31Å; R87-E2045 IonicContact NH1-OE2 3.17Å; R87-E2045 PolarHBondContact NH1-OE2 3.26Å; R87-E2045 IonicContact NH2-OE1 3.02Å; R87-E2045 PolarHBondContact NH2-OE1 3.23Å; R87-E2045 IonicContact NH2-OE2 3.1Å; R87-E2045 PolarHBondContact NH2-OE2 3.2Å; R87-E2045 VanDerWaalsContact NH2-OE2 3.13Å; L2022-E2045 HydrophobicContact CD2-CB 4.3Å; L2022-E2045 VanDerWaalsContact CD2-CD 3.49Å; L2022-E2045 HydrophobicContact CD2-CG 3.89Å; L2022-E2045 WeakPolarHBondContact CD2-OE1 3.21Å; L2041-E2045 PolarHBondContact O-N 2.72Å; G2042-E2045 PolarHBondContact O-N 3.27Å; E2045-R2047 VanDerWaalsContact C-N 3.33Å; E2045-R2047 PolarHBondContact O-N 2.9Å; E2045-T2048 PolarHBondContact O-N 2.73Å; E2045-R2049 HydrophobicContact CG-CG 4.48Å; E2045-R2049 WeakPolarHBondContact O-CB 3.22Å; E2045-R2049 WeakPolarHBondContact O-CG 3.32Å; E2045-R2049 PolarHBondContact O-N 2.93Å; E2045-R2049 IonicContact OE1-CZ 3.42Å; E2045-R2049 IonicContact OE1-NE 2.99Å; E2045-R2049 PolarHBondContact OE1-NE 2.98Å; E2045-R2049 IonicContact OE1-NH2 2.96Å; E2045-R2049 PolarHBondContact OE1-NH2 3.06Å
2046L79Confident71.4Confident0 Ų043.8 Ų43.80%025%0.254CS..Hα-helixtrans-55.7-49.9170.6173.356.2000110.9Q2018 I2019 L2022 L2033 L2038 G2042 T2048 R2049 I2050 I2063 L2069Q2018-L2046 HydrophobicContact CB-CD1 4.48Å; I2019-L2046 HydrophobicContact CD1-CD1 4.13Å; I2019-L2046 HydrophobicContact CD1-CD2 3.89Å; I2019-L2046 HydrophobicContact CG1-CD1 3.33Å; I2019-L2046 HydrophobicContact CG1-CD2 3.68Å; I2019-L2046 HydrophobicContact CG1-CG 4.12Å; L2022-L2046 HydrophobicContact CD1-CB 3.75Å; L2022-L2046 HydrophobicContact CD1-CD1 4.25Å; L2033-L2046 HydrophobicContact CD1-CD2 4.12Å; L2038-L2046 HydrophobicContact CD1-CD2 4.14Å; G2042-L2046 VanDerWaalsContact O-CB 3.22Å; G2042-L2046 WeakPolarHBondContact O-CB 3.28Å; G2042-L2046 PolarHBondContact O-N 2.99Å; L2046-T2048 PolarHBondContact O-N 2.84Å; L2046-R2049 PolarHBondContact O-N 2.84Å; L2046-I2050 HydrophobicContact CD1-CD1 3.62Å; L2046-I2050 HydrophobicContact CD1-CG1 4.19Å; L2046-I2050 HydrophobicContact CG-CD1 3.99Å; L2046-I2050 WeakPolarHBondContact O-CG1 3.24Å; L2046-I2050 PolarHBondContact O-N 3.22Å; L2046-I2063 HydrophobicContact CD2-CG2 3.85Å; L2046-L2069 HydrophobicContact CD2-CD2 3.97Å; L2046-L2069 HydrophobicContact CG-CD2 4.36Å
2047R78.7Confident72Confident58 Ų5852 Ų5222%0.21929%0.285CS..Hα-helixtrans-57.5-46.1174.3170.2177.3172.7-137.3-21.5111.7N2043 L2044 E2045 I2050 E2051 V2058 I2063N2043-R2047 WeakPolarHBondContact O-CB 3.45Å; N2043-R2047 PolarHBondContact O-N 2.98Å; L2044-R2047 WeakPolarHBondContact O-CB 3.24Å; L2044-R2047 PolarHBondContact O-N 3.14Å; E2045-R2047 VanDerWaalsContact C-N 3.33Å; E2045-R2047 PolarHBondContact O-N 2.9Å; R2047-I2050 PolarHBondContact O-N 3.25Å; R2047-E2051 HydrophobicContact CG-CG 4.31Å; R2047-E2051 IonicContact CZ-OE1 2.74Å; R2047-E2051 IonicContact CZ-OE2 3.2Å; R2047-E2051 IonicContact NE-OE1 3.71Å; R2047-E2051 PolarHBondContact NE-OE1 2.93Å; R2047-E2051 IonicContact NE-OE2 3.18Å; R2047-E2051 IonicContact NH2-OE1 3.96Å; R2047-E2051 PolarHBondContact NH2-OE1 3.16Å; R2047-E2051 IonicContact NH2-OE2 2.77Å; R2047-E2051 PolarHBondContact NH2-OE2 2.68Å; R2047-E2051 VanDerWaalsContact O-CB 3.26Å; R2047-E2051 WeakPolarHBondContact O-CB 3.27Å; R2047-E2051 WeakPolarHBondContact O-CG 3.45Å; R2047-E2051 PolarHBondContact O-N 3.18Å; R2047-V2058 WeakPolarHBondContact CD-O 3.28Å; R2047-V2058 HydrophobicContact CG-CB 4.26Å; R2047-V2058 PolarHBondContact NE-O 2.86Å; R2047-I2063 HydrophobicContact CB-CD1 4.14Å
