A0A087YK53_POEFO Loading...

Arrestin C-terminal-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YK53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 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
1M59.5Low89.6Confident201 Ų20164.4 Ų64.499%0.9931%0.306SS*.  0138.10-66.3-165.8-14200109.6S34M1-S34 PolarHBondContact O-OG 2.86Å
2T82.7Confident89.4Confident26 Ų2664.8 Ų64.816%0.1633%0.328CS..  trans-84.1-35.9-173.1-28.10000114.2V33 S34 K35 T37 K133T2-V33 CarbonylContact O-C 3.57Å; T2-V33 VanDerWaalsContact O-CA 3.26Å; T2-V33 WeakPolarHBondContact O-CA 3.46Å; T2-S34 PolarHBondContact O-N 3.12Å; T2-S34 PolarHBondContact O-OG 2.94Å; T2-K35 HydrophobicContact CG2-CB 3.91Å; T2-T37 HydrophobicContact CG2-CG2 4.44Å; T2-T37 WeakPolarHBondContact CG2-OG1 3.36Å; T2-K133 PolarHBondContact OG1-NZ 2.75Å
3V87.9Confident88.9Confident3 Ų365.5 Ų65.52%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-92.7114.6171176.30000108.6L31 V33 L128 K136V3-L31 HydrophobicContact CG1-CD1 3.62Å; V3-L31 HydrophobicContact CG2-CD1 4.4Å; V3-V33 HydrophobicContact CG2-CG1 4.06Å; V3-L128 HydrophobicContact CG1-CD2 4.42Å; V3-L128 HydrophobicContact CG2-CD2 3.84Å; V3-K136 HydrophobicContact CB-CD 3.87Å; V3-K136 HydrophobicContact CG1-CD 3.74Å; V3-K136 HydrophobicContact CG2-CD 4.42Å; V3-K136 PolarHBondContact O-NZ 3.22Å
4K89.9Confident88.4Confident130 Ų13063.9 Ų63.957%0.56533%0.33SS*.EExtended strand (participates in β ladder)trans-79.1-52.7177.7-69.8-179.6171.2-171.50111.5E32K4-E32 HydrophobicContact CB-CB 4.34Å; K4-E32 HydrophobicContact CB-CG 4.32Å; K4-E32 HydrophobicContact CD-CG 4.2Å; K4-E32 WeakPolarHBondContact CD-OE1 3.37Å; K4-E32 PolarHBondContact N-O 3.25Å; K4-E32 IonicContact NZ-OE1 2.64Å; K4-E32 PolarHBondContact NZ-OE1 3.3Å
5K92.9Very high87.9Confident101 Ų10171 Ų7144%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-137.1136.6-174.2-161.4178.8179-167.10110.7H7 L31 E32K5-H7 VanDerWaalsContact CD-CE1 3.45Å; K5-H7 WeakPolarHBondContact CD-CE1 3.48Å; K5-H7 WeakPolarHBondContact CE-CE1 3Å; K5-H7 WeakPolarHBondContact CE-ND1 3.4Å; K5-H7 PolarHBondContact NZ-CE1 3.09Å; K5-H7 PolarHBondContact NZ-NE2 3.03Å; K5-L31 WeakPolarHBondContact O-CA 3.37Å; K5-E32 HydrophobicContact CB-CB 3.98Å; K5-E32 PolarHBondContact N-O 2.92Å; K5-E32 PolarHBondContact O-N 2.8Å
6L95.6Very high87.6Confident29 Ų2974.3 Ų74.315%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-132.7116.8166.2175.467.9000106.5I29 I30 L31 L42 A126 L128 K136 A138L6-I29 HydrophobicContact CD1-CG2 3.9Å; L6-I30 WeakPolarHBondContact CA-O 3.3Å; L6-L31 HydrophobicContact CD1-CD1 4.33Å; L6-L42 HydrophobicContact CD1-CD1 4.42Å; L6-A126 HydrophobicContact CD1-CB 4.32Å; L6-L128 HydrophobicContact CD2-CB 4.02Å; L6-K136 HydrophobicContact CD2-CB 3.98Å; L6-A138 HydrophobicContact CD2-CB 4.31Å; L6-A138 HydrophobicContact CG-CB 3.95Å; L6-A138 WeakPolarHBondContact O-CB 3.42Å
7H95.6Very high87.8Confident30 Ų3073.1 Ų73.114%0.13937%0.37CS..EExtended strand (participates in β ladder)trans-141.7160.317958.7-64.6000111K5 E9 I29 I30K5-H7 VanDerWaalsContact CD-CE1 3.45Å; K5-H7 WeakPolarHBondContact CD-CE1 3.48Å; K5-H7 WeakPolarHBondContact CE-CE1 3Å; K5-H7 WeakPolarHBondContact CE-ND1 3.4Å; K5-H7 PolarHBondContact NZ-CE1 3.09Å; K5-H7 PolarHBondContact NZ-NE2 3.03Å; H7-E9 IonicContact CD2-OE1 3.24Å; H7-E9 PolarHBondContact CD2-OE1 3.2Å; H7-E9 IonicContact NE2-OE1 2.95Å; H7-I29 WeakPolarHBondContact O-CA 3.33Å; H7-I30 WeakPolarHBondContact CE1-CB 3.42Å; H7-I30 WeakPolarHBondContact CE1-CG2 3.49Å; H7-I30 PolarHBondContact N-O 2.86Å; H7-I30 PolarHBondContact ND1-O 2.83Å; H7-I30 VanDerWaalsContact ND1-O 3.16Å; H7-I30 VanDerWaalsContact NE2-CD1 3.27Å; H7-I30 WeakPolarHBondContact NE2-CD1 3.33Å; H7-I30 PolarHBondContact O-N 3.01Å
8I97Very high88Confident10 Ų1069.8 Ų69.85%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-130.5130.4179.7-176.5167.1000107.7I29 F44 F100 L124 A138 I140I8-I29 HydrophobicContact CD1-CG1 4.13Å; I8-I29 HydrophobicContact CG1-CG1 4.16Å; I8-F44 HydrophobicContact CD1-CD2 4.09Å; I8-F44 HydrophobicContact CD1-CE2 4.11Å; I8-F100 HydrophobicContact CD1-CE1 3.86Å; I8-F100 HydrophobicContact CD1-CZ 4.11Å; I8-F100 HydrophobicContact CG1-CE1 3.75Å; I8-F100 HydrophobicContact CG1-CZ 4.13Å; I8-L124 HydrophobicContact CD1-CB 3.6Å; I8-A138 HydrophobicContact CG2-CB 4.22Å; I8-I140 HydrophobicContact CG1-CG2 4.39Å; I8-I140 HydrophobicContact CG2-CB 4.02Å; I8-I140 HydrophobicContact CG2-CG2 3.72Å
9E95.6Very high88.3Confident72 Ų7266.2 Ų66.234%0.33634%0.336SS..EExtended strand (participates in β ladder)trans-130.4153179-64.8174.5-175.400108.2H7 G27 R28H7-E9 IonicContact CD2-OE1 3.24Å; H7-E9 PolarHBondContact CD2-OE1 3.2Å; H7-E9 IonicContact NE2-OE1 2.95Å; E9-G27 CarbonylContact O-C 3.54Å; E9-G27 VanDerWaalsContact O-CA 3.3Å; E9-G27 WeakPolarHBondContact O-CA 3.21Å; E9-R28 HydrophobicContact CB-CG 4.43Å; E9-R28 PolarHBondContact N-O 3.27Å; E9-R28 PolarHBondContact O-N 3.14Å; E9-R28 IonicContact OE2-NE 3.78Å; E9-R28 IonicContact OE2-NH2 3.77Å
10Y95.8Very high88.6Confident34 Ų3464.1 Ų64.113%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-139.4155.717464.2-93.9000109.2N17 F19 I25 N26 L124 I140 H141 F142Y10-N17 WeakPolarHBondContact CE2-OD1 3.4Å; Y10-N17 PolarHBondContact OH-ND2 2.9Å; Y10-F19 HydrophobicContact CD2-CE2 4.02Å; Y10-F19 AromaticContact CD2-CZ 3.89Å; Y10-F19 HydrophobicContact CD2-CZ 3.89Å; Y10-F19 AromaticContact CE2-CE2 3.58Å; Y10-F19 HydrophobicContact CE2-CE2 3.58Å; Y10-F19 AromaticContact CE2-CZ 3.9Å; Y10-F19 HydrophobicContact CE2-CZ 3.9Å; Y10-I25 HydrophobicContact CD2-CG2 4.3Å; Y10-I25 HydrophobicContact CG-CG2 4.08Å; Y10-N26 WeakPolarHBondContact CA-O 3.31Å; Y10-N26 WeakPolarHBondContact CB-O 3.36Å; Y10-L124 HydrophobicContact CD1-CD1 3.7Å; Y10-L124 HydrophobicContact CE1-CD1 4.44Å; Y10-L124 HydrophobicContact CG-CD1 4.11Å; Y10-I140 HydrophobicContact CD1-CD1 4.01Å; Y10-I140 HydrophobicContact CD1-CG2 3.87Å; Y10-I140 HydrophobicContact CE1-CD1 3.63Å; Y10-I140 HydrophobicContact CE1-CG1 3.9Å; Y10-I140 HydrophobicContact CE1-CG2 3.92Å; Y10-H141 PolarHBondContact OH-O 3.16Å; Y10-F142 HydrophobicContact CE1-CB 4.08Å; Y10-F142 HydrophobicContact CE2-CB 4.29Å; Y10-F142 WeakPolarHBondContact OH-CA 3.2Å; Y10-F142 WeakPolarHBondContact OH-CB 3.44Å
11D92.6Very high88.8Confident72 Ų7261.4 Ų61.439%0.38531%0.313SS..  trans-84.4136.7-177-53.7-46.3000109.7N26 R28D11-N26 PolarHBondContact N-O 3.11Å; D11-R28 IonicContact OD1-CZ 3.61Å; D11-R28 IonicContact OD1-NH1 2.84Å; D11-R28 PolarHBondContact OD1-NH1 3.18Å; D11-R28 IonicContact OD1-NH2 3.65Å; D11-R28 IonicContact OD2-NH1 3.85Å
12A87.9Confident90.4Very high69 Ų6952.7 Ų52.757%0.5727%0.274SS*.  trans-70.5136.6177.500000110.2N17A12-N17 WeakPolarHBondContact CA-OD1 3.36Å; A12-N17 HydrophobicContact CB-CB 4.14Å; A12-N17 WeakPolarHBondContact CB-OD1 3Å
13V83Confident91Very high75 Ų7553.5 Ų53.546%0.45528%0.278SS..SBendtrans-89.6-19.6-179.167.10000113.1T18 F19V13-T18 WeakPolarHBondContact CG1-O 3.31Å; V13-F19 HydrophobicContact CB-CD1 4.18Å; V13-F19 HydrophobicContact CB-CE1 3.67Å; V13-F19 HydrophobicContact CB-CZ 4.21Å; V13-F19 HydrophobicContact CG1-CD1 3.69Å; V13-F19 HydrophobicContact CG1-CE1 3.57Å; V13-F19 HydrophobicContact CG1-CE2 4.47Å; V13-F19 HydrophobicContact CG1-CG 4.22Å; V13-F19 HydrophobicContact CG1-CZ 3.99Å
14N81.4Confident91.4Very high42 Ų4256.2 Ų56.223%0.22529%0.294CS..SBendtrans-158175.4178.554.846.3000110.4R16 N17 T18N14-R16 PolarHBondContact O-N 2.95Å; N14-R16 VanDerWaalsContact O-N 3.13Å; N14-R16 VanDerWaalsContact OD1-C 3.28Å; N14-R16 WeakPolarHBondContact OD1-CA 3.33Å; N14-R16 PolarHBondContact OD1-N 3.33Å; N14-N17 PolarHBondContact O-N 3Å; N14-N17 PolarHBondContact OD1-N 3.39Å; N14-T18 PolarHBondContact ND2-O 3.28Å; N14-T18 PolarHBondContact OD1-N 2.79Å; N14-T18 VanDerWaalsContact OD1-N 3.12Å
15N81.6Confident91.7Very high171 Ų17150 Ų5091%0.91427%0.267SS*.THydrogen-bonded Turntrans-57.6-26.6178.5-66.3-14.9000113.5
16R82.7Confident91.8Very high124 Ų12448.8 Ų48.847%0.46827%0.266SS..THydrogen-bonded Turntrans-93.90.9-179.9-55.3-173-168.6-165.97.1113.1N14 T18 E296 E301N14-R16 PolarHBondContact O-N 2.95Å; N14-R16 VanDerWaalsContact O-N 3.13Å; N14-R16 VanDerWaalsContact OD1-C 3.28Å; N14-R16 WeakPolarHBondContact OD1-CA 3.33Å; N14-R16 PolarHBondContact OD1-N 3.33Å; R16-T18 PolarHBondContact O-N 2.84Å; R16-T18 VanDerWaalsContact O-N 3.08Å; R16-T18 PolarHBondContact O-OG1 2.83Å; R16-E296 IonicContact CZ-OE2 3.18Å; R16-E296 IonicContact NH1-OE2 3.6Å; R16-E296 PolarHBondContact NH1-OE2 3.07Å; R16-E296 IonicContact NH2-OE2 3.9Å; R16-E296 PolarHBondContact NH2-OE2 2.77Å; R16-E301 IonicContact CZ-OE1 2.65Å; R16-E301 IonicContact NE-OE1 3.3Å; R16-E301 IonicContact NE-OE2 2.78Å; R16-E301 IonicContact NH2-OE1 3.72Å; R16-E301 PolarHBondContact NH2-OE1 2.98Å; R16-E301 IonicContact NH2-OE2 2.64Å
17N90.4Very high91.9Very high53 Ų5347.8 Ų47.828%0.28326%0.262SS..  trans4145.2-174.3-167.926.2000113.7Y10 A12 N14Y10-N17 WeakPolarHBondContact CE2-OD1 3.4Å; Y10-N17 PolarHBondContact OH-ND2 2.9Å; A12-N17 WeakPolarHBondContact CA-OD1 3.36Å; A12-N17 HydrophobicContact CB-CB 4.14Å; A12-N17 WeakPolarHBondContact CB-OD1 3Å; N14-N17 PolarHBondContact O-N 3Å; N14-N17 PolarHBondContact OD1-N 3.39Å
18T92Very high92Very high15 Ų1550.7 Ų50.79%0.09227%0.272CS..EExtended strand (participates in β ladder)trans-117.3131.1-174.8-65.50000110.4V13 N14 R16 M143 V145 I298V13-T18 WeakPolarHBondContact CG1-O 3.31Å; N14-T18 PolarHBondContact ND2-O 3.28Å; N14-T18 PolarHBondContact OD1-N 2.79Å; N14-T18 VanDerWaalsContact OD1-N 3.12Å; R16-T18 PolarHBondContact O-N 2.84Å; R16-T18 VanDerWaalsContact O-N 3.08Å; R16-T18 PolarHBondContact O-OG1 2.83Å; T18-M143 HydrophobicContact CG2-CB 4.44Å; T18-M143 HydrophobicContact CG2-CG 4.04Å; T18-V145 HydrophobicContact CG2-CB 3.82Å; T18-V145 HydrophobicContact CG2-CG2 3.43Å; T18-V145 VanDerWaalsContact CG2-CG2 3.43Å; T18-I298 HydrophobicContact CG2-CD1 3.79Å
19F94.1Very high92Very high1 Ų150.2 Ų50.20%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-106.7154.9-179-61-91.1000111.6Y10 V13 D23 I25 I104 F142 M143 F144 V145Y10-F19 HydrophobicContact CD2-CE2 4.02Å; Y10-F19 AromaticContact CD2-CZ 3.89Å; Y10-F19 HydrophobicContact CD2-CZ 3.89Å; Y10-F19 AromaticContact CE2-CE2 3.58Å; Y10-F19 HydrophobicContact CE2-CE2 3.58Å; Y10-F19 AromaticContact CE2-CZ 3.9Å; Y10-F19 HydrophobicContact CE2-CZ 3.9Å; V13-F19 HydrophobicContact CB-CD1 4.18Å; V13-F19 HydrophobicContact CB-CE1 3.67Å; V13-F19 HydrophobicContact CB-CZ 4.21Å; V13-F19 HydrophobicContact CG1-CD1 3.69Å; V13-F19 HydrophobicContact CG1-CE1 3.57Å; V13-F19 HydrophobicContact CG1-CE2 4.47Å; V13-F19 HydrophobicContact CG1-CG 4.22Å; V13-F19 HydrophobicContact CG1-CZ 3.99Å; F19-D23 WeakPolarHBondContact CA-OD2 3Å; F19-D23 HydrophobicContact CB-CB 4.38Å; F19-D23 HydrophobicContact CD1-CB 4.07Å; F19-I25 HydrophobicContact CD1-CD1 4.38Å; F19-I25 HydrophobicContact CD1-CG1 3.76Å; F19-I25 HydrophobicContact CD2-CD1 4.43Å; F19-I25 HydrophobicContact CE1-CB 4.46Å; F19-I25 HydrophobicContact CE1-CD1 4.45Å; F19-I25 HydrophobicContact CE1-CG1 3.66Å; F19-I25 HydrophobicContact CG-CD1 4.36Å; F19-I25 HydrophobicContact CG-CG1 4.24Å; F19-I25 HydrophobicContact CZ-CG1 4.06Å; F19-I104 HydrophobicContact CB-CD1 3.55Å; F19-I104 HydrophobicContact CD1-CD1 4.48Å; F19-I104 HydrophobicContact CG-CD1 4.2Å; F19-F142 HydrophobicContact CB-CD2 4.4Å; F19-F142 HydrophobicContact CD2-CB 4.19Å; F19-F142 AromaticContact CD2-CD2 3.87Å; F19-F142 HydrophobicContact CD2-CD2 3.87Å; F19-F142 HydrophobicContact CD2-CG 4.37Å; F19-F142 HydrophobicContact CE2-CB 4.25Å; F19-F142 HydrophobicContact CG-CD2 4.39Å; F19-M143 PolarHBondContact N-O 2.9Å; F19-F144 CarbonylContact O-C 3.59Å; F19-F144 VanDerWaalsContact O-CA 3.27Å; F19-F144 WeakPolarHBondContact O-CA 3.36Å; F19-F144 WeakPolarHBondContact O-CD2 3.13Å; F19-V145 PolarHBondContact O-N 2.93Å
20T94Very high92.1Very high24 Ų2447.1 Ų47.115%0.14726%0.255CS..  trans-129.9-176.7176.2-162.10000112.3G22 D23 V145 K147T20-G22 PolarHBondContact O-N 2.91Å; T20-D23 PolarHBondContact N-OD2 3.03Å; T20-D23 WeakPolarHBondContact O-CB 3.26Å; T20-D23 PolarHBondContact O-N 2.97Å; T20-V145 WeakPolarHBondContact CA-O 3.27Å; T20-V145 VanDerWaalsContact CB-O 3.29Å; T20-V145 WeakPolarHBondContact CB-O 3.11Å; T20-V145 PolarHBondContact OG1-O 3.41Å; T20-K147 WeakPolarHBondContact OG1-CG 3.29Å
21N92.9Very high92.1Very high8 Ų845.5 Ų45.54%0.04325%0.249CC..THydrogen-bonded Turntrans-60.2127.4-177.1-52.373.8000110.7D23 D106 R107 K147N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D106 WeakPolarHBondContact CB-OD1 3.39Å; N21-R107 PolarHBondContact ND2-O 3.36Å; N21-K147 HydrophobicContact CB-CD 4.23Å; N21-K147 HydrophobicContact CB-CG 4.42Å; N21-K147 VanDerWaalsContact O-CE 3.29Å; N21-K147 WeakPolarHBondContact O-CE 3.41Å; N21-K147 PolarHBondContact O-NZ 2.93Å; N21-K147 PolarHBondContact OD1-N 3.45Å
22G93.7Very high92.2Very high17 Ų1745 Ų4518%0.17524%0.244CC..THydrogen-bonded Turntrans88-12.1179.200000115.3T20 K103 I104T20-G22 PolarHBondContact O-N 2.91Å; G22-K103 WeakPolarHBondContact O-CE 3.2Å; G22-I104 WeakPolarHBondContact CA-O 3.46Å; G22-I104 PolarHBondContact N-O 3Å
23D94.6Very high92.5Very high44 Ų4441.9 Ų41.924%0.23522%0.218CC..  trans-61.3152179.9-72-1.2000112.1F19 T20 N21 I104F19-D23 WeakPolarHBondContact CA-OD2 3Å; F19-D23 HydrophobicContact CB-CB 4.38Å; F19-D23 HydrophobicContact CD1-CB 4.07Å; T20-D23 PolarHBondContact N-OD2 3.03Å; T20-D23 WeakPolarHBondContact O-CB 3.26Å; T20-D23 PolarHBondContact O-N 2.97Å; N21-D23 VanDerWaalsContact C-N 3.32Å; D23-I104 HydrophobicContact CB-CD1 4.27Å; D23-I104 PolarHBondContact O-N 2.82Å
24T95.4Very high92.9Very high60 Ų6039.8 Ų39.837%0.36821%0.206SC..EExtended strand (participates in β ladder)trans-106.6123.5176.6-60.90000110.4T101T24-T101 HydrophobicContact CG2-CG2 3.34Å
25I96.2Very high93.4Very high0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-93.8115.1172.9-57.8-177.7000108.1Y10 F19 F100 T101 F102 I104 L124 F142Y10-I25 HydrophobicContact CD2-CG2 4.3Å; Y10-I25 HydrophobicContact CG-CG2 4.08Å; F19-I25 HydrophobicContact CD1-CD1 4.38Å; F19-I25 HydrophobicContact CD1-CG1 3.76Å; F19-I25 HydrophobicContact CD2-CD1 4.43Å; F19-I25 HydrophobicContact CE1-CB 4.46Å; F19-I25 HydrophobicContact CE1-CD1 4.45Å; F19-I25 HydrophobicContact CE1-CG1 3.66Å; F19-I25 HydrophobicContact CG-CD1 4.36Å; F19-I25 HydrophobicContact CG-CG1 4.24Å; F19-I25 HydrophobicContact CZ-CG1 4.06Å; I25-F100 HydrophobicContact CG2-CE2 4.12Å; I25-T101 WeakPolarHBondContact O-CA 3.48Å; I25-F102 HydrophobicContact CB-CD1 4.48Å; I25-F102 HydrophobicContact CD1-CD1 4.14Å; I25-F102 HydrophobicContact CG1-CD1 4.49Å; I25-F102 PolarHBondContact N-O 3.31Å; I25-F102 PolarHBondContact O-N 3.46Å; I25-I104 HydrophobicContact CD1-CD1 4.05Å; I25-I104 HydrophobicContact CD1-CG1 4.24Å; I25-I104 HydrophobicContact CG1-CD1 4.26Å; I25-I104 HydrophobicContact CG1-CG1 4.36Å; I25-L124 HydrophobicContact CD1-CD2 4.49Å; I25-L124 HydrophobicContact CG2-CD1 3.89Å; I25-F142 HydrophobicContact CD1-CD1 3.89Å; I25-F142 HydrophobicContact CD1-CD2 3.96Å; I25-F142 HydrophobicContact CD1-CE1 3.64Å; I25-F142 HydrophobicContact CD1-CE2 3.72Å; I25-F142 HydrophobicContact CD1-CG 4.01Å; I25-F142 HydrophobicContact CD1-CZ 3.51Å
26N96.6Very high93.8Very high75 Ų7543.2 Ų43.240%0.40121%0.213SC..EExtended strand (participates in β ladder)trans-96.3143167.2-63.2-53.5000109.7Y10 D11 T101Y10-N26 WeakPolarHBondContact CA-O 3.31Å; Y10-N26 WeakPolarHBondContact CB-O 3.36Å; D11-N26 PolarHBondContact N-O 3.11Å; N26-T101 WeakPolarHBondContact OD1-CG2 3.35Å; N26-T101 PolarHBondContact OD1-OG1 3.4Å
27G96.6Very high94Very high7 Ų737.8 Ų37.87%0.07219%0.194CC..EExtended strand (participates in β ladder)trans-173-168178.900000113.2E9 P99 F100E9-G27 CarbonylContact O-C 3.54Å; E9-G27 VanDerWaalsContact O-CA 3.3Å; E9-G27 WeakPolarHBondContact O-CA 3.21Å; G27-P99 CarbonylContact O-C 3.59Å; G27-P99 WeakPolarHBondContact O-CA 3.24Å; G27-F100 VanDerWaalsContact C-CD1 3.46Å; G27-F100 PolarHBondContact N-O 2.84Å; G27-F100 PolarHBondContact O-N 2.94Å
28R97.1Very high94Very high91 Ų9140.4 Ų40.434%0.34320%0.203SC..EExtended strand (participates in β ladder)trans-149139.8-173.555.3-153.5170-113.3-5.8112E9 D11 I30 V97 F98E9-R28 HydrophobicContact CB-CG 4.43Å; E9-R28 PolarHBondContact N-O 3.27Å; E9-R28 PolarHBondContact O-N 3.14Å; E9-R28 IonicContact OE2-NE 3.78Å; E9-R28 IonicContact OE2-NH2 3.77Å; D11-R28 IonicContact OD1-CZ 3.61Å; D11-R28 IonicContact OD1-NH1 2.84Å; D11-R28 PolarHBondContact OD1-NH1 3.18Å; D11-R28 IonicContact OD1-NH2 3.65Å; D11-R28 IonicContact OD2-NH1 3.85Å; R28-I30 HydrophobicContact CG-CD1 4.19Å; R28-I30 HydrophobicContact CG-CG1 4.24Å; R28-V97 HydrophobicContact CB-CG1 3.84Å; R28-V97 HydrophobicContact CG-CG1 4.48Å; R28-F98 WeakPolarHBondContact CA-O 3.38Å
29I97.7Very high93.9Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-97.7127167.2-61.1167.7000107.1L6 H7 I8 L42 F44 M79 F98 F100 A126L6-I29 HydrophobicContact CD1-CG2 3.9Å; H7-I29 WeakPolarHBondContact O-CA 3.33Å; I8-I29 HydrophobicContact CD1-CG1 4.13Å; I8-I29 HydrophobicContact CG1-CG1 4.16Å; I29-L42 HydrophobicContact CG2-CD1 4.33Å; I29-L42 HydrophobicContact CG2-CD2 4.26Å; I29-F44 HydrophobicContact CD1-CB 3.93Å; I29-F44 HydrophobicContact CD1-CD2 4.21Å; I29-M79 HydrophobicContact CD1-CE 4.45Å; I29-M79 HydrophobicContact CD1-CG 4.11Å; I29-F98 HydrophobicContact CB-CB 4.27Å; I29-F98 PolarHBondContact N-O 3.16Å; I29-F98 PolarHBondContact O-N 3.37Å; I29-F100 HydrophobicContact CG1-CD1 4.13Å; I29-F100 HydrophobicContact CG1-CE1 4.33Å; I29-A126 HydrophobicContact CB-CB 4.49Å; I29-A126 HydrophobicContact CD1-CB 3.75Å; I29-A126 HydrophobicContact CG1-CB 3.95Å; I29-A126 HydrophobicContact CG2-CB 3.73Å
30I96.9Very high93.6Very high8 Ų841.6 Ų41.64%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-116120.7-177.4-57.2161.1000108.6L6 H7 R28 K95 H96 V97L6-I30 WeakPolarHBondContact CA-O 3.3Å; H7-I30 WeakPolarHBondContact CE1-CB 3.42Å; H7-I30 WeakPolarHBondContact CE1-CG2 3.49Å; H7-I30 PolarHBondContact N-O 2.86Å; H7-I30 PolarHBondContact ND1-O 2.83Å; H7-I30 VanDerWaalsContact ND1-O 3.16Å; H7-I30 VanDerWaalsContact NE2-CD1 3.27Å; H7-I30 WeakPolarHBondContact NE2-CD1 3.33Å; H7-I30 PolarHBondContact O-N 3.01Å; R28-I30 HydrophobicContact CG-CD1 4.19Å; R28-I30 HydrophobicContact CG-CG1 4.24Å; I30-K95 HydrophobicContact CG2-CD 4.31Å; I30-K95 VanDerWaalsContact CG2-CE 3.48Å; I30-K95 HydrophobicContact CG2-CG 3.94Å; I30-H96 WeakPolarHBondContact CA-O 3.21Å; I30-V97 HydrophobicContact CG1-CG1 4.45Å; I30-V97 HydrophobicContact CG1-CG2 4.4Å
31L96.1Very high93.5Very high0 Ų041.4 Ų41.40%021%0.207CC..EExtended strand (participates in β ladder)trans-118120.7-178.8174.459.9000109.5V3 K5 L6 V33 I91 H96 F98 L128V3-L31 HydrophobicContact CG1-CD1 3.62Å; V3-L31 HydrophobicContact CG2-CD1 4.4Å; K5-L31 WeakPolarHBondContact O-CA 3.37Å; L6-L31 HydrophobicContact CD1-CD1 4.33Å; L31-V33 HydrophobicContact CD1-CG1 4.14Å; L31-V33 HydrophobicContact CG-CG1 4.15Å; L31-I91 HydrophobicContact CD2-CD1 3.45Å; L31-I91 VanDerWaalsContact CD2-CD1 3.45Å; L31-H96 HydrophobicContact CB-CB 4.49Å; L31-H96 PolarHBondContact N-O 2.75Å; L31-H96 PolarHBondContact O-N 2.85Å; L31-F98 HydrophobicContact CB-CE2 4.17Å; L31-F98 HydrophobicContact CD2-CE2 4.42Å; L31-L128 HydrophobicContact CD1-CD2 3.78Å; L31-L128 HydrophobicContact CD2-CD1 4.15Å; L31-L128 HydrophobicContact CD2-CD2 4.16Å
32E95.3Very high93.6Very high62 Ų6241 Ų4129%0.2921%0.205SC..EExtended strand (participates in β ladder)trans-112.8125.1174.3-167.8-170.7152.300110.2K4 K5 G94K4-E32 HydrophobicContact CB-CB 4.34Å; K4-E32 HydrophobicContact CB-CG 4.32Å; K4-E32 HydrophobicContact CD-CG 4.2Å; K4-E32 WeakPolarHBondContact CD-OE1 3.37Å; K4-E32 PolarHBondContact N-O 3.25Å; K4-E32 IonicContact NZ-OE1 2.64Å; K4-E32 PolarHBondContact NZ-OE1 3.3Å; K5-E32 HydrophobicContact CB-CB 3.98Å; K5-E32 PolarHBondContact N-O 2.92Å; K5-E32 PolarHBondContact O-N 2.8Å; E32-G94 WeakPolarHBondContact CA-O 3.33Å
33V94.1Very high93.7Very high3 Ų341.1 Ų41.12%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-120.4136.1179.1-63.90000111.1T2 V3 L31 I91 S92 G94T2-V33 CarbonylContact O-C 3.57Å; T2-V33 VanDerWaalsContact O-CA 3.26Å; T2-V33 WeakPolarHBondContact O-CA 3.46Å; V3-V33 HydrophobicContact CG2-CG1 4.06Å; L31-V33 HydrophobicContact CD1-CG1 4.14Å; L31-V33 HydrophobicContact CG-CG1 4.15Å; V33-I91 HydrophobicContact CG2-CG2 3.84Å; V33-S92 WeakPolarHBondContact CG2-O 3.44Å; V33-G94 PolarHBondContact N-O 2.83Å; V33-G94 PolarHBondContact O-N 2.86Å
34S92.2Very high93.8Very high30 Ų3039.2 Ų39.221%0.2119%0.191CC..SBendtrans-80.5-22.3-177.462.90000113.5M1 T2 R93M1-S34 PolarHBondContact O-OG 2.86Å; T2-S34 PolarHBondContact O-N 3.12Å; T2-S34 PolarHBondContact O-OG 2.94Å; S34-R93 WeakPolarHBondContact O-CD 3.38Å; S34-R93 WeakPolarHBondContact O-CG 3.23Å
35K91.2Very high94Very high148 Ų14836.5 Ų36.564%0.64317%0.174SC*.SBendtrans-148.3164.5-179.6-57.1-174.5179-171.80107.9T2 T37T2-K35 HydrophobicContact CG2-CB 3.91Å; K35-T37 PolarHBondContact O-N 2.98Å; K35-T37 PolarHBondContact O-OG1 2.9Å
36E89.6Confident94Very high138 Ų13836.5 Ų36.565%0.64517%0.174SC*.  trans-51.3129.6172.1-168.1176.5119.900110.8V90 I91E36-V90 HydrophobicContact CG-CG1 3.24Å; E36-V90 WeakPolarHBondContact OE1-CG1 3.22Å; E36-I91 WeakPolarHBondContact CA-O 3.29Å
37T88.3Confident94.1Very high9 Ų936.1 Ų36.16%0.05517%0.169CC..EExtended strand (participates in β ladder)trans-133.4124.7-172.2-55.10000110.4T2 K35 V39 I91T2-T37 HydrophobicContact CG2-CG2 4.44Å; T2-T37 WeakPolarHBondContact CG2-OG1 3.36Å; K35-T37 PolarHBondContact O-N 2.98Å; K35-T37 PolarHBondContact O-OG1 2.9Å; T37-V39 HydrophobicContact CG2-CG1 4.18Å; T37-I91 PolarHBondContact N-O 2.82Å; T37-I91 PolarHBondContact O-N 2.93Å
38K88.9Confident94.2Very high109 Ų10935.8 Ų35.847%0.47417%0.165SC..EExtended strand (participates in β ladder)trans-75.1124.9167.7-65-166.8171.7-158.70110.7D86 E89 V90K38-D86 IonicContact NZ-OD2 3.4Å; K38-D86 PolarHBondContact NZ-OD2 2.99Å; K38-E89 WeakPolarHBondContact CA-O 3.27Å; K38-V90 HydrophobicContact CG-CG2 4.4Å
39V89.8Confident94.2Very high0 Ų034.8 Ų34.80%016%0.163CC..EExtended strand (participates in β ladder)trans-121144.2177.2-56.90000109.4T37 I80 T88 E89 I91 L128T37-V39 HydrophobicContact CG2-CG1 4.18Å; V39-I80 HydrophobicContact CG2-CD1 4.19Å; V39-I80 HydrophobicContact CG2-CG2 4.12Å; V39-T88 CarbonylContact O-C 3.51Å; V39-T88 WeakPolarHBondContact O-CA 3.44Å; V39-E89 HydrophobicContact CG2-CB 4.14Å; V39-E89 WeakPolarHBondContact CG2-O 3.46Å; V39-E89 PolarHBondContact N-O 2.86Å; V39-E89 PolarHBondContact O-N 2.89Å; V39-I91 HydrophobicContact CB-CD1 4.47Å; V39-I91 HydrophobicContact CG1-CD1 3.91Å; V39-I91 HydrophobicContact CG1-CG1 4.24Å; V39-I91 HydrophobicContact CG2-CD1 3.75Å; V39-I91 HydrophobicContact CG2-CG1 3.83Å; V39-L128 HydrophobicContact CB-CD1 4.14Å; V39-L128 HydrophobicContact CG1-CD1 3.9Å
