A0A093HMV1_STRCA Loading...

U2 small nuclear ribonucleoprotein B

AlphaFold DB , UniProt , Accession A0A093HMV1, Species STRCA (Struthio camelus australis), Gene n/a, Length 226 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
1M49.3Very low89.8Confident234 Ų23474.1 Ų74.1100%1.15336%0.357SS*.  0127.50-80.8-174.2-17300107.7I3M1-I3 PolarHBondContact O-N 3.37Å
2D73.7Confident90.4Very high165 Ų16571.3 Ų71.388%0.88235%0.345SS*.  trans-72.8120.8174.8-152.9-6.7000109
3I87.8Confident90.9Very high51 Ų5170.2 Ų70.226%0.26234%0.342SS..  trans-94113-176-54.5179.6000108M1M1-I3 PolarHBondContact O-N 3.37Å
4R93.2Very high91.3Very high212 Ų21265.4 Ų65.480%0.832%0.319SS*.  trans-61.9149179.1-61.3-172.4-59.7-178.92.1111.6N6R4-N6 PolarHBondContact O-N 3.05Å
5P96.4Very high91.6Very high78 Ų7863.3 Ų63.351%0.50631%0.31SS..  trans-51.7134.9172.9-28.135.9000112.4L59 Y83P5-L59 HydrophobicContact CB-CD1 4.02Å; P5-L59 HydrophobicContact CB-CD2 4.36Å; P5-L59 HydrophobicContact CB-CG 4.45Å; P5-Y83 HydrophobicContact CB-CE1 4.22Å; P5-Y83 HydrophobicContact CB-CE2 4.24Å; P5-Y83 HydrophobicContact CG-CE2 4.3Å
6N97.1Very high91.9Very high11 Ų1162.8 Ų62.86%0.05931%0.309CS..  trans-137.2146.3-177.6-159.4-59.2000110.6R4 T8 S62 Y83 D87R4-N6 PolarHBondContact O-N 3.05Å; N6-T8 PolarHBondContact O-N 2.94Å; N6-T8 PolarHBondContact OD1-N 3.12Å; N6-S62 WeakPolarHBondContact O-CB 3.35Å; N6-S62 PolarHBondContact O-OG 3.24Å; N6-Y83 HydrophobicContact CB-CD1 4.24Å; N6-Y83 WeakPolarHBondContact O-CD1 3.15Å; N6-D87 PolarHBondContact ND2-OD1 3.37Å
7H97.3Very high92.1Very high19 Ų1969.9 Ų69.99%0.08834%0.337CS..SBendtrans-60.5-26.7175-6565.9000111.7F56 K57 I91 R95H7-F56 PolarHBondContact O-N 3.33Å; H7-K57 PolarHBondContact CD2-O 3.4Å; H7-I91 HydrophobicContact CB-CD1 3.89Å; H7-I91 HydrophobicContact CB-CG1 3.98Å; H7-I91 HydrophobicContact CB-CG2 4.4Å; H7-R95 PolarHBondContact CE1-NH2 3.08Å; H7-R95 PolarHBondContact NE2-NH2 3.44Å
8T98.1Very high92.4Very high0 Ų067.4 Ų67.40%033%0.326CS..EExtended strand (participates in β ladder)trans-98.3126.1177.1-53.10000110.4N6 F53 V54 I55 A84 S88N6-T8 PolarHBondContact O-N 2.94Å; N6-T8 PolarHBondContact OD1-N 3.12Å; T8-F53 HydrophobicContact CG2-CB 3.84Å; T8-F53 HydrophobicContact CG2-CD1 3.91Å; T8-F53 HydrophobicContact CG2-CG 4.33Å; T8-V54 WeakPolarHBondContact CA-O 3.41Å; T8-I55 HydrophobicContact CG2-CG1 3.82Å; T8-A84 HydrophobicContact CG2-CB 3.83Å; T8-A84 VanDerWaalsContact O-CB 3.3Å; T8-A84 WeakPolarHBondContact O-CB 3.44Å; T8-A84 PolarHBondContact O-N 3.4Å; T8-S88 WeakPolarHBondContact CB-OG 3.42Å; T8-S88 WeakPolarHBondContact CG2-OG 3.19Å; T8-S88 WeakPolarHBondContact OG1-CB 3.27Å; T8-S88 PolarHBondContact OG1-OG 3.42Å
9I98.3Very high92.6Very high0 Ų072.4 Ų72.40%035%0.346CS..EExtended strand (participates in β ladder)trans-98.1138.616759.2172.9000110I11 F31 F53 V54 F56 A65 L66 I81 Q82 Y83I9-I11 HydrophobicContact CD1-CD1 4.3Å; I9-I11 HydrophobicContact CD1-CG1 4.42Å; I9-I11 HydrophobicContact CG1-CG1 4.49Å; I9-F31 HydrophobicContact CD1-CD1 3.75Å; I9-F31 HydrophobicContact CD1-CE1 3.27Å; I9-F31 HydrophobicContact CD1-CZ 3.93Å; I9-F53 VanDerWaalsContact O-CA 3.29Å; I9-F53 WeakPolarHBondContact O-CA 3.27Å; I9-V54 HydrophobicContact CD1-CB 4.14Å; I9-V54 HydrophobicContact CG1-CB 3.79Å; I9-V54 PolarHBondContact N-O 3.03Å; I9-V54 PolarHBondContact O-N 3.36Å; I9-F56 HydrophobicContact CD1-CE2 3.91Å; I9-F56 HydrophobicContact CG1-CE2 4.28Å; I9-A65 HydrophobicContact CD1-CB 4.44Å; I9-L66 HydrophobicContact CG2-CB 4.46Å; I9-I81 HydrophobicContact CB-CG2 3.88Å; I9-I81 HydrophobicContact CD1-CG2 3.94Å; I9-I81 HydrophobicContact CG1-CG2 4.39Å; I9-I81 HydrophobicContact CG2-CG2 4.29Å; I9-Q82 CarbonylContact C-O 3.54Å; I9-Q82 WeakPolarHBondContact CA-O 3.35Å; I9-Y83 HydrophobicContact CG2-CD1 4.36Å
10Y98.3Very high92.8Very high45 Ų4573.8 Ų73.818%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-95.7130.6170.1168.8-110.3000109N12 Q51 F53 I81 Q82Y10-N12 HydrophobicContact CE1-CB 3.83Å; Y10-N12 WeakPolarHBondContact OH-CB 3.46Å; Y10-Q51 HydrophobicContact CE2-CB 3.99Å; Y10-Q51 HydrophobicContact CE2-CG 4.08Å; Y10-Q51 VanDerWaalsContact OH-CD 3.26Å; Y10-Q51 PolarHBondContact OH-OE1 2.89Å; Y10-F53 HydrophobicContact CD2-CD1 4.1Å; Y10-F53 AromaticContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE2 4.23Å; Y10-F53 AromaticContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CE2-CZ 4.17Å; Y10-F53 HydrophobicContact CG-CE1 4.06Å; Y10-I81 WeakPolarHBondContact O-CA 3.39Å; Y10-Q82 PolarHBondContact N-O 3.21Å; Y10-Q82 PolarHBondContact O-N 3.25Å
11I98.1Very high93Very high0 Ų076.3 Ų76.30%036%0.362CS..EExtended strand (participates in β ladder)trans-120.7128.9179.3-47.6173.7000108.1I9 I14 L27 F31 Q51 A52 V54 M79 R80 I81I9-I11 HydrophobicContact CD1-CD1 4.3Å; I9-I11 HydrophobicContact CD1-CG1 4.42Å; I9-I11 HydrophobicContact CG1-CG1 4.49Å; I11-I14 HydrophobicContact CB-CD1 4.02Å; I11-I14 HydrophobicContact CG2-CD1 3.64Å; I11-I14 HydrophobicContact CG2-CG1 3.81Å; I11-L27 HydrophobicContact CD1-CD2 4.15Å; I11-F31 HydrophobicContact CD1-CD2 4.4Å; I11-F31 HydrophobicContact CD1-CE1 4.31Å; I11-F31 HydrophobicContact CD1-CE2 3.45Å; I11-F31 VanDerWaalsContact CD1-CE2 3.45Å; I11-F31 HydrophobicContact CD1-CZ 3.39Å; I11-F31 HydrophobicContact CG1-CZ 4.44Å; I11-Q51 CarbonylContact O-C 3.59Å; I11-Q51 WeakPolarHBondContact O-CA 3.44Å; I11-A52 PolarHBondContact N-O 3.45Å; I11-A52 PolarHBondContact O-N 3.33Å; I11-V54 HydrophobicContact CD1-CG2 3.63Å; I11-M79 HydrophobicContact CG2-CB 3.87Å; I11-M79 HydrophobicContact CG2-CG 4.25Å; I11-M79 HydrophobicContact CG2-SD 4.06Å; I11-R80 CarbonylContact C-O 3.56Å; I11-R80 VanDerWaalsContact CA-O 3.3Å; I11-R80 WeakPolarHBondContact CA-O 3.43Å; I11-I81 HydrophobicContact CG1-CG1 4.33Å; I11-I81 HydrophobicContact CG1-CG2 4.44Å; I11-I81 HydrophobicContact CG2-CG1 4.34Å
12N97.3Very high95.3Very high40 Ų4069 Ų6921%0.21433%0.325CS..EExtended strand (participates in β ladder)trans-128.3179.6170.370.7-10.9000111.9Y10 I14 Q51 R80Y10-N12 HydrophobicContact CE1-CB 3.83Å; Y10-N12 WeakPolarHBondContact OH-CB 3.46Å; N12-I14 VanDerWaalsContact C-N 3.26Å; N12-I14 PolarHBondContact O-N 3.39Å; N12-Q51 HydrophobicContact CB-CG 3.99Å; N12-R80 PolarHBondContact N-O 2.8Å; N12-R80 PolarHBondContact O-N 2.95Å; N12-R80 WeakPolarHBondContact OD1-CB 3.2Å; N12-R80 PolarHBondContact OD1-O 3Å
13N97.3Very high96.5Very high58 Ų5861.4 Ų61.431%0.3128%0.284SS..SBendtrans63.724.9-172.1-16238.1000114.8G50 K77 P78N13-G50 PolarHBondContact N-O 2.86Å; N13-K77 WeakPolarHBondContact O-CB 3.07Å; N13-K77 VanDerWaalsContact O-CE 3.24Å; N13-K77 WeakPolarHBondContact O-CE 3.24Å; N13-K77 PolarHBondContact O-NZ 3.4Å; N13-K77 WeakPolarHBondContact OD1-CE 3.2Å; N13-K77 PolarHBondContact OD1-NZ 3.03Å; N13-P78 PolarHBondContact ND2-O 2.9Å
14I96.5Very high97Very high2 Ų262.2 Ų62.21%0.0129%0.286CS..  trans-77.5157.4174.8-53171.7000110.1I11 N12 D16 L23 L27 G50 A52 F74 K77I11-I14 HydrophobicContact CB-CD1 4.02Å; I11-I14 HydrophobicContact CG2-CD1 3.64Å; I11-I14 HydrophobicContact CG2-CG1 3.81Å; N12-I14 VanDerWaalsContact C-N 3.26Å; N12-I14 PolarHBondContact O-N 3.39Å; I14-D16 PolarHBondContact O-N 3.19Å; I14-L23 HydrophobicContact CG2-CD1 3.74Å; I14-L27 HydrophobicContact CD1-CD1 4.45Å; I14-G50 PolarHBondContact N-O 3.22Å; I14-G50 VanDerWaalsContact N-O 3.08Å; I14-A52 HydrophobicContact CD1-CB 3.95Å; I14-F74 HydrophobicContact CG2-CD1 3.86Å; I14-F74 HydrophobicContact CG2-CE1 3.99Å; I14-K77 PolarHBondContact O-NZ 3.19Å
15N95.9Very high97.2Very high35 Ų3559.4 Ų59.419%0.18728%0.275CS..  trans-67.1116.8170.8-171.2-20.1000110.8K17 I18 Y75 K77N15-K17 WeakPolarHBondContact OD1-CB 3.49Å; N15-K17 PolarHBondContact OD1-N 3.05Å; N15-I18 HydrophobicContact CB-CG1 4.16Å; N15-Y75 PolarHBondContact ND2-O 2.9Å; N15-K77 HydrophobicContact CB-CD 4.21Å
16D95.3Very high97.3Very high54 Ų5457 Ų5729%0.28926%0.261SS..THydrogen-bonded Turntrans-83.5-10-175.567.9-23.1000113.9I14 K44 R49I14-D16 PolarHBondContact O-N 3.19Å; D16-K44 PolarHBondContact O-NZ 2.89Å; D16-R49 HydrophobicContact CB-CB 4.08Å; D16-R49 HydrophobicContact CB-CG 4.38Å; D16-R49 WeakPolarHBondContact OD2-CD 3.14Å; D16-R49 IonicContact OD2-CZ 3.89Å; D16-R49 IonicContact OD2-NE 2.78Å; D16-R49 IonicContact OD2-NH1 3.58Å; D16-R49 PolarHBondContact OD2-NH1 3.39Å
17K96.2Very high97.4Very high184 Ų18456.5 Ų56.580%0.826%0.258SS*.THydrogen-bonded Turntrans-74.5-23177.5-59.2-176.7179.1-178.80113.8N15N15-K17 WeakPolarHBondContact OD1-CB 3.49Å; N15-K17 PolarHBondContact OD1-N 3.05Å
18I96.6Very high97.4Very high26 Ų2660.9 Ų60.913%0.13327%0.274CS..SBendtrans-66.2140.1-178.8-53.4-55.6000110.8N15 E22 L23 K44 Y75N15-I18 HydrophobicContact CB-CG1 4.16Å; I18-E22 HydrophobicContact CG2-CB 4.07Å; I18-E22 HydrophobicContact CG2-CG 3.92Å; I18-L23 HydrophobicContact CG2-CB 4.15Å; I18-K44 WeakPolarHBondContact O-CE 3.45Å; I18-K44 PolarHBondContact O-NZ 2.94Å; I18-Y75 HydrophobicContact CD1-CD1 3.58Å; I18-Y75 HydrophobicContact CD1-CD2 4.46Å; I18-Y75 HydrophobicContact CD1-CE1 4Å; I18-Y75 HydrophobicContact CD1-CG 3.83Å; I18-Y75 HydrophobicContact CG1-CD1 4.01Å; I18-Y75 HydrophobicContact CG1-CD2 3.96Å; I18-Y75 HydrophobicContact CG1-CE1 4.43Å; I18-Y75 HydrophobicContact CG1-CE2 4.39Å; I18-Y75 HydrophobicContact CG1-CG 3.75Å; I18-Y75 HydrophobicContact CG2-CE2 4.27Å
19K97.6Very high97.4Very high161 Ų16164.3 Ų64.370%0.730%0.303SS*.  trans-63147.8179.7-68.8179.1-178.3175.20111.2E21 E22 L23K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 2.95Å; K19-E22 HydrophobicContact CB-CB 4.34Å; K19-E22 PolarHBondContact O-N 2.97Å; K19-L23 WeakPolarHBondContact O-CB 3.46Å; K19-L23 PolarHBondContact O-N 3.21Å
20K96.5Very high97.4Very high101 Ų10165.6 Ų65.644%0.43931%0.31SS..Hα-helixtrans-54.2-45.7-174.9178.1-176.3166.5-175.10112.7K24 A42 K44K20-K24 PolarHBondContact O-N 3.43Å; K20-A42 WeakPolarHBondContact CE-O 2.99Å; K20-K44 HydrophobicContact CB-CG 4.01Å