2048T69.4Low72.7Confident64 Ų6451.4 Ų51.439%0.39328%0.278SS..Hα-helixtrans-65.7-40.9179.9-64.70000111.8L2044 E2045 L2046 E2051 T2052L2044-T2048 PolarHBondContact O-N 2.84Å; L2044-T2048 PolarHBondContact O-OG1 3.31Å; L2044-T2048 VanDerWaalsContact O-OG1 3.12Å; E2045-T2048 PolarHBondContact O-N 2.73Å; L2046-T2048 PolarHBondContact O-N 2.84Å; T2048-E2051 PolarHBondContact O-N 3.11Å; T2048-T2052 WeakPolarHBondContact O-CB 3.29Å; T2048-T2052 PolarHBondContact O-N 2.88Å; T2048-T2052 PolarHBondContact O-OG1 2.82Å
2049R77.3Confident73.1Confident72 Ų7253.4 Ų53.427%0.27229%0.292SS..Hα-helixtrans-60.4-47.8174.1-73.4162.6175.6-95.71111.4E2045 L2046 T2052 E2053E2045-R2049 HydrophobicContact CG-CG 4.48Å; E2045-R2049 WeakPolarHBondContact O-CB 3.22Å; E2045-R2049 WeakPolarHBondContact O-CG 3.32Å; E2045-R2049 PolarHBondContact O-N 2.93Å; E2045-R2049 IonicContact OE1-CZ 3.42Å; E2045-R2049 IonicContact OE1-NE 2.99Å; E2045-R2049 PolarHBondContact OE1-NE 2.98Å; E2045-R2049 IonicContact OE1-NH2 2.96Å; E2045-R2049 PolarHBondContact OE1-NH2 3.06Å; L2046-R2049 PolarHBondContact O-N 2.84Å; R2049-T2052 PolarHBondContact O-N 2.99Å; R2049-E2053 WeakPolarHBondContact O-CG 3.43Å; R2049-E2053 PolarHBondContact O-N 3.44Å
2050I79.9Confident73Confident1 Ų154.5 Ų54.51%0.00530%0.302CS..Hα-helixtrans-63-43.8175.6-66.7168000110.8V2015 L2046 R2047 T2052 T2054 V2058 L2069 V2073V2015-I2050 HydrophobicContact CG1-CD1 4.32Å; V2015-I2050 HydrophobicContact CG2-CD1 4.01Å; L2046-I2050 HydrophobicContact CD1-CD1 3.62Å; L2046-I2050 HydrophobicContact CD1-CG1 4.19Å; L2046-I2050 HydrophobicContact CG-CD1 3.99Å; L2046-I2050 WeakPolarHBondContact O-CG1 3.24Å; L2046-I2050 PolarHBondContact O-N 3.22Å; R2047-I2050 PolarHBondContact O-N 3.25Å; I2050-T2052 VanDerWaalsContact C-N 3.34Å; I2050-T2052 PolarHBondContact O-N 3.45Å; I2050-T2054 HydrophobicContact CG2-CG2 4.15Å; I2050-T2054 VanDerWaalsContact O-CB 3.3Å; I2050-T2054 WeakPolarHBondContact O-CB 3.34Å; I2050-T2054 WeakPolarHBondContact O-CG2 3.39Å; I2050-T2054 PolarHBondContact O-N 2.94Å; I2050-T2054 PolarHBondContact O-OG1 3.02Å; I2050-V2058 HydrophobicContact CG2-CG2 3.89Å; I2050-L2069 HydrophobicContact CD1-CD1 4.48Å; I2050-L2069 HydrophobicContact CD1-CD2 3.69Å; I2050-L2069 HydrophobicContact CD1-CG 4.22Å; I2050-V2073 HydrophobicContact CG2-CG2 4.15Å
2051E79.6Confident73.2Confident41 Ų4154.9 Ų54.919%0.19230%0.3CS..Hα-helixtrans-61.8-37.8176.3-84.3177.2-178.700112.5R2047 T2048 G2055 I2056 R2057 V2058R2047-E2051 HydrophobicContact CG-CG 4.31Å; R2047-E2051 IonicContact CZ-OE1 2.74Å; R2047-E2051 IonicContact CZ-OE2 3.2Å; R2047-E2051 IonicContact NE-OE1 3.71Å; R2047-E2051 PolarHBondContact NE-OE1 2.93Å; R2047-E2051 IonicContact NE-OE2 3.18Å; R2047-E2051 IonicContact NH2-OE1 3.96Å; R2047-E2051 PolarHBondContact NH2-OE1 3.16Å; R2047-E2051 IonicContact NH2-OE2 2.77Å; R2047-E2051 PolarHBondContact NH2-OE2 2.68Å; R2047-E2051 VanDerWaalsContact O-CB 3.26Å; R2047-E2051 WeakPolarHBondContact O-CB 3.27Å; R2047-E2051 WeakPolarHBondContact O-CG 3.45Å; R2047-E2051 PolarHBondContact O-N 3.18Å; T2048-E2051 PolarHBondContact O-N 3.11Å; E2051-G2055 WeakPolarHBondContact O-CA 3.46Å; E2051-G2055 PolarHBondContact O-N 3.14Å; E2051-I2056 WeakPolarHBondContact CG-O 3.46Å; E2051-R2057 HydrophobicContact CG-CG 4.39Å; E2051-R2057 WeakPolarHBondContact OE1-CA 3.42Å; E2051-R2057 WeakPolarHBondContact OE1-CG 3.49Å; E2051-V2058 PolarHBondContact OE1-N 2.9Å