40Q89.3Confident94.2Very high40 Ų4034.8 Ų34.819%0.18716%0.163CC..EExtended strand (participates in β ladder)trans-90.6-42.5175.4-72.8176.3-19.100110.7E82 T88 K129Q40-E82 WeakPolarHBondContact O-CG 3.32Å; Q40-T88 HydrophobicContact CG-CG2 4.15Å; Q40-K129 HydrophobicContact CB-CB 4.29Å; Q40-K129 HydrophobicContact CB-CD 4.14Å; Q40-K129 HydrophobicContact CB-CG 4.26Å; Q40-K129 PolarHBondContact N-O 2.64Å
41S91.7Very high94.3Very high21 Ų2139.2 Ų39.215%0.14718%0.18CC..EExtended strand (participates in β ladder)trans-158.9149.4178.548.90000112.3K129S41-K129 PolarHBondContact N-O 3.19Å; S41-K129 PolarHBondContact O-N 2.89Å; S41-K129 WeakPolarHBondContact OG-CB 3.29Å
42L94.6Very high94.4Very high0 Ų039.2 Ų39.20%018%0.18CC..EExtended strand (participates in β ladder)trans-118.9117.6164.3179.362.5000107.9L6 I29 M79 I80 F98 E127 L128L6-L42 HydrophobicContact CD1-CD1 4.42Å; I29-L42 HydrophobicContact CG2-CD1 4.33Å; I29-L42 HydrophobicContact CG2-CD2 4.26Å; L42-M79 HydrophobicContact CB-CB 4.21Å; L42-M79 HydrophobicContact CD2-CB 3.95Å; L42-M79 HydrophobicContact CG-CB 3.98Å; L42-M79 HydrophobicContact CG-CG 4.44Å; L42-M79 PolarHBondContact O-N 2.82Å; L42-I80 HydrophobicContact CB-CB 3.85Å; L42-I80 HydrophobicContact CB-CD1 3.87Å; L42-I80 HydrophobicContact CB-CG1 3.98Å; L42-I80 HydrophobicContact CD2-CD1 4.24Å; L42-I80 PolarHBondContact N-O 2.83Å; L42-I80 PolarHBondContact O-N 2.72Å; L42-F98 HydrophobicContact CD2-CB 4.34Å; L42-F98 HydrophobicContact CD2-CD1 4.13Å; L42-F98 HydrophobicContact CD2-CD2 3.44Å; L42-F98 VanDerWaalsContact CD2-CD2 3.44Å; L42-F98 HydrophobicContact CD2-CE1 4.34Å; L42-F98 HydrophobicContact CD2-CE2 3.69Å; L42-F98 HydrophobicContact CD2-CG 3.69Å; L42-F98 HydrophobicContact CD2-CZ 4.15Å; L42-E127 WeakPolarHBondContact CA-O 3.49Å; L42-L128 HydrophobicContact CB-CD1 4.2Å; L42-L128 HydrophobicContact CD1-CB 4.12Å; L42-L128 HydrophobicContact CD1-CD1 4.06Å
43L95.8Very high94.5Very high18 Ų1838.6 Ų38.69%0.09418%0.182CC..EExtended strand (participates in β ladder)trans-115.9123-175.2-173.371.8000110.7I45 K76 H77 H78 A126 E127L43-I45 HydrophobicContact CD2-CD1 3.69Å; L43-I45 HydrophobicContact CD2-CG1 3.73Å; L43-I45 HydrophobicContact CG-CD1 4.24Å; L43-I45 HydrophobicContact CG-CG1 3.77Å; L43-K76 HydrophobicContact CD1-CB 4.21Å; L43-K76 HydrophobicContact CD2-CD 4.22Å; L43-K76 HydrophobicContact CD2-CG 4.41Å; L43-H77 WeakPolarHBondContact CD1-O 3.45Å; L43-H78 HydrophobicContact CD1-CB 4.48Å; L43-A126 CarbonylContact O-C 3.51Å; L43-A126 WeakPolarHBondContact O-CA 3.39Å; L43-E127 HydrophobicContact CB-CB 4.33Å; L43-E127 PolarHBondContact N-O 2.93Å; L43-E127 PolarHBondContact O-N 2.61Å
44F97.4Very high94.6Very high4 Ų439 Ų392%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-83.9138.2163.3169.7-100.5000110.1I8 I29 A46 K76 H77 M79 F100 F102 L124 K125I8-F44 HydrophobicContact CD1-CD2 4.09Å; I8-F44 HydrophobicContact CD1-CE2 4.11Å; I29-F44 HydrophobicContact CD1-CB 3.93Å; I29-F44 HydrophobicContact CD1-CD2 4.21Å; F44-A46 HydrophobicContact CE1-CB 4.15Å; F44-A46 HydrophobicContact CZ-CB 4.07Å; F44-K76 CarbonylContact O-C 3.53Å; F44-K76 WeakPolarHBondContact O-CA 3.45Å; F44-H77 HydrophobicContact CB-CB 4.34Å; F44-H77 HydrophobicContact CD1-CB 3.95Å; F44-H77 PolarHBondContact N-O 3.07Å; F44-H77 PolarHBondContact O-N 2.87Å; F44-M79 HydrophobicContact CB-CE 3.38Å; F44-M79 HydrophobicContact CB-CG 4.24Å; F44-M79 HydrophobicContact CD1-CE 4.39Å; F44-M79 HydrophobicContact CG-CE 3.88Å; F44-F100 HydrophobicContact CD2-CB 4.41Å; F44-F100 HydrophobicContact CD2-CD1 4.05Å; F44-F100 HydrophobicContact CD2-CD2 4.17Å; F44-F100 HydrophobicContact CD2-CE1 4.36Å; F44-F100 HydrophobicContact CD2-CE2 4.49Å; F44-F100 AromaticContact CD2-CG 3.95Å; F44-F100 HydrophobicContact CD2-CG 3.95Å; F44-F100 HydrophobicContact CE1-CD2 4.42Å; F44-F100 HydrophobicContact CE2-CB 4.49Å; F44-F100 HydrophobicContact CE2-CD1 4.03Å; F44-F100 AromaticContact CE2-CD2 3.47Å; F44-F100 HydrophobicContact CE2-CD2 3.47Å; F44-F100 VanDerWaalsContact CE2-CD2 3.47Å; F44-F100 HydrophobicContact CE2-CE1 4.08Å; F44-F100 AromaticContact CE2-CE2 3.56Å; F44-F100 HydrophobicContact CE2-CE2 3.56Å; F44-F100 AromaticContact CE2-CG 3.74Å; F44-F100 HydrophobicContact CE2-CG 3.74Å; F44-F100 AromaticContact CE2-CZ 3.87Å; F44-F100 HydrophobicContact CE2-CZ 3.87Å; F44-F100 AromaticContact CZ-CD2 3.61Å; F44-F100 HydrophobicContact CZ-CD2 3.61Å; F44-F100 AromaticContact CZ-CE2 3.88Å; F44-F100 HydrophobicContact CZ-CE2 3.88Å; F44-F100 HydrophobicContact CZ-CG 4.18Å; F44-F102 HydrophobicContact CE1-CB 3.99Å; F44-F102 HydrophobicContact CE1-CG 4.41Å; F44-F102 HydrophobicContact CZ-CB 3.81Å; F44-F102 HydrophobicContact CZ-CG 4.3Å; F44-L124 HydrophobicContact CE2-CB 4.19Å; F44-L124 HydrophobicContact CE2-CD2 3.97Å; F44-L124 HydrophobicContact CZ-CD2 3.8Å; F44-K125 CarbonylContact C-O 3.52Å; F44-K125 WeakPolarHBondContact CA-O 3.21Å
45I98Very high94.8Very high3 Ų340.3 Ų40.32%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-140.6119.9-179.6-47.3178.4000109.7L43 K47 V75 K76 L124 K125 E127L43-I45 HydrophobicContact CD2-CD1 3.69Å; L43-I45 HydrophobicContact CD2-CG1 3.73Å; L43-I45 HydrophobicContact CG-CD1 4.24Å; L43-I45 HydrophobicContact CG-CG1 3.77Å; I45-K47 HydrophobicContact CG2-CD 4.02Å; I45-K47 HydrophobicContact CG2-CG 3.81Å; I45-V75 CarbonylContact C-O 3.54Å; I45-V75 VanDerWaalsContact CA-O 3.27Å; I45-V75 WeakPolarHBondContact CA-O 3.38Å; I45-K76 HydrophobicContact CG1-CG 4.27Å; I45-K76 HydrophobicContact CG2-CG 4.19Å; I45-L124 CarbonylContact O-C 3.58Å; I45-L124 WeakPolarHBondContact O-CA 3.41Å; I45-K125 HydrophobicContact CB-CB 4.24Å; I45-K125 HydrophobicContact CD1-CD 4.47Å; I45-K125 PolarHBondContact N-O 3.07Å; I45-K125 PolarHBondContact O-N 3.28Å; I45-E127 HydrophobicContact CD1-CG 3.86Å; I45-E127 WeakPolarHBondContact CD1-OE2 3.41Å
46A98.1Very high94.9Very high0 Ų036 Ų360%017%0.174CC..EExtended strand (participates in β ladder)trans-101.1128.6168.700000109.7F44 Y73 S74 V75 F102 K123 L124F44-A46 HydrophobicContact CE1-CB 4.15Å; F44-A46 HydrophobicContact CZ-CB 4.07Å; A46-Y73 HydrophobicContact CB-CE2 4.13Å; A46-S74 CarbonylContact O-C 3.54Å; A46-S74 WeakPolarHBondContact O-CA 3.33Å; A46-V75 HydrophobicContact CB-CB 4.5Å; A46-V75 PolarHBondContact N-O 3.38Å; A46-V75 PolarHBondContact O-N 2.84Å; A46-F102 HydrophobicContact CB-CD1 3.74Å; A46-F102 HydrophobicContact CB-CD2 3.82Å; A46-F102 HydrophobicContact CB-CE1 3.62Å; A46-F102 HydrophobicContact CB-CE2 3.72Å; A46-F102 HydrophobicContact CB-CG 3.84Å; A46-F102 HydrophobicContact CB-CZ 3.61Å; A46-K123 CarbonylContact C-O 3.55Å; A46-K123 WeakPolarHBondContact CA-O 3.41Å; A46-L124 HydrophobicContact CB-CD2 3.84Å
47K97.6Very high95Very high67 Ų6736.3 Ų36.329%0.29118%0.175SC..EExtended strand (participates in β ladder)trans-134.3131.1-179.1-71.4-178167.8177.40111.5I45 Y73 S74 H122 K123I45-K47 HydrophobicContact CG2-CD 4.02Å; I45-K47 HydrophobicContact CG2-CG 3.81Å; K47-Y73 VanDerWaalsContact C-CE2 3.41Å; K47-Y73 WeakPolarHBondContact CA-O 3.37Å; K47-S74 VanDerWaalsContact CE-OG 3.29Å; K47-S74 WeakPolarHBondContact CE-OG 3.35Å; K47-H122 CarbonylContact O-C 3.53Å; K47-H122 WeakPolarHBondContact O-CA 3.29Å; K47-K123 HydrophobicContact CB-CG 4.06Å; K47-K123 PolarHBondContact N-O 3.31Å; K47-K123 PolarHBondContact O-N 2.58Å
48G97.8Very high95Very high0 Ų041.6 Ų41.60%020%0.195CC..EExtended strand (participates in β ladder)trans-121.6123.5167.500000109.2Y72 Y73 V121G48-Y72 PolarHBondContact O-N 3.21Å; G48-Y73 VanDerWaalsContact N-CE2 3.26Å; G48-Y73 VanDerWaalsContact N-CZ 3.34Å; G48-Y73 PolarHBondContact N-O 3.41Å; G48-Y73 VanDerWaalsContact N-O 3.09Å; G48-Y73 PolarHBondContact O-N 3.31Å; G48-V121 WeakPolarHBondContact CA-O 3.35Å
49K97.6Very high94.7Very high70 Ų7038.4 Ų38.430%0.30419%0.194SC..EExtended strand (participates in β ladder)trans-153.6151177.969.9174-164.7158.20113.1E70 V121K49-E70 CarbonylContact C-O 3.57Å; K49-E70 WeakPolarHBondContact CA-O 3.39Å; K49-E70 VanDerWaalsContact CB-O 3.31Å; K49-E70 WeakPolarHBondContact CB-O 3.43Å; K49-V121 PolarHBondContact N-O 2.82Å; K49-V121 PolarHBondContact O-N 2.83Å
50A98.3Very high94.3Very high0 Ų045.8 Ų45.80%023%0.233CC..EExtended strand (participates in β ladder)trans-90.6150.3163.200000110.4D69 E70 Y72 R119 I120 I266A50-D69 WeakPolarHBondContact O-CA 3.43Å; A50-E70 HydrophobicContact CB-CB 4.23Å; A50-E70 PolarHBondContact N-O 3.19Å; A50-E70 PolarHBondContact O-N 2.75Å; A50-E70 VanDerWaalsContact O-N 3.08Å; A50-Y72 HydrophobicContact CB-CE2 4.06Å; A50-Y72 WeakPolarHBondContact CB-OH 3.45Å; A50-R119 CarbonylContact C-O 3.58Å; A50-R119 WeakPolarHBondContact CA-O 3.2Å; A50-I120 HydrophobicContact CB-CG1 3.74Å; A50-I266 HydrophobicContact CB-CD1 3.78Å; A50-I266 HydrophobicContact CB-CG1 3.98Å
51R98.1Very high94Very high101 Ų10152 Ų5238%0.38127%0.267SS..EExtended strand (participates in β ladder)trans-145.4133.7169.1-173-179.7-177.5-174.2-1.9108.9S68 G118 R119R51-S68 WeakPolarHBondContact CA-O 3.48Å; R51-G118 CarbonylContact O-C 3.51Å; R51-G118 VanDerWaalsContact O-CA 3.31Å; R51-G118 WeakPolarHBondContact O-CA 3.47Å; R51-R119 PolarHBondContact N-O 2.81Å; R51-R119 PolarHBondContact O-N 3.27Å
52V98.4Very high93.8Very high0 Ų057.1 Ų57.10%029%0.289CS..EExtended strand (participates in β ladder)trans-118146.4167.8-57.30000109.6W54 W67 S68 V117 F217 F218 A219 I266 L267V52-W54 HydrophobicContact CB-CZ3 4.39Å; V52-W54 HydrophobicContact CG2-CZ3 4.02Å; V52-W67 VanDerWaalsContact O-CA 3.27Å; V52-W67 WeakPolarHBondContact O-CA 3.46Å; V52-S68 PolarHBondContact N-O 3.39Å; V52-S68 PolarHBondContact O-N 2.86Å; V52-S68 VanDerWaalsContact O-N 3.09Å; V52-V117 CarbonylContact C-O 3.58Å; V52-V117 VanDerWaalsContact CA-O 3.3Å; V52-V117 WeakPolarHBondContact CA-O 3.4Å; V52-F217 HydrophobicContact CB-CB 4.4Å; V52-F217 HydrophobicContact CG1-CB 4.22Å; V52-F217 HydrophobicContact CG1-CD1 3.81Å; V52-F217 HydrophobicContact CG1-CG 4.5Å; V52-F218 WeakPolarHBondContact CG2-O 3.47Å; V52-A219 HydrophobicContact CG2-CB 4.05Å; V52-I266 HydrophobicContact CG1-CB 4.47Å; V52-I266 HydrophobicContact CG1-CD1 4.22Å; V52-I266 HydrophobicContact CG1-CG1 4.22Å; V52-I266 WeakPolarHBondContact CG1-O 3.19Å; V52-I266 HydrophobicContact CG2-CB 4.32Å; V52-I266 HydrophobicContact CG2-CD1 4.29Å; V52-L267 HydrophobicContact CG1-CB 4.22Å; V52-L267 HydrophobicContact CG1-CD1 4.37Å
53C97.6Very high93.7Very high49 Ų4960.6 Ų60.633%0.33131%0.31SS..EExtended strand (participates in β ladder)trans-156.8127.8178.2-166.70000109.1Y66 W67 V117C53-Y66 CarbonylContact C-O 3.59Å; C53-Y66 VanDerWaalsContact CA-O 3.23Å; C53-Y66 WeakPolarHBondContact CA-O 3.37Å; C53-W67 HydrophobicContact CB-CB 4.4Å; C53-V117 PolarHBondContact N-O 2.93Å; C53-V117 VanDerWaalsContact O-O 3.12Å
54W97.3Very high93.6Very high12 Ų1263.8 Ų63.85%0.04532%0.324CS..EExtended strand (participates in β ladder)trans-150159.6168.469.594.3000111.1V52 E56 V65 Y66 V117 F217 A219 Q222 K224V52-W54 HydrophobicContact CB-CZ3 4.39Å; V52-W54 HydrophobicContact CG2-CZ3 4.02Å; W54-E56 PolarHBondContact NE1-OE1 2.94Å; W54-V65 CarbonylContact O-C 3.51Å; W54-Y66 AromaticContact CD1-CD2 3.89Å; W54-Y66 VanDerWaalsContact CE2-CB 3.41Å; W54-Y66 AromaticContact CE2-CD2 3.78Å; W54-Y66 AromaticContact CE2-CG 3.77Å; W54-Y66 HydrophobicContact CZ2-CD2 4.17Å; W54-Y66 AromaticContact CZ2-CG 3.82Å; W54-Y66 HydrophobicContact CZ2-CG 3.82Å; W54-Y66 PolarHBondContact N-O 2.82Å; W54-Y66 AromaticContact NE1-CD2 3.33Å; W54-Y66 VanDerWaalsContact NE1-CD2 3.33Å; W54-Y66 AromaticContact NE1-CG 3.84Å; W54-Y66 PolarHBondContact O-N 2.77Å; W54-V117 HydrophobicContact CB-CG1 4.02Å; W54-V117 HydrophobicContact CB-CG2 4.42Å; W54-V117 HydrophobicContact CD2-CG1 4.33Å; W54-V117 HydrophobicContact CE3-CG1 3.82Å; W54-V117 HydrophobicContact CG-CG1 4.46Å; W54-F217 HydrophobicContact CE3-CB 4.4Å; W54-F217 HydrophobicContact CZ3-CB 4Å; W54-A219 HydrophobicContact CH2-CB 3.49Å; W54-A219 VanDerWaalsContact CH2-CB 3.49Å; W54-A219 HydrophobicContact CZ2-CB 4.48Å; W54-A219 HydrophobicContact CZ3-CB 3.53Å; W54-Q222 HydrophobicContact CZ2-CB 4.1Å; W54-K224 HydrophobicContact CB-CD 3.89Å; W54-K224 VanDerWaalsContact CD1-CD 3.43Å; W54-K224 HydrophobicContact CD2-CB 4.04Å; W54-K224 HydrophobicContact CD2-CD 3.9Å; W54-K224 HydrophobicContact CE3-CB 4.47Å; W54-K224 HydrophobicContact CG-CB 4.48Å; W54-K224 HydrophobicContact CG-CD 3.45Å; W54-K224 VanDerWaalsContact CG-CD 3.45Å; W54-K224 HydrophobicContact CH2-CB 4.4Å; W54-K224 HydrophobicContact CZ2-CB 3.98Å
55S94.9Very high93.6Very high57 Ų5766.8 Ų66.840%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-111.2147.3175.4-48.10000110.4H64S55-H64 CarbonylContact C-O 3.56Å; S55-H64 VanDerWaalsContact CA-O 3.28Å; S55-H64 WeakPolarHBondContact CA-O 3.48Å
56E93.9Very high93.6Very high58 Ų5867.7 Ų67.727%0.27135%0.346SS..EExtended strand (participates in β ladder)trans-128.6139.3169.7-64.6-175.5-170.300109.2W54 Y58 T63 H64 Y66W54-E56 PolarHBondContact NE1-OE1 2.94Å; E56-Y58 HydrophobicContact CB-CE1 4.48Å; E56-Y58 HydrophobicContact CB-CE2 3.95Å; E56-Y58 PolarHBondContact OE2-OH 2.8Å; E56-T63 WeakPolarHBondContact O-CA 3.39Å; E56-H64 PolarHBondContact N-O 3.08Å; E56-H64 PolarHBondContact O-N 3.28Å; E56-Y66 HydrophobicContact CB-CE2 4.16Å; E56-Y66 HydrophobicContact CG-CD2 4.25Å; E56-Y66 HydrophobicContact CG-CE2 4.06Å
57H91.6Very high93.5Very high144 Ų14473.5 Ų73.567%0.66737%0.368SS*.EExtended strand (participates in β ladder)trans-106.7123.9179.7-59.9-74.3000108.5T63H57-T63 PolarHBondContact CE1-OG1 2.8Å; H57-T63 VanDerWaalsContact CE1-OG1 3.32Å; H57-T63 PolarHBondContact ND1-OG1 3.26Å
58Y87.6Confident93.6Very high120 Ų12071.7 Ų71.747%0.47136%0.364SS..  trans-105.516.2-175.9-64.1-72.6000113.4E56 Q62 H64 Y66E56-Y58 HydrophobicContact CB-CE1 4.48Å; E56-Y58 HydrophobicContact CB-CE2 3.95Å; E56-Y58 PolarHBondContact OE2-OH 2.8Å; Y58-Q62 PolarHBondContact N-O 2.81Å; Y58-H64 HydrophobicContact CD2-CB 4.28Å; Y58-H64 HydrophobicContact CE2-CB 3.73Å; Y58-Y66 WeakPolarHBondContact OH-CE2 3.27Å; Y58-Y66 PolarHBondContact OH-OH 3.48Å
59G83.9Confident93.6Very high43 Ų4375.5 Ų75.544%0.44339%0.385SS..SBendtrans79.6176-170.100000112.3N61 Q62G59-N61 VanDerWaalsContact C-N 3.26Å; G59-N61 PolarHBondContact O-N 3.49Å; G59-N61 VanDerWaalsContact O-N 3.13Å; G59-Q62 WeakPolarHBondContact O-CB 3.5Å; G59-Q62 PolarHBondContact O-N 3.27Å
60N81.9Confident93.5Very high154 Ų15474.4 Ų74.482%0.82438%0.381SS*.THydrogen-bonded Turntrans50.836.7179-6513.5000115.2Q62N60-Q62 PolarHBondContact O-N 2.83Å; N60-Q62 VanDerWaalsContact O-N 3.09Å
61N81.8Confident93.5Very high170 Ų17080.7 Ų80.791%0.90941%0.408SS*.THydrogen-bonded Turntrans57.716.3-174.1-67.3-12.5000115.1G59 T63G59-N61 VanDerWaalsContact C-N 3.26Å; G59-N61 PolarHBondContact O-N 3.49Å; G59-N61 VanDerWaalsContact O-N 3.13Å; N61-T63 PolarHBondContact O-N 3.12Å
62Q88.8Confident93.4Very high130 Ų13077.1 Ų77.161%0.60740%0.395SS*.  trans-86110.9175.4-64.2-173.98.300110.1Y58 G59 N60Y58-Q62 PolarHBondContact N-O 2.81Å; G59-Q62 WeakPolarHBondContact O-CB 3.5Å; G59-Q62 PolarHBondContact O-N 3.27Å; N60-Q62 PolarHBondContact O-N 2.83Å; N60-Q62 VanDerWaalsContact O-N 3.09Å
63T91.5Very high93.3Very high73 Ų7377.6 Ų77.645%0.44840%0.397SS..EExtended strand (participates in β ladder)trans-112.7121.8172.6-55.90000108.5E56 H57 N61E56-T63 WeakPolarHBondContact O-CA 3.39Å; H57-T63 PolarHBondContact CE1-OG1 2.8Å; H57-T63 VanDerWaalsContact CE1-OG1 3.32Å; H57-T63 PolarHBondContact ND1-OG1 3.26Å; N61-T63 PolarHBondContact O-N 3.12Å
64H94.1Very high93.3Very high84 Ų8476.9 Ų76.939%0.38939%0.392SS..EExtended strand (participates in β ladder)trans-103134.3172.4-162.684.5000110.1S55 E56 Y58 Y66S55-H64 CarbonylContact C-O 3.56Å; S55-H64 VanDerWaalsContact CA-O 3.28Å; S55-H64 WeakPolarHBondContact CA-O 3.48Å; E56-H64 PolarHBondContact N-O 3.08Å; E56-H64 PolarHBondContact O-N 3.28Å; Y58-H64 HydrophobicContact CD2-CB 4.28Å; Y58-H64 HydrophobicContact CE2-CB 3.73Å; H64-Y66 HydrophobicContact CB-CE2 4.21Å; H64-Y66 AromaticContact CD2-CD1 3.63Å; H64-Y66 AromaticContact CD2-CD2 3.87Å; H64-Y66 AromaticContact CD2-CE1 3.25Å; H64-Y66 WeakPolarHBondContact CD2-CE1 3.2Å; H64-Y66 AromaticContact CD2-CE2 3.55Å; H64-Y66 AromaticContact CD2-CG 3.91Å; H64-Y66 AromaticContact CD2-CZ 3.21Å; H64-Y66 AromaticContact CG-CZ 3.98Å; H64-Y66 AromaticContact NE2-CD1 3.91Å; H64-Y66 AromaticContact NE2-CE1 3.55Å; H64-Y66 AromaticContact NE2-CZ 3.95Å
65V96.4Very high93.2Very high67 Ų6779.3 Ų79.341%0.40641%0.408SS..EExtended strand (participates in β ladder)trans-108.7108.5178.5-175.60000109.3W54W54-V65 CarbonylContact O-C 3.51Å
66Y97.6Very high93.3Very high22 Ų2282.9 Ų82.99%0.08642%0.417CS..EExtended strand (participates in β ladder)trans-85.1131.7174.3-64.8-75.2000110.2C53 W54 E56 Y58 H64 Q220 Q222C53-Y66 CarbonylContact C-O 3.59Å; C53-Y66 VanDerWaalsContact CA-O 3.23Å; C53-Y66 WeakPolarHBondContact CA-O 3.37Å; W54-Y66 AromaticContact CD1-CD2 3.89Å; W54-Y66 VanDerWaalsContact CE2-CB 3.41Å; W54-Y66 AromaticContact CE2-CD2 3.78Å; W54-Y66 AromaticContact CE2-CG 3.77Å; W54-Y66 HydrophobicContact CZ2-CD2 4.17Å; W54-Y66 AromaticContact CZ2-CG 3.82Å; W54-Y66 HydrophobicContact CZ2-CG 3.82Å; W54-Y66 PolarHBondContact N-O 2.82Å; W54-Y66 AromaticContact NE1-CD2 3.33Å; W54-Y66 VanDerWaalsContact NE1-CD2 3.33Å; W54-Y66 AromaticContact NE1-CG 3.84Å; W54-Y66 PolarHBondContact O-N 2.77Å; E56-Y66 HydrophobicContact CB-CE2 4.16Å; E56-Y66 HydrophobicContact CG-CD2 4.25Å; E56-Y66 HydrophobicContact CG-CE2 4.06Å; Y58-Y66 WeakPolarHBondContact OH-CE2 3.27Å; Y58-Y66 PolarHBondContact OH-OH 3.48Å; H64-Y66 HydrophobicContact CB-CE2 4.21Å; H64-Y66 AromaticContact CD2-CD1 3.63Å; H64-Y66 AromaticContact CD2-CD2 3.87Å; H64-Y66 AromaticContact CD2-CE1 3.25Å; H64-Y66 WeakPolarHBondContact CD2-CE1 3.2Å; H64-Y66 AromaticContact CD2-CE2 3.55Å; H64-Y66 AromaticContact CD2-CG 3.91Å; H64-Y66 AromaticContact CD2-CZ 3.21Å; H64-Y66 AromaticContact CG-CZ 3.98Å; H64-Y66 AromaticContact NE2-CD1 3.91Å; H64-Y66 AromaticContact NE2-CE1 3.55Å; H64-Y66 AromaticContact NE2-CZ 3.95Å; Y66-Q220 HydrophobicContact CD1-CB 4.29Å; Y66-Q222 HydrophobicContact CD1-CB 3.98Å; Y66-Q222 HydrophobicContact CD1-CG 3.9Å; Y66-Q222 HydrophobicContact CE1-CB 3.91Å; Y66-Q222 HydrophobicContact CE1-CG 3.31Å
67W97.8Very high93.3Very high122 Ų12285.2 Ų85.246%0.46243%0.427SS..EExtended strand (participates in β ladder)trans-151.2153.3176.166.3-84.1000112.2V52 C53 A219V52-W67 VanDerWaalsContact O-CA 3.27Å; V52-W67 WeakPolarHBondContact O-CA 3.46Å; C53-W67 HydrophobicContact CB-CB 4.4Å; W67-A219 VanDerWaalsContact C-CB 3.44Å; W67-A219 WeakPolarHBondContact O-CB 3.49Å
68S98.3Very high93.3Very high30 Ų3082 Ų8221%0.2141%0.412CS..EExtended strand (participates in β ladder)trans-152.8153.5171.7-168.50000110.1R51 V52 I266R51-S68 WeakPolarHBondContact CA-O 3.48Å; V52-S68 PolarHBondContact N-O 3.39Å; V52-S68 PolarHBondContact O-N 2.86Å; V52-S68 VanDerWaalsContact O-N 3.09Å; S68-I266 WeakPolarHBondContact OG-CG2 3.3Å
69D97.3Very high93.5Very high80 Ų8078.1 Ų78.143%0.42840%0.399SS..EExtended strand (participates in β ladder)trans-132.8140.9173.375-90.6000111.6A50A50-D69 WeakPolarHBondContact O-CA 3.43Å
70E97.4Very high93.6Very high46 Ų4676.3 Ų76.322%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-126.4113.7177.3-178.6176.9-146.200107.5K49 A50 Y72 C264 S265 I266K49-E70 CarbonylContact C-O 3.57Å; K49-E70 WeakPolarHBondContact CA-O 3.39Å; K49-E70 VanDerWaalsContact CB-O 3.31Å; K49-E70 WeakPolarHBondContact CB-O 3.43Å; A50-E70 HydrophobicContact CB-CB 4.23Å; A50-E70 PolarHBondContact N-O 3.19Å; A50-E70 PolarHBondContact O-N 2.75Å; A50-E70 VanDerWaalsContact O-N 3.08Å; E70-Y72 HydrophobicContact CG-CE1 3.84Å; E70-Y72 PolarHBondContact OE2-OH 3.08Å; E70-C264 PolarHBondContact OE2-SG 3.21Å; E70-S265 PolarHBondContact OE1-OG 3.05Å; E70-S265 PolarHBondContact OE2-N 2.64Å; E70-S265 PolarHBondContact OE2-OG 2.81Å; E70-S265 VanDerWaalsContact OE2-OG 3.11Å; E70-I266 HydrophobicContact CB-CD1 3.95Å; E70-I266 HydrophobicContact CB-CG1 4.12Å
71K96.9Very high93.2Very high132 Ų13277.2 Ų77.257%0.57437%0.371SS*.EExtended strand (participates in β ladder)trans-92.1119.4-178.6-178.2-171175.6-1670109.1
72Y96.4Very high92.5Very high27 Ų2774.5 Ų74.511%0.10635%0.353CS..EExtended strand (participates in β ladder)trans-78.9-72.3168-52.3-64.1000107.8G48 A50 E70 R107 M109 P110 I120 C264G48-Y72 PolarHBondContact O-N 3.21Å; A50-Y72 HydrophobicContact CB-CE2 4.06Å; A50-Y72 WeakPolarHBondContact CB-OH 3.45Å; E70-Y72 HydrophobicContact CG-CE1 3.84Å; E70-Y72 PolarHBondContact OE2-OH 3.08Å; Y72-R107 PolarHBondContact O-NH2 2.87Å; Y72-M109 HydrophobicContact CD1-CG 4.3Å; Y72-M109 HydrophobicContact CG-CB 4.45Å; Y72-M109 HydrophobicContact CG-CG 4.23Å; Y72-P110 HydrophobicContact CD2-CG 4.34Å; Y72-P110 VanDerWaalsContact CE1-CD 3.48Å; Y72-P110 HydrophobicContact CE1-CG 4.07Å; Y72-P110 HydrophobicContact CE2-CG 3.45Å; Y72-P110 VanDerWaalsContact CE2-CG 3.45Å; Y72-P110 VanDerWaalsContact OH-CG 3.3Å; Y72-P110 WeakPolarHBondContact OH-CG 3.03Å; Y72-I120 HydrophobicContact CE2-CG2 4.41Å; Y72-C264 PolarHBondContact OH-SG 3.14Å
73Y96.7Very high91.2Very high10 Ų1072.6 Ų72.64%0.03935%0.354CS..EExtended strand (participates in β ladder)trans-131.3157.8-17862.1-91.3000113.2A46 K47 G48 F102 P105 M109 H122 F142A46-Y73 HydrophobicContact CB-CE2 4.13Å; K47-Y73 VanDerWaalsContact C-CE2 3.41Å; K47-Y73 WeakPolarHBondContact CA-O 3.37Å; G48-Y73 VanDerWaalsContact N-CE2 3.26Å; G48-Y73 VanDerWaalsContact N-CZ 3.34Å; G48-Y73 PolarHBondContact N-O 3.41Å; G48-Y73 VanDerWaalsContact N-O 3.09Å; G48-Y73 PolarHBondContact O-N 3.31Å; Y73-F102 AromaticContact CD2-CZ 3.83Å; Y73-F102 HydrophobicContact CD2-CZ 3.83Å; Y73-F102 AromaticContact CE2-CE1 3.95Å; Y73-F102 HydrophobicContact CE2-CE1 3.95Å; Y73-F102 AromaticContact CE2-CZ 3.52Å; Y73-F102 HydrophobicContact CE2-CZ 3.52Å; Y73-P105 HydrophobicContact CD1-CG 4.04Å; Y73-P105 HydrophobicContact CG-CG 4Å; Y73-M109 HydrophobicContact CD1-CE 4.44Å; Y73-M109 HydrophobicContact CD1-SD 3.68Å; Y73-M109 HydrophobicContact CE1-CE 4.36Å; Y73-M109 HydrophobicContact CE1-SD 4.05Å; Y73-H122 AromaticContact CE1-CE1 3.75Å; Y73-H122 AromaticContact CE1-ND1 3.41Å; Y73-H122 WeakPolarHBondContact CE1-ND1 3.46Å; Y73-H122 AromaticContact CZ-ND1 3.51Å; Y73-H122 PolarHBondContact OH-ND1 2.79Å; Y73-F142 WeakPolarHBondContact OH-CZ 3.35Å
74S96.7Very high89.8Confident34 Ų3476.3 Ų76.324%0.23836%0.359CS..EExtended strand (participates in β ladder)trans-150.789.1168.3173.30000109.4A46 K47A46-S74 CarbonylContact O-C 3.54Å; A46-S74 WeakPolarHBondContact O-CA 3.33Å; K47-S74 VanDerWaalsContact CE-OG 3.29Å; K47-S74 WeakPolarHBondContact CE-OG 3.35Å
75V96.4Very high88.3Confident63 Ų6382.6 Ų82.638%0.38239%0.389SS..EExtended strand (participates in β ladder)trans-87.9139.7176.1-1790000108.7I45 A46 F102I45-V75 CarbonylContact C-O 3.54Å; I45-V75 VanDerWaalsContact CA-O 3.27Å; I45-V75 WeakPolarHBondContact CA-O 3.38Å; A46-V75 HydrophobicContact CB-CB 4.5Å; A46-V75 PolarHBondContact N-O 3.38Å; A46-V75 PolarHBondContact O-N 2.84Å; V75-F102 HydrophobicContact CB-CD2 4.37Å; V75-F102 HydrophobicContact CB-CE2 4Å; V75-F102 HydrophobicContact CG2-CE2 3.78Å