21E97.2Very high97.4Very high127 Ų12763.5 Ų63.559%0.59330%0.301SS*.Hα-helixtrans-70.9-41.9-177-59.5-174.3176.600112.7K19 L23 K24 R25K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 2.95Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-K24 PolarHBondContact O-N 2.82Å; E21-R25 WeakPolarHBondContact O-CB 3.49Å; E21-R25 WeakPolarHBondContact O-CG 3.29Å; E21-R25 PolarHBondContact O-N 2.91Å; E21-R25 IonicContact OE2-CZ 2.85Å; E21-R25 IonicContact OE2-NH1 3.33Å; E21-R25 PolarHBondContact OE2-NH1 3.42Å; E21-R25 IonicContact OE2-NH2 2.74Å; E21-R25 PolarHBondContact OE2-NH2 3.22Å
22E97.5Very high97.4Very high81 Ų8165.5 Ų65.538%0.37932%0.315SS..Hα-helixtrans-61-45.3174.9-177-178.9-178.600110.7I18 K19 K24 R25 S26I18-E22 HydrophobicContact CG2-CB 4.07Å; I18-E22 HydrophobicContact CG2-CG 3.92Å; K19-E22 HydrophobicContact CB-CB 4.34Å; K19-E22 PolarHBondContact O-N 2.97Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 3.47Å; E22-R25 PolarHBondContact O-N 2.79Å; E22-R25 VanDerWaalsContact O-N 3.17Å; E22-S26 PolarHBondContact O-N 3.05Å; E22-S26 PolarHBondContact O-OG 3.06Å; E22-S26 VanDerWaalsContact O-OG 3.13Å
23L97.9Very high97.4Very high4 Ų469.8 Ų69.82%0.02133%0.334CS..Hα-helixtrans-55.7-47.6173.7175.160.7000111.7I14 I18 K19 E21 L27 A42 F74I14-L23 HydrophobicContact CG2-CD1 3.74Å; I18-L23 HydrophobicContact CG2-CB 4.15Å; K19-L23 WeakPolarHBondContact O-CB 3.46Å; K19-L23 PolarHBondContact O-N 3.21Å; E21-L23 VanDerWaalsContact C-N 3.34Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CG 4.01Å; L23-L27 HydrophobicContact CG-CD1 3.97Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.25Å; L23-L27 PolarHBondContact O-N 3.35Å; L23-A42 HydrophobicContact CD2-CB 4.18Å; L23-F74 HydrophobicContact CD1-CE1 3.67Å; L23-F74 HydrophobicContact CD1-CZ 4.3Å
24K98.3Very high97.5Very high68 Ų6867.9 Ų67.930%0.29632%0.323SS..Hα-helixtrans-61.8-45.2176.2-77.3-168.858.4155.20111.7K20 E21 E22 L27 Y28 D39 I40 A42K20-K24 PolarHBondContact O-N 3.43Å; E21-K24 PolarHBondContact O-N 2.82Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 3.47Å; K24-L27 PolarHBondContact O-N 3.37Å; K24-Y28 WeakPolarHBondContact O-CB 3.49Å; K24-Y28 PolarHBondContact O-N 3.01Å; K24-D39 IonicContact NZ-OD1 3.5Å; K24-D39 PolarHBondContact NZ-OD1 2.89Å; K24-I40 WeakPolarHBondContact CE-O 3.29Å; K24-I40 HydrophobicContact CG-CB 4.44Å; K24-I40 HydrophobicContact CG-CG2 4.05Å; K24-I40 PolarHBondContact NZ-O 2.71Å; K24-I40 WeakPolarHBondContact O-CD1 3.47Å; K24-A42 HydrophobicContact CG-CB 4.32Å
25R98.3Very high97.5Very high153 Ų15368.9 Ų68.958%0.57733%0.333SS*.Hα-helixtrans-61.3-46.1179.5-78.3-172.9-88.5-94.13.1111.9E21 E22 Y28 A29E21-R25 WeakPolarHBondContact O-CB 3.49Å; E21-R25 WeakPolarHBondContact O-CG 3.29Å; E21-R25 PolarHBondContact O-N 2.91Å; E21-R25 IonicContact OE2-CZ 2.85Å; E21-R25 IonicContact OE2-NH1 3.33Å; E21-R25 PolarHBondContact OE2-NH1 3.42Å; E21-R25 IonicContact OE2-NH2 2.74Å; E21-R25 PolarHBondContact OE2-NH2 3.22Å; E22-R25 PolarHBondContact O-N 2.79Å; E22-R25 VanDerWaalsContact O-N 3.17Å; R25-Y28 WeakPolarHBondContact O-CB 3.49Å; R25-Y28 PolarHBondContact O-N 2.87Å; R25-A29 PolarHBondContact O-N 2.81Å
26S98.1Very high97.6Very high29 Ų2972.5 Ų72.520%0.20335%0.349CS..Hα-helixtrans-70.7-39179.8-56.50000112.9E22 Y28 A29 L30 Y75E22-S26 PolarHBondContact O-N 3.05Å; E22-S26 PolarHBondContact O-OG 3.06Å; E22-S26 VanDerWaalsContact O-OG 3.13Å; S26-Y28 VanDerWaalsContact C-N 3.31Å; S26-A29 PolarHBondContact O-N 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.13Å; S26-L30 PolarHBondContact O-N 3.38Å; S26-Y75 WeakPolarHBondContact CB-OH 2.94Å; S26-Y75 PolarHBondContact OG-OH 3.45Å
27L98.3Very high97.7Very high0 Ų070.1 Ų70.10%034%0.337CS..Hα-helixtrans-62.2-42.2171.9-73.5172000110.6I11 I14 L23 K24 L30 F31 I40 A52 F74I11-L27 HydrophobicContact CD1-CD2 4.15Å; I14-L27 HydrophobicContact CD1-CD1 4.45Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CG 4.01Å; L23-L27 HydrophobicContact CG-CD1 3.97Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.25Å; L23-L27 PolarHBondContact O-N 3.35Å; K24-L27 PolarHBondContact O-N 3.37Å; L27-L30 PolarHBondContact O-N 3.38Å; L27-F31 HydrophobicContact CB-CD2 4.49Å; L27-F31 HydrophobicContact CD2-CD2 4.16Å; L27-F31 HydrophobicContact CD2-CE2 3.77Å; L27-F31 WeakPolarHBondContact O-CB 3.46Å; L27-F31 VanDerWaalsContact O-CD2 3.29Å; L27-F31 WeakPolarHBondContact O-CD2 3.08Å; L27-F31 PolarHBondContact O-N 2.98Å; L27-I40 HydrophobicContact CB-CD1 3.89Å; L27-I40 HydrophobicContact CB-CG2 4.5Å; L27-I40 HydrophobicContact CD1-CG2 4.13Å; L27-A52 HydrophobicContact CD1-CB 3.6Å; L27-F74 HydrophobicContact CD2-CE1 3.82Å; L27-F74 HydrophobicContact CD2-CE2 4.47Å; L27-F74 HydrophobicContact CD2-CZ 3.79Å; L27-F74 HydrophobicContact CG-CE1 4.11Å; L27-F74 HydrophobicContact CG-CZ 3.91Å
28Y98.6Very high97.7Very high111 Ų11163.6 Ų63.644%0.43531%0.312SS..Hα-helixtrans-59.9-49.8175.8-175.1-91.6000111.6K24 R25 S26 L30 F31 S32 V37 I40K24-Y28 WeakPolarHBondContact O-CB 3.49Å; K24-Y28 PolarHBondContact O-N 3.01Å; R25-Y28 WeakPolarHBondContact O-CB 3.49Å; R25-Y28 PolarHBondContact O-N 2.87Å; S26-Y28 VanDerWaalsContact C-N 3.31Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.21Å; Y28-F31 PolarHBondContact O-N 3.34Å; Y28-S32 WeakPolarHBondContact CE1-OG 3.43Å; Y28-S32 VanDerWaalsContact O-CB 3.27Å; Y28-S32 WeakPolarHBondContact O-CB 3.39Å; Y28-S32 PolarHBondContact O-N 3.27Å; Y28-S32 PolarHBondContact O-OG 3.34Å; Y28-V37 HydrophobicContact CD2-CB 3.99Å; Y28-V37 HydrophobicContact CD2-CG1 4.03Å; Y28-V37 HydrophobicContact CE2-CB 3.93Å; Y28-V37 HydrophobicContact CE2-CG1 4.35Å; Y28-I40 HydrophobicContact CD2-CD1 4.3Å; Y28-I40 VanDerWaalsContact N-CD1 3.29Å
29A98.2Very high97.8Very high72 Ų7265.5 Ų65.560%0.59532%0.322SS*.Hα-helixtrans-59.3-43.8179.600000111.8R25 S26R25-A29 PolarHBondContact O-N 2.81Å; S26-A29 PolarHBondContact O-N 3.28Å
30L98Very high97.8Very high27 Ų2758 Ų5814%0.14129%0.29CS..Hα-helixtrans-67.9-47.9179.6-179.165.2000112.1S26 L27 Y28 Q33 L69 F72 F74 M79S26-L30 WeakPolarHBondContact O-CB 3.13Å; S26-L30 PolarHBondContact O-N 3.38Å; L27-L30 PolarHBondContact O-N 3.38Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.21Å; L30-Q33 VanDerWaalsContact O-CG 3.31Å; L30-Q33 WeakPolarHBondContact O-CG 3.37Å; L30-Q33 PolarHBondContact O-NE2 3.11Å; L30-L69 HydrophobicContact CD1-CD1 4.36Å; L30-L69 HydrophobicContact CD1-CD2 4.33Å; L30-L69 HydrophobicContact CD2-CD1 3.95Å; L30-L69 HydrophobicContact CG-CD1 3.86Å; L30-F72 HydrophobicContact CD1-CE1 4.18Å; L30-F72 HydrophobicContact CD1-CZ 4.29Å; L30-F72 HydrophobicContact CD2-CD1 4.16Å; L30-F72 HydrophobicContact CD2-CE1 4.12Å; L30-F74 HydrophobicContact CD2-CD2 3.96Å; L30-F74 HydrophobicContact CD2-CE2 4.2Å; L30-M79 HydrophobicContact CD2-CE 3.52Å
31F98.3Very high97.8Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-82.2-18.6-172.1-79.4-83.9000114I9 I11 L27 Y28 Q33 F34 V37 V54 F56 A65 L69 M79 I81I9-F31 HydrophobicContact CD1-CD1 3.75Å; I9-F31 HydrophobicContact CD1-CE1 3.27Å; I9-F31 HydrophobicContact CD1-CZ 3.93Å; I11-F31 HydrophobicContact CD1-CD2 4.4Å; I11-F31 HydrophobicContact CD1-CE1 4.31Å; I11-F31 HydrophobicContact CD1-CE2 3.45Å; I11-F31 VanDerWaalsContact CD1-CE2 3.45Å; I11-F31 HydrophobicContact CD1-CZ 3.39Å; I11-F31 HydrophobicContact CG1-CZ 4.44Å; L27-F31 HydrophobicContact CB-CD2 4.49Å; L27-F31 HydrophobicContact CD2-CD2 4.16Å; L27-F31 HydrophobicContact CD2-CE2 3.77Å; L27-F31 WeakPolarHBondContact O-CB 3.46Å; L27-F31 VanDerWaalsContact O-CD2 3.29Å; L27-F31 WeakPolarHBondContact O-CD2 3.08Å; L27-F31 PolarHBondContact O-N 2.98Å; Y28-F31 PolarHBondContact O-N 3.34Å; F31-Q33 PolarHBondContact O-N 2.9Å; F31-Q33 VanDerWaalsContact O-N 3.14Å; F31-F34 HydrophobicContact CD1-CD2 4.38Å; F31-F34 PolarHBondContact O-N 2.92Å; F31-F34 VanDerWaalsContact O-N 3.12Å; F31-V37 HydrophobicContact CB-CG2 4.03Å; F31-V54 HydrophobicContact CB-CG1 4Å; F31-V54 HydrophobicContact CD2-CG2 4.13Å; F31-V54 HydrophobicContact CE2-CG2 4.37Å; F31-V54 HydrophobicContact CG-CG1 4.1Å; F31-V54 HydrophobicContact CG-CG2 4.44Å; F31-F56 HydrophobicContact CB-CZ 3.85Å; F31-F56 HydrophobicContact CD1-CE2 4.12Å; F31-F56 AromaticContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CG-CZ 4.29Å; F31-F56 WeakPolarHBondContact O-CE1 3.31Å; F31-A65 HydrophobicContact CD1-CB 3.81Å; F31-A65 HydrophobicContact CE1-CB 3.96Å; F31-L69 HydrophobicContact CD1-CD1 3.84Å; F31-L69 HydrophobicContact CD2-CD1 4.49Å; F31-L69 HydrophobicContact CE1-CD1 3.44Å; F31-L69 VanDerWaalsContact CE1-CD1 3.44Å; F31-L69 HydrophobicContact CE2-CD1 4.13Å; F31-L69 HydrophobicContact CG-CD1 4.37Å; F31-L69 HydrophobicContact CZ-CD1 3.6Å; F31-M79 HydrophobicContact CE2-SD 4.23Å; F31-M79 HydrophobicContact CZ-SD 4.01Å; F31-I81 HydrophobicContact CE1-CD1 4.14Å; F31-I81 HydrophobicContact CZ-CD1 3.89Å
32S97.9Very high97.7Very high43 Ų4350.1 Ų50.130%0.30126%0.259SS..G310 helixtrans-61.3-21.8177.7-65.60000113.6Y28 F34 G35Y28-S32 WeakPolarHBondContact CE1-OG 3.43Å; Y28-S32 VanDerWaalsContact O-CB 3.27Å; Y28-S32 WeakPolarHBondContact O-CB 3.39Å; Y28-S32 PolarHBondContact O-N 3.27Å; Y28-S32 PolarHBondContact O-OG 3.34Å; S32-F34 PolarHBondContact O-N 3.09Å; S32-G35 PolarHBondContact O-N 3.09Å
33Q97.4Very high97.6Very high129 Ų12950 Ų5060%0.60326%0.261SS*.G310 helixtrans-64.8-22.4176.675.5-172.4-8300113.4L30 F31L30-Q33 VanDerWaalsContact O-CG 3.31Å; L30-Q33 WeakPolarHBondContact O-CG 3.37Å; L30-Q33 PolarHBondContact O-NE2 3.11Å; F31-Q33 PolarHBondContact O-N 2.9Å; F31-Q33 VanDerWaalsContact O-N 3.14Å
34F98.2Very high97.4Very high19 Ų1953.4 Ų53.48%0.08328%0.275CS..G310 helixtrans-94.1-13.3-178.9-55.9-76.4000113.1F31 S32 F56 S61 N64 A65 Q68 L69F31-F34 HydrophobicContact CD1-CD2 4.38Å; F31-F34 PolarHBondContact O-N 2.92Å; F31-F34 VanDerWaalsContact O-N 3.12Å; S32-F34 PolarHBondContact O-N 3.09Å; F34-F56 HydrophobicContact CB-CE1 4.27Å; F34-F56 HydrophobicContact CB-CZ 4.36Å; F34-S61 WeakPolarHBondContact O-CB 3.31Å; F34-S61 PolarHBondContact O-OG 3.45Å; F34-N64 HydrophobicContact CD1-CB 4.46Å; F34-A65 HydrophobicContact CB-CB 3.93Å; F34-A65 HydrophobicContact CD1-CB 4.3Å; F34-A65 HydrophobicContact CD2-CB 3.64Å; F34-A65 HydrophobicContact CE2-CB 4.29Å; F34-A65 HydrophobicContact CG-CB 3.66Å; F34-Q68 HydrophobicContact CE1-CB 3.78Å; F34-Q68 HydrophobicContact CE1-CG 4.13Å; F34-Q68 HydrophobicContact CZ-CB 4.07Å; F34-L69 HydrophobicContact CD2-CD1 4.28Å; F34-L69 HydrophobicContact CE2-CD1 3.36Å; F34-L69 HydrophobicContact CE2-CD2 4.28Å; F34-L69 HydrophobicContact CE2-CG 3.69Å; F34-L69 HydrophobicContact CZ-CD1 3.94Å; F34-L69 HydrophobicContact CZ-CD2 4.09Å; F34-L69 HydrophobicContact CZ-CG 3.7Å
