A0A096N3Y9_PAPAN Loading...

V(D)J recombination-activating protein 2

AlphaFold DB , UniProt , Accession A0A096N3Y9, Species PAPAN (Papio anubis, Olive baboon), Gene RAG2, Length 532 aa.

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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
1M28.1Very low70.7Confident229 Ų22982.1 Ų82.1100%1.12845%0.445SS*.  0108.30-66.7-74.7-178.600104.6S3M1-S3 PolarHBondContact O-N 3.42Å
2P31.9Very low72.1Confident128 Ų12880 Ų8083%0.83144%0.437SS*.  trans-60.2125.6170.3-2.817.9000106.3E4P2-E4 PolarHBondContact O-N 2.84Å
3S38.4Very low72.9Confident67 Ų6774.6 Ų74.647%0.46941%0.408SS..  trans-66.1114.217346.40000107.8M1 N5M1-S3 PolarHBondContact O-N 3.42Å; S3-N5 PolarHBondContact O-N 3.25Å
4E57.3Low72.8Confident111 Ų11173.3 Ų73.352%0.51941%0.407SS..  trans-69.365.7168.7-69.1176.5178.400109.1P2 M6 M307P2-E4 PolarHBondContact O-N 2.84Å; E4-M6 PolarHBondContact O-N 3.14Å; E4-M307 HydrophobicContact CB-CE 4.41Å
5N69.1Low72.5Confident86 Ų8676.1 Ų76.146%0.4642%0.421SS..  trans-80.1107.1-174.1-88.5-10.1000109.9S3S3-N5 PolarHBondContact O-N 3.25Å
6M86.9Confident72.8Confident23 Ų2375.9 Ų75.911%0.11342%0.419CS..  trans-69.5135.7167.9-65.1-174.8-9600110.4E4 C292 M307 E308 P310 L353 K354E4-M6 PolarHBondContact O-N 3.14Å; M6-C292 HydrophobicContact CE-CB 3.88Å; M6-C292 HydrophobicContact SD-CB 4.24Å; M6-M307 HydrophobicContact CE-CB 3.83Å; M6-M307 HydrophobicContact CE-CE 4.14Å; M6-M307 HydrophobicContact CE-SD 4.17Å; M6-M307 HydrophobicContact SD-CE 4.4Å; M6-M307 HydrophobicContact SD-SD 4.47Å; M6-E308 WeakPolarHBondContact CE-O 3.34Å; M6-P310 HydrophobicContact CB-CG 4.22Å; M6-P310 HydrophobicContact CE-CG 3.72Å; M6-P310 HydrophobicContact SD-CG 3.77Å; M6-L353 HydrophobicContact CB-CD1 4.1Å; M6-L353 HydrophobicContact SD-CD2 4.36Å; M6-K354 VanDerWaalsContact CA-O 3.31Å; M6-K354 WeakPolarHBondContact CA-O 3.39Å
7S91.6Very high73.2Confident50 Ų5073.8 Ų73.835%0.3541%0.406SS..EExtended strand (participates in β ladder)trans-108.7119-179.9-1730000110.7L353 K354S7-L353 WeakPolarHBondContact O-CA 3.41Å; S7-K354 PolarHBondContact N-O 3.22Å; S7-K354 PolarHBondContact O-N 3.42Å
8L94.5Very high73.9Confident37 Ų3773.6 Ų73.619%0.19442%0.416CS..EExtended strand (participates in β ladder)trans-100.1127.5175.1-176.772.4000110D311 W312 T313 I316 Y351 L353L8-D311 WeakPolarHBondContact CD2-O 3.49Å; L8-W312 HydrophobicContact CD1-CE3 4.33Å; L8-W312 HydrophobicContact CD1-CZ3 4.02Å; L8-W312 HydrophobicContact CD2-CE3 3.97Å; L8-W312 HydrophobicContact CD2-CZ3 4.48Å; L8-T313 HydrophobicContact CD2-CG2 4.05Å; L8-I316 HydrophobicContact CD1-CD1 4.3Å; L8-I316 HydrophobicContact CD2-CD1 3.79Å; L8-Y351 HydrophobicContact CD1-CD1 4.29Å; L8-Y351 HydrophobicContact CD1-CG 4.41Å; L8-Y351 HydrophobicContact CD2-CD1 4.43Å; L8-Y351 HydrophobicContact CG-CD1 4.29Å; L8-L353 HydrophobicContact CB-CD1 3.99Å; L8-L353 HydrophobicContact CD1-CB 4.23Å; L8-L353 HydrophobicContact CD1-CD1 4.05Å
9Q93.8Very high74.9Confident72 Ų7270.8 Ų70.834%0.33640%0.4SS..EExtended strand (participates in β ladder)trans-130.7132178.3-61.3-174.18.400110.4N58 Y351 T352Q9-N58 PolarHBondContact OE1-ND2 3.18Å; Q9-N58 VanDerWaalsContact OE1-ND2 3.09Å; Q9-N58 PolarHBondContact OE1-OD1 3.17Å; Q9-Y351 CarbonylContact O-C 3.59Å; Q9-Y351 VanDerWaalsContact O-CA 3.24Å; Q9-Y351 WeakPolarHBondContact O-CA 3.49Å; Q9-T352 PolarHBondContact N-O 3.45Å; Q9-T352 PolarHBondContact O-N 3.44Å
10M93.5Very high75.9Confident97 Ų9767.4 Ų67.448%0.47838%0.38SS..EExtended strand (participates in β ladder)trans-72.1142.2171-173177.7179.600109.5Y349 Y351M10-Y349 HydrophobicContact CE-CD1 3.91Å; M10-Y349 HydrophobicContact CE-CG 4.44Å; M10-Y351 HydrophobicContact CB-CD1 3.99Å; M10-Y351 HydrophobicContact CB-CE1 3.87Å; M10-Y351 HydrophobicContact CG-CD1 4.37Å; M10-Y351 HydrophobicContact CG-CE1 4.04Å
11V92.5Very high76.8Confident3 Ų365.3 Ų65.32%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-127.3131.6-176.7179.40000109.9N58 V60 F333 F350 T352V11-N58 WeakPolarHBondContact CA-O 3.49Å; V11-N58 WeakPolarHBondContact CG1-O 3.34Å; V11-V60 HydrophobicContact CG1-CB 3.99Å; V11-V60 HydrophobicContact CG1-CG2 3.23Å; V11-F333 HydrophobicContact CG1-CE2 4.45Å; V11-F350 PolarHBondContact N-O 2.95Å; V11-T352 VanDerWaalsContact CG2-OG1 3.29Å; V11-T352 WeakPolarHBondContact CG2-OG1 3.15Å
12T87.8Confident80.1Confident57 Ų5756.1 Ų56.135%0.3533%0.325SS..EExtended strand (participates in β ladder)trans-90.9135.5176.452.50000109.8N58 H59 V60T12-N58 PolarHBondContact N-O 2.82Å; T12-N58 PolarHBondContact OG1-O 3.21Å; T12-H59 CarbonylContact O-C 3.54Å; T12-H59 WeakPolarHBondContact O-CA 3.37Å; T12-H59 PolarHBondContact OG1-CD2 3.29Å; T12-H59 PolarHBondContact OG1-NE2 2.99Å; T12-V60 PolarHBondContact O-N 3.09Å
13V81.9Confident83.1Confident10 Ų1050.5 Ų50.56%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-106.4116.8175.8-176.20000107.2I17 I20 V60 F350V13-I17 HydrophobicContact CB-CB 4.14Å; V13-I17 HydrophobicContact CB-CD1 4.13Å; V13-I17 HydrophobicContact CB-CG1 3.96Å; V13-I17 HydrophobicContact CG1-CB 3.9Å; V13-I17 HydrophobicContact CG1-CG1 4.13Å; V13-I17 HydrophobicContact CG2-CG1 4.45Å; V13-I20 HydrophobicContact CG1-CD1 4.37Å; V13-I20 HydrophobicContact CG2-CD1 4.29Å; V13-V60 HydrophobicContact CG1-CG1 4.24Å; V13-V60 HydrophobicContact CG2-CB 4.05Å; V13-V60 HydrophobicContact CG2-CG1 4.17Å; V13-F350 HydrophobicContact CB-CD2 4.46Å; V13-F350 HydrophobicContact CG2-CB 4.39Å; V13-F350 HydrophobicContact CG2-CD2 3.4Å; V13-F350 HydrophobicContact CG2-CE2 3.9Å; V13-F350 HydrophobicContact CG2-CG 4.04Å
14S72.2Confident86Confident56 Ų5647.8 Ų47.839%0.39227%0.27SS..  trans-71.8-81.2-174.6480000112.2V60 K61S14-V60 PolarHBondContact N-O 3.45Å; S14-V60 PolarHBondContact OG-O 2.78Å; S14-K61 WeakPolarHBondContact OG-CG 3.3Å
15N67.9Low87.9Confident116 Ų11642.9 Ų42.962%0.6225%0.248SC*.SBendtrans-107.8145.3-178.7-61.70.8000108.5
16N77.2Confident89.3Confident73 Ų7339.1 Ų39.139%0.3923%0.228SC..  trans75.823.5176.9-51-36.7000116.6A18 L19 L62N16-A18 PolarHBondContact O-N 2.83Å; N16-A18 VanDerWaalsContact O-N 3.15Å; N16-L19 HydrophobicContact CB-CD1 3.62Å; N16-L19 HydrophobicContact CB-CG 3.87Å; N16-L19 WeakPolarHBondContact O-CB 3.29Å; N16-L19 PolarHBondContact O-N 3.11Å; N16-L62 HydrophobicContact CB-CD1 4.21Å
17I80.8Confident89.8Confident39 Ų3938 Ų3820%0.222%0.223CC..G310 helixtrans-54.2-33.3173-163172.7000112.4V13 L19 I20 E346 F350V13-I17 HydrophobicContact CB-CB 4.14Å; V13-I17 HydrophobicContact CB-CD1 4.13Å; V13-I17 HydrophobicContact CB-CG1 3.96Å; V13-I17 HydrophobicContact CG1-CB 3.9Å; V13-I17 HydrophobicContact CG1-CG1 4.13Å; V13-I17 HydrophobicContact CG2-CG1 4.45Å; I17-L19 PolarHBondContact O-N 3.02Å; I17-L19 VanDerWaalsContact O-N 3.16Å; I17-I20 PolarHBondContact O-N 3.15Å; I17-I20 VanDerWaalsContact O-N 3.13Å; I17-E346 HydrophobicContact CD1-CB 4.35Å; I17-F350 HydrophobicContact CD1-CD2 4.39Å; I17-F350 HydrophobicContact CD1-CE2 3.91Å; I17-F350 HydrophobicContact CG1-CD2 4.47Å; I17-F350 HydrophobicContact CG1-CE2 3.65Å
18A85.6Confident89.9Confident70 Ų7036.9 Ų36.958%0.57921%0.212SC*.G310 helixtrans-62.9-18.717800000114.1N16 K39N16-A18 PolarHBondContact O-N 2.83Å; N16-A18 VanDerWaalsContact O-N 3.15Å; A18-K39 WeakPolarHBondContact O-CB 3.14Å; A18-K39 WeakPolarHBondContact O-CD 3.43Å
19L92.4Very high89.8Confident21 Ų2135.1 Ų35.111%0.1120%0.203CC..G310 helixtrans-76.1-26.3176.9-60.7-174.8000112.4N16 I17 Q38 K39 F51 L62N16-L19 HydrophobicContact CB-CD1 3.62Å; N16-L19 HydrophobicContact CB-CG 3.87Å; N16-L19 WeakPolarHBondContact O-CB 3.29Å; N16-L19 PolarHBondContact O-N 3.11Å; I17-L19 PolarHBondContact O-N 3.02Å; I17-L19 VanDerWaalsContact O-N 3.16Å; L19-Q38 HydrophobicContact CB-CB 4.21Å; L19-Q38 HydrophobicContact CD2-CB 4.41Å; L19-Q38 CarbonylContact O-C 3.45Å; L19-Q38 WeakPolarHBondContact O-CA 3.5Å; L19-K39 PolarHBondContact O-N 3.39Å; L19-F51 HydrophobicContact CD1-CE1 3.81Å; L19-F51 HydrophobicContact CD1-CE2 3.92Å; L19-F51 HydrophobicContact CD1-CZ 3.41Å; L19-F51 VanDerWaalsContact CD1-CZ 3.41Å; L19-L62 HydrophobicContact CB-CD1 4.36Å; L19-L62 HydrophobicContact CD1-CD1 4.39Å
20I94.3Very high89.4Confident2 Ų236 Ų361%0.0121%0.211CC..  trans-80.1127.3-176.5-55.5172.8000109V13 I17 F24 F35 L62 F323 F333 F350V13-I20 HydrophobicContact CG1-CD1 4.37Å; V13-I20 HydrophobicContact CG2-CD1 4.29Å; I17-I20 PolarHBondContact O-N 3.15Å; I17-I20 VanDerWaalsContact O-N 3.13Å; I20-F24 HydrophobicContact CG2-CD1 4.35Å; I20-F24 HydrophobicContact CG2-CE1 4.42Å; I20-F35 HydrophobicContact CB-CE2 4.46Å; I20-F35 HydrophobicContact CG1-CE2 4.1Å; I20-F35 HydrophobicContact CG1-CZ 4.31Å; I20-F35 HydrophobicContact CG2-CE2 4.33Å; I20-L62 HydrophobicContact CD1-CD1 4.42Å; I20-L62 HydrophobicContact CG1-CD1 4.15Å; I20-F323 HydrophobicContact CG2-CE2 4.17Å; I20-F333 HydrophobicContact CD1-CE1 4.29Å; I20-F350 HydrophobicContact CB-CE1 4.21Å; I20-F350 HydrophobicContact CB-CZ 3.78Å; I20-F350 HydrophobicContact CD1-CE1 4.16Å; I20-F350 HydrophobicContact CD1-CE2 4.2Å; I20-F350 HydrophobicContact CD1-CZ 3.86Å; I20-F350 HydrophobicContact CG1-CZ 4.42Å; I20-F350 HydrophobicContact CG2-CE1 3.49Å; I20-F350 VanDerWaalsContact CG2-CE1 3.49Å; I20-F350 HydrophobicContact CG2-CZ 3.57Å
21Q95Very high89.1Confident24 Ų2433.5 Ų33.511%0.11221%0.209CC..  trans-142156.7-179.162.1176.7-15.200111.3G23 F24 G37 Q38 K39 R78Q21-G23 PolarHBondContact O-N 3.06Å; Q21-F24 VanDerWaalsContact O-CD1 3.24Å; Q21-F24 WeakPolarHBondContact O-CD1 3.41Å; Q21-F24 PolarHBondContact O-N 2.6Å; Q21-G37 PolarHBondContact NE2-O 2.87Å; Q21-Q38 PolarHBondContact NE2-O 3.33Å; Q21-K39 HydrophobicContact CB-CB 4.23Å; Q21-K39 VanDerWaalsContact CD-CA 3.48Å; Q21-K39 HydrophobicContact CG-CB 4.28Å; Q21-R78 HydrophobicContact CG-CG 4.45Å; Q21-R78 VanDerWaalsContact NE2-CG 3.29Å
22P96.9Very high89Confident37 Ų3735.9 Ų35.924%0.2422%0.22CC..THydrogen-bonded Turntrans-53.6132.3171-2634.4000112.9Y79 F323 F348P22-Y79 WeakPolarHBondContact CB-OH 3.34Å; P22-F323 HydrophobicContact CB-CB 4.19Å; P22-F323 HydrophobicContact CB-CD1 4.25Å; P22-F323 HydrophobicContact CB-CD2 4.19Å; P22-F323 HydrophobicContact CB-CG 3.95Å; P22-F323 HydrophobicContact CG-CD1 3.74Å; P22-F323 HydrophobicContact CG-CD2 4.21Å; P22-F323 HydrophobicContact CG-CE1 3.87Å; P22-F323 HydrophobicContact CG-CE2 4.33Å; P22-F323 HydrophobicContact CG-CG 3.92Å; P22-F323 HydrophobicContact CG-CZ 4.17Å; P22-F348 HydrophobicContact CG-CZ 4.44Å
23G96.6Very high89.4Confident10 Ų1033.9 Ų33.910%0.10321%0.208CC..THydrogen-bonded Turntrans936.9-17900000115.3Q21 R78 Y79Q21-G23 PolarHBondContact O-N 3.06Å; G23-R78 CarbonylContact O-C 3.04Å; G23-R78 WeakPolarHBondContact O-CA 3.49Å; G23-Y79 VanDerWaalsContact CA-CD1 3.43Å; G23-Y79 PolarHBondContact O-N 3.2Å
24F98.3Very high90.1Very high10 Ų1033.4 Ų33.44%0.04421%0.205CC..  trans-61.6161.7168.177.9-81.2000112.1I20 Q21 L26 F35 F323 F333I20-F24 HydrophobicContact CG2-CD1 4.35Å; I20-F24 HydrophobicContact CG2-CE1 4.42Å; Q21-F24 VanDerWaalsContact O-CD1 3.24Å; Q21-F24 WeakPolarHBondContact O-CD1 3.41Å; Q21-F24 PolarHBondContact O-N 2.6Å; F24-L26 HydrophobicContact CD2-CD2 3.95Å; F24-L26 HydrophobicContact CD2-CG 4.05Å; F24-L26 HydrophobicContact CE2-CD1 3.91Å; F24-L26 HydrophobicContact CE2-CD2 3.7Å; F24-L26 HydrophobicContact CE2-CG 3.55Å; F24-F35 HydrophobicContact CB-CD2 4.2Å; F24-F35 HydrophobicContact CB-CE2 3.46Å; F24-F35 VanDerWaalsContact CB-CE2 3.46Å; F24-F35 HydrophobicContact CB-CZ 4.08Å; F24-F35 AromaticContact CD2-CD2 3.56Å; F24-F35 HydrophobicContact CD2-CD2 3.56Å; F24-F35 AromaticContact CD2-CE2 3.55Å; F24-F35 HydrophobicContact CD2-CE2 3.55Å; F24-F35 HydrophobicContact CE2-CD2 4.27Å; F24-F35 HydrophobicContact CE2-CE2 4.44Å; F24-F35 HydrophobicContact CG-CD2 4.15Å; F24-F35 AromaticContact CG-CE2 3.64Å; F24-F35 HydrophobicContact CG-CE2 3.64Å; F24-F323 AromaticContact CD1-CD2 3.95Å; F24-F323 HydrophobicContact CD1-CD2 3.95Å; F24-F323 HydrophobicContact CD1-CE2 4.05Å; F24-F323 AromaticContact CE1-CD2 3.63Å; F24-F323 HydrophobicContact CE1-CD2 3.63Å; F24-F323 AromaticContact CE1-CE2 3.79Å; F24-F323 HydrophobicContact CE1-CE2 3.79Å; F24-F333 HydrophobicContact CE2-CD1 4.17Å; F24-F333 AromaticContact CZ-CD1 3.78Å; F24-F333 HydrophobicContact CZ-CD1 3.78Å; F24-F333 HydrophobicContact CZ-CE1 4.46Å
25S98.3Very high91.3Very high7 Ų730.8 Ų30.85%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-122.1144.8175.8-59.30000110.7F36 P80S25-F36 PolarHBondContact N-O 3.02Å; S25-F36 PolarHBondContact O-N 2.92Å; S25-P80 WeakPolarHBondContact OG-CG 3.32Å
26L98.1Very high92.8Very high8 Ų825.3 Ų25.34%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-112.5135.7169.1-63.4-179000109.9F24 V33 F34 F35 L53 S325 N326 M327 F333F24-L26 HydrophobicContact CD2-CD2 3.95Å; F24-L26 HydrophobicContact CD2-CG 4.05Å; F24-L26 HydrophobicContact CE2-CD1 3.91Å; F24-L26 HydrophobicContact CE2-CD2 3.7Å; F24-L26 HydrophobicContact CE2-CG 3.55Å; L26-V33 HydrophobicContact CB-CG1 4.03Å; L26-V33 HydrophobicContact CD1-CG1 4.16Å; L26-V33 HydrophobicContact CD2-CG1 4.17Å; L26-V33 HydrophobicContact CG-CG1 4.33Å; L26-F34 CarbonylContact C-O 3.28Å; L26-F34 VanDerWaalsContact CA-O 3.29Å; L26-F34 WeakPolarHBondContact CA-O 3.22Å; L26-F35 HydrophobicContact CD2-CB 4.01Å; L26-F35 HydrophobicContact CD2-CD2 4.17Å; L26-L53 HydrophobicContact CD1-CD2 4.11Å; L26-L53 HydrophobicContact CD2-CD2 3.87Å; L26-S325 PolarHBondContact N-OG 3.25Å; L26-N326 WeakPolarHBondContact CB-O 3.34Å; L26-M327 HydrophobicContact CD1-CB 4.49Å; L26-M327 HydrophobicContact CD1-CG 3.6Å; L26-F333 HydrophobicContact CD1-CB 3.93Å
27M96.3Very high93.7Very high0 Ų021.8 Ų21.80%014%0.139CC..EExtended strand (participates in β ladder)trans-120.2125.8178.3-59.3173.4-68.600108.4F29 V33 F34 F36 V50 Y96 I98 M115M27-F29 HydrophobicContact CB-CD2 4.11Å; M27-F29 HydrophobicContact CB-CE2 3.71Å; M27-F29 HydrophobicContact SD-CE2 4.34Å; M27-V33 CarbonylContact O-C 3.59Å; M27-V33 WeakPolarHBondContact O-CA 3.42Å; M27-F34 HydrophobicContact CE-CB 4.34Å; M27-F34 PolarHBondContact N-O 3.18Å; M27-F34 PolarHBondContact O-N 2.96Å; M27-F36 HydrophobicContact CE-CB 3.8Å; M27-V50 HydrophobicContact CE-CG1 4.43Å; M27-Y96 HydrophobicContact CB-CD1 4.02Å; M27-Y96 HydrophobicContact CB-CD2 4.1Å; M27-Y96 HydrophobicContact CB-CE1 3.92Å; M27-Y96 HydrophobicContact CB-CE2 4Å; M27-Y96 HydrophobicContact CB-CG 4.09Å; M27-Y96 HydrophobicContact CG-CD1 3.66Å; M27-Y96 HydrophobicContact CG-CD2 4.47Å; M27-Y96 HydrophobicContact CG-CE1 3.92Å; M27-Y96 HydrophobicContact CG-CG 3.95Å; M27-Y96 HydrophobicContact SD-CD1 4.31Å; M27-Y96 HydrophobicContact SD-CG 4.16Å; M27-I98 HydrophobicContact SD-CD1 3.98Å; M27-M115 HydrophobicContact CE-SD 3.54Å; M27-M115 VanDerWaalsContact CE-SD 3.54Å; M27-M115 HydrophobicContact SD-SD 3.92Å
28N94.4Very high94.5Very high25 Ų2520 Ų2013%0.13413%0.129CC..EExtended strand (participates in β ladder)trans-101.3112178-173.3-41.4000109.2G31 Q32 Y96 M327N28-G31 VanDerWaalsContact OD1-CA 3.29Å; N28-G31 WeakPolarHBondContact OD1-CA 3.42Å; N28-G31 PolarHBondContact OD1-N 3.06Å; N28-Q32 WeakPolarHBondContact CA-O 3.33Å; N28-Y96 PolarHBondContact N-OH 2.79Å; N28-Y96 WeakPolarHBondContact O-CE2 3.35Å; N28-Y96 PolarHBondContact O-OH 3.27Å; N28-M327 PolarHBondContact ND2-O 2.93Å
29F91.7Very high94.9Very high1 Ų122.8 Ų22.80%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-112.3110.1172.7-69.6-92.9000109.3M27 G31 Q32 F34 H94 Y96 M115 I117 F127M27-F29 HydrophobicContact CB-CD2 4.11Å; M27-F29 HydrophobicContact CB-CE2 3.71Å; M27-F29 HydrophobicContact SD-CE2 4.34Å; F29-G31 VanDerWaalsContact C-N 3.27Å; F29-G31 PolarHBondContact O-N 3.07Å; F29-Q32 PolarHBondContact N-O 3.34Å; F29-Q32 PolarHBondContact O-N 3.14Å; F29-F34 HydrophobicContact CB-CD2 4.39Å; F29-F34 HydrophobicContact CB-CE2 4.06Å; F29-F34 AromaticContact CD2-CD2 3.79Å; F29-F34 HydrophobicContact CD2-CD2 3.79Å; F29-F34 HydrophobicContact CD2-CE2 4.22Å; F29-H94 WeakPolarHBondContact CE1-O 3.32Å; F29-Y96 HydrophobicContact CD1-CD2 4.32Å; F29-Y96 HydrophobicContact CD2-CD2 4.22Å; F29-Y96 HydrophobicContact CD2-CE2 4.26Å; F29-Y96 AromaticContact CE1-CD2 3.71Å; F29-Y96 HydrophobicContact CE1-CD2 3.71Å; F29-Y96 HydrophobicContact CE1-CE2 4.36Å; F29-Y96 AromaticContact CE2-CD2 3.6Å; F29-Y96 HydrophobicContact CE2-CD2 3.6Å; F29-Y96 HydrophobicContact CE2-CE2 4.06Å; F29-Y96 HydrophobicContact CE2-CG 4.32Å; F29-Y96 AromaticContact CZ-CD2 3.32Å; F29-Y96 HydrophobicContact CZ-CD2 3.32Å; F29-Y96 HydrophobicContact CZ-CE2 4.13Å; F29-Y96 HydrophobicContact CZ-CG 4.05Å; F29-M115 HydrophobicContact CZ-CB 4.48Å; F29-M115 HydrophobicContact CZ-CG 4.21Å; F29-I117 HydrophobicContact CB-CD1 3.35Å; F29-I117 HydrophobicContact CB-CG1 4.2Å; F29-I117 HydrophobicContact CD1-CD1 3.92Å; F29-I117 HydrophobicContact CD1-CG1 3.83Å; F29-I117 HydrophobicContact CE1-CG1 4.3Å; F29-I117 HydrophobicContact CG-CD1 3.73Å; F29-I117 HydrophobicContact CG-CG1 4.02Å; F29-F127 AromaticContact CD2-CE1 3.81Å; F29-F127 HydrophobicContact CD2-CE1 3.81Å; F29-F127 HydrophobicContact CD2-CZ 4.24Å; F29-F127 HydrophobicContact CE2-CD1 4.48Å; F29-F127 AromaticContact CE2-CE1 3.58Å; F29-F127 HydrophobicContact CE2-CE1 3.58Å; F29-F127 HydrophobicContact CE2-CZ 4.31Å; F29-F127 HydrophobicContact CG-CE1 4.36Å; F29-F127 AromaticContact CZ-CE1 3.96Å; F29-F127 HydrophobicContact CZ-CE1 3.96Å
30D85.8Confident95Very high91 Ų9123.5 Ų23.549%0.48714%0.14SC..THydrogen-bonded Turntrans50.645.4177.4-47.3-38.6000112.8Q32 H94 K120D30-Q32 VanDerWaalsContact C-N 3.28Å; D30-Q32 PolarHBondContact O-N 3.26Å; D30-H94 IonicContact OD1-CD2 3.62Å; D30-K120 IonicContact OD2-NZ 2.6Å; D30-K120 PolarHBondContact OD2-NZ 2.89Å
31G87Confident95.1Very high44 Ų4428.8 Ų28.845%0.45416%0.16SC..THydrogen-bonded Turntrans84-11.5179.100000115N28 F29N28-G31 VanDerWaalsContact OD1-CA 3.29Å; N28-G31 WeakPolarHBondContact OD1-CA 3.42Å; N28-G31 PolarHBondContact OD1-N 3.06Å; F29-G31 VanDerWaalsContact C-N 3.27Å; F29-G31 PolarHBondContact O-N 3.07Å
32Q91.6Very high95Very high53 Ų5329.4 Ų29.425%0.24817%0.167CC..EExtended strand (participates in β ladder)trans-90.3133.3173.4-72176.676.400110.7N28 F29 D30 F34N28-Q32 WeakPolarHBondContact CA-O 3.33Å; F29-Q32 PolarHBondContact N-O 3.34Å; F29-Q32 PolarHBondContact O-N 3.14Å; D30-Q32 VanDerWaalsContact C-N 3.28Å; D30-Q32 PolarHBondContact O-N 3.26Å; Q32-F34 HydrophobicContact CB-CE2 3.59Å; Q32-F34 HydrophobicContact CB-CZ 3.9Å; Q32-F34 WeakPolarHBondContact O-CD2 3.43Å; Q32-F34 WeakPolarHBondContact O-CE2 3.46Å
33V95.1Very high94.7Very high14 Ų1433 Ų339%0.08518%0.178CC..EExtended strand (participates in β ladder)trans-101.5130.8-175.3-171.90000110.2L26 M27 H52 L53 M327L26-V33 HydrophobicContact CB-CG1 4.03Å; L26-V33 HydrophobicContact CD1-CG1 4.16Å; L26-V33 HydrophobicContact CD2-CG1 4.17Å; L26-V33 HydrophobicContact CG-CG1 4.33Å; M27-V33 CarbonylContact O-C 3.59Å; M27-V33 WeakPolarHBondContact O-CA 3.42Å; V33-H52 PolarHBondContact O-CD2 3.48Å; V33-L53 HydrophobicContact CB-CB 4.35Å; V33-L53 HydrophobicContact CG1-CB 4.32Å; V33-L53 HydrophobicContact CG1-CD2 3.92Å; V33-L53 WeakPolarHBondContact O-CB 3.39Å; V33-L53 PolarHBondContact O-N 2.96Å; V33-M327 HydrophobicContact CG1-CB 4.32Å; V33-M327 HydrophobicContact CG1-CG 4.37Å; V33-M327 HydrophobicContact CG2-CB 4.16Å; V33-M327 HydrophobicContact CG2-CE 4.2Å; V33-M327 WeakPolarHBondContact CG2-O 3.39Å
34F96.6Very high94.3Very high0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-119.9131.8-178.9-62.7-88.7000110.8L26 M27 F29 Q32 V50 F51 H52 T65 V125 F127L26-F34 CarbonylContact C-O 3.28Å; L26-F34 VanDerWaalsContact CA-O 3.29Å; L26-F34 WeakPolarHBondContact CA-O 3.22Å; M27-F34 HydrophobicContact CE-CB 4.34Å; M27-F34 PolarHBondContact N-O 3.18Å; M27-F34 PolarHBondContact O-N 2.96Å; F29-F34 HydrophobicContact CB-CD2 4.39Å; F29-F34 HydrophobicContact CB-CE2 4.06Å; F29-F34 AromaticContact CD2-CD2 3.79Å; F29-F34 HydrophobicContact CD2-CD2 3.79Å; F29-F34 HydrophobicContact CD2-CE2 4.22Å; Q32-F34 HydrophobicContact CB-CE2 3.59Å; Q32-F34 HydrophobicContact CB-CZ 3.9Å; Q32-F34 WeakPolarHBondContact O-CD2 3.43Å; Q32-F34 WeakPolarHBondContact O-CE2 3.46Å; F34-V50 HydrophobicContact CB-CG1 4.44Å; F34-F51 CarbonylContact C-O 3.59Å; F34-F51 WeakPolarHBondContact CA-O 3.37Å; F34-H52 HydrophobicContact CD1-CB 4.03Å; F34-H52 HydrophobicContact CE1-CB 3.78Å; F34-T65 HydrophobicContact CD1-CG2 3.89Å; F34-T65 HydrophobicContact CE1-CG2 3.94Å; F34-V125 HydrophobicContact CE1-CB 4.09Å; F34-V125 HydrophobicContact CE1-CG1 4.41Å; F34-V125 HydrophobicContact CE1-CG2 4.25Å; F34-V125 HydrophobicContact CZ-CB 3.99Å; F34-V125 HydrophobicContact CZ-CG1 4.1Å; F34-V125 HydrophobicContact CZ-CG2 3.78Å; F34-F127 HydrophobicContact CB-CZ 4.35Å; F34-F127 AromaticContact CD1-CE2 3.53Å; F34-F127 HydrophobicContact CD1-CE2 3.53Å; F34-F127 AromaticContact CD1-CZ 3.48Å; F34-F127 HydrophobicContact CD1-CZ 3.48Å; F34-F127 VanDerWaalsContact CD1-CZ 3.48Å; F34-F127 AromaticContact CD2-CZ 3.75Å; F34-F127 HydrophobicContact CD2-CZ 3.75Å; F34-F127 AromaticContact CE1-CE2 3.59Å; F34-F127 HydrophobicContact CE1-CE2 3.59Å; F34-F127 AromaticContact CE1-CZ 3.57Å; F34-F127 HydrophobicContact CE1-CZ 3.57Å; F34-F127 AromaticContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CG-CE2 4.07Å; F34-F127 AromaticContact CG-CZ 3.56Å; F34-F127 HydrophobicContact CG-CZ 3.56Å; F34-F127 HydrophobicContact CZ-CE2 4.19Å; F34-F127 AromaticContact CZ-CZ 3.75Å; F34-F127 HydrophobicContact CZ-CZ 3.75Å
35F97.8Very high93.8Very high1 Ų147.1 Ų47.10%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-91.6132.1177.5170.1-91000110.8I20 F24 L26 Q38 V50 F51 L62I20-F35 HydrophobicContact CB-CE2 4.46Å; I20-F35 HydrophobicContact CG1-CE2 4.1Å; I20-F35 HydrophobicContact CG1-CZ 4.31Å; I20-F35 HydrophobicContact CG2-CE2 4.33Å; F24-F35 HydrophobicContact CB-CD2 4.2Å; F24-F35 HydrophobicContact CB-CE2 3.46Å; F24-F35 VanDerWaalsContact CB-CE2 3.46Å; F24-F35 HydrophobicContact CB-CZ 4.08Å; F24-F35 AromaticContact CD2-CD2 3.56Å; F24-F35 HydrophobicContact CD2-CD2 3.56Å; F24-F35 AromaticContact CD2-CE2 3.55Å; F24-F35 HydrophobicContact CD2-CE2 3.55Å; F24-F35 HydrophobicContact CE2-CD2 4.27Å; F24-F35 HydrophobicContact CE2-CE2 4.44Å; F24-F35 HydrophobicContact CG-CD2 4.15Å; F24-F35 AromaticContact CG-CE2 3.64Å; F24-F35 HydrophobicContact CG-CE2 3.64Å; L26-F35 HydrophobicContact CD2-CB 4.01Å; L26-F35 HydrophobicContact CD2-CD2 4.17Å; F35-Q38 HydrophobicContact CE1-CB 3.91Å; F35-V50 WeakPolarHBondContact O-CA 3.49Å; F35-F51 HydrophobicContact CB-CB 4.38Å; F35-F51 HydrophobicContact CD1-CB 4.39Å; F35-F51 AromaticContact CD1-CD2 3.81Å; F35-F51 HydrophobicContact CD1-CD2 3.81Å; F35-F51 HydrophobicContact CD1-CG 4.45Å; F35-F51 HydrophobicContact CE1-CD2 4.32Å; F35-F51 PolarHBondContact N-O 3.3Å; F35-F51 PolarHBondContact O-N 2.92Å; F35-L62 HydrophobicContact CB-CD2 3.88Å; F35-L62 HydrophobicContact CD1-CD2 4.28Å; F35-L62 HydrophobicContact CG-CD2 4.07Å
36F98.3Very high93.5Very high1 Ų146.8 Ų46.80%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-136.8149.9175.4170.5-112.4000110.9S25 M27 V50 L74 P75 L77 P80 I98S25-F36 PolarHBondContact N-O 3.02Å; S25-F36 PolarHBondContact O-N 2.92Å; M27-F36 HydrophobicContact CE-CB 3.8Å; F36-V50 HydrophobicContact CD2-CG2 3.91Å; F36-L74 HydrophobicContact CD2-CD1 4.45Å; F36-L74 HydrophobicContact CE1-CD1 4.16Å; F36-L74 HydrophobicContact CE2-CD1 3.58Å; F36-L74 HydrophobicContact CE2-CD2 4.2Å; F36-L74 HydrophobicContact CE2-CG 3.7Å; F36-L74 HydrophobicContact CZ-CD1 3.4Å; F36-L74 VanDerWaalsContact CZ-CD1 3.4Å; F36-L74 HydrophobicContact CZ-CG 3.9Å; F36-P75 WeakPolarHBondContact CZ-O 3.47Å; F36-L77 HydrophobicContact CE1-CB 3.88Å; F36-L77 HydrophobicContact CE1-CD1 4.26Å; F36-L77 HydrophobicContact CE1-CG 4.43Å; F36-L77 HydrophobicContact CZ-CB 3.9Å; F36-L77 HydrophobicContact CZ-CD1 4.02Å; F36-L77 HydrophobicContact CZ-CG 4.07Å; F36-P80 HydrophobicContact CE1-CG 4.5Å; F36-I98 HydrophobicContact CD1-CD1 4.14Å; F36-I98 HydrophobicContact CE1-CD1 4.11Å; F36-I98 HydrophobicContact CE1-CG2 4.01Å
37G97.3Very high93.2Very high0 Ų049.8 Ų49.80%026%0.259CS..  trans92.341.4-178.300000113.2Q21Q21-G37 PolarHBondContact NE2-O 2.87Å
38Q96.4Very high93.1Very high2 Ų250 Ų501%0.00926%0.26CS..  trans-55.5153.217666.4161.979.200113.2L19 Q21 F35 W41 F51 P76L19-Q38 HydrophobicContact CB-CB 4.21Å; L19-Q38 HydrophobicContact CD2-CB 4.41Å; L19-Q38 CarbonylContact O-C 3.45Å; L19-Q38 WeakPolarHBondContact O-CA 3.5Å; Q21-Q38 PolarHBondContact NE2-O 3.33Å; F35-Q38 HydrophobicContact CE1-CB 3.91Å; Q38-W41 PolarHBondContact NE2-O 2.94Å; Q38-F51 HydrophobicContact CB-CE2 4.35Å; Q38-F51 VanDerWaalsContact OE1-CE2 3.28Å; Q38-P76 HydrophobicContact CG-CB 4.01Å; Q38-P76 HydrophobicContact CG-CG 3.75Å; Q38-P76 WeakPolarHBondContact O-CB 3.2Å
39K95.3Very high93.1Very high128 Ų12848.9 Ų48.956%0.55726%0.255SS*.SBendtrans-65134.4170.4-167.7179177.9-173.60110.6A18 L19 Q21A18-K39 WeakPolarHBondContact O-CB 3.14Å; A18-K39 WeakPolarHBondContact O-CD 3.43Å; L19-K39 PolarHBondContact O-N 3.39Å; Q21-K39 HydrophobicContact CB-CB 4.23Å; Q21-K39 VanDerWaalsContact CD-CA 3.48Å; Q21-K39 HydrophobicContact CG-CB 4.28Å
40G93.8Very high93.4Very high35 Ų3548.8 Ų48.836%0.36125%0.254SS..SBendtrans69.8-172.6-176.800000113.3
41W96.1Very high93.8Very high113 Ų11344.6 Ų44.643%0.42823%0.232SC..SBendtrans-76.5154.8174-73.198.2000111.5Q38 K43 P75 P104 N105Q38-W41 PolarHBondContact NE2-O 2.94Å; W41-K43 PolarHBondContact O-N 3.4Å; W41-P75 HydrophobicContact CH2-CB 4.15Å; W41-P75 HydrophobicContact CZ3-CB 3.87Å; W41-P104 HydrophobicContact CD2-CB 4.21Å; W41-P104 HydrophobicContact CD2-CG 3.86Å; W41-P104 HydrophobicContact CE3-CG 4.29Å; W41-P104 HydrophobicContact CG-CB 4.19Å; W41-P104 HydrophobicContact CG-CG 4.12Å; W41-P104 HydrophobicContact CZ2-CB 4.46Å; W41-P104 HydrophobicContact CZ2-CG 4.31Å; W41-N105 PolarHBondContact NE1-OD1 2.78Å
42P93.6Very high94.2Very high38 Ų3843.9 Ų43.925%0.24722%0.217CC..PPolyproline II helixtrans-55132.5175.3-24.436000111.5P47 P76P42-P47 VanDerWaalsContact CB-O 3.28Å; P42-P47 WeakPolarHBondContact CB-O 3.46Å; P42-P76 HydrophobicContact CG-CG 3.81Å
43K90.1Very high94.3Very high112 Ų11241.7 Ų41.749%0.48721%0.206SC..PPolyproline II helixtrans-88.7163.4177.6-66.6-166174.5-163.20110.3W41 S45 C46W41-K43 PolarHBondContact O-N 3.4Å; K43-S45 PolarHBondContact O-N 2.68Å; K43-S45 VanDerWaalsContact O-N 3.08Å; K43-C46 CarbonylContact O-C 3.53Å; K43-C46 PolarHBondContact O-N 2.95Å
44R88.5Confident94.1Very high230 Ų23042 Ų4287%0.86821%0.208SC*.THydrogen-bonded Turntrans-53.5-30.3175.3-74.7-167.6-84.3-178.1-5.3113.4C46 P47R44-C46 VanDerWaalsContact C-N 3.28Å; R44-C46 PolarHBondContact O-N 2.86Å; R44-P47 WeakPolarHBondContact O-CD 3.45Å
45S88.3Confident93.7Very high86 Ų8644.4 Ų44.460%0.60122%0.222SC*.THydrogen-bonded Turntrans-66-26.1176.256.20000114.1K43 P64K43-S45 PolarHBondContact O-N 2.68Å; K43-S45 VanDerWaalsContact O-N 3.08Å; S45-P64 WeakPolarHBondContact O-CG 3.43Å
46C91.8Very high93.2Very high1 Ų149.9 Ų49.91%0.00725%0.246CC..  trans-151.482.8174.4-1720000109.9K43 R44 T48 G49 V50 F51 P64K43-C46 CarbonylContact O-C 3.53Å; K43-C46 PolarHBondContact O-N 2.95Å; R44-C46 VanDerWaalsContact C-N 3.28Å; R44-C46 PolarHBondContact O-N 2.86Å; C46-T48 PolarHBondContact O-N 3.13Å; C46-T48 VanDerWaalsContact O-N 3.16Å; C46-T48 PolarHBondContact SG-OG1 2.94Å; C46-T48 VanDerWaalsContact SG-OG1 3.38Å; C46-G49 PolarHBondContact O-N 3.07Å; C46-G49 VanDerWaalsContact O-N 3.12Å; C46-V50 PolarHBondContact SG-O 2.89Å; C46-V50 VanDerWaalsContact SG-O 3.37Å; C46-F51 HydrophobicContact CB-CD1 4.33Å; C46-F51 HydrophobicContact CB-CE1 3.38Å; C46-F51 HydrophobicContact CB-CE2 4.27Å; C46-F51 HydrophobicContact CB-CZ 3.35Å; C46-F51 VanDerWaalsContact SG-CE1 3.53Å; C46-F51 WeakPolarHBondContact SG-CZ 3.06Å; C46-P64 HydrophobicContact CB-CB 3.88Å; C46-P64 HydrophobicContact CB-CG 4.11Å
47P92.4Very high92.5Very high71 Ų7158.3 Ų58.346%0.46129%0.285SS..THydrogen-bonded Turntrans-64.7-21.2-175.3-23.634.9000113.8P42 R44 G49 Y73P42-P47 VanDerWaalsContact CB-O 3.28Å; P42-P47 WeakPolarHBondContact CB-O 3.46Å; R44-P47 WeakPolarHBondContact O-CD 3.45Å; P47-G49 VanDerWaalsContact C-N 3.34Å; P47-Y73 HydrophobicContact CB-CE1 4.19Å; P47-Y73 WeakPolarHBondContact O-CD1 3.48Å
48T93.9Very high92Very high4 Ų461.4 Ų61.43%0.02530%0.301CS..THydrogen-bonded Turntrans-75.7-23.7178.258.40000112.6C46 V50 T65 F67 Y73C46-T48 PolarHBondContact O-N 3.13Å; C46-T48 VanDerWaalsContact O-N 3.16Å; C46-T48 PolarHBondContact SG-OG1 2.94Å; C46-T48 VanDerWaalsContact SG-OG1 3.38Å; T48-V50 PolarHBondContact O-N 2.71Å; T48-V50 PolarHBondContact OG1-N 2.97Å; T48-V50 PolarHBondContact OG1-O 3.23Å; T48-T65 WeakPolarHBondContact CG2-O 3.37Å; T48-T65 PolarHBondContact OG1-O 2.85Å; T48-F67 HydrophobicContact CG2-CB 4.03Å; T48-F67 HydrophobicContact CG2-CD1 3.55Å; T48-F67 HydrophobicContact CG2-CD2 3.97Å; T48-F67 HydrophobicContact CG2-CE1 3.96Å; T48-F67 HydrophobicContact CG2-CE2 4.33Å; T48-F67 HydrophobicContact CG2-CG 3.56Å; T48-F67 HydrophobicContact CG2-CZ 4.33Å; T48-Y73 HydrophobicContact CG2-CE1 3.87Å
49G94.8Very high91.7Very high1 Ų166 Ų661%0.0132%0.323CS..  trans6413.2-171.400000114.6C46 P47C46-G49 PolarHBondContact O-N 3.07Å; C46-G49 VanDerWaalsContact O-N 3.12Å; P47-G49 VanDerWaalsContact C-N 3.34Å