76K95.8Very high86.9Confident132 Ų13283.3 Ų83.357%0.57439%0.39SS*.EExtended strand (participates in β ladder)trans-126.8130.6178.4-71.4-178.1-179.2176.30108.2L43 F44 I45L43-K76 HydrophobicContact CD1-CB 4.21Å; L43-K76 HydrophobicContact CD2-CD 4.22Å; L43-K76 HydrophobicContact CD2-CG 4.41Å; F44-K76 CarbonylContact O-C 3.53Å; F44-K76 WeakPolarHBondContact O-CA 3.45Å; I45-K76 HydrophobicContact CG1-CG 4.27Å; I45-K76 HydrophobicContact CG2-CG 4.19Å
77H93.8Very high85.5Confident106 Ų10683.2 Ų83.249%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-132.4126.3176.1-170.983.9000109.6L43 F44 M79L43-H77 WeakPolarHBondContact CD1-O 3.45Å; F44-H77 HydrophobicContact CB-CB 4.34Å; F44-H77 HydrophobicContact CD1-CB 3.95Å; F44-H77 PolarHBondContact N-O 3.07Å; F44-H77 PolarHBondContact O-N 2.87Å; H77-M79 PolarHBondContact O-N 3.13Å
78H92.8Very high84.6Confident78 Ų7877.7 Ų77.736%0.36138%0.376SS..EExtended strand (participates in β ladder)trans-83.7115178.5-73.5-102.9000108.9L43 R81L43-H78 HydrophobicContact CD1-CB 4.48Å; H78-R81 HydrophobicContact CB-CG 3.56Å
79M90.4Very high83.9Confident38 Ų3879.5 Ų79.519%0.18738%0.381CS..EExtended strand (participates in β ladder)trans-80.8-33.4174.6-61.7-61.8171.600111.5I29 L42 F44 H77 F98 F100I29-M79 HydrophobicContact CD1-CE 4.45Å; I29-M79 HydrophobicContact CD1-CG 4.11Å; L42-M79 HydrophobicContact CB-CB 4.21Å; L42-M79 HydrophobicContact CD2-CB 3.95Å; L42-M79 HydrophobicContact CG-CB 3.98Å; L42-M79 HydrophobicContact CG-CG 4.44Å; L42-M79 PolarHBondContact O-N 2.82Å; F44-M79 HydrophobicContact CB-CE 3.38Å; F44-M79 HydrophobicContact CB-CG 4.24Å; F44-M79 HydrophobicContact CD1-CE 4.39Å; F44-M79 HydrophobicContact CG-CE 3.88Å; H77-M79 PolarHBondContact O-N 3.13Å; M79-F98 HydrophobicContact CB-CB 4.34Å; M79-F98 HydrophobicContact CB-CD1 4.25Å; M79-F98 HydrophobicContact CB-CG 4.46Å; M79-F98 HydrophobicContact CG-CB 4.36Å; M79-F98 HydrophobicContact SD-CB 4.46Å; M79-F100 HydrophobicContact CE-CB 3.32Å; M79-F100 HydrophobicContact CE-CG 4.39Å
80I87.3Confident83.5Confident5 Ų577.7 Ų77.73%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-129.1128.9174-68.4174.2000106.8V39 L42 E89 I91 F98V39-I80 HydrophobicContact CG2-CD1 4.19Å; V39-I80 HydrophobicContact CG2-CG2 4.12Å; L42-I80 HydrophobicContact CB-CB 3.85Å; L42-I80 HydrophobicContact CB-CD1 3.87Å; L42-I80 HydrophobicContact CB-CG1 3.98Å; L42-I80 HydrophobicContact CD2-CD1 4.24Å; L42-I80 PolarHBondContact N-O 2.83Å; L42-I80 PolarHBondContact O-N 2.72Å; I80-E89 HydrophobicContact CG2-CB 3.98Å; I80-E89 WeakPolarHBondContact CG2-OE2 3.36Å; I80-I91 HydrophobicContact CD1-CD1 3.66Å; I80-I91 HydrophobicContact CD1-CG1 4.42Å; I80-F98 HydrophobicContact CD1-CE1 3.69Å; I80-F98 HydrophobicContact CD1-CZ 3.65Å; I80-F98 HydrophobicContact CG1-CD1 4.44Å; I80-F98 HydrophobicContact CG1-CE1 3.77Å; I80-F98 HydrophobicContact CG1-CZ 4.27Å
81R72.4Confident83.1Confident173 Ų17375.9 Ų75.965%0.65337%0.365SS*.  trans-116.4148.5174.2-71.6-173.1178.2-1801.3109.6H78 S83H78-R81 HydrophobicContact CB-CG 3.56Å; R81-S83 PolarHBondContact O-N 3.4Å; R81-S83 VanDerWaalsContact O-N 3.12Å
82E67.9Low82.9Confident113 Ų11372.8 Ų72.853%0.52836%0.36SS..  trans-56.9114174.4-57.9177.8174.900108.6Q40 G87Q40-E82 WeakPolarHBondContact O-CG 3.32Å; E82-G87 WeakPolarHBondContact CG-O 3.43Å
83S60.3Low82.8Confident89 Ų8980.9 Ų80.962%0.62239%0.39SS*.  trans-119-18.8-174.662.70000113.9R81R81-S83 PolarHBondContact O-N 3.4Å; R81-S83 VanDerWaalsContact O-N 3.12Å
84R62.7Low82.7Confident151 Ų15181.7 Ų81.757%0.5740%0.402SS*.SBendtrans-97.2159.4-179.1-62.1-176177.8-118.2-1.1111.7D86 G87 T88R84-D86 WeakPolarHBondContact CB-OD1 3.49Å; R84-D86 PolarHBondContact O-N 2.73Å; R84-D86 VanDerWaalsContact O-N 3.08Å; R84-G87 PolarHBondContact O-N 2.95Å; R84-T88 WeakPolarHBondContact CB-O 3.08Å; R84-T88 WeakPolarHBondContact CD-O 3.29Å; R84-T88 VanDerWaalsContact CG-O 3.31Å; R84-T88 WeakPolarHBondContact CG-O 3.36Å
85Q62.7Low82.6Confident216 Ų21686.9 Ų86.9100%1.00942%0.42SS*.THydrogen-bonded Turntrans-54.4-25.4173.9-75.8173.6-2300113.3
86D66.6Low82.6Confident82 Ų8285.9 Ų85.944%0.43941%0.411SS..THydrogen-bonded Turntrans-88.93.3176.276.3-8.7000114.3K38 R84 T88K38-D86 IonicContact NZ-OD2 3.4Å; K38-D86 PolarHBondContact NZ-OD2 2.99Å; R84-D86 WeakPolarHBondContact CB-OD1 3.49Å; R84-D86 PolarHBondContact O-N 2.73Å; R84-D86 VanDerWaalsContact O-N 3.08Å; D86-T88 VanDerWaalsContact C-N 3.28Å; D86-T88 PolarHBondContact O-N 3.08Å; D86-T88 PolarHBondContact OD1-N 3.2Å; D86-T88 VanDerWaalsContact OD1-N 3.08Å; D86-T88 PolarHBondContact OD1-OG1 3.19Å; D86-T88 PolarHBondContact OD2-OG1 2.91Å; D86-T88 VanDerWaalsContact OD2-OG1 3.05Å
87G69.9Low82.6Confident20 Ų2083.4 Ų83.421%0.20641%0.407CS..SBendtrans69.520.7179.800000114.1E82 R84E82-G87 WeakPolarHBondContact CG-O 3.43Å; R84-G87 PolarHBondContact O-N 2.95Å
88T77.4Confident82.8Confident7 Ų780.1 Ų80.14%0.04339%0.391CS..  trans-130.5153.5-178.572.40000112.9V39 Q40 R84 D86 S131V39-T88 CarbonylContact O-C 3.51Å; V39-T88 WeakPolarHBondContact O-CA 3.44Å; Q40-T88 HydrophobicContact CG-CG2 4.15Å; R84-T88 WeakPolarHBondContact CB-O 3.08Å; R84-T88 WeakPolarHBondContact CD-O 3.29Å; R84-T88 VanDerWaalsContact CG-O 3.31Å; R84-T88 WeakPolarHBondContact CG-O 3.36Å; D86-T88 VanDerWaalsContact C-N 3.28Å; D86-T88 PolarHBondContact O-N 3.08Å; D86-T88 PolarHBondContact OD1-N 3.2Å; D86-T88 VanDerWaalsContact OD1-N 3.08Å; D86-T88 PolarHBondContact OD1-OG1 3.19Å; D86-T88 PolarHBondContact OD2-OG1 2.91Å; D86-T88 VanDerWaalsContact OD2-OG1 3.05Å; T88-S131 WeakPolarHBondContact CG2-OG 3.39Å
89E84.6Confident82.9Confident67 Ų6781.1 Ų81.131%0.31341%0.405SS..EExtended strand (participates in β ladder)trans-112.6143.8168.6-166171.6166.300109.5K38 V39 I80K38-E89 WeakPolarHBondContact CA-O 3.27Å; V39-E89 HydrophobicContact CG2-CB 4.14Å; V39-E89 WeakPolarHBondContact CG2-O 3.46Å; V39-E89 PolarHBondContact N-O 2.86Å; V39-E89 PolarHBondContact O-N 2.89Å; I80-E89 HydrophobicContact CG2-CB 3.98Å; I80-E89 WeakPolarHBondContact CG2-OE2 3.36Å
90V87.7Confident83.2Confident43 Ų4379.8 Ų79.826%0.26140%0.398SS..EExtended strand (participates in β ladder)trans-99.6117.4-178-178.10000108.8E36 K38E36-V90 HydrophobicContact CG-CG1 3.24Å; E36-V90 WeakPolarHBondContact OE1-CG1 3.22Å; K38-V90 HydrophobicContact CG-CG2 4.4Å
91I89.6Confident83.7Confident8 Ų884.3 Ų84.34%0.04143%0.426CS..EExtended strand (participates in β ladder)trans-98.2119.3174.2-60.6-170.9000108.8L31 V33 E36 T37 V39 I80 H96 F98L31-I91 HydrophobicContact CD2-CD1 3.45Å; L31-I91 VanDerWaalsContact CD2-CD1 3.45Å; V33-I91 HydrophobicContact CG2-CG2 3.84Å; E36-I91 WeakPolarHBondContact CA-O 3.29Å; T37-I91 PolarHBondContact N-O 2.82Å; T37-I91 PolarHBondContact O-N 2.93Å; V39-I91 HydrophobicContact CB-CD1 4.47Å; V39-I91 HydrophobicContact CG1-CD1 3.91Å; V39-I91 HydrophobicContact CG1-CG1 4.24Å; V39-I91 HydrophobicContact CG2-CD1 3.75Å; V39-I91 HydrophobicContact CG2-CG1 3.83Å; I80-I91 HydrophobicContact CD1-CD1 3.66Å; I80-I91 HydrophobicContact CD1-CG1 4.42Å; I91-H96 WeakPolarHBondContact CG2-CD2 3.31Å; I91-H96 WeakPolarHBondContact CG2-NE2 3.25Å; I91-F98 HydrophobicContact CD1-CZ 4.49Å
92S92.4Very high84.8Confident67 Ų6776.5 Ų76.547%0.46940%0.396SS..PPolyproline II helixtrans-65.6158.6178.461.70000112V33 G94 H96V33-S92 WeakPolarHBondContact CG2-O 3.44Å; S92-G94 PolarHBondContact O-N 3.39Å; S92-H96 PolarHBondContact O-NE2 2.77Å; S92-H96 PolarHBondContact OG-CE1 2.88Å
93R94.3Very high86.1Confident196 Ų19677.9 Ų77.974%0.7440%0.401SS*.SBendtrans-56.8130.4174.9175.4179.4171.7-164.8-2110.2S34S34-R93 WeakPolarHBondContact O-CD 3.38Å; S34-R93 WeakPolarHBondContact O-CG 3.23Å
94G94.1Very high87.9Confident28 Ų2873.7 Ų73.729%0.28937%0.371SS..EExtended strand (participates in β ladder)trans140.2-165.9176.200000114.1E32 V33 S92E32-G94 WeakPolarHBondContact CA-O 3.33Å; V33-G94 PolarHBondContact N-O 2.83Å; V33-G94 PolarHBondContact O-N 2.86Å; S92-G94 PolarHBondContact O-N 3.39Å
95K96.1Very high89.4Confident142 Ų14268 Ų6862%0.61735%0.354SS*.EExtended strand (participates in β ladder)trans-100.7125.8177.2-176.8-175.6179.9-174.80109.3I30I30-K95 HydrophobicContact CG2-CD 4.31Å; I30-K95 VanDerWaalsContact CG2-CE 3.48Å; I30-K95 HydrophobicContact CG2-CG 3.94Å
96H95.4Very high90.9Very high43 Ų4363.2 Ų63.220%0.19934%0.335CS..EExtended strand (participates in β ladder)trans-119136.6-178.6-61.3-89.1000109.7I30 L31 I91 S92 F98I30-H96 WeakPolarHBondContact CA-O 3.21Å; L31-H96 HydrophobicContact CB-CB 4.49Å; L31-H96 PolarHBondContact N-O 2.75Å; L31-H96 PolarHBondContact O-N 2.85Å; I91-H96 WeakPolarHBondContact CG2-CD2 3.31Å; I91-H96 WeakPolarHBondContact CG2-NE2 3.25Å; S92-H96 PolarHBondContact O-NE2 2.77Å; S92-H96 PolarHBondContact OG-CE1 2.88Å; H96-F98 HydrophobicContact CB-CE2 3.66Å; H96-F98 HydrophobicContact CB-CZ 4Å
97V96.5Very high92Very high79 Ų7965.2 Ų65.248%0.47934%0.337SS..EExtended strand (participates in β ladder)trans-122.4122.9-176.5-174.80000109R28 I30R28-V97 HydrophobicContact CB-CG1 3.84Å; R28-V97 HydrophobicContact CG-CG1 4.48Å; I30-V97 HydrophobicContact CG1-CG1 4.45Å; I30-V97 HydrophobicContact CG1-CG2 4.4Å
98F96.5Very high92.9Very high38 Ų3870.6 Ų70.617%0.16736%0.355CS..EExtended strand (participates in β ladder)trans-114.299.7179.1-57.5-89.6000108.5R28 I29 L31 L42 M79 I80 I91 H96R28-F98 WeakPolarHBondContact CA-O 3.38Å; I29-F98 HydrophobicContact CB-CB 4.27Å; I29-F98 PolarHBondContact N-O 3.16Å; I29-F98 PolarHBondContact O-N 3.37Å; L31-F98 HydrophobicContact CB-CE2 4.17Å; L31-F98 HydrophobicContact CD2-CE2 4.42Å; L42-F98 HydrophobicContact CD2-CB 4.34Å; L42-F98 HydrophobicContact CD2-CD1 4.13Å; L42-F98 HydrophobicContact CD2-CD2 3.44Å; L42-F98 VanDerWaalsContact CD2-CD2 3.44Å; L42-F98 HydrophobicContact CD2-CE1 4.34Å; L42-F98 HydrophobicContact CD2-CE2 3.69Å; L42-F98 HydrophobicContact CD2-CG 3.69Å; L42-F98 HydrophobicContact CD2-CZ 4.15Å; M79-F98 HydrophobicContact CB-CB 4.34Å; M79-F98 HydrophobicContact CB-CD1 4.25Å; M79-F98 HydrophobicContact CB-CG 4.46Å; M79-F98 HydrophobicContact CG-CB 4.36Å; M79-F98 HydrophobicContact SD-CB 4.46Å; I80-F98 HydrophobicContact CD1-CE1 3.69Å; I80-F98 HydrophobicContact CD1-CZ 3.65Å; I80-F98 HydrophobicContact CG1-CD1 4.44Å; I80-F98 HydrophobicContact CG1-CE1 3.77Å; I80-F98 HydrophobicContact CG1-CZ 4.27Å; I91-F98 HydrophobicContact CD1-CZ 4.49Å; H96-F98 HydrophobicContact CB-CE2 3.66Å; H96-F98 HydrophobicContact CB-CZ 4Å
99P96.9Very high93.7Very high99 Ų9970.3 Ų70.364%0.64335%0.353SS*.EExtended strand (participates in β ladder)trans-67.1151.9178.428.7-33.9000110.9G27G27-P99 CarbonylContact O-C 3.59Å; G27-P99 WeakPolarHBondContact O-CA 3.24Å
100F96Very high94.2Very high10 Ų1067.1 Ų67.14%0.04434%0.338CS..EExtended strand (participates in β ladder)trans-142.8151.8174.970-100.3000111.6I8 I25 G27 I29 F44 M79 L124I8-F100 HydrophobicContact CD1-CE1 3.86Å; I8-F100 HydrophobicContact CD1-CZ 4.11Å; I8-F100 HydrophobicContact CG1-CE1 3.75Å; I8-F100 HydrophobicContact CG1-CZ 4.13Å; I25-F100 HydrophobicContact CG2-CE2 4.12Å; G27-F100 VanDerWaalsContact C-CD1 3.46Å; G27-F100 PolarHBondContact N-O 2.84Å; G27-F100 PolarHBondContact O-N 2.94Å; I29-F100 HydrophobicContact CG1-CD1 4.13Å; I29-F100 HydrophobicContact CG1-CE1 4.33Å; F44-F100 HydrophobicContact CD2-CB 4.41Å; F44-F100 HydrophobicContact CD2-CD1 4.05Å; F44-F100 HydrophobicContact CD2-CD2 4.17Å; F44-F100 HydrophobicContact CD2-CE1 4.36Å; F44-F100 HydrophobicContact CD2-CE2 4.49Å; F44-F100 AromaticContact CD2-CG 3.95Å; F44-F100 HydrophobicContact CD2-CG 3.95Å; F44-F100 HydrophobicContact CE1-CD2 4.42Å; F44-F100 HydrophobicContact CE2-CB 4.49Å; F44-F100 HydrophobicContact CE2-CD1 4.03Å; F44-F100 AromaticContact CE2-CD2 3.47Å; F44-F100 HydrophobicContact CE2-CD2 3.47Å; F44-F100 VanDerWaalsContact CE2-CD2 3.47Å; F44-F100 HydrophobicContact CE2-CE1 4.08Å; F44-F100 AromaticContact CE2-CE2 3.56Å; F44-F100 HydrophobicContact CE2-CE2 3.56Å; F44-F100 AromaticContact CE2-CG 3.74Å; F44-F100 HydrophobicContact CE2-CG 3.74Å; F44-F100 AromaticContact CE2-CZ 3.87Å; F44-F100 HydrophobicContact CE2-CZ 3.87Å; F44-F100 AromaticContact CZ-CD2 3.61Å; F44-F100 HydrophobicContact CZ-CD2 3.61Å; F44-F100 AromaticContact CZ-CE2 3.88Å; F44-F100 HydrophobicContact CZ-CE2 3.88Å; F44-F100 HydrophobicContact CZ-CG 4.18Å; M79-F100 HydrophobicContact CE-CB 3.32Å; M79-F100 HydrophobicContact CE-CG 4.39Å; F100-L124 HydrophobicContact CE2-CD1 4.07Å; F100-L124 HydrophobicContact CZ-CD1 3.93Å
101T96.6Very high94.6Very high100 Ų10065.5 Ų65.561%0.61333%0.328SS*.EExtended strand (participates in β ladder)trans-128130170.7-60.80000108.4T24 I25 N26T24-T101 HydrophobicContact CG2-CG2 3.34Å; I25-T101 WeakPolarHBondContact O-CA 3.48Å; N26-T101 WeakPolarHBondContact OD1-CG2 3.35Å; N26-T101 PolarHBondContact OD1-OG1 3.4Å
102F96.2Very high94.9Very high8 Ų866.1 Ų66.14%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-133.3114.6178.4168.4-114.5000110.4I25 F44 A46 Y73 V75 I104 L124 F142I25-F102 HydrophobicContact CB-CD1 4.48Å; I25-F102 HydrophobicContact CD1-CD1 4.14Å; I25-F102 HydrophobicContact CG1-CD1 4.49Å; I25-F102 PolarHBondContact N-O 3.31Å; I25-F102 PolarHBondContact O-N 3.46Å; F44-F102 HydrophobicContact CE1-CB 3.99Å; F44-F102 HydrophobicContact CE1-CG 4.41Å; F44-F102 HydrophobicContact CZ-CB 3.81Å; F44-F102 HydrophobicContact CZ-CG 4.3Å; A46-F102 HydrophobicContact CB-CD1 3.74Å; A46-F102 HydrophobicContact CB-CD2 3.82Å; A46-F102 HydrophobicContact CB-CE1 3.62Å; A46-F102 HydrophobicContact CB-CE2 3.72Å; A46-F102 HydrophobicContact CB-CG 3.84Å; A46-F102 HydrophobicContact CB-CZ 3.61Å; Y73-F102 AromaticContact CD2-CZ 3.83Å; Y73-F102 HydrophobicContact CD2-CZ 3.83Å; Y73-F102 AromaticContact CE2-CE1 3.95Å; Y73-F102 HydrophobicContact CE2-CE1 3.95Å; Y73-F102 AromaticContact CE2-CZ 3.52Å; Y73-F102 HydrophobicContact CE2-CZ 3.52Å; V75-F102 HydrophobicContact CB-CD2 4.37Å; V75-F102 HydrophobicContact CB-CE2 4Å; V75-F102 HydrophobicContact CG2-CE2 3.78Å; F102-I104 HydrophobicContact CD1-CG1 4.41Å; F102-I104 HydrophobicContact CE1-CG1 3.88Å; F102-L124 HydrophobicContact CD1-CD2 4.09Å; F102-F142 HydrophobicContact CE1-CZ 4.45Å
103K96.3Very high95.1Very high142 Ų14263.7 Ų63.762%0.61732%0.315SS*.EExtended strand (participates in β ladder)trans-83.3122171.4-168.6172.2-177176.50110.1G22G22-K103 WeakPolarHBondContact O-CE 3.2Å
104I96.6Very high95.1Very high1 Ų161.1 Ų61.11%0.00531%0.311CS..PPolyproline II helixtrans-65.9132.9175-61.3177.5000108.2F19 G22 D23 I25 F102 D106 M109 F142 F144F19-I104 HydrophobicContact CB-CD1 3.55Å; F19-I104 HydrophobicContact CD1-CD1 4.48Å; F19-I104 HydrophobicContact CG-CD1 4.2Å; G22-I104 WeakPolarHBondContact CA-O 3.46Å; G22-I104 PolarHBondContact N-O 3Å; D23-I104 HydrophobicContact CB-CD1 4.27Å; D23-I104 PolarHBondContact O-N 2.82Å; I25-I104 HydrophobicContact CD1-CD1 4.05Å; I25-I104 HydrophobicContact CD1-CG1 4.24Å; I25-I104 HydrophobicContact CG1-CD1 4.26Å; I25-I104 HydrophobicContact CG1-CG1 4.36Å; F102-I104 HydrophobicContact CD1-CG1 4.41Å; F102-I104 HydrophobicContact CE1-CG1 3.88Å; I104-D106 PolarHBondContact O-N 2.94Å; I104-M109 HydrophobicContact CG2-CE 3.79Å; I104-F142 HydrophobicContact CD1-CE2 3.79Å; I104-F142 HydrophobicContact CD1-CZ 4.24Å; I104-F144 HydrophobicContact CD1-CD2 4.29Å; I104-F144 HydrophobicContact CG2-CD2 4.33Å; I104-F144 HydrophobicContact CG2-CE2 3.88Å
105P95.6Very high95.1Very high32 Ų3260.5 Ų60.521%0.20830%0.302CS..PPolyproline II helixtrans-54.5127.2178.1-27.234.9000112.1Y73 R107 M109Y73-P105 HydrophobicContact CD1-CG 4.04Å; Y73-P105 HydrophobicContact CG-CG 4Å; P105-R107 VanDerWaalsContact C-N 3.31Å; P105-R107 HydrophobicContact CB-CG 4.16Å; P105-R107 PolarHBondContact O-N 3.05Å; P105-M109 HydrophobicContact CB-CE 4.32Å; P105-M109 HydrophobicContact CB-SD 4.34Å; P105-M109 VanDerWaalsContact O-CE 3.23Å; P105-M109 WeakPolarHBondContact O-CE 3.29Å
106D93.1Very high95Very high115 Ų11559 Ų5962%0.61531%0.31SS*.  trans-85.175.2177.6-164.721000110.4N21 I104 K147N21-D106 WeakPolarHBondContact CB-OD1 3.39Å; I104-D106 PolarHBondContact O-N 2.94Å; D106-K147 IonicContact OD1-NZ 3.28Å
107R90.4Very high95Very high125 Ų12557.6 Ų57.647%0.47230%0.304SS..SBendtrans-152166.3178.266.7-178.3179.7172.7-0.5110.9N21 Y72 P105 M109N21-R107 PolarHBondContact ND2-O 3.36Å; Y72-R107 PolarHBondContact O-NH2 2.87Å; P105-R107 VanDerWaalsContact C-N 3.31Å; P105-R107 HydrophobicContact CB-CG 4.16Å; P105-R107 PolarHBondContact O-N 3.05Å; R107-M109 HydrophobicContact CG-CG 4.08Å; R107-M109 HydrophobicContact CG-SD 4.31Å; R107-M109 PolarHBondContact O-N 3.24Å; R107-M109 VanDerWaalsContact O-N 3.13Å
108K88.9Confident95Very high133 Ų13354 Ų5458%0.57828%0.282SS*.  trans-58.7116178.1-62.8-165.9178.7-1600110.9D149K108-D149 IonicContact NZ-OD1 2.81Å; K108-D149 PolarHBondContact NZ-OD1 2.95Å; K108-D149 IonicContact NZ-OD2 3.73Å; K108-D149 PolarHBondContact NZ-OD2 2.87Å
109M93.2Very high95.1Very high0 Ų057.5 Ų57.50%030%0.295CS..  trans-146.5144177-63.1-178.5-56.600108.2Y72 Y73 I104 P105 R107 F144 S146 N263Y72-M109 HydrophobicContact CD1-CG 4.3Å; Y72-M109 HydrophobicContact CG-CB 4.45Å; Y72-M109 HydrophobicContact CG-CG 4.23Å; Y73-M109 HydrophobicContact CD1-CE 4.44Å; Y73-M109 HydrophobicContact CD1-SD 3.68Å; Y73-M109 HydrophobicContact CE1-CE 4.36Å; Y73-M109 HydrophobicContact CE1-SD 4.05Å; I104-M109 HydrophobicContact CG2-CE 3.79Å; P105-M109 HydrophobicContact CB-CE 4.32Å; P105-M109 HydrophobicContact CB-SD 4.34Å; P105-M109 VanDerWaalsContact O-CE 3.23Å; P105-M109 WeakPolarHBondContact O-CE 3.29Å; R107-M109 HydrophobicContact CG-CG 4.08Å; R107-M109 HydrophobicContact CG-SD 4.31Å; R107-M109 PolarHBondContact O-N 3.24Å; R107-M109 VanDerWaalsContact O-N 3.13Å; M109-F144 HydrophobicContact CB-CE1 4.09Å; M109-F144 HydrophobicContact CB-CZ 4.31Å; M109-F144 HydrophobicContact CE-CE1 4.45Å; M109-F144 HydrophobicContact CE-CE2 4.18Å; M109-F144 HydrophobicContact CE-CZ 3.81Å; M109-S146 WeakPolarHBondContact O-CB 3.21Å; M109-S146 PolarHBondContact O-OG 2.9Å; M109-N263 PolarHBondContact O-ND2 2.85Å
110P95.2Very high95.1Very high0 Ų052.9 Ų52.90%027%0.265CS..PPolyproline II helixtrans-74.9153.8-176.934.2-40000112.4Y72 I120 F144 I261 N263 C264Y72-P110 HydrophobicContact CD2-CG 4.34Å; Y72-P110 VanDerWaalsContact CE1-CD 3.48Å; Y72-P110 HydrophobicContact CE1-CG 4.07Å; Y72-P110 HydrophobicContact CE2-CG 3.45Å; Y72-P110 VanDerWaalsContact CE2-CG 3.45Å; Y72-P110 VanDerWaalsContact OH-CG 3.3Å; Y72-P110 WeakPolarHBondContact OH-CG 3.03Å; P110-I120 HydrophobicContact CB-CD1 3.8Å; P110-I120 HydrophobicContact CG-CD1 3.89Å; P110-I120 HydrophobicContact CG-CG1 4.26Å; P110-I120 HydrophobicContact CG-CG2 3.91Å; P110-F144 VanDerWaalsContact O-CD1 3.29Å; P110-F144 WeakPolarHBondContact O-CD1 3.29Å; P110-F144 WeakPolarHBondContact O-CE1 3.31Å; P110-I261 HydrophobicContact CB-CG2 3.73Å; P110-N263 VanDerWaalsContact CA-OD1 3.23Å; P110-N263 WeakPolarHBondContact CA-OD1 3.47Å; P110-N263 VanDerWaalsContact CB-OD1 3.29Å; P110-N263 WeakPolarHBondContact CB-OD1 3.42Å; P110-C264 HydrophobicContact CB-CB 4.03Å; P110-C264 HydrophobicContact CG-CB 3.99Å
111S95.7Very high95.2Very high9 Ų953.8 Ų53.86%0.06327%0.271CS..PPolyproline II helixtrans-62.9151.4172.1-57.60000111.6F113 I120 F144 S146S111-F113 PolarHBondContact O-N 3.18Å; S111-I120 WeakPolarHBondContact O-CG2 3.13Å; S111-F144 CarbonylContact C-O 3.57Å; S111-F144 WeakPolarHBondContact CA-O 3.3Å; S111-S146 WeakPolarHBondContact OG-CB 3.29Å; S111-S146 PolarHBondContact OG-N 2.64Å
112S96.6Very high95.2Very high22 Ų2249.1 Ų49.115%0.15424%0.242CC..PPolyproline II helixtrans-53.4135.7170.8-79.10000110.7I120 H122 M143 F144S112-I120 WeakPolarHBondContact CA-O 3.29Å; S112-H122 PolarHBondContact OG-CD2 3.45Å; S112-M143 VanDerWaalsContact CB-SD 3.52Å; S112-F144 PolarHBondContact N-O 2.88Å; S112-F144 PolarHBondContact OG-N 3.24Å
113F96.3Very high95.2Very high16 Ų1651.3 Ų51.37%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-149.6147.6-175.4-179.1-101.7000111.1S111 R119 I120 R215 T258 I261 L267 L269S111-F113 PolarHBondContact O-N 3.18Å; F113-R119 CarbonylContact O-C 3.56Å; F113-R119 WeakPolarHBondContact O-CA 3.33Å; F113-R119 WeakPolarHBondContact O-CB 3.5Å; F113-I120 HydrophobicContact CB-CB 4.21Å; F113-I120 HydrophobicContact CB-CD1 3.98Å; F113-I120 HydrophobicContact CB-CG1 4.42Å; F113-I120 PolarHBondContact N-O 2.88Å; F113-I120 VanDerWaalsContact N-O 3.12Å; F113-I120 PolarHBondContact O-N 3.32Å; F113-R215 HydrophobicContact CZ-CG 4.46Å; F113-T258 HydrophobicContact CD2-CG2 4.4Å; F113-I261 HydrophobicContact CB-CD1 3.51Å; F113-I261 HydrophobicContact CD2-CD1 3.77Å; F113-I261 HydrophobicContact CG-CD1 3.69Å; F113-L267 HydrophobicContact CD1-CD1 3.64Å; F113-L267 HydrophobicContact CD1-CD2 3.94Å; F113-L267 HydrophobicContact CD1-CG 4.43Å; F113-L267 HydrophobicContact CE1-CD1 3.93Å; F113-L267 HydrophobicContact CE1-CD2 4.17Å; F113-L269 HydrophobicContact CD2-CD2 4.22Å; F113-L269 HydrophobicContact CE2-CD2 3.85Å
114H94.6Very high95.3Very high142 Ų14244.6 Ų44.666%0.65722%0.222SC*.EExtended strand (participates in β ladder)trans-138.7132.9178.3-163.871.7000112.2
115S94.6Very high95.4Very high15 Ų1546.3 Ų46.311%0.10523%0.23CC..  trans-152.5172171.3690000109.5V117 G118 F217S115-V117 VanDerWaalsContact C-N 3.26Å; S115-V117 PolarHBondContact O-N 2.88Å; S115-G118 PolarHBondContact N-O 2.93Å; S115-G118 PolarHBondContact OG-N 2.92Å; S115-G118 PolarHBondContact OG-O 3.36Å; S115-F217 WeakPolarHBondContact OG-CE1 3.42Å; S115-F217 WeakPolarHBondContact OG-CZ 3.35Å
116S93.8Very high95.5Very high111 Ų11144.8 Ų44.878%0.77622%0.22SC*.SBendtrans-63.6-29.7177.152.80000113.6
117V96.1Very high95.6Very high13 Ų1340.2 Ų40.28%0.07920%0.195CC..SBendtrans-98.9-32.6-176.7175.90000112.4V52 C53 W54 S115 F217 K224V52-V117 CarbonylContact C-O 3.58Å; V52-V117 VanDerWaalsContact CA-O 3.3Å; V52-V117 WeakPolarHBondContact CA-O 3.4Å; C53-V117 PolarHBondContact N-O 2.93Å; C53-V117 VanDerWaalsContact O-O 3.12Å; W54-V117 HydrophobicContact CB-CG1 4.02Å; W54-V117 HydrophobicContact CB-CG2 4.42Å; W54-V117 HydrophobicContact CD2-CG1 4.33Å; W54-V117 HydrophobicContact CE3-CG1 3.82Å; W54-V117 HydrophobicContact CG-CG1 4.46Å; S115-V117 VanDerWaalsContact C-N 3.26Å; S115-V117 PolarHBondContact O-N 2.88Å; V117-F217 HydrophobicContact CB-CD1 4.23Å; V117-F217 HydrophobicContact CB-CD2 3.9Å; V117-F217 HydrophobicContact CB-CE1 4.09Å; V117-F217 HydrophobicContact CB-CE2 3.76Å; V117-F217 HydrophobicContact CB-CG 4.12Å; V117-F217 HydrophobicContact CB-CZ 3.85Å; V117-F217 HydrophobicContact CG1-CB 3.88Å; V117-F217 HydrophobicContact CG1-CD1 3.84Å; V117-F217 HydrophobicContact CG1-CD2 3.53Å; V117-F217 HydrophobicContact CG1-CE1 4.22Å; V117-F217 HydrophobicContact CG1-CE2 3.96Å; V117-F217 HydrophobicContact CG1-CG 3.46Å; V117-F217 VanDerWaalsContact CG1-CG 3.46Å; V117-F217 HydrophobicContact CG1-CZ 4.27Å; V117-F217 HydrophobicContact CG2-CE2 4.31Å; V117-K224 HydrophobicContact CG2-CD 4.4Å