35G97.3Very high97.2Very high22 Ų2253.8 Ų53.823%0.22728%0.284CS..SBendtrans150.4-179.9179.600000113.1S32 V37S32-G35 PolarHBondContact O-N 3.09Å; G35-V37 PolarHBondContact O-N 3.43Å
36H97.6Very high96.8Very high112 Ų11253.8 Ų53.852%0.51929%0.292SS..  trans-67.7113.9-176-176-115.1000111.9K57H36-K57 HydrophobicContact CB-CB 4.24Å; H36-K57 PolarHBondContact O-N 3.31Å
37V98Very high96.5Very high4 Ų460.5 Ų60.52%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-84.6117.9174.1178.80000108.8Y28 F31 G35 I40 V54 I55 F56Y28-V37 HydrophobicContact CD2-CB 3.99Å; Y28-V37 HydrophobicContact CD2-CG1 4.03Å; Y28-V37 HydrophobicContact CE2-CB 3.93Å; Y28-V37 HydrophobicContact CE2-CG1 4.35Å; F31-V37 HydrophobicContact CB-CG2 4.03Å; G35-V37 PolarHBondContact O-N 3.43Å; V37-I40 HydrophobicContact CG1-CD1 4.11Å; V37-I40 HydrophobicContact CG1-CG1 3.74Å; V37-V54 HydrophobicContact CG1-CG1 3.84Å; V37-V54 HydrophobicContact CG2-CG1 4.11Å; V37-I55 CarbonylContact C-O 3.55Å; V37-F56 HydrophobicContact CG2-CD1 4.1Å; V37-F56 HydrophobicContact CG2-CE1 3.69Å; V37-F56 HydrophobicContact CG2-CZ 4.18Å
38V96.8Very high96.3Very high46 Ų4662.4 Ų62.428%0.27933%0.327SS..EExtended strand (participates in β ladder)trans-79-46.3-177.2-177.40000111I55 K57 I90V38-I55 HydrophobicContact CB-CG2 4.36Å; V38-I55 PolarHBondContact N-O 3.04Å; V38-K57 HydrophobicContact CG2-CB 3.79Å; V38-I90 HydrophobicContact CG1-CD1 3.39Å; V38-I90 HydrophobicContact CG1-CG1 3.86Å; V38-I90 HydrophobicContact CG1-CG2 4.33Å
39D97.3Very high96.1Very high66 Ų6662.4 Ų62.435%0.35333%0.326SS..EExtended strand (participates in β ladder)trans-159.2161.6175.8-173.423.8000110.6K24 I55K24-D39 IonicContact NZ-OD1 3.5Å; K24-D39 PolarHBondContact NZ-OD1 2.89Å; D39-I55 HydrophobicContact CB-CD1 4.21Å; D39-I55 WeakPolarHBondContact O-CB 3.44Å; D39-I55 PolarHBondContact O-N 2.8Å
40I97.7Very high96Very high4 Ų459.5 Ų59.52%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-127.8121.5175.3-60.8173.2000109.1K24 L27 Y28 V37 F53 V54K24-I40 WeakPolarHBondContact CE-O 3.29Å; K24-I40 HydrophobicContact CG-CB 4.44Å; K24-I40 HydrophobicContact CG-CG2 4.05Å; K24-I40 PolarHBondContact NZ-O 2.71Å; K24-I40 WeakPolarHBondContact O-CD1 3.47Å; L27-I40 HydrophobicContact CB-CD1 3.89Å; L27-I40 HydrophobicContact CB-CG2 4.5Å; L27-I40 HydrophobicContact CD1-CG2 4.13Å; Y28-I40 HydrophobicContact CD2-CD1 4.3Å; Y28-I40 VanDerWaalsContact N-CD1 3.29Å; V37-I40 HydrophobicContact CG1-CD1 4.11Å; V37-I40 HydrophobicContact CG1-CG1 3.74Å; I40-F53 CarbonylContact C-O 3.42Å; I40-F53 VanDerWaalsContact CA-O 3.3Å; I40-F53 WeakPolarHBondContact CA-O 3.37Å; I40-V54 HydrophobicContact CG1-CG1 4.28Å; I40-V54 HydrophobicContact CG1-CG2 4.28Å; I40-V54 HydrophobicContact CG2-CG2 4.42Å
41V97Very high96Very high58 Ų5860.2 Ų60.235%0.35231%0.306SS..EExtended strand (participates in β ladder)trans-103.4113.9177.1-175.30000109.2A52 F53 I55V41-A52 CarbonylContact O-C 3.56Å; V41-A52 WeakPolarHBondContact O-CA 3.21Å; V41-F53 HydrophobicContact CB-CB 4.25Å; V41-F53 HydrophobicContact CB-CD2 4.49Å; V41-F53 PolarHBondContact N-O 2.68Å; V41-F53 PolarHBondContact O-N 2.91Å; V41-I55 HydrophobicContact CG2-CD1 4.25Å
42A96Very high96Very high5 Ų560.2 Ų60.24%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-136.4136.2173.300000109.7K20 L23 K24 A52K20-A42 WeakPolarHBondContact CE-O 2.99Å; L23-A42 HydrophobicContact CD2-CB 4.18Å; K24-A42 HydrophobicContact CG-CB 4.32Å; A42-A52 HydrophobicContact CB-CB 4.22Å
43L93.7Very high96Very high77 Ų7760.8 Ų60.840%0.40330%0.303SS..  trans-128149.9179.5-63.8174.8000109.7M48L43-M48 HydrophobicContact CB-CB 3.66Å; L43-M48 HydrophobicContact CB-CG 4.19Å; L43-M48 HydrophobicContact CD1-CG 4.14Å; L43-M48 CarbonylContact O-C 3.58Å
44K93.9Very high96.1Very high76 Ų7654.6 Ų54.633%0.3327%0.274SS..  trans-101.510.9-179.8-68.9-61-165.6178.70113.7D16 I18 K20D16-K44 PolarHBondContact O-NZ 2.89Å; I18-K44 WeakPolarHBondContact O-CE 3.45Å; I18-K44 PolarHBondContact O-NZ 2.94Å; K20-K44 HydrophobicContact CB-CG 4.01Å
45T94.3Very high96.1Very high77 Ų7753.9 Ų53.947%0.47227%0.271SS..SBendtrans-67.9155.3175.4610000110.4K47 M48 R49T45-K47 PolarHBondContact O-N 3.4Å; T45-K47 VanDerWaalsContact O-N 3.08Å; T45-M48 CarbonylContact O-C 3.54Å; T45-M48 PolarHBondContact O-N 3.12Å; T45-M48 WeakPolarHBondContact OG1-CB 3.36Å; T45-R49 WeakPolarHBondContact O-CB 3.37Å; T45-R49 PolarHBondContact O-N 3.15Å
46M90Very high96.1Very high153 Ų15352.9 Ų52.975%0.75426%0.26SS*.THydrogen-bonded Turntrans-53.3-35.8-178.1-70.4-64.3-92.500113.4
47K92.6Very high96.1Very high170 Ų17052 Ų5274%0.73926%0.255SS*.THydrogen-bonded Turntrans-74.4-29178.2-175.1173.3178.8173.70113.8T45 Q51T45-K47 PolarHBondContact O-N 3.4Å; T45-K47 VanDerWaalsContact O-N 3.08Å; K47-Q51 PolarHBondContact O-NE2 3.06Å
48M93.8Very high96Very high40 Ų4056.8 Ų56.820%0.19728%0.277CS..THydrogen-bonded Turntrans-113.6-8.9-170.1-64.2-58.2-56.200114.2L43 T45 Q51 F53L43-M48 HydrophobicContact CB-CB 3.66Å; L43-M48 HydrophobicContact CB-CG 4.19Å; L43-M48 HydrophobicContact CD1-CG 4.14Å; L43-M48 CarbonylContact O-C 3.58Å; T45-M48 CarbonylContact O-C 3.54Å; T45-M48 PolarHBondContact O-N 3.12Å; T45-M48 WeakPolarHBondContact OG1-CB 3.36Å; M48-Q51 WeakPolarHBondContact O-CB 3.32Å; M48-Q51 PolarHBondContact O-N 3.46Å; M48-F53 HydrophobicContact CE-CE2 3.79Å
49R94.8Very high96Very high111 Ų11157.6 Ų57.642%0.41928%0.28SS..THydrogen-bonded Turntrans-60.6144177.269.8-178.9-179.5138.8-11.8110.3D16 T45 Q51D16-R49 HydrophobicContact CB-CB 4.08Å; D16-R49 HydrophobicContact CB-CG 4.38Å; D16-R49 WeakPolarHBondContact OD2-CD 3.14Å; D16-R49 IonicContact OD2-CZ 3.89Å; D16-R49 IonicContact OD2-NE 2.78Å; D16-R49 IonicContact OD2-NH1 3.58Å; D16-R49 PolarHBondContact OD2-NH1 3.39Å; T45-R49 WeakPolarHBondContact O-CB 3.37Å; T45-R49 PolarHBondContact O-N 3.15Å; R49-Q51 PolarHBondContact O-N 3.44Å
50G96Very high96.1Very high11 Ų1157 Ų5711%0.11329%0.289CS..THydrogen-bonded Turntrans72.511.1-175.100000114.6N13 I14N13-G50 PolarHBondContact N-O 2.86Å; I14-G50 PolarHBondContact N-O 3.22Å; I14-G50 VanDerWaalsContact N-O 3.08Å
51Q97.9Very high96.1Very high42 Ų4257.6 Ų57.620%0.19629%0.293CS..  trans-129.7151.4179.5-58.7164.368.500111.4Y10 I11 N12 K47 M48 R49Y10-Q51 HydrophobicContact CE2-CB 3.99Å; Y10-Q51 HydrophobicContact CE2-CG 4.08Å; Y10-Q51 VanDerWaalsContact OH-CD 3.26Å; Y10-Q51 PolarHBondContact OH-OE1 2.89Å; I11-Q51 CarbonylContact O-C 3.59Å; I11-Q51 WeakPolarHBondContact O-CA 3.44Å; N12-Q51 HydrophobicContact CB-CG 3.99Å; K47-Q51 PolarHBondContact O-NE2 3.06Å; M48-Q51 WeakPolarHBondContact O-CB 3.32Å; M48-Q51 PolarHBondContact O-N 3.46Å; R49-Q51 PolarHBondContact O-N 3.44Å
52A98.1Very high96.1Very high0 Ų054.8 Ų54.80%028%0.277CS..EExtended strand (participates in β ladder)trans-149.1157174.200000111I11 I14 L27 V41 A42I11-A52 PolarHBondContact N-O 3.45Å; I11-A52 PolarHBondContact O-N 3.33Å; I14-A52 HydrophobicContact CD1-CB 3.95Å; L27-A52 HydrophobicContact CD1-CB 3.6Å; V41-A52 CarbonylContact O-C 3.56Å; V41-A52 WeakPolarHBondContact O-CA 3.21Å; A42-A52 HydrophobicContact CB-CB 4.22Å
53F98.4Very high96.2Very high54 Ų5456.2 Ų56.224%0.23729%0.285CS..EExtended strand (participates in β ladder)trans-115.9129.3165.6-62.8-90.4000108.7T8 I9 Y10 I40 V41 M48 A84T8-F53 HydrophobicContact CG2-CB 3.84Å; T8-F53 HydrophobicContact CG2-CD1 3.91Å; T8-F53 HydrophobicContact CG2-CG 4.33Å; I9-F53 VanDerWaalsContact O-CA 3.29Å; I9-F53 WeakPolarHBondContact O-CA 3.27Å; Y10-F53 HydrophobicContact CD2-CD1 4.1Å; Y10-F53 AromaticContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE2 4.23Å; Y10-F53 AromaticContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CE2-CZ 4.17Å; Y10-F53 HydrophobicContact CG-CE1 4.06Å; I40-F53 CarbonylContact C-O 3.42Å; I40-F53 VanDerWaalsContact CA-O 3.3Å; I40-F53 WeakPolarHBondContact CA-O 3.37Å; V41-F53 HydrophobicContact CB-CB 4.25Å; V41-F53 HydrophobicContact CB-CD2 4.49Å; V41-F53 PolarHBondContact N-O 2.68Å; V41-F53 PolarHBondContact O-N 2.91Å; M48-F53 HydrophobicContact CE-CE2 3.79Å; F53-A84 HydrophobicContact CD1-CB 4.32Å; F53-A84 HydrophobicContact CE1-CB 4.36Å
54V98.4Very high96.4Very high0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-111.7125173.7-179.10000107.4T8 I9 I11 F31 V37 I40 F56T8-V54 WeakPolarHBondContact CA-O 3.41Å; I9-V54 HydrophobicContact CD1-CB 4.14Å; I9-V54 HydrophobicContact CG1-CB 3.79Å; I9-V54 PolarHBondContact N-O 3.03Å; I9-V54 PolarHBondContact O-N 3.36Å; I11-V54 HydrophobicContact CD1-CG2 3.63Å; F31-V54 HydrophobicContact CB-CG1 4Å; F31-V54 HydrophobicContact CD2-CG2 4.13Å; F31-V54 HydrophobicContact CE2-CG2 4.37Å; F31-V54 HydrophobicContact CG-CG1 4.1Å; F31-V54 HydrophobicContact CG-CG2 4.44Å; V37-V54 HydrophobicContact CG1-CG1 3.84Å; V37-V54 HydrophobicContact CG2-CG1 4.11Å; I40-V54 HydrophobicContact CG1-CG1 4.28Å; I40-V54 HydrophobicContact CG1-CG2 4.28Å; I40-V54 HydrophobicContact CG2-CG2 4.42Å; V54-F56 HydrophobicContact CG1-CD2 4.4Å; V54-F56 HydrophobicContact CG1-CE2 3.91Å; V54-F56 HydrophobicContact CG1-CZ 4.26Å
55I98.3Very high96.7Very high4 Ų452.3 Ų52.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-109.2115.9-172.6-55164.4000108.1T8 V37 V38 D39 V41 I90 I91T8-I55 HydrophobicContact CG2-CG1 3.82Å; V37-I55 CarbonylContact C-O 3.55Å; V38-I55 HydrophobicContact CB-CG2 4.36Å; V38-I55 PolarHBondContact N-O 3.04Å; D39-I55 HydrophobicContact CB-CD1 4.21Å; D39-I55 WeakPolarHBondContact O-CB 3.44Å; D39-I55 PolarHBondContact O-N 2.8Å; V41-I55 HydrophobicContact CG2-CD1 4.25Å; I55-I90 HydrophobicContact CD1-CG2 3.89Å; I55-I90 HydrophobicContact CG2-CG2 3.78Å; I55-I91 HydrophobicContact CG2-CD1 3.68Å; I55-I91 HydrophobicContact CG2-CG1 3.61Å