50V96.6Very high91.5Very high0 Ų059.9 Ų59.90%030%0.296CS..EExtended strand (participates in β ladder)trans-115.2132.6178.1179.80000109.1M27 F34 F35 F36 C46 T48 T65 F67 M115 F127M27-V50 HydrophobicContact CE-CG1 4.43Å; F34-V50 HydrophobicContact CB-CG1 4.44Å; F35-V50 WeakPolarHBondContact O-CA 3.49Å; F36-V50 HydrophobicContact CD2-CG2 3.91Å; C46-V50 PolarHBondContact SG-O 2.89Å; C46-V50 VanDerWaalsContact SG-O 3.37Å; T48-V50 PolarHBondContact O-N 2.71Å; T48-V50 PolarHBondContact OG1-N 2.97Å; T48-V50 PolarHBondContact OG1-O 3.23Å; V50-T65 VanDerWaalsContact C-OG1 3.3Å; V50-T65 WeakPolarHBondContact CB-OG1 3.49Å; V50-T65 WeakPolarHBondContact CG1-OG1 3.39Å; V50-T65 PolarHBondContact O-N 2.72Å; V50-T65 VanDerWaalsContact O-N 3.11Å; V50-T65 PolarHBondContact O-OG1 2.51Å; V50-F67 HydrophobicContact CB-CE1 4.34Å; V50-F67 HydrophobicContact CG2-CE1 4.05Å; V50-F67 HydrophobicContact CG2-CZ 3.91Å; V50-M115 HydrophobicContact CG2-CE 4.25Å; V50-M115 HydrophobicContact CG2-SD 4.48Å; V50-F127 HydrophobicContact CG1-CD2 4.44Å; V50-F127 HydrophobicContact CG1-CE2 4.27Å
51F95.6Very high91.4Very high3 Ų363.7 Ų63.71%0.01330%0.303CS..EExtended strand (participates in β ladder)trans-129.3142.2-173.3-59.7-101000110.7L19 F34 F35 Q38 C46 L53 L62 K63 P64L19-F51 HydrophobicContact CD1-CE1 3.81Å; L19-F51 HydrophobicContact CD1-CE2 3.92Å; L19-F51 HydrophobicContact CD1-CZ 3.41Å; L19-F51 VanDerWaalsContact CD1-CZ 3.41Å; F34-F51 CarbonylContact C-O 3.59Å; F34-F51 WeakPolarHBondContact CA-O 3.37Å; F35-F51 HydrophobicContact CB-CB 4.38Å; F35-F51 HydrophobicContact CD1-CB 4.39Å; F35-F51 AromaticContact CD1-CD2 3.81Å; F35-F51 HydrophobicContact CD1-CD2 3.81Å; F35-F51 HydrophobicContact CD1-CG 4.45Å; F35-F51 HydrophobicContact CE1-CD2 4.32Å; F35-F51 PolarHBondContact N-O 3.3Å; F35-F51 PolarHBondContact O-N 2.92Å; Q38-F51 HydrophobicContact CB-CE2 4.35Å; Q38-F51 VanDerWaalsContact OE1-CE2 3.28Å; C46-F51 HydrophobicContact CB-CD1 4.33Å; C46-F51 HydrophobicContact CB-CE1 3.38Å; C46-F51 HydrophobicContact CB-CE2 4.27Å; C46-F51 HydrophobicContact CB-CZ 3.35Å; C46-F51 VanDerWaalsContact SG-CE1 3.53Å; C46-F51 WeakPolarHBondContact SG-CZ 3.06Å; F51-L53 PolarHBondContact O-N 3.03Å; F51-L62 HydrophobicContact CB-CB 4.08Å; F51-L62 HydrophobicContact CB-CD2 4Å; F51-L62 HydrophobicContact CD1-CB 3.98Å; F51-L62 HydrophobicContact CG-CB 4.21Å; F51-K63 CarbonylContact C-O 3.54Å; F51-K63 VanDerWaalsContact CA-O 3.23Å; F51-K63 WeakPolarHBondContact CA-O 3.32Å; F51-P64 HydrophobicContact CE1-CG 4.4Å
52H94.4Very high91.3Very high29 Ų2958.8 Ų58.813%0.13429%0.285CS..EExtended strand (participates in β ladder)trans-73.7120.5163.2178-165.4000108.2V33 F34 D54 K63 T65V33-H52 PolarHBondContact O-CD2 3.48Å; F34-H52 HydrophobicContact CD1-CB 4.03Å; F34-H52 HydrophobicContact CE1-CB 3.78Å; H52-D54 PolarHBondContact O-N 3.2Å; H52-K63 HydrophobicContact CB-CB 4.3Å; H52-K63 PolarHBondContact N-O 3.24Å; H52-K63 PolarHBondContact O-N 3.26Å; H52-T65 HydrophobicContact CB-CG2 4.25Å
53L94Very high91.2Very high6 Ų661.1 Ų61.13%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-87.891.1175.5-175.176.6000108.8L26 V33 F51 V55 V60 L62 M327L26-L53 HydrophobicContact CD1-CD2 4.11Å; L26-L53 HydrophobicContact CD2-CD2 3.87Å; V33-L53 HydrophobicContact CB-CB 4.35Å; V33-L53 HydrophobicContact CG1-CB 4.32Å; V33-L53 HydrophobicContact CG1-CD2 3.92Å; V33-L53 WeakPolarHBondContact O-CB 3.39Å; V33-L53 PolarHBondContact O-N 2.96Å; F51-L53 PolarHBondContact O-N 3.03Å; L53-V55 HydrophobicContact CG-CG2 4.27Å; L53-V60 HydrophobicContact CD1-CG1 3.47Å; L53-V60 VanDerWaalsContact CD1-CG1 3.47Å; L53-V60 HydrophobicContact CD1-CG2 4.45Å; L53-L62 HydrophobicContact CB-CD2 4.44Å; L53-L62 HydrophobicContact CD1-CD2 3.48Å; L53-L62 VanDerWaalsContact CD1-CD2 3.48Å; L53-L62 HydrophobicContact CD1-CG 4.49Å; L53-M327 HydrophobicContact CD2-CE 4.04Å
54D89.9Confident91.4Very high22 Ų2258.8 Ų58.812%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-89.4113.3179-172.516.7000109.4H52 K56 V60 K61 K63H52-D54 PolarHBondContact O-N 3.2Å; D54-K56 WeakPolarHBondContact OD1-CE 3.43Å; D54-K56 WeakPolarHBondContact OD1-CG 3.24Å; D54-K56 WeakPolarHBondContact OD2-CE 3.13Å; D54-K56 IonicContact OD2-NZ 3.53Å; D54-V60 WeakPolarHBondContact O-CA 3.38Å; D54-K61 PolarHBondContact N-O 3Å; D54-K61 PolarHBondContact O-N 3.16Å; D54-K63 WeakPolarHBondContact OD2-CE 3.34Å; D54-K63 IonicContact OD2-NZ 3.73Å; D54-K63 PolarHBondContact OD2-NZ 3.01Å
55V88.5Confident91.6Very high50 Ų5048.1 Ų48.130%0.30325%0.248SC..EExtended strand (participates in β ladder)trans-107110.1177.9-171.60000109.2L53 H59 V60 M327L53-V55 HydrophobicContact CG-CG2 4.27Å; V55-H59 WeakPolarHBondContact CA-O 3.28Å; V55-V60 HydrophobicContact CG1-CG2 4.36Å; V55-V60 HydrophobicContact CG2-CG2 3.73Å; V55-M327 HydrophobicContact CG2-CE 3.65Å
56K87Confident91.8Very high116 Ų11646.9 Ų46.950%0.50423%0.234SC..EExtended strand (participates in β ladder)trans-131.8128.6179-66.3-173.5178.6-172.70110.7D54 N58 H59D54-K56 WeakPolarHBondContact OD1-CE 3.43Å; D54-K56 WeakPolarHBondContact OD1-CG 3.24Å; D54-K56 WeakPolarHBondContact OD2-CE 3.13Å; D54-K56 IonicContact OD2-NZ 3.53Å; K56-N58 PolarHBondContact O-N 3.2Å; K56-H59 PolarHBondContact N-O 3.23Å; K56-H59 WeakPolarHBondContact O-CB 3.32Å; K56-H59 PolarHBondContact O-N 2.95Å
57H85.1Confident91.9Very high177 Ų17747.7 Ų47.782%0.81924%0.237SC*.THydrogen-bonded Turntrans48.244.3179.8-51.6101.9000112.4H59H57-H59 PolarHBondContact O-N 2.78Å; H57-H59 VanDerWaalsContact O-N 3.16Å; H57-H59 PolarHBondContact O-ND1 2.88Å
58N86.6Confident91.9Very high65 Ų6545.1 Ų45.135%0.34822%0.221SC..THydrogen-bonded Turntrans59.522.6-176.9-59.2-18.5000115.3Q9 V11 T12 K56Q9-N58 PolarHBondContact OE1-ND2 3.18Å; Q9-N58 VanDerWaalsContact OE1-ND2 3.09Å; Q9-N58 PolarHBondContact OE1-OD1 3.17Å; V11-N58 WeakPolarHBondContact CA-O 3.49Å; V11-N58 WeakPolarHBondContact CG1-O 3.34Å; T12-N58 PolarHBondContact N-O 2.82Å; T12-N58 PolarHBondContact OG1-O 3.21Å; K56-N58 PolarHBondContact O-N 3.2Å
59H90Very high91.8Very high99 Ų9954.8 Ų54.846%0.45826%0.263SS..EExtended strand (participates in β ladder)trans-111.5126.3169.3-66.269.1000109.4T12 V55 K56 H57T12-H59 CarbonylContact O-C 3.54Å; T12-H59 WeakPolarHBondContact O-CA 3.37Å; T12-H59 PolarHBondContact OG1-CD2 3.29Å; T12-H59 PolarHBondContact OG1-NE2 2.99Å; V55-H59 WeakPolarHBondContact CA-O 3.28Å; K56-H59 PolarHBondContact N-O 3.23Å; K56-H59 WeakPolarHBondContact O-CB 3.32Å; K56-H59 PolarHBondContact O-N 2.95Å; H57-H59 PolarHBondContact O-N 2.78Å; H57-H59 VanDerWaalsContact O-N 3.16Å; H57-H59 PolarHBondContact O-ND1 2.88Å
60V91.2Very high91.7Very high0 Ų059 Ų590%029%0.285CS..EExtended strand (participates in β ladder)trans-92.4132.7173.3162.40000109.9V11 T12 V13 S14 L53 D54 V55 F333V11-V60 HydrophobicContact CG1-CB 3.99Å; V11-V60 HydrophobicContact CG1-CG2 3.23Å; T12-V60 PolarHBondContact O-N 3.09Å; V13-V60 HydrophobicContact CG1-CG1 4.24Å; V13-V60 HydrophobicContact CG2-CB 4.05Å; V13-V60 HydrophobicContact CG2-CG1 4.17Å; S14-V60 PolarHBondContact N-O 3.45Å; S14-V60 PolarHBondContact OG-O 2.78Å; L53-V60 HydrophobicContact CD1-CG1 3.47Å; L53-V60 VanDerWaalsContact CD1-CG1 3.47Å; L53-V60 HydrophobicContact CD1-CG2 4.45Å; D54-V60 WeakPolarHBondContact O-CA 3.38Å; V55-V60 HydrophobicContact CG1-CG2 4.36Å; V55-V60 HydrophobicContact CG2-CG2 3.73Å; V60-F333 HydrophobicContact CG2-CE2 4Å; V60-F333 HydrophobicContact CG2-CZ 4.3Å
61K92Very high91.5Very high115 Ų11559.8 Ų59.850%0.529%0.29SS..EExtended strand (participates in β ladder)trans-125.3127.6168.5-69.7-173.9177.4-171.90110S14 D54S14-K61 WeakPolarHBondContact OG-CG 3.3Å; D54-K61 PolarHBondContact N-O 3Å; D54-K61 PolarHBondContact O-N 3.16Å
62L93.1Very high91.5Very high10 Ų1061.2 Ų61.25%0.05230%0.3CS..EExtended strand (participates in β ladder)trans-92.4110170.9-66.8175.9000109.2N16 L19 I20 F35 F51 L53N16-L62 HydrophobicContact CB-CD1 4.21Å; L19-L62 HydrophobicContact CB-CD1 4.36Å; L19-L62 HydrophobicContact CD1-CD1 4.39Å; I20-L62 HydrophobicContact CD1-CD1 4.42Å; I20-L62 HydrophobicContact CG1-CD1 4.15Å; F35-L62 HydrophobicContact CB-CD2 3.88Å; F35-L62 HydrophobicContact CD1-CD2 4.28Å; F35-L62 HydrophobicContact CG-CD2 4.07Å; F51-L62 HydrophobicContact CB-CB 4.08Å; F51-L62 HydrophobicContact CB-CD2 4Å; F51-L62 HydrophobicContact CD1-CB 3.98Å; F51-L62 HydrophobicContact CG-CB 4.21Å; L53-L62 HydrophobicContact CB-CD2 4.44Å; L53-L62 HydrophobicContact CD1-CD2 3.48Å; L53-L62 VanDerWaalsContact CD1-CD2 3.48Å; L53-L62 HydrophobicContact CD1-CG 4.49Å
63K92.3Very high91.5Very high87 Ų8766.4 Ų66.438%0.37832%0.32SS..EExtended strand (participates in β ladder)trans-101.9128.3178.1-61.5179.5-169.9167.20110.4F51 H52 D54F51-K63 CarbonylContact C-O 3.54Å; F51-K63 VanDerWaalsContact CA-O 3.23Å; F51-K63 WeakPolarHBondContact CA-O 3.32Å; H52-K63 HydrophobicContact CB-CB 4.3Å; H52-K63 PolarHBondContact N-O 3.24Å; H52-K63 PolarHBondContact O-N 3.26Å; D54-K63 WeakPolarHBondContact OD2-CE 3.34Å; D54-K63 IonicContact OD2-NZ 3.73Å; D54-K63 PolarHBondContact OD2-NZ 3.01Å
64P92.5Very high91.6Very high62 Ų6266.5 Ų66.540%0.40332%0.32SS..EExtended strand (participates in β ladder)trans-55.9140.7178.2-26.735.3000112.8S45 C46 F51S45-P64 WeakPolarHBondContact O-CG 3.43Å; C46-P64 HydrophobicContact CB-CB 3.88Å; C46-P64 HydrophobicContact CB-CG 4.11Å; F51-P64 HydrophobicContact CE1-CG 4.4Å
65T92.8Very high91.9Very high6 Ų666.4 Ų66.44%0.03732%0.321CS..  trans-110.9162.3172.666.40000110.6F34 T48 V50 H52 F127F34-T65 HydrophobicContact CD1-CG2 3.89Å; F34-T65 HydrophobicContact CE1-CG2 3.94Å; T48-T65 WeakPolarHBondContact CG2-O 3.37Å; T48-T65 PolarHBondContact OG1-O 2.85Å; V50-T65 VanDerWaalsContact C-OG1 3.3Å; V50-T65 WeakPolarHBondContact CB-OG1 3.49Å; V50-T65 WeakPolarHBondContact CG1-OG1 3.39Å; V50-T65 PolarHBondContact O-N 2.72Å; V50-T65 VanDerWaalsContact O-N 3.11Å; V50-T65 PolarHBondContact O-OG1 2.51Å; H52-T65 HydrophobicContact CB-CG2 4.25Å; T65-F127 HydrophobicContact CG2-CD2 4.48Å; T65-F127 HydrophobicContact CG2-CE2 3.98Å
66I92.8Very high92.4Very high60 Ų6064.1 Ų64.131%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-116.7151.7-178.758.3171.6000110.9T126 F127I66-T126 WeakPolarHBondContact CD1-OG1 3.42Å; I66-T126 HydrophobicContact CG1-CG2 4.27Å; I66-T126 WeakPolarHBondContact O-CA 3.4Å; I66-F127 PolarHBondContact O-N 3.45Å
67F94.9Very high92.9Very high18 Ų1858.6 Ų58.68%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-101.8149.9174.7-77.73.7000110.6T48 V50 Y73 L74 M115 F127 C129T48-F67 HydrophobicContact CG2-CB 4.03Å; T48-F67 HydrophobicContact CG2-CD1 3.55Å; T48-F67 HydrophobicContact CG2-CD2 3.97Å; T48-F67 HydrophobicContact CG2-CE1 3.96Å; T48-F67 HydrophobicContact CG2-CE2 4.33Å; T48-F67 HydrophobicContact CG2-CG 3.56Å; T48-F67 HydrophobicContact CG2-CZ 4.33Å; V50-F67 HydrophobicContact CB-CE1 4.34Å; V50-F67 HydrophobicContact CG2-CE1 4.05Å; V50-F67 HydrophobicContact CG2-CZ 3.91Å; F67-Y73 HydrophobicContact CD2-CD1 4.25Å; F67-Y73 HydrophobicContact CD2-CD2 4.49Å; F67-Y73 HydrophobicContact CD2-CE1 4.26Å; F67-Y73 HydrophobicContact CD2-CE2 4.5Å; F67-Y73 HydrophobicContact CD2-CG 4.37Å; F67-L74 HydrophobicContact CE2-CD2 3.68Å; F67-L74 HydrophobicContact CZ-CD2 3.58Å; F67-M115 HydrophobicContact CE1-CE 4.22Å; F67-M115 HydrophobicContact CZ-CE 3.83Å; F67-F127 CarbonylContact C-O 3.57Å; F67-F127 VanDerWaalsContact CA-O 3.32Å; F67-F127 WeakPolarHBondContact CA-O 3.46Å; F67-F127 HydrophobicContact CD1-CB 3.74Å; F67-F127 HydrophobicContact CE1-CB 3.83Å; F67-C129 HydrophobicContact CD2-CB 4.42Å; F67-C129 HydrophobicContact CE2-CB 3.99Å; F67-C129 HydrophobicContact CZ-CB 4.23Å
68S92.8Very high93.6Very high17 Ų1752.4 Ų52.412%0.11925%0.253CS..  trans-68.6159170.161.50000110.8D70 S71 F127S68-D70 WeakPolarHBondContact CB-OD1 3.39Å; S68-D70 PolarHBondContact O-N 3.09Å; S68-D70 PolarHBondContact OG-OD1 2.91Å; S68-S71 PolarHBondContact N-OG 3.34Å; S68-S71 VanDerWaalsContact O-CB 3.24Å; S68-S71 WeakPolarHBondContact O-CB 3.46Å; S68-S71 PolarHBondContact O-N 3.45Å; S68-S71 PolarHBondContact O-OG 2.81Å; S68-S71 PolarHBondContact OG-OG 3.42Å; S68-F127 PolarHBondContact N-O 2.84Å; S68-F127 PolarHBondContact OG-O 3.18Å
69K91.1Very high94.1Very high207 Ų20753.2 Ų53.290%0.925%0.252SS*.THydrogen-bonded Turntrans-60.3-27.5-177.7-66.8-177.5178.7177.80113.8S71K69-S71 VanDerWaalsContact C-N 3.31Å
70D92Very high94.5Very high89 Ų8949.1 Ų49.148%0.47623%0.234SC..THydrogen-bonded Turntrans-89.18.2178.861.8-23.1000113.4S68 R128S68-D70 WeakPolarHBondContact CB-OD1 3.39Å; S68-D70 PolarHBondContact O-N 3.09Å; S68-D70 PolarHBondContact OG-OD1 2.91Å; D70-R128 IonicContact OD1-NE 3.04Å; D70-R128 IonicContact OD1-NH2 2.79Å; D70-R128 IonicContact OD2-CZ 3.48Å; D70-R128 IonicContact OD2-NE 2.86Å; D70-R128 PolarHBondContact OD2-NE 3.32Å; D70-R128 IonicContact OD2-NH2 3.37Å; D70-R128 PolarHBondContact OD2-NH2 3.23Å
71S93.9Very high94.9Very high17 Ų1749.2 Ų49.212%0.11923%0.234CC..  trans-84.1144178-650000113S68 K69 F127 R128 C129S68-S71 PolarHBondContact N-OG 3.34Å; S68-S71 VanDerWaalsContact O-CB 3.24Å; S68-S71 WeakPolarHBondContact O-CB 3.46Å; S68-S71 PolarHBondContact O-N 3.45Å; S68-S71 PolarHBondContact O-OG 2.81Å; S68-S71 PolarHBondContact OG-OG 3.42Å; K69-S71 VanDerWaalsContact C-N 3.31Å; S71-F127 PolarHBondContact OG-O 2.89Å; S71-R128 VanDerWaalsContact OG-CA 3.28Å; S71-R128 WeakPolarHBondContact OG-CA 3.49Å; S71-C129 CarbonylContact C-O 3.52Å; S71-C129 WeakPolarHBondContact CA-O 3.16Å; S71-C129 PolarHBondContact OG-N 2.87Å; S71-C129 VanDerWaalsContact OG-N 3.09Å
72C94.6Very high95.1Very high33 Ų3346 Ų4622%0.22322%0.224CC..  trans-81.6140.6158.962.70000110.5L74 C129 E131C72-L74 PolarHBondContact O-N 2.8Å; C72-C129 PolarHBondContact N-O 2.79Å; C72-C129 WeakPolarHBondContact O-CB 3.23Å; C72-C129 PolarHBondContact SG-O 2.87Å; C72-C129 VanDerWaalsContact SG-SG 3.66Å; C72-E131 PolarHBondContact SG-N 2.97Å
73Y94.4Very high95.3Very high139 Ų13946 Ų4655%0.54523%0.225SC..  trans-83106.8170.7-79.5-102.5000109.2P47 T48 F67P47-Y73 HydrophobicContact CB-CE1 4.19Å; P47-Y73 WeakPolarHBondContact O-CD1 3.48Å; T48-Y73 HydrophobicContact CG2-CE1 3.87Å; F67-Y73 HydrophobicContact CD2-CD1 4.25Å; F67-Y73 HydrophobicContact CD2-CD2 4.49Å; F67-Y73 HydrophobicContact CD2-CE1 4.26Å; F67-Y73 HydrophobicContact CD2-CE2 4.5Å; F67-Y73 HydrophobicContact CD2-CG 4.37Å
74L95.4Very high95.3Very high7 Ų745.3 Ų45.34%0.03723%0.228CC..PPolyproline II helixtrans-79.8144.1176.477.8169.3000111.3F36 F67 C72 I98 Y113 M115F36-L74 HydrophobicContact CD2-CD1 4.45Å; F36-L74 HydrophobicContact CE1-CD1 4.16Å; F36-L74 HydrophobicContact CE2-CD1 3.58Å; F36-L74 HydrophobicContact CE2-CD2 4.2Å; F36-L74 HydrophobicContact CE2-CG 3.7Å; F36-L74 HydrophobicContact CZ-CD1 3.4Å; F36-L74 VanDerWaalsContact CZ-CD1 3.4Å; F36-L74 HydrophobicContact CZ-CG 3.9Å; F67-L74 HydrophobicContact CE2-CD2 3.68Å; F67-L74 HydrophobicContact CZ-CD2 3.58Å; C72-L74 PolarHBondContact O-N 2.8Å; L74-I98 HydrophobicContact CD1-CD1 4.05Å; L74-Y113 HydrophobicContact CB-CD1 3.92Å; L74-Y113 HydrophobicContact CB-CD2 4.26Å; L74-Y113 HydrophobicContact CB-CE1 3.85Å; L74-Y113 HydrophobicContact CB-CE2 4.19Å; L74-Y113 HydrophobicContact CB-CG 4.13Å; L74-Y113 HydrophobicContact CD1-CD2 4.2Å; L74-Y113 HydrophobicContact CD1-CG 4.14Å; L74-M115 HydrophobicContact CD1-CE 4.2Å; L74-M115 HydrophobicContact CD2-CE 3.79Å
75P97.2Very high95Very high21 Ų2143.3 Ų43.314%0.13621%0.213CC..PPolyproline II helixtrans-67.4155173.629.3-34.8000110.8F36 W41 L77 T103F36-P75 WeakPolarHBondContact CZ-O 3.47Å; W41-P75 HydrophobicContact CH2-CB 4.15Å; W41-P75 HydrophobicContact CZ3-CB 3.87Å; P75-L77 HydrophobicContact CG-CD2 4.19Å; P75-L77 HydrophobicContact CG-CG 4.42Å; P75-L77 WeakPolarHBondContact O-CG 3.29Å; P75-L77 PolarHBondContact O-N 2.92Å; P75-T103 HydrophobicContact CB-CG2 4.46Å; P75-T103 HydrophobicContact CG-CG2 4.26Å
76P98Very high94.4Very high2 Ų248.3 Ų48.31%0.01323%0.234CC..PPolyproline II helixtrans-62117.9168.2-24.135.6000110.6Q38 P42 P104Q38-P76 HydrophobicContact CG-CB 4.01Å; Q38-P76 HydrophobicContact CG-CG 3.75Å; Q38-P76 WeakPolarHBondContact O-CB 3.2Å; P42-P76 HydrophobicContact CG-CG 3.81Å; P76-P104 HydrophobicContact CB-CG 4.3Å; P76-P104 HydrophobicContact CG-CG 4.32Å; P76-P104 WeakPolarHBondContact O-CD 3.43Å
77L98.5Very high93.1Very high0 Ų046.8 Ų46.80%023%0.234CC..  trans-106.2128.8-177-65.2160.8000110.5F36 P75 P80 I98 G100 K102 T103 Y113F36-L77 HydrophobicContact CE1-CB 3.88Å; F36-L77 HydrophobicContact CE1-CD1 4.26Å; F36-L77 HydrophobicContact CE1-CG 4.43Å; F36-L77 HydrophobicContact CZ-CB 3.9Å; F36-L77 HydrophobicContact CZ-CD1 4.02Å; F36-L77 HydrophobicContact CZ-CG 4.07Å; P75-L77 HydrophobicContact CG-CD2 4.19Å; P75-L77 HydrophobicContact CG-CG 4.42Å; P75-L77 WeakPolarHBondContact O-CG 3.29Å; P75-L77 PolarHBondContact O-N 2.92Å; L77-P80 HydrophobicContact CB-CB 4.13Å; L77-P80 HydrophobicContact CB-CG 4.21Å; L77-I98 HydrophobicContact CD1-CG2 4.1Å; L77-G100 VanDerWaalsContact CD1-O 3.3Å; L77-G100 WeakPolarHBondContact CD1-O 3.49Å; L77-G100 WeakPolarHBondContact CD2-O 3.27Å; L77-K102 WeakPolarHBondContact CA-O 3.35Å; L77-T103 HydrophobicContact CD2-CG2 4.21Å; L77-Y113 HydrophobicContact CD1-CD2 4.24Å; L77-Y113 HydrophobicContact CD1-CE2 4.04Å
78R98.4Very high91.4Very high46 Ų4651.3 Ų51.317%0.17426%0.259CS..BIsolated β-bridgetrans-97.5134.2171.6-64.5169.8-69.6158.1-1.8110.7Q21 G23 P80 G101 K102 T103 N106Q21-R78 HydrophobicContact CG-CG 4.45Å; Q21-R78 VanDerWaalsContact NE2-CG 3.29Å; G23-R78 CarbonylContact O-C 3.04Å; G23-R78 WeakPolarHBondContact O-CA 3.49Å; R78-P80 VanDerWaalsContact C-N 3.35Å; R78-G101 CarbonylContact O-C 3.47Å; R78-G101 WeakPolarHBondContact O-CA 3.41Å; R78-K102 HydrophobicContact CB-CB 4.31Å; R78-K102 PolarHBondContact N-O 2.78Å; R78-K102 PolarHBondContact O-N 2.75Å; R78-T103 PolarHBondContact NH2-O 3.43Å; R78-N106 PolarHBondContact NH2-OD1 3.11Å
79Y98.4Very high89.3Confident83 Ų8357.8 Ų57.833%0.32529%0.291SS..SBendtrans52.643-176.4-47.9-79.5000113.9P22 G23 Y143 G144 F211P22-Y79 WeakPolarHBondContact CB-OH 3.34Å; G23-Y79 VanDerWaalsContact CA-CD1 3.43Å; G23-Y79 PolarHBondContact O-N 3.2Å; Y79-Y143 HydrophobicContact CD2-CD2 4.33Å; Y79-Y143 HydrophobicContact CG-CD2 4.41Å; Y79-G144 PolarHBondContact O-N 2.89Å; Y79-F211 AromaticContact CD1-CE1 3.81Å; Y79-F211 HydrophobicContact CD1-CE1 3.81Å; Y79-F211 HydrophobicContact CE1-CE1 4.33Å; Y79-F211 HydrophobicContact CG-CE1 4.12Å
80P98.6Very high87Confident13 Ų1355.7 Ų55.78%0.08429%0.29CS..  trans-69.1161.8169.534.8-35.2000109.8S25 F36 L77 R78 T82 I98 G100S25-P80 WeakPolarHBondContact OG-CG 3.32Å; F36-P80 HydrophobicContact CE1-CG 4.5Å; L77-P80 HydrophobicContact CB-CB 4.13Å; L77-P80 HydrophobicContact CB-CG 4.21Å; R78-P80 VanDerWaalsContact C-N 3.35Å; P80-T82 HydrophobicContact CG-CG2 4.04Å; P80-I98 HydrophobicContact CB-CG2 3.82Å; P80-I98 HydrophobicContact CG-CG2 4.22Å; P80-G100 WeakPolarHBondContact CB-O 3.28Å
81A98.6Very high85.2Confident2 Ų253.3 Ų53.32%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-84.9132.7163.300000109I98 H99 H145 I147A81-I98 WeakPolarHBondContact O-CA 3.28Å; A81-H99 PolarHBondContact N-O 2.75Å; A81-H99 PolarHBondContact O-N 3.17Å; A81-H145 WeakPolarHBondContact CB-CD2 3.31Å; A81-H145 WeakPolarHBondContact CB-NE2 3.32Å; A81-H145 WeakPolarHBondContact CB-O 3.44Å; A81-I147 HydrophobicContact CB-CB 3.99Å; A81-I147 HydrophobicContact CB-CG2 3.6Å
82T97.7Very high83.1Confident47 Ų4761.2 Ų61.229%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-129.5142.9-179.861.90000110.9P80 I97 I98P80-T82 HydrophobicContact CG-CG2 4.04Å; T82-I97 VanDerWaalsContact CA-O 3.24Å; T82-I97 WeakPolarHBondContact CA-O 3.35Å; T82-I98 HydrophobicContact CG2-CG1 4.26Å; T82-I98 HydrophobicContact CG2-CG2 4.36Å
83C95.6Very high81.8Confident9 Ų966.8 Ų66.86%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-150.4159.9169.567.70000112.2Y96 I97 I147C83-Y96 WeakPolarHBondContact O-CA 3.4Å; C83-I97 PolarHBondContact N-O 3.34Å; C83-I97 VanDerWaalsContact N-O 3.08Å; C83-I97 PolarHBondContact O-N 2.96Å; C83-I147 HydrophobicContact CB-CG2 4.29Å; C83-I147 VanDerWaalsContact CB-O 3.24Å; C83-I147 WeakPolarHBondContact CB-O 3.47Å
84T92.7Very high81.2Confident74 Ų7463.3 Ų63.345%0.45432%0.324SS..EExtended strand (participates in β ladder)trans-80.9136.2170.448.60000109.9Q95 Y96T84-Q95 WeakPolarHBondContact CA-O 3.44Å; T84-Y96 HydrophobicContact CG2-CD1 4.43Å; T84-Y96 HydrophobicContact CG2-CD2 4.41Å; T84-Y96 HydrophobicContact CG2-CE1 3.78Å; T84-Y96 HydrophobicContact CG2-CE2 3.76Å; T84-Y96 VanDerWaalsContact CG2-CZ 3.41Å; T84-Y96 WeakPolarHBondContact CG2-OH 3.29Å
85F86.8Confident81Confident20 Ų2065.2 Ų65.29%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-123.9133175.4175.6-120.8000109.2Q95 I97 V149 F192F85-Q95 HydrophobicContact CB-CB 4.45Å; F85-Q95 HydrophobicContact CD1-CB 4.3Å; F85-Q95 PolarHBondContact N-O 2.69Å; F85-Q95 PolarHBondContact O-N 3.14Å; F85-I97 HydrophobicContact CB-CD1 4.04Å; F85-I97 HydrophobicContact CB-CG1 3.73Å; F85-I97 HydrophobicContact CD1-CD1 4.24Å; F85-I97 HydrophobicContact CG-CD1 4.28Å; F85-I97 HydrophobicContact CG-CG1 4.36Å; F85-V149 HydrophobicContact CB-CG2 4.23Å; F85-V149 HydrophobicContact CD2-CG1 3.97Å; F85-V149 HydrophobicContact CD2-CG2 3.97Å; F85-V149 HydrophobicContact CE2-CG1 4.36Å; F85-F192 HydrophobicContact CD2-CD2 4.12Å; F85-F192 HydrophobicContact CD2-CE2 4.39Å; F85-F192 AromaticContact CE2-CD2 3.95Å; F85-F192 HydrophobicContact CE2-CD2 3.95Å; F85-F192 HydrophobicContact CZ-CD2 4.26Å
86K80.8Confident81Confident110 Ų11065.4 Ų65.448%0.47833%0.331SS..EExtended strand (participates in β ladder)trans-106.5112.6168-64.8-174.8173.7-169.80105.9H94 Y151K86-H94 VanDerWaalsContact CE-CE1 3.42Å; K86-H94 WeakPolarHBondContact CE-CE1 3.38Å; K86-Y151 PolarHBondContact N-OH 3.44Å
87G64.1Low80.9Confident28 Ų2865.3 Ų65.329%0.28933%0.33SS..SBendtrans-60.2-71.4-17600000111.4
88D58.9Low80.9Confident114 Ų11465.3 Ų65.361%0.6133%0.33SS*.SBendtrans-103.1146.8174-74.4-43.5000111.3D90 S91D88-D90 PolarHBondContact O-N 2.89Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-S91 PolarHBondContact N-OG 2.94Å; D88-S91 PolarHBondContact O-N 3.28Å; D88-S91 PolarHBondContact O-OG 2.96Å; D88-S91 VanDerWaalsContact O-OG 3.07Å
89L50Low80.9Confident153 Ų15363.1 Ų63.180%0.80132%0.322SS*.THydrogen-bonded Turntrans-54.3-27.8169.8-80.2149.9000112.4
90D43.3Very low80.9Confident163 Ų16359.1 Ų59.187%0.87231%0.307SS*.THydrogen-bonded Turntrans-99.5-5.6179-71.1-22.4000113.9D88D88-D90 PolarHBondContact O-N 2.89Å; D88-D90 VanDerWaalsContact O-N 3.15Å
91S53.1Low80.9Confident38 Ų3858.5 Ų58.527%0.26630%0.303SS..  trans-91.1117.9176.472.60000110.7D88 K93D88-S91 PolarHBondContact N-OG 2.94Å; D88-S91 PolarHBondContact O-N 3.28Å; D88-S91 PolarHBondContact O-OG 2.96Å; D88-S91 VanDerWaalsContact O-OG 3.07Å; S91-K93 PolarHBondContact O-N 2.82Å
92E50.8Low80.9Confident183 Ų18359.8 Ų59.886%0.85531%0.308SS*.  trans-68.51.3170.8-65-171.5157.500113.1H94E92-H94 PolarHBondContact O-N 2.8Å
93K66.5Low80.9Confident151 Ų15158.1 Ų58.166%0.65730%0.297SS*.  trans-84.5100.8-172.8-65.2-174.9-177.3177.70110.7S91S91-K93 PolarHBondContact O-N 2.82Å
94H81.7Confident80.9Confident65 Ų6559 Ų5930%0.30130%0.303SS..EExtended strand (participates in β ladder)trans-65.1129.3169-72.4-88.8000111.1F29 D30 K86 E92F29-H94 WeakPolarHBondContact CE1-O 3.32Å; D30-H94 IonicContact OD1-CD2 3.62Å; K86-H94 VanDerWaalsContact CE-CE1 3.42Å; K86-H94 WeakPolarHBondContact CE-CE1 3.38Å; E92-H94 PolarHBondContact O-N 2.8Å
95Q92.3Very high81Confident47 Ų4760 Ų6022%0.2231%0.305CS..EExtended strand (participates in β ladder)trans-120.2158.2172.8-56-174.9-13.400109.8T84 F85 V114 M115T84-Q95 WeakPolarHBondContact CA-O 3.44Å; F85-Q95 HydrophobicContact CB-CB 4.45Å; F85-Q95 HydrophobicContact CD1-CB 4.3Å; F85-Q95 PolarHBondContact N-O 2.69Å; F85-Q95 PolarHBondContact O-N 3.14Å; Q95-V114 HydrophobicContact CB-CG1 4.2Å; Q95-M115 CarbonylContact C-O 3.57Å; Q95-M115 WeakPolarHBondContact CA-O 3.21Å
96Y95.9Very high81.4Confident25 Ų2562.4 Ų62.410%0.09832%0.319CS..EExtended strand (participates in β ladder)trans-116.7134.3172.3-89.4-100.8000110.1M27 N28 F29 C83 T84 V114 M115M27-Y96 HydrophobicContact CB-CD1 4.02Å; M27-Y96 HydrophobicContact CB-CD2 4.1Å; M27-Y96 HydrophobicContact CB-CE1 3.92Å; M27-Y96 HydrophobicContact CB-CE2 4Å; M27-Y96 HydrophobicContact CB-CG 4.09Å; M27-Y96 HydrophobicContact CG-CD1 3.66Å; M27-Y96 HydrophobicContact CG-CD2 4.47Å; M27-Y96 HydrophobicContact CG-CE1 3.92Å; M27-Y96 HydrophobicContact CG-CG 3.95Å; M27-Y96 HydrophobicContact SD-CD1 4.31Å; M27-Y96 HydrophobicContact SD-CG 4.16Å; N28-Y96 PolarHBondContact N-OH 2.79Å; N28-Y96 WeakPolarHBondContact O-CE2 3.35Å; N28-Y96 PolarHBondContact O-OH 3.27Å; F29-Y96 HydrophobicContact CD1-CD2 4.32Å; F29-Y96 HydrophobicContact CD2-CD2 4.22Å; F29-Y96 HydrophobicContact CD2-CE2 4.26Å; F29-Y96 AromaticContact CE1-CD2 3.71Å; F29-Y96 HydrophobicContact CE1-CD2 3.71Å; F29-Y96 HydrophobicContact CE1-CE2 4.36Å; F29-Y96 AromaticContact CE2-CD2 3.6Å; F29-Y96 HydrophobicContact CE2-CD2 3.6Å; F29-Y96 HydrophobicContact CE2-CE2 4.06Å; F29-Y96 HydrophobicContact CE2-CG 4.32Å; F29-Y96 AromaticContact CZ-CD2 3.32Å; F29-Y96 HydrophobicContact CZ-CD2 3.32Å; F29-Y96 HydrophobicContact CZ-CE2 4.13Å; F29-Y96 HydrophobicContact CZ-CG 4.05Å; C83-Y96 WeakPolarHBondContact O-CA 3.4Å; T84-Y96 HydrophobicContact CG2-CD1 4.43Å; T84-Y96 HydrophobicContact CG2-CD2 4.41Å; T84-Y96 HydrophobicContact CG2-CE1 3.78Å; T84-Y96 HydrophobicContact CG2-CE2 3.76Å; T84-Y96 VanDerWaalsContact CG2-CZ 3.41Å; T84-Y96 WeakPolarHBondContact CG2-OH 3.29Å; Y96-V114 CarbonylContact O-C 3.54Å; Y96-V114 WeakPolarHBondContact O-CA 3.49Å; Y96-M115 PolarHBondContact N-O 3.31Å; Y96-M115 PolarHBondContact O-N 2.95Å
97I97.2Very high82.1Confident0 Ų062.9 Ų62.90%032%0.323CS..EExtended strand (participates in β ladder)trans-97.3133.2169.8-53.5-61.1000107.7T82 C83 F85 I112 Y113 V114 I147 F192T82-I97 VanDerWaalsContact CA-O 3.24Å; T82-I97 WeakPolarHBondContact CA-O 3.35Å; C83-I97 PolarHBondContact N-O 3.34Å; C83-I97 VanDerWaalsContact N-O 3.08Å; C83-I97 PolarHBondContact O-N 2.96Å; F85-I97 HydrophobicContact CB-CD1 4.04Å; F85-I97 HydrophobicContact CB-CG1 3.73Å; F85-I97 HydrophobicContact CD1-CD1 4.24Å; F85-I97 HydrophobicContact CG-CD1 4.28Å; F85-I97 HydrophobicContact CG-CG1 4.36Å; I97-I112 HydrophobicContact CG2-CD1 3.59Å; I97-I112 HydrophobicContact CG2-CG1 3.71Å; I97-Y113 WeakPolarHBondContact CA-O 3.32Å; I97-V114 HydrophobicContact CD1-CB 4.31Å; I97-V114 HydrophobicContact CD1-CG1 4.06Å; I97-V114 HydrophobicContact CD1-CG2 3.71Å; I97-I147 HydrophobicContact CG2-CD1 3.98Å; I97-F192 HydrophobicContact CD1-CD1 4.44Å; I97-F192 HydrophobicContact CD1-CD2 4.48Å; I97-F192 HydrophobicContact CD1-CE1 4.47Å; I97-F192 HydrophobicContact CD1-CE2 4.48Å; I97-F192 HydrophobicContact CD1-CG 4.45Å; I97-F192 HydrophobicContact CD1-CZ 4.47Å; I97-F192 HydrophobicContact CG1-CE1 4.48Å; I97-F192 HydrophobicContact CG1-CE2 4.22Å; I97-F192 HydrophobicContact CG1-CZ 4.1Å; I97-F192 HydrophobicContact CG2-CE1 4.03Å; I97-F192 HydrophobicContact CG2-CZ 4.12Å
98I98.4Very high83.7Confident0 Ų062.8 Ų62.80%032%0.316CS..EExtended strand (participates in β ladder)trans-126.4120.1176-52.6172.9000107M27 F36 L74 L77 P80 A81 T82 I112 Y113 M115M27-I98 HydrophobicContact SD-CD1 3.98Å; F36-I98 HydrophobicContact CD1-CD1 4.14Å; F36-I98 HydrophobicContact CE1-CD1 4.11Å; F36-I98 HydrophobicContact CE1-CG2 4.01Å; L74-I98 HydrophobicContact CD1-CD1 4.05Å; L77-I98 HydrophobicContact CD1-CG2 4.1Å; P80-I98 HydrophobicContact CB-CG2 3.82Å; P80-I98 HydrophobicContact CG-CG2 4.22Å; A81-I98 WeakPolarHBondContact O-CA 3.28Å; T82-I98 HydrophobicContact CG2-CG1 4.26Å; T82-I98 HydrophobicContact CG2-CG2 4.36Å; I98-I112 CarbonylContact O-C 3.59Å; I98-I112 WeakPolarHBondContact O-CA 3.49Å; I98-Y113 PolarHBondContact N-O 2.8Å; I98-Y113 PolarHBondContact O-N 2.84Å; I98-M115 HydrophobicContact CD1-CE 4.48Å
99H98.4Very high85.5Confident0 Ų057.9 Ų57.90%029%0.29CS..EExtended strand (participates in β ladder)trans-125.2134177.9176.9-66.6000111.1A81 I112 H145 I147A81-H99 PolarHBondContact N-O 2.75Å; A81-H99 PolarHBondContact O-N 3.17Å; H99-I112 HydrophobicContact CB-CD1 4.49Å; H99-I112 HydrophobicContact CB-CG1 4.28Å; H99-H145 AromaticContact CE1-NE2 3.79Å; H99-H145 AromaticContact CG-NE2 3.71Å; H99-H145 AromaticContact ND1-CD2 4Å; H99-H145 AromaticContact ND1-CE1 3.52Å; H99-H145 AromaticContact ND1-NE2 2.93Å; H99-H145 PolarHBondContact ND1-NE2 2.93Å; H99-H145 PolarHBondContact O-CE1 3.26Å; H99-H145 PolarHBondContact O-NE2 2.8Å; H99-I147 HydrophobicContact CB-CD1 4.28Å
100G98.2Very high87.6Confident0 Ų054.2 Ų54.20%027%0.272CS..  trans62-146172.700000114.5L77 P80 S109 K111L77-G100 VanDerWaalsContact CD1-O 3.3Å; L77-G100 WeakPolarHBondContact CD1-O 3.49Å; L77-G100 WeakPolarHBondContact CD2-O 3.27Å; P80-G100 WeakPolarHBondContact CB-O 3.28Å; G100-S109 WeakPolarHBondContact CA-O 3.39Å; G100-K111 PolarHBondContact N-O 3.28Å; G100-K111 VanDerWaalsContact N-O 3.14Å
101G98.4Very high90.1Very high0 Ų049.7 Ų49.70%024%0.244CC..  trans93.9173.4-172.300000113.1R78 S109 R142R78-G101 CarbonylContact O-C 3.47Å; R78-G101 WeakPolarHBondContact O-CA 3.41Å; G101-S109 PolarHBondContact O-N 3.48Å; G101-R142 PolarHBondContact N-O 2.89Å
102K98.3Very high92.2Very high29 Ų2947.9 Ų47.913%0.12623%0.232CC..BIsolated β-bridgetrans-95.4126.9-178.6-55.6-163.2170.9-176.70111.7L77 R78 E107 L108 Y143L77-K102 WeakPolarHBondContact CA-O 3.35Å; R78-K102 HydrophobicContact CB-CB 4.31Å; R78-K102 PolarHBondContact N-O 2.78Å; R78-K102 PolarHBondContact O-N 2.75Å; K102-E107 CarbonylContact C-O 3.55Å; K102-E107 VanDerWaalsContact CA-O 3.31Å; K102-E107 WeakPolarHBondContact CA-O 3.31Å; K102-L108 HydrophobicContact CB-CD2 4.5Å; K102-L108 HydrophobicContact CD-CD2 4.36Å; K102-L108 HydrophobicContact CG-CD2 3.67Å; K102-Y143 HydrophobicContact CD-CD1 4.45Å; K102-Y143 HydrophobicContact CD-CD2 4.43Å; K102-Y143 HydrophobicContact CD-CE2 4.47Å; K102-Y143 HydrophobicContact CD-CG 4.4Å; K102-Y143 HydrophobicContact CG-CD1 4.18Å; K102-Y143 HydrophobicContact CG-CD2 4.29Å; K102-Y143 HydrophobicContact CG-CG 3.94Å; K102-Y143 PolarHBondContact NZ-OH 2.82Å; K102-Y143 VanDerWaalsContact NZ-OH 3.14Å