118G96.4Very high95.8Very high3 Ų334.3 Ų34.33%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-146.6149.4-171.900000113.8R51 S115R51-G118 CarbonylContact O-C 3.51Å; R51-G118 VanDerWaalsContact O-CA 3.31Å; R51-G118 WeakPolarHBondContact O-CA 3.47Å; S115-G118 PolarHBondContact N-O 2.93Å; S115-G118 PolarHBondContact OG-N 2.92Å; S115-G118 PolarHBondContact OG-O 3.36Å
119R97.6Very high95.9Very high112 Ų11232.3 Ų32.342%0.42316%0.164SC..EExtended strand (participates in β ladder)trans-146.3146.9177.563.1-177.3175.3-176.8-12.5112.1A50 R51 F113 V121A50-R119 CarbonylContact C-O 3.58Å; A50-R119 WeakPolarHBondContact CA-O 3.2Å; R51-R119 PolarHBondContact N-O 2.81Å; R51-R119 PolarHBondContact O-N 3.27Å; F113-R119 CarbonylContact O-C 3.56Å; F113-R119 WeakPolarHBondContact O-CA 3.33Å; F113-R119 WeakPolarHBondContact O-CB 3.5Å; R119-V121 HydrophobicContact CB-CG2 4.02Å; R119-V121 HydrophobicContact CG-CG2 3.89Å
120I98.1Very high95.6Very high2 Ų232.8 Ų32.81%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-115.8119.2169.8-65.5154.9000106.4A50 Y72 P110 S111 S112 F113 I261 C264 L267A50-I120 HydrophobicContact CB-CG1 3.74Å; Y72-I120 HydrophobicContact CE2-CG2 4.41Å; P110-I120 HydrophobicContact CB-CD1 3.8Å; P110-I120 HydrophobicContact CG-CD1 3.89Å; P110-I120 HydrophobicContact CG-CG1 4.26Å; P110-I120 HydrophobicContact CG-CG2 3.91Å; S111-I120 WeakPolarHBondContact O-CG2 3.13Å; S112-I120 WeakPolarHBondContact CA-O 3.29Å; F113-I120 HydrophobicContact CB-CB 4.21Å; F113-I120 HydrophobicContact CB-CD1 3.98Å; F113-I120 HydrophobicContact CB-CG1 4.42Å; F113-I120 PolarHBondContact N-O 2.88Å; F113-I120 VanDerWaalsContact N-O 3.12Å; F113-I120 PolarHBondContact O-N 3.32Å; I120-I261 HydrophobicContact CD1-CD1 3.99Å; I120-I261 HydrophobicContact CD1-CG2 3.99Å; I120-C264 HydrophobicContact CD1-CB 4.5Å; I120-L267 HydrophobicContact CD1-CD2 4.12Å
121V97.2Very high94.8Very high29 Ų2934.7 Ų34.718%0.17618%0.179CC..EExtended strand (participates in β ladder)trans-134.2128.2-168.2179.70000111G48 K49 R119 H141G48-V121 WeakPolarHBondContact CA-O 3.35Å; K49-V121 PolarHBondContact N-O 2.82Å; K49-V121 PolarHBondContact O-N 2.83Å; R119-V121 HydrophobicContact CB-CG2 4.02Å; R119-V121 HydrophobicContact CG-CG2 3.89Å; V121-H141 WeakPolarHBondContact CG1-CD2 3.21Å
122H97.3Very high94Very high1 Ų141.1 Ų41.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-107.7128.6171.7-63.1-105.5000109.2K47 Y73 S112 H141 F142 F144K47-H122 CarbonylContact O-C 3.53Å; K47-H122 WeakPolarHBondContact O-CA 3.29Å; Y73-H122 AromaticContact CE1-CE1 3.75Å; Y73-H122 AromaticContact CE1-ND1 3.41Å; Y73-H122 WeakPolarHBondContact CE1-ND1 3.46Å; Y73-H122 AromaticContact CZ-ND1 3.51Å; Y73-H122 PolarHBondContact OH-ND1 2.79Å; S112-H122 PolarHBondContact OG-CD2 3.45Å; H122-H141 WeakPolarHBondContact O-CA 3.04Å; H122-F142 HydrophobicContact CB-CD1 4.2Å; H122-F142 HydrophobicContact CB-CD2 3.98Å; H122-F142 HydrophobicContact CB-CE1 3.84Å; H122-F142 HydrophobicContact CB-CE2 3.6Å; H122-F142 HydrophobicContact CB-CG 4.3Å; H122-F142 HydrophobicContact CB-CZ 3.56Å; H122-F142 PolarHBondContact O-N 3.43Å; H122-F144 HydrophobicContact CB-CB 4.36Å; H122-F144 AromaticContact CE1-CD1 3.56Å; H122-F144 AromaticContact CE1-CG 3.73Å; H122-F144 AromaticContact NE2-CD1 3.46Å; H122-F144 WeakPolarHBondContact NE2-CD1 3.23Å; H122-F144 AromaticContact NE2-CG 3.84Å
123K96.6Very high93.1Very high55 Ų5545.1 Ų45.124%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-145.1148-175.166.3-173.6176.7-169.70113.5A46 K47 I140A46-K123 CarbonylContact C-O 3.55Å; A46-K123 WeakPolarHBondContact CA-O 3.41Å; K47-K123 HydrophobicContact CB-CG 4.06Å; K47-K123 PolarHBondContact N-O 3.31Å; K47-K123 PolarHBondContact O-N 2.58Å; K123-I140 CarbonylContact C-O 3.52Å; K123-I140 WeakPolarHBondContact CA-O 3.36Å; K123-I140 WeakPolarHBondContact CB-O 3.47Å
124L97.9Very high92.5Very high0 Ų052 Ų520%027%0.269CS..EExtended strand (participates in β ladder)trans-106.6143.7168.5-49.8167.5000108I8 Y10 I25 F44 I45 A46 F100 F102 K139 I140 F142I8-L124 HydrophobicContact CD1-CB 3.6Å; Y10-L124 HydrophobicContact CD1-CD1 3.7Å; Y10-L124 HydrophobicContact CE1-CD1 4.44Å; Y10-L124 HydrophobicContact CG-CD1 4.11Å; I25-L124 HydrophobicContact CD1-CD2 4.49Å; I25-L124 HydrophobicContact CG2-CD1 3.89Å; F44-L124 HydrophobicContact CE2-CB 4.19Å; F44-L124 HydrophobicContact CE2-CD2 3.97Å; F44-L124 HydrophobicContact CZ-CD2 3.8Å; I45-L124 CarbonylContact O-C 3.58Å; I45-L124 WeakPolarHBondContact O-CA 3.41Å; A46-L124 HydrophobicContact CB-CD2 3.84Å; F100-L124 HydrophobicContact CE2-CD1 4.07Å; F100-L124 HydrophobicContact CZ-CD1 3.93Å; F102-L124 HydrophobicContact CD1-CD2 4.09Å; L124-K139 VanDerWaalsContact O-CA 3.31Å; L124-K139 WeakPolarHBondContact O-CA 3.48Å; L124-I140 HydrophobicContact CB-CG2 3.9Å; L124-I140 HydrophobicContact CD1-CG2 4.21Å; L124-I140 HydrophobicContact CG-CG2 4.43Å; L124-I140 PolarHBondContact N-O 3.41Å; L124-I140 PolarHBondContact O-N 2.83Å; L124-F142 HydrophobicContact CD1-CD1 4.36Å; L124-F142 HydrophobicContact CD2-CD1 4.35Å; L124-F142 HydrophobicContact CD2-CE1 3.89Å; L124-F142 HydrophobicContact CG-CD1 3.96Å; L124-F142 HydrophobicContact CG-CE1 3.99Å
125K97.8Very high92.2Very high38 Ų3849.8 Ų49.817%0.16526%0.258CS..EExtended strand (participates in β ladder)trans-144134.7-174.7-175.6-177-176.3-171.80110.4F44 I45 E127 A138 K139F44-K125 CarbonylContact C-O 3.52Å; F44-K125 WeakPolarHBondContact CA-O 3.21Å; I45-K125 HydrophobicContact CB-CB 4.24Å; I45-K125 HydrophobicContact CD1-CD 4.47Å; I45-K125 PolarHBondContact N-O 3.07Å; I45-K125 PolarHBondContact O-N 3.28Å; K125-E127 HydrophobicContact CD-CG 4.02Å; K125-E127 WeakPolarHBondContact CE-OE1 3.34Å; K125-E127 HydrophobicContact CG-CG 4.09Å; K125-E127 IonicContact NZ-OE1 2.85Å; K125-E127 PolarHBondContact NZ-OE1 2.81Å; K125-A138 CarbonylContact C-O 3.56Å; K125-A138 VanDerWaalsContact CA-O 3.24Å; K125-A138 WeakPolarHBondContact CA-O 3.17Å; K125-A138 VanDerWaalsContact CG-O 3.25Å; K125-A138 WeakPolarHBondContact CG-O 3.41Å; K125-K139 HydrophobicContact CG-CB 4.5Å
126A97.6Very high92.2Very high0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-104.5134167.100000109.1L6 I29 L43 K137 A138L6-A126 HydrophobicContact CD1-CB 4.32Å; I29-A126 HydrophobicContact CB-CB 4.49Å; I29-A126 HydrophobicContact CD1-CB 3.75Å; I29-A126 HydrophobicContact CG1-CB 3.95Å; I29-A126 HydrophobicContact CG2-CB 3.73Å; L43-A126 CarbonylContact O-C 3.51Å; L43-A126 WeakPolarHBondContact O-CA 3.39Å; A126-K137 CarbonylContact O-C 3.57Å; A126-K137 VanDerWaalsContact O-CA 3.29Å; A126-K137 WeakPolarHBondContact O-CA 3.04Å; A126-A138 HydrophobicContact CB-CB 4.36Å; A126-A138 PolarHBondContact N-O 3.08Å; A126-A138 PolarHBondContact O-N 2.9Å
127E95.9Very high92.2Very high19 Ų1953 Ų539%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-125.9114.4176.1-65.6-159.1134.900110.1L42 L43 I45 K125 K135 K137L42-E127 WeakPolarHBondContact CA-O 3.49Å; L43-E127 HydrophobicContact CB-CB 4.33Å; L43-E127 PolarHBondContact N-O 2.93Å; L43-E127 PolarHBondContact O-N 2.61Å; I45-E127 HydrophobicContact CD1-CG 3.86Å; I45-E127 WeakPolarHBondContact CD1-OE2 3.41Å; K125-E127 HydrophobicContact CD-CG 4.02Å; K125-E127 WeakPolarHBondContact CE-OE1 3.34Å; K125-E127 HydrophobicContact CG-CG 4.09Å; K125-E127 IonicContact NZ-OE1 2.85Å; K125-E127 PolarHBondContact NZ-OE1 2.81Å; E127-K135 VanDerWaalsContact CB-CE 3.49Å; E127-K135 VanDerWaalsContact CD-NZ 3.25Å; E127-K135 IonicContact OE1-NZ 3.31Å; E127-K135 WeakPolarHBondContact OE2-CE 3.41Å; E127-K135 IonicContact OE2-NZ 3.66Å; E127-K135 PolarHBondContact OE2-NZ 3.44Å; E127-K137 HydrophobicContact CG-CG 4.18Å; E127-K137 VanDerWaalsContact OE1-CE 3.29Å; E127-K137 WeakPolarHBondContact OE1-CE 3.1Å
128L94.6Very high92.3Very high0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-102.9117.6177.6-178.271.7000109.7V3 L6 L31 V39 L42 Q130 K135 K136V3-L128 HydrophobicContact CG1-CD2 4.42Å; V3-L128 HydrophobicContact CG2-CD2 3.84Å; L6-L128 HydrophobicContact CD2-CB 4.02Å; L31-L128 HydrophobicContact CD1-CD2 3.78Å; L31-L128 HydrophobicContact CD2-CD1 4.15Å; L31-L128 HydrophobicContact CD2-CD2 4.16Å; V39-L128 HydrophobicContact CB-CD1 4.14Å; V39-L128 HydrophobicContact CG1-CD1 3.9Å; L42-L128 HydrophobicContact CB-CD1 4.2Å; L42-L128 HydrophobicContact CD1-CB 4.12Å; L42-L128 HydrophobicContact CD1-CD1 4.06Å; L128-Q130 HydrophobicContact CD2-CG 4.31Å; L128-Q130 HydrophobicContact CG-CG 4.39Å; L128-K135 WeakPolarHBondContact O-CA 3.16Å; L128-K136 HydrophobicContact CB-CB 4.41Å; L128-K136 PolarHBondContact N-O 3.09Å; L128-K136 PolarHBondContact O-N 2.95Å
129K91.2Very high92.3Very high92 Ų9260 Ų6040%0.429%0.286SS..EExtended strand (participates in β ladder)trans-97.9121.1172.7-163.8-174.5-178.5-146.40108.7Q40 S41Q40-K129 HydrophobicContact CB-CB 4.29Å; Q40-K129 HydrophobicContact CB-CD 4.14Å; Q40-K129 HydrophobicContact CB-CG 4.26Å; Q40-K129 PolarHBondContact N-O 2.64Å; S41-K129 PolarHBondContact N-O 3.19Å; S41-K129 PolarHBondContact O-N 2.89Å; S41-K129 WeakPolarHBondContact OG-CB 3.29Å
130Q87.4Confident92.2Very high10 Ų1057.2 Ų57.25%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-103.4149.6177.4-69.217095.200108.9L128 V132 K133 L134L128-Q130 HydrophobicContact CD2-CG 4.31Å; L128-Q130 HydrophobicContact CG-CG 4.39Å; Q130-V132 VanDerWaalsContact C-N 3.35Å; Q130-V132 PolarHBondContact O-N 3.13Å; Q130-K133 HydrophobicContact CB-CB 3.82Å; Q130-K133 HydrophobicContact CG-CB 4.49Å; Q130-L134 PolarHBondContact NE2-O 3.33Å
131S78.1Confident92.1Very high39 Ų3961.8 Ų61.827%0.27330%0.3SS..SBendtrans-62.8-37.3-169.5-42.90000114.5T88T88-S131 WeakPolarHBondContact CG2-OG 3.39Å
132V77.4Confident92Very high145 Ų14560.7 Ų60.788%0.87929%0.293SS*.SBendtrans-117.9-8.8-177.1-170.10000111.8Q130Q130-V132 VanDerWaalsContact C-N 3.35Å; Q130-V132 PolarHBondContact O-N 3.13Å
133K78.8Confident91.9Very high105 Ų10565.2 Ų65.246%0.45732%0.316SS..SBendtrans-113.6156.5-169.7-61.1-175.2-176.7-168.50112.1T2 Q130T2-K133 PolarHBondContact OG1-NZ 2.75Å; Q130-K133 HydrophobicContact CB-CB 3.82Å; Q130-K133 HydrophobicContact CG-CB 4.49Å
134L83.4Confident91.8Very high160 Ų16062.6 Ų62.684%0.83830%0.304SS*.PPolyproline II helixtrans-54.1145.3173.8-70.6170.6000112.2Q130 K136Q130-L134 PolarHBondContact NE2-O 3.33Å; L134-K136 PolarHBondContact O-N 3.37Å
135K88.9Confident91.7Very high97 Ų9764 Ų6442%0.42231%0.313SS..PPolyproline II helixtrans-64121.5178.5-176173.2-177.8169.70110.9E127 L128 K137E127-K135 VanDerWaalsContact CB-CE 3.49Å; E127-K135 VanDerWaalsContact CD-NZ 3.25Å; E127-K135 IonicContact OE1-NZ 3.31Å; E127-K135 WeakPolarHBondContact OE2-CE 3.41Å; E127-K135 IonicContact OE2-NZ 3.66Å; E127-K135 PolarHBondContact OE2-NZ 3.44Å; L128-K135 WeakPolarHBondContact O-CA 3.16Å; K135-K137 HydrophobicContact CG-CG 4.48Å
136K93.1Very high91.4Very high65 Ų6562.8 Ų62.828%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-89.9146.2173.3-69.2-165.5172.3-1570110.6V3 L6 L128 L134V3-K136 HydrophobicContact CB-CD 3.87Å; V3-K136 HydrophobicContact CG1-CD 3.74Å; V3-K136 HydrophobicContact CG2-CD 4.42Å; V3-K136 PolarHBondContact O-NZ 3.22Å; L6-K136 HydrophobicContact CD2-CB 3.98Å; L128-K136 HydrophobicContact CB-CB 4.41Å; L128-K136 PolarHBondContact N-O 3.09Å; L128-K136 PolarHBondContact O-N 2.95Å; L134-K136 PolarHBondContact O-N 3.37Å
137K95.6Very high91.1Very high128 Ų12868.1 Ų68.156%0.55733%0.332SS*.EExtended strand (participates in β ladder)trans-137.4134.6-176.1-60.2173.9179163.90110A126 E127 K135A126-K137 CarbonylContact O-C 3.57Å; A126-K137 VanDerWaalsContact O-CA 3.29Å; A126-K137 WeakPolarHBondContact O-CA 3.04Å; E127-K137 HydrophobicContact CG-CG 4.18Å; E127-K137 VanDerWaalsContact OE1-CE 3.29Å; E127-K137 WeakPolarHBondContact OE1-CE 3.1Å; K135-K137 HydrophobicContact CG-CG 4.48Å
138A96.9Very high90.6Very high12 Ų1268.7 Ų68.710%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-119.2146.2165.200000109.1L6 I8 K125 A126L6-A138 HydrophobicContact CD2-CB 4.31Å; L6-A138 HydrophobicContact CG-CB 3.95Å; L6-A138 WeakPolarHBondContact O-CB 3.42Å; I8-A138 HydrophobicContact CG2-CB 4.22Å; K125-A138 CarbonylContact C-O 3.56Å; K125-A138 VanDerWaalsContact CA-O 3.24Å; K125-A138 WeakPolarHBondContact CA-O 3.17Å; K125-A138 VanDerWaalsContact CG-O 3.25Å; K125-A138 WeakPolarHBondContact CG-O 3.41Å; A126-A138 HydrophobicContact CB-CB 4.36Å; A126-A138 PolarHBondContact N-O 3.08Å; A126-A138 PolarHBondContact O-N 2.9Å
139K96.9Very high90.1Very high151 Ų15170.9 Ų70.966%0.65735%0.352SS*.EExtended strand (participates in β ladder)trans-143.3143.9-179.366.3-176.5-178.6-178.80109.9L124 K125L124-K139 VanDerWaalsContact O-CA 3.31Å; L124-K139 WeakPolarHBondContact O-CA 3.48Å; K125-K139 HydrophobicContact CG-CB 4.5Å
140I96.4Very high89.8Confident53 Ų5371.5 Ų71.527%0.27236%0.357SS..EExtended strand (participates in β ladder)trans-137.4147.5170.4-165.9168.2000109I8 Y10 K123 L124I8-I140 HydrophobicContact CG1-CG2 4.39Å; I8-I140 HydrophobicContact CG2-CB 4.02Å; I8-I140 HydrophobicContact CG2-CG2 3.72Å; Y10-I140 HydrophobicContact CD1-CD1 4.01Å; Y10-I140 HydrophobicContact CD1-CG2 3.87Å; Y10-I140 HydrophobicContact CE1-CD1 3.63Å; Y10-I140 HydrophobicContact CE1-CG1 3.9Å; Y10-I140 HydrophobicContact CE1-CG2 3.92Å; K123-I140 CarbonylContact C-O 3.52Å; K123-I140 WeakPolarHBondContact CA-O 3.36Å; K123-I140 WeakPolarHBondContact CB-O 3.47Å; L124-I140 HydrophobicContact CB-CG2 3.9Å; L124-I140 HydrophobicContact CD1-CG2 4.21Å; L124-I140 HydrophobicContact CG-CG2 4.43Å; L124-I140 PolarHBondContact N-O 3.41Å; L124-I140 PolarHBondContact O-N 2.83Å
141H95.9Very high89.7Confident98 Ų9877.4 Ų77.445%0.45439%0.389SS..EExtended strand (participates in β ladder)trans-100.7150.7175-58.4101.8000109.5Y10 V121 H122Y10-H141 PolarHBondContact OH-O 3.16Å; V121-H141 WeakPolarHBondContact CG1-CD2 3.21Å; H122-H141 WeakPolarHBondContact O-CA 3.04Å
142F95.1Very high90Very high7 Ų776.8 Ų76.83%0.03138%0.384CS..EExtended strand (participates in β ladder)trans-129.7151171.864.6-94.9000110Y10 F19 I25 Y73 F102 I104 H122 L124 F144Y10-F142 HydrophobicContact CE1-CB 4.08Å; Y10-F142 HydrophobicContact CE2-CB 4.29Å; Y10-F142 WeakPolarHBondContact OH-CA 3.2Å; Y10-F142 WeakPolarHBondContact OH-CB 3.44Å; F19-F142 HydrophobicContact CB-CD2 4.4Å; F19-F142 HydrophobicContact CD2-CB 4.19Å; F19-F142 AromaticContact CD2-CD2 3.87Å; F19-F142 HydrophobicContact CD2-CD2 3.87Å; F19-F142 HydrophobicContact CD2-CG 4.37Å; F19-F142 HydrophobicContact CE2-CB 4.25Å; F19-F142 HydrophobicContact CG-CD2 4.39Å; I25-F142 HydrophobicContact CD1-CD1 3.89Å; I25-F142 HydrophobicContact CD1-CD2 3.96Å; I25-F142 HydrophobicContact CD1-CE1 3.64Å; I25-F142 HydrophobicContact CD1-CE2 3.72Å; I25-F142 HydrophobicContact CD1-CG 4.01Å; I25-F142 HydrophobicContact CD1-CZ 3.51Å; Y73-F142 WeakPolarHBondContact OH-CZ 3.35Å; F102-F142 HydrophobicContact CE1-CZ 4.45Å; I104-F142 HydrophobicContact CD1-CE2 3.79Å; I104-F142 HydrophobicContact CD1-CZ 4.24Å; H122-F142 HydrophobicContact CB-CD1 4.2Å; H122-F142 HydrophobicContact CB-CD2 3.98Å; H122-F142 HydrophobicContact CB-CE1 3.84Å; H122-F142 HydrophobicContact CB-CE2 3.6Å; H122-F142 HydrophobicContact CB-CG 4.3Å; H122-F142 HydrophobicContact CB-CZ 3.56Å; H122-F142 PolarHBondContact O-N 3.43Å; L124-F142 HydrophobicContact CD1-CD1 4.36Å; L124-F142 HydrophobicContact CD2-CD1 4.35Å; L124-F142 HydrophobicContact CD2-CE1 3.89Å; L124-F142 HydrophobicContact CG-CD1 3.96Å; L124-F142 HydrophobicContact CG-CE1 3.99Å; F142-F144 HydrophobicContact CE2-CB 4.3Å
143M94.9Very high90.4Very high95 Ų9575.4 Ų75.447%0.46838%0.378SS..EExtended strand (participates in β ladder)trans-79.5128.5178.1-169.858.770.900109.1T18 F19 S112T18-M143 HydrophobicContact CG2-CB 4.44Å; T18-M143 HydrophobicContact CG2-CG 4.04Å; F19-M143 PolarHBondContact N-O 2.9Å; S112-M143 VanDerWaalsContact CB-SD 3.52Å
144F95Very high90.8Very high0 Ų072 Ų720%037%0.373CS..EExtended strand (participates in β ladder)trans-121.6124.8177175.2-99.7000108.5F19 I104 M109 P110 S111 S112 H122 F142F19-F144 CarbonylContact O-C 3.59Å; F19-F144 VanDerWaalsContact O-CA 3.27Å; F19-F144 WeakPolarHBondContact O-CA 3.36Å; F19-F144 WeakPolarHBondContact O-CD2 3.13Å; I104-F144 HydrophobicContact CD1-CD2 4.29Å; I104-F144 HydrophobicContact CG2-CD2 4.33Å; I104-F144 HydrophobicContact CG2-CE2 3.88Å; M109-F144 HydrophobicContact CB-CE1 4.09Å; M109-F144 HydrophobicContact CB-CZ 4.31Å; M109-F144 HydrophobicContact CE-CE1 4.45Å; M109-F144 HydrophobicContact CE-CE2 4.18Å; M109-F144 HydrophobicContact CE-CZ 3.81Å; P110-F144 VanDerWaalsContact O-CD1 3.29Å; P110-F144 WeakPolarHBondContact O-CD1 3.29Å; P110-F144 WeakPolarHBondContact O-CE1 3.31Å; S111-F144 CarbonylContact C-O 3.57Å; S111-F144 WeakPolarHBondContact CA-O 3.3Å; S112-F144 PolarHBondContact N-O 2.88Å; S112-F144 PolarHBondContact OG-N 3.24Å; H122-F144 HydrophobicContact CB-CB 4.36Å; H122-F144 AromaticContact CE1-CD1 3.56Å; H122-F144 AromaticContact CE1-CG 3.73Å; H122-F144 AromaticContact NE2-CD1 3.46Å; H122-F144 WeakPolarHBondContact NE2-CD1 3.23Å; H122-F144 AromaticContact NE2-CG 3.84Å; F142-F144 HydrophobicContact CE2-CB 4.3Å
145V93.9Very high91.1Very high30 Ų3064.7 Ų64.718%0.18233%0.334CS..  trans-118117.7174.3174.70000107.8T18 F19 T20 P295 I298T18-V145 HydrophobicContact CG2-CB 3.82Å; T18-V145 HydrophobicContact CG2-CG2 3.43Å; T18-V145 VanDerWaalsContact CG2-CG2 3.43Å; F19-V145 PolarHBondContact O-N 2.93Å; T20-V145 WeakPolarHBondContact CA-O 3.27Å; T20-V145 VanDerWaalsContact CB-O 3.29Å; T20-V145 WeakPolarHBondContact CB-O 3.11Å; T20-V145 PolarHBondContact OG1-O 3.41Å; V145-P295 HydrophobicContact CG1-CB 3.75Å; V145-I298 HydrophobicContact CB-CD1 4.02Å; V145-I298 HydrophobicContact CG1-CD1 4.13Å; V145-I298 HydrophobicContact CG2-CD1 4.47Å
146S92.8Very high91.2Very high12 Ų1265.8 Ų65.88%0.08434%0.344CS..PPolyproline II helixtrans-63.7143.5176.1-154.80000110.3M109 S111 P295M109-S146 WeakPolarHBondContact O-CB 3.21Å; M109-S146 PolarHBondContact O-OG 2.9Å; S111-S146 WeakPolarHBondContact OG-CB 3.29Å; S111-S146 PolarHBondContact OG-N 2.64Å; S146-P295 WeakPolarHBondContact O-CG 3.31Å
147K90.2Very high91.1Very high113 Ų11366.7 Ų66.749%0.49136%0.355SS..PPolyproline II helixtrans-59.6150.5169.1-64.3178.5-175.8164.30110.3T20 N21 D106 D149T20-K147 WeakPolarHBondContact OG1-CG 3.29Å; N21-K147 HydrophobicContact CB-CD 4.23Å; N21-K147 HydrophobicContact CB-CG 4.42Å; N21-K147 VanDerWaalsContact O-CE 3.29Å; N21-K147 WeakPolarHBondContact O-CE 3.41Å; N21-K147 PolarHBondContact O-NZ 2.93Å; N21-K147 PolarHBondContact OD1-N 3.45Å; D106-K147 IonicContact OD1-NZ 3.28Å; K147-D149 PolarHBondContact O-N 3.12Å
148A85.9Confident91.1Very high30 Ų3064.4 Ų64.425%0.24835%0.353CS..PPolyproline II helixtrans-59.6126.1175.700000110.4M150 L294 P295A148-M150 HydrophobicContact CB-SD 4.32Å; A148-M150 PolarHBondContact O-N 2.88Å; A148-L294 HydrophobicContact CB-CD2 4.45Å; A148-P295 HydrophobicContact CB-CG 3.89Å
149D84.6Confident91Very high46 Ų4664.9 Ų64.925%0.24635%0.353CS..  trans-86.684.8174.6-165-4.3000109.2K108 K147 D151 T152K108-D149 IonicContact NZ-OD1 2.81Å; K108-D149 PolarHBondContact NZ-OD1 2.95Å; K108-D149 IonicContact NZ-OD2 3.73Å; K108-D149 PolarHBondContact NZ-OD2 2.87Å; K147-D149 PolarHBondContact O-N 3.12Å; D149-D151 PolarHBondContact O-N 3.49Å; D149-D151 PolarHBondContact OD1-N 3.19Å; D149-T152 WeakPolarHBondContact O-CB 3.24Å; D149-T152 PolarHBondContact O-N 3.06Å; D149-T152 VanDerWaalsContact O-N 3.16Å; D149-T152 PolarHBondContact O-OG1 3.25Å
150M85.1Confident91Very high105 Ų10563.6 Ų63.652%0.51735%0.35SS..THydrogen-bonded Turntrans-66.9-16.6-179.5-65.4-57.1-63.400112.8A148 T152 L155 L294A148-M150 HydrophobicContact CB-SD 4.32Å; A148-M150 PolarHBondContact O-N 2.88Å; M150-T152 PolarHBondContact O-N 2.94Å; M150-L155 HydrophobicContact CE-CD2 4Å; M150-L155 HydrophobicContact SD-CD2 3.98Å; M150-L294 HydrophobicContact SD-CD1 4.32Å
151D84.8Confident91Very high134 Ų13465.5 Ų65.572%0.71736%0.357SS*.THydrogen-bonded Turntrans-80.53.1175.9-54.1-38.4000112.7D149 P153D149-D151 PolarHBondContact O-N 3.49Å; D149-D151 PolarHBondContact OD1-N 3.19Å; D151-P153 VanDerWaalsContact O-CD 3.28Å; D151-P153 WeakPolarHBondContact O-CD 3.28Å; D151-P153 VanDerWaalsContact O-N 3.14Å
152T84Confident90.9Very high27 Ų2764.3 Ų64.317%0.16636%0.36CS..SBendtrans-56.6120175.1-60.50000109.4D149 M150 G154 L155 M183 L262D149-T152 WeakPolarHBondContact O-CB 3.24Å; D149-T152 PolarHBondContact O-N 3.06Å; D149-T152 VanDerWaalsContact O-N 3.16Å; D149-T152 PolarHBondContact O-OG1 3.25Å; M150-T152 PolarHBondContact O-N 2.94Å; T152-G154 PolarHBondContact O-N 3.13Å; T152-L155 VanDerWaalsContact O-CB 3.29Å; T152-L155 WeakPolarHBondContact O-CB 3.45Å; T152-L155 PolarHBondContact O-N 2.97Å; T152-M183 HydrophobicContact CG2-CE 4.07Å; T152-L262 HydrophobicContact CG2-CD1 4.24Å
153P86.3Confident91Very high116 Ų11669.1 Ų69.175%0.75338%0.381SS*.THydrogen-bonded Turntrans-57.6135-177.1-26.534.8000112D151 L155 M183D151-P153 VanDerWaalsContact O-CD 3.28Å; D151-P153 WeakPolarHBondContact O-CD 3.28Å; D151-P153 VanDerWaalsContact O-N 3.14Å; P153-L155 VanDerWaalsContact C-N 3.27Å; P153-L155 PolarHBondContact O-N 3.35Å; P153-M183 WeakPolarHBondContact O-CE 3.49Å
154G86Confident90.9Very high34 Ų3470 Ų7035%0.35139%0.388SS..THydrogen-bonded Turntrans765.3177.200000115.3T152 L156 V157T152-G154 PolarHBondContact O-N 3.13Å; G154-L156 VanDerWaalsContact C-N 3.29Å; G154-L156 PolarHBondContact O-N 2.73Å; G154-V157 PolarHBondContact O-N 3.16Å; G154-V157 VanDerWaalsContact O-N 3.13Å
155L90.1Very high90.7Very high5 Ų572.4 Ų72.43%0.02640%0.399CS..THydrogen-bonded Turntrans-56.5-42-174.7-169.270.2000113.2M150 T152 P153 M183 G184 V292 L294M150-L155 HydrophobicContact CE-CD2 4Å; M150-L155 HydrophobicContact SD-CD2 3.98Å; T152-L155 VanDerWaalsContact O-CB 3.29Å; T152-L155 WeakPolarHBondContact O-CB 3.45Å; T152-L155 PolarHBondContact O-N 2.97Å; P153-L155 VanDerWaalsContact C-N 3.27Å; P153-L155 PolarHBondContact O-N 3.35Å; L155-M183 HydrophobicContact CD1-CE 4.49Å; L155-M183 PolarHBondContact O-N 3.2Å; L155-G184 PolarHBondContact O-N 3.17Å; L155-V292 HydrophobicContact CD1-CB 3.72Å; L155-V292 HydrophobicContact CD1-CG1 3.77Å; L155-V292 HydrophobicContact CD1-CG2 4.28Å; L155-L294 HydrophobicContact CD1-CD2 4.2Å; L155-L294 HydrophobicContact CD2-CD1 4.48Å; L155-L294 HydrophobicContact CD2-CD2 4.08Å
156L90.9Very high90.6Very high120 Ų12075.8 Ų75.863%0.62842%0.423SS*.THydrogen-bonded Turntrans-101.80.7179.7-57.6179.9000113.2G154G154-L156 VanDerWaalsContact C-N 3.29Å; G154-L156 PolarHBondContact O-N 2.73Å
157V92.3Very high90.4Very high85 Ų8575.6 Ų75.652%0.51542%0.421SS..SBendtrans-83.2135.1-176.1-178.90000109.1G154 K182G154-V157 PolarHBondContact O-N 3.16Å; G154-V157 VanDerWaalsContact O-N 3.13Å; V157-K182 WeakPolarHBondContact O-CA 3.32Å
158P94.4Very high90.2Very high79 Ų7973 Ų7351%0.51342%0.421SS..  trans-56.5141.9172.2-24.433.9000112.1A180 K181P158-A180 CarbonylContact C-O 3.58Å; P158-A180 WeakPolarHBondContact CA-O 3.26Å; P158-K181 VanDerWaalsContact CA-O 3.31Å; P158-K181 WeakPolarHBondContact CA-O 3.37Å