2052T69Low73.7Confident100 Ų10056.7 Ų56.761%0.61331%0.305SS*.Hα-helixtrans-72-45.5179.3-63.40000112.1T2048 R2049 I2050T2048-T2052 WeakPolarHBondContact O-CB 3.29Å; T2048-T2052 PolarHBondContact O-N 2.88Å; T2048-T2052 PolarHBondContact O-OG1 2.82Å; R2049-T2052 PolarHBondContact O-N 2.99Å; I2050-T2052 VanDerWaalsContact C-N 3.34Å; I2050-T2052 PolarHBondContact O-N 3.45Å
2053E71.5Confident73.9Confident35 Ų3556.9 Ų56.916%0.16430%0.302CS..Hα-helixtrans-77.4-42.3-179.2-58.1-66.4-171.400112.2F1995 R2049F1995-E2053 HydrophobicContact CD1-CB 4.03Å; F1995-E2053 WeakPolarHBondContact CD1-O 3.34Å; F1995-E2053 WeakPolarHBondContact CD1-OE2 3.3Å; F1995-E2053 HydrophobicContact CE1-CB 4.35Å; F1995-E2053 VanDerWaalsContact CG-OE2 3.28Å; F1995-E2053 WeakPolarHBondContact CG-OE2 3.38Å; R2049-E2053 WeakPolarHBondContact O-CG 3.43Å; R2049-E2053 PolarHBondContact O-N 3.44Å
2054T76.1Confident74.3Confident12 Ų1258.6 Ų58.67%0.07431%0.314CS..Hα-helixtrans-95.8-18.1-172.872.30000114.5L1996 L2014 I2050 I2056L1996-T2054 WeakPolarHBondContact CD1-O 3.5Å; L2014-T2054 HydrophobicContact CD2-CG2 3.58Å; I2050-T2054 HydrophobicContact CG2-CG2 4.15Å; I2050-T2054 VanDerWaalsContact O-CB 3.3Å; I2050-T2054 WeakPolarHBondContact O-CB 3.34Å; I2050-T2054 WeakPolarHBondContact O-CG2 3.39Å; I2050-T2054 PolarHBondContact O-N 2.94Å; I2050-T2054 PolarHBondContact O-OG1 3.02Å; T2054-I2056 PolarHBondContact O-N 2.84Å; T2054-I2056 WeakPolarHBondContact OG1-CB 3.29Å; T2054-I2056 PolarHBondContact OG1-N 2.83Å; T2054-I2056 VanDerWaalsContact OG1-N 3.12Å
2055G71.7Confident75Confident56 Ų5655.7 Ų55.758%0.57730%0.3SS*.  trans69.3-3.1-169.300000115.3E2051E2051-G2055 WeakPolarHBondContact O-CA 3.46Å; E2051-G2055 PolarHBondContact O-N 3.14Å
2056I75.8Confident75.6Confident24 Ų2453.8 Ų53.812%0.12329%0.291CS..PPolyproline II helixtrans-88.2127-177.8-61.7-67.1000110.5E2051 T2054 E2076 L2077E2051-I2056 WeakPolarHBondContact CG-O 3.46Å; T2054-I2056 PolarHBondContact O-N 2.84Å; T2054-I2056 WeakPolarHBondContact OG1-CB 3.29Å; T2054-I2056 PolarHBondContact OG1-N 2.83Å; T2054-I2056 VanDerWaalsContact OG1-N 3.12Å; I2056-E2076 HydrophobicContact CD1-CB 4.41Å; I2056-E2076 HydrophobicContact CG2-CB 3.8Å; I2056-E2076 HydrophobicContact CG2-CG 4.35Å; I2056-L2077 HydrophobicContact CD1-CD2 3.83Å; I2056-L2077 HydrophobicContact CD1-CG 4.12Å; I2056-L2077 HydrophobicContact CG1-CD2 3.66Å; I2056-L2077 HydrophobicContact CG1-CG 3.84Å
2057R77.1Confident75.8Confident199 Ų19955 Ų5575%0.75130%0.296SS*.PPolyproline II helixtrans-75.8126.1171.3-74.4-168.7168.2-179.5-1.5111.7E2051E2051-R2057 HydrophobicContact CG-CG 4.39Å; E2051-R2057 WeakPolarHBondContact OE1-CA 3.42Å; E2051-R2057 WeakPolarHBondContact OE1-CG 3.49Å