56F98.4Very high96.8Very high0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-92.6152.9175.5-74.1-84000111.8H7 I9 F31 F34 V37 V54 A65H7-F56 PolarHBondContact O-N 3.33Å; I9-F56 HydrophobicContact CD1-CE2 3.91Å; I9-F56 HydrophobicContact CG1-CE2 4.28Å; F31-F56 HydrophobicContact CB-CZ 3.85Å; F31-F56 HydrophobicContact CD1-CE2 4.12Å; F31-F56 AromaticContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CG-CZ 4.29Å; F31-F56 WeakPolarHBondContact O-CE1 3.31Å; F34-F56 HydrophobicContact CB-CE1 4.27Å; F34-F56 HydrophobicContact CB-CZ 4.36Å; V37-F56 HydrophobicContact CG2-CD1 4.1Å; V37-F56 HydrophobicContact CG2-CE1 3.69Å; V37-F56 HydrophobicContact CG2-CZ 4.18Å; V54-F56 HydrophobicContact CG1-CD2 4.4Å; V54-F56 HydrophobicContact CG1-CE2 3.91Å; V54-F56 HydrophobicContact CG1-CZ 4.26Å; F56-A65 HydrophobicContact CE2-CB 4Å; F56-A65 HydrophobicContact CZ-CB 3.87Å
57K95.9Very high97.1Very high93 Ų9352.3 Ų52.340%0.40425%0.253SS..SBendtrans-69-40.7170-174.8178171.5-177.60111.3H7 H36 V38 M94H7-K57 PolarHBondContact CD2-O 3.4Å; H36-K57 HydrophobicContact CB-CB 4.24Å; H36-K57 PolarHBondContact O-N 3.31Å; V38-K57 HydrophobicContact CG2-CB 3.79Å; K57-M94 HydrophobicContact CG-CE 4.24Å
58E97.3Very high97.4Very high106 Ų10649.7 Ų49.750%0.49524%0.243SC..SBendtrans-108138.7-176-60.2-56.3142.700112G60 S61 S62E58-G60 VanDerWaalsContact C-N 3.31Å; E58-G60 PolarHBondContact O-N 3.26Å; E58-S61 PolarHBondContact O-N 3.37Å; E58-S62 PolarHBondContact O-N 3.48Å
59L96.6Very high97.6Very high63 Ų6348.2 Ų48.233%0.3324%0.236SC..Hα-helixtrans-64.5-35.9177.1-174.263.5000112.2P5 S61 S62 T63P5-L59 HydrophobicContact CB-CD1 4.02Å; P5-L59 HydrophobicContact CB-CD2 4.36Å; P5-L59 HydrophobicContact CB-CG 4.45Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 3.17Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-OG 3.11Å; L59-T63 PolarHBondContact O-N 2.82Å; L59-T63 PolarHBondContact O-OG1 2.77Å; L59-T63 VanDerWaalsContact O-OG1 3.12Å
60G98Very high97.7Very high52 Ų5247.6 Ų47.654%0.53624%0.238SC..Hα-helixtrans-60.2-43.1177.500000112.5E58 S62 T63 N64E58-G60 VanDerWaalsContact C-N 3.31Å; E58-G60 PolarHBondContact O-N 3.26Å; G60-S62 PolarHBondContact O-N 2.86Å; G60-T63 PolarHBondContact O-N 2.84Å; G60-N64 WeakPolarHBondContact O-CB 3.43Å; G60-N64 PolarHBondContact O-N 2.86Å
61S98.5Very high97.7Very high17 Ų1748.6 Ų48.612%0.11925%0.249CC..Hα-helixtrans-60.1-44.1177.9-62.40000112.6F34 E58 L59 T63 N64 A65F34-S61 WeakPolarHBondContact O-CB 3.31Å; F34-S61 PolarHBondContact O-OG 3.45Å; E58-S61 PolarHBondContact O-N 3.37Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 3.17Å; S61-T63 VanDerWaalsContact C-N 3.31Å; S61-T63 PolarHBondContact O-N 2.94Å; S61-N64 PolarHBondContact O-N 3.03Å; S61-A65 VanDerWaalsContact O-CB 3.29Å; S61-A65 WeakPolarHBondContact O-CB 3.46Å; S61-A65 PolarHBondContact O-N 3.44Å
62S97.9Very high97.7Very high0 Ų050.7 Ų50.70%026%0.257CS..Hα-helixtrans-61.3-39.9177.171.70000112.5N6 E58 L59 G60 L66N6-S62 WeakPolarHBondContact O-CB 3.35Å; N6-S62 PolarHBondContact O-OG 3.24Å; E58-S62 PolarHBondContact O-N 3.48Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-OG 3.11Å; G60-S62 PolarHBondContact O-N 2.86Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.32Å
63T98.1Very high97.7Very high35 Ų3555.3 Ų55.322%0.21529%0.287CS..Hα-helixtrans-69.5-42.4179.3-58.40000111.4L59 G60 S61 R67 Y83L59-T63 PolarHBondContact O-N 2.82Å; L59-T63 PolarHBondContact O-OG1 2.77Å; L59-T63 VanDerWaalsContact O-OG1 3.12Å; G60-T63 PolarHBondContact O-N 2.84Å; S61-T63 VanDerWaalsContact C-N 3.31Å; S61-T63 PolarHBondContact O-N 2.94Å; T63-R67 WeakPolarHBondContact O-CG 3.27Å; T63-R67 PolarHBondContact O-N 2.84Å; T63-Y83 WeakPolarHBondContact CA-OH 3.32Å; T63-Y83 VanDerWaalsContact CB-OH 3.25Å; T63-Y83 WeakPolarHBondContact CB-OH 3.03Å; T63-Y83 VanDerWaalsContact CG2-OH 3.25Å; T63-Y83 WeakPolarHBondContact CG2-OH 3.14Å; T63-Y83 PolarHBondContact OG1-OH 2.82Å
64N98.2Very high97.6Very high70 Ų7053.5 Ų53.537%0.37428%0.279SS..Hα-helixtrans-65.3-48.2178.3-164.218.8000111.2F34 G60 S61 L66 R67 Q68F34-N64 HydrophobicContact CD1-CB 4.46Å; G60-N64 WeakPolarHBondContact O-CB 3.43Å; G60-N64 PolarHBondContact O-N 2.86Å; S61-N64 PolarHBondContact O-N 3.03Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.74Å; N64-R67 PolarHBondContact O-N 3Å; N64-Q68 PolarHBondContact ND2-NE2 2.84Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.45Å; N64-Q68 PolarHBondContact OD1-NE2 3.34Å
65A98.2Very high97.5Very high0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-58.6-43.5176.900000112.4I9 F31 F34 F56 S61 R67 Q68 L69I9-A65 HydrophobicContact CD1-CB 4.44Å; F31-A65 HydrophobicContact CD1-CB 3.81Å; F31-A65 HydrophobicContact CE1-CB 3.96Å; F34-A65 HydrophobicContact CB-CB 3.93Å; F34-A65 HydrophobicContact CD1-CB 4.3Å; F34-A65 HydrophobicContact CD2-CB 3.64Å; F34-A65 HydrophobicContact CE2-CB 4.29Å; F34-A65 HydrophobicContact CG-CB 3.66Å; F56-A65 HydrophobicContact CE2-CB 4Å; F56-A65 HydrophobicContact CZ-CB 3.87Å; S61-A65 VanDerWaalsContact O-CB 3.29Å; S61-A65 WeakPolarHBondContact O-CB 3.46Å; S61-A65 PolarHBondContact O-N 3.44Å; A65-R67 PolarHBondContact O-N 3.29Å; A65-Q68 PolarHBondContact O-N 2.88Å; A65-L69 WeakPolarHBondContact O-CB 3.21Å; A65-L69 PolarHBondContact O-N 3.19Å
66L97.8Very high97.4Very high28 Ų2860.8 Ų60.815%0.14733%0.331CS..Hα-helixtrans-59.8-45.3177.9-177.8155.3000111.8I9 S62 N64 Q70 I81 Y83I9-L66 HydrophobicContact CG2-CB 4.46Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.32Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.74Å; L66-Q70 WeakPolarHBondContact O-CB 3.41Å; L66-Q70 PolarHBondContact O-N 3.15Å; L66-I81 HydrophobicContact CB-CG2 4.09Å; L66-I81 HydrophobicContact CD1-CG2 4.24Å; L66-I81 HydrophobicContact CG-CB 4.36Å; L66-I81 HydrophobicContact CG-CG2 3.93Å; L66-Y83 HydrophobicContact CD1-CD1 4.13Å; L66-Y83 HydrophobicContact CD1-CD2 4Å; L66-Y83 HydrophobicContact CD1-CE1 4.13Å; L66-Y83 HydrophobicContact CD1-CE2 3.96Å; L66-Y83 HydrophobicContact CD1-CG 4.08Å
67R96.8Very high97.3Very high202 Ų20264.1 Ų64.176%0.76235%0.346SS*.Hα-helixtrans-68.7-42.2-178.9-71.8-178.6178-153.6-0.5112.3T63 N64 A65T63-R67 WeakPolarHBondContact O-CG 3.27Å; T63-R67 PolarHBondContact O-N 2.84Å; N64-R67 PolarHBondContact O-N 3Å; A65-R67 PolarHBondContact O-N 3.29Å
68Q97.6Very high97.4Very high116 Ų11663 Ų6354%0.54235%0.348SS..Hα-helixtrans-81.3-33.1-173.8-67.4-164.444.100113.8F34 N64 A65F34-Q68 HydrophobicContact CE1-CB 3.78Å; F34-Q68 HydrophobicContact CE1-CG 4.13Å; F34-Q68 HydrophobicContact CZ-CB 4.07Å; N64-Q68 PolarHBondContact ND2-NE2 2.84Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.45Å; N64-Q68 PolarHBondContact OD1-NE2 3.34Å; A65-Q68 PolarHBondContact O-N 2.88Å
69L97.8Very high97.4Very high9 Ų958 Ų585%0.04733%0.325CS..SBendtrans-100.59.5-176.6-64.6-177.7000114L30 F31 F34 A65 G71 F72 I81L30-L69 HydrophobicContact CD1-CD1 4.36Å; L30-L69 HydrophobicContact CD1-CD2 4.33Å; L30-L69 HydrophobicContact CD2-CD1 3.95Å; L30-L69 HydrophobicContact CG-CD1 3.86Å; F31-L69 HydrophobicContact CD1-CD1 3.84Å; F31-L69 HydrophobicContact CD2-CD1 4.49Å; F31-L69 HydrophobicContact CE1-CD1 3.44Å; F31-L69 VanDerWaalsContact CE1-CD1 3.44Å; F31-L69 HydrophobicContact CE2-CD1 4.13Å; F31-L69 HydrophobicContact CG-CD1 4.37Å; F31-L69 HydrophobicContact CZ-CD1 3.6Å; F34-L69 HydrophobicContact CD2-CD1 4.28Å; F34-L69 HydrophobicContact CE2-CD1 3.36Å; F34-L69 HydrophobicContact CE2-CD2 4.28Å; F34-L69 HydrophobicContact CE2-CG 3.69Å; F34-L69 HydrophobicContact CZ-CD1 3.94Å; F34-L69 HydrophobicContact CZ-CD2 4.09Å; F34-L69 HydrophobicContact CZ-CG 3.7Å; A65-L69 WeakPolarHBondContact O-CB 3.21Å; A65-L69 PolarHBondContact O-N 3.19Å; L69-G71 PolarHBondContact O-N 2.82Å; L69-F72 HydrophobicContact CB-CB 4.22Å; L69-F72 HydrophobicContact CD2-CB 4.04Å; L69-F72 HydrophobicContact CD2-CD2 3.84Å; L69-F72 HydrophobicContact CD2-CE2 4.44Å; L69-F72 HydrophobicContact CD2-CG 3.88Å; L69-F72 VanDerWaalsContact O-CB 3.32Å; L69-F72 WeakPolarHBondContact O-CB 3.29Å; L69-F72 PolarHBondContact O-N 2.78Å; L69-I81 HydrophobicContact CB-CD1 3.57Å; L69-I81 WeakPolarHBondContact O-CD1 3.47Å
70Q97.6Very high97.5Very high97 Ų9762.8 Ų62.845%0.45334%0.338SS..THydrogen-bonded Turntrans-61.8123.2175.3-172.166.6-75.400110.3L66 F72 I81L66-Q70 WeakPolarHBondContact O-CB 3.41Å; L66-Q70 PolarHBondContact O-N 3.15Å; Q70-F72 PolarHBondContact O-N 3.48Å; Q70-I81 PolarHBondContact NE2-O 3.14Å
71G96.1Very high97.5Very high33 Ų3360.4 Ų60.434%0.3431%0.313SS..THydrogen-bonded Turntrans74.23.4-17800000114.8L69 P78 M79L69-G71 PolarHBondContact O-N 2.82Å; G71-P78 WeakPolarHBondContact O-CB 3.37Å; G71-M79 WeakPolarHBondContact CA-O 3.41Å; G71-M79 PolarHBondContact N-O 2.91Å
72F97.6Very high97.4Very high86 Ų8663.7 Ų63.738%0.37733%0.327SS..  trans-58.1128.3-178.3-178.9-88.8000110.9L30 L69 Q70 F74 M79L30-F72 HydrophobicContact CD1-CE1 4.18Å; L30-F72 HydrophobicContact CD1-CZ 4.29Å; L30-F72 HydrophobicContact CD2-CD1 4.16Å; L30-F72 HydrophobicContact CD2-CE1 4.12Å; L69-F72 HydrophobicContact CB-CB 4.22Å; L69-F72 HydrophobicContact CD2-CB 4.04Å; L69-F72 HydrophobicContact CD2-CD2 3.84Å; L69-F72 HydrophobicContact CD2-CE2 4.44Å; L69-F72 HydrophobicContact CD2-CG 3.88Å; L69-F72 VanDerWaalsContact O-CB 3.32Å; L69-F72 WeakPolarHBondContact O-CB 3.29Å; L69-F72 PolarHBondContact O-N 2.78Å; Q70-F72 PolarHBondContact O-N 3.48Å; F72-F74 HydrophobicContact CD1-CB 4.37Å; F72-F74 PolarHBondContact O-N 2.78Å; F72-M79 HydrophobicContact CB-CE 3.75Å; F72-M79 HydrophobicContact CB-CG 4.47Å; F72-M79 HydrophobicContact CD1-CE 3.37Å; F72-M79 HydrophobicContact CE1-CE 4.36Å; F72-M79 HydrophobicContact CG-CE 3.97Å; F72-M79 PolarHBondContact O-N 3.31Å
73P97.5Very high97.4Very high96 Ų9665.2 Ų65.262%0.62333%0.333SS*.EExtended strand (participates in β ladder)trans-64.9116.5177-22.333.8000111.7