159Q95.8Very high89.8Confident22 Ų2281.1 Ų81.110%0.10345%0.451CS..EExtended strand (participates in β ladder)trans-106.9135.5177.9-56.1-175.562.800108.8H179 A180 K182 L289 P290Q159-H179 CarbonylContact O-C 3.56Å; Q159-H179 VanDerWaalsContact O-CA 3.29Å; Q159-H179 WeakPolarHBondContact O-CA 3.2Å; Q159-H179 PolarHBondContact O-CD2 2.94Å; Q159-H179 VanDerWaalsContact O-CD2 3.3Å; Q159-A180 PolarHBondContact N-O 3.06Å; Q159-A180 PolarHBondContact O-N 2.83Å; Q159-K182 PolarHBondContact NE2-O 3.43Å; Q159-L289 HydrophobicContact CB-CD2 4.2Å; Q159-P290 PolarHBondContact NE2-O 3.25Å; Q159-P290 VanDerWaalsContact OE1-CG 3.28Å; Q159-P290 PolarHBondContact OE1-O 3.24Å
160Q95.8Very high89.3Confident125 Ų12582.8 Ų82.858%0.58448%0.479SS*.EExtended strand (participates in β ladder)trans-137.5127.8173.4-171.6175.6-200108.9D177 V178Q160-D177 WeakPolarHBondContact CG-OD1 3.32Å; Q160-D177 PolarHBondContact NE2-OD1 2.83Å; Q160-D177 PolarHBondContact NE2-OD2 3.27Å; Q160-V178 WeakPolarHBondContact CA-O 3.46Å
161E96.7Very high89.3Confident92 Ų9278.6 Ų78.643%0.4346%0.46SS..EExtended strand (participates in β ladder)trans-137.1128.6177.2-72.5-70.4173.800109V178 V287 L289E161-V178 PolarHBondContact N-O 2.96Å; E161-V178 PolarHBondContact O-N 2.81Å; E161-V287 HydrophobicContact CB-CB 3.93Å; E161-V287 HydrophobicContact CB-CG1 4.14Å; E161-V287 HydrophobicContact CB-CG2 4.4Å; E161-L289 HydrophobicContact CB-CD2 3.89Å; E161-L289 HydrophobicContact CG-CD2 3.56Å
162S94.6Very high89.6Confident74 Ų7473.5 Ų73.552%0.51744%0.439SS..EExtended strand (participates in β ladder)trans-119153-179.964.70000112M176S162-M176 CarbonylContact C-O 3.55Å; S162-M176 WeakPolarHBondContact CA-O 3.47Å
163K96.1Very high90Very high107 Ų10776.3 Ų76.347%0.46545%0.453SS..EExtended strand (participates in β ladder)trans-149.8125.1175-164.364.5173.8176.20111.8S175 M176 P285 V287K163-S175 WeakPolarHBondContact O-CA 3.32Å; K163-M176 HydrophobicContact CB-CE 4.06Å; K163-M176 HydrophobicContact CB-CG 4.33Å; K163-M176 PolarHBondContact N-O 2.86Å; K163-M176 PolarHBondContact O-N 2.9Å; K163-P285 HydrophobicContact CG-CB 4.12Å; K163-V287 HydrophobicContact CB-CG1 3.71Å
164D93Very high90.4Very high115 Ų11570.8 Ų70.862%0.61542%0.418SS*.EExtended strand (participates in β ladder)trans-100.8148.5172.4-52.6-55.1000111.4S175D164-S175 WeakPolarHBondContact OD1-CB 3.28Å
165K91.8Very high90.9Very high50 Ų5070.5 Ų70.522%0.21741%0.41CS..EExtended strand (participates in β ladder)trans-144.6124172.9178.3166.6-179152.60111.4L167 N173 V174 A283 P285K165-L167 HydrophobicContact CD-CD2 4.22Å; K165-L167 HydrophobicContact CG-CD2 4.23Å; K165-N173 CarbonylContact O-C 3.58Å; K165-N173 VanDerWaalsContact O-CA 3.31Å; K165-N173 WeakPolarHBondContact O-CA 3.45Å; K165-V174 HydrophobicContact CB-CG1 4.16Å; K165-V174 PolarHBondContact N-O 2.91Å; K165-V174 PolarHBondContact O-N 3.45Å; K165-A283 WeakPolarHBondContact CD-O 3.25Å; K165-A283 WeakPolarHBondContact CE-O 3.29Å; K165-A283 PolarHBondContact NZ-O 3.09Å; K165-P285 HydrophobicContact CB-CB 4.15Å; K165-P285 HydrophobicContact CB-CG 4.4Å; K165-P285 HydrophobicContact CD-CB 4.42Å; K165-P285 HydrophobicContact CD-CG 4.43Å
166S91.3Very high91.2Very high100 Ų10070.3 Ų70.370%0.69941%0.409SS*.EExtended strand (participates in β ladder)trans-82.3138.7163.9-171.50000110.4
167L87.6Confident91.5Very high8 Ų866.4 Ų66.44%0.04239%0.389CS..PPolyproline II helixtrans-99.3146.7176-59.9-175.5000110.6K165 G172 R203 I279 A282K165-L167 HydrophobicContact CD-CD2 4.22Å; K165-L167 HydrophobicContact CG-CD2 4.23Å; L167-G172 WeakPolarHBondContact CB-O 3.25Å; L167-G172 PolarHBondContact N-O 2.8Å; L167-R203 HydrophobicContact CD1-CB 4.3Å; L167-R203 HydrophobicContact CD1-CG 4.18Å; L167-I279 HydrophobicContact CD1-CG2 4.35Å; L167-I279 HydrophobicContact CD2-CD1 4.25Å; L167-I279 HydrophobicContact CD2-CG2 4.43Å; L167-A282 HydrophobicContact CD2-CB 3.89Å
168A86.1Confident91.8Very high59 Ų5962.4 Ų62.449%0.48836%0.364SS..SBendtrans-66163.1-179.300000112.7G170 S171A168-G170 PolarHBondContact O-N 3.03Å; A168-S171 VanDerWaalsContact O-CB 3.31Å; A168-S171 WeakPolarHBondContact O-CB 3.41Å; A168-S171 PolarHBondContact O-N 2.57Å; A168-S171 PolarHBondContact O-OG 2.78Å
169F79Confident91.9Very high200 Ų20061.6 Ų61.688%0.87735%0.354SS*.THydrogen-bonded Turntrans59.239174-49-77000114.2S171F169-S171 PolarHBondContact O-N 3.37Å; F169-S171 VanDerWaalsContact O-N 3.12Å
170G74.4Confident92Very high81 Ų8160.6 Ų60.684%0.83535%0.349SS*.THydrogen-bonded Turntrans65.517.5177.800000114.1A168 G172A168-G170 PolarHBondContact O-N 3.03Å; G170-G172 PolarHBondContact O-N 2.85Å
171S83.4Confident91.9Very high17 Ų1761.3 Ų61.312%0.11935%0.35CS..  trans-70.92.1-178.3-62.50000113.5A168 F169 S201 S202A168-S171 VanDerWaalsContact O-CB 3.31Å; A168-S171 WeakPolarHBondContact O-CB 3.41Å; A168-S171 PolarHBondContact O-N 2.57Å; A168-S171 PolarHBondContact O-OG 2.78Å; F169-S171 PolarHBondContact O-N 3.37Å; F169-S171 VanDerWaalsContact O-N 3.12Å; S171-S201 CarbonylContact O-C 3.39Å; S171-S201 WeakPolarHBondContact O-CA 3.29Å; S171-S201 WeakPolarHBondContact O-CB 3.24Å; S171-S202 PolarHBondContact O-N 2.79Å; S171-S202 PolarHBondContact O-OG 2.86Å
172G91.3Very high91.9Very high27 Ų2759.2 Ų59.228%0.27834%0.34SS..  trans84.3-166.5-178.800000113.8L167 G170L167-G172 WeakPolarHBondContact CB-O 3.25Å; L167-G172 PolarHBondContact N-O 2.8Å; G170-G172 PolarHBondContact O-N 2.85Å
173N93.2Very high91.9Very high86 Ų8656.8 Ų56.846%0.4632%0.321SS..EExtended strand (participates in β ladder)trans-123.3156.5-178.662.2-19.4000112K165 A200 S201K165-N173 CarbonylContact O-C 3.58Å; K165-N173 VanDerWaalsContact O-CA 3.31Å; K165-N173 WeakPolarHBondContact O-CA 3.45Å; N173-A200 CarbonylContact O-C 3.45Å; N173-A200 PolarHBondContact O-N 3.47Å; N173-A200 VanDerWaalsContact O-N 3.14Å; N173-A200 WeakPolarHBondContact OD1-CB 3.47Å; N173-S201 PolarHBondContact O-N 3.36Å
174V95.3Very high91.9Very high1 Ų151.8 Ų51.81%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-130.9136171.2640000109K165 I197 N198 N199 V205 L277 I279 P285K165-V174 HydrophobicContact CB-CG1 4.16Å; K165-V174 PolarHBondContact N-O 2.91Å; K165-V174 PolarHBondContact O-N 3.45Å; V174-I197 HydrophobicContact CG2-CG2 4.18Å; V174-N198 WeakPolarHBondContact CA-O 3.31Å; V174-N199 HydrophobicContact CG2-CB 4.37Å; V174-V205 HydrophobicContact CG2-CG1 4.25Å; V174-V205 HydrophobicContact CG2-CG2 4.4Å; V174-L277 HydrophobicContact CG2-CD1 3.65Å; V174-I279 HydrophobicContact CG1-CD1 3.7Å; V174-P285 HydrophobicContact CG1-CG 4.48Å
175S95.3Very high92Very high27 Ų2746.5 Ų46.519%0.18927%0.27CS..EExtended strand (participates in β ladder)trans-122.7150.9171.1690000111.6K163 D164 I197 N198K163-S175 WeakPolarHBondContact O-CA 3.32Å; D164-S175 WeakPolarHBondContact OD1-CB 3.28Å; S175-I197 WeakPolarHBondContact O-CA 3.42Å; S175-N198 PolarHBondContact N-O 2.81Å; S175-N198 PolarHBondContact O-N 2.85Å; S175-N198 WeakPolarHBondContact OG-CB 3.49Å
176M96.9Very high92.1Very high2 Ų249 Ų491%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-127.4142.5167.790.2-179.298.300109.7S162 K163 V178 Q196 V275 L277 P285 V287S162-M176 CarbonylContact C-O 3.55Å; S162-M176 WeakPolarHBondContact CA-O 3.47Å; K163-M176 HydrophobicContact CB-CE 4.06Å; K163-M176 HydrophobicContact CB-CG 4.33Å; K163-M176 PolarHBondContact N-O 2.86Å; K163-M176 PolarHBondContact O-N 2.9Å; M176-V178 HydrophobicContact CG-CG2 4.06Å; M176-V178 HydrophobicContact SD-CG2 3.97Å; M176-Q196 CarbonylContact C-O 3.58Å; M176-Q196 WeakPolarHBondContact CA-O 3.28Å; M176-V275 HydrophobicContact SD-CG1 4.32Å; M176-L277 HydrophobicContact CB-CD1 4.1Å; M176-L277 HydrophobicContact CB-CG 4.49Å; M176-L277 HydrophobicContact CE-CG 4.09Å; M176-L277 HydrophobicContact SD-CG 4.37Å; M176-P285 HydrophobicContact CE-CB 3.73Å; M176-P285 HydrophobicContact CE-CG 4.03Å; M176-P285 VanDerWaalsContact CE-O 3.27Å; M176-P285 WeakPolarHBondContact CE-O 3.46Å; M176-V287 HydrophobicContact CE-CG1 4.42Å; M176-V287 HydrophobicContact CG-CG1 4.35Å; M176-V287 HydrophobicContact SD-CG1 4.23Å; M176-V287 HydrophobicContact SD-CG2 3.92Å
177D97.4Very high92.1Very high38 Ų3845.3 Ų45.320%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-125.5126.1166-170-6.2000107.9Q160 I195 Q196Q160-D177 WeakPolarHBondContact CG-OD1 3.32Å; Q160-D177 PolarHBondContact NE2-OD1 2.83Å; Q160-D177 PolarHBondContact NE2-OD2 3.27Å; D177-I195 CarbonylContact O-C 3.51Å; D177-I195 WeakPolarHBondContact O-CA 3.29Å; D177-Q196 HydrophobicContact CB-CB 4.33Å; D177-Q196 PolarHBondContact N-O 2.9Å; D177-Q196 PolarHBondContact O-N 2.8Å
178V97.8Very high92.4Very high0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-121.1120.4-173.4-175.80000108.9Q160 E161 M176 V193 N194 I195 V275 V287 L289Q160-V178 WeakPolarHBondContact CA-O 3.46Å; E161-V178 PolarHBondContact N-O 2.96Å; E161-V178 PolarHBondContact O-N 2.81Å; M176-V178 HydrophobicContact CG-CG2 4.06Å; M176-V178 HydrophobicContact SD-CG2 3.97Å; V178-V193 HydrophobicContact CG1-CG1 3.59Å; V178-N194 WeakPolarHBondContact CA-O 3.35Å; V178-I195 HydrophobicContact CG1-CG1 4.15Å; V178-I195 HydrophobicContact CG2-CG1 4.16Å; V178-I195 HydrophobicContact CG2-CG2 4.12Å; V178-V275 HydrophobicContact CG1-CB 4.47Å; V178-V275 HydrophobicContact CG1-CG2 3.9Å; V178-V275 HydrophobicContact CG2-CB 4.12Å; V178-V275 HydrophobicContact CG2-CG1 3.99Å; V178-V275 HydrophobicContact CG2-CG2 4.43Å; V178-V287 HydrophobicContact CB-CG2 3.91Å; V178-V287 HydrophobicContact CG1-CG2 4.47Å; V178-V287 HydrophobicContact CG2-CG2 3.48Å; V178-V287 VanDerWaalsContact CG2-CG2 3.48Å; V178-L289 HydrophobicContact CG1-CD1 3.79Å; V178-L289 HydrophobicContact CG1-CG 4.36Å
179H97.5Very high92.8Very high62 Ų6246.2 Ų46.229%0.28726%0.256SS..EExtended strand (participates in β ladder)trans-118.9135.8-178.4178.5-99.4000111.9Q159 N194Q159-H179 CarbonylContact O-C 3.56Å; Q159-H179 VanDerWaalsContact O-CA 3.29Å; Q159-H179 WeakPolarHBondContact O-CA 3.2Å; Q159-H179 PolarHBondContact O-CD2 2.94Å; Q159-H179 VanDerWaalsContact O-CD2 3.3Å; H179-N194 HydrophobicContact CB-CB 4.39Å; H179-N194 PolarHBondContact N-O 3.16Å; H179-N194 PolarHBondContact O-N 2.65Å
180A97.1Very high93.6Very high1 Ų138.4 Ų38.41%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-133.1144.117100000110.2P158 Q159 K182 M191 L289P158-A180 CarbonylContact C-O 3.58Å; P158-A180 WeakPolarHBondContact CA-O 3.26Å; Q159-A180 PolarHBondContact N-O 3.06Å; Q159-A180 PolarHBondContact O-N 2.83Å; A180-K182 VanDerWaalsContact C-N 3.3Å; A180-K182 PolarHBondContact O-N 3Å; A180-M191 HydrophobicContact CB-CE 3.6Å; A180-L289 HydrophobicContact CB-CD1 3.78Å
181K95.3Very high94.6Very high140 Ų14034.5 Ų34.561%0.60919%0.188SC*.SBendtrans-66.4-28.1-172-68.7-176.2176.4-179.20114.8P158P158-K181 VanDerWaalsContact CA-O 3.31Å; P158-K181 WeakPolarHBondContact CA-O 3.37Å
182K94.8Very high95.3Very high48 Ų4839.1 Ų39.121%0.20920%0.204CC..  trans-161.1172.8-174.962.4177.7-179.4158.10111.9V157 Q159 A180 G184 Y185 E189V157-K182 WeakPolarHBondContact O-CA 3.32Å; Q159-K182 PolarHBondContact NE2-O 3.43Å; A180-K182 VanDerWaalsContact C-N 3.3Å; A180-K182 PolarHBondContact O-N 3Å; K182-G184 WeakPolarHBondContact CD-O 3.44Å; K182-G184 WeakPolarHBondContact CE-O 3.31Å; K182-G184 PolarHBondContact NZ-O 3.16Å; K182-Y185 HydrophobicContact CG-CE1 4.04Å; K182-Y185 HydrophobicContact CG-CE2 4.19Å; K182-Y185 VanDerWaalsContact O-CE2 3.26Å; K182-Y185 WeakPolarHBondContact O-CE2 3.46Å; K182-Y185 PolarHBondContact O-OH 2.81Å; K182-E189 WeakPolarHBondContact CE-OE1 3.44Å; K182-E189 VanDerWaalsContact NZ-CD 3.34Å; K182-E189 IonicContact NZ-OE1 3.47Å; K182-E189 PolarHBondContact NZ-OE1 3.11Å; K182-E189 IonicContact NZ-OE2 2.93Å; K182-E189 PolarHBondContact NZ-OE2 2.72Å
183M95.6Very high95.6Very high24 Ų2437.8 Ų37.812%0.11819%0.191CC..SBendtrans-101.5-30.1176.2-175.8178.862.200113.3T152 P153 L155 Y185 P290 V292T152-M183 HydrophobicContact CG2-CE 4.07Å; P153-M183 WeakPolarHBondContact O-CE 3.49Å; L155-M183 HydrophobicContact CD1-CE 4.49Å; L155-M183 PolarHBondContact O-N 3.2Å; M183-Y185 WeakPolarHBondContact O-CD2 3.4Å; M183-P290 HydrophobicContact CG-CB 4.4Å; M183-P290 HydrophobicContact CG-CG 4.47Å; M183-P290 HydrophobicContact SD-CB 3.97Å; M183-P290 HydrophobicContact SD-CG 3.94Å; M183-V292 HydrophobicContact CE-CG2 3.8Å; M183-V292 HydrophobicContact CG-CB 4.45Å; M183-V292 HydrophobicContact CG-CG2 3.91Å; M183-V292 PolarHBondContact O-N 3.3Å; M183-V292 HydrophobicContact SD-CG2 3.95Å
184G95.3Very high95.8Very high1 Ų136.4 Ų36.41%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-91.1123.4-177.400000114.2L155 K182 V292L155-G184 PolarHBondContact O-N 3.17Å; K182-G184 WeakPolarHBondContact CD-O 3.44Å; K182-G184 WeakPolarHBondContact CE-O 3.31Å; K182-G184 PolarHBondContact NZ-O 3.16Å; G184-V292 CarbonylContact C-O 3.58Å; G184-V292 WeakPolarHBondContact CA-O 3.39Å
185Y95.1Very high95.9Very high4 Ų436.4 Ų36.42%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-130.3145.3178.5-62.4-92.6000111.3K182 M183 E189 M191 I253 I291 V292 I293 L294K182-Y185 HydrophobicContact CG-CE1 4.04Å; K182-Y185 HydrophobicContact CG-CE2 4.19Å; K182-Y185 VanDerWaalsContact O-CE2 3.26Å; K182-Y185 WeakPolarHBondContact O-CE2 3.46Å; K182-Y185 PolarHBondContact O-OH 2.81Å; M183-Y185 WeakPolarHBondContact O-CD2 3.4Å; Y185-E189 WeakPolarHBondContact CA-OE2 3.48Å; Y185-E189 HydrophobicContact CD1-CG 4.26Å; Y185-M191 HydrophobicContact CD1-CB 4.16Å; Y185-M191 HydrophobicContact CE1-CB 3.69Å; Y185-M191 HydrophobicContact CE1-CG 3.86Å; Y185-M191 HydrophobicContact CE2-CE 4.4Å; Y185-M191 HydrophobicContact CE2-CG 4.29Å; Y185-M191 HydrophobicContact CE2-SD 4.23Å; Y185-I253 HydrophobicContact CG-CG1 4.33Å; Y185-I291 HydrophobicContact CD2-CG2 4.01Å; Y185-V292 PolarHBondContact N-O 3.43Å; Y185-I293 WeakPolarHBondContact O-CA 3.31Å; Y185-L294 PolarHBondContact O-N 3.22Å
186K93.9Very high96Very high102 Ų10239 Ų3944%0.44319%0.192SC..EExtended strand (participates in β ladder)trans-83.1158.2168.6-64.3-174.3177.6-167.40110.4G188 E189 D297K186-G188 PolarHBondContact O-N 2.8Å; K186-E189 HydrophobicContact CB-CB 4.37Å; K186-E189 PolarHBondContact N-OE2 3.47Å; K186-E189 WeakPolarHBondContact O-CB 2.76Å; K186-E189 PolarHBondContact O-N 3.02Å; K186-E189 VanDerWaalsContact O-N 3.08Å; K186-D297 IonicContact NZ-OD2 2.94Å
187L92.9Very high96Very high23 Ų2338.9 Ų38.912%0.1219%0.191CC..THydrogen-bonded Turntrans-59.4131170.9-67.8172.2000110.1E189 P254 L257 I293L187-E189 VanDerWaalsContact C-N 3.28Å; L187-E189 PolarHBondContact O-N 3.08Å; L187-P254 VanDerWaalsContact CD2-O 3.29Å; L187-P254 WeakPolarHBondContact CD2-O 3.2Å; L187-L257 HydrophobicContact CD2-CB 3.73Å; L187-L257 WeakPolarHBondContact CD2-O 3.43Å; L187-I293 HydrophobicContact CD2-CG2 3.56Å; L187-I293 HydrophobicContact CG-CG2 3.95Å
188G92.9Very high95.9Very high31 Ų3140.1 Ų40.132%0.3220%0.198SC..THydrogen-bonded Turntrans81.4-5.8-174.700000115.4K186 I253K186-G188 PolarHBondContact O-N 2.8Å; G188-I253 WeakPolarHBondContact CA-O 3.22Å; G188-I253 PolarHBondContact N-O 2.98Å
189E94.9Very high95.9Very high56 Ų5640.1 Ų40.126%0.26220%0.198SC..PPolyproline II helixtrans-72.1144.5178.5-167.4-179.216100111.5K182 Y185 K186 L187 I253K182-E189 WeakPolarHBondContact CE-OE1 3.44Å; K182-E189 VanDerWaalsContact NZ-CD 3.34Å; K182-E189 IonicContact NZ-OE1 3.47Å; K182-E189 PolarHBondContact NZ-OE1 3.11Å; K182-E189 IonicContact NZ-OE2 2.93Å; K182-E189 PolarHBondContact NZ-OE2 2.72Å; Y185-E189 WeakPolarHBondContact CA-OE2 3.48Å; Y185-E189 HydrophobicContact CD1-CG 4.26Å; K186-E189 HydrophobicContact CB-CB 4.37Å; K186-E189 PolarHBondContact N-OE2 3.47Å; K186-E189 WeakPolarHBondContact O-CB 2.76Å; K186-E189 PolarHBondContact O-N 3.02Å; K186-E189 VanDerWaalsContact O-N 3.08Å; L187-E189 VanDerWaalsContact C-N 3.28Å; L187-E189 PolarHBondContact O-N 3.08Å; E189-I253 WeakPolarHBondContact O-CB 3.27Å; E189-I253 WeakPolarHBondContact O-CG1 2.97Å; E189-I253 PolarHBondContact O-N 2.67Å
190A95.9Very high95.7Very high35 Ų3539.4 Ų39.429%0.28920%0.203SC..EExtended strand (participates in β ladder)trans-87.1121.9174.900000111.6Y192 I250A190-Y192 HydrophobicContact CB-CE2 4.14Å; A190-I250 HydrophobicContact CB-CG2 3.93Å
191M95.9Very high95.5Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-89.9121.9171.5177179.8-170.200110.2A180 Y185 V193 I250 I251 L273 L289 I291A180-M191 HydrophobicContact CB-CE 3.6Å; Y185-M191 HydrophobicContact CD1-CB 4.16Å; Y185-M191 HydrophobicContact CE1-CB 3.69Å; Y185-M191 HydrophobicContact CE1-CG 3.86Å; Y185-M191 HydrophobicContact CE2-CE 4.4Å; Y185-M191 HydrophobicContact CE2-CG 4.29Å; Y185-M191 HydrophobicContact CE2-SD 4.23Å; M191-V193 HydrophobicContact CE-CG2 4.04Å; M191-V193 HydrophobicContact CG-CG2 3.91Å; M191-V193 HydrophobicContact SD-CG2 4.18Å; M191-I250 CarbonylContact O-C 3.59Å; M191-I250 WeakPolarHBondContact O-CA 3.35Å; M191-I251 HydrophobicContact CB-CB 4.43Å; M191-I251 WeakPolarHBondContact CB-O 3.34Å; M191-I251 PolarHBondContact N-O 2.81Å; M191-I251 PolarHBondContact O-N 2.87Å; M191-L273 HydrophobicContact CE-CD2 3.93Å; M191-L273 HydrophobicContact SD-CD2 4.14Å; M191-L289 HydrophobicContact CE-CD1 4.16Å; M191-I291 HydrophobicContact CE-CD1 4.29Å; M191-I291 HydrophobicContact CE-CG1 4.38Å; M191-I291 HydrophobicContact SD-CD1 3.7Å; M191-I291 HydrophobicContact SD-CG1 4.24Å
192Y96.8Very high95.4Very high113 Ų11335.5 Ų35.544%0.44319%0.193SC..EExtended strand (participates in β ladder)trans-96.1122.7173.9-62.7-97.9000109.6A190 I250A190-Y192 HydrophobicContact CB-CE2 4.14Å; Y192-I250 HydrophobicContact CD1-CD1 4.14Å; Y192-I250 HydrophobicContact CD1-CG1 3.78Å; Y192-I250 HydrophobicContact CE1-CD1 3.63Å; Y192-I250 HydrophobicContact CE1-CG1 3.77Å; Y192-I250 HydrophobicContact CE1-CG2 4.44Å
193V97.4Very high95.3Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-118.1115.8-178.3-165.30000107.9V178 M191 I195 T248 K249 I251 L273 L289V178-V193 HydrophobicContact CG1-CG1 3.59Å; M191-V193 HydrophobicContact CE-CG2 4.04Å; M191-V193 HydrophobicContact CG-CG2 3.91Å; M191-V193 HydrophobicContact SD-CG2 4.18Å; V193-I195 HydrophobicContact CB-CD1 4.06Å; V193-I195 HydrophobicContact CG1-CD1 3.76Å; V193-I195 HydrophobicContact CG1-CG1 4.15Å; V193-I195 VanDerWaalsContact O-CD1 3.29Å; V193-I195 WeakPolarHBondContact O-CD1 3.37Å; V193-T248 CarbonylContact O-C 3.6Å; V193-T248 WeakPolarHBondContact O-CA 3.27Å; V193-K249 PolarHBondContact N-O 2.86Å; V193-K249 PolarHBondContact O-N 2.88Å; V193-I251 HydrophobicContact CG2-CD1 4.15Å; V193-L273 HydrophobicContact CB-CD2 4.42Å; V193-L273 HydrophobicContact CG1-CD2 4.07Å; V193-L273 HydrophobicContact CG2-CD2 3.55Å; V193-L289 HydrophobicContact CG1-CD1 4.48Å
194N97.6Very high95.2Very high57 Ų5737.3 Ų37.331%0.30521%0.205SC..EExtended strand (participates in β ladder)trans-94.7130.5174.1-66.5-26.7000108.3V178 H179 T248V178-N194 WeakPolarHBondContact CA-O 3.35Å; H179-N194 HydrophobicContact CB-CB 4.39Å; H179-N194 PolarHBondContact N-O 3.16Å; H179-N194 PolarHBondContact O-N 2.65Å; N194-T248 VanDerWaalsContact OD1-CG2 3.32Å; N194-T248 WeakPolarHBondContact OD1-CG2 3.28Å; N194-T248 PolarHBondContact OD1-OG1 2.85Å
195I97.1Very high95.2Very high1 Ų137.3 Ų37.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-126.8123.2-179.3-53.991.7000107.9D177 V178 V193 I197 F209 M246 L247 K249 V275D177-I195 CarbonylContact O-C 3.51Å; D177-I195 WeakPolarHBondContact O-CA 3.29Å; V178-I195 HydrophobicContact CG1-CG1 4.15Å; V178-I195 HydrophobicContact CG2-CG1 4.16Å; V178-I195 HydrophobicContact CG2-CG2 4.12Å; V193-I195 HydrophobicContact CB-CD1 4.06Å; V193-I195 HydrophobicContact CG1-CD1 3.76Å; V193-I195 HydrophobicContact CG1-CG1 4.15Å; V193-I195 VanDerWaalsContact O-CD1 3.29Å; V193-I195 WeakPolarHBondContact O-CD1 3.37Å; I195-I197 HydrophobicContact CG2-CD1 4.16Å; I195-I197 HydrophobicContact CG2-CG1 3.83Å; I195-F209 HydrophobicContact CD1-CE1 3.4Å; I195-F209 HydrophobicContact CD1-CZ 3.55Å; I195-F209 HydrophobicContact CG1-CE1 3.91Å; I195-F209 HydrophobicContact CG1-CZ 4.12Å; I195-M246 WeakPolarHBondContact O-CA 3.28Å; I195-L247 HydrophobicContact CB-CD1 3.77Å; I195-L247 HydrophobicContact CB-CD2 4.42Å; I195-L247 HydrophobicContact CB-CG 3.85Å; I195-L247 HydrophobicContact CD1-CD1 3.45Å; I195-L247 VanDerWaalsContact CD1-CD1 3.45Å; I195-L247 HydrophobicContact CD1-CG 4.4Å; I195-L247 HydrophobicContact CG1-CD1 4.08Å; I195-L247 HydrophobicContact CG2-CG 4.49Å; I195-L247 PolarHBondContact N-O 3.45Å; I195-L247 PolarHBondContact O-N 2.98Å; I195-K249 HydrophobicContact CD1-CB 4.24Å; I195-V275 HydrophobicContact CG1-CG1 4.42Å
196Q97.7Very high95.3Very high80 Ų8040.1 Ų40.137%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-105.2121.1171176176.8-44.100108.2M176 D177 Q244M176-Q196 CarbonylContact C-O 3.58Å; M176-Q196 WeakPolarHBondContact CA-O 3.28Å; D177-Q196 HydrophobicContact CB-CB 4.33Å; D177-Q196 PolarHBondContact N-O 2.9Å; D177-Q196 PolarHBondContact O-N 2.8Å; Q196-Q244 HydrophobicContact CG-CG 3.98Å
197I97.3Very high95.5Very high0 Ų035.2 Ų35.20%020%0.196CC..EExtended strand (participates in β ladder)trans-114.9127.4178.4-62.8168.9000107.6V174 S175 I195 N199 V205 P207 V238 Q244 K245 L247 L277V174-I197 HydrophobicContact CG2-CG2 4.18Å; S175-I197 WeakPolarHBondContact O-CA 3.42Å; I195-I197 HydrophobicContact CG2-CD1 4.16Å; I195-I197 HydrophobicContact CG2-CG1 3.83Å; I197-N199 HydrophobicContact CG2-CB 4.38Å; I197-V205 HydrophobicContact CG2-CG2 4.25Å; I197-P207 HydrophobicContact CD1-CB 4.28Å; I197-P207 HydrophobicContact CD1-CG 3.46Å; I197-P207 VanDerWaalsContact CD1-CG 3.46Å; I197-V238 HydrophobicContact CD1-CG2 3.9Å; I197-V238 HydrophobicContact CG2-CG1 4.24Å; I197-Q244 CarbonylContact O-C 3.48Å; I197-Q244 WeakPolarHBondContact O-CA 3.2Å; I197-K245 PolarHBondContact N-O 3.16Å; I197-K245 PolarHBondContact O-N 3.03Å; I197-L247 HydrophobicContact CD1-CD2 3.64Å; I197-L247 HydrophobicContact CG1-CD2 4.48Å; I197-L277 HydrophobicContact CD1-CD2 3.62Å; I197-L277 HydrophobicContact CG1-CD2 4.2Å; I197-L277 HydrophobicContact CG2-CD1 4.29Å
198N96.3Very high95.7Very high64 Ų6436.7 Ų36.734%0.34220%0.201SC..EExtended strand (participates in β ladder)trans-107108.3166.2-174.97.2000108.5V174 S175 G243V174-N198 WeakPolarHBondContact CA-O 3.31Å; S175-N198 PolarHBondContact N-O 2.81Å; S175-N198 PolarHBondContact O-N 2.85Å; S175-N198 WeakPolarHBondContact OG-CB 3.49Å; N198-G243 WeakPolarHBondContact CA-O 3.41Å
199N95.8Very high95.9Very high0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-106.986.3178.8-167.911000110.8V174 I197 S201 R203 V238 E239 R241 S242 G243V174-N199 HydrophobicContact CG2-CB 4.37Å; I197-N199 HydrophobicContact CG2-CB 4.38Å; N199-S201 VanDerWaalsContact OD1-CB 3.29Å; N199-S201 WeakPolarHBondContact OD1-CB 3.36Å; N199-S201 PolarHBondContact OD1-N 2.9Å; N199-S201 VanDerWaalsContact OD1-N 3.15Å; N199-S201 PolarHBondContact OD1-OG 2.8Å; N199-R203 PolarHBondContact ND2-O 3.02Å; N199-V238 HydrophobicContact CB-CG1 4.11Å; N199-V238 PolarHBondContact ND2-O 2.87Å; N199-E239 PolarHBondContact ND2-O 2.83Å; N199-R241 WeakPolarHBondContact O-CA 3.3Å; N199-R241 PolarHBondContact O-N 2.93Å; N199-S242 PolarHBondContact O-N 2.92Å; N199-G243 PolarHBondContact N-O 3.33Å; N199-G243 PolarHBondContact O-N 2.76Å