2058V76.8Confident75.9Confident4 Ų453.3 Ų53.32%0.02430%0.297CS..PPolyproline II helixtrans-103.6134.1178.5174.20000110.2R2047 I2050 E2051 I2063 L2069 V2073R2047-V2058 WeakPolarHBondContact CD-O 3.28Å; R2047-V2058 HydrophobicContact CG-CB 4.26Å; R2047-V2058 PolarHBondContact NE-O 2.86Å; I2050-V2058 HydrophobicContact CG2-CG2 3.89Å; E2051-V2058 PolarHBondContact OE1-N 2.9Å; V2058-I2063 HydrophobicContact CG1-CD1 4.15Å; V2058-I2063 HydrophobicContact CG1-CG1 3.72Å; V2058-L2069 HydrophobicContact CB-CD1 4.48Å; V2058-L2069 HydrophobicContact CG1-CD1 3.5Å; V2058-L2069 VanDerWaalsContact CG1-CD1 3.5Å; V2058-L2069 HydrophobicContact CG2-CD1 4.13Å; V2058-V2073 HydrophobicContact CG2-CG2 3.84Å
2059S75.7Confident76.6Confident50 Ų5050.3 Ų50.335%0.3528%0.278SS..PPolyproline II helixtrans-77.3136169.7-177.20000110.9T2061 K2062S2059-T2061 PolarHBondContact O-N 2.82Å; S2059-T2061 VanDerWaalsContact O-N 3.15Å; S2059-T2061 PolarHBondContact OG-N 3Å; S2059-T2061 PolarHBondContact OG-OG1 2.94Å; S2059-K2062 WeakPolarHBondContact O-CB 3.41Å; S2059-K2062 PolarHBondContact O-N 3.33Å
2060P64.7Low77Confident78 Ų7846.9 Ų46.951%0.50627%0.265SS..G310 helixtrans-52.9-36.1173.1-26.935.2000113.3K2062 I2063P2060-K2062 PolarHBondContact O-N 2.94Å; P2060-K2062 VanDerWaalsContact O-N 3.08Å; P2060-I2063 PolarHBondContact O-N 3.32Å; P2060-I2063 VanDerWaalsContact O-N 3.16Å
2061T71.8Confident77.2Confident120 Ų12050.7 Ų50.774%0.73628%0.283SS*.G310 helixtrans-69.3-0.9177.254.30000115.2S2059S2059-T2061 PolarHBondContact O-N 2.82Å; S2059-T2061 VanDerWaalsContact O-N 3.15Å; S2059-T2061 PolarHBondContact OG-N 3Å; S2059-T2061 PolarHBondContact OG-OG1 2.94Å
2062K73.2Confident77.3Confident103 Ų10349.7 Ų49.745%0.44828%0.279SS..G310 helixtrans-108.5-15.5175-68.8-78-167.7166.30112.7S2059 P2060 T2064 H2072S2059-K2062 WeakPolarHBondContact O-CB 3.41Å; S2059-K2062 PolarHBondContact O-N 3.33Å; P2060-K2062 PolarHBondContact O-N 2.94Å; P2060-K2062 VanDerWaalsContact O-N 3.08Å; K2062-T2064 PolarHBondContact O-N 2.85Å; K2062-T2064 VanDerWaalsContact O-N 3.08Å; K2062-T2064 PolarHBondContact O-OG1 3.35Å; K2062-H2072 WeakPolarHBondContact CB-CD2 3.31Å
2063I74.4Confident78.1Confident18 Ų1845 Ų459%0.09225%0.25CC..  trans-73.2102.8172.3-54.4174000106.8L2033 N2043 L2046 R2047 V2058 P2060 L2069L2033-I2063 HydrophobicContact CD1-CG2 3.69Å; N2043-I2063 HydrophobicContact CB-CD1 4.09Å; N2043-I2063 VanDerWaalsContact O-CD1 3.31Å; N2043-I2063 WeakPolarHBondContact O-CD1 3.46Å; N2043-I2063 WeakPolarHBondContact OD1-CG2 3.45Å; L2046-I2063 HydrophobicContact CD2-CG2 3.85Å; R2047-I2063 HydrophobicContact CB-CD1 4.14Å; V2058-I2063 HydrophobicContact CG1-CD1 4.15Å; V2058-I2063 HydrophobicContact CG1-CG1 3.72Å; P2060-I2063 PolarHBondContact O-N 3.32Å; P2060-I2063 VanDerWaalsContact O-N 3.16Å; I2063-L2069 HydrophobicContact CG1-CD1 4.25Å; I2063-L2069 HydrophobicContact CG1-CD2 4.25Å; I2063-L2069 HydrophobicContact CG2-CD2 4.14Å
2064T81.5Confident78.8Confident69 Ų6943.8 Ų43.842%0.42325%0.245SC..SBendtrans-132.3-73.8-167.242.80000109.3P2032 L2033 K2062P2032-T2064 CarbonylContact C-O 3.53Å; P2032-T2064 WeakPolarHBondContact CA-O 3.32Å; L2033-T2064 PolarHBondContact N-O 3.39Å; K2062-T2064 PolarHBondContact O-N 2.85Å; K2062-T2064 VanDerWaalsContact O-N 3.08Å; K2062-T2064 PolarHBondContact O-OG1 3.35Å