74F97.4Very high97.4Very high16 Ų1663.8 Ų63.87%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-131.5114.9-179.7-175.2-104.1000110.1I14 L23 L27 L30 F72 G76 K77 M79I14-F74 HydrophobicContact CG2-CD1 3.86Å; I14-F74 HydrophobicContact CG2-CE1 3.99Å; L23-F74 HydrophobicContact CD1-CE1 3.67Å; L23-F74 HydrophobicContact CD1-CZ 4.3Å; L27-F74 HydrophobicContact CD2-CE1 3.82Å; L27-F74 HydrophobicContact CD2-CE2 4.47Å; L27-F74 HydrophobicContact CD2-CZ 3.79Å; L27-F74 HydrophobicContact CG-CE1 4.11Å; L27-F74 HydrophobicContact CG-CZ 3.91Å; L30-F74 HydrophobicContact CD2-CD2 3.96Å; L30-F74 HydrophobicContact CD2-CE2 4.2Å; F72-F74 HydrophobicContact CD1-CB 4.37Å; F72-F74 PolarHBondContact O-N 2.78Å; F74-G76 VanDerWaalsContact C-N 3.28Å; F74-G76 PolarHBondContact O-N 3.04Å; F74-K77 PolarHBondContact N-O 3.26Å; F74-K77 PolarHBondContact O-N 3.21Å; F74-M79 HydrophobicContact CB-CE 3.5Å; F74-M79 HydrophobicContact CD2-CE 4.22Å; F74-M79 HydrophobicContact CG-CE 3.96Å
75Y96.6Very high97.1Very high79 Ų7969.4 Ų69.431%0.3135%0.345SS..THydrogen-bonded Turntrans51.344.9-170.9-67.3-73.3000113.5N15 I18 S26 K77N15-Y75 PolarHBondContact ND2-O 2.9Å; I18-Y75 HydrophobicContact CD1-CD1 3.58Å; I18-Y75 HydrophobicContact CD1-CD2 4.46Å; I18-Y75 HydrophobicContact CD1-CE1 4Å; I18-Y75 HydrophobicContact CD1-CG 3.83Å; I18-Y75 HydrophobicContact CG1-CD1 4.01Å; I18-Y75 HydrophobicContact CG1-CD2 3.96Å; I18-Y75 HydrophobicContact CG1-CE1 4.43Å; I18-Y75 HydrophobicContact CG1-CE2 4.39Å; I18-Y75 HydrophobicContact CG1-CG 3.75Å; I18-Y75 HydrophobicContact CG2-CE2 4.27Å; S26-Y75 WeakPolarHBondContact CB-OH 2.94Å; S26-Y75 PolarHBondContact OG-OH 3.45Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 2.93Å
76G94.8Very high96.8Very high79 Ų7974.1 Ų74.181%0.81437%0.374SS*.THydrogen-bonded Turntrans78.74.7176.300000115.1F74F74-G76 VanDerWaalsContact C-N 3.28Å; F74-G76 PolarHBondContact O-N 3.04Å
77K97.1Very high96.4Very high70 Ų7075.7 Ų75.730%0.30438%0.383SS..EExtended strand (participates in β ladder)trans-125137.5175.9-65.5-174.967-170.80111.7N13 I14 N15 F74 Y75 M79N13-K77 WeakPolarHBondContact O-CB 3.07Å; N13-K77 VanDerWaalsContact O-CE 3.24Å; N13-K77 WeakPolarHBondContact O-CE 3.24Å; N13-K77 PolarHBondContact O-NZ 3.4Å; N13-K77 WeakPolarHBondContact OD1-CE 3.2Å; N13-K77 PolarHBondContact OD1-NZ 3.03Å; I14-K77 PolarHBondContact O-NZ 3.19Å; N15-K77 HydrophobicContact CB-CD 4.21Å; F74-K77 PolarHBondContact N-O 3.26Å; F74-K77 PolarHBondContact O-N 3.21Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 2.93Å; K77-M79 PolarHBondContact O-N 3.07Å
78P97.4Very high96.2Very high70 Ų7067 Ų6746%0.45535%0.353SS..EExtended strand (participates in β ladder)trans-72114.4174.828.9-32.6000109.6N13 G71N13-P78 PolarHBondContact ND2-O 2.9Å; G71-P78 WeakPolarHBondContact O-CB 3.37Å
79M97.7Very high95.7Very high0 Ų064.8 Ų64.80%035%0.345CS..  trans-72.3147.2-17977.2179.5100.100111.1I11 L30 F31 G71 F72 F74 K77 I81I11-M79 HydrophobicContact CG2-CB 3.87Å; I11-M79 HydrophobicContact CG2-CG 4.25Å; I11-M79 HydrophobicContact CG2-SD 4.06Å; L30-M79 HydrophobicContact CD2-CE 3.52Å; F31-M79 HydrophobicContact CE2-SD 4.23Å; F31-M79 HydrophobicContact CZ-SD 4.01Å; G71-M79 WeakPolarHBondContact CA-O 3.41Å; G71-M79 PolarHBondContact N-O 2.91Å; F72-M79 HydrophobicContact CB-CE 3.75Å; F72-M79 HydrophobicContact CB-CG 4.47Å; F72-M79 HydrophobicContact CD1-CE 3.37Å; F72-M79 HydrophobicContact CE1-CE 4.36Å; F72-M79 HydrophobicContact CG-CE 3.97Å; F72-M79 PolarHBondContact O-N 3.31Å; F74-M79 HydrophobicContact CB-CE 3.5Å; F74-M79 HydrophobicContact CD2-CE 4.22Å; F74-M79 HydrophobicContact CG-CE 3.96Å; K77-M79 PolarHBondContact O-N 3.07Å; M79-I81 HydrophobicContact CG-CD1 4.23Å; M79-I81 HydrophobicContact CG-CG1 4.11Å; M79-I81 HydrophobicContact SD-CD1 4.03Å; M79-I81 HydrophobicContact SD-CG1 4.33Å
80R97.9Very high95.3Very high164 Ų16467.5 Ų67.562%0.61936%0.359SS*.EExtended strand (participates in β ladder)trans-115.2124177.1-81.6-178.9174.2-165.4-2.6109.2I11 N12I11-R80 CarbonylContact C-O 3.56Å; I11-R80 VanDerWaalsContact CA-O 3.3Å; I11-R80 WeakPolarHBondContact CA-O 3.43Å; N12-R80 PolarHBondContact N-O 2.8Å; N12-R80 PolarHBondContact O-N 2.95Å; N12-R80 WeakPolarHBondContact OD1-CB 3.2Å; N12-R80 PolarHBondContact OD1-O 3Å
81I98Very high94.9Very high2 Ų263.1 Ų63.11%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-115.5135.3-172.7-48.4179.6000109.8I9 Y10 I11 F31 L66 L69 Q70 M79I9-I81 HydrophobicContact CB-CG2 3.88Å; I9-I81 HydrophobicContact CD1-CG2 3.94Å; I9-I81 HydrophobicContact CG1-CG2 4.39Å; I9-I81 HydrophobicContact CG2-CG2 4.29Å; Y10-I81 WeakPolarHBondContact O-CA 3.39Å; I11-I81 HydrophobicContact CG1-CG1 4.33Å; I11-I81 HydrophobicContact CG1-CG2 4.44Å; I11-I81 HydrophobicContact CG2-CG1 4.34Å; F31-I81 HydrophobicContact CE1-CD1 4.14Å; F31-I81 HydrophobicContact CZ-CD1 3.89Å; L66-I81 HydrophobicContact CB-CG2 4.09Å; L66-I81 HydrophobicContact CD1-CG2 4.24Å; L66-I81 HydrophobicContact CG-CB 4.36Å; L66-I81 HydrophobicContact CG-CG2 3.93Å; L69-I81 HydrophobicContact CB-CD1 3.57Å; L69-I81 WeakPolarHBondContact O-CD1 3.47Å; Q70-I81 PolarHBondContact NE2-O 3.14Å; M79-I81 HydrophobicContact CG-CD1 4.23Å; M79-I81 HydrophobicContact CG-CG1 4.11Å; M79-I81 HydrophobicContact SD-CD1 4.03Å; M79-I81 HydrophobicContact SD-CG1 4.33Å
82Q98Very high94.6Very high85 Ų8561.8 Ų61.840%0.39732%0.324SS..EExtended strand (participates in β ladder)trans-139.3162.7172.8-64.5175.544.100109.1I9 Y10I9-Q82 CarbonylContact C-O 3.54Å; I9-Q82 WeakPolarHBondContact CA-O 3.35Å; Y10-Q82 PolarHBondContact N-O 3.21Å; Y10-Q82 PolarHBondContact O-N 3.25Å
83Y98.3Very high94.1Very high33 Ų3363.9 Ų63.913%0.12933%0.333CS..EExtended strand (participates in β ladder)trans-67.8148.1166.2-67.3-65.4000110.8P5 N6 I9 T63 L66P5-Y83 HydrophobicContact CB-CE1 4.22Å; P5-Y83 HydrophobicContact CB-CE2 4.24Å; P5-Y83 HydrophobicContact CG-CE2 4.3Å; N6-Y83 HydrophobicContact CB-CD1 4.24Å; N6-Y83 WeakPolarHBondContact O-CD1 3.15Å; I9-Y83 HydrophobicContact CG2-CD1 4.36Å; T63-Y83 WeakPolarHBondContact CA-OH 3.32Å; T63-Y83 VanDerWaalsContact CB-OH 3.25Å; T63-Y83 WeakPolarHBondContact CB-OH 3.03Å; T63-Y83 VanDerWaalsContact CG2-OH 3.25Å; T63-Y83 WeakPolarHBondContact CG2-OH 3.14Å; T63-Y83 PolarHBondContact OG1-OH 2.82Å; L66-Y83 HydrophobicContact CD1-CD1 4.13Å; L66-Y83 HydrophobicContact CD1-CD2 4Å; L66-Y83 HydrophobicContact CD1-CE1 4.13Å; L66-Y83 HydrophobicContact CD1-CE2 3.96Å; L66-Y83 HydrophobicContact CD1-CG 4.08Å
84A96.6Very high93.5Very high5 Ų565.3 Ų65.34%0.04133%0.333CS..  trans-67142.317200000110.8T8 F53 T86T8-A84 HydrophobicContact CG2-CB 3.83Å; T8-A84 VanDerWaalsContact O-CB 3.3Å; T8-A84 WeakPolarHBondContact O-CB 3.44Å; T8-A84 PolarHBondContact O-N 3.4Å; F53-A84 HydrophobicContact CD1-CB 4.32Å; F53-A84 HydrophobicContact CE1-CB 4.36Å; A84-T86 PolarHBondContact O-N 3.08Å
85K93.3Very high92.8Very high187 Ų18771.6 Ų71.681%0.81336%0.356SS*.SBendtrans-66.4-25178.3-61.6-177.7-179.4-177.60113.2
86T91.4Very high91.9Very high99 Ų9970.8 Ų70.861%0.60737%0.372SS*.SBendtrans-140.7150.7-175.360.70000110.4A84A84-T86 PolarHBondContact O-N 3.08Å
87D89.4Confident91Very high61 Ų6170 Ų7033%0.32635%0.352SS..  trans-63.8136175.8-65.5-7.5000112N6 K101N6-D87 PolarHBondContact ND2-OD1 3.37Å; D87-K101 PolarHBondContact O-NZ 2.65Å
88S91.8Very high89.4Confident20 Ų2068.3 Ų68.314%0.1434%0.344CS..  trans-65.8146.5172.5-68.20000111.3T8 I90 I91 S92T8-S88 WeakPolarHBondContact CB-OG 3.42Å; T8-S88 WeakPolarHBondContact CG2-OG 3.19Å; T8-S88 WeakPolarHBondContact OG1-CB 3.27Å; T8-S88 PolarHBondContact OG1-OG 3.42Å; S88-I90 PolarHBondContact O-N 3.25Å; S88-I91 PolarHBondContact O-N 3.36Å; S88-S92 PolarHBondContact O-N 3.45Å; S88-S92 PolarHBondContact O-OG 3.4Å
89D88.2Confident87.8Confident69 Ų6967.7 Ų67.737%0.36935%0.346SS..Hα-helixtrans-56.8-37-175.6-72.7-7.9000112.3S92 K93 F98 K101D89-S92 PolarHBondContact O-N 3.06Å; D89-K93 WeakPolarHBondContact O-CG 3.36Å; D89-K93 PolarHBondContact O-N 2.85Å; D89-F98 HydrophobicContact CB-CE2 3.86Å; D89-K101 IonicContact OD1-NZ 3.79Å; D89-K101 PolarHBondContact OD1-NZ 2.6Å
90I88.8Confident86Confident67 Ų6772.7 Ų72.734%0.34437%0.372SS..Hα-helixtrans-65.9-37.6176.6-166153.7000113.3V38 I55 S88 K93 M94V38-I90 HydrophobicContact CG1-CD1 3.39Å; V38-I90 HydrophobicContact CG1-CG1 3.86Å; V38-I90 HydrophobicContact CG1-CG2 4.33Å; I55-I90 HydrophobicContact CD1-CG2 3.89Å; I55-I90 HydrophobicContact CG2-CG2 3.78Å; S88-I90 PolarHBondContact O-N 3.25Å; I90-K93 PolarHBondContact O-N 2.93Å; I90-M94 WeakPolarHBondContact O-CB 3.22Å; I90-M94 PolarHBondContact O-N 3.04Å
91I89.6Confident84.2Confident4 Ų467.7 Ų67.72%0.02136%0.355CS..Hα-helixtrans-70-40.6176.5-60.9-61.4000110.2H7 I55 S88 K93 M94 R95H7-I91 HydrophobicContact CB-CD1 3.89Å; H7-I91 HydrophobicContact CB-CG1 3.98Å; H7-I91 HydrophobicContact CB-CG2 4.4Å; I55-I91 HydrophobicContact CG2-CD1 3.68Å; I55-I91 HydrophobicContact CG2-CG1 3.61Å; S88-I91 PolarHBondContact O-N 3.36Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 2.66Å; I91-M94 PolarHBondContact O-N 2.81Å; I91-R95 WeakPolarHBondContact O-CB 3.44Å; I91-R95 WeakPolarHBondContact O-CG 3.37Å; I91-R95 PolarHBondContact O-N 3.34Å
92S88.4Confident82.5Confident6 Ų672.5 Ų72.54%0.04238%0.377CS..Hα-helixtrans-62-38.3174.4-590000111.9S88 D89 G96 T97 F98S88-S92 PolarHBondContact O-N 3.45Å; S88-S92 PolarHBondContact O-OG 3.4Å; D89-S92 PolarHBondContact O-N 3.06Å; S92-G96 PolarHBondContact O-N 3.4Å; S92-T97 PolarHBondContact O-N 2.76Å; S92-T97 PolarHBondContact O-OG1 2.88Å; S92-F98 PolarHBondContact O-N 3.27Å; S92-F98 VanDerWaalsContact O-N 3.13Å
93K87.5Confident80.7Confident130 Ų13074.8 Ų74.857%0.56539%0.386SS*.Hα-helixtrans-66.2-47.1173.9-72.4178.3-177-173.20111.9D89 I90 I91 R95 G96 F98D89-K93 WeakPolarHBondContact O-CG 3.36Å; D89-K93 PolarHBondContact O-N 2.85Å; I90-K93 PolarHBondContact O-N 2.93Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 2.66Å; K93-R95 VanDerWaalsContact C-N 3.26Å; K93-R95 PolarHBondContact O-N 2.79Å; K93-G96 PolarHBondContact O-N 2.95Å; K93-G96 VanDerWaalsContact O-N 3.08Å; K93-F98 HydrophobicContact CB-CB 4.44Å; K93-F98 HydrophobicContact CD-CD2 4.3Å; K93-F98 HydrophobicContact CD-CE2 4.36Å; K93-F98 HydrophobicContact CD-CG 4.42Å; K93-F98 HydrophobicContact CG-CB 3.77Å; K93-F98 HydrophobicContact CG-CD1 3.97Å; K93-F98 HydrophobicContact CG-CD2 3.46Å; K93-F98 VanDerWaalsContact CG-CD2 3.46Å; K93-F98 HydrophobicContact CG-CE1 4.42Å; K93-F98 HydrophobicContact CG-CE2 3.99Å; K93-F98 HydrophobicContact CG-CG 3.45Å; K93-F98 VanDerWaalsContact CG-CG 3.45Å; K93-F98 HydrophobicContact CG-CZ 4.44Å