200A93.4Very high96.1Very high48 Ų4833.6 Ų33.640%0.39718%0.179SC..  trans-87.45.7169.500000112.2N173N173-A200 CarbonylContact O-C 3.45Å; N173-A200 PolarHBondContact O-N 3.47Å; N173-A200 VanDerWaalsContact O-N 3.14Å; N173-A200 WeakPolarHBondContact OD1-CB 3.47Å
201S93.6Very high96.2Very high0 Ų032 Ų320%017%0.165CC..SBendtrans-83.3159.3178.391.40000112.4S171 N173 N199 R203 G240 R241S171-S201 CarbonylContact O-C 3.39Å; S171-S201 WeakPolarHBondContact O-CA 3.29Å; S171-S201 WeakPolarHBondContact O-CB 3.24Å; N173-S201 PolarHBondContact O-N 3.36Å; N199-S201 VanDerWaalsContact OD1-CB 3.29Å; N199-S201 WeakPolarHBondContact OD1-CB 3.36Å; N199-S201 PolarHBondContact OD1-N 2.9Å; N199-S201 VanDerWaalsContact OD1-N 3.15Å; N199-S201 PolarHBondContact OD1-OG 2.8Å; S201-R203 PolarHBondContact O-N 2.83Å; S201-R203 PolarHBondContact OG-N 2.89Å; S201-R203 PolarHBondContact OG-O 3.49Å; S201-G240 CarbonylContact O-C 3.41Å; S201-G240 VanDerWaalsContact O-CA 3.25Å; S201-G240 WeakPolarHBondContact O-CA 3.47Å; S201-R241 PolarHBondContact O-N 2.84Å
202S92.7Very high96.3Very high58 Ų5832.8 Ų32.841%0.40617%0.168SC..SBendtrans-73.9-7.3173.159.30000113.9S171S171-S202 PolarHBondContact O-N 2.79Å; S171-S202 PolarHBondContact O-OG 2.86Å
203R93.1Very high96.3Very high60 Ų6027.7 Ų27.723%0.22615%0.149CC..SBendtrans-103.6139.2-174.4-57.9-169.6-172.8179.61.5111L167 N199 S201 I279 K280 C281L167-R203 HydrophobicContact CD1-CB 4.3Å; L167-R203 HydrophobicContact CD1-CG 4.18Å; N199-R203 PolarHBondContact ND2-O 3.02Å; S201-R203 PolarHBondContact O-N 2.83Å; S201-R203 PolarHBondContact OG-N 2.89Å; S201-R203 PolarHBondContact OG-O 3.49Å; R203-I279 HydrophobicContact CB-CG2 4.32Å; R203-K280 PolarHBondContact NH1-O 2.65Å; R203-C281 PolarHBondContact NH1-O 2.76Å
204S94.4Very high96.3Very high50 Ų5028.9 Ų28.935%0.3515%0.154SC..  trans-72.3140.8169.3-43.60000110.1V238 E239S204-V238 CarbonylContact C-O 3.58Å; S204-V238 VanDerWaalsContact CA-O 3.3Å; S204-V238 WeakPolarHBondContact CA-O 3.38Å; S204-E239 WeakPolarHBondContact CB-OE2 3.47Å; S204-E239 PolarHBondContact OG-OE2 2.8Å
205V95.6Very high96.4Very high1 Ų128.7 Ų28.71%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-120.7143.5-178-56.10000110.5V174 I197 V238 L277 I279V174-V205 HydrophobicContact CG2-CG1 4.25Å; V174-V205 HydrophobicContact CG2-CG2 4.4Å; I197-V205 HydrophobicContact CG2-CG2 4.25Å; V205-V238 HydrophobicContact CG2-CB 3.79Å; V205-V238 HydrophobicContact CG2-CG1 4.45Å; V205-V238 HydrophobicContact CG2-CG2 4.43Å; V205-V238 PolarHBondContact N-O 2.89Å; V205-V238 PolarHBondContact O-N 2.78Å; V205-L277 HydrophobicContact CB-CB 4.34Å; V205-L277 HydrophobicContact CG2-CD1 4.37Å; V205-I279 HydrophobicContact CB-CG1 4.35Å; V205-I279 HydrophobicContact CG1-CD1 4Å; V205-I279 HydrophobicContact CG1-CG1 3.76Å; V205-I279 HydrophobicContact CG1-CG2 4.48Å
206K96.7Very high96.4Very high63 Ų6328.6 Ų28.627%0.27415%0.148SC..EExtended strand (participates in β ladder)trans-116.9111.8-180-171.1169.1-167.3157.30111.7K208 V237 D278K206-K208 PolarHBondContact O-N 2.97Å; K206-V237 HydrophobicContact CD-CG2 4.33Å; K206-V237 HydrophobicContact CG-CG2 4.44Å; K206-D278 HydrophobicContact CB-CB 4.22Å; K206-D278 PolarHBondContact N-O 2.94Å; K206-D278 WeakPolarHBondContact O-CB 3.44Å; K206-D278 PolarHBondContact O-N 2.69Å
207P97.1Very high96.4Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-67.5131.3177.2-17.531.9000111.2I197 F209 K234 S235 D236 V238 L247 L277I197-P207 HydrophobicContact CD1-CB 4.28Å; I197-P207 HydrophobicContact CD1-CG 3.46Å; I197-P207 VanDerWaalsContact CD1-CG 3.46Å; P207-F209 HydrophobicContact CB-CE2 4.08Å; P207-F209 HydrophobicContact CB-CZ 4.23Å; P207-K234 WeakPolarHBondContact O-CA 3.19Å; P207-S235 PolarHBondContact O-N 2.86Å; P207-D236 VanDerWaalsContact CD-O 3.28Å; P207-D236 WeakPolarHBondContact CD-O 3.39Å; P207-V238 HydrophobicContact CG-CG2 4.23Å; P207-L247 HydrophobicContact CB-CD2 4.47Å; P207-L247 HydrophobicContact CG-CD2 3.89Å; P207-L277 HydrophobicContact CB-CD2 4.08Å; P207-L277 HydrophobicContact CG-CD2 4.09Å
208K97.7Very high96.5Very high53 Ų5327.4 Ų27.423%0.2314%0.142CC..EExtended strand (participates in β ladder)trans-128.8144.3176.4-67.4-179.3-172.5166.90110.5K206 E233 K234 V275 Y276 D278K206-K208 PolarHBondContact O-N 2.97Å; K208-E233 WeakPolarHBondContact CA-O 3.48Å; K208-K234 HydrophobicContact CG-CB 4.43Å; K208-V275 WeakPolarHBondContact O-CA 3.4Å; K208-Y276 HydrophobicContact CB-CD1 4.03Å; K208-Y276 HydrophobicContact CB-CD2 4.21Å; K208-Y276 HydrophobicContact CB-CE1 3.54Å; K208-Y276 HydrophobicContact CB-CE2 3.75Å; K208-Y276 HydrophobicContact CB-CG 4.34Å; K208-Y276 HydrophobicContact CD-CE2 3.57Å; K208-Y276 WeakPolarHBondContact CD-OH 3.4Å; K208-Y276 HydrophobicContact CG-CE2 4.23Å; K208-Y276 PolarHBondContact N-O 2.87Å; K208-Y276 WeakPolarHBondContact O-CD1 3.4Å; K208-Y276 PolarHBondContact O-N 2.8Å; K208-D278 HydrophobicContact CD-CB 4.08Å; K208-D278 WeakPolarHBondContact CE-OD2 2.8Å; K208-D278 IonicContact NZ-OD1 2.58Å; K208-D278 IonicContact NZ-OD2 3.9Å; K208-D278 PolarHBondContact NZ-OD2 3.42Å
209F97.8Very high96.6Very high2 Ų224.6 Ų24.61%0.00913%0.127CC..EExtended strand (participates in β ladder)trans-123.2132.3-175.6-56.6-91.4000108.4I195 P207 K232 E233 S235 L247 K249 I251 L273 K274 V275I195-F209 HydrophobicContact CD1-CE1 3.4Å; I195-F209 HydrophobicContact CD1-CZ 3.55Å; I195-F209 HydrophobicContact CG1-CE1 3.91Å; I195-F209 HydrophobicContact CG1-CZ 4.12Å; P207-F209 HydrophobicContact CB-CE2 4.08Å; P207-F209 HydrophobicContact CB-CZ 4.23Å; F209-K232 CarbonylContact O-C 3.53Å; F209-K232 VanDerWaalsContact O-CA 3.32Å; F209-K232 WeakPolarHBondContact O-CA 3.23Å; F209-E233 HydrophobicContact CB-CB 4.27Å; F209-E233 PolarHBondContact N-O 2.82Å; F209-E233 PolarHBondContact O-N 3.02Å; F209-S235 WeakPolarHBondContact CE2-OG 3.45Å; F209-L247 HydrophobicContact CZ-CD1 4.04Å; F209-K249 HydrophobicContact CD1-CB 4.5Å; F209-K249 HydrophobicContact CD1-CG 4.32Å; F209-K249 HydrophobicContact CD2-CD 4.44Å; F209-K249 HydrophobicContact CD2-CG 4.09Å; F209-K249 HydrophobicContact CE1-CB 4.12Å; F209-K249 HydrophobicContact CE1-CG 4.37Å; F209-K249 HydrophobicContact CE2-CB 4.36Å; F209-K249 HydrophobicContact CE2-CD 4.41Å; F209-K249 HydrophobicContact CE2-CG 4.14Å; F209-K249 HydrophobicContact CG-CG 4.22Å; F209-K249 HydrophobicContact CZ-CB 4.07Å; F209-K249 HydrophobicContact CZ-CG 4.29Å; F209-I251 HydrophobicContact CB-CD1 4.24Å; F209-I251 HydrophobicContact CD1-CD1 4.4Å; F209-L273 HydrophobicContact CB-CD1 4.25Å; F209-K274 CarbonylContact C-O 3.56Å; F209-K274 WeakPolarHBondContact CA-O 3.27Å; F209-V275 HydrophobicContact CD1-CB 4.44Å; F209-V275 HydrophobicContact CD1-CG1 4.1Å; F209-V275 HydrophobicContact CD1-CG2 3.75Å; F209-V275 HydrophobicContact CE1-CB 4.4Å; F209-V275 HydrophobicContact CE1-CG1 3.66Å; F209-V275 HydrophobicContact CE1-CG2 3.89Å; F209-V275 HydrophobicContact CZ-CG1 4.22Å
210E97.9Very high96.6Very high20 Ų2029.3 Ų29.39%0.09315%0.149CC..EExtended strand (participates in β ladder)trans-135.3104.8-179.6176.5170.7-150.700108.8Y212 T229 L231 K232 K274 Y276E210-Y212 HydrophobicContact CG-CD1 4.41Å; E210-T229 HydrophobicContact CG-CG2 3.75Å; E210-T229 WeakPolarHBondContact OE1-CG2 3.36Å; E210-T229 PolarHBondContact OE1-OG1 3.01Å; E210-L231 WeakPolarHBondContact CA-O 3.4Å; E210-K232 HydrophobicContact CG-CG 4.41Å; E210-K232 WeakPolarHBondContact OE1-CE 3.36Å; E210-K274 HydrophobicContact CB-CB 4.24Å; E210-K274 PolarHBondContact N-O 2.8Å; E210-K274 PolarHBondContact O-N 3.09Å; E210-K274 IonicContact OE2-NZ 2.64Å; E210-K274 PolarHBondContact OE2-NZ 2.9Å; E210-Y276 HydrophobicContact CB-CE1 4.33Å
211L98.2Very high96.7Very high2 Ų231 Ų311%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-82.7125.2168178.463.6000107.8I230 L231 I251 I253 I291L211-I230 HydrophobicContact CD2-CB 4.48Å; L211-I230 HydrophobicContact CD2-CG2 4.21Å; L211-I230 HydrophobicContact CG-CB 4.29Å; L211-I230 HydrophobicContact CG-CD1 4.19Å; L211-I230 WeakPolarHBondContact O-CB 3.36Å; L211-I230 PolarHBondContact O-N 3Å; L211-L231 HydrophobicContact CB-CB 4.16Å; L211-L231 PolarHBondContact N-O 2.85Å; L211-L231 PolarHBondContact O-N 2.86Å; L211-L231 VanDerWaalsContact O-N 3.16Å; L211-I251 HydrophobicContact CD2-CG2 4.47Å; L211-I253 HydrophobicContact CD2-CD1 4.36Å; L211-I291 HydrophobicContact CD1-CD1 3.56Å
212Y98.1Very high96.8Very high16 Ų1635.5 Ų35.56%0.06319%0.193CC..EExtended strand (participates in β ladder)trans-141.5146.9-17971.3-82.6000112E210 K214 T227 R228 R272 K274 K288E210-Y212 HydrophobicContact CG-CD1 4.41Å; Y212-K214 HydrophobicContact CD2-CB 4.41Å; Y212-K214 HydrophobicContact CE2-CB 4.09Å; Y212-T227 HydrophobicContact CD2-CG2 4.04Å; Y212-T227 HydrophobicContact CE2-CG2 3.99Å; Y212-R228 CarbonylContact C-O 3.47Å; Y212-R228 WeakPolarHBondContact CA-O 3.47Å; Y212-R228 WeakPolarHBondContact CB-O 3.44Å; Y212-R272 HydrophobicContact CD1-CB 4.24Å; Y212-R272 VanDerWaalsContact CD1-O 3.28Å; Y212-R272 WeakPolarHBondContact CD1-O 3.27Å; Y212-R272 HydrophobicContact CE1-CB 3.56Å; Y212-R272 HydrophobicContact CE2-CB 4.29Å; Y212-R272 PolarHBondContact N-O 2.95Å; Y212-R272 PolarHBondContact O-N 3.29Å; Y212-R272 WeakPolarHBondContact OH-CD 3.32Å; Y212-K274 HydrophobicContact CD1-CB 4.28Å; Y212-K274 HydrophobicContact CE1-CB 3.84Å; Y212-K288 WeakPolarHBondContact OH-CD 3.33Å; Y212-K288 WeakPolarHBondContact OH-CE 3.41Å
213E97.6Very high97Very high7 Ų738.4 Ų38.43%0.03320%0.195CC..EExtended strand (participates in β ladder)trans-85.1144.2166.959.8170.7170.400109.8R215 T227 R228 I230 L269 E270 Y271E213-R215 IonicContact OE1-CZ 3.4Å; E213-R215 VanDerWaalsContact OE1-CZ 3.31Å; E213-R215 IonicContact OE1-NE 3.58Å; E213-R215 PolarHBondContact OE1-NE 2.87Å; E213-R215 IonicContact OE1-NH2 3.6Å; E213-R215 PolarHBondContact OE1-NH2 2.81Å; E213-R215 IonicContact OE2-CZ 3.51Å; E213-R215 VanDerWaalsContact OE2-CZ 3.3Å; E213-R215 IonicContact OE2-NE 3.91Å; E213-R215 PolarHBondContact OE2-NE 2.85Å; E213-R215 IonicContact OE2-NH2 2.73Å; E213-R215 PolarHBondContact OE2-NH2 2.86Å; E213-T227 VanDerWaalsContact O-CA 3.25Å; E213-T227 WeakPolarHBondContact O-CA 3.46Å; E213-R228 HydrophobicContact CG-CB 3.65Å; E213-R228 WeakPolarHBondContact CG-O 3.43Å; E213-R228 PolarHBondContact N-O 2.85Å; E213-R228 PolarHBondContact O-N 2.71Å; E213-R228 WeakPolarHBondContact OE1-CB 3.39Å; E213-R228 WeakPolarHBondContact OE1-CD 3.25Å; E213-R228 IonicContact OE1-NH1 3.84Å; E213-I230 HydrophobicContact CB-CD1 4.06Å; E213-I230 HydrophobicContact CG-CD1 4.47Å; E213-L269 HydrophobicContact CB-CD1 4.28Å; E213-E270 CarbonylContact C-O 3.6Å; E213-Y271 HydrophobicContact CB-CD1 4.01Å; E213-Y271 HydrophobicContact CB-CE1 3.7Å
214K97.8Very high97.2Very high24 Ų2438.2 Ų38.210%0.10420%0.196CC..EExtended strand (participates in β ladder)trans-129110.6176.4179.7-170.3168.7-143.80108.6Y212 V225 T227 E270Y212-K214 HydrophobicContact CD2-CB 4.41Å; Y212-K214 HydrophobicContact CE2-CB 4.09Å; K214-V225 HydrophobicContact CG-CG1 3.91Å; K214-T227 HydrophobicContact CB-CG2 4.24Å; K214-T227 HydrophobicContact CG-CG2 4.13Å; K214-E270 HydrophobicContact CB-CB 4.38Å; K214-E270 WeakPolarHBondContact CE-OE2 3.43Å; K214-E270 PolarHBondContact N-O 2.87Å; K214-E270 IonicContact NZ-OE1 2.87Å; K214-E270 IonicContact NZ-OE2 2.86Å; K214-E270 PolarHBondContact NZ-OE2 3.32Å; K214-E270 PolarHBondContact O-N 3.22Å
215R98Very high97.3Very high53 Ų5339 Ų3920%0.220%0.199CC..EExtended strand (participates in β ladder)trans-96.6118.2176.1-61.7168-173.6-173.8-3.2108.4F113 E213 F217 V225 Q226 K268 L269F113-R215 HydrophobicContact CZ-CG 4.46Å; E213-R215 IonicContact OE1-CZ 3.4Å; E213-R215 VanDerWaalsContact OE1-CZ 3.31Å; E213-R215 IonicContact OE1-NE 3.58Å; E213-R215 PolarHBondContact OE1-NE 2.87Å; E213-R215 IonicContact OE1-NH2 3.6Å; E213-R215 PolarHBondContact OE1-NH2 2.81Å; E213-R215 IonicContact OE2-CZ 3.51Å; E213-R215 VanDerWaalsContact OE2-CZ 3.3Å; E213-R215 IonicContact OE2-NE 3.91Å; E213-R215 PolarHBondContact OE2-NE 2.85Å; E213-R215 IonicContact OE2-NH2 2.73Å; E213-R215 PolarHBondContact OE2-NH2 2.86Å; R215-F217 HydrophobicContact CB-CE2 3.82Å; R215-F217 HydrophobicContact CB-CZ 3.82Å; R215-V225 CarbonylContact O-C 3.49Å; R215-V225 WeakPolarHBondContact O-CA 3.5Å; R215-Q226 HydrophobicContact CB-CB 4.35Å; R215-Q226 PolarHBondContact N-O 2.83Å; R215-Q226 PolarHBondContact O-N 3Å; R215-K268 CarbonylContact C-O 3.57Å; R215-K268 WeakPolarHBondContact CA-O 3.33Å; R215-L269 HydrophobicContact CG-CD1 3.73Å
216S98Very high97.4Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-112.1128175.5-55.70000109.5R223 K224 L267 K268S216-R223 PolarHBondContact OG-NH2 2.96Å; S216-K224 WeakPolarHBondContact CA-O 3.36Å; S216-L267 CarbonylContact O-C 3.58Å; S216-L267 WeakPolarHBondContact O-CA 3.44Å; S216-K268 PolarHBondContact N-O 3.49Å; S216-K268 PolarHBondContact O-N 2.63Å
217F98.4Very high97.4Very high0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-117.5138.8176.9-49.9-82.5000108.9V52 W54 S115 V117 R215 R223 K224 Q226 I266 L267V52-F217 HydrophobicContact CB-CB 4.4Å; V52-F217 HydrophobicContact CG1-CB 4.22Å; V52-F217 HydrophobicContact CG1-CD1 3.81Å; V52-F217 HydrophobicContact CG1-CG 4.5Å; W54-F217 HydrophobicContact CE3-CB 4.4Å; W54-F217 HydrophobicContact CZ3-CB 4Å; S115-F217 WeakPolarHBondContact OG-CE1 3.42Å; S115-F217 WeakPolarHBondContact OG-CZ 3.35Å; V117-F217 HydrophobicContact CB-CD1 4.23Å; V117-F217 HydrophobicContact CB-CD2 3.9Å; V117-F217 HydrophobicContact CB-CE1 4.09Å; V117-F217 HydrophobicContact CB-CE2 3.76Å; V117-F217 HydrophobicContact CB-CG 4.12Å; V117-F217 HydrophobicContact CB-CZ 3.85Å; V117-F217 HydrophobicContact CG1-CB 3.88Å; V117-F217 HydrophobicContact CG1-CD1 3.84Å; V117-F217 HydrophobicContact CG1-CD2 3.53Å; V117-F217 HydrophobicContact CG1-CE1 4.22Å; V117-F217 HydrophobicContact CG1-CE2 3.96Å; V117-F217 HydrophobicContact CG1-CG 3.46Å; V117-F217 VanDerWaalsContact CG1-CG 3.46Å; V117-F217 HydrophobicContact CG1-CZ 4.27Å; V117-F217 HydrophobicContact CG2-CE2 4.31Å; R215-F217 HydrophobicContact CB-CE2 3.82Å; R215-F217 HydrophobicContact CB-CZ 3.82Å; F217-R223 CarbonylContact O-C 3.59Å; F217-R223 VanDerWaalsContact O-CA 3.3Å; F217-R223 WeakPolarHBondContact O-CA 3.34Å; F217-K224 HydrophobicContact CB-CB 4.42Å; F217-K224 HydrophobicContact CD2-CB 4.43Å; F217-K224 PolarHBondContact N-O 2.83Å; F217-K224 PolarHBondContact O-N 3.09Å; F217-Q226 HydrophobicContact CE2-CG 4.35Å; F217-I266 CarbonylContact C-O 3.51Å; F217-I266 WeakPolarHBondContact CA-O 3.35Å; F217-L267 HydrophobicContact CD1-CD1 3.97Å; F217-L267 HydrophobicContact CD1-CG 3.97Å; F217-L267 HydrophobicContact CE1-CD1 3.73Å; F217-L267 HydrophobicContact CE1-CG 3.96Å
218F98.2Very high97.4Very high55 Ų5551.1 Ų51.124%0.24126%0.255CS..EExtended strand (participates in β ladder)trans-128.9127.6-174.8-52.6-93.1000110.1V52 Q222 R223 I266 K268V52-F218 WeakPolarHBondContact CG2-O 3.47Å; F218-Q222 WeakPolarHBondContact CA-O 3.28Å; F218-R223 HydrophobicContact CD1-CB 4.05Å; F218-R223 HydrophobicContact CD1-CG 3.87Å; F218-R223 HydrophobicContact CE1-CB 4.18Å; F218-R223 HydrophobicContact CE1-CG 3.6Å; F218-R223 HydrophobicContact CZ-CG 4.26Å; F218-I266 PolarHBondContact N-O 2.97Å; F218-K268 HydrophobicContact CE2-CD 4.05Å; F218-K268 HydrophobicContact CE2-CG 4.04Å; F218-K268 HydrophobicContact CZ-CD 4.37Å
219A97.9Very high97.4Very high4 Ų451.2 Ų51.23%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-156.4135.4177.300000109.9V52 W54 W67 G221 Q222V52-A219 HydrophobicContact CG2-CB 4.05Å; W54-A219 HydrophobicContact CH2-CB 3.49Å; W54-A219 VanDerWaalsContact CH2-CB 3.49Å; W54-A219 HydrophobicContact CZ2-CB 4.48Å; W54-A219 HydrophobicContact CZ3-CB 3.53Å; W67-A219 VanDerWaalsContact C-CB 3.44Å; W67-A219 WeakPolarHBondContact O-CB 3.49Å; A219-G221 PolarHBondContact O-N 3.02Å; A219-G221 VanDerWaalsContact O-N 3.14Å; A219-Q222 PolarHBondContact N-O 3.3Å; A219-Q222 WeakPolarHBondContact O-CA 3.45Å; A219-Q222 PolarHBondContact O-N 2.83Å
220Q96.5Very high97.4Very high99 Ų9953.2 Ų53.246%0.46327%0.271SS..THydrogen-bonded Turntrans50.841.4172.6-59165.4-18.300113.2Y66 Q222Y66-Q220 HydrophobicContact CD1-CB 4.29Å; Q220-Q222 PolarHBondContact O-N 2.87Å
221G95.1Very high97.3Very high84 Ų8455 Ų5587%0.86628%0.281SS*.THydrogen-bonded Turntrans77.2-8.7-178.100000115.4A219A219-G221 PolarHBondContact O-N 3.02Å; A219-G221 VanDerWaalsContact O-N 3.14Å
222Q96.5Very high97.2Very high95 Ų9561.4 Ų61.444%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-96.2153.8178.5-62.6-55.4-31.700112.7W54 Y66 F218 A219 Q220W54-Q222 HydrophobicContact CZ2-CB 4.1Å; Y66-Q222 HydrophobicContact CD1-CB 3.98Å; Y66-Q222 HydrophobicContact CD1-CG 3.9Å; Y66-Q222 HydrophobicContact CE1-CB 3.91Å; Y66-Q222 HydrophobicContact CE1-CG 3.31Å; F218-Q222 WeakPolarHBondContact CA-O 3.28Å; A219-Q222 PolarHBondContact N-O 3.3Å; A219-Q222 WeakPolarHBondContact O-CA 3.45Å; A219-Q222 PolarHBondContact O-N 2.83Å; Q220-Q222 PolarHBondContact O-N 2.87Å
223R96.9Very high97.1Very high118 Ų11863.4 Ų63.445%0.44532%0.319SS..EExtended strand (participates in β ladder)trans-127.1121.4179.4-177.5-169.8-177.9165.58.7111.2S216 F217 F218 V225S216-R223 PolarHBondContact OG-NH2 2.96Å; F217-R223 CarbonylContact O-C 3.59Å; F217-R223 VanDerWaalsContact O-CA 3.3Å; F217-R223 WeakPolarHBondContact O-CA 3.34Å; F218-R223 HydrophobicContact CD1-CB 4.05Å; F218-R223 HydrophobicContact CD1-CG 3.87Å; F218-R223 HydrophobicContact CE1-CB 4.18Å; F218-R223 HydrophobicContact CE1-CG 3.6Å; F218-R223 HydrophobicContact CZ-CG 4.26Å; R223-V225 HydrophobicContact CG-CG2 3.94Å
224K96.9Very high97Very high57 Ų5769.7 Ų69.725%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-99.7128.5167.3-171.1155-1721490110.4W54 V117 S216 F217W54-K224 HydrophobicContact CB-CD 3.89Å; W54-K224 VanDerWaalsContact CD1-CD 3.43Å; W54-K224 HydrophobicContact CD2-CB 4.04Å; W54-K224 HydrophobicContact CD2-CD 3.9Å; W54-K224 HydrophobicContact CE3-CB 4.47Å; W54-K224 HydrophobicContact CG-CB 4.48Å; W54-K224 HydrophobicContact CG-CD 3.45Å; W54-K224 VanDerWaalsContact CG-CD 3.45Å; W54-K224 HydrophobicContact CH2-CB 4.4Å; W54-K224 HydrophobicContact CZ2-CB 3.98Å; V117-K224 HydrophobicContact CG2-CD 4.4Å; S216-K224 WeakPolarHBondContact CA-O 3.36Å; F217-K224 HydrophobicContact CB-CB 4.42Å; F217-K224 HydrophobicContact CD2-CB 4.43Å; F217-K224 PolarHBondContact N-O 2.83Å; F217-K224 PolarHBondContact O-N 3.09Å
225V97.4Very high96.8Very high67 Ų6769.6 Ų69.641%0.40635%0.348SS..EExtended strand (participates in β ladder)trans-116.4130176.9-178.30000109.4K214 R215 R223 T227K214-V225 HydrophobicContact CG-CG1 3.91Å; R215-V225 CarbonylContact O-C 3.49Å; R215-V225 WeakPolarHBondContact O-CA 3.5Å; R223-V225 HydrophobicContact CG-CG2 3.94Å; V225-T227 HydrophobicContact CG1-CG2 4.29Å
226Q97.1Very high96.6Very high58 Ų5873.4 Ų73.427%0.27137%0.373SS..EExtended strand (participates in β ladder)trans-120.7134170-68.3177.8-15.500108.6R215 F217R215-Q226 HydrophobicContact CB-CB 4.35Å; R215-Q226 PolarHBondContact N-O 2.83Å; R215-Q226 PolarHBondContact O-N 3Å; F217-Q226 HydrophobicContact CE2-CG 4.35Å
227T96.9Very high96.5Very high96 Ų9676 Ų7659%0.58939%0.388SS*.EExtended strand (participates in β ladder)trans-121.6139176.151.80000110Y212 E213 K214 V225Y212-T227 HydrophobicContact CD2-CG2 4.04Å; Y212-T227 HydrophobicContact CE2-CG2 3.99Å; E213-T227 VanDerWaalsContact O-CA 3.25Å; E213-T227 WeakPolarHBondContact O-CA 3.46Å; K214-T227 HydrophobicContact CB-CG2 4.24Å; K214-T227 HydrophobicContact CG-CG2 4.13Å; V225-T227 HydrophobicContact CG1-CG2 4.29Å
228R96.3Very high96.3Very high163 Ų16376 Ų7662%0.61539%0.388SS*.EExtended strand (participates in β ladder)trans-129.6125.6171.7176.6-161.8179.1-166.7-3.3108.5Y212 E213Y212-R228 CarbonylContact C-O 3.47Å; Y212-R228 WeakPolarHBondContact CA-O 3.47Å; Y212-R228 WeakPolarHBondContact CB-O 3.44Å; E213-R228 HydrophobicContact CG-CB 3.65Å; E213-R228 WeakPolarHBondContact CG-O 3.43Å; E213-R228 PolarHBondContact N-O 2.85Å; E213-R228 PolarHBondContact O-N 2.71Å; E213-R228 WeakPolarHBondContact OE1-CB 3.39Å; E213-R228 WeakPolarHBondContact OE1-CD 3.25Å; E213-R228 IonicContact OE1-NH1 3.84Å
229T97.8Very high96.2Very high56 Ų5678.5 Ų78.534%0.34440%0.401SS..EExtended strand (participates in β ladder)trans-69.9131.8172-49.90000109.7E210 K232E210-T229 HydrophobicContact CG-CG2 3.75Å; E210-T229 WeakPolarHBondContact OE1-CG2 3.36Å; E210-T229 PolarHBondContact OE1-OG1 3.01Å; T229-K232 HydrophobicContact CG2-CD 4.21Å; T229-K232 HydrophobicContact CG2-CG 3.6Å
230I97.4Very high96Very high44 Ų4479.4 Ų79.423%0.22641%0.41CS..EExtended strand (participates in β ladder)trans-97.8-47.9179.3-63.5160.1000109.1L211 E213 P254 L257 Y271L211-I230 HydrophobicContact CD2-CB 4.48Å; L211-I230 HydrophobicContact CD2-CG2 4.21Å; L211-I230 HydrophobicContact CG-CB 4.29Å; L211-I230 HydrophobicContact CG-CD1 4.19Å; L211-I230 WeakPolarHBondContact O-CB 3.36Å; L211-I230 PolarHBondContact O-N 3Å; E213-I230 HydrophobicContact CB-CD1 4.06Å; E213-I230 HydrophobicContact CG-CD1 4.47Å; I230-P254 HydrophobicContact CG2-CG 3.86Å; I230-L257 HydrophobicContact CD1-CD1 4.04Å; I230-L257 HydrophobicContact CD1-CD2 3.9Å; I230-L257 HydrophobicContact CG1-CD2 4.21Å; I230-L257 HydrophobicContact CG2-CD1 4.44Å; I230-L257 HydrophobicContact CG2-CD2 4.02Å; I230-Y271 HydrophobicContact CD1-CD1 3.55Å; I230-Y271 HydrophobicContact CD1-CE1 3.54Å
231L96.1Very high95.8Very high58 Ų5884.3 Ų84.330%0.30443%0.425SS..EExtended strand (participates in β ladder)trans-143.8143.5-176.3-176.176000109.9E210 L211 E233 I251E210-L231 WeakPolarHBondContact CA-O 3.4Å; L211-L231 HydrophobicContact CB-CB 4.16Å; L211-L231 PolarHBondContact N-O 2.85Å; L211-L231 PolarHBondContact O-N 2.86Å; L211-L231 VanDerWaalsContact O-N 3.16Å; L231-E233 HydrophobicContact CD1-CG 4.47Å; L231-E233 HydrophobicContact CD2-CG 4.01Å; L231-E233 VanDerWaalsContact CD2-OE1 3.27Å; L231-E233 WeakPolarHBondContact CD2-OE1 3.49Å; L231-E233 HydrophobicContact CG-CG 4.04Å; L231-I251 HydrophobicContact CD2-CG2 3.93Å
232K96.9Very high95.6Very high136 Ų13683.1 Ų83.159%0.59140%0.403SS*.EExtended strand (participates in β ladder)trans-126.7128.7168.5-65.9-173.3-178.4-1800109.7F209 E210 T229F209-K232 CarbonylContact O-C 3.53Å; F209-K232 VanDerWaalsContact O-CA 3.32Å; F209-K232 WeakPolarHBondContact O-CA 3.23Å; E210-K232 HydrophobicContact CG-CG 4.41Å; E210-K232 WeakPolarHBondContact OE1-CE 3.36Å; T229-K232 HydrophobicContact CG2-CD 4.21Å; T229-K232 HydrophobicContact CG2-CG 3.6Å
233E95.6Very high95.4Very high57 Ų5779.8 Ų79.827%0.26639%0.394SS..EExtended strand (participates in β ladder)trans-129.9161175.1-63.5-162.4-127.100110.9K208 F209 L231 K249K208-E233 WeakPolarHBondContact CA-O 3.48Å; F209-E233 HydrophobicContact CB-CB 4.27Å; F209-E233 PolarHBondContact N-O 2.82Å; F209-E233 PolarHBondContact O-N 3.02Å; L231-E233 HydrophobicContact CD1-CG 4.47Å; L231-E233 HydrophobicContact CD2-CG 4.01Å; L231-E233 VanDerWaalsContact CD2-OE1 3.27Å; L231-E233 WeakPolarHBondContact CD2-OE1 3.49Å; L231-E233 HydrophobicContact CG-CG 4.04Å; E233-K249 WeakPolarHBondContact OE2-CE 3.3Å; E233-K249 IonicContact OE2-NZ 2.83Å; E233-K249 PolarHBondContact OE2-NZ 2.78Å