2065T83.3Confident79Confident25 Ų2548.6 Ų48.615%0.15327%0.27CS..SBendtrans-123.7167.1168.674.50000108.7P2029 D2030 R2067 G2068 L2069P2029-T2065 VanDerWaalsContact O-CB 3.3Å; P2029-T2065 WeakPolarHBondContact O-CB 3.08Å; P2029-T2065 PolarHBondContact O-OG1 2.86Å; D2030-T2065 WeakPolarHBondContact O-CG2 3.28Å; T2065-R2067 PolarHBondContact O-N 3.08Å; T2065-R2067 PolarHBondContact OG1-N 3.41Å; T2065-G2068 PolarHBondContact O-N 3.15Å; T2065-G2068 PolarHBondContact OG1-N 3.19Å; T2065-L2069 VanDerWaalsContact O-CB 3.3Å; T2065-L2069 WeakPolarHBondContact O-CB 3.34Å; T2065-L2069 PolarHBondContact O-N 3.06Å
2066V81.4Confident79.5Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-57.5-42.5174.1-171.40000110.2V2015 I2019 I2027 P2029 L2033 A2070V2015-V2066 HydrophobicContact CB-CG1 4.08Å; V2015-V2066 HydrophobicContact CG1-CG1 3.84Å; I2019-V2066 HydrophobicContact CD1-CG2 4.04Å; I2027-V2066 HydrophobicContact CG2-CG2 3.59Å; P2029-V2066 HydrophobicContact CB-CB 3.99Å; P2029-V2066 PolarHBondContact O-N 2.77Å; L2033-V2066 HydrophobicContact CD2-CG2 4.14Å; V2066-A2070 WeakPolarHBondContact O-CB 3.47Å; V2066-A2070 PolarHBondContact O-N 2.9Å
2067R82.3Confident79.8Confident25 Ų2550 Ų509%0.09426%0.262CS..Hα-helixtrans-62.2-54.1176.9-174.7-175.5-54.4-80.6-8.4111.2L821 P2029 D2030 T2065 L2069 A2070 E2071L821-R2067 PolarHBondContact O-NH2 2.87Å; P2029-R2067 WeakPolarHBondContact O-CB 3.48Å; P2029-R2067 PolarHBondContact O-N 2.89Å; D2030-R2067 VanDerWaalsContact OD1-CD 3.25Å; D2030-R2067 WeakPolarHBondContact OD1-CD 3.5Å; D2030-R2067 IonicContact OD1-CZ 3.12Å; D2030-R2067 IonicContact OD1-NE 3.56Å; D2030-R2067 PolarHBondContact OD1-NE 3.42Å; D2030-R2067 IonicContact OD1-NH2 2.69Å; D2030-R2067 IonicContact OD2-CZ 3.59Å; D2030-R2067 IonicContact OD2-NE 2.79Å; D2030-R2067 PolarHBondContact OD2-NE 3.25Å; D2030-R2067 IonicContact OD2-NH2 2.64Å; D2030-R2067 PolarHBondContact OD2-NH2 2.67Å; T2065-R2067 PolarHBondContact O-N 3.08Å; T2065-R2067 PolarHBondContact OG1-N 3.41Å; R2067-L2069 VanDerWaalsContact C-N 3.31Å; R2067-L2069 PolarHBondContact O-N 2.92Å; R2067-A2070 PolarHBondContact O-N 3.45Å; R2067-E2071 WeakPolarHBondContact CD-OE1 3.43Å; R2067-E2071 VanDerWaalsContact CG-CD 3.49Å; R2067-E2071 HydrophobicContact CG-CG 4.25Å; R2067-E2071 WeakPolarHBondContact CG-OE1 3.47Å; R2067-E2071 WeakPolarHBondContact O-CB 3.31Å; R2067-E2071 WeakPolarHBondContact O-CG 3.46Å; R2067-E2071 PolarHBondContact O-N 2.86Å
2068G81.6Confident79.8Confident24 Ų2441.6 Ų41.625%0.24724%0.235CC..Hα-helixtrans-63.2-35.6-177.300000113.4T2065 H2072T2065-G2068 PolarHBondContact O-N 3.15Å; T2065-G2068 PolarHBondContact OG1-N 3.19Å; G2068-H2072 VanDerWaalsContact O-CB 3.32Å; G2068-H2072 WeakPolarHBondContact O-CB 3.37Å; G2068-H2072 PolarHBondContact O-N 3.16Å; G2068-H2072 VanDerWaalsContact O-N 3.08Å
2069L84.2Confident79.5Confident0 Ų043.9 Ų43.90%026%0.255CS..Hα-helixtrans-70.9-45.3174.1175.853.4000111.9V2015 L2046 I2050 V2058 I2063 T2065 R2067 H2072 V2073V2015-L2069 HydrophobicContact CG1-CB 4.33Å; V2015-L2069 HydrophobicContact CG1-CD2 3.69Å; V2015-L2069 HydrophobicContact CG1-CG 3.96Å; V2015-L2069 HydrophobicContact CG2-CG 4.46Å; L2046-L2069 HydrophobicContact CD2-CD2 3.97Å; L2046-L2069 HydrophobicContact CG-CD2 4.36Å; I2050-L2069 HydrophobicContact CD1-CD1 4.48Å; I2050-L2069 HydrophobicContact CD1-CD2 3.69Å; I2050-L2069 HydrophobicContact CD1-CG 4.22Å; V2058-L2069 