103T97.9Very high94.4Very high11 Ų1139.8 Ų39.87%0.06719%0.193CC..  trans-68.7170.1170.872.40000111P75 L77 R78 N105 N106 E107P75-T103 HydrophobicContact CB-CG2 4.46Å; P75-T103 HydrophobicContact CG-CG2 4.26Å; L77-T103 HydrophobicContact CD2-CG2 4.21Å; R78-T103 PolarHBondContact NH2-O 3.43Å; T103-N105 PolarHBondContact O-N 2.91Å; T103-N105 PolarHBondContact OG1-N 3.16Å; T103-N106 PolarHBondContact O-N 3.19Å; T103-E107 HydrophobicContact CG2-CB 4.29Å; T103-E107 PolarHBondContact N-O 3.19Å; T103-E107 WeakPolarHBondContact OG1-CB 3.24Å; T103-E107 PolarHBondContact OG1-N 3Å; T103-E107 VanDerWaalsContact OG1-N 3.1Å; T103-E107 PolarHBondContact OG1-O 3.45Å
104P95.6Very high95.8Very high29 Ų2933 Ų3319%0.18817%0.165CC..THydrogen-bonded Turntrans-58.8-31.3174-25.437000112.9W41 P76 N106W41-P104 HydrophobicContact CD2-CB 4.21Å; W41-P104 HydrophobicContact CD2-CG 3.86Å; W41-P104 HydrophobicContact CE3-CG 4.29Å; W41-P104 HydrophobicContact CG-CB 4.19Å; W41-P104 HydrophobicContact CG-CG 4.12Å; W41-P104 HydrophobicContact CZ2-CB 4.46Å; W41-P104 HydrophobicContact CZ2-CG 4.31Å; P76-P104 HydrophobicContact CB-CG 4.3Å; P76-P104 HydrophobicContact CG-CG 4.32Å; P76-P104 WeakPolarHBondContact O-CD 3.43Å; P104-N106 PolarHBondContact O-N 3.34Å
105N95.4Very high96.4Very high93 Ų9330 Ų3050%0.49715%0.151SC..THydrogen-bonded Turntrans-79.35.9177-64.4-3.1000113.8W41 T103 E107W41-N105 PolarHBondContact NE1-OD1 2.78Å; T103-N105 PolarHBondContact O-N 2.91Å; T103-N105 PolarHBondContact OG1-N 3.16Å; N105-E107 HydrophobicContact CB-CG 4.47Å; N105-E107 PolarHBondContact O-N 2.85Å
106N93.7Very high96.5Very high71 Ų7128.3 Ų28.338%0.3814%0.144SC..SBendtrans61.625.5-172.7-55-65.2000114R78 T103 P104 Y166R78-N106 PolarHBondContact NH2-OD1 3.11Å; T103-N106 PolarHBondContact O-N 3.19Å; P104-N106 PolarHBondContact O-N 3.34Å; N106-Y166 WeakPolarHBondContact O-CE2 3.44Å; N106-Y166 PolarHBondContact O-OH 2.66Å
107E95.6Very high96.3Very high120 Ų12028.5 Ų28.556%0.56115%0.147SC*.PPolyproline II helixtrans-81.4155.2165.6-64.5164.8-169.700109.1K102 T103 N105K102-E107 CarbonylContact C-O 3.55Å; K102-E107 VanDerWaalsContact CA-O 3.31Å; K102-E107 WeakPolarHBondContact CA-O 3.31Å; T103-E107 HydrophobicContact CG2-CB 4.29Å; T103-E107 PolarHBondContact N-O 3.19Å; T103-E107 WeakPolarHBondContact OG1-CB 3.24Å; T103-E107 PolarHBondContact OG1-N 3Å; T103-E107 VanDerWaalsContact OG1-N 3.1Å; T103-E107 PolarHBondContact OG1-O 3.45Å; N105-E107 HydrophobicContact CB-CG 4.47Å; N105-E107 PolarHBondContact O-N 2.85Å
108L97.4Very high95.8Very high27 Ų2731.5 Ų31.514%0.14117%0.165CC..BIsolated β-bridgetrans-97.3128.3173.3-57.7-177.4000108.2K102 A141 Y143 Y166K102-L108 HydrophobicContact CB-CD2 4.5Å; K102-L108 HydrophobicContact CD-CD2 4.36Å; K102-L108 HydrophobicContact CG-CD2 3.67Å; L108-A141 HydrophobicContact CB-CB 3.58Å; L108-A141 WeakPolarHBondContact CD1-O 3.49Å; L108-A141 WeakPolarHBondContact O-CB 3.35Å; L108-Y143 HydrophobicContact CD1-CD1 4.35Å; L108-Y143 HydrophobicContact CD2-CD1 3.61Å; L108-Y143 HydrophobicContact CD2-CE1 4.3Å; L108-Y143 HydrophobicContact CD2-CG 4.35Å; L108-Y166 HydrophobicContact CD1-CD2 3.65Å; L108-Y166 HydrophobicContact CD1-CE2 4.02Å; L108-Y166 HydrophobicContact CD1-CG 4.31Å; L108-Y166 HydrophobicContact CD2-CD2 4.42Å; L108-Y166 HydrophobicContact CD2-CE2 3.94Å; L108-Y166 HydrophobicContact CG-CD2 3.64Å; L108-Y166 HydrophobicContact CG-CE2 3.58Å
109S96.7Very high95.1Very high10 Ų1033.5 Ų33.57%0.0718%0.179CC..PPolyproline II helixtrans-78139.3169.1-175.40000109.5G100 G101 K111G100-S109 WeakPolarHBondContact CA-O 3.39Å; G101-S109 PolarHBondContact O-N 3.48Å; S109-K111 WeakPolarHBondContact OG-CB 2.86Å; S109-K111 PolarHBondContact OG-N 2.72Å; S109-K111 VanDerWaalsContact OG-N 3.14Å
110D95.1Very high94.2Very high77 Ų7737.8 Ų37.841%0.41220%0.197SC..  trans-102-0.716457.7-6.4000111.8A141D110-A141 HydrophobicContact CB-CB 3.92Å
111K95.9Very high93.1Very high67 Ų6742.9 Ų42.929%0.29122%0.224SC..  trans-78.6155-175.7-57.5-55.2-167.4140.70111.6G100 S109 Y113 E131 D133G100-K111 PolarHBondContact N-O 3.28Å; G100-K111 VanDerWaalsContact N-O 3.14Å; S109-K111 WeakPolarHBondContact OG-CB 2.86Å; S109-K111 PolarHBondContact OG-N 2.72Å; S109-K111 VanDerWaalsContact OG-N 3.14Å; K111-Y113 HydrophobicContact CB-CE1 4.47Å; K111-Y113 HydrophobicContact CB-CE2 3.79Å; K111-E131 WeakPolarHBondContact CD-OE1 3.41Å; K111-E131 WeakPolarHBondContact CE-OE1 3.44Å; K111-E131 IonicContact NZ-OE1 2.89Å; K111-E131 PolarHBondContact NZ-OE1 3.02Å; K111-D133 IonicContact NZ-OD1 3.79Å; K111-D133 PolarHBondContact NZ-OD1 3.15Å
112I96.8Very high91.4Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-120.8130.1173.2-172.7167.8000109.5I97 I98 H99 E131 K132 L134 I147 F192I97-I112 HydrophobicContact CG2-CD1 3.59Å; I97-I112 HydrophobicContact CG2-CG1 3.71Å; I98-I112 CarbonylContact O-C 3.59Å; I98-I112 WeakPolarHBondContact O-CA 3.49Å; H99-I112 HydrophobicContact CB-CD1 4.49Å; H99-I112 HydrophobicContact CB-CG1 4.28Å; I112-E131 WeakPolarHBondContact O-CA 3.24Å; I112-K132 HydrophobicContact CG2-CB 3.8Å; I112-K132 WeakPolarHBondContact CG2-O 3.45Å; I112-K132 PolarHBondContact O-N 3.23Å; I112-L134 HydrophobicContact CB-CD1 4.48Å; I112-L134 HydrophobicContact CG2-CD1 3.97Å; I112-L134 HydrophobicContact CG2-CD2 3.9Å; I112-L134 HydrophobicContact CG2-CG 3.72Å; I112-I147 HydrophobicContact CD1-CD1 4.2Å; I112-F192 HydrophobicContact CD1-CD1 3.95Å; I112-F192 HydrophobicContact CD1-CE1 3.45Å; I112-F192 VanDerWaalsContact CD1-CE1 3.45Å
113Y96.8Very high89.9Confident13 Ų1358.5 Ų58.55%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-117.2137.7-178.2-57.3-79.3000109.3L74 L77 I97 I98 K111 T130 E131L74-Y113 HydrophobicContact CB-CD1 3.92Å; L74-Y113 HydrophobicContact CB-CD2 4.26Å; L74-Y113 HydrophobicContact CB-CE1 3.85Å; L74-Y113 HydrophobicContact CB-CE2 4.19Å; L74-Y113 HydrophobicContact CB-CG 4.13Å; L74-Y113 HydrophobicContact CD1-CD2 4.2Å; L74-Y113 HydrophobicContact CD1-CG 4.14Å; L77-Y113 HydrophobicContact CD1-CD2 4.24Å; L77-Y113 HydrophobicContact CD1-CE2 4.04Å; I97-Y113 WeakPolarHBondContact CA-O 3.32Å; I98-Y113 PolarHBondContact N-O 2.8Å; I98-Y113 PolarHBondContact O-N 2.84Å; K111-Y113 HydrophobicContact CB-CE1 4.47Å; K111-Y113 HydrophobicContact CB-CE2 3.79Å; Y113-T130 WeakPolarHBondContact CA-O 3.24Å; Y113-E131 HydrophobicContact CD1-CB 4.09Å; Y113-E131 HydrophobicContact CD1-CG 4.41Å; Y113-E131 HydrophobicContact CE1-CB 4.01Å; Y113-E131 HydrophobicContact CE1-CG 4.05Å
114V95.8Very high88.9Confident10 Ų1065.1 Ų65.16%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-109.3115.1172.4-173.20000108Q95 Y96 I97 C129 T130 K132Q95-V114 HydrophobicContact CB-CG1 4.2Å; Y96-V114 CarbonylContact O-C 3.54Å; Y96-V114 WeakPolarHBondContact O-CA 3.49Å; I97-V114 HydrophobicContact CD1-CB 4.31Å; I97-V114 HydrophobicContact CD1-CG1 4.06Å; I97-V114 HydrophobicContact CD1-CG2 3.71Å; V114-C129 WeakPolarHBondContact O-CA 3.45Å; V114-T130 PolarHBondContact N-O 2.96Å; V114-T130 PolarHBondContact O-N 3.45Å; V114-K132 HydrophobicContact CG2-CG 3.82Å
115M95.6Very high88.5Confident0 Ų064 Ų640%032%0.317CS..EExtended strand (participates in β ladder)trans-103.1127.7178.6-168.7155.1-70.600110.2M27 F29 V50 F67 L74 Q95 Y96 I98 F127 R128 C129M27-M115 HydrophobicContact CE-SD 3.54Å; M27-M115 VanDerWaalsContact CE-SD 3.54Å; M27-M115 HydrophobicContact SD-SD 3.92Å; F29-M115 HydrophobicContact CZ-CB 4.48Å; F29-M115 HydrophobicContact CZ-CG 4.21Å; V50-M115 HydrophobicContact CG2-CE 4.25Å; V50-M115 HydrophobicContact CG2-SD 4.48Å; F67-M115 HydrophobicContact CE1-CE 4.22Å; F67-M115 HydrophobicContact CZ-CE 3.83Å; L74-M115 HydrophobicContact CD1-CE 4.2Å; L74-M115 HydrophobicContact CD2-CE 3.79Å; Q95-M115 CarbonylContact C-O 3.57Å; Q95-M115 WeakPolarHBondContact CA-O 3.21Å; Y96-M115 PolarHBondContact N-O 3.31Å; Y96-M115 PolarHBondContact O-N 2.95Å; I98-M115 HydrophobicContact CD1-CE 4.48Å; M115-F127 HydrophobicContact CG-CD1 3.72Å; M115-F127 HydrophobicContact CG-CE1 4.34Å; M115-F127 HydrophobicContact CG-CG 4.36Å; M115-F127 HydrophobicContact SD-CD1 4.18Å; M115-F127 HydrophobicContact SD-CG 4.46Å; M115-R128 WeakPolarHBondContact CA-O 3.44Å; M115-C129 HydrophobicContact CE-CB 4.02Å
116S93.8Very high88.3Confident12 Ų1260.9 Ų60.98%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-140.3155.8-178.761.80000110.9F127 R128S116-F127 CarbonylContact O-C 3.51Å; S116-F127 WeakPolarHBondContact O-CA 3.42Å; S116-F127 WeakPolarHBondContact O-CD1 3.28Å; S116-R128 PolarHBondContact N-O 2.85Å; S116-R128 PolarHBondContact O-N 2.89Å; S116-R128 PolarHBondContact OG-O 3.15Å
117I90.9Very high88.4Confident29 Ų2957.5 Ų57.515%0.14928%0.283CS..EExtended strand (participates in β ladder)trans-86.9128.1171.8-65.8-175.8000109.3F29 K120 V125 F127F29-I117 HydrophobicContact CB-CD1 3.35Å; F29-I117 HydrophobicContact CB-CG1 4.2Å; F29-I117 HydrophobicContact CD1-CD1 3.92Å; F29-I117 HydrophobicContact CD1-CG1 3.83Å; F29-I117 HydrophobicContact CE1-CG1 4.3Å; F29-I117 HydrophobicContact CG-CD1 3.73Å; F29-I117 HydrophobicContact CG-CG1 4.02Å; I117-K120 HydrophobicContact CG2-CG 3.82Å; I117-V125 HydrophobicContact CB-CG1 4.46Å; I117-V125 HydrophobicContact CD1-CG1 3.69Å; I117-V125 HydrophobicContact CG1-CG1 3.78Å; I117-V125 HydrophobicContact CG2-CG1 3.97Å; I117-F127 HydrophobicContact CD1-CE1 4.3Å; I117-F127 HydrophobicContact CG1-CD1 4.07Å; I117-F127 HydrophobicContact CG1-CE1 3.64Å; I117-F127 HydrophobicContact CG1-CZ 4.32Å
118V87.4Confident88.3Confident64 Ų6456 Ų5639%0.38827%0.272SS..EExtended strand (participates in β ladder)trans-92.8-45.5173.8-177.10000110.9T126 R128V118-T126 PolarHBondContact N-O 3.2Å; V118-R128 HydrophobicContact CG2-CB 3.28Å; V118-R128 HydrophobicContact CG2-CG 4.47Å
119C82.6Confident88.2Confident42 Ų4254.7 Ų54.728%0.28427%0.266SS..EExtended strand (participates in β ladder)trans-149.3144.5-171.3-179.10000110.9N121 T126C119-N121 PolarHBondContact SG-OD1 2.8Å; C119-T126 PolarHBondContact O-N 3.12Å
120K81.4Confident88.1Confident89 Ų8956.4 Ų56.439%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-125.595.5172.6-63-176.7-176.7173.40108.5D30 I117 V125D30-K120 IonicContact OD2-NZ 2.6Å; D30-K120 PolarHBondContact OD2-NZ 2.89Å; I117-K120 HydrophobicContact CG2-CG 3.82Å; K120-V125 HydrophobicContact CG-CG2 4.28Å
121N74.2Confident88.2Confident108 Ų10856.3 Ų56.358%0.57827%0.273SS*.EExtended strand (participates in β ladder)trans-112.8127.5176.7-74.8-1.7000109.5C119 K123 R124C119-N121 PolarHBondContact SG-OD1 2.8Å; N121-K123 VanDerWaalsContact C-N 3.32Å; N121-K123 PolarHBondContact O-N 2.72Å; N121-K123 VanDerWaalsContact O-N 3.11Å; N121-R124 PolarHBondContact N-O 2.9Å; N121-R124 WeakPolarHBondContact O-CA 3.44Å; N121-R124 WeakPolarHBondContact O-CB 3.48Å; N121-R124 PolarHBondContact O-N 3.05Å
122N61.9Low88Confident171 Ų17156.8 Ų56.891%0.91428%0.275SS*.THydrogen-bonded Turntrans43.949.9172-66.6-14.1000114.5R124N122-R124 PolarHBondContact O-N 2.8Å
123K66.4Low87.7Confident186 Ų18662 Ų6281%0.80930%0.303SS*.THydrogen-bonded Turntrans65.65.1-177.9-55.8174.2178.7166.20116N121N121-K123 VanDerWaalsContact C-N 3.32Å; N121-K123 PolarHBondContact O-N 2.72Å; N121-K123 VanDerWaalsContact O-N 3.11Å
124R77.7Confident87.6Confident150 Ų15062.7 Ų62.757%0.56631%0.307SS*.EExtended strand (participates in β ladder)trans-99.9119.3172.3-156.7174.8-173.8177.81.2109N121 N122N121-R124 PolarHBondContact N-O 2.9Å; N121-R124 WeakPolarHBondContact O-CA 3.44Å; N121-R124 WeakPolarHBondContact O-CB 3.48Å; N121-R124 PolarHBondContact O-N 3.05Å; N122-R124 PolarHBondContact O-N 2.8Å
125V87.3Confident87.6Confident5 Ų566.1 Ų66.13%0.0333%0.328CS..EExtended strand (participates in β ladder)trans-95.4130.3-179.9-179.90000109.2F34 I117 K120 F127F34-V125 HydrophobicContact CE1-CB 4.09Å; F34-V125 HydrophobicContact CE1-CG1 4.41Å; F34-V125 HydrophobicContact CE1-CG2 4.25Å; F34-V125 HydrophobicContact CZ-CB 3.99Å; F34-V125 HydrophobicContact CZ-CG1 4.1Å; F34-V125 HydrophobicContact CZ-CG2 3.78Å; I117-V125 HydrophobicContact CB-CG1 4.46Å; I117-V125 HydrophobicContact CD1-CG1 3.69Å; I117-V125 HydrophobicContact CG1-CG1 3.78Å; I117-V125 HydrophobicContact CG2-CG1 3.97Å; K120-V125 HydrophobicContact CG-CG2 4.28Å; V125-F127 HydrophobicContact CB-CE2 4.29Å; V125-F127 HydrophobicContact CG1-CD2 4.23Å; V125-F127 HydrophobicContact CG1-CE1 4.27Å; V125-F127 HydrophobicContact CG1-CE2 3.77Å; V125-F127 HydrophobicContact CG1-CZ 3.79Å
126T91.8Very high87.6Confident28 Ų2869.2 Ų69.217%0.17236%0.359CS..EExtended strand (participates in β ladder)trans-103.4119.1172.5-54.20000109I66 V118 C119I66-T126 WeakPolarHBondContact CD1-OG1 3.42Å; I66-T126 HydrophobicContact CG1-CG2 4.27Å; I66-T126 WeakPolarHBondContact O-CA 3.4Å; V118-T126 PolarHBondContact N-O 3.2Å; C119-T126 PolarHBondContact O-N 3.12Å
127F94.6Very high87.7Confident0 Ų072.1 Ų72.10%037%0.374CS..EExtended strand (participates in β ladder)trans-91.1150.2177.2-72.7-79.4000111.6F29 F34 V50 T65 I66 F67 S68 S71 M115 S116 I117 V125F29-F127 AromaticContact CD2-CE1 3.81Å; F29-F127 HydrophobicContact CD2-CE1 3.81Å; F29-F127 HydrophobicContact CD2-CZ 4.24Å; F29-F127 HydrophobicContact CE2-CD1 4.48Å; F29-F127 AromaticContact CE2-CE1 3.58Å; F29-F127 HydrophobicContact CE2-CE1 3.58Å; F29-F127 HydrophobicContact CE2-CZ 4.31Å; F29-F127 HydrophobicContact CG-CE1 4.36Å; F29-F127 AromaticContact CZ-CE1 3.96Å; F29-F127 HydrophobicContact CZ-CE1 3.96Å; F34-F127 HydrophobicContact CB-CZ 4.35Å; F34-F127 AromaticContact CD1-CE2 3.53Å; F34-F127 HydrophobicContact CD1-CE2 3.53Å; F34-F127 AromaticContact CD1-CZ 3.48Å; F34-F127 HydrophobicContact CD1-CZ 3.48Å; F34-F127 VanDerWaalsContact CD1-CZ 3.48Å; F34-F127 AromaticContact CD2-CZ 3.75Å; F34-F127 HydrophobicContact CD2-CZ 3.75Å; F34-F127 AromaticContact CE1-CE2 3.59Å; F34-F127 HydrophobicContact CE1-CE2 3.59Å; F34-F127 AromaticContact CE1-CZ 3.57Å; F34-F127 HydrophobicContact CE1-CZ 3.57Å; F34-F127 AromaticContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CG-CE2 4.07Å; F34-F127 AromaticContact CG-CZ 3.56Å; F34-F127 HydrophobicContact CG-CZ 3.56Å; F34-F127 HydrophobicContact CZ-CE2 4.19Å; F34-F127 AromaticContact CZ-CZ 3.75Å; F34-F127 HydrophobicContact CZ-CZ 3.75Å; V50-F127 HydrophobicContact CG1-CD2 4.44Å; V50-F127 HydrophobicContact CG1-CE2 4.27Å; T65-F127 HydrophobicContact CG2-CD2 4.48Å; T65-F127 HydrophobicContact CG2-CE2 3.98Å; I66-F127 PolarHBondContact O-N 3.45Å; F67-F127 CarbonylContact C-O 3.57Å; F67-F127 VanDerWaalsContact CA-O 3.32Å; F67-F127 WeakPolarHBondContact CA-O 3.46Å; F67-F127 HydrophobicContact CD1-CB 3.74Å; F67-F127 HydrophobicContact CE1-CB 3.83Å; S68-F127 PolarHBondContact N-O 2.84Å; S68-F127 PolarHBondContact OG-O 3.18Å; S71-F127 PolarHBondContact OG-O 2.89Å; M115-F127 HydrophobicContact CG-CD1 3.72Å; M115-F127 HydrophobicContact CG-CE1 4.34Å; M115-F127 HydrophobicContact CG-CG 4.36Å; M115-F127 HydrophobicContact SD-CD1 4.18Å; M115-F127 HydrophobicContact SD-CG 4.46Å; S116-F127 CarbonylContact O-C 3.51Å; S116-F127 WeakPolarHBondContact O-CA 3.42Å; S116-F127 WeakPolarHBondContact O-CD1 3.28Å; I117-F127 HydrophobicContact CD1-CE1 4.3Å; I117-F127 HydrophobicContact CG1-CD1 4.07Å; I117-F127 HydrophobicContact CG1-CE1 3.64Å; I117-F127 HydrophobicContact CG1-CZ 4.32Å; V125-F127 HydrophobicContact CB-CE2 4.29Å; V125-F127 HydrophobicContact CG1-CD2 4.23Å; V125-F127 HydrophobicContact CG1-CE1 4.27Å; V125-F127 HydrophobicContact CG1-CE2 3.77Å; V125-F127 HydrophobicContact CG1-CZ 3.79Å
128R94.9Very high87.9Confident88 Ų8873.7 Ų73.733%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-108.9121.5159.2170.1-176.3-66.4140.3-5.4108.6D70 S71 M115 S116 V118 T130D70-R128 IonicContact OD1-NE 3.04Å; D70-R128 IonicContact OD1-NH2 2.79Å; D70-R128 IonicContact OD2-CZ 3.48Å; D70-R128 IonicContact OD2-NE 2.86Å; D70-R128 PolarHBondContact OD2-NE 3.32Å; D70-R128 IonicContact OD2-NH2 3.37Å; D70-R128 PolarHBondContact OD2-NH2 3.23Å; S71-R128 VanDerWaalsContact OG-CA 3.28Å; S71-R128 WeakPolarHBondContact OG-CA 3.49Å; M115-R128 WeakPolarHBondContact CA-O 3.44Å; S116-R128 PolarHBondContact N-O 2.85Å; S116-R128 PolarHBondContact O-N 2.89Å; S116-R128 PolarHBondContact OG-O 3.15Å; V118-R128 HydrophobicContact CG2-CB 3.28Å; V118-R128 HydrophobicContact CG2-CG 4.47Å; R128-T130 HydrophobicContact CG-CG2 3.87Å
129C95.5Very high88.3Confident0 Ų070.7 Ų70.70%037%0.367CS..EExtended strand (participates in β ladder)trans-109.4119170.8-1730000108.9F67 S71 C72 V114 M115F67-C129 HydrophobicContact CD2-CB 4.42Å; F67-C129 HydrophobicContact CE2-CB 3.99Å; F67-C129 HydrophobicContact CZ-CB 4.23Å; S71-C129 CarbonylContact C-O 3.52Å; S71-C129 WeakPolarHBondContact CA-O 3.16Å; S71-C129 PolarHBondContact OG-N 2.87Å; S71-C129 VanDerWaalsContact OG-N 3.09Å; C72-C129 PolarHBondContact N-O 2.79Å; C72-C129 WeakPolarHBondContact O-CB 3.23Å; C72-C129 PolarHBondContact SG-O 2.87Å; C72-C129 VanDerWaalsContact SG-SG 3.66Å; V114-C129 WeakPolarHBondContact O-CA 3.45Å; M115-C129 HydrophobicContact CE-CB 4.02Å
130T94.6Very high88.9Confident46 Ų4673.1 Ų73.128%0.28237%0.374SS..EExtended strand (participates in β ladder)trans-116.3125.3175.256.40000110.1Y113 V114 R128Y113-T130 WeakPolarHBondContact CA-O 3.24Å; V114-T130 PolarHBondContact N-O 2.96Å; V114-T130 PolarHBondContact O-N 3.45Å; R128-T130 HydrophobicContact CG-CG2 3.87Å
131E95.5Very high89.7Confident75 Ų7570.2 Ų70.235%0.3537%0.366SS..EExtended strand (participates in β ladder)trans-71.7132.1166.3-173.6174.1155.300108.9C72 K111 I112 Y113C72-E131 PolarHBondContact SG-N 2.97Å; K111-E131 WeakPolarHBondContact CD-OE1 3.41Å; K111-E131 WeakPolarHBondContact CE-OE1 3.44Å; K111-E131 IonicContact NZ-OE1 2.89Å; K111-E131 PolarHBondContact NZ-OE1 3.02Å; I112-E131 WeakPolarHBondContact O-CA 3.24Å; Y113-E131 HydrophobicContact CD1-CB 4.09Å; Y113-E131 HydrophobicContact CD1-CG 4.41Å; Y113-E131 HydrophobicContact CE1-CB 4.01Å; Y113-E131 HydrophobicContact CE1-CG 4.05Å
132K92.9Very high90.8Very high77 Ų7765.3 Ų65.334%0.33534%0.34SS..EExtended strand (participates in β ladder)trans-111.6123.3174.2-75-77.4-168.7153.80107.7I112 V114 F192I112-K132 HydrophobicContact CG2-CB 3.8Å; I112-K132 WeakPolarHBondContact CG2-O 3.45Å; I112-K132 PolarHBondContact O-N 3.23Å; V114-K132 HydrophobicContact CG2-CG 3.82Å; K132-F192 PolarHBondContact NZ-O 3.21Å; K132-F192 VanDerWaalsContact NZ-O 3.15Å
133D90.6Very high92.6Very high110 Ų11057.9 Ų57.959%0.58830%0.299SS*.  trans-76139.4172.9-70.6-49.8000110.2K111K111-D133 IonicContact NZ-OD1 3.79Å; K111-D133 PolarHBondContact NZ-OD1 3.15Å
134L94.3Very high94.1Very high26 Ų2649.3 Ų49.314%0.13626%0.264CS..  trans-104139.1176.3-63.5-179.2000110.3I112 V138 V190 G195I112-L134 HydrophobicContact CB-CD1 4.48Å; I112-L134 HydrophobicContact CG2-CD1 3.97Å; I112-L134 HydrophobicContact CG2-CD2 3.9Å; I112-L134 HydrophobicContact CG2-CG 3.72Å; L134-V138 HydrophobicContact CB-CG1 4.05Å; L134-V138 HydrophobicContact CB-CG2 3.92Å; L134-V138 WeakPolarHBondContact O-CG2 3.41Å; L134-V190 HydrophobicContact CD2-CG1 3.58Å; L134-G195 CarbonylContact C-O 3.51Å; L134-G195 VanDerWaalsContact CA-O 3.28Å; L134-G195 WeakPolarHBondContact CA-O 3.37Å
135V95.3Very high95.1Very high83 Ų8342.8 Ų42.850%0.50324%0.24SC..EExtended strand (participates in β ladder)trans-129.8157.7176.9-62.70000110.8G195 A197V135-G195 PolarHBondContact N-O 2.76Å; V135-A197 PolarHBondContact O-N 3.25Å
136G95.2Very high95.6Very high64 Ų6443 Ų4366%0.6624%0.242SC*.EExtended strand (participates in β ladder)trans93.5-134.4-175.900000111.9V138G136-V138 PolarHBondContact O-N 3.26Å
137D96.2Very high95.9Very high74 Ų7441.7 Ų41.740%0.39623%0.234SC..SBendtrans-81.567.5179.5-63.9-18.7000110.4F188 A197 S199D137-F188 WeakPolarHBondContact O-CD1 3.44Å; D137-F188 VanDerWaalsContact O-CE1 3.31Å; D137-F188 WeakPolarHBondContact O-CE1 3.22Å; D137-A197 PolarHBondContact N-O 3.38Å; D137-A197 WeakPolarHBondContact O-CB 3.38Å; D137-S199 WeakPolarHBondContact OD2-CB 3.24Å; D137-S199 PolarHBondContact OD2-N 2.85Å; D137-S199 PolarHBondContact OD2-OG 2.93Å
138V96Very high96.1Very high61 Ų6142.8 Ų42.837%0.3724%0.24SC..PPolyproline II helixtrans-64.7128.2-176.5-1760000110.1L134 G136L134-V138 HydrophobicContact CB-CG1 4.05Å; L134-V138 HydrophobicContact CB-CG2 3.92Å; L134-V138 WeakPolarHBondContact O-CG2 3.41Å; G136-V138 PolarHBondContact O-N 3.26Å
139P95.9Very high96.1Very high2 Ų239.1 Ų39.11%0.01323%0.227CC..PPolyproline II helixtrans-65139.5175.427-34000110.6L160 F188P139-L160 HydrophobicContact CB-CD2 4Å; P139-L160 HydrophobicContact CG-CD1 4.16Å; P139-L160 HydrophobicContact CG-CD2 4.3Å; P139-F188 HydrophobicContact CB-CD1 3.99Å; P139-F188 HydrophobicContact CB-CD2 4.1Å; P139-F188 HydrophobicContact CB-CE1 3.9Å; P139-F188 HydrophobicContact CB-CE2 4.03Å; P139-F188 HydrophobicContact CB-CG 4.08Å; P139-F188 HydrophobicContact CB-CZ 3.93Å; P139-F188 HydrophobicContact CG-CD1 4.4Å; P139-F188 HydrophobicContact CG-CG 4.49Å
140E95.1Very high96.1Very high92 Ų9239.1 Ų39.143%0.4323%0.227SC..PPolyproline II helixtrans-57.9153.2172.461.4173.3-160.400112.6R142 S165 C183E140-R142 WeakPolarHBondContact O-CG 3.34Å; E140-R142 PolarHBondContact O-N 2.86Å; E140-R142 PolarHBondContact O-NE 3.46Å; E140-S165 WeakPolarHBondContact OE1-CB 3.39Å; E140-S165 PolarHBondContact OE1-OG 3.35Å; E140-C183 PolarHBondContact OE1-SG 3.4Å
141A97.1Very high96Very high28 Ų2840.8 Ų40.823%0.23123%0.228CC..SBendtrans-54.2124.7175.400000111.2L108 D110 S165L108-A141 HydrophobicContact CB-CB 3.58Å; L108-A141 WeakPolarHBondContact CD1-O 3.49Å; L108-A141 WeakPolarHBondContact O-CB 3.35Å; D110-A141 HydrophobicContact CB-CB 3.92Å; A141-S165 WeakPolarHBondContact O-CB 3.49Å
142R98.2Very high95.9Very high5 Ų537.6 Ų37.62%0.01921%0.214CC..  trans-153.6163-168.364.2-179.472.2-162.32.7113.2G101 E140 H145 G162 R164G101-R142 PolarHBondContact N-O 2.89Å; E140-R142 WeakPolarHBondContact O-CG 3.34Å; E140-R142 PolarHBondContact O-N 2.86Å; E140-R142 PolarHBondContact O-NE 3.46Å; R142-H145 HydrophobicContact CG-CB 4.38Å; R142-G162 WeakPolarHBondContact CD-O 3.12Å; R142-G162 PolarHBondContact NH1-O 3.37Å; R142-R164 CarbonylContact C-O 3.55Å; R142-R164 WeakPolarHBondContact CA-O 3.27Å; R142-R164 WeakPolarHBondContact CB-O 3.5Å
143Y98.7Very high95.8Very high15 Ų1542.6 Ų42.66%0.05923%0.231CC..BIsolated β-bridgetrans-140.2160.6174.874.2-77.4000111.2Y79 K102 L108 H145 G163 R164 V180 F211Y79-Y143 HydrophobicContact CD2-CD2 4.33Å; Y79-Y143 HydrophobicContact CG-CD2 4.41Å; K102-Y143 HydrophobicContact CD-CD1 4.45Å; K102-Y143 HydrophobicContact CD-CD2 4.43Å; K102-Y143 HydrophobicContact CD-CE2 4.47Å; K102-Y143 HydrophobicContact CD-CG 4.4Å; K102-Y143 HydrophobicContact CG-CD1 4.18Å; K102-Y143 HydrophobicContact CG-CD2 4.29Å; K102-Y143 HydrophobicContact CG-CG 3.94Å; K102-Y143 PolarHBondContact NZ-OH 2.82Å; K102-Y143 VanDerWaalsContact NZ-OH 3.14Å; L108-Y143 HydrophobicContact CD1-CD1 4.35Å; L108-Y143 HydrophobicContact CD2-CD1 3.61Å; L108-Y143 HydrophobicContact CD2-CE1 4.3Å; L108-Y143 HydrophobicContact CD2-CG 4.35Å; Y143-H145 PolarHBondContact O-N 3.1Å; Y143-G163 WeakPolarHBondContact O-CA 2.96Å; Y143-R164 HydrophobicContact CD1-CB 4.11Å; Y143-R164 WeakPolarHBondContact CD1-O 3.37Å; Y143-R164 HydrophobicContact CE1-CB 3.56Å; Y143-R164 PolarHBondContact N-O 2.86Å; Y143-R164 PolarHBondContact O-N 3.4Å; Y143-V180 HydrophobicContact CE1-CG1 4.14Å; Y143-F211 HydrophobicContact CD2-CZ 4.11Å; Y143-F211 AromaticContact CE2-CZ 3.75Å; Y143-F211 HydrophobicContact CE2-CZ 3.75Å
144G98.2Very high95.6Very high7 Ų740.4 Ų40.47%0.07224%0.235CC..SBendtrans65.421.2-178.200000113.5Y79 F211Y79-G144 PolarHBondContact O-N 2.89Å; G144-F211 PolarHBondContact O-N 2.79Å
145H98.7Very high95.4Very high12 Ų1243.7 Ų43.76%0.05625%0.248CC..  trans-90.3175.3168.461-65.2000110.7A81 H99 R142 Y143 F161 G162A81-H145 WeakPolarHBondContact CB-CD2 3.31Å; A81-H145 WeakPolarHBondContact CB-NE2 3.32Å; A81-H145 WeakPolarHBondContact CB-O 3.44Å; H99-H145 AromaticContact CE1-NE2 3.79Å; H99-H145 AromaticContact CG-NE2 3.71Å; H99-H145 AromaticContact ND1-CD2 4Å; H99-H145 AromaticContact ND1-CE1 3.52Å; H99-H145 AromaticContact ND1-NE2 2.93Å; H99-H145 PolarHBondContact ND1-NE2 2.93Å; H99-H145 PolarHBondContact O-CE1 3.26Å; H99-H145 PolarHBondContact O-NE2 2.8Å; R142-H145 HydrophobicContact CG-CB 4.38Å; Y143-H145 PolarHBondContact O-N 3.1Å; H145-F161 WeakPolarHBondContact CB-O 3.25Å; H145-G162 VanDerWaalsContact CB-C 3.49Å; H145-G162 WeakPolarHBondContact CB-O 3.43Å
146S98.5Very high95.3Very high10 Ų1041.6 Ų41.67%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-112.6151169.962.40000111.6L160 F161 H212 S214S146-L160 WeakPolarHBondContact O-CA 3.28Å; S146-F161 PolarHBondContact N-O 2.86Å; S146-F161 PolarHBondContact O-N 3.26Å; S146-F161 PolarHBondContact OG-O 3.48Å; S146-H212 WeakPolarHBondContact CB-NE2 3.45Å; S146-H212 PolarHBondContact OG-NE2 2.87Å; S146-S214 WeakPolarHBondContact CB-OG 3.27Å
147I98.2Very high95.3Very high1 Ų139.5 Ų39.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-133.4137164-167.9168.1000107.1A81 C83 I97 H99 I112 V159 L160 F192A81-I147 HydrophobicContact CB-CB 3.99Å; A81-I147 HydrophobicContact CB-CG2 3.6Å; C83-I147 HydrophobicContact CB-CG2 4.29Å; C83-I147 VanDerWaalsContact CB-O 3.24Å; C83-I147 WeakPolarHBondContact CB-O 3.47Å; I97-I147 HydrophobicContact CG2-CD1 3.98Å; H99-I147 HydrophobicContact CB-CD1 4.28Å; I112-I147 HydrophobicContact CD1-CD1 4.2Å; I147-V159 CarbonylContact C-O 3.57Å; I147-V159 VanDerWaalsContact CA-O 3.31Å; I147-V159 WeakPolarHBondContact CA-O 3.37Å; I147-L160 HydrophobicContact CD1-CD1 4.48Å; I147-L160 HydrophobicContact CG1-CB 4.31Å; I147-F192 HydrophobicContact CD1-CE1 4.31Å; I147-F192 HydrophobicContact CD1-CZ 4.13Å
148N97.5Very high95.3Very high23 Ų2336 Ų3612%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-141.9162.8171.1-67.7100.5000110.1G158 V159 S214 A216 I221N148-G158 CarbonylContact O-C 3.54Å; N148-G158 WeakPolarHBondContact O-CA 3.47Å; N148-V159 PolarHBondContact N-O 3.08Å; N148-V159 PolarHBondContact O-N 2.86Å; N148-S214 WeakPolarHBondContact OD1-CB 3.38Å; N148-S214 PolarHBondContact OD1-OG 2.82Å; N148-A216 HydrophobicContact CB-CB 3.7Å; N148-I221 HydrophobicContact CB-CD1 3.98Å; N148-I221 HydrophobicContact CB-CG1 4.31Å
149V96.1Very high95.4Very high10 Ų1033.2 Ų33.26%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-103.6130.3176.1-1710000109.3F85 Y151 M157 F192F85-V149 HydrophobicContact CB-CG2 4.23Å; F85-V149 HydrophobicContact CD2-CG1 3.97Å; F85-V149 HydrophobicContact CD2-CG2 3.97Å; F85-V149 HydrophobicContact CE2-CG1 4.36Å; V149-Y151 HydrophobicContact CB-CE2 4.35Å; V149-Y151 HydrophobicContact CG1-CE1 4.26Å; V149-Y151 HydrophobicContact CG1-CE2 4.01Å; V149-M157 WeakPolarHBondContact CA-O 3.46Å; V149-F192 HydrophobicContact CG2-CE2 3.97Å
150V95.2Very high95.5Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-106.8150.4169.9-64.60000110.2S156 M157 V159 N218 I221 V243V150-S156 CarbonylContact O-C 3.55Å; V150-S156 VanDerWaalsContact O-CA 3.3Å; V150-S156 WeakPolarHBondContact O-CA 3.5Å; V150-M157 HydrophobicContact CG2-CB 4.06Å; V150-M157 WeakPolarHBondContact CG2-O 3.42Å; V150-M157 PolarHBondContact N-O 2.96Å; V150-M157 PolarHBondContact O-N 3.08Å; V150-V159 HydrophobicContact CB-CG2 4.48Å; V150-V159 HydrophobicContact CG1-CG2 3.97Å; V150-V159 HydrophobicContact CG2-CG2 3.72Å; V150-N218 CarbonylContact C-O 3.57Å; V150-N218 VanDerWaalsContact CA-O 3.22Å; V150-N218 WeakPolarHBondContact CA-O 3.34Å; V150-N218 WeakPolarHBondContact CB-O 3.29Å; V150-I221 HydrophobicContact CG1-CD1 3.56Å; V150-I221 HydrophobicContact CG1-CG1 3.57Å; V150-V243 HydrophobicContact CG2-CB 3.93Å; V150-V243 HydrophobicContact CG2-CG1 4.11Å; V150-V243 HydrophobicContact CG2-CG2 4.23Å
151Y93.3Very high95.7Very high82 Ų8228.9 Ų28.932%0.32215%0.154SC..EExtended strand (participates in β ladder)trans-121.8119.1177.5-57.8-91.4000108.8K86 V149 K155 N218 D219K86-Y151 PolarHBondContact N-OH 3.44Å; V149-Y151 HydrophobicContact CB-CE2 4.35Å; V149-Y151 HydrophobicContact CG1-CE1 4.26Å; V149-Y151 HydrophobicContact CG1-CE2 4.01Å; Y151-K155 CarbonylContact C-O 3.54Å; Y151-K155 VanDerWaalsContact CA-O 3.32Å; Y151-K155 WeakPolarHBondContact CA-O 3.31Å; Y151-N218 PolarHBondContact N-O 3.12Å; Y151-N218 CarbonylContact O-C 3.46Å; Y151-N218 VanDerWaalsContact O-C 3.28Å; Y151-D219 WeakPolarHBondContact O-CA 3.17Å; Y151-D219 PolarHBondContact O-N 3.36Å
152S93.1Very high95.7Very high8 Ų827.6 Ų27.66%0.05614%0.143CC..EExtended strand (participates in β ladder)trans-140.2127-178.3-172.40000109.9G154 K155 V243 D244 L245S152-G154 PolarHBondContact O-N 3.16Å; S152-G154 VanDerWaalsContact O-N 3.14Å; S152-K155 PolarHBondContact N-O 3.37Å; S152-K155 PolarHBondContact O-N 3.45Å; S152-V243 WeakPolarHBondContact CB-O 3.45Å; S152-V243 PolarHBondContact OG-O 3.28Å; S152-D244 PolarHBondContact OG-OD1 3.49Å; S152-L245 PolarHBondContact OG-N 2.7Å
153R90.6Very high95.7Very high182 Ų18227.3 Ų27.369%0.68714%0.142SC*.THydrogen-bonded Turntrans51.136.8180-54.1-179.4-175.8-113.24.9114.3K155 D244R153-K155 VanDerWaalsContact C-N 3.28Å; R153-K155 PolarHBondContact O-N 3.38Å; R153-D244 IonicContact CZ-OD1 2.68Å; R153-D244 IonicContact CZ-OD2 3.14Å; R153-D244 IonicContact NE-OD1 3.13Å; R153-D244 PolarHBondContact NE-OD1 3.2Å; R153-D244 IonicContact NE-OD2 3.89Å; R153-D244 IonicContact NH2-OD1 2.7Å; R153-D244 PolarHBondContact NH2-OD1 2.8Å; R153-D244 IonicContact NH2-OD2 3.37Å; R153-D244 PolarHBondContact NH2-OD2 3.37Å