234K95Very high95.3Very high139 Ų13980.3 Ų80.360%0.60440%0.402SS*.EExtended strand (participates in β ladder)trans-132.9155.6176.764.7-166-178-1730109.2P207 K208P207-K234 WeakPolarHBondContact O-CA 3.19Å; K208-K234 HydrophobicContact CG-CB 4.43Å
235S94.5Very high95.2Very high23 Ų2381.4 Ų81.416%0.16141%0.407CS..  trans-115.3177.4169.2-64.80000110.5P207 F209P207-S235 PolarHBondContact O-N 2.86Å; F209-S235 WeakPolarHBondContact CE2-OG 3.45Å
236D93.7Very high95.1Very high133 Ų13385 Ų8571%0.71142%0.421SS*.  trans-61.4153.2176.8-60.4-34.6000111.8P207P207-D236 VanDerWaalsContact CD-O 3.28Å; P207-D236 WeakPolarHBondContact CD-O 3.39Å
237V95.6Very high95Very high53 Ų5383.4 Ų83.432%0.32141%0.414SS..  trans-64.6143.6177.7-178.70000109.3K206 E239 K245K206-V237 HydrophobicContact CD-CG2 4.33Å; K206-V237 HydrophobicContact CG-CG2 4.44Å; V237-E239 WeakPolarHBondContact CG1-OE1 3.43Å; V237-K245 PolarHBondContact O-NZ 2.86Å; V237-K245 VanDerWaalsContact O-NZ 3.16Å
238V95.1Very high95Very high0 Ų082.7 Ų82.70%041%0.409CS..BIsolated β-bridgetrans-107.2110.1169-174.80000106.6I197 N199 S204 V205 P207 S242 K245I197-V238 HydrophobicContact CD1-CG2 3.9Å; I197-V238 HydrophobicContact CG2-CG1 4.24Å; N199-V238 HydrophobicContact CB-CG1 4.11Å; N199-V238 PolarHBondContact ND2-O 2.87Å; S204-V238 CarbonylContact C-O 3.58Å; S204-V238 VanDerWaalsContact CA-O 3.3Å; S204-V238 WeakPolarHBondContact CA-O 3.38Å; V205-V238 HydrophobicContact CG2-CB 3.79Å; V205-V238 HydrophobicContact CG2-CG1 4.45Å; V205-V238 HydrophobicContact CG2-CG2 4.43Å; V205-V238 PolarHBondContact N-O 2.89Å; V205-V238 PolarHBondContact O-N 2.78Å; P207-V238 HydrophobicContact CG-CG2 4.23Å; V238-S242 WeakPolarHBondContact CG1-OG 3.28Å; V238-K245 HydrophobicContact CB-CD 4.42Å; V238-K245 HydrophobicContact CG1-CB 4.2Å; V238-K245 HydrophobicContact CG1-CD 4.03Å; V238-K245 HydrophobicContact CG2-CD 3.94Å
239E95.5Very high95Very high108 Ų10876.7 Ų76.751%0.50539%0.388SS..  trans-63.7154.6-175.1-63-51.7140.500112.2N199 S204 V237 S242N199-E239 PolarHBondContact ND2-O 2.83Å; S204-E239 WeakPolarHBondContact CB-OE2 3.47Å; S204-E239 PolarHBondContact OG-OE2 2.8Å; V237-E239 WeakPolarHBondContact CG1-OE1 3.43Å; E239-S242 WeakPolarHBondContact O-CB 3.33Å; E239-S242 PolarHBondContact O-N 2.85Å; E239-S242 PolarHBondContact O-OG 2.95Å
240G93.3Very high94.9Very high23 Ų2378.3 Ų78.324%0.23739%0.393CS..THydrogen-bonded Turntrans-58.2144.6171.800000111S201 S242S201-G240 CarbonylContact O-C 3.41Å; S201-G240 VanDerWaalsContact O-CA 3.25Å; S201-G240 WeakPolarHBondContact O-CA 3.47Å; G240-S242 PolarHBondContact O-N 2.86Å; G240-S242 VanDerWaalsContact O-N 3.09Å
241R92.4Very high94.8Very high202 Ų20276.3 Ų76.376%0.76238%0.383SS*.THydrogen-bonded Turntrans56.424.4177.6-53.3178175.9-178.4-1.8114.1N199 S201 G243N199-R241 WeakPolarHBondContact O-CA 3.3Å; N199-R241 PolarHBondContact O-N 2.93Å; S201-R241 PolarHBondContact O-N 2.84Å; R241-G243 VanDerWaalsContact C-N 3.3Å
242S91.8Very high94.8Very high59 Ų5976.5 Ų76.541%0.41339%0.393SS..  trans-83-7177.557.30000113.4N199 V238 E239 G240N199-S242 PolarHBondContact O-N 2.92Å; V238-S242 WeakPolarHBondContact CG1-OG 3.28Å; E239-S242 WeakPolarHBondContact O-CB 3.33Å; E239-S242 PolarHBondContact O-N 2.85Å; E239-S242 PolarHBondContact O-OG 2.95Å; G240-S242 PolarHBondContact O-N 2.86Å; G240-S242 VanDerWaalsContact O-N 3.09Å
243G91.6Very high94.8Very high25 Ų2570.1 Ų70.126%0.25837%0.365SS..EExtended strand (participates in β ladder)trans71.1-138.8-178.500000111.9N198 N199 R241N198-G243 WeakPolarHBondContact CA-O 3.41Å; N199-G243 PolarHBondContact N-O 3.33Å; N199-G243 PolarHBondContact O-N 2.76Å; R241-G243 VanDerWaalsContact C-N 3.3Å
244Q93.9Very high94.7Very high129 Ų12968.7 Ų68.760%0.60336%0.361SS*.EExtended strand (participates in β ladder)trans-84.7126.5-176.6-174179.3-9.100111.8Q196 I197Q196-Q244 HydrophobicContact CG-CG 3.98Å; I197-Q244 CarbonylContact O-C 3.48Å; I197-Q244 WeakPolarHBondContact O-CA 3.2Å
245K95.4Very high94.6Very high81 Ų8170.4 Ų70.435%0.35236%0.364SS..EExtended strand (participates in β ladder)trans-128.1131.5173.4-172.7169.5176.1179.10110I197 V237 V238I197-K245 PolarHBondContact N-O 3.16Å; I197-K245 PolarHBondContact O-N 3.03Å; V237-K245 PolarHBondContact O-NZ 2.86Å; V237-K245 VanDerWaalsContact O-NZ 3.16Å; V238-K245 HydrophobicContact CB-CD 4.42Å; V238-K245 HydrophobicContact CG1-CB 4.2Å; V238-K245 HydrophobicContact CG1-CD 4.03Å; V238-K245 HydrophobicContact CG2-CD 3.94Å
246M95.6Very high94.4Very high142 Ų14276.6 Ų76.670%0.739%0.39SS*.EExtended strand (participates in β ladder)trans-102.3137.4173.7-171.4171.868.400109.7I195I195-M246 WeakPolarHBondContact O-CA 3.28Å
247L95Very high94.4Very high25 Ų2571.3 Ų71.313%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-140.9144.6175.766.398.6000110.4I195 I197 P207 F209I195-L247 HydrophobicContact CB-CD1 3.77Å; I195-L247 HydrophobicContact CB-CD2 4.42Å; I195-L247 HydrophobicContact CB-CG 3.85Å; I195-L247 HydrophobicContact CD1-CD1 3.45Å; I195-L247 VanDerWaalsContact CD1-CD1 3.45Å; I195-L247 HydrophobicContact CD1-CG 4.4Å; I195-L247 HydrophobicContact CG1-CD1 4.08Å; I195-L247 HydrophobicContact CG2-CG 4.49Å; I195-L247 PolarHBondContact N-O 3.45Å; I195-L247 PolarHBondContact O-N 2.98Å; I197-L247 HydrophobicContact CD1-CD2 3.64Å; I197-L247 HydrophobicContact CG1-CD2 4.48Å; P207-L247 HydrophobicContact CB-CD2 4.47Å; P207-L247 HydrophobicContact CG-CD2 3.89Å; F209-L247 HydrophobicContact CZ-CD1 4.04Å
248T96.3Very high94.3Very high80 Ų8071.4 Ų71.449%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-116.1130.8175.3-60.80000109.1V193 N194V193-T248 CarbonylContact O-C 3.6Å; V193-T248 WeakPolarHBondContact O-CA 3.27Å; N194-T248 VanDerWaalsContact OD1-CG2 3.32Å; N194-T248 WeakPolarHBondContact OD1-CG2 3.28Å; N194-T248 PolarHBondContact OD1-OG1 2.85Å
249K96.3Very high94.3Very high38 Ų3872.5 Ų72.517%0.16537%0.369CS..EExtended strand (participates in β ladder)trans-116.8131.6176.2-169.267.5-179.7174.80109.9V193 I195 F209 E233 I251V193-K249 PolarHBondContact N-O 2.86Å; V193-K249 PolarHBondContact O-N 2.88Å; I195-K249 HydrophobicContact CD1-CB 4.24Å; F209-K249 HydrophobicContact CD1-CB 4.5Å; F209-K249 HydrophobicContact CD1-CG 4.32Å; F209-K249 HydrophobicContact CD2-CD 4.44Å; F209-K249 HydrophobicContact CD2-CG 4.09Å; F209-K249 HydrophobicContact CE1-CB 4.12Å; F209-K249 HydrophobicContact CE1-CG 4.37Å; F209-K249 HydrophobicContact CE2-CB 4.36Å; F209-K249 HydrophobicContact CE2-CD 4.41Å; F209-K249 HydrophobicContact CE2-CG 4.14Å; F209-K249 HydrophobicContact CG-CG 4.22Å; F209-K249 HydrophobicContact CZ-CB 4.07Å; F209-K249 HydrophobicContact CZ-CG 4.29Å; E233-K249 WeakPolarHBondContact OE2-CE 3.3Å; E233-K249 IonicContact OE2-NZ 2.83Å; E233-K249 PolarHBondContact OE2-NZ 2.78Å; K249-I251 HydrophobicContact CG-CG1 4.21Å
250I96.9Very high94.3Very high90 Ų9068.2 Ų68.246%0.46235%0.352SS..EExtended strand (participates in β ladder)trans-101.3126.4174.6-52.5176.9000107.6A190 M191 Y192A190-I250 HydrophobicContact CB-CG2 3.93Å; M191-I250 CarbonylContact O-C 3.59Å; M191-I250 WeakPolarHBondContact O-CA 3.35Å; Y192-I250 HydrophobicContact CD1-CD1 4.14Å; Y192-I250 HydrophobicContact CD1-CG1 3.78Å; Y192-I250 HydrophobicContact CE1-CD1 3.63Å; Y192-I250 HydrophobicContact CE1-CG1 3.77Å; Y192-I250 HydrophobicContact CE1-CG2 4.44Å
251I95.6Very high94.5Very high2 Ų267.1 Ų67.11%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-121.8113.5178.4-60.7177.7000107.6M191 V193 F209 L211 L231 K249 L273M191-I251 HydrophobicContact CB-CB 4.43Å; M191-I251 WeakPolarHBondContact CB-O 3.34Å; M191-I251 PolarHBondContact N-O 2.81Å; M191-I251 PolarHBondContact O-N 2.87Å; V193-I251 HydrophobicContact CG2-CD1 4.15Å; F209-I251 HydrophobicContact CB-CD1 4.24Å; F209-I251 HydrophobicContact CD1-CD1 4.4Å; L211-I251 HydrophobicContact CD2-CG2 4.47Å; L231-I251 HydrophobicContact CD2-CG2 3.93Å; K249-I251 HydrophobicContact CG-CG1 4.21Å; I251-L273 HydrophobicContact CD1-CD1 3.35Å; I251-L273 HydrophobicContact CD1-CD2 3.7Å; I251-L273 HydrophobicContact CD1-CG 4.17Å
252A95.3Very high94.5Very high62 Ų6261 Ų6151%0.51232%0.322SS..EExtended strand (participates in β ladder)trans-76.8125.8174.600000109.9P254A252-P254 VanDerWaalsContact O-CD 3.25Å; A252-P254 WeakPolarHBondContact O-CD 3.33Å
253I96Very high94.5Very high2 Ų260.6 Ų60.61%0.0132%0.315CS..PPolyproline II helixtrans-72117.4173.7-57.6-55.9000108.3Y185 G188 E189 L211 L257 I293Y185-I253 HydrophobicContact CG-CG1 4.33Å; G188-I253 WeakPolarHBondContact CA-O 3.22Å; G188-I253 PolarHBondContact N-O 2.98Å; E189-I253 WeakPolarHBondContact O-CB 3.27Å; E189-I253 WeakPolarHBondContact O-CG1 2.97Å; E189-I253 PolarHBondContact O-N 2.67Å; L211-I253 HydrophobicContact CD2-CD1 4.36Å; I253-L257 HydrophobicContact CG2-CD1 4.2Å; I253-I293 HydrophobicContact CG2-CD1 4.07Å; I253-I293 HydrophobicContact CG2-CG1 4.44Å
254P94.9Very high94.7Very high26 Ų2659.6 Ų59.617%0.16930%0.304CS..PPolyproline II helixtrans-61.7147.7-178.4-19.329.8000112.5L187 I230 A252 E256 L257L187-P254 VanDerWaalsContact CD2-O 3.29Å; L187-P254 WeakPolarHBondContact CD2-O 3.2Å; I230-P254 HydrophobicContact CG2-CG 3.86Å; A252-P254 VanDerWaalsContact O-CD 3.25Å; A252-P254 WeakPolarHBondContact O-CD 3.33Å; P254-E256 VanDerWaalsContact CB-CD 3.42Å; P254-E256 HydrophobicContact CB-CG 4.33Å; P254-E256 WeakPolarHBondContact CB-OE1 3.25Å; P254-E256 VanDerWaalsContact CB-OE2 3.24Å; P254-E256 WeakPolarHBondContact CB-OE2 3.49Å; P254-L257 HydrophobicContact CB-CD1 4.46Å; P254-L257 HydrophobicContact CB-CG 4.08Å; P254-L257 HydrophobicContact CG-CD1 4.25Å; P254-L257 HydrophobicContact CG-CG 4.34Å
255R92.2Very high94.8Very high176 Ų17656.8 Ų56.866%0.66430%0.299SS*.THydrogen-bonded Turntrans-79.4-22-173.8-68.7-179.6179.6-93.41.7113.2L257R255-L257 VanDerWaalsContact C-N 3.25Å; R255-L257 PolarHBondContact O-N 2.81Å
256E90.8Very high94.9Very high153 Ų15353.5 Ų53.572%0.71529%0.285SS*.THydrogen-bonded Turntrans-80.7-2.6-179.864.6-89.7-151.800113.5P254P254-E256 VanDerWaalsContact CB-CD 3.42Å; P254-E256 HydrophobicContact CB-CG 4.33Å; P254-E256 WeakPolarHBondContact CB-OE1 3.25Å; P254-E256 VanDerWaalsContact CB-OE2 3.24Å; P254-E256 WeakPolarHBondContact CB-OE2 3.49Å
257L93.7Very high95Very high22 Ų2246.8 Ų46.812%0.11525%0.252CS..PPolyproline II helixtrans-71.8148.7178.6-61.4-173.1000111.4L187 I230 I253 P254 R255 Y271 I293L187-L257 HydrophobicContact CD2-CB 3.73Å; L187-L257 WeakPolarHBondContact CD2-O 3.43Å; I230-L257 HydrophobicContact CD1-CD1 4.04Å; I230-L257 HydrophobicContact CD1-CD2 3.9Å; I230-L257 HydrophobicContact CG1-CD2 4.21Å; I230-L257 HydrophobicContact CG2-CD1 4.44Å; I230-L257 HydrophobicContact CG2-CD2 4.02Å; I253-L257 HydrophobicContact CG2-CD1 4.2Å; P254-L257 HydrophobicContact CB-CD1 4.46Å; P254-L257 HydrophobicContact CB-CG 4.08Å; P254-L257 HydrophobicContact CG-CD1 4.25Å; P254-L257 HydrophobicContact CG-CG 4.34Å; R255-L257 VanDerWaalsContact C-N 3.25Å; R255-L257 PolarHBondContact O-N 2.81Å; L257-Y271 HydrophobicContact CB-CE1 4.4Å; L257-Y271 HydrophobicContact CD1-CD1 4.21Å; L257-Y271 HydrophobicContact CD1-CE1 3.87Å; L257-Y271 HydrophobicContact CD2-CE1 4.21Å; L257-Y271 HydrophobicContact CG-CE1 4.39Å; L257-I293 HydrophobicContact CB-CD1 3.78Å; L257-I293 HydrophobicContact CD1-CD1 3.39Å; L257-I293 HydrophobicContact CG-CD1 4.24Å
258T93.5Very high95.1Very high55 Ų5549.3 Ų49.334%0.33726%0.262SS..PPolyproline II helixtrans-81.9141.8172.6-53.70000109.2F113 L269 Y271F113-T258 HydrophobicContact CD2-CG2 4.4Å; T258-L269 HydrophobicContact CG2-CD2 3.97Å; T258-Y271 PolarHBondContact N-OH 2.8Å; T258-Y271 VanDerWaalsContact O-CE2 3.28Å; T258-Y271 WeakPolarHBondContact O-CE2 3.44Å; T258-Y271 PolarHBondContact O-OH 2.88Å
259P94.4Very high95.2Very high22 Ų2245.5 Ų45.514%0.14324%0.238CC..PPolyproline II helixtrans-55148.1171.9-27.436.6000112.3P295P259-P295 HydrophobicContact CB-CB 4.09Å; P259-P295 HydrophobicContact CG-CB 3.93Å
260S96.2Very high95.2Very high19 Ų1945.3 Ų45.313%0.13324%0.238CC..PPolyproline II helixtrans-60141.8178.7-71.20000111.4Y271 I293S260-Y271 WeakPolarHBondContact OG-CD2 3.42Å; S260-I293 PolarHBondContact N-O 2.9Å; S260-I293 PolarHBondContact OG-N 2.76Å
261I96Very high95.3Very high0 Ų041.2 Ų41.20%022%0.217CC..BIsolated β-bridgetrans-115.7101.5176.7-56.6174.4000107.8P110 F113 I120 C264 L267 K268 L269P110-I261 HydrophobicContact CB-CG2 3.73Å; F113-I261 HydrophobicContact CB-CD1 3.51Å; F113-I261 HydrophobicContact CD2-CD1 3.77Å; F113-I261 HydrophobicContact CG-CD1 3.69Å; I120-I261 HydrophobicContact CD1-CD1 3.99Å; I120-I261 HydrophobicContact CD1-CG2 3.99Å; I261-C264 HydrophobicContact CG2-CB 4.06Å; I261-L267 HydrophobicContact CD1-CD2 4.31Å; I261-L267 HydrophobicContact CG2-CD2 4.29Å; I261-K268 VanDerWaalsContact O-CA 3.32Å; I261-K268 WeakPolarHBondContact O-CA 3.34Å; I261-L269 HydrophobicContact CB-CB 3.94Å; I261-L269 HydrophobicContact CD1-CB 4.32Å; I261-L269 HydrophobicContact CD1-CD2 4.45Å; I261-L269 HydrophobicContact CG1-CB 4.12Å; I261-L269 HydrophobicContact CG1-CD2 4.48Å; I261-L269 PolarHBondContact N-O 3.4Å; I261-L269 PolarHBondContact O-N 2.9Å
262L93.6Very high95.4Very high73 Ų7344.1 Ų44.138%0.38223%0.228SC..  trans-114-15.3-178.4-55.3-178.7000112.9T152 E270 V292T152-L262 HydrophobicContact CG2-CD1 4.24Å; L262-E270 HydrophobicContact CD2-CG 4.3Å; L262-V292 HydrophobicContact CD1-CG1 4.34Å; L262-V292 HydrophobicContact CD1-CG2 3.91Å
263N92.3Very high95.5Very high51 Ų5141.1 Ų41.127%0.27320%0.203SC..SBendtrans-10031.5-17561.6-15.7000113.4M109 P110M109-N263 PolarHBondContact O-ND2 2.85Å; P110-N263 VanDerWaalsContact CA-OD1 3.23Å; P110-N263 WeakPolarHBondContact CA-OD1 3.47Å; P110-N263 VanDerWaalsContact CB-OD1 3.29Å; P110-N263 WeakPolarHBondContact CB-OD1 3.42Å
264C95.1Very high95.6Very high3 Ų343.2 Ų43.22%0.0221%0.212CC..  trans-128.7133.1171.4173.80000109E70 Y72 P110 I120 I261 L267E70-C264 PolarHBondContact OE2-SG 3.21Å; Y72-C264 PolarHBondContact OH-SG 3.14Å; P110-C264 HydrophobicContact CB-CB 4.03Å; P110-C264 HydrophobicContact CG-CB 3.99Å; I120-C264 HydrophobicContact CD1-CB 4.5Å; I261-C264 HydrophobicContact CG2-CB 4.06Å; C264-L267 VanDerWaalsContact CB-O 3.24Å; C264-L267 WeakPolarHBondContact CB-O 3.39Å; C264-L267 PolarHBondContact SG-N 2.61Å; C264-L267 VanDerWaalsContact SG-N 3.43Å
265S95.9Very high95.8Very high70 Ų7042 Ų4249%0.4920%0.204SC..SBendtrans-76.6-33.8-174.756.60000112.4E70E70-S265 PolarHBondContact OE1-OG 3.05Å; E70-S265 PolarHBondContact OE2-N 2.64Å; E70-S265 PolarHBondContact OE2-OG 2.81Å; E70-S265 VanDerWaalsContact OE2-OG 3.11Å
266I97.9Very high96Very high12 Ų1235 Ų356%0.06218%0.178CC..SBendtrans-97.8-10.3-174.465.3170.8000113.9A50 V52 S68 E70 F217 F218A50-I266 HydrophobicContact CB-CD1 3.78Å; A50-I266 HydrophobicContact CB-CG1 3.98Å; V52-I266 HydrophobicContact CG1-CB 4.47Å; V52-I266 HydrophobicContact CG1-CD1 4.22Å; V52-I266 HydrophobicContact CG1-CG1 4.22Å; V52-I266 WeakPolarHBondContact CG1-O 3.19Å; V52-I266 HydrophobicContact CG2-CB 4.32Å; V52-I266 HydrophobicContact CG2-CD1 4.29Å; S68-I266 WeakPolarHBondContact OG-CG2 3.3Å; E70-I266 HydrophobicContact CB-CD1 3.95Å; E70-I266 HydrophobicContact CB-CG1 4.12Å; F217-I266 CarbonylContact C-O 3.51Å; F217-I266 WeakPolarHBondContact CA-O 3.35Å; F218-I266 PolarHBondContact N-O 2.97Å
267L97.8Very high96.3Very high1 Ų127.7 Ų27.71%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-144.7129-177.7-173.7157.4000110.2V52 F113 I120 S216 F217 I261 C264V52-L267 HydrophobicContact CG1-CB 4.22Å; V52-L267 HydrophobicContact CG1-CD1 4.37Å; F113-L267 HydrophobicContact CD1-CD1 3.64Å; F113-L267 HydrophobicContact CD1-CD2 3.94Å; F113-L267 HydrophobicContact CD1-CG 4.43Å; F113-L267 HydrophobicContact CE1-CD1 3.93Å; F113-L267 HydrophobicContact CE1-CD2 4.17Å; I120-L267 HydrophobicContact CD1-CD2 4.12Å; S216-L267 CarbonylContact O-C 3.58Å; S216-L267 WeakPolarHBondContact O-CA 3.44Å; F217-L267 HydrophobicContact CD1-CD1 3.97Å; F217-L267 HydrophobicContact CD1-CG 3.97Å; F217-L267 HydrophobicContact CE1-CD1 3.73Å; F217-L267 HydrophobicContact CE1-CG 3.96Å; I261-L267 HydrophobicContact CD1-CD2 4.31Å; I261-L267 HydrophobicContact CG2-CD2 4.29Å; C264-L267 VanDerWaalsContact CB-O 3.24Å; C264-L267 WeakPolarHBondContact CB-O 3.39Å; C264-L267 PolarHBondContact SG-N 2.61Å; C264-L267 VanDerWaalsContact SG-N 3.43Å
268K97.4Very high96.4Very high78 Ų7829.3 Ų29.334%0.33915%0.153SC..EExtended strand (participates in β ladder)trans-127133.7172.2-61.9-177.8-179.7-173.40110.9R215 S216 F218 I261 E270R215-K268 CarbonylContact C-O 3.57Å; R215-K268 WeakPolarHBondContact CA-O 3.33Å; S216-K268 PolarHBondContact N-O 3.49Å; S216-K268 PolarHBondContact O-N 2.63Å; F218-K268 HydrophobicContact CE2-CD 4.05Å; F218-K268 HydrophobicContact CE2-CG 4.04Å; F218-K268 HydrophobicContact CZ-CD 4.37Å; I261-K268 VanDerWaalsContact O-CA 3.32Å; I261-K268 WeakPolarHBondContact O-CA 3.34Å; K268-E270 HydrophobicContact CB-CG 4.42Å
269L97.6Very high96.4Very high0 Ų026.8 Ų26.80%014%0.137CC..EExtended strand (participates in β ladder)trans-112105168.7177.764.9000107.8F113 E213 R215 T258 I261 Y271F113-L269 HydrophobicContact CD2-CD2 4.22Å; F113-L269 HydrophobicContact CE2-CD2 3.85Å; E213-L269 HydrophobicContact CB-CD1 4.28Å; R215-L269 HydrophobicContact CG-CD1 3.73Å; T258-L269 HydrophobicContact CG2-CD2 3.97Å; I261-L269 HydrophobicContact CB-CB 3.94Å; I261-L269 HydrophobicContact CD1-CB 4.32Å; I261-L269 HydrophobicContact CD1-CD2 4.45Å; I261-L269 HydrophobicContact CG1-CB 4.12Å; I261-L269 HydrophobicContact CG1-CD2 4.48Å; I261-L269 PolarHBondContact N-O 3.4Å; I261-L269 PolarHBondContact O-N 2.9Å; L269-Y271 HydrophobicContact CD1-CE2 4.46Å; L269-Y271 HydrophobicContact CD2-CE2 4.2Å; L269-Y271 HydrophobicContact CG-CE2 3.97Å
270E96.8Very high96.1Very high35 Ų3534 Ų3416%0.16417%0.166CC..EExtended strand (participates in β ladder)trans-110.9147.2-179.5-56.1173.87600109.9E213 K214 L262 K268 R272E213-E270 CarbonylContact C-O 3.6Å; K214-E270 HydrophobicContact CB-CB 4.38Å; K214-E270 WeakPolarHBondContact CE-OE2 3.43Å; K214-E270 PolarHBondContact N-O 2.87Å; K214-E270 IonicContact NZ-OE1 2.87Å; K214-E270 IonicContact NZ-OE2 2.86Å; K214-E270 PolarHBondContact NZ-OE2 3.32Å; K214-E270 PolarHBondContact O-N 3.22Å; L262-E270 HydrophobicContact CD2-CG 4.3Å; K268-E270 HydrophobicContact CB-CG 4.42Å; E270-R272 IonicContact OE1-CZ 3.71Å; E270-R272 IonicContact OE1-NE 3.83Å; E270-R272 IonicContact OE1-NH2 2.8Å; E270-R272 PolarHBondContact OE1-NH2 3.01Å
271Y97.9Very high95.6Very high3 Ų339 Ų391%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-112.7144.9168.9-65.2-91.5000109.4E213 I230 L257 T258 S260 L269 I291 I293E213-Y271 HydrophobicContact CB-CD1 4.01Å; E213-Y271 HydrophobicContact CB-CE1 3.7Å; I230-Y271 HydrophobicContact CD1-CD1 3.55Å; I230-Y271 HydrophobicContact CD1-CE1 3.54Å; L257-Y271 HydrophobicContact CB-CE1 4.4Å; L257-Y271 HydrophobicContact CD1-CD1 4.21Å; L257-Y271 HydrophobicContact CD1-CE1 3.87Å; L257-Y271 HydrophobicContact CD2-CE1 4.21Å; L257-Y271 HydrophobicContact CG-CE1 4.39Å; T258-Y271 PolarHBondContact N-OH 2.8Å; T258-Y271 VanDerWaalsContact O-CE2 3.28Å; T258-Y271 WeakPolarHBondContact O-CE2 3.44Å; T258-Y271 PolarHBondContact O-OH 2.88Å; S260-Y271 WeakPolarHBondContact OG-CD2 3.42Å; L269-Y271 HydrophobicContact CD1-CE2 4.46Å; L269-Y271 HydrophobicContact CD2-CE2 4.2Å; L269-Y271 HydrophobicContact CG-CE2 3.97Å; Y271-I291 PolarHBondContact N-O 2.87Å; Y271-I291 PolarHBondContact O-N 3.31Å; Y271-I291 VanDerWaalsContact O-O 3.13Å; Y271-I293 HydrophobicContact CD1-CD1 3.73Å; Y271-I293 HydrophobicContact CD2-CB 4.25Å; Y271-I293 HydrophobicContact CD2-CD1 3.49Å; Y271-I293 VanDerWaalsContact CD2-CD1 3.49Å; Y271-I293 HydrophobicContact CD2-CG1 3.63Å; Y271-I293 HydrophobicContact CE1-CD1 3.76Å; Y271-I293 HydrophobicContact CE2-CB 4.31Å; Y271-I293 HydrophobicContact CE2-CD1 3.55Å; Y271-I293 HydrophobicContact CE2-CG1 3.99Å; Y271-I293 HydrophobicContact CG-CD1 3.6Å; Y271-I293 HydrophobicContact CG-CG1 3.96Å
272R97.8Very high95.3Very high63 Ų6340.5 Ų40.524%0.23821%0.213CC..EExtended strand (participates in β ladder)trans-142.8141.9178.3-64.2-174.3-178.1-153.7-0.7110.7Y212 E270 L289Y212-R272 HydrophobicContact CD1-CB 4.24Å; Y212-R272 VanDerWaalsContact CD1-O 3.28Å; Y212-R272 WeakPolarHBondContact CD1-O 3.27Å; Y212-R272 HydrophobicContact CE1-CB 3.56Å; Y212-R272 HydrophobicContact CE2-CB 4.29Å; Y212-R272 PolarHBondContact N-O 2.95Å; Y212-R272 PolarHBondContact O-N 3.29Å; Y212-R272 WeakPolarHBondContact OH-CD 3.32Å; E270-R272 IonicContact OE1-CZ 3.71Å; E270-R272 IonicContact OE1-NE 3.83Å; E270-R272 IonicContact OE1-NH2 2.8Å; E270-R272 PolarHBondContact OE1-NH2 3.01Å; R272-L289 CarbonylContact C-O 3.57Å; R272-L289 VanDerWaalsContact CA-O 3.28Å; R272-L289 WeakPolarHBondContact CA-O 3.47Å
273L98.1Very high95.2Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-96.7114.5165.517866.1000108.9M191 V193 F209 I251 V275 K288 L289 I291M191-L273 HydrophobicContact CE-CD2 3.93Å; M191-L273 HydrophobicContact SD-CD2 4.14Å; V193-L273 HydrophobicContact CB-CD2 4.42Å; V193-L273 HydrophobicContact CG1-CD2 4.07Å; V193-L273 HydrophobicContact CG2-CD2 3.55Å; F209-L273 HydrophobicContact CB-CD1 4.25Å; I251-L273 HydrophobicContact CD1-CD1 3.35Å; I251-L273 HydrophobicContact CD1-CD2 3.7Å; I251-L273 HydrophobicContact CD1-CG 4.17Å; L273-V275 HydrophobicContact CD2-CG2 4.08Å; L273-V275 HydrophobicContact CG-CG2 4.03Å; L273-K288 CarbonylContact O-C 3.59Å; L273-K288 WeakPolarHBondContact O-CA 3.4Å; L273-L289 HydrophobicContact CB-CB 4.43Å; L273-L289 HydrophobicContact CD2-CD1 4.5Å; L273-L289 PolarHBondContact N-O 3.37Å; L273-L289 PolarHBondContact O-N 3.37Å; L273-I291 HydrophobicContact CB-CD1 3.82Å
274K98.2Very high95.2Very high45 Ų4540.7 Ų40.720%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-93.1121.7170.7172.4-177.4157.4-148.80108.9F209 E210 Y212 Y276 V287 K288F209-K274 CarbonylContact C-O 3.56Å; F209-K274 WeakPolarHBondContact CA-O 3.27Å; E210-K274 HydrophobicContact CB-CB 4.24Å; E210-K274 PolarHBondContact N-O 2.8Å; E210-K274 PolarHBondContact O-N 3.09Å; E210-K274 IonicContact OE2-NZ 2.64Å; E210-K274 PolarHBondContact OE2-NZ 2.9Å; Y212-K274 HydrophobicContact CD1-CB 4.28Å; Y212-K274 HydrophobicContact CE1-CB 3.84Å; K274-Y276 HydrophobicContact CD-CD1 4.38Å; K274-Y276 HydrophobicContact CG-CD1 4.04Å; K274-V287 WeakPolarHBondContact CA-O 3.2Å; K274-K288 HydrophobicContact CB-CG 4.26Å; K274-K288 HydrophobicContact CG-CG 4.44Å