HydrophobicContact CB-CD1 4.48Å; V2058-L2069 HydrophobicContact CG1-CD1 3.5Å; V2058-L2069 VanDerWaalsContact CG1-CD1 3.5Å; V2058-L2069 HydrophobicContact CG2-CD1 4.13Å; I2063-L2069 HydrophobicContact CG1-CD1 4.25Å; I2063-L2069 HydrophobicContact CG1-CD2 4.25Å; I2063-L2069 HydrophobicContact CG2-CD2 4.14Å; T2065-L2069 VanDerWaalsContact O-CB 3.3Å; T2065-L2069 WeakPolarHBondContact O-CB 3.34Å; T2065-L2069 PolarHBondContact O-N 3.06Å; R2067-L2069 VanDerWaalsContact C-N 3.31Å; R2067-L2069 PolarHBondContact O-N 2.92Å; L2069-H2072 PolarHBondContact O-N 2.95Å; L2069-V2073 HydrophobicContact CD1-CG2 4.12Å; L2069-V2073 WeakPolarHBondContact O-CG2 3.27Å; L2069-V2073 PolarHBondContact O-N 3.41Å
2070A85.7Confident79Confident0 Ų044.1 Ų44.10%026%0.26CS..Hα-helixtrans-69.2-36.6179.200000113.1V2011 R2012 V2015 V2066 R2067 V2073 C2074V2011-A2070 HydrophobicContact CB-CB 4.38Å; V2011-A2070 HydrophobicContact CG1-CB 3.9Å; R2012-A2070 HydrophobicContact CB-CB 4.13Å; R2012-A2070 HydrophobicContact CG-CB 3.47Å; R2012-A2070 VanDerWaalsContact CG-CB 3.47Å; V2015-A2070 HydrophobicContact CB-CB 4.39Å; V2015-A2070 HydrophobicContact CG2-CB 4.13Å; V2066-A2070 WeakPolarHBondContact O-CB 3.47Å; V2066-A2070 PolarHBondContact O-N 2.9Å; R2067-A2070 PolarHBondContact O-N 3.45Å; A2070-V2073 PolarHBondContact O-N 3.13Å; A2070-C2074 WeakPolarHBondContact O-CB 3.34Å; A2070-C2074 PolarHBondContact O-N 2.64Å; A2070-C2074 PolarHBondContact O-SG 2.86Å
2071E83.5Confident79Confident82 Ų8243.9 Ų43.938%0.38325%0.252SS..Hα-helixtrans-63.7-44.1171.6-74.1172.1-178.600110.3R2067 V2073 C2074 D2075R2067-E2071 WeakPolarHBondContact CD-OE1 3.43Å; R2067-E2071 VanDerWaalsContact CG-CD 3.49Å; R2067-E2071 HydrophobicContact CG-CG 4.25Å; R2067-E2071 WeakPolarHBondContact CG-OE1 3.47Å; R2067-E2071 WeakPolarHBondContact O-CB 3.31Å; R2067-E2071 WeakPolarHBondContact O-CG 3.46Å; R2067-E2071 PolarHBondContact O-N 2.86Å; E2071-V2073 PolarHBondContact O-N 3.24Å; E2071-C2074 WeakPolarHBondContact O-CB 3.3Å; E2071-C2074 PolarHBondContact O-N 3.49Å; E2071-D2075 PolarHBondContact O-N 3.26Å
2072H82.4Confident78.4Confident20 Ų2041.4 Ų41.49%0.09324%0.239CC..Hα-helixtrans-61.3-43172.8175.436.8000113.2K2062 G2068 L2069 C2074 D2075 E2076K2062-H2072 WeakPolarHBondContact CB-CD2 3.31Å; G2068-H2072 VanDerWaalsContact O-CB 3.32Å; G2068-H2072 WeakPolarHBondContact O-CB 3.37Å; G2068-H2072 PolarHBondContact O-N 3.16Å; G2068-H2072 VanDerWaalsContact O-N 3.08Å; L2069-H2072 PolarHBondContact O-N 2.95Å; H2072-C2074 VanDerWaalsContact C-N 3.34Å; H2072-D2075 PolarHBondContact O-N 3.25Å; H2072-E2076 VanDerWaalsContact CE1-CG 3.45Å; H2072-E2076 WeakPolarHBondContact CE1-CG 3.47Å; H2072-E2076 IonicContact CE1-OE1 2.87Å; H2072-E2076 PolarHBondContact CE1-OE1 3.03Å; H2072-E2076 VanDerWaalsContact CE1-OE1 3.32Å; H2072-E2076 IonicContact ND1-OE1 3.96Å; H2072-E2076 WeakPolarHBondContact O-CG 3.29Å; H2072-E2076 PolarHBondContact O-N 3.28Å