154G87.1Confident95.7Very high64 Ų6428.2 Ų28.266%0.6615%0.145SC*.THydrogen-bonded Turntrans79.52.4-179.500000115.1S152S152-G154 PolarHBondContact O-N 3.16Å; S152-G154 VanDerWaalsContact O-N 3.14Å
155K90.3Very high95.7Very high94 Ų9428.3 Ų28.341%0.40915%0.145SC..EExtended strand (participates in β ladder)trans-103.7149.4173.5-61.5179.5179.6-1790110.5Y151 S152 R153 L245 P246Y151-K155 CarbonylContact C-O 3.54Å; Y151-K155 VanDerWaalsContact CA-O 3.32Å; Y151-K155 WeakPolarHBondContact CA-O 3.31Å; S152-K155 PolarHBondContact N-O 3.37Å; S152-K155 PolarHBondContact O-N 3.45Å; R153-K155 VanDerWaalsContact C-N 3.28Å; R153-K155 PolarHBondContact O-N 3.38Å; K155-L245 HydrophobicContact CB-CB 4.32Å; K155-L245 HydrophobicContact CB-CD1 3.8Å; K155-L245 HydrophobicContact CD-CB 4.23Å; K155-P246 PolarHBondContact NZ-O 2.92Å; K155-P246 VanDerWaalsContact NZ-O 3.1Å
156S92.1Very high95.6Very high39 Ų3928.9 Ų28.927%0.27315%0.147SC..EExtended strand (participates in β ladder)trans-106.6149.8171.862.60000110.5V150V150-S156 CarbonylContact O-C 3.55Å; V150-S156 VanDerWaalsContact O-CA 3.3Å; V150-S156 WeakPolarHBondContact O-CA 3.5Å
157M94.9Very high95.3Very high20 Ų2031.5 Ų31.510%0.09916%0.159CC..EExtended strand (participates in β ladder)trans-149.1135.1176.7-172.96359.800109.4V149 V150 L189 V190 D191 L245V149-M157 WeakPolarHBondContact CA-O 3.46Å; V150-M157 HydrophobicContact CG2-CB 4.06Å; V150-M157 WeakPolarHBondContact CG2-O 3.42Å; V150-M157 PolarHBondContact N-O 2.96Å; V150-M157 PolarHBondContact O-N 3.08Å; M157-L189 HydrophobicContact CG-CB 3.92Å; M157-L189 HydrophobicContact CG-CD1 4.42Å; M157-L189 HydrophobicContact CG-CD2 4.08Å; M157-L189 HydrophobicContact CG-CG 4.36Å; M157-L189 HydrophobicContact SD-CB 4.01Å; M157-V190 VanDerWaalsContact SD-O 3.33Å; M157-D191 HydrophobicContact CE-CB 4.07Å; M157-D191 HydrophobicContact SD-CB 4.06Å; M157-D191 PolarHBondContact SD-N 3.37Å; M157-L245 HydrophobicContact CB-CD1 3.77Å; M157-L245 HydrophobicContact CB-CD2 4.22Å; M157-L245 HydrophobicContact CE-CD2 4.2Å; M157-L245 HydrophobicContact CG-CD2 4.38Å
158G96.8Very high94.9Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-74.2138.2168.900000110.5N148 L189 V190N148-G158 CarbonylContact O-C 3.54Å; N148-G158 WeakPolarHBondContact O-CA 3.47Å; G158-L189 CarbonylContact O-C 3.49Å; G158-L189 VanDerWaalsContact O-CA 3.31Å; G158-L189 WeakPolarHBondContact O-CA 3.33Å; G158-V190 WeakPolarHBondContact CA-O 3.15Å; G158-V190 PolarHBondContact N-O 2.81Å; G158-V190 PolarHBondContact O-N 3.28Å
159V98.3Very high94.3Very high4 Ų438.9 Ų38.92%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-124.2116.9174.5-173.80000108.1I147 N148 V150 V187 F188 L189 I221 V243I147-V159 CarbonylContact C-O 3.57Å; I147-V159 VanDerWaalsContact CA-O 3.31Å; I147-V159 WeakPolarHBondContact CA-O 3.37Å; N148-V159 PolarHBondContact N-O 3.08Å; N148-V159 PolarHBondContact O-N 2.86Å; V150-V159 HydrophobicContact CB-CG2 4.48Å; V150-V159 HydrophobicContact CG1-CG2 3.97Å; V150-V159 HydrophobicContact CG2-CG2 3.72Å; V159-V187 HydrophobicContact CG1-CG1 3.54Å; V159-F188 CarbonylContact C-O 3.49Å; V159-F188 WeakPolarHBondContact CA-O 3.12Å; V159-L189 HydrophobicContact CB-CD2 4.48Å; V159-L189 HydrophobicContact CG1-CD2 4.39Å; V159-L189 HydrophobicContact CG2-CD2 3.8Å; V159-I221 HydrophobicContact CB-CD1 3.26Å; V159-I221 HydrophobicContact CG1-CD1 3.62Å; V159-I221 HydrophobicContact CG2-CD1 3.52Å; V159-V243 HydrophobicContact CG2-CG2 4.06Å
160L98.4Very high93.9Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-111.3135.6-179.4176.8152.9000110.4P139 S146 I147 F188P139-L160 HydrophobicContact CB-CD2 4Å; P139-L160 HydrophobicContact CG-CD1 4.16Å; P139-L160 HydrophobicContact CG-CD2 4.3Å; S146-L160 WeakPolarHBondContact O-CA 3.28Å; I147-L160 HydrophobicContact CD1-CD1 4.48Å; I147-L160 HydrophobicContact CG1-CB 4.31Å; L160-F188 HydrophobicContact CB-CB 4.17Å; L160-F188 HydrophobicContact CD2-CB 4.27Å; L160-F188 HydrophobicContact CD2-CD2 3.68Å; L160-F188 HydrophobicContact CD2-CE2 4.4Å; L160-F188 HydrophobicContact CD2-CG 4.23Å; L160-F188 PolarHBondContact N-O 2.86Å; L160-F188 PolarHBondContact O-N 3.02Å
161F98.6Very high93.4Very high3 Ų350.8 Ų50.81%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-147.5140.2-178.3177.9-109.4000113.4H145 S146 P185 V187 L205 L209 H212 I223H145-F161 WeakPolarHBondContact CB-O 3.25Å; S146-F161 PolarHBondContact N-O 2.86Å; S146-F161 PolarHBondContact O-N 3.26Å; S146-F161 PolarHBondContact OG-O 3.48Å; F161-P185 HydrophobicContact CE2-CB 4.2Å; F161-V187 HydrophobicContact CD2-CG2 3.93Å; F161-L205 HydrophobicContact CD2-CD1 4.22Å; F161-L205 HydrophobicContact CE2-CD1 3.66Å; F161-L205 HydrophobicContact CE2-CG 4.46Å; F161-L205 HydrophobicContact CZ-CD1 4.11Å; F161-L205 HydrophobicContact CZ-CD2 4.14Å; F161-L209 HydrophobicContact CE1-CB 4.15Å; F161-L209 HydrophobicContact CE1-CD2 4.03Å; F161-L209 HydrophobicContact CZ-CB 4.35Å; F161-H212 AromaticContact CD1-CE1 3.78Å; F161-H212 AromaticContact CD1-NE2 3.68Å; F161-H212 PolarHBondContact O-CE1 2.92Å; F161-I223 HydrophobicContact CD1-CD1 4.23Å; F161-I223 HydrophobicContact CD1-CG1 4.14Å; F161-I223 HydrophobicContact CD1-CG2 4.19Å; F161-I223 HydrophobicContact CE1-CG2 4.06Å
162G97.9Very high93.2Very high0 Ų049.9 Ų49.90%027%0.269CS..  trans74.8-153169.200000114.5R142 H145 L209R142-G162 WeakPolarHBondContact CD-O 3.12Å; R142-G162 PolarHBondContact NH1-O 3.37Å; H145-G162 VanDerWaalsContact CB-C 3.49Å; H145-G162 WeakPolarHBondContact CB-O 3.43Å; G162-L209 CarbonylContact C-O 3.51Å; G162-L209 WeakPolarHBondContact CA-O 3.06Å
163G98.1Very high93.1Very high0 Ų052.8 Ų52.80%029%0.287CS..  trans101-178.1-178.900000114.5Y143 D182 C183 L209Y143-G163 WeakPolarHBondContact O-CA 2.96Å; G163-D182 WeakPolarHBondContact O-CA 2.96Å; G163-C183 PolarHBondContact O-N 2.89Å; G163-L209 PolarHBondContact N-O 3.39Å
164R98.2Very high93.1Very high33 Ų3350.1 Ų50.113%0.12529%0.291CS..EExtended strand (participates in β ladder)trans-122146174.8-74.2174.8177.8176.41111.1R142 Y143 V180 A181 D182 S210 H227R142-R164 CarbonylContact C-O 3.55Å; R142-R164 WeakPolarHBondContact CA-O 3.27Å; R142-R164 WeakPolarHBondContact CB-O 3.5Å; Y143-R164 HydrophobicContact CD1-CB 4.11Å; Y143-R164 WeakPolarHBondContact CD1-O 3.37Å; Y143-R164 HydrophobicContact CE1-CB 3.56Å; Y143-R164 PolarHBondContact N-O 2.86Å; Y143-R164 PolarHBondContact O-N 3.4Å; R164-V180 HydrophobicContact CB-CB 4.49Å; R164-A181 VanDerWaalsContact CA-O 3.24Å; R164-A181 WeakPolarHBondContact CA-O 3.3Å; R164-D182 VanDerWaalsContact CG-OD1 3.24Å; R164-D182 WeakPolarHBondContact CG-OD1 3.39Å; R164-D182 IonicContact NE-OD1 3.22Å; R164-D182 PolarHBondContact NE-OD1 2.8Å; R164-S210 PolarHBondContact NE-OG 2.81Å; R164-H227 PolarHBondContact NH2-CE1 2.86Å; R164-H227 VanDerWaalsContact NH2-CE1 3.3Å; R164-H227 PolarHBondContact NH2-ND1 2.83Å
165S97.7Very high93.3Very high9 Ų955.7 Ų55.76%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-127.9164.4172.258.80000110.1E140 A141 V180 A181E140-S165 WeakPolarHBondContact OE1-CB 3.39Å; E140-S165 PolarHBondContact OE1-OG 3.35Å; A141-S165 WeakPolarHBondContact O-CB 3.49Å; S165-V180 CarbonylContact O-C 3.55Å; S165-V180 WeakPolarHBondContact O-CA 3.34Å; S165-V180 VanDerWaalsContact O-CB 3.24Å; S165-V180 WeakPolarHBondContact O-CB 3.45Å; S165-A181 PolarHBondContact N-O 2.83Å; S165-A181 PolarHBondContact O-N 3.35Å
166Y96.3Very high93.3Very high24 Ų2457.3 Ų57.39%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-67.3154.5167.5-72.5-61000110N106 L108 R172 V180N106-Y166 WeakPolarHBondContact O-CE2 3.44Å; N106-Y166 PolarHBondContact O-OH 2.66Å; L108-Y166 HydrophobicContact CD1-CD2 3.65Å; L108-Y166 HydrophobicContact CD1-CE2 4.02Å; L108-Y166 HydrophobicContact CD1-CG 4.31Å; L108-Y166 HydrophobicContact CD2-CD2 4.42Å; L108-Y166 HydrophobicContact CD2-CE2 3.94Å; L108-Y166 HydrophobicContact CG-CD2 3.64Å; L108-Y166 HydrophobicContact CG-CE2 3.58Å; Y166-R172 VanDerWaalsContact CG-NH2 3.33Å; Y166-V180 HydrophobicContact CD1-CG1 3.78Å; Y166-V180 HydrophobicContact CE1-CG1 3.9Å
167M92.2Very high93.2Very high66 Ų6661.9 Ų61.933%0.32532%0.318SS..PPolyproline II helixtrans-51.9140.2171.3-68.9-66.8174.500110.4S179 A181M167-S179 PolarHBondContact N-O 2.91Å; M167-A181 HydrophobicContact CE-CB 3.9Å; M167-A181 HydrophobicContact SD-CB 4.04Å
168P89.8Confident93Very high70 Ų7066.1 Ų66.146%0.45534%0.342SS..PPolyproline II helixtrans-52.1148.9177.9-26.633.6000111.7T170 H171 R172P168-T170 PolarHBondContact O-N 2.97Å; P168-H171 CarbonylContact O-C 3.28Å; P168-H171 PolarHBondContact O-N 2.98Å; P168-R172 PolarHBondContact O-N 3.15Å
169S85.3Confident92.9Very high109 Ų10968.3 Ų68.376%0.76236%0.357SS*.THydrogen-bonded Turntrans-53.6-32.1-176.454.40000113.5H171S169-H171 VanDerWaalsContact C-N 3.3Å; S169-H171 PolarHBondContact O-N 2.76Å
170T87.8Confident92.8Very high116 Ų11669.3 Ų69.371%0.71236%0.363SS*.THydrogen-bonded Turntrans-67.6-24.3176.4530000114.3P168P168-T170 PolarHBondContact O-N 2.97Å
171H85.5Confident92.7Very high144 Ų14470.8 Ų70.867%0.66738%0.375SS*.THydrogen-bonded Turntrans-112.5-4.7-178.7-65.3-72.8000113.2P168 S169P168-H171 CarbonylContact O-C 3.28Å; P168-H171 PolarHBondContact O-N 2.98Å; S169-H171 VanDerWaalsContact C-N 3.3Å; S169-H171 PolarHBondContact O-N 2.76Å
172R88.5Confident92.7Very high62 Ų6271.8 Ų71.823%0.23438%0.38CS..  trans-83.8119.2-177.4-161.2176.6-169.7-179.30.8110.3Y166 P168 W177Y166-R172 VanDerWaalsContact CG-NH2 3.33Å; P168-R172 PolarHBondContact O-N 3.15Å; R172-W177 HydrophobicContact CG-CD2 4.47Å; R172-W177 HydrophobicContact CG-CE3 3.81Å; R172-W177 HydrophobicContact CG-CZ3 4.09Å; R172-W177 PolarHBondContact NE-O 3.04Å; R172-W177 PolarHBondContact NH2-O 2.79Å
173T90.1Very high92.7Very high69 Ų6971.9 Ų71.942%0.42338%0.381SS..  trans-108.1162.3172.266.20000110.1E175 K176 W177T173-E175 PolarHBondContact O-N 2.79Å; T173-K176 CarbonylContact O-C 3.52Å; T173-K176 VanDerWaalsContact O-C 3.28Å; T173-K176 PolarHBondContact O-N 2.87Å; T173-K176 PolarHBondContact OG1-N 2.8Å; T173-W177 VanDerWaalsContact O-CA 3.27Å; T173-W177 WeakPolarHBondContact O-CA 3.31Å; T173-W177 PolarHBondContact O-N 2.86Å
174T90.4Very high92.6Very high127 Ų12777.5 Ų77.578%0.77941%0.41SS*.SBendtrans-61.2-33.8174.950.10000112.2K176 W177T174-K176 VanDerWaalsContact C-N 3.35Å; T174-K176 PolarHBondContact O-N 3.29Å; T174-W177 WeakPolarHBondContact O-CB 3.38Å; T174-W177 PolarHBondContact O-N 3.46Å
175E91.9Very high92.5Very high180 Ų18076.8 Ų76.884%0.84141%0.41SS*.THydrogen-bonded Turntrans-67.7-33.2176.2-63179177.500113.1T173T173-E175 PolarHBondContact O-N 2.79Å
176K90.3Very high92.5Very high129 Ų12978.3 Ų78.356%0.56142%0.416SS*.THydrogen-bonded Turntrans-111.528.8179.7-68.2-173179.9-179.90111.7T173 T174 N178 S179T173-K176 CarbonylContact O-C 3.52Å; T173-K176 VanDerWaalsContact O-C 3.28Å; T173-K176 PolarHBondContact O-N 2.87Å; T173-K176 PolarHBondContact OG1-N 2.8Å; T174-K176 VanDerWaalsContact C-N 3.35Å; T174-K176 PolarHBondContact O-N 3.29Å; K176-N178 PolarHBondContact O-N 2.94Å; K176-S179 WeakPolarHBondContact CB-OG 3.45Å; K176-S179 VanDerWaalsContact O-CB 3.29Å; K176-S179 WeakPolarHBondContact O-CB 3.47Å; K176-S179 PolarHBondContact O-N 3.02Å; K176-S179 PolarHBondContact O-OG 2.97Å
177W89.6Confident92.6Very high134 Ų13477.2 Ų77.251%0.50841%0.412SS..THydrogen-bonded Turntrans-58.6-38-171.6-170.9-104.2000112.1R172 T173 T174R172-W177 HydrophobicContact CG-CD2 4.47Å; R172-W177 HydrophobicContact CG-CE3 3.81Å; R172-W177 HydrophobicContact CG-CZ3 4.09Å; R172-W177 PolarHBondContact NE-O 3.04Å; R172-W177 PolarHBondContact NH2-O 2.79Å; T173-W177 VanDerWaalsContact O-CA 3.27Å; T173-W177 WeakPolarHBondContact O-CA 3.31Å; T173-W177 PolarHBondContact O-N 2.86Å; T174-W177 WeakPolarHBondContact O-CB 3.38Å; T174-W177 PolarHBondContact O-N 3.46Å
178N91.8Very high92.9Very high110 Ų11074.7 Ų74.759%0.58840%0.399SS*.THydrogen-bonded Turntrans-94.16.4-179.2-64.7-34.5000113.7K176K176-N178 PolarHBondContact O-N 2.94Å
179S94.1Very high93.3Very high45 Ų4571.3 Ų71.332%0.31538%0.377SS..  trans-70.1136.2176.1-63.90000110.8M167 K176M167-S179 PolarHBondContact N-O 2.91Å; K176-S179 WeakPolarHBondContact CB-OG 3.45Å; K176-S179 VanDerWaalsContact O-CB 3.29Å; K176-S179 WeakPolarHBondContact O-CB 3.47Å; K176-S179 PolarHBondContact O-N 3.02Å; K176-S179 PolarHBondContact O-OG 2.97Å
180V96.8Very high93.8Very high26 Ų2666.1 Ų66.116%0.15834%0.341CS..EExtended strand (participates in β ladder)trans-119.9154.4-177.5-64.80000110.5Y143 R164 S165 Y166 L229Y143-V180 HydrophobicContact CE1-CG1 4.14Å; R164-V180 HydrophobicContact CB-CB 4.49Å; S165-V180 CarbonylContact O-C 3.55Å; S165-V180 WeakPolarHBondContact O-CA 3.34Å; S165-V180 VanDerWaalsContact O-CB 3.24Å; S165-V180 WeakPolarHBondContact O-CB 3.45Å; Y166-V180 HydrophobicContact CD1-CG1 3.78Å; Y166-V180 HydrophobicContact CE1-CG1 3.9Å; V180-L229 HydrophobicContact CG2-CD2 3.94Å; V180-L229 VanDerWaalsContact O-CD2 3.23Å; V180-L229 WeakPolarHBondContact O-CD2 3.13Å
181A96.5Very high94.1Very high30 Ų3062.3 Ų62.325%0.24832%0.316CS..EExtended strand (participates in β ladder)trans-122.4157.7167.800000108.5R164 S165 M167R164-A181 VanDerWaalsContact CA-O 3.24Å; R164-A181 WeakPolarHBondContact CA-O 3.3Å; S165-A181 PolarHBondContact N-O 2.83Å; S165-A181 PolarHBondContact O-N 3.35Å; M167-A181 HydrophobicContact CE-CB 3.9Å; M167-A181 HydrophobicContact SD-CB 4.04Å
182D97.7Very high94.2Very high25 Ų2556.1 Ų56.113%0.13429%0.288CS..EExtended strand (participates in β ladder)trans-70.3143164-61-48.1000108.9G163 R164 S210 S228 L229G163-D182 WeakPolarHBondContact O-CA 2.96Å; R164-D182 VanDerWaalsContact CG-OD1 3.24Å; R164-D182 WeakPolarHBondContact CG-OD1 3.39Å; R164-D182 IonicContact NE-OD1 3.22Å; R164-D182 PolarHBondContact NE-OD1 2.8Å; D182-S210 PolarHBondContact OD1-OG 3.46Å; D182-S228 WeakPolarHBondContact OD2-CA 3.48Å; D182-L229 WeakPolarHBondContact OD2-CA 3.49Å; D182-L229 WeakPolarHBondContact OD2-CB 3.42Å; D182-L229 PolarHBondContact OD2-N 2.79Å
183C97.3Very high94.1Very high2 Ų260.3 Ų60.31%0.01431%0.31CS..PPolyproline II helixtrans-63.4157.5174.4-60.40000110.3E140 G163E140-C183 PolarHBondContact OE1-SG 3.4Å; G163-C183 PolarHBondContact O-N 2.89Å
184L96.9Very high94Very high117 Ų11763.5 Ų63.561%0.61332%0.318SS*.PPolyproline II helixtrans-54.8140.6170.5-67175.9000110.3H186L184-H186 PolarHBondContact O-N 2.89Å
185P96.5Very high93.9Very high19 Ų1957.7 Ų57.712%0.12328%0.283CS..  trans-77.545.4-17434.3-38.2000112.8F161 L205 D207F161-P185 HydrophobicContact CE2-CB 4.2Å; P185-L205 HydrophobicContact CB-CB 4.15Å; P185-L205 VanDerWaalsContact CG-O 3.29Å; P185-L205 WeakPolarHBondContact CG-O 3.16Å; P185-D207 WeakPolarHBondContact CB-O 3.31Å
186H97.6Very high93.9Very high41 Ų4152 Ų5219%0.1926%0.262CS..EExtended strand (participates in β ladder)trans-82.5144.7173.9-60.6175.9000110.2L184 F188 Y200L184-H186 PolarHBondContact O-N 2.89Å; H186-F188 HydrophobicContact CB-CD2 4.41Å; H186-F188 HydrophobicContact CB-CE2 3.75Å; H186-F188 HydrophobicContact CB-CZ 4.07Å; H186-Y200 WeakPolarHBondContact CA-O 3.31Å
187V98.3Very high94.2Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-96.9126.9169.81780000107.9V159 F161 S199 Y200 L202 L205 I241 V252V159-V187 HydrophobicContact CG1-CG1 3.54Å; F161-V187 HydrophobicContact CD2-CG2 3.93Å; V187-S199 CarbonylContact O-C 3.59Å; V187-Y200 PolarHBondContact N-O 2.89Å; V187-Y200 PolarHBondContact O-N 2.93Å; V187-L202 HydrophobicContact CB-CD1 4.3Å; V187-L202 HydrophobicContact CG2-CD1 3.65Å; V187-L202 HydrophobicContact CG2-CG 4.39Å; V187-L205 HydrophobicContact CG2-CD1 3.75Å; V187-I241 HydrophobicContact CG2-CD1 3.95Å; V187-V252 HydrophobicContact CG1-CG1 4.45Å
188F98.4Very high94.6Very high13 Ų1342.6 Ų42.66%0.05723%0.231CC..EExtended strand (participates in β ladder)trans-105.3126.2177.9-64.5-97.8000109.2D137 P139 V159 L160 H186 T198D137-F188 WeakPolarHBondContact O-CD1 3.44Å; D137-F188 VanDerWaalsContact O-CE1 3.31Å; D137-F188 WeakPolarHBondContact O-CE1 3.22Å; P139-F188 HydrophobicContact CB-CD1 3.99Å; P139-F188 HydrophobicContact CB-CD2 4.1Å; P139-F188 HydrophobicContact CB-CE1 3.9Å; P139-F188 HydrophobicContact CB-CE2 4.03Å; P139-F188 HydrophobicContact CB-CG 4.08Å; P139-F188 HydrophobicContact CB-CZ 3.93Å; P139-F188 HydrophobicContact CG-CD1 4.4Å; P139-F188 HydrophobicContact CG-CG 4.49Å; V159-F188 CarbonylContact C-O 3.49Å; V159-F188 WeakPolarHBondContact CA-O 3.12Å; L160-F188 HydrophobicContact CB-CB 4.17Å; L160-F188 HydrophobicContact CD2-CB 4.27Å; L160-F188 HydrophobicContact CD2-CD2 3.68Å; L160-F188 HydrophobicContact CD2-CE2 4.4Å; L160-F188 HydrophobicContact CD2-CG 4.23Å; L160-F188 PolarHBondContact N-O 2.86Å; L160-F188 PolarHBondContact O-N 3.02Å; H186-F188 HydrophobicContact CB-CD2 4.41Å; H186-F188 HydrophobicContact CB-CE2 3.75Å; H186-F188 HydrophobicContact CB-CZ 4.07Å; F188-T198 CarbonylContact C-O 3.5Å; F188-T198 WeakPolarHBondContact CA-O 3.34Å
189L97.9Very high94.9Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-91.3126.4165.7-62.7-170.5000108.7M157 G158 V159 A197 T198 Y200 V243 P250 V252M157-L189 HydrophobicContact CG-CB 3.92Å; M157-L189 HydrophobicContact CG-CD1 4.42Å; M157-L189 HydrophobicContact CG-CD2 4.08Å; M157-L189 HydrophobicContact CG-CG 4.36Å; M157-L189 HydrophobicContact SD-CB 4.01Å; G158-L189 CarbonylContact O-C 3.49Å; G158-L189 VanDerWaalsContact O-CA 3.31Å; G158-L189 WeakPolarHBondContact O-CA 3.33Å; V159-L189 HydrophobicContact CB-CD2 4.48Å; V159-L189 HydrophobicContact CG1-CD2 4.39Å; V159-L189 HydrophobicContact CG2-CD2 3.8Å; L189-A197 CarbonylContact O-C 3.56Å; L189-A197 VanDerWaalsContact O-CA 3.28Å; L189-A197 WeakPolarHBondContact O-CA 3.44Å; L189-T198 PolarHBondContact N-O 2.79Å; L189-T198 PolarHBondContact O-N 2.87Å; L189-Y200 HydrophobicContact CB-CE2 4.07Å; L189-Y200 HydrophobicContact CD1-CD2 4.23Å; L189-Y200 HydrophobicContact CD1-CE2 3.51Å; L189-Y200 HydrophobicContact CG-CD2 3.92Å; L189-Y200 HydrophobicContact CG-CE2 3.57Å; L189-V243 HydrophobicContact CD1-CG1 4.18Å; L189-V243 HydrophobicContact CD2-CG1 4.11Å; L189-V243 HydrophobicContact CD2-CG2 4.16Å; L189-P250 HydrophobicContact CD1-CB 3.45Å; L189-P250 VanDerWaalsContact CD1-CB 3.45Å; L189-P250 HydrophobicContact CD1-CG 4Å; L189-V252 HydrophobicContact CD1-CG2 3.69Å; L189-V252 HydrophobicContact CD2-CG2 4.18Å; L189-V252 HydrophobicContact CG-CG2 4.08Å
190V96.6Very high95Very high0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-122.9114.8-176.9-177.60000109.4L134 M157 G158 F192 A197L134-V190 HydrophobicContact CD2-CG1 3.58Å; M157-V190 VanDerWaalsContact SD-O 3.33Å; G158-V190 WeakPolarHBondContact CA-O 3.15Å; G158-V190 PolarHBondContact N-O 2.81Å; G158-V190 PolarHBondContact O-N 3.28Å; V190-F192 HydrophobicContact CB-CE1 4.22Å; V190-F192 HydrophobicContact CG1-CD1 3.95Å; V190-F192 HydrophobicContact CG1-CE1 3.75Å; V190-A197 HydrophobicContact CG2-CB 4.44Å
191D93.1Very high95.1Very high36 Ų3644.4 Ų44.419%0.19324%0.235CC..  trans-85.1115.6172.7-170.1-41.7000109.2M157 E193 F194 G195 C196M157-D191 HydrophobicContact CE-CB 4.07Å; M157-D191 HydrophobicContact SD-CB 4.06Å; M157-D191 PolarHBondContact SD-N 3.37Å; D191-E193 WeakPolarHBondContact OD1-CA 3.34Å; D191-E193 VanDerWaalsContact OD1-CB 3.32Å; D191-E193 WeakPolarHBondContact OD1-CB 3.39Å; D191-E193 PolarHBondContact OD1-N 3.13Å; D191-F194 PolarHBondContact OD1-N 3.37Å; D191-F194 WeakPolarHBondContact OD2-CD2 3.38Å; D191-G195 CarbonylContact O-C 3.6Å; D191-G195 WeakPolarHBondContact O-CA 3.42Å; D191-G195 PolarHBondContact O-N 2.98Å; D191-C196 HydrophobicContact CB-CB 4.38Å; D191-C196 PolarHBondContact N-O 2.75Å; D191-C196 PolarHBondContact O-N 3.45Å
192F88.4Confident95.1Very high14 Ų1443.5 Ų43.56%0.06123%0.226CC..THydrogen-bonded Turntrans-79.9-17.1-177.8-56.3-54.6000113.9F85 I97 I112 K132 I147 V149 V190F85-F192 HydrophobicContact CD2-CD2 4.12Å; F85-F192 HydrophobicContact CD2-CE2 4.39Å; F85-F192 AromaticContact CE2-CD2 3.95Å; F85-F192 HydrophobicContact CE2-CD2 3.95Å; F85-F192 HydrophobicContact CZ-CD2 4.26Å; I97-F192 HydrophobicContact CD1-CD1 4.44Å; I97-F192 HydrophobicContact CD1-CD2 4.48Å; I97-F192 HydrophobicContact CD1-CE1 4.47Å; I97-F192 HydrophobicContact CD1-CE2 4.48Å; I97-F192 HydrophobicContact CD1-CG 4.45Å; I97-F192 HydrophobicContact CD1-CZ 4.47Å; I97-F192 HydrophobicContact CG1-CE1 4.48Å; I97-F192 HydrophobicContact CG1-CE2 4.22Å; I97-F192 HydrophobicContact CG1-CZ 4.1Å; I97-F192 HydrophobicContact CG2-CE1 4.03Å; I97-F192 HydrophobicContact CG2-CZ 4.12Å; I112-F192 HydrophobicContact CD1-CD1 3.95Å; I112-F192 HydrophobicContact CD1-CE1 3.45Å; I112-F192 VanDerWaalsContact CD1-CE1 3.45Å; K132-F192 PolarHBondContact NZ-O 3.21Å; K132-F192 VanDerWaalsContact NZ-O 3.15Å; I147-F192 HydrophobicContact CD1-CE1 4.31Å; I147-F192 HydrophobicContact CD1-CZ 4.13Å; V149-F192 HydrophobicContact CG2-CE2 3.97Å; V190-F192 HydrophobicContact CB-CE1 4.22Å; V190-F192 HydrophobicContact CG1-CD1 3.95Å; V190-F192 HydrophobicContact CG1-CE1 3.75Å
193E86.2Confident95Very high149 Ų14946.8 Ų46.870%0.69625%0.249SC*.THydrogen-bonded Turntrans-72.8-51.5176.3-170.9179172.200109.1D191D191-E193 WeakPolarHBondContact OD1-CA 3.34Å; D191-E193 VanDerWaalsContact OD1-CB 3.32Å; D191-E193 WeakPolarHBondContact OD1-CB 3.39Å; D191-E193 PolarHBondContact OD1-N 3.13Å
194F87.1Confident95Very high136 Ų13649.8 Ų49.860%0.59626%0.263SS*.THydrogen-bonded Turntrans-98.3-13.3-176-58.1-72.2000114.7D191 C196D191-F194 PolarHBondContact OD1-N 3.37Å; D191-F194 WeakPolarHBondContact OD2-CD2 3.38Å; F194-C196 VanDerWaalsContact C-N 3.29Å
195G89.6Confident94.9Very high5 Ų544.5 Ų44.55%0.05224%0.235CC..  trans73.817.4-17500000113.7L134 V135 D191L134-G195 CarbonylContact C-O 3.51Å; L134-G195 VanDerWaalsContact CA-O 3.28Å; L134-G195 WeakPolarHBondContact CA-O 3.37Å; V135-G195 PolarHBondContact N-O 2.76Å; D191-G195 CarbonylContact O-C 3.6Å; D191-G195 WeakPolarHBondContact O-CA 3.42Å; D191-G195 PolarHBondContact O-N 2.98Å
196C92.5Very high94.7Very high60 Ų6050.1 Ų50.141%0.40526%0.259SS..EExtended strand (participates in β ladder)trans-85.7125.2-176.1-65.90000111.3D191 F194D191-C196 HydrophobicContact CB-CB 4.38Å; D191-C196 PolarHBondContact N-O 2.75Å; D191-C196 PolarHBondContact O-N 3.45Å; F194-C196 VanDerWaalsContact C-N 3.29Å
197A96.6Very high94.4Very high4 Ų452 Ų523%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-106.1134.3173.700000111.1V135 D137 L189 V190V135-A197 PolarHBondContact O-N 3.25Å; D137-A197 PolarHBondContact N-O 3.38Å; D137-A197 WeakPolarHBondContact O-CB 3.38Å; L189-A197 CarbonylContact O-C 3.56Å; L189-A197 VanDerWaalsContact O-CA 3.28Å; L189-A197 WeakPolarHBondContact O-CA 3.44Å; V190-A197 HydrophobicContact CG2-CB 4.44Å
198T96.8Very high94.2Very high62 Ų6252.6 Ų52.638%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-129.6134.6171.615.20000110.7F188 L189F188-T198 CarbonylContact C-O 3.5Å; F188-T198 WeakPolarHBondContact CA-O 3.34Å; L189-T198 PolarHBondContact N-O 2.79Å; L189-T198 PolarHBondContact O-N 2.87Å
199S97.5Very high94.2Very high42 Ų4252.3 Ų52.329%0.29428%0.276SS..EExtended strand (participates in β ladder)trans-96.8142.1-178.568.10000112.3D137 V187D137-S199 WeakPolarHBondContact OD2-CB 3.24Å; D137-S199 PolarHBondContact OD2-N 2.85Å; D137-S199 PolarHBondContact OD2-OG 2.93Å; V187-S199 CarbonylContact O-C 3.59Å
200Y97.7Very high94.2Very high49 Ų4952.3 Ų52.319%0.19228%0.276CS..EExtended strand (participates in β ladder)trans-129127.8178.7-66-98.4000109.7H186 V187 L189 V252H186-Y200 WeakPolarHBondContact CA-O 3.31Å; V187-Y200 PolarHBondContact N-O 2.89Å; V187-Y200 PolarHBondContact O-N 2.93Å; L189-Y200 HydrophobicContact CB-CE2 4.07Å; L189-Y200 HydrophobicContact CD1-CD2 4.23Å; L189-Y200 HydrophobicContact CD1-CE2 3.51Å; L189-Y200 HydrophobicContact CG-CD2 3.92Å; L189-Y200 HydrophobicContact CG-CE2 3.57Å; Y200-V252 HydrophobicContact CD1-CB 4.12Å; Y200-V252 HydrophobicContact CD1-CG2 3.85Å; Y200-V252 HydrophobicContact CD2-CG2 4.01Å; Y200-V252 HydrophobicContact CE1-CG2 4Å; Y200-V252 HydrophobicContact CE2-CG2 4.19Å; Y200-V252 HydrophobicContact CG-CB 4.25Å; Y200-V252 HydrophobicContact CG-CG2 3.86Å
201I97.5Very high94.3Very high128 Ų12854 Ų5466%0.65628%0.283SS*.EExtended strand (participates in β ladder)trans-97.6118.2174.1-51.9-179.7000107.3
202L97.2Very high94.5Very high12 Ų1253.2 Ų53.26%0.06328%0.278CS..  trans-110.8125.9-177.6-56.5179.1000109.4V187 E204 L205 I241 V252 C254V187-L202 HydrophobicContact CB-CD1 4.3Å; V187-L202 HydrophobicContact CG2-CD1 3.65Å; V187-L202 HydrophobicContact CG2-CG 4.39Å; L202-E204 PolarHBondContact O-N 2.91Å; L202-E204 VanDerWaalsContact O-N 3.17Å; L202-L205 HydrophobicContact CB-CD1 4.17Å; L202-L205 HydrophobicContact CB-CG 4.35Å; L202-L205 HydrophobicContact CD1-CD1 4.06Å; L202-L205 PolarHBondContact O-N 3.47Å; L202-I241 HydrophobicContact CD1-CG2 4.48Å; L202-V252 HydrophobicContact CD1-CG1 3.77Å; L202-V252 HydrophobicContact CD2-CB 4.41Å; L202-V252 HydrophobicContact CD2-CG1 4.18Å; L202-C254 HydrophobicContact CB-CB 4.19Å; L202-C254 HydrophobicContact CD1-CB 3.73Å; L202-C254 HydrophobicContact CG-CB 4.5Å
203P96.1Very high95Very high93 Ų9352.9 Ų52.960%0.60428%0.277SS*.THydrogen-bonded Turntrans-66.2-18.1-174.227.5-35000113.5L205 Q206P203-L205 VanDerWaalsContact C-N 3.28Å; P203-Q206 PolarHBondContact O-NE2 2.81Å
204E96.9Very high95.5Very high66 Ų6646.8 Ų46.831%0.30825%0.251SS..THydrogen-bonded Turntrans-74.5-20.7174.7-60.176.7-166.100112.5L202 C254 V256L202-E204 PolarHBondContact O-N 2.91Å; L202-E204 VanDerWaalsContact O-N 3.17Å; E204-C254 HydrophobicContact CB-CB 4.03Å; E204-C254 HydrophobicContact CG-CB 4.17Å; E204-C254 WeakPolarHBondContact CG-O 3.48Å; E204-C254 WeakPolarHBondContact OE2-CB 3.43Å; E204-V256 HydrophobicContact CB-CG2 3.92Å; E204-V256 HydrophobicContact CG-CG2 4.19Å
205L95.6Very high96Very high6 Ų640.5 Ų40.53%0.03122%0.224CC..  trans-105.390.3-175.9-58.9175.6000109.6F161 P185 V187 L202 P203 Y239 I241F161-L205 HydrophobicContact CD2-CD1 4.22Å; F161-L205 HydrophobicContact CE2-CD1 3.66Å; F161-L205 HydrophobicContact CE2-CG 4.46Å; F161-L205 HydrophobicContact CZ-CD1 4.11Å; F161-L205 HydrophobicContact CZ-CD2 4.14Å; P185-L205 HydrophobicContact CB-CB 4.15Å; P185-L205 VanDerWaalsContact CG-O 3.29Å; P185-L205 WeakPolarHBondContact CG-O 3.16Å; V187-L205 HydrophobicContact CG2-CD1 3.75Å; L202-L205 HydrophobicContact CB-CD1 4.17Å; L202-L205 HydrophobicContact CB-CG 4.35Å; L202-L205 HydrophobicContact CD1-CD1 4.06Å; L202-L205 PolarHBondContact O-N 3.47Å; P203-L205 VanDerWaalsContact C-N 3.28Å; L205-Y239 HydrophobicContact CD2-CD1 3.61Å; L205-Y239 HydrophobicContact CD2-CD2 3.85Å; L205-Y239 HydrophobicContact CD2-CE1 3.71Å; L205-Y239 HydrophobicContact CD2-CE2 3.91Å; L205-Y239 HydrophobicContact CD2-CG 3.67Å; L205-I241 HydrophobicContact CD1-CD1 4.26Å
206Q90.9Very high96.2Very high136 Ų13641.8 Ų41.864%0.63623%0.234SC*.  trans-96.2-35.9-175.2-66-62-46.200113.6P203P203-Q206 PolarHBondContact O-NE2 2.81Å
207D91.9Very high96.2Very high82 Ų8240.5 Ų40.544%0.43922%0.222SC..SBendtrans-104.1141.7-177.4-67.2-48.3000111.4P185 N231P185-D207 WeakPolarHBondContact CB-O 3.31Å; D207-N231 PolarHBondContact OD1-ND2 3.18Å
208G94.9Very high96Very high11 Ų1145.1 Ų45.111%0.11325%0.246CC..  trans-60.7140.5167.600000111.2S228G208-S228 WeakPolarHBondContact O-CB 3.48Å; G208-S228 PolarHBondContact O-OG 3.03Å; G208-S228 VanDerWaalsContact O-OG 3.08Å
209L97.2Very high95.9Very high8 Ų843.2 Ų43.24%0.04223%0.233CC..  trans-136.6135-174.6-164.771000110.5F161 G162 G163 H212 I223 G225 P235F161-L209 HydrophobicContact CE1-CB 4.15Å; F161-L209 HydrophobicContact CE1-CD2 4.03Å; F161-L209 HydrophobicContact CZ-CB 4.35Å; G162-L209 CarbonylContact C-O 3.51Å; G162-L209 WeakPolarHBondContact CA-O 3.06Å; G163-L209 PolarHBondContact N-O 3.39Å; L209-H212 HydrophobicContact CD2-CB 3.72Å; L209-H212 HydrophobicContact CG-CB 4.15Å; L209-I223 HydrophobicContact CD2-CG2 3.91Å; L209-G225 WeakPolarHBondContact CD2-O 3.36Å; L209-P235 HydrophobicContact CD1-CG 3.94Å
210S97.9Very high95.8Very high0 Ų041.5 Ų41.50%022%0.221CC..BIsolated β-bridgetrans-136.4157.217651.80000112R164 D182 H212 G226 H227R164-S210 PolarHBondContact NE-OG 2.81Å; D182-S210 PolarHBondContact OD1-OG 3.46Å; S210-H212 PolarHBondContact O-N 2.91Å; S210-G226 CarbonylContact O-C 3.54Å; S210-G226 WeakPolarHBondContact O-CA 3.5Å; S210-H227 PolarHBondContact N-O 3.02Å; S210-H227 PolarHBondContact O-N 2.78Å; S210-H227 PolarHBondContact OG-O 3.46Å
211F98.3Very high95.8Very high36 Ų3639.3 Ų39.316%0.15821%0.213CC..SBendtrans54.332.4-177.8-51.7-78.2000113.7Y79 Y143 G144 S265Y79-F211 AromaticContact CD1-CE1 3.81Å; Y79-F211 HydrophobicContact CD1-CE1 3.81Å; Y79-F211 HydrophobicContact CE1-CE1 4.33Å; Y79-F211 HydrophobicContact CG-CE1 4.12Å; Y143-F211 HydrophobicContact CD2-CZ 4.11Å; Y143-F211 AromaticContact CE2-CZ 3.75Å; Y143-F211 HydrophobicContact CE2-CZ 3.75Å; G144-F211 PolarHBondContact O-N 2.79Å; F211-S265 WeakPolarHBondContact CB-OG 3.24Å; F211-S265 PolarHBondContact O-N 2.8Å
212H98.3Very high95.8Very high18 Ų1833.5 Ų33.58%0.08318%0.182CC..  trans-78.7162.2169.853.1-86.4000111S146 F161 L209 S210 I223S146-H212 WeakPolarHBondContact CB-NE2 3.45Å; S146-H212 PolarHBondContact OG-NE2 2.87Å; F161-H212 AromaticContact CD1-CE1 3.78Å; F161-H212 AromaticContact CD1-NE2 3.68Å; F161-H212 PolarHBondContact O-CE1 2.92Å; L209-H212 HydrophobicContact CD2-CB 3.72Å; L209-H212 HydrophobicContact CG-CB 4.15Å; S210-H212 PolarHBondContact O-N 2.91Å; H212-I223 HydrophobicContact CB-CG2 4.02Å