275V98Very high95.2Very high0 Ų041 Ų410%023%0.226CC..EExtended strand (participates in β ladder)trans-109.5130.1172-173.10000107.6M176 V178 I195 K208 F209 L273 K286 V287M176-V275 HydrophobicContact SD-CG1 4.32Å; V178-V275 HydrophobicContact CG1-CB 4.47Å; V178-V275 HydrophobicContact CG1-CG2 3.9Å; V178-V275 HydrophobicContact CG2-CB 4.12Å; V178-V275 HydrophobicContact CG2-CG1 3.99Å; V178-V275 HydrophobicContact CG2-CG2 4.43Å; I195-V275 HydrophobicContact CG1-CG1 4.42Å; K208-V275 WeakPolarHBondContact O-CA 3.4Å; F209-V275 HydrophobicContact CD1-CB 4.44Å; F209-V275 HydrophobicContact CD1-CG1 4.1Å; F209-V275 HydrophobicContact CD1-CG2 3.75Å; F209-V275 HydrophobicContact CE1-CB 4.4Å; F209-V275 HydrophobicContact CE1-CG1 3.66Å; F209-V275 HydrophobicContact CE1-CG2 3.89Å; F209-V275 HydrophobicContact CZ-CG1 4.22Å; L273-V275 HydrophobicContact CD2-CG2 4.08Å; L273-V275 HydrophobicContact CG-CG2 4.03Å; V275-K286 CarbonylContact O-C 3.52Å; V275-K286 VanDerWaalsContact O-CA 3.27Å; V275-K286 WeakPolarHBondContact O-CA 3.43Å; V275-V287 HydrophobicContact CB-CG2 3.9Å; V275-V287 PolarHBondContact N-O 2.92Å; V275-V287 PolarHBondContact O-N 2.91Å
276Y97.3Very high95.3Very high29 Ų2943.4 Ų43.411%0.11423%0.227CC..EExtended strand (participates in β ladder)trans-145.9150.3-18063-76.1000111.2K208 E210 K274 D284 P285K208-Y276 HydrophobicContact CB-CD1 4.03Å; K208-Y276 HydrophobicContact CB-CD2 4.21Å; K208-Y276 HydrophobicContact CB-CE1 3.54Å; K208-Y276 HydrophobicContact CB-CE2 3.75Å; K208-Y276 HydrophobicContact CB-CG 4.34Å; K208-Y276 HydrophobicContact CD-CE2 3.57Å; K208-Y276 WeakPolarHBondContact CD-OH 3.4Å; K208-Y276 HydrophobicContact CG-CE2 4.23Å; K208-Y276 PolarHBondContact N-O 2.87Å; K208-Y276 WeakPolarHBondContact O-CD1 3.4Å; K208-Y276 PolarHBondContact O-N 2.8Å; E210-Y276 HydrophobicContact CB-CE1 4.33Å; K274-Y276 HydrophobicContact CD-CD1 4.38Å; K274-Y276 HydrophobicContact CG-CD1 4.04Å; Y276-D284 HydrophobicContact CD2-CB 4.04Å; Y276-D284 WeakPolarHBondContact CD2-OD2 3.04Å; Y276-P285 WeakPolarHBondContact CA-O 3.34Å; Y276-P285 VanDerWaalsContact CB-O 3.28Å; Y276-P285 WeakPolarHBondContact CB-O 3.35Å
277L96.7Very high95.2Very high1 Ų143.2 Ų43.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-99.3115.2175.9-52.9-178.1000108.1V174 M176 I197 V205 P207 I279 D284 P285V174-L277 HydrophobicContact CG2-CD1 3.65Å; M176-L277 HydrophobicContact CB-CD1 4.1Å; M176-L277 HydrophobicContact CB-CG 4.49Å; M176-L277 HydrophobicContact CE-CG 4.09Å; M176-L277 HydrophobicContact SD-CG 4.37Å; I197-L277 HydrophobicContact CD1-CD2 3.62Å; I197-L277 HydrophobicContact CG1-CD2 4.2Å; I197-L277 HydrophobicContact CG2-CD1 4.29Å; V205-L277 HydrophobicContact CB-CB 4.34Å; V205-L277 HydrophobicContact CG2-CD1 4.37Å; P207-L277 HydrophobicContact CB-CD2 4.08Å; P207-L277 HydrophobicContact CG-CD2 4.09Å; L277-I279 HydrophobicContact CB-CG1 4.38Å; L277-I279 PolarHBondContact O-N 3.14Å; L277-D284 WeakPolarHBondContact O-CA 3.17Å; L277-D284 WeakPolarHBondContact O-CB 3.4Å; L277-D284 VanDerWaalsContact O-CG 3.3Å; L277-P285 HydrophobicContact CB-CG 3.86Å; L277-P285 HydrophobicContact CD1-CG 4.15Å; L277-P285 HydrophobicContact CG-CG 4.16Å; L277-P285 PolarHBondContact N-O 2.85Å; L277-P285 VanDerWaalsContact N-O 3.09Å; L277-P285 WeakPolarHBondContact O-CD 3.49Å
278D95.9Very high95.2Very high55 Ų5547.4 Ų47.429%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-74.6117.9173.317827.9000109.2K206 K208 D284K206-D278 HydrophobicContact CB-CB 4.22Å; K206-D278 PolarHBondContact N-O 2.94Å; K206-D278 WeakPolarHBondContact O-CB 3.44Å; K206-D278 PolarHBondContact O-N 2.69Å; K208-D278 HydrophobicContact CD-CB 4.08Å; K208-D278 WeakPolarHBondContact CE-OD2 2.8Å; K208-D278 IonicContact NZ-OD1 2.58Å; K208-D278 IonicContact NZ-OD2 3.9Å; K208-D278 PolarHBondContact NZ-OD2 3.42Å; D278-D284 WeakPolarHBondContact CA-OD1 3.44Å
279I93.1Very high95.2Very high3 Ų343.7 Ų43.72%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-125.3121.9-176.7-47.1-178.3000108.8L167 V174 R203 V205 L277 C281 A282 D284 P285L167-I279 HydrophobicContact CD1-CG2 4.35Å; L167-I279 HydrophobicContact CD2-CD1 4.25Å; L167-I279 HydrophobicContact CD2-CG2 4.43Å; V174-I279 HydrophobicContact CG1-CD1 3.7Å; R203-I279 HydrophobicContact CB-CG2 4.32Å; V205-I279 HydrophobicContact CB-CG1 4.35Å; V205-I279 HydrophobicContact CG1-CD1 4Å; V205-I279 HydrophobicContact CG1-CG1 3.76Å; V205-I279 HydrophobicContact CG1-CG2 4.48Å; L277-I279 HydrophobicContact CB-CG1 4.38Å; L277-I279 PolarHBondContact O-N 3.14Å; I279-C281 PolarHBondContact O-N 2.94Å; I279-A282 HydrophobicContact CB-CB 4.17Å; I279-A282 HydrophobicContact CG2-CB 3.97Å; I279-A282 PolarHBondContact O-N 2.81Å; I279-A282 VanDerWaalsContact O-O 3.1Å; I279-D284 PolarHBondContact N-OD1 3.16Å; I279-P285 HydrophobicContact CD1-CG 4.14Å
280K89.1Confident95.2Very high172 Ų17246 Ų4675%0.74824%0.244SC*.THydrogen-bonded Turntrans-56.7132.9176.3-66.2-173.1-179.31790110.6R203 A282R203-K280 PolarHBondContact NH1-O 2.65Å; K280-A282 PolarHBondContact O-N 2.9Å
281C86.3Confident95.2Very high126 Ų12644.5 Ų44.585%0.85124%0.237SC*.THydrogen-bonded Turntrans55.233.4175.8-53.10000114R203 I279R203-C281 PolarHBondContact NH1-O 2.76Å; I279-C281 PolarHBondContact O-N 2.94Å
282A88.9Confident95.1Very high31 Ų3145 Ų4526%0.25624%0.24SC..SBendtrans-149.7153.8171.700000109.5L167 I279 K280L167-A282 HydrophobicContact CD2-CB 3.89Å; I279-A282 HydrophobicContact CB-CB 4.17Å; I279-A282 HydrophobicContact CG2-CB 3.97Å; I279-A282 PolarHBondContact O-N 2.81Å; I279-A282 VanDerWaalsContact O-O 3.1Å; K280-A282 PolarHBondContact O-N 2.9Å
283A90.5Very high95Very high72 Ų7242.1 Ų42.160%0.59523%0.23SC*.PPolyproline II helixtrans-66.9140.3172.900000111.6K165 P285K165-A283 WeakPolarHBondContact CD-O 3.25Å; K165-A283 WeakPolarHBondContact CE-O 3.29Å; K165-A283 PolarHBondContact NZ-O 3.09Å; A283-P285 WeakPolarHBondContact O-CD 3.45Å
284D94Very high94.8Very high55 Ų5543 Ų4329%0.29423%0.234SC..PPolyproline II helixtrans-71.6124-178.1-60.5-15.3000111.3Y276 L277 D278 I279Y276-D284 HydrophobicContact CD2-CB 4.04Å; Y276-D284 WeakPolarHBondContact CD2-OD2 3.04Å; L277-D284 WeakPolarHBondContact O-CA 3.17Å; L277-D284 WeakPolarHBondContact O-CB 3.4Å; L277-D284 VanDerWaalsContact O-CG 3.3Å; D278-D284 WeakPolarHBondContact CA-OD1 3.44Å; I279-D284 PolarHBondContact N-OD1 3.16Å
285P94.8Very high94.4Very high9 Ų941.6 Ų41.66%0.05823%0.229CC..PPolyproline II helixtrans-62.9142.1163.630.4-33.8000108.1K163 K165 V174 M176 Y276 L277 I279 A283K163-P285 HydrophobicContact CG-CB 4.12Å; K165-P285 HydrophobicContact CB-CB 4.15Å; K165-P285 HydrophobicContact CB-CG 4.4Å; K165-P285 HydrophobicContact CD-CB 4.42Å; K165-P285 HydrophobicContact CD-CG 4.43Å; V174-P285 HydrophobicContact CG1-CG 4.48Å; M176-P285 HydrophobicContact CE-CB 3.73Å; M176-P285 HydrophobicContact CE-CG 4.03Å; M176-P285 VanDerWaalsContact CE-O 3.27Å; M176-P285 WeakPolarHBondContact CE-O 3.46Å; Y276-P285 WeakPolarHBondContact CA-O 3.34Å; Y276-P285 VanDerWaalsContact CB-O 3.28Å; Y276-P285 WeakPolarHBondContact CB-O 3.35Å; L277-P285 HydrophobicContact CB-CG 3.86Å; L277-P285 HydrophobicContact CD1-CG 4.15Å; L277-P285 HydrophobicContact CG-CG 4.16Å; L277-P285 PolarHBondContact N-O 2.85Å; L277-P285 VanDerWaalsContact N-O 3.09Å; L277-P285 WeakPolarHBondContact O-CD 3.49Å; I279-P285 HydrophobicContact CD1-CG 4.14Å; A283-P285 WeakPolarHBondContact O-CD 3.45Å
286K96.8Very high93.5Very high122 Ų12245.4 Ų45.453%0.5325%0.247SC..EExtended strand (participates in β ladder)trans-147.4141.6-175.166.1-167175.1-165.40111.7V275V275-K286 CarbonylContact O-C 3.52Å; V275-K286 VanDerWaalsContact O-CA 3.27Å; V275-K286 WeakPolarHBondContact O-CA 3.43Å
287V97.4Very high92.1Very high8 Ų847.1 Ų47.15%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-122.6160.4169.6-60.70000109.8E161 K163 M176 V178 K274 V275E161-V287 HydrophobicContact CB-CB 3.93Å; E161-V287 HydrophobicContact CB-CG1 4.14Å; E161-V287 HydrophobicContact CB-CG2 4.4Å; K163-V287 HydrophobicContact CB-CG1 3.71Å; M176-V287 HydrophobicContact CE-CG1 4.42Å; M176-V287 HydrophobicContact CG-CG1 4.35Å; M176-V287 HydrophobicContact SD-CG1 4.23Å; M176-V287 HydrophobicContact SD-CG2 3.92Å; V178-V287 HydrophobicContact CB-CG2 3.91Å; V178-V287 HydrophobicContact CG1-CG2 4.47Å; V178-V287 HydrophobicContact CG2-CG2 3.48Å; V178-V287 VanDerWaalsContact CG2-CG2 3.48Å; K274-V287 WeakPolarHBondContact CA-O 3.2Å; V275-V287 HydrophobicContact CB-CG2 3.9Å; V275-V287 PolarHBondContact N-O 2.92Å; V275-V287 PolarHBondContact O-N 2.91Å
288K97.4Very high90.4Very high88 Ų8848.9 Ų48.938%0.38327%0.267SS..EExtended strand (participates in β ladder)trans-137.4111.3-177.8-69.6176.9176.7179.20110.2Y212 L273 K274Y212-K288 WeakPolarHBondContact OH-CD 3.33Å; Y212-K288 WeakPolarHBondContact OH-CE 3.41Å; L273-K288 CarbonylContact O-C 3.59Å; L273-K288 WeakPolarHBondContact O-CA 3.4Å; K274-K288 HydrophobicContact CB-CG 4.26Å; K274-K288 HydrophobicContact CG-CG 4.44Å
289L97.3Very high88.2Confident0 Ų050.7 Ų50.70%029%0.285CS..EExtended strand (participates in β ladder)trans-88.2124.5173.7-56.2-177000110Q159 E161 V178 A180 M191 V193 R272 L273Q159-L289 HydrophobicContact CB-CD2 4.2Å; E161-L289 HydrophobicContact CB-CD2 3.89Å; E161-L289 HydrophobicContact CG-CD2 3.56Å; V178-L289 HydrophobicContact CG1-CD1 3.79Å; V178-L289 HydrophobicContact CG1-CG 4.36Å; A180-L289 HydrophobicContact CB-CD1 3.78Å; M191-L289 HydrophobicContact CE-CD1 4.16Å; V193-L289 HydrophobicContact CG1-CD1 4.48Å; R272-L289 CarbonylContact C-O 3.57Å; R272-L289 VanDerWaalsContact CA-O 3.28Å; R272-L289 WeakPolarHBondContact CA-O 3.47Å; L273-L289 HydrophobicContact CB-CB 4.43Å; L273-L289 HydrophobicContact CD2-CD1 4.5Å; L273-L289 PolarHBondContact N-O 3.37Å; L273-L289 PolarHBondContact O-N 3.37Å
290P96.8Very high85.9Confident49 Ų4959.9 Ų59.932%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-63.5146.8168.126.4-34.9000112.3Q159 M183Q159-P290 PolarHBondContact NE2-O 3.25Å; Q159-P290 VanDerWaalsContact OE1-CG 3.28Å; Q159-P290 PolarHBondContact OE1-O 3.24Å; M183-P290 HydrophobicContact CG-CB 4.4Å; M183-P290 HydrophobicContact CG-CG 4.47Å; M183-P290 HydrophobicContact SD-CB 3.97Å; M183-P290 HydrophobicContact SD-CG 3.94Å
291I96.4Very high83.8Confident4 Ų456.9 Ų56.92%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-131.8132.1175.3-65.2170.5000108.2Y185 M191 L211 Y271 L273 I293Y185-I291 HydrophobicContact CD2-CG2 4.01Å; M191-I291 HydrophobicContact CE-CD1 4.29Å; M191-I291 HydrophobicContact CE-CG1 4.38Å; M191-I291 HydrophobicContact SD-CD1 3.7Å; M191-I291 HydrophobicContact SD-CG1 4.24Å; L211-I291 HydrophobicContact CD1-CD1 3.56Å; Y271-I291 PolarHBondContact N-O 2.87Å; Y271-I291 PolarHBondContact O-N 3.31Å; Y271-I291 VanDerWaalsContact O-O 3.13Å; L273-I291 HydrophobicContact CB-CD1 3.82Å; I291-I293 HydrophobicContact CG2-CG1 4.23Å
292V96.2Very high81.6Confident13 Ų1355.5 Ų55.58%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-110114.8172.4177.50000108.3L155 M183 G184 Y185 L262 L294L155-V292 HydrophobicContact CD1-CB 3.72Å; L155-V292 HydrophobicContact CD1-CG1 3.77Å; L155-V292 HydrophobicContact CD1-CG2 4.28Å; M183-V292 HydrophobicContact CE-CG2 3.8Å; M183-V292 HydrophobicContact CG-CB 4.45Å; M183-V292 HydrophobicContact CG-CG2 3.91Å; M183-V292 PolarHBondContact O-N 3.3Å; M183-V292 HydrophobicContact SD-CG2 3.95Å; G184-V292 CarbonylContact C-O 3.58Å; G184-V292 WeakPolarHBondContact CA-O 3.39Å; Y185-V292 PolarHBondContact N-O 3.43Å; L262-V292 HydrophobicContact CD1-CG1 4.34Å; L262-V292 HydrophobicContact CD1-CG2 3.91Å; V292-L294 HydrophobicContact CG1-CD2 4.14Å
293I95.7Very high79.1Confident3 Ų356.9 Ų56.92%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-87.2119.4174.8-58.9-173000108Y185 L187 I253 L257 S260 Y271 I291Y185-I293 WeakPolarHBondContact O-CA 3.31Å; L187-I293 HydrophobicContact CD2-CG2 3.56Å; L187-I293 HydrophobicContact CG-CG2 3.95Å; I253-I293 HydrophobicContact CG2-CD1 4.07Å; I253-I293 HydrophobicContact CG2-CG1 4.44Å; L257-I293 HydrophobicContact CB-CD1 3.78Å; L257-I293 HydrophobicContact CD1-CD1 3.39Å; L257-I293 HydrophobicContact CG-CD1 4.24Å; S260-I293 PolarHBondContact N-O 2.9Å; S260-I293 PolarHBondContact OG-N 2.76Å; Y271-I293 HydrophobicContact CD1-CD1 3.73Å; Y271-I293 HydrophobicContact CD2-CB 4.25Å; Y271-I293 HydrophobicContact CD2-CD1 3.49Å; Y271-I293 VanDerWaalsContact CD2-CD1 3.49Å; Y271-I293 HydrophobicContact CD2-CG1 3.63Å; Y271-I293 HydrophobicContact CE1-CD1 3.76Å; Y271-I293 HydrophobicContact CE2-CB 4.31Å; Y271-I293 HydrophobicContact CE2-CD1 3.55Å; Y271-I293 HydrophobicContact CE2-CG1 3.99Å; Y271-I293 HydrophobicContact CG-CD1 3.6Å; Y271-I293 HydrophobicContact CG-CG1 3.96Å; I291-I293 HydrophobicContact CG2-CG1 4.23Å
294L93.7Very high76.4Confident18 Ų1861.4 Ų61.49%0.09433%0.326CS..EExtended strand (participates in β ladder)trans-83.7142.1-179.5-60.1175.2000110.6A148 M150 L155 Y185 V292A148-L294 HydrophobicContact CB-CD2 4.45Å; M150-L294 HydrophobicContact SD-CD1 4.32Å; L155-L294 HydrophobicContact CD1-CD2 4.2Å; L155-L294 HydrophobicContact CD2-CD1 4.48Å; L155-L294 HydrophobicContact CD2-CD2 4.08Å; Y185-L294 PolarHBondContact O-N 3.22Å; V292-L294 HydrophobicContact CG1-CD2 4.14Å
295P89.5Confident73.6Confident15 Ų1566.6 Ų66.610%0.09735%0.352CS..PPolyproline II helixtrans-64151.8171.128.8-33.4000110.7V145 S146 A148 P259V145-P295 HydrophobicContact CG1-CB 3.75Å; S146-P295 WeakPolarHBondContact O-CG 3.31Å; A148-P295 HydrophobicContact CB-CG 3.89Å; P259-P295 HydrophobicContact CB-CB 4.09Å; P259-P295 HydrophobicContact CG-CB 3.93Å
296E80.6Confident70.7Confident80 Ų8073.2 Ų73.237%0.37438%0.382SS..PPolyproline II helixtrans-65141.5171.2-73.4-177.3167.400110.3R16 I298R16-E296 IonicContact CZ-OE2 3.18Å; R16-E296 IonicContact NH1-OE2 3.6Å; R16-E296 PolarHBondContact NH1-OE2 3.07Å; R16-E296 IonicContact NH2-OE2 3.9Å; R16-E296 PolarHBondContact NH2-OE2 2.77Å; E296-I298 VanDerWaalsContact C-N 3.33Å; E296-I298 PolarHBondContact O-N 3.35Å
297D67.7Low67.6Low65 Ų6573.1 Ų73.135%0.34839%0.394SS..  trans-71.686.7175.3-72.5-38.6000109.5K186 S299 R300K186-D297 IonicContact NZ-OD2 2.94Å; D297-S299 PolarHBondContact O-N 2.83Å; D297-R300 PolarHBondContact O-N 2.67Å; D297-R300 IonicContact OD2-NH1 3.58Å; D297-R300 PolarHBondContact OD2-NH1 3.05Å
298I59.5Low64.7Low38 Ų3880.4 Ų80.420%0.19543%0.431CS..G310 helixtrans-64.4-19.3178.1-58.2163.8000111.3T18 V145 E296 R300 E301T18-I298 HydrophobicContact CG2-CD1 3.79Å; V145-I298 HydrophobicContact CB-CD1 4.02Å; V145-I298 HydrophobicContact CG1-CD1 4.13Å; V145-I298 HydrophobicContact CG2-CD1 4.47Å; E296-I298 VanDerWaalsContact C-N 3.33Å; E296-I298 PolarHBondContact O-N 3.35Å; I298-R300 PolarHBondContact O-N 3.15Å; I298-E301 PolarHBondContact O-N 2.62Å
299S51Low61.7Low94 Ų9481.5 Ų81.566%0.65745%0.448SS*.G310 helixtrans-67.4-12.617853.50000114.6D297 S302D297-S299 PolarHBondContact O-N 2.83Å; S299-S302 PolarHBondContact O-OG 3.09Å
300R45.1Very low58.8Low195 Ų19587.3 Ų87.374%0.73649%0.485SS*.G310 helixtrans-96.7-9-179.9-72.8-177.3158.8132.8-6.6114.5D297 I298D297-R300 PolarHBondContact O-N 2.67Å; D297-R300 IonicContact OD2-NH1 3.58Å; D297-R300 PolarHBondContact OD2-NH1 3.05Å; I298-R300 PolarHBondContact O-N 3.15Å
301E43.3Very low55.9Low110 Ų11089.1 Ų89.151%0.51450%0.504SS..  trans-85.4-7.5177.7-81.8-175.4174.300113.4R16 I298 G303R16-E301 IonicContact CZ-OE1 2.65Å; R16-E301 IonicContact NE-OE1 3.3Å; R16-E301 IonicContact NE-OE2 2.78Å; R16-E301 IonicContact NH2-OE1 3.72Å; R16-E301 PolarHBondContact NH2-OE1 2.98Å; R16-E301 IonicContact NH2-OE2 2.64Å; I298-E301 PolarHBondContact O-N 2.62Å; E301-G303 PolarHBondContact O-N 2.92Å
302S40.3Very low52.6Low96 Ų96100.7 Ų100.767%0.67155%0.548SS*.  trans-75.874.2164.155.50000109.1S299 E304S299-S302 PolarHBondContact O-OG 3.09Å; S302-E304 PolarHBondContact O-N 2.87Å
303G36.9Very low49.5Very low61 Ų61109.9 Ų109.963%0.62959%0.587SS**  trans-54.612516600000108.9E301 I305E301-G303 PolarHBondContact O-N 2.92Å; G303-I305 PolarHBondContact O-N 3.21Å
304E33.7Very low46.3Very low167 Ų167113.2 Ų113.278%0.7862%0.623SS**  trans-50.8108.5166.9-69.2176.5147.100108.8S302 Q306S302-E304 PolarHBondContact O-N 2.87Å; E304-Q306 HydrophobicContact CB-CG 4.37Å; E304-Q306 PolarHBondContact O-N 2.74Å; E304-Q306 VanDerWaalsContact O-N 3.11Å
305I34.7Very low43.4Very low163 Ų163120.3 Ų120.384%0.83666%0.66SS**  trans-75.290.6148.4-58.5176.4000103.7G303 P307G303-I305 PolarHBondContact O-N 3.21Å; I305-P307 WeakPolarHBondContact O-CD 3.39Å
306Q33.8Very low40.6Very low148 Ų148128.7 Ų128.769%0.69270%0.698SS**PPolyproline II helixtrans-55.2124.1165.5-80.2-176.8-7.400107.4E304 L308E304-Q306 HydrophobicContact CB-CG 4.37Å; E304-Q306 PolarHBondContact O-N 2.74Å; E304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-L308 PolarHBondContact O-N 3.5Å; Q306-L308 VanDerWaalsContact O-N 3.16Å
307P33.7Very low38.1Very low120 Ų120129 Ų12978%0.77971%0.713SS**PPolyproline II helixtrans-62.9120.3167.7-13.827.6000107.3I305I305-P307 WeakPolarHBondContact O-CD 3.39Å
308L34.8Very low36.2Very low161 Ų161136.3 Ų136.384%0.84374%0.743SS**PPolyproline II helixtrans-50.7135.9165.3-76.2159.3000108.2Q306Q306-L308 PolarHBondContact O-N 3.5Å; Q306-L308 VanDerWaalsContact O-N 3.16Å
309P35.1Very low34.8Very low112 Ų112138.5 Ų138.573%0.72777%0.774SS**PPolyproline II helixtrans-60139.2179.923.5-30.7000109.4A311P309-A311 PolarHBondContact O-N 2.93Å
310P36.1Very low33.8Very low121 Ų121141.7 Ų141.779%0.78678%0.784SS**PPolyproline II helixtrans-60.5126178.722.9-30.5000109.2R312P310-R312 PolarHBondContact O-N 2.98Å
311A35.7Very low33.9Very low87 Ų87137 Ų13772%0.71978%0.779SS**  trans-55.6113.3169.200000108.2P309 F313P309-A311 PolarHBondContact O-N 2.93Å; A311-F313 PolarHBondContact O-N 3.13Å; A311-F313 VanDerWaalsContact O-N 3.09Å
312R28.1Very low33.5Very low248 Ų248139.6 Ų139.694%0.93680%0.796SS**  trans-63.5109.3170-85-176.9171.8174.7-2.6107.7P310 G314P310-R312 PolarHBondContact O-N 2.98Å; R312-G314 PolarHBondContact O-N 3.05Å
313F30.6Very low33.9Very low205 Ų205140 Ų14090%0.89980%0.796SS**  trans-68.4106.8157.5-85.5-90.7000107.7A311A311-F313 PolarHBondContact O-N 3.13Å; A311-F313 VanDerWaalsContact O-N 3.09Å
314G28.8Very low33.6Very low74 Ų74146.7 Ų146.776%0.76381%0.811SS**  trans-97.9113.7164.100000109.1R312R312-G314 PolarHBondContact O-N 3.05Å
315L32.8Very low33.3Very low167 Ų167144.4 Ų144.487%0.87481%0.809SS**  trans-75.7129.4150.6-9699.5000106.8
316E30.1Very low33.1Very low191 Ų191149 Ų14989%0.89382%0.816SS**  -173.9132.8120.9-98.2-177.6-177.200113.8
317A27.9Very low32.8Very low85 Ų85145.5 Ų145.570%0.70282%0.82SS**  trans18.2128.4152.800000124.7
318F29.4Very low32.5Very low220 Ų220146 Ų14697%0.96582%0.821SS**  trans41.4122134.9-72.3-87000122.3
319G28.6Very low32.1Very low83 Ų83145.1 Ų145.186%0.85682%0.823SS**  trans159.9106.9154.700000115.5
320N29.9Very low32Very low161 Ų161144.7 Ų144.786%0.86182%0.822SS**  trans-66.8-174.6-176.5-129.314.9000114.8
321P48.3Very low31.9Very low98 Ų98144.9 Ų144.964%0.63682%0.824SS**  -131.6149.7-62.733.4-14.4000114.1
322N33.8Very low31.8Very low164 Ų164145.7 Ų145.788%0.87783%0.83SS**  175.2154.7129.2-119.93.4000112.7
323P49.4Very low32.1Very low103 Ų103142.7 Ų142.767%0.66983%0.829SS**  trans-103.8148.1-163.838.6-31.7000113.4
324Q30Very low32.5Very low202 Ų202137.9 Ų137.994%0.94482%0.821SS**  trans-138.9139.1152.9-75.9-169.1-2100111.7
325T28Very low33.3Very low119 Ų119140 Ų14073%0.7382%0.821SS**  trans-96.6141.7-16038.10000114
326W29.5Very low33.6Very low259 Ų259137.8 Ų137.898%0.98182%0.817SS**  trans68.5128.6136.2-67.35.2000122.1
327G27.6Very low34.1Very low76 Ų76134.3 Ų134.378%0.78481%0.811SS**  trans173.353.4160.800000113.8
328T27.7Very low34.4Very low130 Ų130136.1 Ų136.180%0.79882%0.815SS**  trans-87.9125.4174.4-45.30000110.1
329T27.1Very low35Very low143 Ų143135.8 Ų135.888%0.87781%0.809SS**  trans-136.5107.5155.80.90000108.5
330S32.9Very low35.4Very low103 Ų103140.8 Ų140.872%0.7281%0.81SS**PPolyproline II helixtrans-97138.4167.4-58.10000108.8
331P34.8Very low35.7Very low125 Ų125137.9 Ų137.981%0.81281%0.808SS**PPolyproline II helixtrans-82.3131.6160.81.815.7000109.9
332A32.3Very low35Very low104 Ų104138 Ų13886%0.8681%0.811SS**PPolyproline II helixtrans-64.5134.2175.500000112
333M33.8Very low35.3Very low184 Ų184134.4 Ų134.491%0.90681%0.805SS**PPolyproline II helixtrans-80.8129.2167.1-82.6177.952.500110.4
334S39.9Very low34.5Very low104 Ų104137.6 Ų137.673%0.72781%0.813SS**PPolyproline II helixtrans-69.6145.1166.2460000111.6
335P44.6Very low34.7Very low119 Ų119138 Ų13877%0.77381%0.812SS**PPolyproline II helixtrans-75.5152.4-17930.1-33.1000112.7
336P41Very low35Very low120 Ų120138 Ų13878%0.77981%0.814SS**PPolyproline II helixtrans-76.2156.7179.330.8-33.6000112.9
337P39.1Very low35.3Very low118 Ų118131.2 Ų131.277%0.76681%0.806SS**PPolyproline II helixtrans-75.2161.1-174.830-34.2000113.9
338P35.3Very low35.8Very low123 Ų123137.1 Ų137.180%0.79981%0.81SS**PPolyproline II helixtrans-78154.4-172.3-7.325.1000114.3E340P338-E340 PolarHBondContact O-N 2.89Å
339Y41.1Very low36Very low213 Ų213135.9 Ų135.984%0.83580%0.804SS**SBendtrans-79.461.2-169.8-168.8-98.4000114.6
340E37.7Very low36.3Very low189 Ų189134 Ų13488%0.88380%0.797SS**  trans-123.44.5174-92.1-170.3164.400115.8P338P338-E340 PolarHBondContact O-N 2.89Å
341A35.7Very low36.4Very low99 Ų99136.9 Ų136.982%0.81880%0.799SS**  trans-93.18.8-179.100000115.5A343A341-A343 PolarHBondContact O-N 3.12Å
342S34.8Very low36.2Very low100 Ų100141 Ų14170%0.69980%0.8SS**  trans-98.150.5-178.7-62.80000112.5
343A39Very low36.1Very low89 Ų89145.1 Ų145.174%0.73680%0.799SS**  trans-140.552.6175.400000112.1A341A341-A343 PolarHBondContact O-N 3.12Å
344M32.1Very low35.9Very low171 Ų171142.9 Ų142.984%0.84280%0.795SS**  trans-143.879.1165.8-80.2-165.8-179.500110.4
345F35Very low35.3Very low210 Ų210143.8 Ų143.892%0.92180%0.797SS**SBendtrans-161.6139.6143-81.6-62.1000109.6
346P33.4Very low34.8Very low120 Ų120149.3 Ų149.378%0.77982%0.818SS**PPolyproline II helixtrans-75.2133.7-170.428.7-32.8000112.4
347S36.5Very low34.5Very low115 Ų115150.8 Ų150.880%0.80482%0.82SS**PPolyproline II helixtrans-65134.2169.143.40000111.9
348F37Very low34.2Very low200 Ų200152.5 Ų152.588%0.87782%0.823SS**PPolyproline II helixtrans-63.6135.1174.1-74.4-86000111.9S350F348-S350 PolarHBondContact O-N 3.4Å
349P32Very low34.2Very low104 Ų104154.1 Ų154.168%0.67583%0.825SS**PPolyproline II helixtrans-72123.8171.225.5-28.2000110.8
350S34.2Very low33.8Very low105 Ų105150.6 Ų150.673%0.73482%0.824SS**PPolyproline II helixtrans-71.5137.3164.6173.50000109.2F348F348-S350 PolarHBondContact O-N 3.4Å
351E34.1Very low33.5Very low162 Ų162148.3 Ų148.376%0.75782%0.82SS**  trans82.8111.2170.8-51.7-172160.900117.8
352Y32.2Very low33.4Very low213 Ų213151.5 Ų151.584%0.83582%0.82SS**  trans-131120.9140.5-78.7-76000109.9
353K29.6Very low33.3Very low190 Ų190155.2 Ų155.283%0.82683%0.829SS**  trans-56.9132.1166.3-78.2170.7174.5171.70108.9T355K353-T355 PolarHBondContact O-N 3.29Å
354T28.9Very low32.8Very low136 Ų136160.3 Ų160.383%0.83484%0.836SS**  trans-75.5117.1165.4-490000107.5
355T28.3Very low32.9Very low123 Ų123159.4 Ų159.476%0.75584%0.836SS**  trans-114.9115.2160.4-18.30000106.3K353K353-T355 PolarHBondContact O-N 3.29Å
356L33.7Very low32.7Very low235 Ų235154.8 Ų154.8100%1.2383%0.828SS**  trans58.50170-65.9164.4000118.3

Retrieved 356 of 356 residues in 470.3 ms (Link to these results)

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