2073V84.6Confident77Confident1 Ų138.8 Ų38.81%0.00624%0.237CC..Hα-helixtrans-67.2-35.9176.5170.40000110.9V2011 I2050 V2058 L2069 A2070 E2071 E2076 L2077V2011-V2073 HydrophobicContact CG1-CB 3.91Å; V2011-V2073 HydrophobicContact CG1-CG1 3.69Å; I2050-V2073 HydrophobicContact CG2-CG2 4.15Å; V2058-V2073 HydrophobicContact CG2-CG2 3.84Å; L2069-V2073 HydrophobicContact CD1-CG2 4.12Å; L2069-V2073 WeakPolarHBondContact O-CG2 3.27Å; L2069-V2073 PolarHBondContact O-N 3.41Å; A2070-V2073 PolarHBondContact O-N 3.13Å; E2071-V2073 PolarHBondContact O-N 3.24Å; V2073-E2076 PolarHBondContact O-N 2.81Å; V2073-L2077 HydrophobicContact CG1-CD1 3.79Å; V2073-L2077 HydrophobicContact CG1-CG 4.38Å; V2073-L2077 WeakPolarHBondContact O-CB 3.36Å; V2073-L2077 WeakPolarHBondContact O-CD1 3.36Å; V2073-L2077 WeakPolarHBondContact O-CG 3.48Å; V2073-L2077 PolarHBondContact O-N 3.04Å
2074C85.9Confident75.5Confident9 Ų944 Ų446%0.06127%0.272CS..Hα-helixtrans-63.7-42.6170.1-77.10000112.6W2007 P2008 V2011 A2070 E2071 H2072 L2077 A2078W2007-C2074 VanDerWaalsContact C-SG 3.55Å; W2007-C2074 PolarHBondContact O-SG 2.87Å; P2008-C2074 VanDerWaalsContact CA-SG 3.57Å; V2011-C2074 VanDerWaalsContact CG2-SG 3.52Å; A2070-C2074 WeakPolarHBondContact O-CB 3.34Å; A2070-C2074 PolarHBondContact O-N 2.64Å; A2070-C2074 PolarHBondContact O-SG 2.86Å; E2071-C2074 WeakPolarHBondContact O-CB 3.3Å; E2071-C2074 PolarHBondContact O-N 3.49Å; H2072-C2074 VanDerWaalsContact C-N 3.34Å; C2074-L2077 PolarHBondContact O-N 2.9Å; C2074-A2078 WeakPolarHBondContact O-CB 3.46Å; C2074-A2078 PolarHBondContact O-N 3.31Å
2075D82Confident73.3Confident114 Ų11443.8 Ų43.861%0.6127%0.27SS*.Hα-helixtrans-62.9-42.7176.5-77.1-20.1000111.2E2071 H2072 A2078 A2079E2071-D2075 PolarHBondContact O-N 3.26Å; H2072-D2075 PolarHBondContact O-N 3.25Å; D2075-A2078 PolarHBondContact O-N 3.06Å; D2075-A2079 WeakPolarHBondContact O-CB 3.31Å; D2075-A2079 PolarHBondContact O-N 3.24Å
2076E81.6Confident72.8Confident86 Ų8644.8 Ų44.840%0.40228%0.276SS..Hα-helixtrans-69-40.6176.5-68.5-65.6160.200112.3I2056 H2072 V2073 A2079 A2080I2056-E2076 HydrophobicContact CD1-CB 4.41Å; I2056-E2076 HydrophobicContact CG2-CB 3.8Å; I2056-E2076 HydrophobicContact CG2-CG 4.35Å; H2072-E2076 VanDerWaalsContact CE1-CG 3.45Å; H2072-E2076 WeakPolarHBondContact CE1-CG 3.47Å; H2072-E2076 IonicContact CE1-OE1 2.87Å; H2072-E2076 PolarHBondContact CE1-OE1 3.03Å; H2072-E2076 VanDerWaalsContact CE1-OE1 3.32Å; H2072-E2076 IonicContact ND1-OE1 3.96Å; H2072-E2076 WeakPolarHBondContact O-CG 3.29Å; H2072-E2076 PolarHBondContact O-N 3.28Å; V2073-E2076 PolarHBondContact O-N 2.81Å; E2076-A2079 PolarHBondContact O-N 3.1Å; E2076-A2080 VanDerWaalsContact O-CB 3.29Å; E2076-A2080 WeakPolarHBondContact O-CB 3.28Å; E2076-A2080 PolarHBondContact O-N 3.38Å
2077L81.8Confident72.3Confident22 Ų2247.1 Ų47.112%0.11529%0.291CS..Hα-helixtrans-64.9-40172.7-74.6163.6000111.8L1999 W2007 V2011 I2056 V2073 C2074 A2080 Q2081L1999-L2077 HydrophobicContact CD2-CD1 3.59Å; W2007-L2077 HydrophobicContact CE3-CB 4.37Å; W2007-L2077 HydrophobicContact CH2-CB 4.49Å; W2007-L2077 HydrophobicContact CZ3-CB 3.75Å; V2011-L2077 HydrophobicContact CG2-CD1 4.21Å; I2056-L2077 HydrophobicContact CD1-CD2 3.83Å; I2056-L2077 HydrophobicContact CD1-CG 4.12Å; I2056-L2077 HydrophobicContact CG1-CD2 3.66Å; I2056-L2077 HydrophobicContact CG1-CG 3.84Å; V2073-L2077 HydrophobicContact CG1-CD1 3.79Å; V2073-L2077 HydrophobicContact CG1-CG 4.38Å; V2073-L2077 WeakPolarHBondContact O-CB 3.36Å; V2073-L2077 WeakPolarHBondContact O-CD1 3.36Å; V2073-L2077 WeakPolarHBondContact O-CG 3.48Å; V2073-L2077 PolarHBondContact O-N 3.04Å; C2074-L2077 PolarHBondContact O-N 2.9Å; L2077-A2080 PolarHBondContact O-N 3.45Å; L2077-Q2081 PolarHBondContact O-N 2.7Å