213V97.8Very high95.8Very high7 Ų733 Ų334%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-90.1139.8169.9175.10000108.6I215 I223 L224 A266 L268 I278V213-I215 HydrophobicContact CG1-CG1 4.2Å; V213-I223 WeakPolarHBondContact O-CA 3.44Å; V213-L224 HydrophobicContact CB-CB 4.39Å; V213-L224 PolarHBondContact N-O 2.98Å; V213-L224 PolarHBondContact O-N 2.89Å; V213-A266 HydrophobicContact CG2-CB 3.82Å; V213-L268 HydrophobicContact CG1-CB 3.97Å; V213-L268 HydrophobicContact CG1-CD1 3.91Å; V213-L268 HydrophobicContact CG1-CD2 4.04Å; V213-L268 HydrophobicContact CG1-CG 4.19Å; V213-I278 HydrophobicContact CB-CD1 4.42Å; V213-I278 HydrophobicContact CG1-CD1 4.07Å; V213-I278 HydrophobicContact CG2-CD1 4.3Å
214S97.7Very high95.9Very high21 Ų2128.6 Ų28.615%0.14715%0.151CC..EExtended strand (participates in β ladder)trans-128.3131.7175.664.60000110.8S146 N148 Y222 L268S146-S214 WeakPolarHBondContact CB-OG 3.27Å; N148-S214 WeakPolarHBondContact OD1-CB 3.38Å; N148-S214 PolarHBondContact OD1-OG 2.82Å; S214-Y222 CarbonylContact C-O 3.53Å; S214-Y222 VanDerWaalsContact CA-O 3.31Å; S214-Y222 WeakPolarHBondContact CA-O 3.16Å; S214-L268 WeakPolarHBondContact O-CD2 3.43Å
215I96.5Very high95.8Very high4 Ų425.5 Ų25.52%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-125.7121.7-178.3-47.3175.2000107.7V213 I221 Y222 L268 F276 I295 L297V213-I215 HydrophobicContact CG1-CG1 4.2Å; I215-I221 CarbonylContact O-C 3.5Å; I215-I221 VanDerWaalsContact O-CA 3.31Å; I215-I221 WeakPolarHBondContact O-CA 3.35Å; I215-Y222 PolarHBondContact N-O 3.3Å; I215-Y222 PolarHBondContact O-N 2.84Å; I215-L268 HydrophobicContact CD1-CD1 3.99Å; I215-L268 HydrophobicContact CG1-CD1 4.08Å; I215-L268 HydrophobicContact CG1-CD2 3.74Å; I215-F276 HydrophobicContact CG2-CD1 4.35Å; I215-F276 HydrophobicContact CG2-CD2 3.95Å; I215-F276 HydrophobicContact CG2-CE1 4.11Å; I215-F276 HydrophobicContact CG2-CE2 3.72Å; I215-F276 HydrophobicContact CG2-CG 4.27Å; I215-F276 HydrophobicContact CG2-CZ 3.8Å; I215-I295 HydrophobicContact CD1-CB 4.49Å; I215-I295 HydrophobicContact CD1-CD1 3.54Å; I215-I295 HydrophobicContact CD1-CG2 4.06Å; I215-L297 HydrophobicContact CG2-CD1 3.85Å
216A94.8Very high95.9Very high32 Ų3225.2 Ų25.226%0.26414%0.135SC..EExtended strand (participates in β ladder)trans-102.3133.617500000110.8N148 T220 I221N148-A216 HydrophobicContact CB-CB 3.7Å; A216-T220 WeakPolarHBondContact CA-O 3.31Å; A216-I221 HydrophobicContact CB-CG1 3.99Å
217K92.7Very high96.2Very high34 Ų3419 Ų1915%0.14811%0.106CC..EExtended strand (participates in β ladder)trans-138.6115.9170.2177.5168.6175.6151.80108.5D219 T220 D274 L297K217-D219 PolarHBondContact O-N 3.16Å; K217-D219 VanDerWaalsContact O-N 3.16Å; K217-T220 PolarHBondContact N-O 2.94Å; K217-T220 PolarHBondContact O-N 2.87Å; K217-T220 VanDerWaalsContact O-O 3.12Å; K217-D274 WeakPolarHBondContact CE-OD1 3.2Å; K217-D274 IonicContact NZ-OD1 3.9Å; K217-D274 PolarHBondContact NZ-OD1 3.47Å; K217-D274 IonicContact NZ-OD2 2.75Å; K217-D274 PolarHBondContact NZ-OD2 3.04Å; K217-D274 VanDerWaalsContact NZ-OD2 3.13Å; K217-L297 HydrophobicContact CB-CD1 3.84Å; K217-L297 HydrophobicContact CD-CB 3.69Å; K217-L297 HydrophobicContact CD-CD1 3.79Å; K217-L297 HydrophobicContact CD-CG 4.4Å; K217-L297 HydrophobicContact CG-CD1 4.43Å; K217-L297 PolarHBondContact NZ-O 3.13Å
218N91.8Very high96.5Very high101 Ų10115.3 Ų15.354%0.549%0.087SC..THydrogen-bonded Turntrans52.5-116.3-179.4-54.5-32.4000111.8V150 Y151 T220V150-N218 CarbonylContact C-O 3.57Å; V150-N218 VanDerWaalsContact CA-O 3.22Å; V150-N218 WeakPolarHBondContact CA-O 3.34Å; V150-N218 WeakPolarHBondContact CB-O 3.29Å; Y151-N218 PolarHBondContact N-O 3.12Å; Y151-N218 CarbonylContact O-C 3.46Å; Y151-N218 VanDerWaalsContact O-C 3.28Å; N218-T220 VanDerWaalsContact C-N 3.32Å
219D94.5Very high96.5Very high22 Ų2217.5 Ų17.512%0.11810%0.096CC..THydrogen-bonded Turntrans-88.85.2-177.471.6-20.2000113.5Y151 K217 R242 V243Y151-D219 WeakPolarHBondContact O-CA 3.17Å; Y151-D219 PolarHBondContact O-N 3.36Å; K217-D219 PolarHBondContact O-N 3.16Å; K217-D219 VanDerWaalsContact O-N 3.16Å; D219-R242 IonicContact OD2-CZ 2.71Å; D219-R242 IonicContact OD2-NE 3.17Å; D219-R242 PolarHBondContact OD2-NE 2.72Å; D219-R242 IonicContact OD2-NH2 2.72Å; D219-R242 PolarHBondContact OD2-NH2 2.9Å; D219-V243 PolarHBondContact O-N 2.8Å
220T95.8Very high96.2Very high6 Ų621.2 Ų21.24%0.03713%0.128CC..EExtended strand (participates in β ladder)trans-129.3138.5-166.6-61.30000111.8A216 K217 N218 Y222 R240 I241A216-T220 WeakPolarHBondContact CA-O 3.31Å; K217-T220 PolarHBondContact N-O 2.94Å; K217-T220 PolarHBondContact O-N 2.87Å; K217-T220 VanDerWaalsContact O-O 3.12Å; N218-T220 VanDerWaalsContact C-N 3.32Å; T220-Y222 HydrophobicContact CG2-CD2 4.33Å; T220-Y222 HydrophobicContact CG2-CE1 4.42Å; T220-Y222 HydrophobicContact CG2-CE2 3.77Å; T220-R240 HydrophobicContact CG2-CG 3.37Å; T220-I241 CarbonylContact C-O 3.52Å; T220-I241 WeakPolarHBondContact CA-O 3.45Å
221I96.9Very high95.8Very high3 Ų325.3 Ų25.32%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-117.9133.4172-67.9165.1000109.9N148 V150 V159 I215 A216 I223 R240 I241N148-I221 HydrophobicContact CB-CD1 3.98Å; N148-I221 HydrophobicContact CB-CG1 4.31Å; V150-I221 HydrophobicContact CG1-CD1 3.56Å; V150-I221 HydrophobicContact CG1-CG1 3.57Å; V159-I221 HydrophobicContact CB-CD1 3.26Å; V159-I221 HydrophobicContact CG1-CD1 3.62Å; V159-I221 HydrophobicContact CG2-CD1 3.52Å; I215-I221 CarbonylContact O-C 3.5Å; I215-I221 VanDerWaalsContact O-CA 3.31Å; I215-I221 WeakPolarHBondContact O-CA 3.35Å; A216-I221 HydrophobicContact CB-CG1 3.99Å; I221-I223 HydrophobicContact CG2-CD1 3.64Å; I221-I223 HydrophobicContact CG2-CG1 4.17Å; I221-R240 CarbonylContact O-C 3.6Å; I221-R240 WeakPolarHBondContact O-CA 3.47Å; I221-I241 PolarHBondContact N-O 2.6Å; I221-I241 PolarHBondContact O-N 3.27Å
222Y97.7Very high95.6Very high5 Ų528.5 Ų28.52%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-102.8124.1170.8-59-90.1000109S214 I215 T220 L238 Y239 R240 L257 L297 N300 I302S214-Y222 CarbonylContact C-O 3.53Å; S214-Y222 VanDerWaalsContact CA-O 3.31Å; S214-Y222 WeakPolarHBondContact CA-O 3.16Å; I215-Y222 PolarHBondContact N-O 3.3Å; I215-Y222 PolarHBondContact O-N 2.84Å; T220-Y222 HydrophobicContact CG2-CD2 4.33Å; T220-Y222 HydrophobicContact CG2-CE1 4.42Å; T220-Y222 HydrophobicContact CG2-CE2 3.77Å; Y222-L238 HydrophobicContact CD1-CD1 4.4Å; Y222-Y239 CarbonylContact C-O 3.56Å; Y222-Y239 VanDerWaalsContact CA-O 3.27Å; Y222-Y239 WeakPolarHBondContact CA-O 3.36Å; Y222-R240 HydrophobicContact CD1-CB 4.03Å; Y222-R240 HydrophobicContact CD1-CG 4.07Å; Y222-R240 HydrophobicContact CE1-CB 4.03Å; Y222-R240 HydrophobicContact CE1-CG 3.7Å; Y222-L257 HydrophobicContact CD1-CD1 4.35Å; Y222-L257 HydrophobicContact CE1-CD1 4.11Å; Y222-L297 HydrophobicContact CD2-CD1 4.4Å; Y222-L297 HydrophobicContact CD2-CD2 4.16Å; Y222-L297 HydrophobicContact CE2-CD1 4.28Å; Y222-L297 HydrophobicContact CE2-CD2 3.94Å; Y222-N300 PolarHBondContact OH-O 3.37Å; Y222-I302 HydrophobicContact CD1-CB 4.1Å; Y222-I302 HydrophobicContact CD1-CD1 3.85Å; Y222-I302 HydrophobicContact CD1-CG2 3.82Å; Y222-I302 HydrophobicContact CE1-CB 3.84Å; Y222-I302 HydrophobicContact CE1-CD1 4.46Å; Y222-I302 HydrophobicContact CE1-CG2 3.59Å; Y222-I302 HydrophobicContact CG-CD1 3.94Å
223I97.9Very high95.4Very high2 Ų232.3 Ų32.31%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-106.8124.7173.4-55.9-61.1000108.2F161 L209 H212 V213 I221 L238 Y239 I241F161-I223 HydrophobicContact CD1-CD1 4.23Å; F161-I223 HydrophobicContact CD1-CG1 4.14Å; F161-I223 HydrophobicContact CD1-CG2 4.19Å; F161-I223 HydrophobicContact CE1-CG2 4.06Å; L209-I223 HydrophobicContact CD2-CG2 3.91Å; H212-I223 HydrophobicContact CB-CG2 4.02Å; V213-I223 WeakPolarHBondContact O-CA 3.44Å; I221-I223 HydrophobicContact CG2-CD1 3.64Å; I221-I223 HydrophobicContact CG2-CG1 4.17Å; I223-L238 WeakPolarHBondContact O-CA 3.31Å; I223-Y239 HydrophobicContact CB-CD2 4.29Å; I223-Y239 HydrophobicContact CG2-CD2 4.31Å; I223-Y239 PolarHBondContact N-O 3.19Å; I223-Y239 PolarHBondContact O-N 2.96Å; I223-I241 HydrophobicContact CG1-CD1 4.05Å
224L97.1Very high95.4Very high1 Ų133.3 Ų33.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-128.3134.2-172.9-173.580.7000111.3V213 G226 L238 I261 I278 I295 I304V213-L224 HydrophobicContact CB-CB 4.39Å; V213-L224 PolarHBondContact N-O 2.98Å; V213-L224 PolarHBondContact O-N 2.89Å; L224-G226 PolarHBondContact O-N 2.98Å; L224-L238 HydrophobicContact CB-CD1 4.45Å; L224-L238 HydrophobicContact CD1-CB 4.1Å; L224-L238 HydrophobicContact CD1-CD1 3.82Å; L224-L238 HydrophobicContact CD1-CG 4.38Å; L224-I261 HydrophobicContact CD1-CG1 4.06Å; L224-I261 HydrophobicContact CD2-CD1 3.67Å; L224-I261 HydrophobicContact CD2-CG1 3.59Å; L224-I261 HydrophobicContact CG-CD1 4.42Å; L224-I261 HydrophobicContact CG-CG1 3.8Å; L224-I278 HydrophobicContact CD2-CD1 3.21Å; L224-I295 HydrophobicContact CD2-CD1 3.99Å; L224-I304 HydrophobicContact CD1-CD1 3.53Å; L224-I304 HydrophobicContact CD2-CD1 4.24Å
225G96.3Very high95.2Very high0 Ų033.5 Ų33.50%019%0.192CC..  trans67-129.4175.100000112L209 N237 I261 V263L209-G225 WeakPolarHBondContact CD2-O 3.36Å; G225-N237 PolarHBondContact N-O 3.42Å; G225-N237 VanDerWaalsContact N-O 3.16Å; G225-I261 WeakPolarHBondContact CA-O 3.09Å; G225-V263 CarbonylContact C-O 3.57Å; G225-V263 WeakPolarHBondContact CA-O 3.14Å
226G97.1Very high95.1Very high0 Ų035.9 Ų35.90%021%0.212CC..  trans89.8-178.9-173.400000113.6S210 L224 R234 V263S210-G226 CarbonylContact O-C 3.54Å; S210-G226 WeakPolarHBondContact O-CA 3.5Å; L224-G226 PolarHBondContact O-N 2.98Å; G226-R234 WeakPolarHBondContact O-CA 3.47Å; G226-V263 PolarHBondContact N-O 3.44Å
227H97.7Very high95Very high7 Ų737 Ų373%0.03221%0.213CC..BIsolated β-bridgetrans-131.7128.3177.7177.3-86.5000109.8R164 S210 N232 R234R164-H227 PolarHBondContact NH2-CE1 2.86Å; R164-H227 VanDerWaalsContact NH2-CE1 3.3Å; R164-H227 PolarHBondContact NH2-ND1 2.83Å; S210-H227 PolarHBondContact N-O 3.02Å; S210-H227 PolarHBondContact O-N 2.78Å; S210-H227 PolarHBondContact OG-O 3.46Å; H227-N232 PolarHBondContact NE2-OD1 2.83Å; H227-R234 HydrophobicContact CB-CG 4.18Å
228S96.9Very high95.2Very high4 Ų435.5 Ų35.53%0.02821%0.207CC..BIsolated β-bridgetrans-98.5114169.8-175.60000108.9D182 G208 N232 I233D182-S228 WeakPolarHBondContact OD2-CA 3.48Å; G208-S228 WeakPolarHBondContact O-CB 3.48Å; G208-S228 PolarHBondContact O-OG 3.03Å; G208-S228 VanDerWaalsContact O-OG 3.08Å; S228-N232 CarbonylContact O-C 3.58Å; S228-N232 WeakPolarHBondContact O-CA 3.35Å; S228-N232 PolarHBondContact O-N 2.88Å; S228-I233 PolarHBondContact N-O 2.89Å; S228-I233 PolarHBondContact O-N 2.78Å; S228-I233 VanDerWaalsContact O-N 3.08Å
229L95.4Very high95.4Very high57 Ų5731.5 Ų31.530%0.29818%0.184SC..THydrogen-bonded Turntrans-68.1-35.8177.5-172.360.7000112.7V180 D182 N231 N232V180-L229 HydrophobicContact CG2-CD2 3.94Å; V180-L229 VanDerWaalsContact O-CD2 3.23Å; V180-L229 WeakPolarHBondContact O-CD2 3.13Å; D182-L229 WeakPolarHBondContact OD2-CA 3.49Å; D182-L229 WeakPolarHBondContact OD2-CB 3.42Å; D182-L229 PolarHBondContact OD2-N 2.79Å; L229-N231 VanDerWaalsContact C-N 3.26Å; L229-N231 PolarHBondContact O-N 3.27Å; L229-N232 PolarHBondContact O-N 2.83Å
230A91.1Very high95.6Very high86 Ų8634 Ų3471%0.71119%0.192SC*.THydrogen-bonded Turntrans-58.1-42.3179.500000111.6
231N89.1Confident95.7Very high86 Ų8633.8 Ų33.846%0.4619%0.191SC..THydrogen-bonded Turntrans-100.3-10.2-179.9-59.9-41.5000112.9D207 L229 I233D207-N231 PolarHBondContact OD1-ND2 3.18Å; L229-N231 VanDerWaalsContact C-N 3.26Å; L229-N231 PolarHBondContact O-N 3.27Å; N231-I233 VanDerWaalsContact C-N 3.3Å; N231-I233 HydrophobicContact CB-CB 4.46Å; N231-I233 HydrophobicContact CB-CD1 3.94Å; N231-I233 HydrophobicContact CB-CG1 4.27Å; N231-I233 WeakPolarHBondContact O-CG1 3.18Å; N231-I233 PolarHBondContact O-N 2.92Å
232N94.2Very high95.7Very high102 Ų10240.4 Ų40.455%0.54522%0.215SC..THydrogen-bonded Turntrans53.543-172.5-163.842.4000113.2H227 S228 L229H227-N232 PolarHBondContact NE2-OD1 2.83Å; S228-N232 CarbonylContact O-C 3.58Å; S228-N232 WeakPolarHBondContact O-CA 3.35Å; S228-N232 PolarHBondContact O-N 2.88Å; L229-N232 PolarHBondContact O-N 2.83Å
233I94.9Very high95.6Very high99 Ų9940.1 Ų40.151%0.50822%0.215SC..BIsolated β-bridgetrans-124.2147.6-175.4-66.4166.4000109.6S228 N231 P235S228-I233 PolarHBondContact N-O 2.89Å; S228-I233 PolarHBondContact O-N 2.78Å; S228-I233 VanDerWaalsContact O-N 3.08Å; N231-I233 VanDerWaalsContact C-N 3.3Å; N231-I233 HydrophobicContact CB-CB 4.46Å; N231-I233 HydrophobicContact CB-CD1 3.94Å; N231-I233 HydrophobicContact CB-CG1 4.27Å; N231-I233 WeakPolarHBondContact O-CG1 3.18Å; N231-I233 PolarHBondContact O-N 2.92Å; I233-P235 VanDerWaalsContact O-CD 3.3Å; I233-P235 WeakPolarHBondContact O-CD 3.12Å
234R96.6Very high95.5Very high28 Ų2842.3 Ų42.311%0.10623%0.226CC..  trans-101.692.9167-63.5178.9178.571.5-2.3108.3G226 H227 S262 S264 Y282 Q283 E285G226-R234 WeakPolarHBondContact O-CA 3.47Å; H227-R234 HydrophobicContact CB-CG 4.18Å; R234-S262 WeakPolarHBondContact CB-OG 3.28Å; R234-S262 WeakPolarHBondContact O-CB 3.48Å; R234-S262 PolarHBondContact O-OG 2.93Å; R234-S264 PolarHBondContact NE-OG 3.09Å; R234-Y282 WeakPolarHBondContact CD-O 3.45Å; R234-Y282 PolarHBondContact NE-O 3.47Å; R234-Q283 WeakPolarHBondContact CD-O 3.4Å; R234-E285 IonicContact CZ-OE2 2.85Å; R234-E285 IonicContact NH1-OE2 3.73Å; R234-E285 IonicContact NH2-OE2 3.51Å; R234-E285 PolarHBondContact NH2-OE2 3.37Å
235P94.3Very high95.4Very high25 Ų2542.5 Ų42.516%0.16223%0.227CC..  trans-67.8144.9-17628.8-35000110.5L209 I233 N237L209-P235 HydrophobicContact CD1-CG 3.94Å; I233-P235 VanDerWaalsContact O-CD 3.3Å; I233-P235 WeakPolarHBondContact O-CD 3.12Å; P235-N237 HydrophobicContact CB-CB 4.29Å; P235-N237 PolarHBondContact O-N 2.68Å; P235-N237 VanDerWaalsContact O-N 3.09Å
236A95.1Very high95.2Very high53 Ų5344.5 Ų44.544%0.43824%0.24SC..  trans-83.941.717200000111.2G260A236-G260 CarbonylContact O-C 3.53Å; A236-G260 VanDerWaalsContact O-CA 3.29Å; A236-G260 WeakPolarHBondContact O-CA 3.41Å
237N91.4Very high94.6Very high55 Ų5552.7 Ų52.729%0.29428%0.283SS..  trans-86.5144.8-174.6-66.6-6000110.3G225 P235 Y239G225-N237 PolarHBondContact N-O 3.42Å; G225-N237 VanDerWaalsContact N-O 3.16Å; P235-N237 HydrophobicContact CB-CB 4.29Å; P235-N237 PolarHBondContact O-N 2.68Å; P235-N237 VanDerWaalsContact O-N 3.09Å; N237-Y239 HydrophobicContact CB-CD2 4.31Å; N237-Y239 HydrophobicContact CB-CE1 4.46Å; N237-Y239 HydrophobicContact CB-CE2 3.65Å; N237-Y239 PolarHBondContact ND2-OH 3.49Å
238L96.9Very high94.1Very high3 Ų355.1 Ų55.12%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-128.6109.9170.4172.358.6000107.7Y222 I223 L224 L257 I302 I304Y222-L238 HydrophobicContact CD1-CD1 4.4Å; I223-L238 WeakPolarHBondContact O-CA 3.31Å; L224-L238 HydrophobicContact CB-CD1 4.45Å; L224-L238 HydrophobicContact CD1-CB 4.1Å; L224-L238 HydrophobicContact CD1-CD1 3.82Å; L224-L238 HydrophobicContact CD1-CG 4.38Å; L238-L257 HydrophobicContact CB-CB 4.39Å; L238-L257 HydrophobicContact CD2-CB 3.88Å; L238-L257 HydrophobicContact CD2-CD1 4.25Å; L238-L257 HydrophobicContact CG-CB 3.92Å; L238-L257 HydrophobicContact CG-CD1 4.32Å; L238-L257 PolarHBondContact O-N 2.86Å; L238-I302 HydrophobicContact CD1-CD1 3.97Å; L238-I302 HydrophobicContact CD2-CD1 4.32Å; L238-I302 HydrophobicContact CD2-CG2 3.77Å; L238-I304 HydrophobicContact CD2-CD1 4.23Å
239Y97.5Very high93.7Very high18 Ų1859.8 Ų59.87%0.07134%0.342CS..EExtended strand (participates in β ladder)trans-102.3138.9176.4-54.5-76.2000109.5L205 Y222 I223 N237 V256L205-Y239 HydrophobicContact CD2-CD1 3.61Å; L205-Y239 HydrophobicContact CD2-CD2 3.85Å; L205-Y239 HydrophobicContact CD2-CE1 3.71Å; L205-Y239 HydrophobicContact CD2-CE2 3.91Å; L205-Y239 HydrophobicContact CD2-CG 3.67Å; Y222-Y239 CarbonylContact C-O 3.56Å; Y222-Y239 VanDerWaalsContact CA-O 3.27Å; Y222-Y239 WeakPolarHBondContact CA-O 3.36Å; I223-Y239 HydrophobicContact CB-CD2 4.29Å; I223-Y239 HydrophobicContact CG2-CD2 4.31Å; I223-Y239 PolarHBondContact N-O 3.19Å; I223-Y239 PolarHBondContact O-N 2.96Å; N237-Y239 HydrophobicContact CB-CD2 4.31Å; N237-Y239 HydrophobicContact CB-CE1 4.46Å; N237-Y239 HydrophobicContact CB-CE2 3.65Å; N237-Y239 PolarHBondContact ND2-OH 3.49Å; Y239-V256 HydrophobicContact CD1-CG1 4.5Å; Y239-V256 HydrophobicContact CD1-CG2 3.94Å; Y239-V256 HydrophobicContact CE1-CG1 4.43Å; Y239-V256 HydrophobicContact CE1-CG2 3.92Å
240R97.4Very high93.7Very high74 Ų7458.9 Ų58.928%0.27934%0.34SS..EExtended strand (participates in β ladder)trans-114.3112.7169.5179.1-172.664.2-176.4-2.3108.3T220 I221 Y222 C254 T255 L257T220-R240 HydrophobicContact CG2-CG 3.37Å; I221-R240 CarbonylContact O-C 3.6Å; I221-R240 WeakPolarHBondContact O-CA 3.47Å; Y222-R240 HydrophobicContact CD1-CB 4.03Å; Y222-R240 HydrophobicContact CD1-CG 4.07Å; Y222-R240 HydrophobicContact CE1-CB 4.03Å; Y222-R240 HydrophobicContact CE1-CG 3.7Å; R240-C254 CarbonylContact O-C 3.49Å; R240-C254 WeakPolarHBondContact O-CA 3.49Å; R240-T255 PolarHBondContact N-O 2.91Å; R240-T255 PolarHBondContact NE-OG1 3.06Å; R240-T255 PolarHBondContact NH2-OG1 3.26Å; R240-T255 PolarHBondContact O-N 2.98Å; R240-T255 PolarHBondContact O-OG1 3.14Å; R240-L257 HydrophobicContact CB-CD1 3.79Å; R240-L257 HydrophobicContact CB-CG 4.14Å
241I97.7Very high93.9Very high1 Ų157.3 Ų57.31%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-102.3118.6177.1-58.8168.8000107.6V187 L202 L205 T220 I221 I223 V243 V252 N253 C254V187-I241 HydrophobicContact CG2-CD1 3.95Å; L202-I241 HydrophobicContact CD1-CG2 4.48Å; L205-I241 HydrophobicContact CD1-CD1 4.26Å; T220-I241 CarbonylContact C-O 3.52Å; T220-I241 WeakPolarHBondContact CA-O 3.45Å; I221-I241 PolarHBondContact N-O 2.6Å; I221-I241 PolarHBondContact O-N 3.27Å; I223-I241 HydrophobicContact CG1-CD1 4.05Å; I241-V243 HydrophobicContact CG2-CG2 4.41Å; I241-V252 HydrophobicContact CG2-CG1 3.68Å; I241-N253 CarbonylContact C-O 3.57Å; I241-N253 WeakPolarHBondContact CA-O 3.2Å; I241-C254 HydrophobicContact CG1-CB 4.34Å
242R96.9Very high94.2Very high142 Ų14254.3 Ų54.354%0.53631%0.312SS..EExtended strand (participates in β ladder)trans-107.6134.8176.9-171.8176.2-176.5-172.30.6109.9D219 V252 N253D219-R242 IonicContact OD2-CZ 2.71Å; D219-R242 IonicContact OD2-NE 3.17Å; D219-R242 PolarHBondContact OD2-NE 2.72Å; D219-R242 IonicContact OD2-NH2 2.72Å; D219-R242 PolarHBondContact OD2-NH2 2.9Å; R242-V252 WeakPolarHBondContact O-CA 3.41Å; R242-N253 PolarHBondContact N-O 3.14Å; R242-N253 PolarHBondContact O-N 3.22Å
243V97.2Very high94.4Very high0 Ų054 Ų540%031%0.31CS..EExtended strand (participates in β ladder)trans-120.9115.4-177.9-1770000109.6V150 S152 V159 L189 D219 I241 L245 A251 V252V150-V243 HydrophobicContact CG2-CB 3.93Å; V150-V243 HydrophobicContact CG2-CG1 4.11Å; V150-V243 HydrophobicContact CG2-CG2 4.23Å; S152-V243 WeakPolarHBondContact CB-O 3.45Å; S152-V243 PolarHBondContact OG-O 3.28Å; V159-V243 HydrophobicContact CG2-CG2 4.06Å; L189-V243 HydrophobicContact CD1-CG1 4.18Å; L189-V243 HydrophobicContact CD2-CG1 4.11Å; L189-V243 HydrophobicContact CD2-CG2 4.16Å; D219-V243 PolarHBondContact O-N 2.8Å; I241-V243 HydrophobicContact CG2-CG2 4.41Å; V243-L245 HydrophobicContact CG1-CD2 3.87Å; V243-L245 HydrophobicContact CG1-CG 4.22Å; V243-A251 WeakPolarHBondContact CA-O 3.21Å; V243-V252 HydrophobicContact CG2-CG1 4.45Å; V243-V252 HydrophobicContact CG2-CG2 4.46Å
244D95.7Very high94.5Very high47 Ų4749.3 Ų49.325%0.25129%0.286SS..EExtended strand (participates in β ladder)trans-100.5133170.6-167.721.7000110.2S152 R153 P246 P250 A251S152-D244 PolarHBondContact OG-OD1 3.49Å; R153-D244 IonicContact CZ-OD1 2.68Å; R153-D244 IonicContact CZ-OD2 3.14Å; R153-D244 IonicContact NE-OD1 3.13Å; R153-D244 PolarHBondContact NE-OD1 3.2Å; R153-D244 IonicContact NE-OD2 3.89Å; R153-D244 IonicContact NH2-OD1 2.7Å; R153-D244 PolarHBondContact NH2-OD1 2.8Å; R153-D244 IonicContact NH2-OD2 3.37Å; R153-D244 PolarHBondContact NH2-OD2 3.37Å; D244-P246 WeakPolarHBondContact O-CD 3.46Å; D244-P250 WeakPolarHBondContact O-CA 3.37Å; D244-A251 HydrophobicContact CB-CB 4.37Å; D244-A251 PolarHBondContact N-O 3.43Å; D244-A251 PolarHBondContact O-N 2.91Å
245L94.1Very high94.5Very high6 Ų650 Ų503%0.03129%0.293CS..  trans-115.973.4-176.8-60.5175.1000110.7S152 K155 M157 V243 P250S152-L245 PolarHBondContact OG-N 2.7Å; K155-L245 HydrophobicContact CB-CB 4.32Å; K155-L245 HydrophobicContact CB-CD1 3.8Å; K155-L245 HydrophobicContact CD-CB 4.23Å; M157-L245 HydrophobicContact CB-CD1 3.77Å; M157-L245 HydrophobicContact CB-CD2 4.22Å; M157-L245 HydrophobicContact CE-CD2 4.2Å; M157-L245 HydrophobicContact CG-CD2 4.38Å; V243-L245 HydrophobicContact CG1-CD2 3.87Å; V243-L245 HydrophobicContact CG1-CG 4.22Å; L245-P250 HydrophobicContact CD2-CB 3.92Å; L245-P250 HydrophobicContact CD2-CG 4.06Å
246P92.4Very high94.6Very high41 Ų4152.7 Ų52.727%0.26631%0.309SS..  trans-67.2-176.1174.931.4-36.2000111.8K155 D244 G248 S249K155-P246 PolarHBondContact NZ-O 2.92Å; K155-P246 VanDerWaalsContact NZ-O 3.1Å; D244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-G248 PolarHBondContact O-N 2.88Å; P246-S249 VanDerWaalsContact CG-O 3.24Å; P246-S249 WeakPolarHBondContact CG-O 3.41Å
247L85.1Confident94.7Very high173 Ų17352 Ų5291%0.90630%0.298SS*.SBendtrans-68.6-22.6171.2-69.9174.5000112.7
248G86.8Confident94.8Very high57 Ų5755.1 Ų55.159%0.58832%0.321SS*.SBendtrans-91.2-146.6174.400000112.7P246P246-G248 PolarHBondContact O-N 2.88Å
249S88.2Confident94.5Very high103 Ų10357.9 Ų57.972%0.7235%0.35SS*.SBendtrans-66.2139.6179-54.10000112.2P246P246-S249 VanDerWaalsContact CG-O 3.24Å; P246-S249 WeakPolarHBondContact CG-O 3.41Å
250P94.4Very high94.3Very high37 Ų3757.8 Ų57.824%0.2436%0.355CS..  trans-55.9146.1170.9-25.334.9000112.3L189 D244 L245L189-P250 HydrophobicContact CD1-CB 3.45Å; L189-P250 VanDerWaalsContact CD1-CB 3.45Å; L189-P250 HydrophobicContact CD1-CG 4Å; D244-P250 WeakPolarHBondContact O-CA 3.37Å; L245-P250 HydrophobicContact CD2-CB 3.92Å; L245-P250 HydrophobicContact CD2-CG 4.06Å
251A95.1Very high94.2Very high54 Ų5455.2 Ų55.245%0.44635%0.346SS..EExtended strand (participates in β ladder)trans-113.8126.3171.900000109.6V243 D244V243-A251 WeakPolarHBondContact CA-O 3.21Å; D244-A251 HydrophobicContact CB-CB 4.37Å; D244-A251 PolarHBondContact N-O 3.43Å; D244-A251 PolarHBondContact O-N 2.91Å
252V97.4Very high94.2Very high23 Ų2356.6 Ų56.614%0.13936%0.356CS..EExtended strand (participates in β ladder)trans-117.3128.7178.3-172.60000108.7V187 L189 Y200 L202 I241 R242 V243V187-V252 HydrophobicContact CG1-CG1 4.45Å; L189-V252 HydrophobicContact CD1-CG2 3.69Å; L189-V252 HydrophobicContact CD2-CG2 4.18Å; L189-V252 HydrophobicContact CG-CG2 4.08Å; Y200-V252 HydrophobicContact CD1-CB 4.12Å; Y200-V252 HydrophobicContact CD1-CG2 3.85Å; Y200-V252 HydrophobicContact CD2-CG2 4.01Å; Y200-V252 HydrophobicContact CE1-CG2 4Å; Y200-V252 HydrophobicContact CE2-CG2 4.19Å; Y200-V252 HydrophobicContact CG-CB 4.25Å; Y200-V252 HydrophobicContact CG-CG2 3.86Å; L202-V252 HydrophobicContact CD1-CG1 3.77Å; L202-V252 HydrophobicContact CD2-CB 4.41Å; L202-V252 HydrophobicContact CD2-CG1 4.18Å; I241-V252 HydrophobicContact CG2-CG1 3.68Å; R242-V252 WeakPolarHBondContact O-CA 3.41Å; V243-V252 HydrophobicContact CG2-CG1 4.45Å; V243-V252 HydrophobicContact CG2-CG2 4.46Å
253N96.8Very high94.2Very high94 Ų9449.9 Ų49.950%0.50333%0.331SS..EExtended strand (participates in β ladder)trans-130.5134178-172.7-4.3000109.8I241 R242I241-N253 CarbonylContact C-O 3.57Å; I241-N253 WeakPolarHBondContact CA-O 3.2Å; R242-N253 PolarHBondContact N-O 3.14Å; R242-N253 PolarHBondContact O-N 3.22Å
254C97.7Very high94.2Very high1 Ų150.1 Ų50.11%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-110.1137.9173.9-175.10000110.2L202 E204 R240 I241L202-C254 HydrophobicContact CB-CB 4.19Å; L202-C254 HydrophobicContact CD1-CB 3.73Å; L202-C254 HydrophobicContact CG-CB 4.5Å; E204-C254 HydrophobicContact CB-CB 4.03Å; E204-C254 HydrophobicContact CG-CB 4.17Å; E204-C254 WeakPolarHBondContact CG-O 3.48Å; E204-C254 WeakPolarHBondContact OE2-CB 3.43Å; R240-C254 CarbonylContact O-C 3.49Å; R240-C254 WeakPolarHBondContact O-CA 3.49Å; I241-C254 HydrophobicContact CG1-CB 4.34Å
255T96.9Very high94.3Very high42 Ų4250.3 Ų50.326%0.25834%0.338SS..EExtended strand (participates in β ladder)trans-128.6130.4170.355.50000109.2R240R240-T255 PolarHBondContact N-O 2.91Å; R240-T255 PolarHBondContact NE-OG1 3.06Å; R240-T255 PolarHBondContact NH2-OG1 3.26Å; R240-T255 PolarHBondContact O-N 2.98Å; R240-T255 PolarHBondContact O-OG1 3.14Å
256V96.9Very high94.5Very high83 Ų8350.9 Ų50.950%0.50334%0.344SS..EExtended strand (participates in β ladder)trans-79.6124.1172.8-169.30000108.8E204 Y239E204-V256 HydrophobicContact CB-CG2 3.92Å; E204-V256 HydrophobicContact CG-CG2 4.19Å; Y239-V256 HydrophobicContact CD1-CG1 4.5Å; Y239-V256 HydrophobicContact CD1-CG2 3.94Å; Y239-V256 HydrophobicContact CE1-CG1 4.43Å; Y239-V256 HydrophobicContact CE1-CG2 3.92Å
257L95.8Very high94.7Very high38 Ų3849.8 Ų49.820%0.19934%0.335CS..EExtended strand (participates in β ladder)trans-104.9147.3177.2-55.9179.8000110.2Y222 L238 R240 I302Y222-L257 HydrophobicContact CD1-CD1 4.35Å; Y222-L257 HydrophobicContact CE1-CD1 4.11Å; L238-L257 HydrophobicContact CB-CB 4.39Å; L238-L257 HydrophobicContact CD2-CB 3.88Å; L238-L257 HydrophobicContact CD2-CD1 4.25Å; L238-L257 HydrophobicContact CG-CB 3.92Å; L238-L257 HydrophobicContact CG-CD1 4.32Å; L238-L257 PolarHBondContact O-N 2.86Å; R240-L257 HydrophobicContact CB-CD1 3.79Å; R240-L257 HydrophobicContact CB-CG 4.14Å; L257-I302 HydrophobicContact CD1-CG2 3.64Å
258P93.9Very high95.3Very high120 Ų12043.4 Ų43.478%0.77930%0.302SS*.SBendtrans-72.9167.5170.833.2-35.6000111.2
259G90.9Very high95.7Very high61 Ų6140.7 Ų40.763%0.62927%0.274SS*.  trans82.317.3172.400000115.2
260G93.9Very high96Very high16 Ų1640 Ų4017%0.16526%0.259CS..  trans-65.4162.9169.800000112.7A236A236-G260 CarbonylContact O-C 3.53Å; A236-G260 VanDerWaalsContact O-CA 3.29Å; A236-G260 WeakPolarHBondContact O-CA 3.41Å
261I95Very high95.9Very high20 Ų2039.5 Ų39.510%0.10326%0.256CS..  trans-114.9139.7178.861.3175.2000110.4L224 G225 V263 I278 I304L224-I261 HydrophobicContact CD1-CG1 4.06Å; L224-I261 HydrophobicContact CD2-CD1 3.67Å; L224-I261 HydrophobicContact CD2-CG1 3.59Å; L224-I261 HydrophobicContact CG-CD1 4.42Å; L224-I261 HydrophobicContact CG-CG1 3.8Å; G225-I261 WeakPolarHBondContact CA-O 3.09Å; I261-V263 HydrophobicContact CD1-CG1 3.85Å; I261-V263 HydrophobicContact CG1-CG1 3.86Å; I261-V263 PolarHBondContact O-N 2.93Å; I261-I278 HydrophobicContact CD1-CD1 4.11Å; I261-I278 HydrophobicContact CD1-CG2 4.44Å; I261-I304 HydrophobicContact CG2-CG2 4.13Å
262S96.3Very high95.6Very high31 Ų3141.4 Ų41.422%0.21726%0.258CS..  trans-80.5100.4174177.90000109.3R234R234-S262 WeakPolarHBondContact CB-OG 3.28Å; R234-S262 WeakPolarHBondContact O-CB 3.48Å; R234-S262 PolarHBondContact O-OG 2.93Å
263V97.1Very high95.1Very high1 Ų148.8 Ų48.81%0.00629%0.288CS..  trans-154.8143.1178.770.50000110.9G225 G226 I261 A266 Y282 R289G225-V263 CarbonylContact C-O 3.57Å; G225-V263 WeakPolarHBondContact CA-O 3.14Å; G226-V263 PolarHBondContact N-O 3.44Å; I261-V263 HydrophobicContact CD1-CG1 3.85Å; I261-V263 HydrophobicContact CG1-CG1 3.86Å; I261-V263 PolarHBondContact O-N 2.93Å; V263-A266 HydrophobicContact CG1-CB 4.16Å; V263-A266 HydrophobicContact CG2-CB 3.76Å; V263-Y282 CarbonylContact C-O 3.56Å; V263-Y282 WeakPolarHBondContact CA-O 3.48Å; V263-R289 HydrophobicContact CG2-CB 4.19Å; V263-R289 VanDerWaalsContact CG2-CD 3.49Å; V263-R289 HydrophobicContact CG2-CG 4.46Å
264S97.8Very high94.9Very high5 Ų547 Ų474%0.03528%0.279CS..BIsolated β-bridgetrans-124154.2166.975.50000111.4R234 A266 G281 Y282R234-S264 PolarHBondContact NE-OG 3.09Å; S264-A266 PolarHBondContact O-N 2.96Å; S264-G281 CarbonylContact O-C 3.58Å; S264-G281 WeakPolarHBondContact O-CA 3.46Å; S264-Y282 PolarHBondContact N-O 3.31Å; S264-Y282 PolarHBondContact O-N 3.16Å
265S97.5Very high94.7Very high51 Ų5149.2 Ų49.236%0.35729%0.289SS..SBendtrans55.931.5177-43.30000113.1F211 G281F211-S265 WeakPolarHBondContact CB-OG 3.24Å; F211-S265 PolarHBondContact O-N 2.8Å; S265-G281 WeakPolarHBondContact O-CA 3.39Å
266A97.5Very high94.6Very high18 Ų1848.2 Ų48.215%0.14928%0.281CS..PPolyproline II helixtrans-75.4155.7174.700000110.3V213 V263 S264 I278V213-A266 HydrophobicContact CG2-CB 3.82Å; V263-A266 HydrophobicContact CG1-CB 4.16Å; V263-A266 HydrophobicContact CG2-CB 3.76Å; S264-A266 PolarHBondContact O-N 2.96Å; A266-I278 HydrophobicContact CB-CG2 3.55Å
267I98.1Very high94.7Very high17 Ų1744.3 Ų44.39%0.08726%0.257CS..EExtended strand (participates in β ladder)trans-103.2126.3179.5-57.1159.2000107.8I278 V279 N326 V332 L334I267-I278 WeakPolarHBondContact O-CA 3.48Å; I267-V279 PolarHBondContact N-O 3.32Å; I267-V279 PolarHBondContact O-N 3.05Å; I267-N326 HydrophobicContact CG2-CB 4.29Å; I267-V332 HydrophobicContact CB-CG1 4.23Å; I267-V332 HydrophobicContact CD1-CG1 3.76Å; I267-V332 HydrophobicContact CG2-CG1 3.79Å; I267-V332 HydrophobicContact CG2-CG2 4.11Å; I267-L334 HydrophobicContact CD1-CD2 3.42Å; I267-L334 VanDerWaalsContact CD1-CD2 3.42Å