94M84.6Confident79.1Confident125 Ų12582.3 Ų82.362%0.61641%0.414SS*.Hα-helixtrans-62.5-33.2-179.8-170.9176.1177.800112.7K57 I90 I91 G96K57-M94 HydrophobicContact CG-CE 4.24Å; I90-M94 WeakPolarHBondContact O-CB 3.22Å; I90-M94 PolarHBondContact O-N 3.04Å; I91-M94 PolarHBondContact O-N 2.81Å; M94-G96 VanDerWaalsContact C-N 3.34Å
95R82.6Confident77.6Confident148 Ų14887.3 Ų87.356%0.55844%0.435SS*.THydrogen-bonded Turntrans-84.3-3.4176.7-70-179.6169.1-131.3-13.4114.3H7 I91 K93 T97H7-R95 PolarHBondContact CE1-NH2 3.08Å; H7-R95 PolarHBondContact NE2-NH2 3.44Å; I91-R95 WeakPolarHBondContact O-CB 3.44Å; I91-R95 WeakPolarHBondContact O-CG 3.37Å; I91-R95 PolarHBondContact O-N 3.34Å; K93-R95 VanDerWaalsContact C-N 3.26Å; K93-R95 PolarHBondContact O-N 2.79Å; R95-T97 HydrophobicContact CB-CG2 4.35Å; R95-T97 PolarHBondContact O-N 2.75Å
96G79.5Confident76.3Confident63 Ų6384.4 Ų84.465%0.64942%0.424SS*.THydrogen-bonded Turntrans72.75.5-175.900000115.1S92 K93 M94 F98S92-G96 PolarHBondContact O-N 3.4Å; K93-G96 PolarHBondContact O-N 2.95Å; K93-G96 VanDerWaalsContact O-N 3.08Å; M94-G96 VanDerWaalsContact C-N 3.34Å; G96-F98 VanDerWaalsContact C-N 3.34Å
97T75.3Confident75.1Confident62 Ų6286.8 Ų86.838%0.3843%0.426SS..  trans-90.34.5-178.6610000113.6S92 R95 A99 D100S92-T97 PolarHBondContact O-N 2.76Å; S92-T97 PolarHBondContact O-OG1 2.88Å; R95-T97 HydrophobicContact CB-CG2 4.35Å; R95-T97 PolarHBondContact O-N 2.75Å; T97-A99 PolarHBondContact O-N 2.89Å; T97-D100 PolarHBondContact O-N 2.83Å
98F64.3Low74.1Confident34 Ų3491.9 Ų91.915%0.14945%0.445CS..Hα-helixtrans-65.3-35.6-175.8-166.8-103.3000113.4D89 S92 K93 G96 D100 K101 E102D89-F98 HydrophobicContact CB-CE2 3.86Å; S92-F98 PolarHBondContact O-N 3.27Å; S92-F98 VanDerWaalsContact O-N 3.13Å; K93-F98 HydrophobicContact CB-CB 4.44Å; K93-F98 HydrophobicContact CD-CD2 4.3Å; K93-F98 HydrophobicContact CD-CE2 4.36Å; K93-F98 HydrophobicContact CD-CG 4.42Å; K93-F98 HydrophobicContact CG-CB 3.77Å; K93-F98 HydrophobicContact CG-CD1 3.97Å; K93-F98 HydrophobicContact CG-CD2 3.46Å; K93-F98 VanDerWaalsContact CG-CD2 3.46Å; K93-F98 HydrophobicContact CG-CE1 4.42Å; K93-F98 HydrophobicContact CG-CE2 3.99Å; K93-F98 HydrophobicContact CG-CG 3.45Å; K93-F98 VanDerWaalsContact CG-CG 3.45Å; K93-F98 HydrophobicContact CG-CZ 4.44Å; G96-F98 VanDerWaalsContact C-N 3.34Å; F98-D100 PolarHBondContact O-N 2.91Å; F98-K101 WeakPolarHBondContact O-CB 3.41Å; F98-K101 PolarHBondContact O-N 3.36Å; F98-E102 HydrophobicContact CD1-CG 4.13Å; F98-E102 VanDerWaalsContact CE1-CD 3.48Å; F98-E102 HydrophobicContact CE1-CG 3.67Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.36Å; F98-E102 HydrophobicContact CZ-CG 4.24Å; F98-E102 PolarHBondContact O-N 3.27Å
99A62.3Low73.1Confident58 Ų5897.6 Ų97.648%0.47947%0.468SS..Hα-helixtrans-59.5-34.8-179.600000112.6T97 K101 E102 K103T97-A99 PolarHBondContact O-N 2.89Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.19Å; A99-E102 PolarHBondContact O-N 3.3Å; A99-K103 WeakPolarHBondContact O-CB 3.41Å; A99-K103 WeakPolarHBondContact O-CG 3.3Å; A99-K103 PolarHBondContact O-N 3.43Å
100D59.5Low72Confident104 Ų10496.9 Ų96.956%0.55647%0.471SS*.Hα-helixtrans-69.5-30.1176.2-69.5-40.1000112.5T97 F98 R104T97-D100 PolarHBondContact O-N 2.83Å; F98-D100 PolarHBondContact O-N 2.91Å; D100-R104 VanDerWaalsContact O-CB 3.3Å; D100-R104 WeakPolarHBondContact O-CB 3.44Å; D100-R104 VanDerWaalsContact O-CG 3.24Å; D100-R104 WeakPolarHBondContact O-CG 3.32Å; D100-R104 PolarHBondContact O-N 3.38Å
101K59.9Low71Confident59 Ų59100.3 Ų100.326%0.25748%0.484SS..Hα-helixtrans-76.6-37.7177.9-156.9178.8-173.1-1770111.3D87 D89 F98 A99 R104 K105D87-K101 PolarHBondContact O-NZ 2.65Å; D89-K101 IonicContact OD1-NZ 3.79Å; D89-K101 PolarHBondContact OD1-NZ 2.6Å; F98-K101 WeakPolarHBondContact O-CB 3.41Å; F98-K101 PolarHBondContact O-N 3.36Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.19Å; K101-R104 PolarHBondContact O-N 3.34Å; K101-K105 WeakPolarHBondContact O-CB 3.49Å; K101-K105 WeakPolarHBondContact O-CG 3.36Å; K101-K105 PolarHBondContact O-N 3.32Å
102E62.8Low70Confident104 Ų104103.1 Ų103.149%0.48650%0.504SS..Hα-helixtrans-66.7-48.7171.5-77.7-166.4118.900111.6F98 A99 R104 K105 E106F98-E102 HydrophobicContact CD1-CG 4.13Å; F98-E102 VanDerWaalsContact CE1-CD 3.48Å; F98-E102 HydrophobicContact CE1-CG 3.67Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.36Å; F98-E102 HydrophobicContact CZ-CG 4.24Å; F98-E102 PolarHBondContact O-N 3.27Å; A99-E102 PolarHBondContact O-N 3.3Å; E102-R104 PolarHBondContact O-N 3.27Å; E102-K105 CarbonylContact O-C 3.53Å; E102-K105 WeakPolarHBondContact O-CA 3.22Å; E102-K105 PolarHBondContact O-N 3.26Å; E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.18Å
103K61Low69Low133 Ų133108.5 Ų108.558%0.57853%0.531SS*.Hα-helixtrans-57.1-35.3173.3-76.1-179.5178.9178.60112.5A99 K107A99-K103 WeakPolarHBondContact O-CB 3.41Å; A99-K103 WeakPolarHBondContact O-CG 3.3Å; A99-K103 PolarHBondContact O-N 3.43Å; K103-K107 WeakPolarHBondContact O-CB 3.41Å; K103-K107 VanDerWaalsContact O-CG 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.17Å; K103-K107 PolarHBondContact O-N 3.42Å
104R64.4Low67.6Low191 Ų191108.3 Ų108.372%0.72153%0.533SS*.Hα-helixtrans-69.6-40.5172.6-82.5176.2173.5-169.1-1.2112.9D100 K101 E102 K108D100-R104 VanDerWaalsContact O-CB 3.3Å; D100-R104 WeakPolarHBondContact O-CB 3.44Å; D100-R104 VanDerWaalsContact O-CG 3.24Å; D100-R104 WeakPolarHBondContact O-CG 3.32Å; D100-R104 PolarHBondContact O-N 3.38Å; K101-R104 PolarHBondContact O-N 3.34Å; E102-R104 PolarHBondContact O-N 3.27Å; R104-K108 WeakPolarHBondContact O-CG 3.33Å; R104-K108 PolarHBondContact O-N 3.37Å
105K65.8Low66.4Low109 Ų109108.5 Ų108.547%0.47453%0.532SS..Hα-helixtrans-67.6-39.6175-81.6-178.8179.5174.60111.4K101 E102 K108 K109K101-K105 WeakPolarHBondContact O-CB 3.49Å; K101-K105 WeakPolarHBondContact O-CG 3.36Å; K101-K105 PolarHBondContact O-N 3.32Å; E102-K105 CarbonylContact O-C 3.53Å; E102-K105 WeakPolarHBondContact O-CA 3.22Å; E102-K105 PolarHBondContact O-N 3.26Å; K105-K108 PolarHBondContact O-N 3.4Å; K105-K109 WeakPolarHBondContact O-CB 3.38Å; K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 3.48Å
106E65.3Low65.3Low127 Ų127104.3 Ų104.359%0.59353%0.529SS*.Hα-helixtrans-65.8-44.9173.7-78.5-179.1153.600111.4E102 K108 K109 A110E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.18Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.73Å; E106-K109 CarbonylContact O-C 3.56Å; E106-K109 PolarHBondContact O-N 3.01Å; E106-K109 VanDerWaalsContact O-N 3.16Å; E106-A110 WeakPolarHBondContact O-CB 2.93Å; E106-A110 PolarHBondContact O-N 3.2Å
107K66.9Low64.2Low149 Ų149103.8 Ų103.865%0.64852%0.518SS*.Hα-helixtrans-59.8-36.9172.6-79.7-178.6178.3-174.70112.4K103 K111K103-K107 WeakPolarHBondContact O-CB 3.41Å; K103-K107 VanDerWaalsContact O-CG 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.17Å; K103-K107 PolarHBondContact O-N 3.42Å; K107-K111 WeakPolarHBondContact O-CB 3.25Å; K107-K111 VanDerWaalsContact O-CG 3.24Å; K107-K111 WeakPolarHBondContact O-CG 3.47Å; K107-K111 PolarHBondContact O-N 2.74Å
108K68Low63.1Low167 Ų167105.9 Ų105.973%0.72653%0.527SS*.Hα-helixtrans-69.9-41.3173.9-77.9-171175.3-166.50112.4R104 K105 E106 S112R104-K108 WeakPolarHBondContact O-CG 3.33Å; R104-K108 PolarHBondContact O-N 3.37Å; K105-K108 PolarHBondContact O-N 3.4Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.73Å; K108-S112 PolarHBondContact O-N 3.18Å; K108-S112 PolarHBondContact O-OG 3.03Å
109K70.1Confident62.7Low141 Ų141107 Ų10761%0.61354%0.542SS*.Hα-helixtrans-68-44176.8-79.9-175.2175.5-174.30112.3K105 E106 S112 L113K105-K109 WeakPolarHBondContact O-CB 3.38Å; K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 3.48Å; E106-K109 CarbonylContact O-C 3.56Å; E106-K109 PolarHBondContact O-N 3.01Å; E106-K109 VanDerWaalsContact O-N 3.16Å; K109-S112 WeakPolarHBondContact CA-OG 3.38Å; K109-S112 CarbonylContact O-C 3.6Å; K109-S112 PolarHBondContact O-N 3.24Å; K109-S112 VanDerWaalsContact O-N 3.16Å; K109-S112 PolarHBondContact O-OG 2.76Å; K109-L113 WeakPolarHBondContact O-CB 3.4Å; K109-L113 WeakPolarHBondContact O-CD1 3.45Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 3.4Å
110A65.3Low62Low53 Ų53107 Ų10744%0.43854%0.543SS..Hα-helixtrans-61-45.5175.700000110.6E106 S112 L113 E114E106-A110 WeakPolarHBondContact O-CB 2.93Å; E106-A110 PolarHBondContact O-N 3.2Å; A110-S112 VanDerWaalsContact C-N 3.31Å; A110-S112 PolarHBondContact O-N 3.39Å; A110-L113 PolarHBondContact O-N 3.47Å; A110-E114 VanDerWaalsContact O-CB 3.27Å; A110-E114 WeakPolarHBondContact O-CB 3.32Å; A110-E114 PolarHBondContact O-N 3.32Å
111K67.4Low61.3Low140 Ų140107.4 Ų107.461%0.60955%0.545SS*.Hα-helixtrans-59.5-39.8172.5-77.7-177.8176.3-165.50112.7K107 Q115K107-K111 WeakPolarHBondContact O-CB 3.25Å; K107-K111 VanDerWaalsContact O-CG 3.24Å; K107-K111 WeakPolarHBondContact O-CG 3.47Å; K107-K111 PolarHBondContact O-N 2.74Å; K111-Q115 WeakPolarHBondContact O-CB 3.29Å; K111-Q115 WeakPolarHBondContact O-CG 3.41Å; K111-Q115 PolarHBondContact O-N 2.98Å; K111-Q115 VanDerWaalsContact O-N 3.1Å
112S68.9Low60.8Low63 Ų63112.1 Ų112.144%0.44157%0.566SS.*Hα-helixtrans-71.9-31.8176.162.40000114K108 K109 A110 A116K108-S112 PolarHBondContact O-N 3.18Å; K108-S112 PolarHBondContact O-OG 3.03Å; K109-S112 WeakPolarHBondContact CA-OG 3.38Å; K109-S112 CarbonylContact O-C 3.6Å; K109-S112 PolarHBondContact O-N 3.24Å; K109-S112 VanDerWaalsContact O-N 3.16Å; K109-S112 PolarHBondContact O-OG 2.76Å; A110-S112 VanDerWaalsContact C-N 3.31Å; A110-S112 PolarHBondContact O-N 3.39Å; S112-A116 WeakPolarHBondContact O-CB 3.25Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-A116 VanDerWaalsContact O-N 3.11Å
113L66.8Low59.9Low119 Ų119115.8 Ų115.862%0.62358%0.58SS**Hα-helixtrans-76.3-39.2178-78.3156.3000111.6K109 A110 A116 A117K109-L113 WeakPolarHBondContact O-CB 3.4Å; K109-L113 WeakPolarHBondContact O-CD1 3.45Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 3.4Å; A110-L113 PolarHBondContact O-N 3.47Å; L113-A116 PolarHBondContact O-N 2.93Å; L113-A117 WeakPolarHBondContact O-CB 3.34Å; L113-A117 PolarHBondContact O-N 2.98Å