2078A76.6Confident71.8Confident23 Ų2348.3 Ų48.319%0.1930%0.302CS..Hα-helixtrans-69.3-38.3177.300000110.3W2007 C2074 D2075 Q2081 S2082W2007-A2078 HydrophobicContact CZ3-CB 4.22Å; C2074-A2078 WeakPolarHBondContact O-CB 3.46Å; C2074-A2078 PolarHBondContact O-N 3.31Å; D2075-A2078 PolarHBondContact O-N 3.06Å; A2078-Q2081 PolarHBondContact O-N 3.03Å; A2078-S2082 WeakPolarHBondContact O-CB 3.45Å; A2078-S2082 PolarHBondContact O-N 3.38Å; A2078-S2082 PolarHBondContact O-OG 3.29Å
2079A70.8Confident71.2Confident53 Ų5349.8 Ų49.844%0.43831%0.305SS..Hα-helixtrans-64.1-47171.400000111.2D2075 E2076 Q2081 S2082 A2083D2075-A2079 WeakPolarHBondContact O-CB 3.31Å; D2075-A2079 PolarHBondContact O-N 3.24Å; E2076-A2079 PolarHBondContact O-N 3.1Å; A2079-Q2081 VanDerWaalsContact C-N 3.28Å; A2079-Q2081 PolarHBondContact O-N 3.47Å; A2079-S2082 PolarHBondContact O-N 2.8Å; A2079-A2083 VanDerWaalsContact O-CB 3.29Å; A2079-A2083 WeakPolarHBondContact O-CB 3.35Å; A2079-A2083 PolarHBondContact O-N 2.85Å
2080A65.9Low70.4Confident55 Ų5552.9 Ų52.946%0.45532%0.324SS..Hα-helixtrans-61.5-32.8177.800000113.3E2076 L2077E2076-A2080 VanDerWaalsContact O-CB 3.29Å; E2076-A2080 WeakPolarHBondContact O-CB 3.28Å; E2076-A2080 PolarHBondContact O-N 3.38Å; L2077-A2080 PolarHBondContact O-N 3.45Å
2081Q65.3Low69.4Low73 Ų7356.4 Ų56.434%0.34135%0.346SS..Hα-helixtrans-80.6-37.2171.7-82.5-162.6-4.600114.4R2004 W2007 L2077 A2078 A2079R2004-Q2081 VanDerWaalsContact NH2-OE1 3.11Å; W2007-Q2081 HydrophobicContact CH2-CG 4.12Å; W2007-Q2081 VanDerWaalsContact CH2-OE1 3.29Å; L2077-Q2081 PolarHBondContact O-N 2.7Å; A2078-Q2081 PolarHBondContact O-N 3.03Å; A2079-Q2081 VanDerWaalsContact C-N 3.28Å; A2079-Q2081 PolarHBondContact O-N 3.47Å
2082S58.1Low68.4Low67 Ų6754.6 Ų54.647%0.46934%0.343SS..Hα-helixtrans-86.7-11.8-175.3-45.70000113R2004 A2078 A2079R2004-S2082 PolarHBondContact NH1-OG 2.76Å; R2004-S2082 PolarHBondContact NH2-OG 3.37Å; A2078-S2082 WeakPolarHBondContact O-CB 3.45Å; A2078-S2082 PolarHBondContact O-N 3.38Å; A2078-S2082 PolarHBondContact O-OG 3.29Å; A2079-S2082 PolarHBondContact O-N 2.8Å
2083A44.7Very low67.3Low48 Ų4857.2 Ų57.240%0.39736%0.362SS..SBendtrans-51.612216400000108.1A2079 V2085A2079-A2083 VanDerWaalsContact O-CB 3.29Å; A2079-A2083 WeakPolarHBondContact O-CB 3.35Å; A2079-A2083 PolarHBondContact O-N 2.85Å; A2083-V2085 PolarHBondContact O-N 3.26Å
2084P41.6Very low65.8Low129 Ų12961.9 Ų61.984%0.83839%0.392SS*.  trans-59.4137.3-177.324.2-32.9000109.9
2085V35.8Very low64Low64 Ų6466.7 Ų66.739%0.38842%0.422SS..  trans-74.70-165.2-172.80000112.2F1629 R1653 R1654 A2083F1629-V2085 HydrophobicContact CE2-CB 4.44Å; F1629-V2085 WeakPolarHBondContact CE2-O 3.38Å; F1629-V2085 HydrophobicContact CZ-CB 3.93Å; F1629-V2085 HydrophobicContact CZ-CG1 4.2Å; R1653-V2085 HydrophobicContact CG-CG1 3.96Å; R1654-V2085 HydrophobicContact CG-CG1 3.45Å; R1654-V2085 VanDerWaalsContact CG-CG1 3.45Å; R1654-V2085 PolarHBondContact NE-OXT 3.26Å; R1654-V2085 PolarHBondContact NH2-OXT 3.09Å; A2083-V2085 PolarHBondContact O-N 3.26Å

Retrieved 2,085 of 2,085 residues in 520.8 ms (Link to these results)

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