268L97.3Very high94.7Very high40 Ų4042.5 Ų42.521%0.20925%0.248CC..EExtended strand (participates in β ladder)trans-100.6124.1177.2-177.677000109.2V213 S214 I215 F276 I278 N326V213-L268 HydrophobicContact CG1-CB 3.97Å; V213-L268 HydrophobicContact CG1-CD1 3.91Å; V213-L268 HydrophobicContact CG1-CD2 4.04Å; V213-L268 HydrophobicContact CG1-CG 4.19Å; S214-L268 WeakPolarHBondContact O-CD2 3.43Å; I215-L268 HydrophobicContact CD1-CD1 3.99Å; I215-L268 HydrophobicContact CG1-CD1 4.08Å; I215-L268 HydrophobicContact CG1-CD2 3.74Å; L268-F276 HydrophobicContact CD1-CB 3.68Å; L268-F276 HydrophobicContact CD1-CD1 4.36Å; L268-F276 HydrophobicContact CD1-CG 4.31Å; L268-F276 HydrophobicContact CD2-CD1 4.34Å; L268-F276 HydrophobicContact CG-CB 4.46Å; L268-F276 HydrophobicContact CG-CD1 4.34Å; L268-I278 HydrophobicContact CD1-CD1 4.48Å; L268-I278 HydrophobicContact CD1-CG1 3.81Å; L268-N326 VanDerWaalsContact O-CB 3.27Å; L268-N326 WeakPolarHBondContact O-CB 3.37Å; L268-N326 PolarHBondContact O-ND2 2.89Å
269T95.9Very high94.9Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-121.5147169.1-1690000110.5F276 V277 N326 G330 T331 V332 C355T269-F276 CarbonylContact O-C 3.59Å; T269-F276 VanDerWaalsContact O-CA 3.27Å; T269-F276 WeakPolarHBondContact O-CA 3.46Å; T269-V277 HydrophobicContact CG2-CB 4.03Å; T269-V277 PolarHBondContact N-O 2.83Å; T269-V277 PolarHBondContact O-N 3.19Å; T269-N326 VanDerWaalsContact CB-OD1 3.31Å; T269-N326 WeakPolarHBondContact CB-OD1 3.43Å; T269-N326 PolarHBondContact OG1-OD1 3.27Å; T269-G330 WeakPolarHBondContact OG1-CA 3.4Å; T269-G330 PolarHBondContact OG1-N 3.29Å; T269-T331 PolarHBondContact OG1-N 3.02Å; T269-V332 HydrophobicContact CG2-CG2 3.83Å; T269-C355 HydrophobicContact CG2-CB 4.32Å
270Q93.5Very high95.1Very high88 Ų8834 Ų3441%0.41118%0.182SC..EExtended strand (participates in β ladder)trans-95.4122.2176.2-174.5173.410.300108.2N272 K273 F276 G330Q270-N272 WeakPolarHBondContact CG-O 3.37Å; Q270-N272 PolarHBondContact NE2-O 2.92Å; Q270-K273 PolarHBondContact NE2-O 3.32Å; Q270-F276 HydrophobicContact CB-CD1 3.77Å; Q270-F276 HydrophobicContact CB-CE1 3.79Å; Q270-F276 HydrophobicContact CG-CD1 3.95Å; Q270-F276 HydrophobicContact CG-CE1 3.68Å; Q270-F276 HydrophobicContact CG-CZ 4.25Å; Q270-G330 WeakPolarHBondContact O-CA 3.32Å; Q270-G330 PolarHBondContact O-N 2.87Å
271T91.6Very high95.2Very high27 Ų2733.3 Ų33.317%0.16618%0.175CC..EExtended strand (participates in β ladder)trans-96.3-42177.847.30000111.1E275 V277 C355 A356T271-E275 PolarHBondContact N-O 2.79Å; T271-E275 PolarHBondContact OG1-O 2.86Å; T271-V277 HydrophobicContact CG2-CB 4.36Å; T271-V277 HydrophobicContact CG2-CG2 3.59Å; T271-C355 HydrophobicContact CG2-CB 3.84Å; T271-A356 HydrophobicContact CG2-CB 4.14Å
272N89.6Confident95.3Very high93 Ų9334 Ų3450%0.49718%0.176SC..EExtended strand (participates in β ladder)trans-132.2173.9175-72.7-44.6000111.1Q270 D274 E275Q270-N272 WeakPolarHBondContact CG-O 3.37Å; Q270-N272 PolarHBondContact NE2-O 2.92Å; N272-D274 PolarHBondContact O-N 3Å; N272-D274 VanDerWaalsContact O-N 3.07Å; N272-E275 HydrophobicContact CB-CB 4Å; N272-E275 HydrophobicContact CB-CG 4.19Å; N272-E275 PolarHBondContact N-O 2.78Å; N272-E275 PolarHBondContact ND2-OE2 2.81Å; N272-E275 PolarHBondContact O-N 2.95Å; N272-E275 VanDerWaalsContact O-O 3.08Å
273K87.8Confident95.2Very high178 Ų17836 Ų3677%0.77418%0.182SC*.THydrogen-bonded Turntrans-49.7-39.5-177.5-177.2179.1176.2-178.10113.6Q270Q270-K273 PolarHBondContact NE2-O 3.32Å
274D91.4Very high95Very high57 Ų5740.7 Ų40.731%0.30521%0.207SC..THydrogen-bonded Turntrans-123.713.9-177.2-72.1-40.8000113K217 N272 L297K217-D274 WeakPolarHBondContact CE-OD1 3.2Å; K217-D274 IonicContact NZ-OD1 3.9Å; K217-D274 PolarHBondContact NZ-OD1 3.47Å; K217-D274 IonicContact NZ-OD2 2.75Å; K217-D274 PolarHBondContact NZ-OD2 3.04Å; K217-D274 VanDerWaalsContact NZ-OD2 3.13Å; N272-D274 PolarHBondContact O-N 3Å; N272-D274 VanDerWaalsContact O-N 3.07Å; D274-L297 PolarHBondContact O-N 3.43Å
275E94.1Very high94.6Very high47 Ų4746 Ų4622%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-124.4134.7179.7-53.8-174.812900111.6T271 N272 I295 S296T271-E275 PolarHBondContact N-O 2.79Å; T271-E275 PolarHBondContact OG1-O 2.86Å; N272-E275 HydrophobicContact CB-CB 4Å; N272-E275 HydrophobicContact CB-CG 4.19Å; N272-E275 PolarHBondContact N-O 2.78Å; N272-E275 PolarHBondContact ND2-OE2 2.81Å; N272-E275 PolarHBondContact O-N 2.95Å; N272-E275 VanDerWaalsContact O-O 3.08Å; E275-I295 CarbonylContact C-O 3.57Å; E275-I295 VanDerWaalsContact CA-O 3.28Å; E275-I295 WeakPolarHBondContact CA-O 3.35Å; E275-S296 PolarHBondContact OE1-OG 2.88Å
276F95.8Very high94.2Very high21 Ų2149.8 Ų49.89%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-130.3148.9-178.3-55.1-96.6000109.9I215 L268 T269 Q270 I294 I295 L297I215-F276 HydrophobicContact CG2-CD1 4.35Å; I215-F276 HydrophobicContact CG2-CD2 3.95Å; I215-F276 HydrophobicContact CG2-CE1 4.11Å; I215-F276 HydrophobicContact CG2-CE2 3.72Å; I215-F276 HydrophobicContact CG2-CG 4.27Å; I215-F276 HydrophobicContact CG2-CZ 3.8Å; L268-F276 HydrophobicContact CD1-CB 3.68Å; L268-F276 HydrophobicContact CD1-CD1 4.36Å; L268-F276 HydrophobicContact CD1-CG 4.31Å; L268-F276 HydrophobicContact CD2-CD1 4.34Å; L268-F276 HydrophobicContact CG-CB 4.46Å; L268-F276 HydrophobicContact CG-CD1 4.34Å; T269-F276 CarbonylContact O-C 3.59Å; T269-F276 VanDerWaalsContact O-CA 3.27Å; T269-F276 WeakPolarHBondContact O-CA 3.46Å; Q270-F276 HydrophobicContact CB-CD1 3.77Å; Q270-F276 HydrophobicContact CB-CE1 3.79Å; Q270-F276 HydrophobicContact CG-CD1 3.95Å; Q270-F276 HydrophobicContact CG-CE1 3.68Å; Q270-F276 HydrophobicContact CG-CZ 4.25Å; F276-I294 CarbonylContact O-C 3.43Å; F276-I294 WeakPolarHBondContact O-CA 3.46Å; F276-I295 HydrophobicContact CB-CB 4.36Å; F276-I295 PolarHBondContact N-O 3.24Å; F276-I295 PolarHBondContact O-N 2.96Å; F276-L297 HydrophobicContact CD2-CD1 4.32Å; F276-L297 HydrophobicContact CD2-CG 4.5Å; F276-L297 HydrophobicContact CE2-CD1 3.74Å; F276-L297 HydrophobicContact CE2-CG 4.29Å
277V97Very high94Very high1 Ų153.6 Ų53.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-115.1130.1173.7179.40000109T269 T271 V279 N293 I294 M307 C355T269-V277 HydrophobicContact CG2-CB 4.03Å; T269-V277 PolarHBondContact N-O 2.83Å; T269-V277 PolarHBondContact O-N 3.19Å; T271-V277 HydrophobicContact CG2-CB 4.36Å; T271-V277 HydrophobicContact CG2-CG2 3.59Å; V277-V279 HydrophobicContact CG1-CG2 3.79Å; V277-N293 CarbonylContact C-O 3.46Å; V277-N293 WeakPolarHBondContact CA-O 3.29Å; V277-I294 HydrophobicContact CG2-CG1 4.37Å; V277-M307 HydrophobicContact CB-SD 4.42Å; V277-M307 HydrophobicContact CG1-SD 3.72Å; V277-M307 HydrophobicContact CG2-CE 4.36Å; V277-M307 HydrophobicContact CG2-SD 3.83Å; V277-C355 HydrophobicContact CB-CB 4.19Å; V277-C355 HydrophobicContact CG1-CB 4.22Å; V277-C355 HydrophobicContact CG2-CB 4.12Å
278I97.2Very high93.9Very high1 Ų153.8 Ų53.81%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-96.9120.4169.5-65.2-172.3000108.5V213 L224 I261 A266 I267 L268 C292 N293 I295V213-I278 HydrophobicContact CB-CD1 4.42Å; V213-I278 HydrophobicContact CG1-CD1 4.07Å; V213-I278 HydrophobicContact CG2-CD1 4.3Å; L224-I278 HydrophobicContact CD2-CD1 3.21Å; I261-I278 HydrophobicContact CD1-CD1 4.11Å; I261-I278 HydrophobicContact CD1-CG2 4.44Å; A266-I278 HydrophobicContact CB-CG2 3.55Å; I267-I278 WeakPolarHBondContact O-CA 3.48Å; L268-I278 HydrophobicContact CD1-CD1 4.48Å; L268-I278 HydrophobicContact CD1-CG1 3.81Å; I278-C292 VanDerWaalsContact O-CA 3.31Å; I278-C292 WeakPolarHBondContact O-CA 3.25Å; I278-N293 HydrophobicContact CB-CB 4.45Å; I278-N293 PolarHBondContact N-O 2.83Å; I278-N293 PolarHBondContact O-N 3.33Å; I278-I295 HydrophobicContact CD1-CD1 3.36Å; I278-I295 HydrophobicContact CD1-CG1 4.41Å; I278-I295 HydrophobicContact CG1-CD1 3.78Å
279V96.9Very high93.8Very high0 Ų052.9 Ų52.90%026%0.256CS..EExtended strand (participates in β ladder)trans-115.6131.2179.3-176.80000109.5I267 V277 W312 V332 L353I267-V279 PolarHBondContact N-O 3.32Å; I267-V279 PolarHBondContact O-N 3.05Å; V277-V279 HydrophobicContact CG1-CG2 3.79Å; V279-W312 HydrophobicContact CG1-CH2 3.95Å; V279-W312 HydrophobicContact CG1-CZ2 4.4Å; V279-V332 HydrophobicContact CB-CG2 4.47Å; V279-V332 HydrophobicContact CG2-CG2 4.12Å; V279-L353 HydrophobicContact CB-CD2 4.35Å; V279-L353 HydrophobicContact CG1-CD2 3.48Å; V279-L353 VanDerWaalsContact CG1-CD2 3.48Å; V279-L353 HydrophobicContact CG2-CD2 3.88Å
280G95.4Very high93.8Very high1 Ų155.2 Ų55.21%0.0127%0.267CS..  trans67.3-144.2167.400000115.4R289 W322G280-R289 WeakPolarHBondContact CA-O 3.25Å; G280-W322 VanDerWaalsContact CA-CH2 3.43Å
281G96.6Very high93.9Very high2 Ų253.6 Ų53.62%0.02126%0.261CS..  trans86.2-160.5-170.400000113.2S264 S265 R289 W322S264-G281 CarbonylContact O-C 3.58Å; S264-G281 WeakPolarHBondContact O-CA 3.46Å; S265-G281 WeakPolarHBondContact O-CA 3.39Å; G281-R289 PolarHBondContact O-N 3.11Å; G281-W322 WeakPolarHBondContact O-CZ2 3.48Å; G281-W322 PolarHBondContact O-NE1 2.82Å
282Y97.6Very high94.1Very high35 Ų3552.3 Ų52.314%0.13725%0.253CS..EExtended strand (participates in β ladder)trans-129.1131.7-172.8-58.5-88.8000110.5R234 V263 S264 K288 I321 W322R234-Y282 WeakPolarHBondContact CD-O 3.45Å; R234-Y282 PolarHBondContact NE-O 3.47Å; V263-Y282 CarbonylContact C-O 3.56Å; V263-Y282 WeakPolarHBondContact CA-O 3.48Å; S264-Y282 PolarHBondContact N-O 3.31Å; S264-Y282 PolarHBondContact O-N 3.16Å; Y282-K288 HydrophobicContact CD1-CG 4.19Å; Y282-K288 HydrophobicContact CE1-CG 4Å; Y282-I321 WeakPolarHBondContact OH-CA 3.5Å; Y282-W322 AromaticContact CZ-CD1 3.7Å; Y282-W322 PolarHBondContact OH-N 2.72Å; Y282-W322 PolarHBondContact OH-O 2.86Å
283Q93.9Very high94.4Very high72 Ų7248.1 Ų48.134%0.33623%0.231SC..EExtended strand (participates in β ladder)trans-90.6-36.8174.2-172.5174.422.100111R234 Q287R234-Q283 WeakPolarHBondContact CD-O 3.4Å; Q283-Q287 PolarHBondContact N-O 2.89Å
284L91.9Very high94.8Very high100 Ų10040.1 Ų40.152%0.52420%0.196SC..EExtended strand (participates in β ladder)trans-139171.2172.9-59.6172.1000108.8N286 Q287L284-N286 PolarHBondContact O-N 2.93Å; L284-Q287 HydrophobicContact CB-CB 4Å; L284-Q287 PolarHBondContact N-O 2.91Å; L284-Q287 PolarHBondContact O-N 2.86Å; L284-Q287 VanDerWaalsContact O-N 3.11Å; L284-Q287 VanDerWaalsContact O-O 3.05Å
285E89.6Confident95Very high118 Ų11837.4 Ų37.455%0.55118%0.182SC*.THydrogen-bonded Turntrans-59.5-35.3-177.2-167.158.3-159.800113.6R234R234-E285 IonicContact CZ-OE2 2.85Å; R234-E285 IonicContact NH1-OE2 3.73Å; R234-E285 IonicContact NH2-OE2 3.51Å; R234-E285 PolarHBondContact NH2-OE2 3.37Å
286N89.6Confident95.1Very high130 Ų13035.4 Ų35.470%0.69517%0.173SC*.THydrogen-bonded Turntrans-106.910.7179-62.7-44000112.8L284L284-N286 PolarHBondContact O-N 2.93Å
287Q93.4Very high94.9Very high98 Ų9834.5 Ų34.546%0.45817%0.169SC..EExtended strand (participates in β ladder)trans-134.6110.1-175.8-168.8178.35.600111.2Q283 L284Q283-Q287 PolarHBondContact N-O 2.89Å; L284-Q287 HydrophobicContact CB-CB 4Å; L284-Q287 PolarHBondContact N-O 2.91Å; L284-Q287 PolarHBondContact O-N 2.86Å; L284-Q287 VanDerWaalsContact O-N 3.11Å; L284-Q287 VanDerWaalsContact O-O 3.05Å
288K96.1Very high94.4Very high20 Ų2040.5 Ų40.59%0.08720%0.197CC..EExtended strand (participates in β ladder)trans-66.7147.9170.1-52.5-164.6-48.9-65.50110.4Y282 M290 I316 K317 S319 W322Y282-K288 HydrophobicContact CD1-CG 4.19Å; Y282-K288 HydrophobicContact CE1-CG 4Å; K288-M290 HydrophobicContact CB-SD 4.17Å; K288-M290 PolarHBondContact O-N 3.19Å; K288-I316 VanDerWaalsContact CE-O 3.25Å; K288-I316 WeakPolarHBondContact CE-O 3.31Å; K288-I316 PolarHBondContact NZ-O 3.1Å; K288-K317 PolarHBondContact NZ-O 2.74Å; K288-S319 WeakPolarHBondContact CE-O 3.22Å; K288-S319 PolarHBondContact NZ-O 3.31Å; K288-W322 HydrophobicContact CB-CZ2 3.88Å; K288-W322 HydrophobicContact CD-CB 4.45Å; K288-W322 HydrophobicContact CD-CD2 3.88Å; K288-W322 HydrophobicContact CD-CE3 4.49Å; K288-W322 HydrophobicContact CD-CG 3.86Å
289R95.8Very high93.5Very high21 Ų2147.5 Ų47.58%0.07924%0.235CC..  trans-84.5103.5172.7-178.8-178.6-176.570.58.2109.4V263 G280 G281 I291 N293 W322V263-R289 HydrophobicContact CG2-CB 4.19Å; V263-R289 VanDerWaalsContact CG2-CD 3.49Å; V263-R289 HydrophobicContact CG2-CG 4.46Å; G280-R289 WeakPolarHBondContact CA-O 3.25Å; G281-R289 PolarHBondContact O-N 3.11Å; R289-I291 PolarHBondContact NE-O 3Å; R289-N293 PolarHBondContact NE-OD1 2.89Å; R289-N293 PolarHBondContact NH2-OD1 3.04Å; R289-W322 WeakPolarHBondContact O-CH2 3.5Å; R289-W322 WeakPolarHBondContact O-CZ2 3.44Å
290M95.7Very high92.4Very high49 Ų4952.6 Ų52.624%0.24126%0.262CS..  trans-81.3-17.8-178.2-57.7-55.8-67.100113.7K288 T309 W312 I316 K317 W322K288-M290 HydrophobicContact CB-SD 4.17Å; K288-M290 PolarHBondContact O-N 3.19Å; M290-T309 WeakPolarHBondContact O-CG2 3.37Å; M290-W312 HydrophobicContact CE-CB 3.87Å; M290-W312 HydrophobicContact CE-CD2 4.15Å; M290-W312 HydrophobicContact CE-CG 3.51Å; M290-W312 PolarHBondContact O-NE1 2.65Å; M290-I316 HydrophobicContact CE-CG2 4.34Å; M290-K317 HydrophobicContact CE-CG 4.02Å; M290-W322 HydrophobicContact SD-CH2 4.05Å; M290-W322 HydrophobicContact SD-CZ3 4.4Å
291I94.8Very high92.1Very high54 Ų5460 Ų6028%0.27729%0.294SS..  trans-83.1137.4-178.6-63.3167000109.8R289 E306R289-I291 PolarHBondContact NE-O 3Å; I291-E306 VanDerWaalsContact CG2-CD 3.41Å; I291-E306 HydrophobicContact CG2-CG 3.47Å; I291-E306 VanDerWaalsContact CG2-CG 3.47Å; I291-E306 WeakPolarHBondContact CG2-OE1 3.42Å
292C95.8Very high92Very high0 Ų061.2 Ų61.20%030%0.3CS..  trans-101153.3171.1-58.70000110.8M6 I278 M307M6-C292 HydrophobicContact CE-CB 3.88Å; M6-C292 HydrophobicContact SD-CB 4.24Å; I278-C292 VanDerWaalsContact O-CA 3.31Å; I278-C292 WeakPolarHBondContact O-CA 3.25Å; C292-M307 HydrophobicContact CB-CB 4.47Å; C292-M307 PolarHBondContact O-N 3.48Å
293N96.2Very high91.8Very high6 Ų664.9 Ų64.93%0.03232%0.318CS..EExtended strand (participates in β ladder)trans-129.2137.8179.5-68.997.2000110.9V277 I278 R289 I304 R305V277-N293 CarbonylContact C-O 3.46Å; V277-N293 WeakPolarHBondContact CA-O 3.29Å; I278-N293 HydrophobicContact CB-CB 4.45Å; I278-N293 PolarHBondContact N-O 2.83Å; I278-N293 PolarHBondContact O-N 3.33Å; R289-N293 PolarHBondContact NE-OD1 2.89Å; R289-N293 PolarHBondContact NH2-OD1 3.04Å; N293-I304 HydrophobicContact CB-CG2 4.06Å; N293-R305 CarbonylContact C-O 3.54Å; N293-R305 WeakPolarHBondContact CA-O 3.21Å; N293-R305 WeakPolarHBondContact CB-O 3.38Å; N293-R305 PolarHBondContact ND2-O 3.41Å; N293-R305 VanDerWaalsContact ND2-O 3.13Å
294I95.8Very high91.9Very high9 Ų963.3 Ų63.35%0.04631%0.311CS..EExtended strand (participates in β ladder)trans-94.8138.7167-169165.9000109.1F276 V277 R305 M307F276-I294 CarbonylContact O-C 3.43Å; F276-I294 WeakPolarHBondContact O-CA 3.46Å; V277-I294 HydrophobicContact CG2-CG1 4.37Å; I294-R305 HydrophobicContact CG2-CB 3.79Å; I294-R305 PolarHBondContact N-O 2.7Å; I294-R305 PolarHBondContact O-N 3.34Å; I294-M307 HydrophobicContact CB-CG 3.79Å; I294-M307 HydrophobicContact CB-SD 3.77Å; I294-M307 HydrophobicContact CG2-CG 3.94Å
295I96.1Very high92.1Very high0 Ų063.4 Ų63.40%031%0.305CS..EExtended strand (participates in β ladder)trans-118.9114.4178.3-59.2-176.4000107.5I215 L224 E275 F276 I278 L297 I302 E303 I304I215-I295 HydrophobicContact CD1-CB 4.49Å; I215-I295 HydrophobicContact CD1-CD1 3.54Å; I215-I295 HydrophobicContact CD1-CG2 4.06Å; L224-I295 HydrophobicContact CD2-CD1 3.99Å; E275-I295 CarbonylContact C-O 3.57Å; E275-I295 VanDerWaalsContact CA-O 3.28Å; E275-I295 WeakPolarHBondContact CA-O 3.35Å; F276-I295 HydrophobicContact CB-CB 4.36Å; F276-I295 PolarHBondContact N-O 3.24Å; F276-I295 PolarHBondContact O-N 2.96Å; I278-I295 HydrophobicContact CD1-CD1 3.36Å; I278-I295 HydrophobicContact CD1-CG1 4.41Å; I278-I295 HydrophobicContact CG1-CD1 3.78Å; I295-L297 HydrophobicContact CG2-CD2 4.07Å; I295-L297 HydrophobicContact CG2-CG 4.43Å; I295-I302 HydrophobicContact CG2-CD1 3.8Å; I295-I302 HydrophobicContact CG2-CG1 3.72Å; I295-E303 VanDerWaalsContact CA-O 3.29Å; I295-E303 WeakPolarHBondContact CA-O 3.45Å; I295-I304 HydrophobicContact CG1-CG1 4.2Å; I295-I304 HydrophobicContact CG1-CG2 4.4Å
296S95.1Very high92.3Very high6 Ų663.8 Ų63.84%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-101.9126.9173.3-56.60000108.9E275 E303 R305E275-S296 PolarHBondContact OE1-OG 2.88Å; S296-E303 PolarHBondContact N-O 3.41Å; S296-E303 PolarHBondContact O-N 2.68Å; S296-R305 PolarHBondContact OG-NH2 2.87Å
297L93.3Very high92.5Very high1 Ų158.2 Ų58.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-106.388.3176.6-62.8-175.4000110I215 K217 Y222 D274 F276 I295 K301 I302I215-L297 HydrophobicContact CG2-CD1 3.85Å; K217-L297 HydrophobicContact CB-CD1 3.84Å; K217-L297 HydrophobicContact CD-CB 3.69Å; K217-L297 HydrophobicContact CD-CD1 3.79Å; K217-L297 HydrophobicContact CD-CG 4.4Å; K217-L297 HydrophobicContact CG-CD1 4.43Å; K217-L297 PolarHBondContact NZ-O 3.13Å; Y222-L297 HydrophobicContact CD2-CD1 4.4Å; Y222-L297 HydrophobicContact CD2-CD2 4.16Å; Y222-L297 HydrophobicContact CE2-CD1 4.28Å; Y222-L297 HydrophobicContact CE2-CD2 3.94Å; D274-L297 PolarHBondContact O-N 3.43Å; F276-L297 HydrophobicContact CD2-CD1 4.32Å; F276-L297 HydrophobicContact CD2-CG 4.5Å; F276-L297 HydrophobicContact CE2-CD1 3.74Å; F276-L297 HydrophobicContact CE2-CG 4.29Å; I295-L297 HydrophobicContact CG2-CD2 4.07Å; I295-L297 HydrophobicContact CG2-CG 4.43Å; L297-K301 WeakPolarHBondContact CA-O 3.33Å; L297-I302 HydrophobicContact CD2-CB 3.66Å; L297-I302 HydrophobicContact CD2-CD1 3.94Å; L297-I302 HydrophobicContact CD2-CG1 3.66Å
298E86.6Confident92.3Very high128 Ų12860 Ų6060%0.59829%0.285SS*.EExtended strand (participates in β ladder)trans-115.3140.2178.6-65.4-174.9177.200111.1N300 K301E298-N300 VanDerWaalsContact C-N 3.31Å; E298-N300 PolarHBondContact O-N 3.31Å; E298-N300 VanDerWaalsContact O-N 3.12Å; E298-K301 PolarHBondContact N-O 2.77Å; E298-K301 WeakPolarHBondContact O-CA 3.31Å; E298-K301 WeakPolarHBondContact O-CB 3.49Å; E298-K301 PolarHBondContact O-N 2.78Å
299D76.6Confident92Very high147 Ų14762 Ų6279%0.78630%0.299SS*.THydrogen-bonded Turntrans48.842.5172.5-63-27.4000115.9K301D299-K301 PolarHBondContact O-N 3.47Å; D299-K301 VanDerWaalsContact O-N 3.15Å
300N75.4Confident91.9Very high107 Ų10761.3 Ų61.357%0.57230%0.297SS*.THydrogen-bonded Turntrans61.213.8-174.9-57.6-44.4000115.1Y222 E298Y222-N300 PolarHBondContact OH-O 3.37Å; E298-N300 VanDerWaalsContact C-N 3.31Å; E298-N300 PolarHBondContact O-N 3.31Å; E298-N300 VanDerWaalsContact O-N 3.12Å
301K87.7Confident91.8Very high158 Ų15865.6 Ų65.669%0.68732%0.321SS*.EExtended strand (participates in β ladder)trans-103.4151.8170.8-62.4176.7-176.7170.90109.3L297 E298 D299L297-K301 WeakPolarHBondContact CA-O 3.33Å; E298-K301 PolarHBondContact N-O 2.77Å; E298-K301 WeakPolarHBondContact O-CA 3.31Å; E298-K301 WeakPolarHBondContact O-CB 3.49Å; E298-K301 PolarHBondContact O-N 2.78Å; D299-K301 PolarHBondContact O-N 3.47Å; D299-K301 VanDerWaalsContact O-N 3.15Å
302I94.4Very high91.8Very high27 Ų2763.1 Ų63.114%0.13831%0.308CS..EExtended strand (participates in β ladder)trans-116.9123.1173.6176.1167.6000106.6Y222 L238 L257 I295 L297 I304Y222-I302 HydrophobicContact CD1-CB 4.1Å; Y222-I302 HydrophobicContact CD1-CD1 3.85Å; Y222-I302 HydrophobicContact CD1-CG2 3.82Å; Y222-I302 HydrophobicContact CE1-CB 3.84Å; Y222-I302 HydrophobicContact CE1-CD1 4.46Å; Y222-I302 HydrophobicContact CE1-CG2 3.59Å; Y222-I302 HydrophobicContact CG-CD1 3.94Å; L238-I302 HydrophobicContact CD1-CD1 3.97Å; L238-I302 HydrophobicContact CD2-CD1 4.32Å; L238-I302 HydrophobicContact CD2-CG2 3.77Å; L257-I302 HydrophobicContact CD1-CG2 3.64Å; I295-I302 HydrophobicContact CG2-CD1 3.8Å; I295-I302 HydrophobicContact CG2-CG1 3.72Å; L297-I302 HydrophobicContact CD2-CB 3.66Å; L297-I302 HydrophobicContact CD2-CD1 3.94Å; L297-I302 HydrophobicContact CD2-CG1 3.66Å; I302-I304 HydrophobicContact CD1-CD1 4.46Å; I302-I304 HydrophobicContact CD1-CG1 4.47Å; I302-I304 HydrophobicContact CG1-CG1 4.18Å
303E94.9Very high91.8Very high112 Ų11265 Ų6552%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-113.9130173.7-168.6179.5170.600108.8I295 S296 R305I295-E303 VanDerWaalsContact CA-O 3.29Å; I295-E303 WeakPolarHBondContact CA-O 3.45Å; S296-E303 PolarHBondContact N-O 3.41Å; S296-E303 PolarHBondContact O-N 2.68Å; E303-R305 HydrophobicContact CG-CG 4.14Å; E303-R305 WeakPolarHBondContact OE1-CD 3.19Å; E303-R305 IonicContact OE1-NE 3.74Å
304I96.3Very high91.7Very high38 Ų3868.6 Ų68.620%0.19534%0.343CS..EExtended strand (participates in β ladder)trans-116115.6179.7-53.4-179.6000107.3L224 L238 I261 N293 I295 I302L224-I304 HydrophobicContact CD1-CD1 3.53Å; L224-I304 HydrophobicContact CD2-CD1 4.24Å; L238-I304 HydrophobicContact CD2-CD1 4.23Å; I261-I304 HydrophobicContact CG2-CG2 4.13Å; N293-I304 HydrophobicContact CB-CG2 4.06Å; I295-I304 HydrophobicContact CG1-CG1 4.2Å; I295-I304 HydrophobicContact CG1-CG2 4.4Å; I302-I304 HydrophobicContact CD1-CD1 4.46Å; I302-I304 HydrophobicContact CD1-CG1 4.47Å; I302-I304 HydrophobicContact CG1-CG1 4.18Å
305R95.1Very high91.6Very high102 Ų10272.4 Ų72.439%0.38536%0.364SS..EExtended strand (participates in β ladder)trans-116.3147.5178.9-66.1-178.4-73.2151.10.7110.2N293 I294 S296 E303N293-R305 CarbonylContact C-O 3.54Å; N293-R305 WeakPolarHBondContact CA-O 3.21Å; N293-R305 WeakPolarHBondContact CB-O 3.38Å; N293-R305 PolarHBondContact ND2-O 3.41Å; N293-R305 VanDerWaalsContact ND2-O 3.13Å; I294-R305 HydrophobicContact CG2-CB 3.79Å; I294-R305 PolarHBondContact N-O 2.7Å; I294-R305 PolarHBondContact O-N 3.34Å; S296-R305 PolarHBondContact OG-NH2 2.87Å; E303-R305 HydrophobicContact CG-CG 4.14Å; E303-R305 WeakPolarHBondContact OE1-CD 3.19Å; E303-R305 IonicContact OE1-NE 3.74Å
306E94.4Very high91.5Very high126 Ų12672.5 Ų72.559%0.58936%0.364SS*.EExtended strand (participates in β ladder)trans-78.9133.2172.2-178.3162.5158.500109.5I291I291-E306 VanDerWaalsContact CG2-CD 3.41Å; I291-E306 HydrophobicContact CG2-CG 3.47Å; I291-E306 VanDerWaalsContact CG2-CG 3.47Å; I291-E306 WeakPolarHBondContact CG2-OE1 3.42Å
307M92.6Very high91.5Very high13 Ų1377.2 Ų77.26%0.06438%0.384CS..PPolyproline II helixtrans-95164.1174.4-62.7-178.480.400110.3E4 M6 V277 C292 I294 T309E4-M307 HydrophobicContact CB-CE 4.41Å; M6-M307 HydrophobicContact CE-CB 3.83Å; M6-M307 HydrophobicContact CE-CE 4.14Å; M6-M307 HydrophobicContact CE-SD 4.17Å; M6-M307 HydrophobicContact SD-CE 4.4Å; M6-M307 HydrophobicContact SD-SD 4.47Å; V277-M307 HydrophobicContact CB-SD 4.42Å; V277-M307 HydrophobicContact CG1-SD 3.72Å; V277-M307 HydrophobicContact CG2-CE 4.36Å; V277-M307 HydrophobicContact CG2-SD 3.83Å; C292-M307 HydrophobicContact CB-CB 4.47Å; C292-M307 PolarHBondContact O-N 3.48Å; I294-M307 HydrophobicContact CB-CG 3.79Å; I294-M307 HydrophobicContact CB-SD 3.77Å; I294-M307 HydrophobicContact CG2-CG 3.94Å; M307-T309 PolarHBondContact O-N 2.97Å
308E88.9Confident91.4Very high137 Ų13785 Ų8564%0.6442%0.42SS*.PPolyproline II helixtrans-55.8134.5167-173.9167.4-178.800109.8M6M6-E308 WeakPolarHBondContact CE-O 3.34Å
309T90.8Very high91.8Very high61 Ų6179.7 Ų79.737%0.37440%0.397SS..PPolyproline II helixtrans-70.7129.3-178.1-67.20000109.3M290 M307M290-T309 WeakPolarHBondContact O-CG2 3.37Å; M307-T309 PolarHBondContact O-N 2.97Å
310P92.9Very high92.5Very high7 Ų779.7 Ų79.75%0.04539%0.39CS..PPolyproline II helixtrans-54.6150174.8-25.133.6000111.4M6 W312 L353M6-P310 HydrophobicContact CB-CG 4.22Å; M6-P310 HydrophobicContact CE-CG 3.72Å; M6-P310 HydrophobicContact SD-CG 3.77Å; P310-W312 HydrophobicContact CB-CD2 4.17Å; P310-W312 HydrophobicContact CB-CH2 4.42Å; P310-W312 HydrophobicContact CB-CZ2 4.05Å; P310-W312 HydrophobicContact CG-CH2 4.24Å; P310-W312 HydrophobicContact CG-CZ2 3.7Å; P310-W312 PolarHBondContact O-N 3.48Å; P310-L353 HydrophobicContact CB-CD1 3.92Å; P310-L353 HydrophobicContact CG-CD1 4.06Å; P310-L353 HydrophobicContact CG-CD2 4.16Å
311D93.7Very high93.4Very high138 Ų13878 Ų7874%0.73838%0.38SS*.  trans-72.879.6173.2-170.520.9000110.9L8 T313 K317L8-D311 WeakPolarHBondContact CD2-O 3.49Å; D311-T313 PolarHBondContact O-N 2.93Å; D311-K317 IonicContact OD1-NZ 2.77Å
312W95.8Very high93.9Very high2 Ų271 Ų711%0.00835%0.35CS..  trans-64.2132-179.4-61111.6000110.8L8 V279 M290 P310 I316 K317 W322 L334 L353L8-W312 HydrophobicContact CD1-CE3 4.33Å; L8-W312 HydrophobicContact CD1-CZ3 4.02Å; L8-W312 HydrophobicContact CD2-CE3 3.97Å; L8-W312 HydrophobicContact CD2-CZ3 4.48Å; V279-W312 HydrophobicContact CG1-CH2 3.95Å; V279-W312 HydrophobicContact CG1-CZ2 4.4Å; M290-W312 HydrophobicContact CE-CB 3.87Å; M290-W312 HydrophobicContact CE-CD2 4.15Å; M290-W312 HydrophobicContact CE-CG 3.51Å; M290-W312 PolarHBondContact O-NE1 2.65Å; P310-W312 HydrophobicContact CB-CD2 4.17Å; P310-W312 HydrophobicContact CB-CH2 4.42Å; P310-W312 HydrophobicContact CB-CZ2 4.05Å; P310-W312 HydrophobicContact CG-CH2 4.24Å; P310-W312 HydrophobicContact CG-CZ2 3.7Å; P310-W312 PolarHBondContact O-N 3.48Å; W312-I316 HydrophobicContact CB-CB 4.47Å; W312-I316 HydrophobicContact CB-CG2 4.32Å; W312-I316 HydrophobicContact CD2-CG2 4.15Å; W312-I316 HydrophobicContact CE3-CB 4.46Å; W312-I316 HydrophobicContact CE3-CD1 3.74Å; W312-I316 HydrophobicContact CE3-CG2 3.76Å; W312-I316 HydrophobicContact CG-CG2 4.44Å; W312-I316 HydrophobicContact CZ3-CD1 4.19Å; W312-I316 HydrophobicContact CZ3-CG2 4.41Å; W312-K317 HydrophobicContact CB-CD 4.37Å; W312-K317 HydrophobicContact CB-CG 3.91Å; W312-K317 WeakPolarHBondContact O-CD 3.17Å; W312-K317 WeakPolarHBondContact O-CE 3.37Å; W312-K317 PolarHBondContact O-NZ 3.22Å; W312-W322 AromaticContact CH2-CZ3 3.99Å; W312-W322 HydrophobicContact CH2-CZ3 3.99Å; W312-W322 HydrophobicContact CZ2-CH2 4.3Å; W312-W322 HydrophobicContact CZ2-CZ3 4.06Å; W312-W322 HydrophobicContact CZ3-CZ3 4.23Å; W312-L334 HydrophobicContact CH2-CD1 3.91Å; W312-L334 HydrophobicContact CZ3-CD1 3.65Å; W312-L353 HydrophobicContact CH2-CD2 3.96Å
313T95.3Very high94Very high39 Ų3970.7 Ų70.724%0.23935%0.347CS..  trans-60.8156.1174.466.90000111.3L8 D311 D315 I316 K317 Y351L8-T313 HydrophobicContact CD2-CG2 4.05Å; D311-T313 PolarHBondContact O-N 2.93Å; T313-D315 PolarHBondContact O-N 2.74Å; T313-I316 PolarHBondContact O-N 2.95Å; T313-I316 WeakPolarHBondContact OG1-CG1 3.41Å; T313-I316 PolarHBondContact OG1-N 3.36Å; T313-K317 WeakPolarHBondContact O-CG 3.3Å; T313-K317 PolarHBondContact O-N 3Å; T313-Y351 HydrophobicContact CG2-CE1 3.77Å; T313-Y351 PolarHBondContact OG1-OH 3.21Å
314P94.1Very high94.1Very high82 Ų8266.3 Ų66.353%0.53233%0.332SS..Hα-helixtrans-52.8-37.8172.8-27.536.1000112.6I316 K317 H318P314-I316 PolarHBondContact O-N 3.46Å; P314-K317 PolarHBondContact O-N 2.78Å; P314-H318 WeakPolarHBondContact O-CB 3.43Å; P314-H318 PolarHBondContact O-N 2.78Å; P314-H318 PolarHBondContact O-ND1 2.96Å
315D93.3Very high94.2Very high90 Ų9065.6 Ų65.648%0.48133%0.33SS..Hα-helixtrans-64.3-43.2-179.7-55.8-42.2000111.7T313 S319 I336T313-D315 PolarHBondContact O-N 2.74Å; D315-S319 VanDerWaalsContact O-CB 3.25Å; D315-S319 WeakPolarHBondContact O-CB 3.39Å; D315-S319 PolarHBondContact O-N 2.95Å; D315-I336 HydrophobicContact CB-CD1 3.66Å
316I95.1Very high94.2Very high2 Ų262.9 Ų62.91%0.0132%0.324CS..Hα-helixtrans-65.8-42.7174.9-64.8171.4000110.8L8 K288 M290 W312 T313 P314 H318 W322 I336 Y351L8-I316 HydrophobicContact CD1-CD1 4.3Å; L8-I316 HydrophobicContact CD2-CD1 3.79Å; K288-I316 VanDerWaalsContact CE-O 3.25Å; K288-I316 WeakPolarHBondContact CE-O 3.31Å; K288-I316 PolarHBondContact NZ-O 3.1Å; M290-I316 HydrophobicContact CE-CG2 4.34Å; W312-I316 HydrophobicContact CB-CB 4.47Å; W312-I316 HydrophobicContact CB-CG2 4.32Å; W312-I316 HydrophobicContact CD2-CG2 4.15Å; W312-I316 HydrophobicContact CE3-CB 4.46Å; W312-I316 HydrophobicContact CE3-CD1 3.74Å; W312-I316 HydrophobicContact CE3-CG2 3.76Å; W312-I316 HydrophobicContact CG-CG2 4.44Å; W312-I316 HydrophobicContact CZ3-CD1 4.19Å; W312-I316 HydrophobicContact CZ3-CG2 4.41Å; T313-I316 PolarHBondContact O-N 2.95Å; T313-I316 WeakPolarHBondContact OG1-CG1 3.41Å; T313-I316 PolarHBondContact OG1-N 3.36Å; P314-I316 PolarHBondContact O-N 3.46Å; I316-H318 PolarHBondContact O-N 3.42Å; I316-W322 HydrophobicContact CG2-CE3 3.87Å; I316-W322 HydrophobicContact CG2-CZ3 3.89Å; I316-I336 HydrophobicContact CG1-CD1 4.07Å; I316-I336 HydrophobicContact CG1-CG2 4.29Å; I316-Y351 HydrophobicContact CD1-CD1 3.97Å; I316-Y351 HydrophobicContact CD1-CD2 3.86Å; I316-Y351 HydrophobicContact CD1-CE1 4.08Å; I316-Y351 HydrophobicContact CD1-CE2 3.99Å; I316-Y351 HydrophobicContact CD1-CG 3.85Å; I316-Y351 HydrophobicContact CG1-CD2 4.13Å; I316-Y351 HydrophobicContact CG1-CE2 3.86Å
317K94.4Very high94.3Very high105 Ų10557.7 Ų57.746%0.45730%0.3SS..Hα-helixtrans-59.3-46.7178.9-76166.9169.7146.60111.1K288 M290 D311 W312 T313 P314K288-K317 PolarHBondContact NZ-O 2.74Å; M290-K317 HydrophobicContact CE-CG 4.02Å; D311-K317 IonicContact OD1-NZ 2.77Å; W312-K317 HydrophobicContact CB-CD 4.37Å; W312-K317 HydrophobicContact CB-CG 3.91Å; W312-K317 WeakPolarHBondContact O-CD 3.17Å; W312-K317 WeakPolarHBondContact O-CE 3.37Å; W312-K317 PolarHBondContact O-NZ 3.22Å; T313-K317 WeakPolarHBondContact O-CG 3.3Å; T313-K317 PolarHBondContact O-N 3Å; P314-K317 PolarHBondContact O-N 2.78Å
318H92.1Very high94.2Very high163 Ų16357.7 Ų57.776%0.75530%0.303SS*.Hα-helixtrans-84.8-20.1-176.7-63.199.2000114.5P314 I316 K320P314-H318 WeakPolarHBondContact O-CB 3.43Å; P314-H318 PolarHBondContact O-N 2.78Å; P314-H318 PolarHBondContact O-ND1 2.96Å; I316-H318 PolarHBondContact O-N 3.42Å; H318-K320 PolarHBondContact O-N 3.32Å