114E59.9Low59Low126 Ų126116.3 Ų116.359%0.58959%0.588SS**Hα-helixtrans-67.1-38.6174.8-168.6179179.500111.2A110 A117 N118A110-E114 VanDerWaalsContact O-CB 3.27Å; A110-E114 WeakPolarHBondContact O-CB 3.32Å; A110-E114 PolarHBondContact O-N 3.32Å; E114-A117 PolarHBondContact O-N 2.89Å; E114-N118 WeakPolarHBondContact O-CB 3.3Å; E114-N118 PolarHBondContact O-N 2.95Å; E114-N118 PolarHBondContact O-ND2 3.41Å
115Q58.8Low57.8Low129 Ų129114.7 Ų114.760%0.60359%0.592SS**Hα-helixtrans-64.1-37.4171.1-76.6171.4-10.400112.4K111 A119K111-Q115 WeakPolarHBondContact O-CB 3.29Å; K111-Q115 WeakPolarHBondContact O-CG 3.41Å; K111-Q115 PolarHBondContact O-N 2.98Å; K111-Q115 VanDerWaalsContact O-N 3.1Å; Q115-A119 PolarHBondContact O-N 2.85Å
116A59.6Low56.6Low60 Ų60117.9 Ų117.950%0.49661%0.609SS.*Hα-helixtrans-73-37.417600000113.5S112 L113 A119 A120S112-A116 WeakPolarHBondContact O-CB 3.25Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-A116 VanDerWaalsContact O-N 3.11Å; L113-A116 PolarHBondContact O-N 2.93Å; A116-A119 PolarHBondContact O-N 2.83Å; A116-A120 PolarHBondContact O-N 3.5Å
117A54.9Low55.1Low52 Ų52115.3 Ų115.343%0.4362%0.617SS.*Hα-helixtrans-70.9-37.9178.400000112.5L113 E114 A119 A120 N121L113-A117 WeakPolarHBondContact O-CB 3.34Å; L113-A117 PolarHBondContact O-N 2.98Å; E114-A117 PolarHBondContact O-N 2.89Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.06Å; A117-A120 PolarHBondContact O-N 3.25Å; A117-N121 PolarHBondContact O-N 3.13Å
118N53.8Low53.3Low106 Ų106112.5 Ų112.557%0.56762%0.621SS**Hα-helixtrans-68.1-27174.9-76.1-27.6000112.9E114E114-N118 WeakPolarHBondContact O-CB 3.3Å; E114-N118 PolarHBondContact O-N 2.95Å; E114-N118 PolarHBondContact O-ND2 3.41Å
119A55.4Low51.3Low56 Ų56110.8 Ų110.846%0.46363%0.625SS.*Hα-helixtrans-72.4-29.7171.900000113Q115 A116 A117Q115-A119 PolarHBondContact O-N 2.85Å; A116-A119 PolarHBondContact O-N 2.83Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.06Å
120A46.9Very low49.5Very low60 Ų60113 Ų11350%0.49664%0.637SS.*Hα-helixtrans-77-39.9179.600000113.2A116 A117 K122 K123A116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 3.25Å; A120-K122 VanDerWaalsContact C-N 3.3Å; A120-K122 PolarHBondContact O-N 2.89Å; A120-K123 WeakPolarHBondContact O-CB 3.34Å; A120-K123 PolarHBondContact O-N 3.38Å
121N46.3Very low47.8Very low111 Ų111117.9 Ų117.959%0.59466%0.656SS**Hα-helixtrans-68.7-24.9179.2-86.9-30.9000113.7A117 K123A117-N121 PolarHBondContact O-N 3.13Å; N121-K123 PolarHBondContact O-N 2.87Å
122K48.7Very low46Very low159 Ų159116.6 Ų116.669%0.69167%0.665SS**THydrogen-bonded Turntrans-72.8-12.2175.4-155.2175.5-177.4178.50113.2A120A120-K122 VanDerWaalsContact C-N 3.3Å; A120-K122 PolarHBondContact O-N 2.89Å
123K44.5Very low44.1Very low181 Ų181118.2 Ų118.279%0.78768%0.682SS**THydrogen-bonded Turntrans-90.4-13.9-175.3-141.2-179.5-175-173.60114.5A120 N121A120-K123 WeakPolarHBondContact O-CB 3.34Å; A120-K123 PolarHBondContact O-N 3.38Å; N121-K123 PolarHBondContact O-N 2.87Å
124I40.6Very low42.3Very low144 Ų144120.1 Ų120.174%0.73869%0.693SS**SBendtrans-90.5-19.4-176.5-63.6-170.1000112.9
125L39.1Very low41Very low157 Ų157117.5 Ų117.582%0.82269%0.693SS**SBendtrans-92.4-1.2-174.9-80146000115.7
126Q41.4Very low39.4Very low175 Ų175120.9 Ų120.982%0.81871%0.709SS**SBendtrans-127.845.4-176.2-79.4-176.8-6.200113.1
127G33.5Very low37.8Very low74 Ų74121.2 Ų121.276%0.76372%0.717SS**  trans-128.662-176.700000114
128A29Very low36.4Very low89 Ų89125.3 Ų125.374%0.73674%0.737SS**  trans-152.785.6165.300000111.6
129T27.1Very low35.2Very low132 Ų132125.3 Ų125.381%0.8175%0.746SS**  trans-177.9125131.515.30000113.2
130Q31.7Very low34.2Very low187 Ų187128.1 Ų128.187%0.87476%0.762SS**  trans83.4121.6139-73.9173.9-7.300123.4
131N28.6Very low33.4Very low155 Ų155134.4 Ų134.483%0.82978%0.781SS**  trans-60.2150164-66.1-31.8000114.3
132S31.1Very low32.7Very low113 Ų113136.2 Ų136.279%0.7979%0.791SS**  158.2129.4104.3-83.70000114.3
133A28Very low32.1Very low97 Ų97136.8 Ų136.880%0.80280%0.796SS**  trans61.1120.5134.200000124.1
134N29.8Very low31.8Very low160 Ų160136.9 Ų136.986%0.85680%0.799SS**  101.4121.2123-130.816.2000123.4
135A31.3Very low32.2Very low71 Ų71133 Ų13359%0.58778%0.782SS**  trans49.3128.1138.400000125.4
136Q25.3Very low32.9Very low200 Ų200130.1 Ų130.194%0.93577%0.773SS**  trans72.2130.8134-77.2173.7-170.100122.4
137G26Very low33.9Very low66 Ų66126.7 Ų126.768%0.6876%0.76SS**  trans120.799.7135.100000119.3
138T26.8Very low36.1Very low138 Ų138124.4 Ų124.485%0.84773%0.73SS**  trans51.8134.6135.243.90000124.5
139S27.3Very low38.7Very low107 Ų107124.4 Ų124.475%0.74872%0.723SS**  trans82.9113.5146.560.70000122
140S35.3Very low41.6Very low115 Ų115121.3 Ų121.380%0.80471%0.705SS**  trans51129.6133.8-53.50000122.5
141Q29.6Very low44.4Very low192 Ų192113.1 Ų113.190%0.89767%0.667SS**  trans101.2131.5155.5-59.6-168.5-500118.3
142N32.5Very low47.5Very low148 Ų148110 Ų11079%0.79164%0.644SS**  trans56.985.7173.1-87.4-13.1000117.7Q144N142-Q144 PolarHBondContact O-N 3.17Å
143Q34.8Very low50.5Low172 Ų172106.3 Ų106.380%0.80462%0.615SS**  trans-64.388156-78.3178.4-4.900110V145 K220Q143-V145 PolarHBondContact O-N 3.16Å; Q143-K220 PolarHBondContact O-NZ 3.08Å
144Q39.6Very low53.7Low183 Ų183101.7 Ų101.786%0.85558%0.577SS**  trans-74.5105157-134161.910.600106.1N142N142-Q144 PolarHBondContact O-N 3.17Å
145V48Very low56.8Low63 Ų6396.3 Ų96.338%0.38255%0.546SS..  trans-69.3133.2177.1-124.30000107.6Q143 D147 T222Q143-V145 PolarHBondContact O-N 3.16Å; V145-D147 PolarHBondContact O-N 3.32Å; V145-T222 HydrophobicContact CB-CG2 4.18Å; V145-T222 HydrophobicContact CG2-CG2 4.18Å
146P53.7Low59.8Low96 Ų9692.9 Ų92.962%0.62352%0.518SS*.  trans-54.4134-177.7-24.732.2000111.6N148P146-N148 PolarHBondContact O-N 2.82Å; P146-N148 VanDerWaalsContact O-N 3.12Å
147D62.3Low63Low103 Ų10384.9 Ų84.955%0.55148%0.482SS*.  trans-70.5109.2176.9-153.310.7000108.6V145 R205V145-D147 PolarHBondContact O-N 3.32Å; D147-R205 IonicContact OD1-CZ 3.57Å; D147-R205 IonicContact OD1-NE 3.62Å; D147-R205 IonicContact OD1-NH2 2.71Å; D147-R205 PolarHBondContact OD1-NH2 2.74Å; D147-R205 IonicContact OD2-CZ 3.91Å; D147-R205 IonicContact OD2-NH2 2.89Å; D147-R205 PolarHBondContact OD2-NH2 3.43Å
148N79.8Confident66.1Low26 Ų2685.2 Ų85.214%0.13947%0.468CS..PPolyproline II helixtrans-72.6151.5176.6-62.8-45.4000108.5P146 Y223 K225P146-N148 PolarHBondContact O-N 2.82Å; P146-N148 VanDerWaalsContact O-N 3.12Å; N148-Y223 WeakPolarHBondContact CB-O 3.39Å; N148-Y223 PolarHBondContact ND2-O 3.29Å; N148-Y223 VanDerWaalsContact O-CD2 3.29Å; N148-Y223 WeakPolarHBondContact O-CD2 3.46Å; N148-K225 WeakPolarHBondContact ND2-CG 3.29Å
149P84.5Confident69.2Low89 Ų8979 Ų7958%0.57843%0.429SS*.PPolyproline II helixtrans-53.1150.3174.6-24.933.3000111.8N151 Y223P149-N151 PolarHBondContact O-N 3.04Å; P149-Y223 WeakPolarHBondContact O-CB 3.29Å
150P87.9Confident72.1Confident66 Ų6674 Ų7443%0.42940%0.395SS..PPolyproline II helixtrans-47.3137.5179.4-30.435.9000113.4E198 Y223P150-E198 HydrophobicContact CB-CB 4.36Å; P150-Y223 HydrophobicContact CB-CE1 4.47Å; P150-Y223 HydrophobicContact CB-CE2 4.4Å; P150-Y223 HydrophobicContact CG-CE2 4.38Å
151N91Very high74.4Confident15 Ų1575.9 Ų75.98%0.0839%0.391CS..  trans-148.8148-177.2-162.8-20.8000109P149 I153 A201 Y223 A224P149-N151 PolarHBondContact O-N 3.04Å; N151-I153 PolarHBondContact O-N 3.1Å; N151-I153 PolarHBondContact OD1-N 2.83Å; N151-A201 VanDerWaalsContact O-CB 3.31Å; N151-A201 WeakPolarHBondContact O-CB 3.31Å; N151-Y223 HydrophobicContact CB-CD1 4.1Å; N151-Y223 HydrophobicContact CB-CG 4.43Å; N151-Y223 WeakPolarHBondContact O-CD1 3.24Å; N151-Y223 VanDerWaalsContact O-CE1 3.31Å; N151-Y223 WeakPolarHBondContact O-CE1 3.44Å; N151-A224 PolarHBondContact ND2-O 3.32Å
152Y92.7Very high77Confident89 Ų8973.9 Ų73.935%0.34938%0.381SS..SBendtrans-75.5-5.4173.864.2-87.8000112.5E194 F195Y152-E194 HydrophobicContact CD2-CG 3.8Å; Y152-E194 HydrophobicContact CE2-CG 3.93Å; Y152-F195 WeakPolarHBondContact CD2-O 3.44Å; Y152-F195 PolarHBondContact O-N 3.18Å
153I94.1Very high79.6Confident36 Ų3667.1 Ų67.119%0.18535%0.345CS..EExtended strand (participates in β ladder)trans-107.9128.7173.2-54.9176.2000109.5N151 F192 V193 E194 A224N151-I153 PolarHBondContact O-N 3.1Å; N151-I153 PolarHBondContact OD1-N 2.83Å; I153-F192 HydrophobicContact CG2-CB 4.22Å; I153-F192 HydrophobicContact CG2-CD1 3.95Å; I153-V193 CarbonylContact C-O 3.39Å; I153-V193 WeakPolarHBondContact CA-O 3.47Å; I153-E194 HydrophobicContact CG1-CG 4.14Å; I153-A224 HydrophobicContact CB-CB 3.85Å; I153-A224 HydrophobicContact CG2-CB 3.67Å; I153-A224 WeakPolarHBondContact O-CB 3.34Å; I153-A224 PolarHBondContact O-N 3.11Å
154L94.4Very high82.1Confident0 Ų062.4 Ų62.40%033%0.326CS..EExtended strand (participates in β ladder)trans-96.8140.7171.4-58.4178.6000110.5L156 F172 F192 V193 F195 A201 A204 R205 I221 T222 Y223L154-L156 HydrophobicContact CB-CD1 4.01Å; L154-F172 HydrophobicContact CD1-CE1 3.99Å; L154-F192 CarbonylContact O-C 3.58Å; L154-F192 VanDerWaalsContact O-CA 3.27Å; L154-F192 WeakPolarHBondContact O-CA 3.3Å; L154-V193 HydrophobicContact CB-CB 4.38Å; L154-V193 PolarHBondContact N-O 3.37Å; L154-V193 PolarHBondContact O-N 2.92Å; L154-F195 HydrophobicContact CD1-CD2 4.33Å; L154-F195 HydrophobicContact CD1-CE2 3.89Å; L154-A201 WeakPolarHBondContact CD1-O 3.24Å; L154-A201 HydrophobicContact CD2-CB 4Å; L154-A201 HydrophobicContact CG-CB 4.11Å; L154-A204 HydrophobicContact CD1-CB 4.19Å; L154-R205 HydrophobicContact CD1-CB 4.18Å; L154-R205 HydrophobicContact CD2-CB 3.91Å; L154-I221 HydrophobicContact CB-CG2 3.94Å; L154-I221 HydrophobicContact CD1-CG2 3.95Å; L154-I221 HydrophobicContact CD2-CG2 4.2Å; L154-I221 HydrophobicContact CG-CG2 4.25Å; L154-T222 CarbonylContact C-O 3.55Å; L154-T222 WeakPolarHBondContact CA-O 3.48Å; L154-Y223 HydrophobicContact CD2-CD1 3.82Å; L154-Y223 HydrophobicContact CD2-CE1 4.02Å