319S93.6Very high94.1Very high17 Ų1757 Ų5712%0.11930%0.303CS..  trans-59.6136.4177.7179.70000111.3K288 D315 I321K288-S319 WeakPolarHBondContact CE-O 3.22Å; K288-S319 PolarHBondContact NZ-O 3.31Å; D315-S319 VanDerWaalsContact O-CB 3.25Å; D315-S319 WeakPolarHBondContact O-CB 3.39Å; D315-S319 PolarHBondContact O-N 2.95Å; S319-I321 VanDerWaalsContact C-N 3.34Å; S319-I321 PolarHBondContact OG-N 3.03Å; S319-I321 PolarHBondContact OG-O 2.84Å
320K92.5Very high94.1Very high147 Ų14754.1 Ų54.164%0.63929%0.286SS*.SBendtrans-69.6-34.2175.5-173.3175.9178.6-179.60112.2H318H318-K320 PolarHBondContact O-N 3.32Å
321I94.4Very high94.3Very high71 Ų7154.9 Ų54.936%0.36429%0.29SS..  trans-130.2153.3-174.264.2170.7000111.2Y282 S319 P337Y282-I321 WeakPolarHBondContact OH-CA 3.5Å; S319-I321 VanDerWaalsContact C-N 3.34Å; S319-I321 PolarHBondContact OG-N 3.03Å; S319-I321 PolarHBondContact OG-O 2.84Å; I321-P337 HydrophobicContact CD1-CG 4.11Å; I321-P337 HydrophobicContact CG1-CG 3.65Å; I321-P337 WeakPolarHBondContact O-CD 3.14Å
322W96.9Very high94.4Very high12 Ų1248.3 Ų48.35%0.04526%0.255CS..  trans-141.2160.716556.86.4000109.3G280 G281 Y282 K288 R289 M290 W312 I316 G335 I336G280-W322 VanDerWaalsContact CA-CH2 3.43Å; G281-W322 WeakPolarHBondContact O-CZ2 3.48Å; G281-W322 PolarHBondContact O-NE1 2.82Å; Y282-W322 AromaticContact CZ-CD1 3.7Å; Y282-W322 PolarHBondContact OH-N 2.72Å; Y282-W322 PolarHBondContact OH-O 2.86Å; K288-W322 HydrophobicContact CB-CZ2 3.88Å; K288-W322 HydrophobicContact CD-CB 4.45Å; K288-W322 HydrophobicContact CD-CD2 3.88Å; K288-W322 HydrophobicContact CD-CE3 4.49Å; K288-W322 HydrophobicContact CD-CG 3.86Å; R289-W322 WeakPolarHBondContact O-CH2 3.5Å; R289-W322 WeakPolarHBondContact O-CZ2 3.44Å; M290-W322 HydrophobicContact SD-CH2 4.05Å; M290-W322 HydrophobicContact SD-CZ3 4.4Å; W312-W322 AromaticContact CH2-CZ3 3.99Å; W312-W322 HydrophobicContact CH2-CZ3 3.99Å; W312-W322 HydrophobicContact CZ2-CH2 4.3Å; W312-W322 HydrophobicContact CZ2-CZ3 4.06Å; W312-W322 HydrophobicContact CZ3-CZ3 4.23Å; I316-W322 HydrophobicContact CG2-CE3 3.87Å; I316-W322 HydrophobicContact CG2-CZ3 3.89Å; W322-G335 VanDerWaalsContact CA-O 3.31Å; W322-G335 WeakPolarHBondContact CA-O 3.33Å; W322-I336 HydrophobicContact CB-CG2 4Å
323F97.6Very high94.5Very high21 Ų2148.3 Ų48.39%0.09226%0.255CS..EExtended strand (participates in β ladder)trans-150.3165.4173.662.6-80.4000108I20 P22 F24 L334 G335 F348 F350I20-F323 HydrophobicContact CG2-CE2 4.17Å; P22-F323 HydrophobicContact CB-CB 4.19Å; P22-F323 HydrophobicContact CB-CD1 4.25Å; P22-F323 HydrophobicContact CB-CD2 4.19Å; P22-F323 HydrophobicContact CB-CG 3.95Å; P22-F323 HydrophobicContact CG-CD1 3.74Å; P22-F323 HydrophobicContact CG-CD2 4.21Å; P22-F323 HydrophobicContact CG-CE1 3.87Å; P22-F323 HydrophobicContact CG-CE2 4.33Å; P22-F323 HydrophobicContact CG-CG 3.92Å; P22-F323 HydrophobicContact CG-CZ 4.17Å; F24-F323 AromaticContact CD1-CD2 3.95Å; F24-F323 HydrophobicContact CD1-CD2 3.95Å; F24-F323 HydrophobicContact CD1-CE2 4.05Å; F24-F323 AromaticContact CE1-CD2 3.63Å; F24-F323 HydrophobicContact CE1-CD2 3.63Å; F24-F323 AromaticContact CE1-CE2 3.79Å; F24-F323 HydrophobicContact CE1-CE2 3.79Å; F323-L334 CarbonylContact O-C 3.58Å; F323-L334 WeakPolarHBondContact O-CA 3.29Å; F323-G335 WeakPolarHBondContact CD1-O 3.49Å; F323-G335 PolarHBondContact N-O 3.36Å; F323-G335 PolarHBondContact O-N 3.03Å; F323-F348 AromaticContact CE1-CD1 3.54Å; F323-F348 HydrophobicContact CE1-CD1 3.54Å; F323-F348 AromaticContact CE1-CE1 3.56Å; F323-F348 HydrophobicContact CE1-CE1 3.56Å; F323-F348 HydrophobicContact CE1-CG 4.23Å; F323-F348 HydrophobicContact CE1-CZ 4.25Å; F323-F348 AromaticContact CZ-CD1 3.78Å; F323-F348 HydrophobicContact CZ-CD1 3.78Å; F323-F348 HydrophobicContact CZ-CD2 4.32Å; F323-F348 AromaticContact CZ-CE1 3.93Å; F323-F348 HydrophobicContact CZ-CE1 3.93Å; F323-F348 HydrophobicContact CZ-CE2 4.44Å; F323-F348 HydrophobicContact CZ-CG 4Å; F323-F348 HydrophobicContact CZ-CZ 4.26Å; F323-F350 HydrophobicContact CE2-CE1 4.47Å; F323-F350 HydrophobicContact CZ-CE1 4.26Å
324G97.2Very high94.6Very high20 Ų2046.6 Ų46.621%0.20625%0.245CC..EExtended strand (participates in β ladder)trans173.8-178.4-177.200000111.9F333G324-F333 CarbonylContact C-O 3.57Å; G324-F333 WeakPolarHBondContact CA-O 3.24Å
325S97.6Very high94.7Very high22 Ų2242.8 Ų42.815%0.15422%0.22CC..EExtended strand (participates in β ladder)trans-152.2163.3178.5-1640000110.3L26 F333L26-S325 PolarHBondContact N-OG 3.25Å; S325-F333 PolarHBondContact N-O 3.21Å; S325-F333 PolarHBondContact O-N 3.01Å
326N96.1Very high94.8Very high46 Ų4638.7 Ų38.725%0.24620%0.198CC..EExtended strand (participates in β ladder)trans-79.7122.7178.6176.121.7000110L26 I267 L268 T269 G328 T331L26-N326 WeakPolarHBondContact CB-O 3.34Å; I267-N326 HydrophobicContact CG2-CB 4.29Å; L268-N326 VanDerWaalsContact O-CB 3.27Å; L268-N326 WeakPolarHBondContact O-CB 3.37Å; L268-N326 PolarHBondContact O-ND2 2.89Å; T269-N326 VanDerWaalsContact CB-OD1 3.31Å; T269-N326 WeakPolarHBondContact CB-OD1 3.43Å; T269-N326 PolarHBondContact OG1-OD1 3.27Å; N326-G328 PolarHBondContact O-N 2.92Å; N326-G328 WeakPolarHBondContact OD1-CA 3.5Å; N326-G328 PolarHBondContact OD1-N 2.79Å; N326-T331 PolarHBondContact OD1-O 3.17Å
327M94.8Very high94.6Very high17 Ų1740.8 Ų40.88%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-77.4-8.9173.3-67.8-177.569.900112.6L26 N28 V33 L53 V55 T331 F333 T352L26-M327 HydrophobicContact CD1-CB 4.49Å; L26-M327 HydrophobicContact CD1-CG 3.6Å; N28-M327 PolarHBondContact ND2-O 2.93Å; V33-M327 HydrophobicContact CG1-CB 4.32Å; V33-M327 HydrophobicContact CG1-CG 4.37Å; V33-M327 HydrophobicContact CG2-CB 4.16Å; V33-M327 HydrophobicContact CG2-CE 4.2Å; V33-M327 WeakPolarHBondContact CG2-O 3.39Å; L53-M327 HydrophobicContact CD2-CE 4.04Å; V55-M327 HydrophobicContact CG2-CE 3.65Å; M327-T331 HydrophobicContact CB-CG2 4.22Å; M327-T331 WeakPolarHBondContact CB-O 3.24Å; M327-T331 HydrophobicContact CG-CG2 4.45Å; M327-T331 PolarHBondContact N-O 2.82Å; M327-T331 HydrophobicContact SD-CG2 3.81Å; M327-F333 HydrophobicContact CG-CB 3.83Å; M327-F333 HydrophobicContact SD-CB 3.84Å; M327-F333 HydrophobicContact SD-CD2 4.4Å; M327-F333 HydrophobicContact SD-CG 4.48Å; M327-T352 HydrophobicContact SD-CG2 4.33Å
328G90.5Very high94.1Very high12 Ų1236.4 Ų36.412%0.12420%0.196CC..EExtended strand (participates in β ladder)trans84.8174.4-165.200000111.4N326 G330 T331N326-G328 PolarHBondContact O-N 2.92Å; N326-G328 WeakPolarHBondContact OD1-CA 3.5Å; N326-G328 PolarHBondContact OD1-N 2.79Å; G328-G330 VanDerWaalsContact C-N 3.34Å; G328-G330 PolarHBondContact O-N 2.72Å; G328-T331 WeakPolarHBondContact O-CB 3.22Å; G328-T331 PolarHBondContact O-N 2.83Å
329N87Confident93.1Very high122 Ų12233 Ų3365%0.65218%0.183SC*.THydrogen-bonded Turntrans48.650.4175.7-54.6-14.1000113.2T331N329-T331 PolarHBondContact O-N 2.96Å; N329-T331 PolarHBondContact O-OG1 2.85Å
330G92.4Very high91.6Very high1 Ų139.1 Ų39.11%0.0122%0.215CC..THydrogen-bonded Turntrans63.512178.900000116T269 Q270 G328 C355T269-G330 WeakPolarHBondContact OG1-CA 3.4Å; T269-G330 PolarHBondContact OG1-N 3.29Å; Q270-G330 WeakPolarHBondContact O-CA 3.32Å; Q270-G330 PolarHBondContact O-N 2.87Å; G328-G330 VanDerWaalsContact C-N 3.34Å; G328-G330 PolarHBondContact O-N 2.72Å; G330-C355 VanDerWaalsContact O-CB 3.28Å; G330-C355 WeakPolarHBondContact O-CB 3.2Å; G330-C355 PolarHBondContact O-N 2.96Å; G330-C355 PolarHBondContact O-SG 3.13Å
331T95.2Very high89.9Confident23 Ų2340.1 Ų40.114%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-111.6134.6-173.8-57.90000111.6T269 N326 M327 G328 N329 T352 L353 K354T269-T331 PolarHBondContact OG1-N 3.02Å; N326-T331 PolarHBondContact OD1-O 3.17Å; M327-T331 HydrophobicContact CB-CG2 4.22Å; M327-T331 WeakPolarHBondContact CB-O 3.24Å; M327-T331 HydrophobicContact CG-CG2 4.45Å; M327-T331 PolarHBondContact N-O 2.82Å; M327-T331 HydrophobicContact SD-CG2 3.81Å; G328-T331 WeakPolarHBondContact O-CB 3.22Å; G328-T331 PolarHBondContact O-N 2.83Å; N329-T331 PolarHBondContact O-N 2.96Å; N329-T331 PolarHBondContact O-OG1 2.85Å; T331-T352 HydrophobicContact CG2-CG2 3.27Å; T331-L353 WeakPolarHBondContact CA-O 3.14Å; T331-K354 HydrophobicContact CG2-CG 4.34Å
332V97Very high87.9Confident0 Ų043.9 Ų43.90%024%0.235CC..EExtended strand (participates in β ladder)trans-119.4132.4-179.2177.40000110.4I267 T269 V279 L334 T352 L353I267-V332 HydrophobicContact CB-CG1 4.23Å; I267-V332 HydrophobicContact CD1-CG1 3.76Å; I267-V332 HydrophobicContact CG2-CG1 3.79Å; I267-V332 HydrophobicContact CG2-CG2 4.11Å; T269-V332 HydrophobicContact CG2-CG2 3.83Å; V279-V332 HydrophobicContact CB-CG2 4.47Å; V279-V332 HydrophobicContact CG2-CG2 4.12Å; V332-L334 HydrophobicContact CG1-CD2 3.9Å; V332-L334 HydrophobicContact CG1-CG 3.99Å; V332-T352 CarbonylContact O-C 3.57Å; V332-T352 WeakPolarHBondContact O-CA 3.16Å; V332-L353 HydrophobicContact CB-CB 4.42Å; V332-L353 PolarHBondContact N-O 2.77Å; V332-L353 PolarHBondContact O-N 3.21Å
333F97.2Very high85.4Confident2 Ų250.7 Ų50.71%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-99.2122172.5-169.5-116.3000110V11 I20 F24 L26 V60 G324 S325 M327 F350V11-F333 HydrophobicContact CG1-CE2 4.45Å; I20-F333 HydrophobicContact CD1-CE1 4.29Å; F24-F333 HydrophobicContact CE2-CD1 4.17Å; F24-F333 AromaticContact CZ-CD1 3.78Å; F24-F333 HydrophobicContact CZ-CD1 3.78Å; F24-F333 HydrophobicContact CZ-CE1 4.46Å; L26-F333 HydrophobicContact CD1-CB 3.93Å; V60-F333 HydrophobicContact CG2-CE2 4Å; V60-F333 HydrophobicContact CG2-CZ 4.3Å; G324-F333 CarbonylContact C-O 3.57Å; G324-F333 WeakPolarHBondContact CA-O 3.24Å; S325-F333 PolarHBondContact N-O 3.21Å; S325-F333 PolarHBondContact O-N 3.01Å; M327-F333 HydrophobicContact CG-CB 3.83Å; M327-F333 HydrophobicContact SD-CB 3.84Å; M327-F333 HydrophobicContact SD-CD2 4.4Å; M327-F333 HydrophobicContact SD-CG 4.48Å; F333-F350 HydrophobicContact CD1-CD1 4.45Å; F333-F350 AromaticContact CE1-CD1 3.49Å; F333-F350 HydrophobicContact CE1-CD1 3.49Å; F333-F350 VanDerWaalsContact CE1-CD1 3.49Å; F333-F350 AromaticContact CE1-CE1 3.98Å; F333-F350 HydrophobicContact CE1-CE1 3.98Å; F333-F350 HydrophobicContact CE1-CG 4.16Å; F333-F350 HydrophobicContact CE2-CB 3.86Å; F333-F350 HydrophobicContact CE2-CD1 4.33Å; F333-F350 HydrophobicContact CE2-CG 4.35Å; F333-F350 HydrophobicContact CZ-CB 3.62Å; F333-F350 AromaticContact CZ-CD1 3.41Å; F333-F350 HydrophobicContact CZ-CD1 3.41Å; F333-F350 VanDerWaalsContact CZ-CD1 3.41Å; F333-F350 HydrophobicContact CZ-CE1 4.25Å; F333-F350 AromaticContact CZ-CG 3.6Å; F333-F350 HydrophobicContact CZ-CG 3.6Å
334L97.3Very high83.1Confident4 Ų456.2 Ų56.22%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-117.2144.9-176-66.7173.2000111.1I267 W312 F323 V332 F350 Y351I267-L334 HydrophobicContact CD1-CD2 3.42Å; I267-L334 VanDerWaalsContact CD1-CD2 3.42Å; W312-L334 HydrophobicContact CH2-CD1 3.91Å; W312-L334 HydrophobicContact CZ3-CD1 3.65Å; F323-L334 CarbonylContact O-C 3.58Å; F323-L334 WeakPolarHBondContact O-CA 3.29Å; V332-L334 HydrophobicContact CG1-CD2 3.9Å; V332-L334 HydrophobicContact CG1-CG 3.99Å; L334-F350 CarbonylContact O-C 3.48Å; L334-F350 VanDerWaalsContact O-CA 3.25Å; L334-F350 WeakPolarHBondContact O-CA 3.5Å; L334-Y351 PolarHBondContact N-O 2.87Å; L334-Y351 PolarHBondContact O-N 3.02Å
335G95.9Very high81.4Confident1 Ų157 Ų571%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-129.5141.1172.100000111.7W322 F323 Y349W322-G335 VanDerWaalsContact CA-O 3.31Å; W322-G335 WeakPolarHBondContact CA-O 3.33Å; F323-G335 WeakPolarHBondContact CD1-O 3.49Å; F323-G335 PolarHBondContact N-O 3.36Å; F323-G335 PolarHBondContact O-N 3.03Å; G335-Y349 WeakPolarHBondContact CA-O 3.24Å
336I95.7Very high80.1Confident4 Ų460 Ų602%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-127.3147.7170.161.6175.1000109.5D315 I316 W322 F348 Y349 Y351D315-I336 HydrophobicContact CB-CD1 3.66Å; I316-I336 HydrophobicContact CG1-CD1 4.07Å; I316-I336 HydrophobicContact CG1-CG2 4.29Å; W322-I336 HydrophobicContact CB-CG2 4Å; I336-F348 CarbonylContact O-C 3.55Å; I336-F348 WeakPolarHBondContact O-CA 3.42Å; I336-Y349 HydrophobicContact CG1-CD2 4.45Å; I336-Y349 PolarHBondContact N-O 2.81Å; I336-Y349 PolarHBondContact O-N 2.68Å; I336-Y351 HydrophobicContact CD1-CE2 3.78Å; I336-Y351 HydrophobicContact CG1-CE2 3.99Å
337P92.1Very high79.4Confident47 Ų4760.8 Ų60.831%0.30534%0.34SS..EExtended strand (participates in β ladder)trans-63.1141.1173.927.7-36.2000111.2I321 F348I321-P337 HydrophobicContact CD1-CG 4.11Å; I321-P337 HydrophobicContact CG1-CG 3.65Å; I321-P337 WeakPolarHBondContact O-CD 3.14Å; P337-F348 HydrophobicContact CB-CD1 4.39Å; P337-F348 HydrophobicContact CB-CE1 4.39Å
338G83Confident79.2Confident12 Ų1261.8 Ų61.812%0.12434%0.344CS..PPolyproline II helixtrans-70.2153.1170.500000112.3A347G338-A347 PolarHBondContact N-O 3.22Å
339D71Confident79.4Confident91 Ų9164 Ų6449%0.48735%0.349SS..PPolyproline II helixtrans-80.8120174-168.81.5000109.7K341 S345D339-K341 PolarHBondContact O-N 3.09Å; D339-K341 IonicContact OD1-NZ 3.87Å; D339-K341 WeakPolarHBondContact OD2-CD 3.49Å; D339-K341 WeakPolarHBondContact OD2-CE 3.18Å; D339-K341 IonicContact OD2-NZ 3.71Å; D339-K341 PolarHBondContact OD2-NZ 2.85Å; D339-S345 PolarHBondContact O-OG 3.48Å; D339-S345 VanDerWaalsContact O-OG 3.04Å
340N61.2Low79.7Confident146 Ų14658.3 Ų58.378%0.78132%0.319SS*.THydrogen-bonded Turntrans-69.714.7-174.7-74.1-14.2000114.9Q342N340-Q342 VanDerWaalsContact C-N 3.34Å
341K57.7Low79.9Confident168 Ų16858.4 Ų58.473%0.7332%0.319SS*.THydrogen-bonded Turntrans-81-10.1-174.9-70.7-179.7-164.6129.80114.2D339D339-K341 PolarHBondContact O-N 3.09Å; D339-K341 IonicContact OD1-NZ 3.87Å; D339-K341 WeakPolarHBondContact OD2-CD 3.49Å; D339-K341 WeakPolarHBondContact OD2-CE 3.18Å; D339-K341 IonicContact OD2-NZ 3.71Å; D339-K341 PolarHBondContact OD2-NZ 2.85Å
342Q52.7Low79.9Confident150 Ų15057.9 Ų57.970%0.70132%0.316SS*.SBendtrans-116.4147179.7-62-1734.700112.1N340 V344 S345N340-Q342 VanDerWaalsContact C-N 3.34Å; Q342-V344 PolarHBondContact O-N 2.89Å; Q342-V344 VanDerWaalsContact O-N 3.11Å; Q342-S345 PolarHBondContact N-OG 3.2Å; Q342-S345 PolarHBondContact O-N 2.63Å; Q342-S345 PolarHBondContact O-OG 2.94Å
343V43.7Very low79.9Confident155 Ų15557.9 Ų57.994%0.93932%0.316SS*.THydrogen-bonded Turntrans-65.8-13-172.2-179.80000113.3
344V50.6Low79.7Confident138 Ų13861.5 Ų61.584%0.83633%0.331SS*.THydrogen-bonded Turntrans-133.457.1175.4-166.10000109.4Q342Q342-V344 PolarHBondContact O-N 2.89Å; Q342-V344 VanDerWaalsContact O-N 3.11Å
345S59.8Low79.3Confident35 Ų3561.8 Ų61.825%0.24533%0.334CS..  trans-84.5122.9179-56.80000110.1D339 Q342D339-S345 PolarHBondContact O-OG 3.48Å; D339-S345 VanDerWaalsContact O-OG 3.04Å; Q342-S345 PolarHBondContact N-OG 3.2Å; Q342-S345 PolarHBondContact O-N 2.63Å; Q342-S345 PolarHBondContact O-OG 2.94Å
346E70.4Confident78.4Confident85 Ų8564 Ų6440%0.39735%0.351SS..  trans-58.8138.7168.6-67.2-178.417200109.6I17 F348 Y349I17-E346 HydrophobicContact CD1-CB 4.35Å; E346-F348 PolarHBondContact O-N 3.11Å; E346-Y349 HydrophobicContact CB-CE1 4.22Å
347A82.7Confident76.6Confident64 Ų6470.7 Ų70.753%0.52938%0.383SS..SBendtrans-61.2-34.2-177.900000112.3G338G338-A347 PolarHBondContact N-O 3.22Å
348F91Very high74.3Confident38 Ų3873.1 Ų73.117%0.16739%0.393CS..EExtended strand (participates in β ladder)trans-142.4141.8179.2-62-69.3000111P22 F323 I336 P337 E346 F350P22-F348 HydrophobicContact CG-CZ 4.44Å; F323-F348 AromaticContact CE1-CD1 3.54Å; F323-F348 HydrophobicContact CE1-CD1 3.54Å; F323-F348 AromaticContact CE1-CE1 3.56Å; F323-F348 HydrophobicContact CE1-CE1 3.56Å; F323-F348 HydrophobicContact CE1-CG 4.23Å; F323-F348 HydrophobicContact CE1-CZ 4.25Å; F323-F348 AromaticContact CZ-CD1 3.78Å; F323-F348 HydrophobicContact CZ-CD1 3.78Å; F323-F348 HydrophobicContact CZ-CD2 4.32Å; F323-F348 AromaticContact CZ-CE1 3.93Å; F323-F348 HydrophobicContact CZ-CE1 3.93Å; F323-F348 HydrophobicContact CZ-CE2 4.44Å; F323-F348 HydrophobicContact CZ-CG 4Å; F323-F348 HydrophobicContact CZ-CZ 4.26Å; I336-F348 CarbonylContact O-C 3.55Å; I336-F348 WeakPolarHBondContact O-CA 3.42Å; P337-F348 HydrophobicContact CB-CD1 4.39Å; P337-F348 HydrophobicContact CB-CE1 4.39Å; E346-F348 PolarHBondContact O-N 3.11Å; F348-F350 HydrophobicContact CB-CD2 4.49Å; F348-F350 HydrophobicContact CB-CE1 4.2Å; F348-F350 HydrophobicContact CB-CE2 3.65Å; F348-F350 HydrophobicContact CB-CZ 3.49Å; F348-F350 VanDerWaalsContact CB-CZ 3.49Å; F348-F350 HydrophobicContact CD2-CZ 4.37Å; F348-F350 HydrophobicContact CG-CZ 4.22Å
349Y93.1Very high72Confident59 Ų5980.4 Ų80.423%0.23143%0.429CS..EExtended strand (participates in β ladder)trans-98.3139.3165.2-60.3-59.4000110.1M10 G335 I336 E346M10-Y349 HydrophobicContact CE-CD1 3.91Å; M10-Y349 HydrophobicContact CE-CG 4.44Å; G335-Y349 WeakPolarHBondContact CA-O 3.24Å; I336-Y349 HydrophobicContact CG1-CD2 4.45Å; I336-Y349 PolarHBondContact N-O 2.81Å; I336-Y349 PolarHBondContact O-N 2.68Å; E346-Y349 HydrophobicContact CB-CE1 4.22Å
350F95.1Very high70.2Confident2 Ų281.4 Ų81.41%0.00944%0.439CS..EExtended strand (participates in β ladder)trans-115.9148.3-175.3-63.7-79000112.9V11 V13 I17 I20 F323 F333 L334 F348V11-F350 PolarHBondContact N-O 2.95Å; V13-F350 HydrophobicContact CB-CD2 4.46Å; V13-F350 HydrophobicContact CG2-CB 4.39Å; V13-F350 HydrophobicContact CG2-CD2 3.4Å; V13-F350 HydrophobicContact CG2-CE2 3.9Å; V13-F350 HydrophobicContact CG2-CG 4.04Å; I17-F350 HydrophobicContact CD1-CD2 4.39Å; I17-F350 HydrophobicContact CD1-CE2 3.91Å; I17-F350 HydrophobicContact CG1-CD2 4.47Å; I17-F350 HydrophobicContact CG1-CE2 3.65Å; I20-F350 HydrophobicContact CB-CE1 4.21Å; I20-F350 HydrophobicContact CB-CZ 3.78Å; I20-F350 HydrophobicContact CD1-CE1 4.16Å; I20-F350 HydrophobicContact CD1-CE2 4.2Å; I20-F350 HydrophobicContact CD1-CZ 3.86Å; I20-F350 HydrophobicContact CG1-CZ 4.42Å; I20-F350 HydrophobicContact CG2-CE1 3.49Å; I20-F350 VanDerWaalsContact CG2-CE1 3.49Å; I20-F350 HydrophobicContact CG2-CZ 3.57Å; F323-F350 HydrophobicContact CE2-CE1 4.47Å; F323-F350 HydrophobicContact CZ-CE1 4.26Å; F333-F350 HydrophobicContact CD1-CD1 4.45Å; F333-F350 AromaticContact CE1-CD1 3.49Å; F333-F350 HydrophobicContact CE1-CD1 3.49Å; F333-F350 VanDerWaalsContact CE1-CD1 3.49Å; F333-F350 AromaticContact CE1-CE1 3.98Å; F333-F350 HydrophobicContact CE1-CE1 3.98Å; F333-F350 HydrophobicContact CE1-CG 4.16Å; F333-F350 HydrophobicContact CE2-CB 3.86Å; F333-F350 HydrophobicContact CE2-CD1 4.33Å; F333-F350 HydrophobicContact CE2-CG 4.35Å; F333-F350 HydrophobicContact CZ-CB 3.62Å; F333-F350 AromaticContact CZ-CD1 3.41Å; F333-F350 HydrophobicContact CZ-CD1 3.41Å; F333-F350 VanDerWaalsContact CZ-CD1 3.41Å; F333-F350 HydrophobicContact CZ-CE1 4.25Å; F333-F350 AromaticContact CZ-CG 3.6Å; F333-F350 HydrophobicContact CZ-CG 3.6Å; L334-F350 CarbonylContact O-C 3.48Å; L334-F350 VanDerWaalsContact O-CA 3.25Å; L334-F350 WeakPolarHBondContact O-CA 3.5Å; F348-F350 HydrophobicContact CB-CD2 4.49Å; F348-F350 HydrophobicContact CB-CE1 4.2Å; F348-F350 HydrophobicContact CB-CE2 3.65Å; F348-F350 HydrophobicContact CB-CZ 3.49Å; F348-F350 VanDerWaalsContact CB-CZ 3.49Å; F348-F350 HydrophobicContact CD2-CZ 4.37Å; F348-F350 HydrophobicContact CG-CZ 4.22Å
351Y96.1Very high68.8Low2 Ų280.4 Ų80.41%0.00843%0.434CS..EExtended strand (participates in β ladder)trans-139.4148.8-179-60.6-96.3000110.2L8 Q9 M10 T313 I316 L334 I336L8-Y351 HydrophobicContact CD1-CD1 4.29Å; L8-Y351 HydrophobicContact CD1-CG 4.41Å; L8-Y351 HydrophobicContact CD2-CD1 4.43Å; L8-Y351 HydrophobicContact CG-CD1 4.29Å; Q9-Y351 CarbonylContact O-C 3.59Å; Q9-Y351 VanDerWaalsContact O-CA 3.24Å; Q9-Y351 WeakPolarHBondContact O-CA 3.49Å; M10-Y351 HydrophobicContact CB-CD1 3.99Å; M10-Y351 HydrophobicContact CB-CE1 3.87Å; M10-Y351 HydrophobicContact CG-CD1 4.37Å; M10-Y351 HydrophobicContact CG-CE1 4.04Å; T313-Y351 HydrophobicContact CG2-CE1 3.77Å; T313-Y351 PolarHBondContact OG1-OH 3.21Å; I316-Y351 HydrophobicContact CD1-CD1 3.97Å; I316-Y351 HydrophobicContact CD1-CD2 3.86Å; I316-Y351 HydrophobicContact CD1-CE1 4.08Å; I316-Y351 HydrophobicContact CD1-CE2 3.99Å; I316-Y351 HydrophobicContact CD1-CG 3.85Å; I316-Y351 HydrophobicContact CG1-CD2 4.13Å; I316-Y351 HydrophobicContact CG1-CE2 3.86Å; L334-Y351 PolarHBondContact N-O 2.87Å; L334-Y351 PolarHBondContact O-N 3.02Å; I336-Y351 HydrophobicContact CD1-CE2 3.78Å; I336-Y351 HydrophobicContact CG1-CE2 3.99Å
352T95.8Very high67.5Low13 Ų1382 Ų828%0.0844%0.443CS..EExtended strand (participates in β ladder)trans-112.2128.5167.6-60.20000108.6Q9 V11 M327 T331 V332Q9-T352 PolarHBondContact N-O 3.45Å; Q9-T352 PolarHBondContact O-N 3.44Å; V11-T352 VanDerWaalsContact CG2-OG1 3.29Å; V11-T352 WeakPolarHBondContact CG2-OG1 3.15Å; M327-T352 HydrophobicContact SD-CG2 4.33Å; T331-T352 HydrophobicContact CG2-CG2 3.27Å; V332-T352 CarbonylContact O-C 3.57Å; V332-T352 WeakPolarHBondContact O-CA 3.16Å
353L95.6Very high66.5Low0 Ų083 Ų830%045%0.448CS..EExtended strand (participates in β ladder)trans-110.3118172.5-176.475000108.9M6 S7 L8 V279 P310 W312 T331 V332M6-L353 HydrophobicContact CB-CD1 4.1Å; M6-L353 HydrophobicContact SD-CD2 4.36Å; S7-L353 WeakPolarHBondContact O-CA 3.41Å; L8-L353 HydrophobicContact CB-CD1 3.99Å; L8-L353 HydrophobicContact CD1-CB 4.23Å; L8-L353 HydrophobicContact CD1-CD1 4.05Å; V279-L353 HydrophobicContact CB-CD2 4.35Å; V279-L353 HydrophobicContact CG1-CD2 3.48Å; V279-L353 VanDerWaalsContact CG1-CD2 3.48Å; V279-L353 HydrophobicContact CG2-CD2 3.88Å; P310-L353 HydrophobicContact CB-CD1 3.92Å; P310-L353 HydrophobicContact CG-CD1 4.06Å; P310-L353 HydrophobicContact CG-CD2 4.16Å; W312-L353 HydrophobicContact CH2-CD2 3.96Å; T331-L353 WeakPolarHBondContact CA-O 3.14Å; V332-L353 HydrophobicContact CB-CB 4.42Å; V332-L353 PolarHBondContact N-O 2.77Å; V332-L353 PolarHBondContact O-N 3.21Å
354K94.3Very high66Low77 Ų7784.1 Ų84.134%0.33544%0.443SS..EExtended strand (participates in β ladder)trans-93.4125.5171.4-67.4-169.4170-159.90109.6M6 S7 T331 D358M6-K354 VanDerWaalsContact CA-O 3.31Å; M6-K354 WeakPolarHBondContact CA-O 3.39Å; S7-K354 PolarHBondContact N-O 3.22Å; S7-K354 PolarHBondContact O-N 3.42Å; T331-K354 HydrophobicContact CG2-CG 4.34Å; K354-D358 IonicContact NZ-OD2 3.56Å; K354-D358 PolarHBondContact NZ-OD2 2.63Å; K354-D358 VanDerWaalsContact NZ-OD2 3.14Å
355C88.3Confident64.8Low11 Ų1183.4 Ų83.47%0.07444%0.44CS..  trans-100.7-6.7-174.7-52.50000114.1T269 T271 V277 G330T269-C355 HydrophobicContact CG2-CB 4.32Å; T271-C355 HydrophobicContact CG2-CB 3.84Å; V277-C355 HydrophobicContact CB-CB 4.19Å; V277-C355 HydrophobicContact CG1-CB 4.22Å; V277-C355 HydrophobicContact CG2-CB 4.12Å; G330-C355 VanDerWaalsContact O-CB 3.28Å; G330-C355 WeakPolarHBondContact O-CB 3.2Å; G330-C355 PolarHBondContact O-N 2.96Å; G330-C355 PolarHBondContact O-SG 3.13Å
356A76.3Confident63Low46 Ų4687.4 Ų87.438%0.3846%0.462SS..SBendtrans-140.2150.2174.200000109.3T271T271-A356 HydrophobicContact CG2-CB 4.14Å
357E57.3Low60.9Low146 Ų14692.7 Ų92.768%0.68248%0.484SS*.  trans-75.5135.3171.9-69.7-173159.800109.6D359E357-D359 PolarHBondContact O-N 2.86Å
358D45Very low57.9Low98 Ų9895.3 Ų95.352%0.52449%0.494SS..  trans-72.7106.5167-75.9-47.7000107.2K354 T360K354-D358 IonicContact NZ-OD2 3.56Å; K354-D358 PolarHBondContact NZ-OD2 2.63Å; K354-D358 VanDerWaalsContact NZ-OD2 3.14Å; D358-T360 PolarHBondContact O-N 2.9Å
359D35.6Very low54.6Low164 Ų164101 Ų10188%0.87753%0.526SS*.THydrogen-bonded Turntrans-65.117.8169.9-97.6-16.1000113.1E357E357-D359 PolarHBondContact O-N 2.86Å
360T32.6Very low51.4Low112 Ų112104.1 Ų104.169%0.68756%0.557SS**THydrogen-bonded Turntrans-132.840.3-175.3610000113.5D358D358-T360 PolarHBondContact O-N 2.9Å
361N32Very low48.2Very low126 Ų126112.5 Ų112.567%0.67460%0.596SS**  trans-151.161.5162.5-103.3-18.4000113.3E363N361-E363 PolarHBondContact O-N 3.01Å
362E28.9Very low44.7Very low200 Ų200118.6 Ų118.694%0.93563%0.633SS**  trans-84.432.9156.7-73.8-163.5158.800112.7
363E31.8Very low41.3Very low172 Ų172123.8 Ų123.880%0.80467%0.67SS**  trans-131.658.7166.2-76.4-165.5172.400111N361N361-E363 PolarHBondContact O-N 3.01Å
364Q33.7Very low38.2Very low178 Ų178129.8 Ų129.883%0.83271%0.707SS**  trans-157.952.6156.5-114.5161.965.400112.4
365T24.7Very low35Very low124 Ų124135.2 Ų135.276%0.76173%0.734SS**SBendtrans-131.7126152.849.80000110.2
366T22.8Very low32.1Very low118 Ų118141.6 Ų141.672%0.72477%0.767SS**  trans68.4109.8168.260.30000118.1
367F25.8Very low30.3Very low196 Ų196145.2 Ų145.286%0.8679%0.786SS**  -17714191.2-100.5-80.5000112.7
368T20.5Very low28.9Very low119 Ų119141.1 Ų141.173%0.7378%0.784SS**  trans-65.7148.4172.731.40000114.9
369N21.1Very low28Very low157 Ų157143.3 Ų143.384%0.8480%0.795SS**  trans57.8115.9149.3-86.3-10.5000120.3
370S27.1Very low27.7Very low125 Ų125141.2 Ų141.287%0.87479%0.794SS**  -177.1151.7113.632.10000112.4
371Q27.2Very low27.5Very low179 Ų179141.7 Ų141.784%0.83680%0.797SS**  trans-83.5154.1-169.6-74176.3-59.800115.1
372T23Very low27.9Very low129 Ų129141 Ų14179%0.79180%0.799SS**  trans52.6121.4143.8560000120.8
373S24.7Very low27.8Very low123 Ų123141.2 Ų141.286%0.8680%0.797SS**  -161.6138.9125.843.90000111.1
374T30.2Very low27.6Very low125 Ų125140.9 Ų140.977%0.76780%0.796SS**  trans-73.8144.6173.539.70000111.5
375E25.9Very low27.2Very low191 Ų191137.5 Ų137.589%0.89378%0.783SS**  160.4119.8128.9-86.1172.6-163.100110.8
376D27.3Very low27.6Very low146 Ų146137.7 Ų137.778%0.78179%0.79SS**  trans-103.3142.7156.5-174.733.2000105.4
377P39.7Very low27.8Very low121 Ų121137.8 Ų137.879%0.78678%0.782SS**  -151155.187.534.2-13.5000116
378G28Very low27.9Very low61 Ų61138 Ų13863%0.62979%0.785SS**  128.187.5129.200000118.8
379D25.9Very low28Very low143 Ų143138.7 Ų138.777%0.76578%0.779SS**  54.4112.8119.1-153.516.8000120.8
380S28.9Very low28.4Very low121 Ų121137.8 Ų137.885%0.84678%0.783SS**  -171.5142.8120.220.50000112
381T28.4Very low28.1Very low121 Ų121139.8 Ų139.874%0.74278%0.776SS**  trans-98.9-163.6-161.359.50000112.6
382P39.8Very low28.2Very low111 Ų111136.5 Ų136.572%0.72177%0.773SS**  -118.8175.9-117.625.20.7000113.3
383F27.5Very low28.4Very low206 Ų206134.6 Ų134.690%0.90477%0.77SS**  trans-128.6113.6162.6-94.7-81.5000111
384E28.1Very low28.6Very low164 Ų164137.6 Ų137.677%0.76677%0.771SS**  trans-31.4156.8144.1-68.1170.1160.300113.1
385D24.6Very low28.6Very low108 Ų108136.3 Ų136.358%0.57877%0.773SS**  cis-168.1147.512.5-114.5-22.8000107.4
386S32.5Very low28.7Very low128 Ų128135.4 Ų135.490%0.89577%0.774SS**  trans-16588141.450.90000108.6
387E27.7Very low28.9Very low120 Ų120133.4 Ų133.456%0.56177%0.772SS**  trans-84122.1173.620.9174.5-16100109.5F389E387-F389 HydrophobicContact CB-CD2 4.46Å; E387-F389 HydrophobicContact CB-CE2 4.32Å; E387-F389 WeakPolarHBondContact OE2-CE2 3.4Å
388E27.3Very low28.3Very low199 Ų199137.4 Ų137.493%0.9378%0.777SS**  trans-114.4111.7155.6-79.3-165.2172.800109.2
389F23.8Very low28.5Very low135 Ų135142.4 Ų142.459%0.59279%0.789SS**  trans-68.5133.3178-83.4-100.8000111.8E387 F391E387-F389 HydrophobicContact CB-CD2 4.46Å; E387-F389 HydrophobicContact CB-CE2 4.32Å; E387-F389 WeakPolarHBondContact OE2-CE2 3.4Å; F389-F391 HydrophobicContact CB-CD2 4.05Å; F389-F391 HydrophobicContact CB-CE2 3.85Å; F389-F391 AromaticContact CD1-CD2 3.96Å; F389-F391 HydrophobicContact CD1-CD2 3.96Å; F389-F391 HydrophobicContact CD1-CE1 4.06Å; F389-F391 AromaticContact CD1-CE2 3.24Å; F389-F391 HydrophobicContact CD1-CE2 3.24Å; F389-F391 AromaticContact CD1-CZ 3.3Å; F389-F391 HydrophobicContact CD1-CZ 3.3Å; F389-F391 HydrophobicContact CE1-CE1 4.24Å; F389-F391 AromaticContact CE1-CE2 3.96Å; F389-F391 HydrophobicContact CE1-CE2 3.96Å; F389-F391 AromaticContact CE1-CZ 3.55Å; F389-F391 HydrophobicContact CE1-CZ 3.55Å; F389-F391 HydrophobicContact CG-CD2 4.42Å; F389-F391 AromaticContact CG-CE2 3.78Å; F389-F391 HydrophobicContact CG-CE2 3.78Å; F389-F391 HydrophobicContact CG-CZ 4.24Å
390C28.1Very low28.7Very low137 Ų137138.3 Ų138.393%0.92678%0.781SS**  trans-122.998.5155.2-142.70000108.6
391F22.4Very low28.8Very low167 Ų167140.1 Ų140.173%0.73278%0.781SS**  trans-71.7123.8175.4-74.1-86.9000110.5F389F389-F391 HydrophobicContact CB-CD2 4.05Å; F389-F391 HydrophobicContact CB-CE2 3.85Å; F389-F391 AromaticContact CD1-CD2 3.96Å; F389-F391 HydrophobicContact CD1-CD2 3.96Å; F389-F391 HydrophobicContact CD1-CE1 4.06Å; F389-F391 AromaticContact CD1-CE2 3.24Å; F389-F391 HydrophobicContact CD1-CE2 3.24Å; F389-F391 AromaticContact CD1-CZ 3.3Å; F389-F391 HydrophobicContact CD1-CZ 3.3Å; F389-F391 HydrophobicContact CE1-CE1 4.24Å; F389-F391 AromaticContact CE1-CE2 3.96Å; F389-F391 HydrophobicContact CE1-CE2 3.96Å; F389-F391 AromaticContact CE1-CZ 3.55Å; F389-F391 HydrophobicContact CE1-CZ 3.55Å; F389-F391 HydrophobicContact CG-CD2 4.42Å; F389-F391 AromaticContact CG-CE2 3.78Å; F389-F391 HydrophobicContact CG-CE2 3.78Å; F389-F391 HydrophobicContact CG-CZ 4.24Å
392S28.5Very low29.5Very low110 Ų110142.8 Ų142.877%0.76979%0.791SS**  trans-148.1102.3135.438.40000108.2
393A27Very low29.3Very low89 Ų89146.4 Ų146.474%0.73680%0.798SS**  trans-64.6165.2171.700000110.9
394E30.1Very low29.9Very low186 Ų186145.4 Ų145.487%0.86979%0.794SS**  trans90.970.6177.1-53179.8-17200115.9
395A28.8Very low30.4Very low98 Ų98145.6 Ų145.681%0.8180%0.8SS**  trans-165.857.1133.600000110.7
396N28.2Very low31.1Very low172 Ų172145.7 Ų145.792%0.9281%0.805SS**  trans-95.394.5161.3-934.3000108.2
397S31.4Very low31.7Very low104 Ų104147.4 Ų147.473%0.72779%0.793SS**  trans-170.292.1146.259.70000108.9
398F27.5Very low32.2Very low205 Ų205145.8 Ų145.890%0.89979%0.788SS**  trans-172.288137.9-111.3-79.3000106.9
399D32.6Very low33.1Very low166 Ų166143.4 Ų143.489%0.88878%0.777SS**  trans-69.1134147.7-84.8-34.9000106.7
400G30.6Very low34.1Very low57 Ų57143.7 Ų143.759%0.58879%0.785SS**  trans17571-177.100000110.9
401D30.8Very low34.8Very low159 Ų159143.3 Ų143.385%0.8577%0.773SS**  trans50.7123130.7-38.4-9.1000118.7E403D401-E403 PolarHBondContact O-N 2.98Å
402D42.4Very low36Very low177 Ų177140.9 Ų140.995%0.94776%0.764SS**  trans-57.1107.4172-62-57.9000112.8
403E36.2Very low36.6Very low188 Ų188141.8 Ų141.888%0.87976%0.756SS**  trans-144.2135.2151.3-157.3164-169.400110.8D401 D405D401-E403 PolarHBondContact O-N 2.98Å; E403-D405 PolarHBondContact O-N 3.22Å
404F39.1Very low37.2Very low184 Ų184142.7 Ų142.781%0.80775%0.749SS**  trans-82.1101-166.4-163.3-90.7000109.9T406F404-T406 PolarHBondContact O-N 3.14Å
405D38.9Very low37.6Very low168 Ų168141.6 Ų141.690%0.89874%0.744SS**  trans-69.497.1169.3-86-23.2000109.7E403 Y407E403-D405 PolarHBondContact O-N 3.22Å; D405-Y407 PolarHBondContact O-N 3.08Å
406T39.4Very low38.1Very low110 Ų110141.1 Ų141.168%0.67573%0.734SS**PPolyproline II helixtrans-65.8117.8169.7-56.40000107.6F404 N408F404-T406 PolarHBondContact O-N 3.14Å; T406-N408 PolarHBondContact O-N 2.71Å; T406-N408 VanDerWaalsContact O-N 3.17Å
407Y45.1Very low38.1Very low164 Ų164140.3 Ų140.364%0.64373%0.725SS**PPolyproline II helixtrans-56.6118.5176.6-175.1-99.8000110.1D405 E409D405-Y407 PolarHBondContact O-N 3.08Å; Y407-E409 HydrophobicContact CD1-CG 4.18Å; Y407-E409 HydrophobicContact CE1-CG 3.8Å
408N38.8Very low38.1Very low86 Ų86139.1 Ų139.146%0.4671%0.713SS.*PPolyproline II helixtrans-103118.9176.5-158.719.7000108.5T406 D410 D411T406-N408 PolarHBondContact O-N 2.71Å; T406-N408 VanDerWaalsContact O-N 3.17Å; N408-D410 PolarHBondContact O-N 2.88Å; N408-D411 PolarHBondContact O-N 2.64Å
409E46.4Very low38.2Very low150 Ų150130.8 Ų130.870%0.70169%0.685SS**G310 helixtrans-69.2-12.5178.4-73.2-176.4175.300112.6Y407 D411 E412Y407-E409 HydrophobicContact CD1-CG 4.18Å; Y407-E409 HydrophobicContact CE1-CG 3.8Å; E409-D411 VanDerWaalsContact C-N 3.3Å; E409-D411 PolarHBondContact O-N 2.82Å; E409-E412 WeakPolarHBondContact O-CG 3.29Å
410D44Very low38Very low141 Ų141132.4 Ų132.475%0.75468%0.681SS**G310 helixtrans-80.1-5.1179.5-67.9-29.7000114N408N408-D410 PolarHBondContact O-N 2.88Å
411D42.3Very low37.7Very low129 Ų129139.3 Ų139.369%0.6969%0.689SS**G310 helixtrans-95.817.5176-68.3-25.2000113N408 E409 E413N408-D411 PolarHBondContact O-N 2.64Å; E409-D411 VanDerWaalsContact C-N 3.3Å; E409-D411 PolarHBondContact O-N 2.82Å; D411-E413 PolarHBondContact O-N 3.08Å
412E48.5Very low37.6Very low116 Ų116137.5 Ų137.554%0.54268%0.678SS.*  trans-64.385.2163-67.5-97.4158.900108.2E409 D414E409-E412 WeakPolarHBondContact O-CG 3.29Å; E412-D414 PolarHBondContact O-N 2.81Å
413E40.4Very low36.9Very low129 Ų129135.8 Ų135.860%0.60367%0.674SS**  trans-50.2127.3162-88-178.9165.900107.8D411 E415D411-E413 PolarHBondContact O-N 3.08Å; E413-E415 PolarHBondContact O-N 3.3Å
414D40.1Very low36.8Very low108 Ų108130.2 Ų130.258%0.57866%0.655SS**  trans-43.2117.4176.4-175.33.9000109.4E412 S416 E417E412-D414 PolarHBondContact O-N 2.81Å; D414-S416 PolarHBondContact O-N 3.45Å; D414-S416 WeakPolarHBondContact OD1-CB 3.23Å; D414-S416 PolarHBondContact OD1-N 3.22Å; D414-S416 PolarHBondContact OD1-OG 3.04Å; D414-S416 PolarHBondContact OD2-OG 2.96Å; D414-E417 PolarHBondContact O-N 3.2Å
415E37.6Very low36.6Very low162 Ų162124.4 Ų124.476%0.75764%0.637SS**THydrogen-bonded Turntrans-58.6-1.4179.7-68.1-171.3152.900112.5E413E413-E415 PolarHBondContact O-N 3.3Å
416S39.1Very low36.5Very low88 Ų88122.8 Ų122.862%0.61564%0.635SS**THydrogen-bonded Turntrans-75.7-16.9168.782.80000115.1D414D414-S416 PolarHBondContact O-N 3.45Å; D414-S416 WeakPolarHBondContact OD1-CB 3.23Å; D414-S416 PolarHBondContact OD1-N 3.22Å; D414-S416 PolarHBondContact OD1-OG 3.04Å; D414-S416 PolarHBondContact OD2-OG 2.96Å
417E29.2Very low36.5Very low156 Ų156123.2 Ų123.273%0.72964%0.638SS**SBendtrans-108.6-12.8-172.5-64.1-160.6158.800115.6D414 G419D414-E417 PolarHBondContact O-N 3.2Å; E417-G419 PolarHBondContact O-N 2.92Å
418T30.3Very low36.5Very low78 Ų78118 Ų11848%0.47962%0.624SS.*  trans-96.474.7-174.156.20000113.5
419G29.5Very low36.6Very low30 Ų30119.6 Ų119.631%0.30963%0.633SS.*PPolyproline II helixtrans-69.9138.2166.200000112.4E417 W421E417-G419 PolarHBondContact O-N 2.92Å; G419-W421 PolarHBondContact O-N 3.47Å; G419-W421 PolarHBondContact O-NE1 3.2Å
420Y29.1Very low36.4Very low201 Ų201115.7 Ų115.779%0.78862%0.62SS**PPolyproline II helixtrans-67.5127.6172.4-64.3-90.1000110.7
421W25Very low36.3Very low201 Ų201112.5 Ų112.576%0.76160%0.603SS**PPolyproline II helixtrans-92.3121.9177-54.890.9000110.5G419G419-W421 PolarHBondContact O-N 3.47Å; G419-W421 PolarHBondContact O-NE1 3.2Å
422I28.7Very low36Very low122 Ų122112.4 Ų112.463%0.62660%0.601SS**  trans-132.6124.8163-60.7177.1000107.3
423T27.4Very low35.5Very low140 Ų140113.5 Ų113.586%0.85961%0.61SS**PPolyproline II helixtrans-71132.1175.317.90000110.7
424C33.8Very low35.5Very low72 Ų72111 Ų11149%0.48660%0.604SS.*PPolyproline II helixtrans-65.6141.1178.3-1710000111.7
425C35.4Very low35.5Very low62 Ų62114.4 Ų114.442%0.41961%0.609SS.*PPolyproline II helixtrans-76.9140.1175.4-173.90000110.9T427 C428C425-T427 PolarHBondContact O-N 3.18Å; C425-T427 PolarHBondContact SG-OG1 3.37Å; C425-C428 PolarHBondContact O-N 3.44Å
426P37.4Very low35.4Very low133 Ų133112.3 Ų112.386%0.86461%0.607SS**THydrogen-bonded Turntrans-60.8-7.7178.5-22.832.3000116.2
427T39.2Very low35.3Very low120 Ų120110.1 Ų110.174%0.73659%0.59SS**THydrogen-bonded Turntrans-109.717.8-172.8610000114.1C425 D429C425-T427 PolarHBondContact O-N 3.18Å; C425-T427 PolarHBondContact SG-OG1 3.37Å; T427-D429 PolarHBondContact O-N 3.2Å
428C44.8Very low35.6Very low53 Ų53109.2 Ų109.236%0.35858%0.584SS.*  trans-77.5115.1-179.5-1700000111.3C425 C451C425-C428 PolarHBondContact O-N 3.44Å; C428-C451 PolarHBondContact SG-SG 3.31Å
429D40.9Very low36Very low121 Ų121112.5 Ų112.565%0.64759%0.589SS**  trans-117.5110.8176.2-162.813.9000110.2T427 C451 S452T427-D429 PolarHBondContact O-N 3.2Å; D429-C451 PolarHBondContact O-SG 2.84Å; D429-S452 PolarHBondContact O-OG 3.28Å
430V42.6Very low36.3Very low68 Ų68113.7 Ų113.741%0.41259%0.593SS.*  trans-97.9117.3-169178.50000110.8I432V430-I432 PolarHBondContact O-N 3.43Å
431D40.6Very low36.8Very low74 Ų74111 Ų11140%0.39660%0.597SS.*  trans-74116.8168.3-174.1-7.3000111.1N433 T434 S452D431-N433 PolarHBondContact O-N 2.75Å; D431-N433 PolarHBondContact OD1-N 2.67Å; D431-N433 PolarHBondContact OD1-ND2 3.21Å; D431-T434 PolarHBondContact O-N 2.82Å; D431-T434 PolarHBondContact O-OG1 2.98Å; D431-T434 VanDerWaalsContact O-OG1 3.08Å; D431-S452 WeakPolarHBondContact CB-OG 3.48Å; D431-S452 PolarHBondContact N-OG 2.73Å
432I36.4Very low37.6Very low127 Ų127110.1 Ų110.165%0.65160%0.601SS**THydrogen-bonded Turntrans-69.8-14.8-173.7-64.8163.7000112.7V430V430-I432 PolarHBondContact O-N 3.43Å
433N38Very low38.1Very low139 Ų139109.8 Ų109.874%0.74360%0.601SS**THydrogen-bonded Turntrans-91.6-11.6-177.1-62.3-58000114.5D431D431-N433 PolarHBondContact O-N 2.75Å; D431-N433 PolarHBondContact OD1-N 2.67Å; D431-N433 PolarHBondContact OD1-ND2 3.21Å
434T39.9Very low38.7Very low75 Ų75111.1 Ų111.146%0.4660%0.603SS.*SBendtrans-101.414-177.133.70000114.5D431 V436D431-T434 PolarHBondContact O-N 2.82Å; D431-T434 PolarHBondContact O-OG1 2.98Å; D431-T434 VanDerWaalsContact O-OG1 3.08Å; T434-V436 PolarHBondContact O-N 3.22Å
435W41Very low38.7Very low181 Ų181113 Ų11369%0.68660%0.603SS**  trans-68118-178.5-179.776.3000112.8P437W435-P437 HydrophobicContact CH2-CG 3.89Å; W435-P437 HydrophobicContact CZ2-CB 4.16Å; W435-P437 HydrophobicContact CZ2-CG 3.9Å; W435-P437 HydrophobicContact CZ3-CG 4.42Å
436V35.4Very low38.6Very low118 Ų118114.5 Ų114.572%0.71561%0.611SS**  trans-134.2118.4166.9-170.30000109.1T434T434-V436 PolarHBondContact O-N 3.22Å
437P37.3Very low38.6Very low42 Ų42110.8 Ų110.827%0.27359%0.592SS.*  trans-71.8131.3175.625.6-29.2000111W435 Y439W435-P437 HydrophobicContact CH2-CG 3.89Å; W435-P437 HydrophobicContact CZ2-CB 4.16Å; W435-P437 HydrophobicContact CZ2-CG 3.9Å; W435-P437 HydrophobicContact CZ3-CG 4.42Å; P437-Y439 HydrophobicContact CB-CE2 4.23Å; P437-Y439 HydrophobicContact CG-CE2 4.31Å
438F35.3Very low38.5Very low137 Ų137108.8 Ų108.860%0.60158%0.575SS**  trans-106.1135.2173.6-169-78.5000109.6M448F438-M448 HydrophobicContact CB-CE 3.4Å; F438-M448 VanDerWaalsContact CB-CE 3.4Å; F438-M448 HydrophobicContact CD1-CE 3.16Å; F438-M448 HydrophobicContact CD2-CE 4.38Å; F438-M448 HydrophobicContact CE1-CE 3.97Å; F438-M448 HydrophobicContact CG-CE 3.39Å
439Y38.8Very low38.1Very low146 Ų146110.5 Ų110.557%0.57358%0.58SS**  trans-110.4124.2-177.1-61.3-88.9000108.5P437P437-Y439 HydrophobicContact CB-CE2 4.23Å; P437-Y439 HydrophobicContact CG-CE2 4.31Å
440S35.3Very low37.8Very low56 Ų56112.5 Ų112.539%0.39258%0.579SS.*  trans-77.6140.816978.30000109E442S440-E442 PolarHBondContact O-N 3.17Å
441T40Very low37.5Very low145 Ų145109.9 Ų109.989%0.8956%0.564SS**THydrogen-bonded Turntrans-77.63.9-175.344.50000114.4
442E40.7Very low37.3Very low181 Ų181108.4 Ų108.485%0.84656%0.56SS**THydrogen-bonded Turntrans-113.2-11.7179.1-69.3-172.1171.800113.9S440S440-E442 PolarHBondContact O-N 3.17Å
443L40.4Very low37.2Very low116 Ų116109 Ų10961%0.60756%0.559SS**  trans-139.5108.6173.4-65.4167.6000106.6K445L443-K445 PolarHBondContact O-N 3.43Å
444N38.3Very low37.1Very low168 Ų168106.1 Ų106.190%0.89856%0.562SS**  trans-65.356.5170.9-84.6-25.9000111.2
445K35.3Very low36.9Very low112 Ų112108.8 Ų108.849%0.48757%0.574SS.*SBendtrans-135136.8177.8-63.9-166.8-176.5-170.30108.9L443 A447 E468L443-K445 PolarHBondContact O-N 3.43Å; K445-A447 PolarHBondContact O-N 3.35Å; K445-E468 IonicContact NZ-OE1 2.73Å; K445-E468 PolarHBondContact NZ-OE1 3.31Å
446P33.7Very low36.6Very low92 Ų92102 Ų10260%0.59756%0.56SS**  trans-71.7124.3176.729-31.5000109.6
447A36.5Very low36.5Very low55 Ų55102.1 Ų102.146%0.45555%0.552SS.*  trans-130.13.6-173.100000115.9K445K445-A447 PolarHBondContact O-N 3.35Å
448M37.4Very low36.6Very low78 Ų78108.7 Ų108.738%0.38457%0.572SS.*  trans-140.4138.5-169.8-54.5-158.6-5300115.1F438 W458F438-M448 HydrophobicContact CB-CE 3.4Å; F438-M448 VanDerWaalsContact CB-CE 3.4Å; F438-M448 HydrophobicContact CD1-CE 3.16Å; F438-M448 HydrophobicContact CD2-CE 4.38Å; F438-M448 HydrophobicContact CE1-CE 3.97Å; F438-M448 HydrophobicContact CG-CE 3.39Å; M448-W458 HydrophobicContact SD-CE3 4.23Å; M448-W458 HydrophobicContact SD-CZ3 3.62Å
449I36.7Very low36.6Very low90 Ų90104.1 Ų104.146%0.46256%0.555SS.*  trans-124.9138.8171.7-58.2175.3000107.8
450Y35.1Very low36.4Very low162 Ų162102 Ų10264%0.63555%0.551SS**  trans-101.9130.7175.7-156-97.2000110
451C34.8Very low36.5Very low14 Ų14102 Ų10210%0.09555%0.554CS.*  trans-98.9139.9171.5-173.80000109.7C428 D429 H453C428-C451 PolarHBondContact SG-SG 3.31Å; D429-C451 PolarHBondContact O-SG 2.84Å; C451-H453 VanDerWaalsContact C-N 3.33Å; C451-H453 PolarHBondContact O-N 3.36Å
452S36.9Very low36.3Very low43 Ų43101 Ų10130%0.30154%0.539SS..SBendtrans-86.120.6-161.147.70000115.9D429 D431D429-S452 PolarHBondContact O-OG 3.28Å; D431-S452 WeakPolarHBondContact CB-OG 3.48Å; D431-S452 PolarHBondContact N-OG 2.73Å
453H35.2Very low36.1Very low139 Ų13996.5 Ų96.564%0.64453%0.526SS*.SBendtrans-127.6102.1173.7-77.894.4000111.5C451 D455C451-H453 VanDerWaalsContact C-N 3.33Å; C451-H453 PolarHBondContact O-N 3.36Å; H453-D455 PolarHBondContact O-N 3.43Å
454G35.7Very low36.1Very low78 Ų7895.8 Ų95.880%0.80452%0.521SS*.SBendtrans64.5-50.9150.200000118.6
455D36.3Very low36.3Very low132 Ų13295.4 Ų95.471%0.70652%0.519SS*.SBendtrans-128.698.6-176.6-64.6-42000107.6H453 H457H453-D455 PolarHBondContact O-N 3.43Å; D455-H457 PolarHBondContact O-N 3.37Å
456G33.4Very low36.7Very low39 Ų3993.8 Ų93.840%0.40252%0.515SS..  trans-63.3133.9-17700000112.3
457H33.3Very low37.3Very low119 Ų11991.8 Ų91.855%0.55151%0.507SS*.  trans-111.7145.6172.3-66.1-60.3000111.9D455D455-H457 PolarHBondContact O-N 3.37Å
458W38.8Very low37.7Very low181 Ų18194.5 Ų94.569%0.68651%0.51SS*.  trans-85.8135.5-178.7-44.899.9000111.4M448M448-W458 HydrophobicContact SD-CE3 4.23Å; M448-W458 HydrophobicContact SD-CZ3 3.62Å
459V35.7Very low38.1Very low41 Ų41100.7 Ų100.725%0.24853%0.529CS..  trans-136.9130.1173-164.80000111C463V459-C463 HydrophobicContact CG1-CB 4.13Å
460H34.7Very low38.5Very low102 Ų10299 Ų9947%0.47252%0.523SS..  trans-94.6155.1-177-144.2-140000112.5Q462 C463H460-Q462 PolarHBondContact O-N 3.34Å; H460-C463 PolarHBondContact O-N 3.29Å
461A38Very low39.1Very low55 Ų5594.1 Ų94.146%0.45551%0.507SS..G310 helixtrans-59.6-12.1-172.900000116.1C463 M464 L471A461-C463 VanDerWaalsContact C-N 3.26Å; A461-C463 PolarHBondContact O-N 3.18Å; A461-M464 PolarHBondContact O-N 3.38Å; A461-L471 HydrophobicContact CB-CD1 4.02Å
462Q34.6Very low39.4Very low124 Ų12498.5 Ų98.558%0.57953%0.529SS*.G310 helixtrans-75.3-14.8178.9-137.9158.8000113.4H460 M464H460-Q462 PolarHBondContact O-N 3.34Å; Q462-M464 PolarHBondContact O-N 3Å
463C38.3Very low39.7Very low86 Ų86103.5 Ų103.558%0.58155%0.547SS*.G310 helixtrans-71.5-5174.3-650000113.7V459 H460 A461V459-C463 HydrophobicContact CG1-CB 4.13Å; H460-C463 PolarHBondContact O-N 3.29Å; A461-C463 VanDerWaalsContact C-N 3.26Å; A461-C463 PolarHBondContact O-N 3.18Å
464M38.9Very low40Very low102 Ų10298.7 Ų98.750%0.50253%0.526SS..G310 helixtrans-115.3-1.5-179.1-68.3-82.9178.100113.8A461 Q462 L466 C483A461-M464 PolarHBondContact O-N 3.38Å; Q462-M464 PolarHBondContact O-N 3Å; M464-L466 HydrophobicContact CB-CD1 4.17Å; M464-L466 HydrophobicContact CB-CG 4.22Å; M464-L466 PolarHBondContact O-N 3.08Å; M464-C483 HydrophobicContact CE-CB 3.71Å; M464-C483 HydrophobicContact SD-CB 3.39Å; M464-C483 WeakPolarHBondContact SD-CB 3.36Å
465D43.2Very low40.2Very low160 Ų16098.8 Ų98.886%0.85651%0.514SS*.THydrogen-bonded Turntrans53.635178.3-138.714.2000114.1
466L44.2Very low40.2Very low77 Ų7796.7 Ų96.740%0.40352%0.515SS..  trans-102.3130.4-178.5-68.7174.6000111.5M464 L471 L474M464-L466 HydrophobicContact CB-CD1 4.17Å; M464-L466 HydrophobicContact CB-CG 4.22Å; M464-L466 PolarHBondContact O-N 3.08Å; L466-L471 HydrophobicContact CB-CD2 4.24Å; L466-L471 HydrophobicContact CB-CG 4.22Å; L466-L471 HydrophobicContact CD1-CD2 3.99Å; L466-L474 HydrophobicContact CD1-CD1 4.22Å
467A46.5Very low40.4Very low51 Ų5196.7 Ų96.742%0.42152%0.515SS..  trans-64.5142.7172.900000112.1R469 T470 L471A467-R469 VanDerWaalsContact C-N 3.3Å; A467-R469 HydrophobicContact CB-CG 4.32Å; A467-R469 PolarHBondContact O-N 3.45Å; A467-T470 WeakPolarHBondContact O-CA 3.15Å; A467-T470 WeakPolarHBondContact O-CB 3.14Å; A467-T470 PolarHBondContact O-N 3.49Å; A467-T470 PolarHBondContact O-OG1 3.25Å; A467-L471 PolarHBondContact O-N 3.29Å
468E43.2Very low40.4Very low111 Ų11197.1 Ų97.152%0.51953%0.532SS..Hα-helixtrans-54.2-40.9-175-171.7178-166.600113.5K445 T470 L471 I472K445-E468 IonicContact NZ-OE1 2.73Å; K445-E468 PolarHBondContact NZ-OE1 3.31Å; E468-T470 PolarHBondContact O-N 3.16Å; E468-L471 PolarHBondContact O-N 3.2Å; E468-L471 VanDerWaalsContact O-N 3.16Å; E468-I472 HydrophobicContact CG-CD1 4.33Å; E468-I472 WeakPolarHBondContact O-CG1 3.42Å; E468-I472 PolarHBondContact O-N 3.41Å
469R46.6Very low40.3Very low208 Ų20893.8 Ų93.879%0.78553%0.527SS*.Hα-helixtrans-58.3-31.8174.966.8-178-179.5-169.8-2.4113.3A467 H473A467-R469 VanDerWaalsContact C-N 3.3Å; A467-R469 HydrophobicContact CB-CG 4.32Å; A467-R469 PolarHBondContact O-N 3.45Å; R469-H473 PolarHBondContact O-N 2.94Å
470T45.3Very low40.3Very low54 Ų5499.1 Ų99.133%0.33155%0.547SS..Hα-helixtrans-75.6-42.5179.8-48.10000109.4A467 E468 I472 H473 L474A467-T470 WeakPolarHBondContact O-CA 3.15Å; A467-T470 WeakPolarHBondContact O-CB 3.14Å; A467-T470 PolarHBondContact O-N 3.49Å; A467-T470 PolarHBondContact O-OG1 3.25Å; E468-T470 PolarHBondContact O-N 3.16Å; T470-I472 VanDerWaalsContact C-N 3.34Å; T470-I472 PolarHBondContact O-N 2.88Å; T470-H473 PolarHBondContact O-N 3.14Å; T470-H473 VanDerWaalsContact O-N 3.14Å; T470-L474 HydrophobicContact CG2-CD1 4.01Å; T470-L474 HydrophobicContact CG2-CG 4.32Å; T470-L474 WeakPolarHBondContact O-CB 3.44Å; T470-L474 WeakPolarHBondContact O-CG 3.47Å; T470-L474 PolarHBondContact O-N 3.42Å
471L46.7Very low40.5Very low60 Ų60100.1 Ų100.131%0.31455%0.547SS..Hα-helixtrans-60.4-41.8175.6-68.5168.4000112.2A461 L466 A467 E468 H473 L474 S475A461-L471 HydrophobicContact CB-CD1 4.02Å; L466-L471 HydrophobicContact CB-CD2 4.24Å; L466-L471 HydrophobicContact CB-CG 4.22Å; L466-L471 HydrophobicContact CD1-CD2 3.99Å; A467-L471 PolarHBondContact O-N 3.29Å; E468-L471 PolarHBondContact O-N 3.2Å; E468-L471 VanDerWaalsContact O-N 3.16Å; L471-H473 VanDerWaalsContact C-N 3.33Å; L471-H473 PolarHBondContact O-N 3.23Å; L471-L474 PolarHBondContact O-N 3.07Å; L471-S475 WeakPolarHBondContact O-CB 3.49Å; L471-S475 PolarHBondContact O-N 3.04Å
472I41.7Very low40.5Very low107 Ų107104.5 Ų104.555%0.54955%0.553SS.*Hα-helixtrans-61.8-42.2175.1-65.6169.3000110.7E468 T470 S475E468-I472 HydrophobicContact CG-CD1 4.33Å; E468-I472 WeakPolarHBondContact O-CG1 3.42Å; E468-I472 PolarHBondContact O-N 3.41Å; T470-I472 VanDerWaalsContact C-N 3.34Å; T470-I472 PolarHBondContact O-N 2.88Å; I472-S475 PolarHBondContact O-N 3.49Å; I472-S475 PolarHBondContact O-OG 3.36Å
473H43.3Very low40.6Very low148 Ų14899.9 Ų99.969%0.68553%0.534SS*.Hα-helixtrans-67.3-39.7177-167.469.1000113.1R469 T470 L471 S475 A476R469-H473 PolarHBondContact O-N 2.94Å; T470-H473 PolarHBondContact O-N 3.14Å; T470-H473 VanDerWaalsContact O-N 3.14Å; L471-H473 VanDerWaalsContact C-N 3.33Å; L471-H473 PolarHBondContact O-N 3.23Å; H473-S475 VanDerWaalsContact C-N 3.29Å; H473-S475 PolarHBondContact O-N 3.5Å; H473-A476 PolarHBondContact O-N 2.99Å
474L42.2Very low40.5Very low38 Ų38102.9 Ų102.920%0.19955%0.545CS..Hα-helixtrans-67.5-30.7177.1-63.9169000111.7L466 T470 L471 A476 Y481L466-L474 HydrophobicContact CD1-CD1 4.22Å; T470-L474 HydrophobicContact CG2-CD1 4.01Å; T470-L474 HydrophobicContact CG2-CG 4.32Å; T470-L474 WeakPolarHBondContact O-CB 3.44Å; T470-L474 WeakPolarHBondContact O-CG 3.47Å; T470-L474 PolarHBondContact O-N 3.42Å; L471-L474 PolarHBondContact O-N 3.07Å; L474-A476 VanDerWaalsContact C-N 3.27Å; L474-A476 PolarHBondContact O-N 2.85Å; L474-Y481 HydrophobicContact CB-CD2 4.06Å; L474-Y481 HydrophobicContact CB-CE2 3.72Å; L474-Y481 HydrophobicContact CD2-CD1 3.5Å; L474-Y481 VanDerWaalsContact CD2-CD1 3.5Å; L474-Y481 HydrophobicContact CD2-CD2 3.98Å; L474-Y481 HydrophobicContact CD2-CE1 3.13Å; L474-Y481 HydrophobicContact CD2-CE2 3.67Å; L474-Y481 HydrophobicContact CD2-CG 3.89Å; L474-Y481 HydrophobicContact CG-CD2 4.47Å; L474-Y481 HydrophobicContact CG-CE1 4.43Å; L474-Y481 HydrophobicContact CG-CE2 4.26Å; L474-Y481 WeakPolarHBondContact O-CE2 3.45Å
475S39.8Very low40.5Very low80 Ų80106.2 Ų106.256%0.55956%0.559SS**Hα-helixtrans-72.1-15.9177780000114.5L471 I472 H473 G477L471-S475 WeakPolarHBondContact O-CB 3.49Å; L471-S475 PolarHBondContact O-N 3.04Å; I472-S475 PolarHBondContact O-N 3.49Å; I472-S475 PolarHBondContact O-OG 3.36Å; H473-S475 VanDerWaalsContact C-N 3.29Å; H473-S475 PolarHBondContact O-N 3.5Å; S475-G477 VanDerWaalsContact C-N 3.33Å; S475-G477 PolarHBondContact O-N 2.92Å
476A36.8Very low40.3Very low87 Ų87103.5 Ų103.572%0.71954%0.541SS*.THydrogen-bonded Turntrans-84.8-2.6-175.100000114H473 L474H473-A476 PolarHBondContact O-N 2.99Å; L474-A476 VanDerWaalsContact C-N 3.27Å; L474-A476 PolarHBondContact O-N 2.85Å
477G36Very low40Very low39 Ų39102.5 Ų102.540%0.40254%0.538SS..SBendtrans-131.9154.6-179.700000113.1S475 N479S475-G477 VanDerWaalsContact C-N 3.33Å; S475-G477 PolarHBondContact O-N 2.92Å; G477-N479 PolarHBondContact O-N 3.19Å; G477-N479 VanDerWaalsContact O-N 3.07Å
478S34.3Very low39.6Very low128 Ų128107.8 Ų107.890%0.89555%0.554SS**SBendtrans-8028.5175.752.50000113.7
479N36.2Very low39.5Very low112 Ų112107.9 Ų107.960%0.59956%0.557SS**  trans-90.9140.9-179.4-73.1-25.6000110.3G477 Y481G477-N479 PolarHBondContact O-N 3.19Å; G477-N479 VanDerWaalsContact O-N 3.07Å; N479-Y481 HydrophobicContact CB-CE1 4.31Å; N479-Y481 HydrophobicContact CB-CE2 4.06Å; N479-Y481 WeakPolarHBondContact O-CD2 3.27Å; N479-Y481 WeakPolarHBondContact O-CE2 3.2Å
480K36.4Very low39.1Very low152 Ų15299.7 Ų99.766%0.66153%0.534SS*.  trans-86135.6173.6-62.1-173.3177.5-168.60109.2
481Y38.1Very low38.7Very low123 Ų123106.8 Ų106.848%0.48255%0.554SS.*  trans-118146.1-179.2-59.6-76000110.6L474 N479L474-Y481 HydrophobicContact CB-CD2 4.06Å; L474-Y481 HydrophobicContact CB-CE2 3.72Å; L474-Y481 HydrophobicContact CD2-CD1 3.5Å; L474-Y481 VanDerWaalsContact CD2-CD1 3.5Å; L474-Y481 HydrophobicContact CD2-CD2 3.98Å; L474-Y481 HydrophobicContact CD2-CE1 3.13Å; L474-Y481 HydrophobicContact CD2-CE2 3.67Å; L474-Y481 HydrophobicContact CD2-CG 3.89Å; L474-Y481 HydrophobicContact CG-CD2 4.47Å; L474-Y481 HydrophobicContact CG-CE1 4.43Å; L474-Y481 HydrophobicContact CG-CE2 4.26Å; L474-Y481 WeakPolarHBondContact O-CE2 3.45Å; N479-Y481 HydrophobicContact CB-CE1 4.31Å; N479-Y481 HydrophobicContact CB-CE2 4.06Å; N479-Y481 WeakPolarHBondContact O-CD2 3.27Å; N479-Y481 WeakPolarHBondContact O-CE2 3.2Å
482Y37.9Very low38.2Very low148 Ų148108.1 Ų108.158%0.5857%0.574SS**  trans-119.3146.5-172.8-52.6-85.8000109.9A490Y482-A490 HydrophobicContact CD2-CB 4.39Å; Y482-A490 HydrophobicContact CE2-CB 4.47Å
483C36.6Very low37.9Very low26 Ų26109.4 Ų109.418%0.17658%0.581CS.*  trans-76.3162174840000111.6M464 E485 H486 V487M464-C483 HydrophobicContact CE-CB 3.71Å; M464-C483 HydrophobicContact SD-CB 3.39Å; M464-C483 WeakPolarHBondContact SD-CB 3.36Å; C483-E485 PolarHBondContact O-N 3.41Å; C483-H486 CarbonylContact O-C 3.57Å; C483-H486 PolarHBondContact O-N 3.3Å; C483-H486 PolarHBondContact SG-ND1 3.49Å; C483-V487 WeakPolarHBondContact O-CG2 3.34Å; C483-V487 PolarHBondContact O-N 3.47Å
484N36.3Very low37.2Very low149 Ų149111.1 Ų111.180%0.79759%0.589SS**THydrogen-bonded Turntrans-60.1-29.1-176.8-71.6-32.4000113.7
485E38.6Very low36.4Very low173 Ų173115.6 Ų115.681%0.80862%0.618SS**THydrogen-bonded Turntrans-77.5-21175.7-66.9-177157.600113.1C483C483-E485 PolarHBondContact O-N 3.41Å
486H40.2Very low35.9Very low102 Ų102117.4 Ų117.447%0.47263%0.628SS.*THydrogen-bonded Turntrans-1033.7179.7-64.8125.7000113.7C483 E488 I489C483-H486 CarbonylContact O-C 3.57Å; C483-H486 PolarHBondContact O-N 3.3Å; C483-H486 PolarHBondContact SG-ND1 3.49Å; H486-E488 VanDerWaalsContact C-N 3.26Å; H486-E488 PolarHBondContact O-N 3.4Å; H486-I489 PolarHBondContact O-N 3.32Å
487V37.7Very low35.6Very low56 Ų56122.5 Ų122.534%0.33964%0.637SS.*Hα-helixtrans-62.8-30.2177.2163.70000112.3C483 A490C483-V487 WeakPolarHBondContact O-CG2 3.34Å; C483-V487 PolarHBondContact O-N 3.47Å; V487-A490 PolarHBondContact O-N 3.43Å
488E38.7Very low35.3Very low163 Ų163132.2 Ų132.276%0.76266%0.662SS**Hα-helixtrans-69.3-33.8-179.2-65-163.3157.100112.7H486 A490 R491H486-E488 VanDerWaalsContact C-N 3.26Å; H486-E488 PolarHBondContact O-N 3.4Å; E488-A490 VanDerWaalsContact C-N 3.29Å; E488-A490 PolarHBondContact O-N 3.47Å; E488-R491 PolarHBondContact O-N 3.39Å
489I40.5Very low35.2Very low112 Ų112132.6 Ų132.657%0.57466%0.659SS**Hα-helixtrans-67.5-32.3176.1-58.2176.6000110.7H486 R491 A492H486-I489 PolarHBondContact O-N 3.32Å; I489-R491 PolarHBondContact O-N 2.71Å; I489-A492 PolarHBondContact O-N 3.43Å
490A38Very low35.1Very low37 Ų37134.7 Ų134.731%0.30667%0.669SS.*Hα-helixtrans-71.7-22.7179.700000114Y482 V487 E488 A492Y482-A490 HydrophobicContact CD2-CB 4.39Å; Y482-A490 HydrophobicContact CE2-CB 4.47Å; V487-A490 PolarHBondContact O-N 3.43Å; E488-A490 VanDerWaalsContact C-N 3.29Å; E488-A490 PolarHBondContact O-N 3.47Å; A490-A492 VanDerWaalsContact C-N 3.31Å; A490-A492 PolarHBondContact O-N 3.29Å
491R36.6Very low35Very low202 Ų202133.1 Ų133.176%0.76267%0.674SS**THydrogen-bonded Turntrans-74.1-20178.6-75.7-174.1-177.9166.93.4113.7E488 I489E488-R491 PolarHBondContact O-N 3.39Å; I489-R491 PolarHBondContact O-N 2.71Å
492A36.8Very low35Very low88 Ų88135.6 Ų135.673%0.72770%0.695SS**THydrogen-bonded Turntrans-88.3-13.7-179.400000114I489 A490 H494I489-A492 PolarHBondContact O-N 3.43Å; A490-A492 VanDerWaalsContact C-N 3.31Å; A490-A492 PolarHBondContact O-N 3.29Å; A492-H494 PolarHBondContact O-N 3.47Å
493L35Very low34.8Very low134 Ų134138.2 Ų138.270%0.70271%0.709SS**  trans-100.479.4-177.1-69.2167.9000110.9T495L493-T495 PolarHBondContact O-N 3.07Å
494H27.7Very low34.7Very low185 Ų185146.6 Ų146.686%0.85674%0.743SS**PPolyproline II helixtrans-66117.4162-92.66.7000110A492A492-H494 PolarHBondContact O-N 3.47Å
495T27.2Very low34.6Very low131 Ų131145 Ų14580%0.80474%0.741SS**PPolyproline II helixtrans-74.2137.7169.66.50000109.6L493L493-T495 PolarHBondContact O-N 3.07Å
496P28.6Very low34.3Very low119 Ų119142.8 Ų142.877%0.77374%0.741SS**PPolyproline II helixtrans-59.8141.1175.9-18.329.2000111.2R498P496-R498 PolarHBondContact O-N 3.27Å
497Q30.2Very low34Very low193 Ų193147 Ų14790%0.90276%0.763SS**PPolyproline II helixtrans-56.5129178.3-78.3-171.6-11.400111.6V499Q497-V499 PolarHBondContact O-N 3.31Å
498R29.5Very low33.8Very low243 Ų243154 Ų15492%0.91779%0.789SS**PPolyproline II helixtrans-61.4117.5176.1-130179.6-174.9-178.92.4109.7P496 L500P496-R498 PolarHBondContact O-N 3.27Å; R498-L500 PolarHBondContact O-N 3.35Å
499V32.6Very low33.6Very low137 Ų137151.7 Ų151.783%0.8379%0.791SS**PPolyproline II helixtrans-66.4123.7167.3-178.80000108.2Q497Q497-V499 PolarHBondContact O-N 3.31Å
500L34.4Very low33.6Very low155 Ų155155 Ų15581%0.81281%0.809SS**PPolyproline II helixtrans-64.6138.5179.5-78.3162.6000111.1R498R498-L500 PolarHBondContact O-N 3.35Å
501P34.3Very low33.5Very low119 Ų119164.9 Ų164.977%0.77384%0.838SS**PPolyproline II helixtrans-67.4135.5175.5-13.226.8000111.5K503P501-K503 PolarHBondContact O-N 3.3Å
502L37.5Very low33.4Very low175 Ų175165.2 Ų165.292%0.91685%0.845SS**PPolyproline II helixtrans-57.9122.3172.4-84.4155.3000111K504L502-K504 PolarHBondContact O-N 3.26Å
503K33.9Very low33.3Very low204 Ų204171.3 Ų171.389%0.88786%0.855SS**PPolyproline II helixtrans-59.6117.7173.8-77.2-179.7175.7176.90110.5P501P501-K503 PolarHBondContact O-N 3.3Å
504K34.7Very low33.2Very low201 Ų201168.3 Ų168.387%0.87486%0.856SS**PPolyproline II helixtrans-77.5131.3162-72.1-176.7179.1178.40109.3L502L502-K504 PolarHBondContact O-N 3.26Å
505P33Very low33.6Very low117 Ų117165.7 Ų165.776%0.7686%0.859SS**PPolyproline II helixtrans-75.1149.6178.929.2-31.6000111.6
506P33Very low33.8Very low125 Ų125163.2 Ų163.281%0.81286%0.86SS**PPolyproline II helixtrans-76.1131.9-177.130-32000111.4
507M33.4Very low34.1Very low191 Ų191167.4 Ų167.494%0.94187%0.865SS**PPolyproline II helixtrans-70.3129.8171.1-89.8170.445.400110.8
508K34.7Very low34.3Very low204 Ų204166.3 Ų166.389%0.88786%0.864SS**PPolyproline II helixtrans-67.3138.3-178.7-70.9175.9177.1174.40112.3
509S34.7Very low34.3Very low113 Ų113162.1 Ų162.179%0.7986%0.859SS**PPolyproline II helixtrans-69128.716759.20000111.6
510L38.9Very low34.5Very low183 Ų183161.6 Ų161.696%0.95886%0.857SS**PPolyproline II helixtrans-74.3137.2170.1-87.4157.4000111.1
511R36.3Very low34.8Very low244 Ų244159.9 Ų159.992%0.92186%0.855SS**PPolyproline II helixtrans-65.9144.7-166.8-74.7175.3168.4179.6-4.5114.9
512K35.7Very low34.5Very low208 Ų208158.2 Ų158.290%0.90485%0.851SS**PPolyproline II helixtrans-49139.2155-82.3174.8170.2174.40112.4
513K35Very low34.1Very low217 Ų217159.1 Ų159.194%0.94385%0.847SS**  trans-117.1132.7145.8-96.6-173.6176-179.20108.2
514G32.4Very low34.1Very low70 Ų70158.4 Ų158.472%0.72284%0.844SS**  trans-101.1162.2-171.800000115.1
515S35.5Very low33.8Very low131 Ų131153.2 Ų153.292%0.91683%0.833SS**  trans55.1120.5154.467.80000121.3
516G30.4Very low33.9Very low79 Ų79155.9 Ų155.981%0.81483%0.833SS**  trans-173.2101.9150.900000111.1
517K36.5Very low33.9Very low206 Ų206156.1 Ų156.190%0.89683%0.827SS**  trans-80.7139.3158.2-76-176.9176-179.10107.4
518I33.8Very low33.9Very low171 Ų171157.2 Ų157.288%0.87782%0.821SS**  trans-166146.3144.8-92.4143.8000109.5
519L29.6Very low33.9Very low154 Ų154158.3 Ų158.381%0.80682%0.819SS**  trans-50.9156.6-172.5-85.971.8000118.8
520T36.8Very low33.7Very low127 Ų127160.5 Ų160.578%0.77982%0.821SS**  trans-54.6149.3153.551.10000112.2
521P40.6Very low33.6Very low119 Ų119160.4 Ų160.477%0.77381%0.814SS**  -158167.586.440.1-19.5000118
522A28Very low33.7Very low84 Ų84160.2 Ų160.269%0.69483%0.831SS**  trans71.5121.4138.500000122.4
523K29.8Very low33.6Very low193 Ų193157.8 Ų157.884%0.83983%0.827SS**  45.9119.3126.1-64.3-178.8176.1177.80118.1
524K32.3Very low33.5Very low189 Ų189154.7 Ų154.782%0.82282%0.821SS**  175.2120105.6-93.6165.8-175-177.20107.4
525S30.3Very low33.6Very low92 Ų92159.4 Ų159.464%0.64383%0.826SS**  61.1115.891.8101.90000109.7
526F33.9Very low33.4Very low174 Ų174161.1 Ų161.176%0.76382%0.821SS**  178.1149.776.4-132.1-130.8000107.7
527L33.9Very low33.6Very low130 Ų130166.2 Ų166.268%0.68182%0.821SS**  trans27.6147.7139.4-60.9-177.7000119.5
528R32.9Very low33.4Very low214 Ų214163.5 Ų163.581%0.80882%0.816SS**  cis173.6131.7-2.1177.3-177.8-153.9-173.12.6101.6
529R34.8Very low33.4Very low226 Ų226163 Ų16385%0.85381%0.812SS**  trans23.2119.9142.7-115.9179.5-177.2177.71.7116.8
530L31.1Very low33.7Very low159 Ų159163.7 Ų163.783%0.83281%0.813SS**  trans-172115.2131-105133.6000109.4
531F36.7Very low33.5Very low182 Ų182166.8 Ų166.880%0.79882%0.815SS**  trans28.9112.6150-63.1-94.5000118.8
532D37.2Very low32.8Very low239 Ų239171.1 Ų171.1100%1.27882%0.819SS**  -137.7093.5-91-28.1000109.8

Retrieved 532 of 532 residues in 1037.1 ms (Link to these results)

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