155F95.7Very high84.5Confident47 Ų4758.8 Ų58.821%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-103.6122.8169.6173.8-105.5000108.9N157 I190 F192 I221 T222 A224F155-N157 HydrophobicContact CE1-CB 3.78Å; F155-N157 HydrophobicContact CZ-CB 4.02Å; F155-I190 HydrophobicContact CE2-CB 4Å; F155-I190 HydrophobicContact CE2-CG2 4.08Å; F155-I190 HydrophobicContact CZ-CB 4.27Å; F155-I190 HydrophobicContact CZ-CG2 3.83Å; F155-F192 HydrophobicContact CB-CD1 4.5Å; F155-F192 HydrophobicContact CB-CE1 4.3Å; F155-F192 HydrophobicContact CD2-CD1 4.26Å; F155-F192 AromaticContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE2 4.42Å; F155-F192 AromaticContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CE2-CZ 4.21Å; F155-F192 HydrophobicContact CG-CE1 4.43Å; F155-I221 WeakPolarHBondContact O-CA 3.45Å; F155-T222 PolarHBondContact N-O 3.16Å; F155-T222 PolarHBondContact O-N 3.3Å; F155-A224 HydrophobicContact CB-CB 4.45Å
156L94.5Very high86.3Confident0 Ų061.8 Ų61.80%032%0.32CS..EExtended strand (participates in β ladder)trans-105.7135.1178.9-69.262.6000107.6L154 L159 L168 F172 I190 A191 V193 M219 K220 I221L154-L156 HydrophobicContact CB-CD1 4.01Å; L156-L159 HydrophobicContact CB-CD1 4.25Å; L156-L159 HydrophobicContact CB-CD2 4.36Å; L156-L159 HydrophobicContact CD2-CD2 4.47Å; L156-L168 HydrophobicContact CD2-CD1 4.43Å; L156-L168 HydrophobicContact CD2-CD2 4.09Å; L156-F172 HydrophobicContact CD1-CZ 4.3Å; L156-F172 HydrophobicContact CD2-CE2 3.58Å; L156-F172 HydrophobicContact CD2-CZ 3.72Å; L156-F172 HydrophobicContact CG-CZ 4.21Å; L156-I190 WeakPolarHBondContact O-CA 3.39Å; L156-A191 HydrophobicContact CB-CB 4.24Å; L156-A191 HydrophobicContact CD2-CB 4.36Å; L156-A191 PolarHBondContact N-O 3.19Å; L156-A191 PolarHBondContact O-N 2.89Å; L156-V193 HydrophobicContact CD1-CB 4.14Å; L156-V193 HydrophobicContact CD1-CG2 3.52Å; L156-V193 HydrophobicContact CD2-CG2 3.87Å; L156-V193 HydrophobicContact CG-CG2 4.38Å; L156-M219 HydrophobicContact CD2-SD 4.31Å; L156-K220 WeakPolarHBondContact CA-O 3.44Å; L156-I221 HydrophobicContact CG-CG1 4.49Å
157N92.5Very high87.9Confident32 Ų3261.3 Ų61.317%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-136.7171.2168.964-9.9000111.5F155 D189 I190 K220F155-N157 HydrophobicContact CE1-CB 3.78Å; F155-N157 HydrophobicContact CZ-CB 4.02Å; N157-D189 CarbonylContact C-O 3.44Å; N157-D189 VanDerWaalsContact CA-O 3.29Å; N157-D189 WeakPolarHBondContact CA-O 3.47Å; N157-I190 HydrophobicContact CB-CG2 4.02Å; N157-K220 PolarHBondContact N-O 3.49Å; N157-K220 PolarHBondContact O-N 2.96Å; N157-K220 WeakPolarHBondContact OD1-CB 3.35Å; N157-K220 PolarHBondContact OD1-O 3.07Å; N157-K220 VanDerWaalsContact OD1-O 3.11Å
158N90.8Very high89.4Confident72 Ų7256.5 Ų56.539%0.38529%0.285SS..SBendtrans64.338.7-174.2-161.149.4000113D189 A218N158-D189 PolarHBondContact N-O 2.64Å; N158-D189 VanDerWaalsContact N-O 3.09Å; N158-A218 PolarHBondContact ND2-O 3.38Å
159L91.6Very high89.9Confident7 Ų756.7 Ų56.74%0.03729%0.288CS..  trans-82.7139.7173.7-55.9175.8000110.7L156 T163 L168 D189 A191 I213 M219L156-L159 HydrophobicContact CB-CD1 4.25Å; L156-L159 HydrophobicContact CB-CD2 4.36Å; L156-L159 HydrophobicContact CD2-CD2 4.47Å; L159-T163 HydrophobicContact CB-CG2 4.39Å; L159-T163 HydrophobicContact CD1-CG2 4.5Å; L159-L168 HydrophobicContact CD1-CD1 4.02Å; L159-L168 HydrophobicContact CD2-CD2 4.31Å; L159-D189 PolarHBondContact N-O 3.39Å; L159-D189 VanDerWaalsContact N-O 3.09Å; L159-D189 WeakPolarHBondContact O-CA 3.35Å; L159-A191 HydrophobicContact CD1-CB 3.68Å; L159-I213 HydrophobicContact CD2-CD1 3.46Å; L159-I213 VanDerWaalsContact CD2-CD1 3.46Å; L159-M219 HydrophobicContact CD2-CB 3.83Å; L159-M219 HydrophobicContact CD2-SD 4.41Å
160P88.8Confident89.9Confident4 Ų458.6 Ų58.63%0.02629%0.291CS..  trans-57.7151.7168.7-17.420.3000112.9E162 T163 I213 T214 H217P160-E162 PolarHBondContact O-N 2.81Å; P160-T163 WeakPolarHBondContact CB-OG1 3.48Å; P160-T163 WeakPolarHBondContact CD-OG1 3.24Å; P160-T163 WeakPolarHBondContact CG-OG1 3.2Å; P160-T163 WeakPolarHBondContact O-CB 3.33Å; P160-T163 PolarHBondContact O-N 2.7Å; P160-T163 PolarHBondContact O-OG1 3.06Å; P160-I213 HydrophobicContact CG-CB 4.1Å; P160-I213 HydrophobicContact CG-CG2 3.99Å; P160-T214 HydrophobicContact CB-CG2 4.2Å; P160-T214 HydrophobicContact CG-CG2 3.74Å; P160-H217 HydrophobicContact CG-CB 3.74Å
161E83.8Confident90Very high153 Ų15356.7 Ų56.772%0.71528%0.277SS*.THydrogen-bonded Turntrans-62.3-29.7178-169.7174.2-17900112.8T163 H188E161-T163 PolarHBondContact O-N 3.3Å; E161-H188 HydrophobicContact CG-CB 4.45Å
162E84.5Confident90.1Very high150 Ų15056 Ų5670%0.70127%0.273SS*.THydrogen-bonded Turntrans-76.5-6.8176.2-50.291.7176.300113.6P160 N164P160-E162 PolarHBondContact O-N 2.81Å; E162-N164 PolarHBondContact O-N 3.48Å
163T86.8Confident90.1Very high6 Ų657 Ų574%0.03729%0.285CS..  trans-67.1125.7-177.9-52.70000110.5L159 P160 E161 L168 I213L159-T163 HydrophobicContact CB-CG2 4.39Å; L159-T163 HydrophobicContact CD1-CG2 4.5Å; P160-T163 WeakPolarHBondContact CB-OG1 3.48Å; P160-T163 WeakPolarHBondContact CD-OG1 3.24Å; P160-T163 WeakPolarHBondContact CG-OG1 3.2Å; P160-T163 WeakPolarHBondContact O-CB 3.33Å; P160-T163 PolarHBondContact O-N 2.7Å; P160-T163 PolarHBondContact O-OG1 3.06Å; E161-T163 PolarHBondContact O-N 3.3Å; T163-L168 HydrophobicContact CG2-CD1 3.91Å; T163-L168 HydrophobicContact CG2-CD2 3.91Å; T163-L168 HydrophobicContact CG2-CG 3.74Å; T163-I213 HydrophobicContact CG2-CD1 4.23Å
164N88.1Confident89.8Confident73 Ų7361.2 Ų61.239%0.3930%0.304SS..  trans-121.5167.9178.565.854.5000112.3E162 M166 M167 L168E162-N164 PolarHBondContact O-N 3.48Å; N164-M166 PolarHBondContact O-N 2.86Å; N164-M166 WeakPolarHBondContact OD1-CB 3.27Å; N164-M166 PolarHBondContact OD1-N 3.12Å; N164-M166 VanDerWaalsContact OD1-N 3.11Å; N164-M167 PolarHBondContact O-N 2.92Å; N164-M167 WeakPolarHBondContact OD1-CG 3.41Å; N164-M167 PolarHBondContact OD1-N 3.36Å; N164-L168 PolarHBondContact O-N 3.22Å
165E88.5Confident89.8Confident107 Ų10762.6 Ų62.650%0.531%0.31SS..Hα-helixtrans-58.8-34.8-176.9-171.6-174.2149.300112.5S169 V181 L183E165-S169 WeakPolarHBondContact O-CB 3.42Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 3.48Å; E165-V181 HydrophobicContact CG-CB 4.16Å; E165-L183 HydrophobicContact CB-CD1 4.19Å
166M85.6Confident89.4Confident126 Ų12665 Ų6562%0.62133%0.33SS*.Hα-helixtrans-70-41.6-177.6-173.2168.7177.500111.7N164 S169 M170N164-M166 PolarHBondContact O-N 2.86Å; N164-M166 WeakPolarHBondContact OD1-CB 3.27Å; N164-M166 PolarHBondContact OD1-N 3.12Å; N164-M166 VanDerWaalsContact OD1-N 3.11Å; M166-S169 PolarHBondContact O-N 3.36Å; M166-M170 HydrophobicContact CE-CE 3.49Å; M166-M170 VanDerWaalsContact CE-CE 3.49Å; M166-M170 HydrophobicContact CG-CE 4.16Å; M166-M170 WeakPolarHBondContact O-CG 3.35Å; M166-M170 PolarHBondContact O-N 3.45Å
167M88.8Confident89.1Confident87 Ų8766.1 Ų66.143%0.42934%0.341SS..Hα-helixtrans-61.6-47.6175.7-68.2172.868.200111.5N164 M170 L171 I213N164-M167 PolarHBondContact O-N 2.92Å; N164-M167 WeakPolarHBondContact OD1-CG 3.41Å; N164-M167 PolarHBondContact OD1-N 3.36Å; M167-M170 PolarHBondContact O-N 3.2Å; M167-L171 WeakPolarHBondContact O-CB 3.39Å; M167-L171 PolarHBondContact O-N 3.37Å; M167-I213 HydrophobicContact CE-CG2 4.09Å
168L92.3Very high89.2Confident2 Ų266.5 Ų66.51%0.0134%0.342CS..Hα-helixtrans-66.5-39.6177.4-66176.5000111.2L156 L159 T163 N164 M170 L171 F172 V181 L183 A191 I213L156-L168 HydrophobicContact CD2-CD1 4.43Å; L156-L168 HydrophobicContact CD2-CD2 4.09Å; L159-L168 HydrophobicContact CD1-CD1 4.02Å; L159-L168 HydrophobicContact CD2-CD2 4.31Å; T163-L168 HydrophobicContact CG2-CD1 3.91Å; T163-L168 HydrophobicContact CG2-CD2 3.91Å; T163-L168 HydrophobicContact CG2-CG 3.74Å; N164-L168 PolarHBondContact O-N 3.22Å; L168-M170 VanDerWaalsContact C-N 3.34Å; L168-M170 PolarHBondContact O-N 3.41Å; L168-L171 PolarHBondContact O-N 2.64Å; L168-F172 HydrophobicContact CD2-CE2 4.43Å; L168-F172 VanDerWaalsContact O-CD2 3.32Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 PolarHBondContact O-N 3.12Å; L168-V181 HydrophobicContact CB-CB 4.44Å; L168-V181 HydrophobicContact CB-CG1 3.84Å; L168-V181 HydrophobicContact CB-CG2 3.97Å; L168-V181 HydrophobicContact CD1-CG1 3.82Å; L168-L183 HydrophobicContact CD1-CD2 3.97Å; L168-A191 HydrophobicContact CD1-CB 3.84Å; L168-I213 HydrophobicContact CD2-CD1 4.07Å
169S91.1Very high89.1Confident29 Ų2968 Ų6820%0.20335%0.345CS..Hα-helixtrans-60.9-44.8176-62.60000111E165 M166 L171 F172 N173E165-S169 WeakPolarHBondContact O-CB 3.42Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 3.48Å; M166-S169 PolarHBondContact O-N 3.36Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 3.26Å; S169-F172 PolarHBondContact O-N 3.2Å; S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.87Å
170M84.4Confident89.1Confident129 Ų12972.5 Ų72.564%0.63537%0.365SS*.Hα-helixtrans-60-43175.5-74.7177.4174.100112M166 M167 L168M166-M170 HydrophobicContact CE-CE 3.49Å; M166-M170 VanDerWaalsContact CE-CE 3.49Å; M166-M170 HydrophobicContact CG-CE 4.16Å; M166-M170 WeakPolarHBondContact O-CG 3.35Å; M166-M170 PolarHBondContact O-N 3.45Å; M167-M170 PolarHBondContact O-N 3.2Å; L168-M170 VanDerWaalsContact C-N 3.34Å; L168-M170 PolarHBondContact O-N 3.41Å
171L89.4Confident89.4Confident27 Ų2772.5 Ų72.514%0.14137%0.366CS..Hα-helixtrans-68.1-39.6-178.2-174.260.9000113M167 L168 S169 Q174 L208 F211 M219M167-L171 WeakPolarHBondContact O-CB 3.39Å; M167-L171 PolarHBondContact O-N 3.37Å; L168-L171 PolarHBondContact O-N 2.64Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 3.26Å; L171-Q174 VanDerWaalsContact O-CD 3.25Å; L171-Q174 VanDerWaalsContact O-CG 3.25Å; L171-Q174 WeakPolarHBondContact O-CG 3.47Å; L171-L208 HydrophobicContact CD1-CD2 3.85Å; L171-L208 HydrophobicContact CD2-CD1 4.35Å; L171-L208 HydrophobicContact CD2-CD2 4.42Å; L171-L208 HydrophobicContact CG-CD1 3.94Å; L171-L208 HydrophobicContact CG-CD2 4.1Å; L171-F211 HydrophobicContact CD1-CD1 4.49Å; L171-F211 HydrophobicContact CD1-CE1 4.04Å; L171-F211 HydrophobicContact CD1-CE2 4.47Å; L171-F211 HydrophobicContact CD1-CZ 4.03Å; L171-F211 HydrophobicContact CD2-CD1 3.84Å; L171-F211 HydrophobicContact CD2-CE1 3.86Å; L171-M219 HydrophobicContact CD2-CE 3.41Å; L171-M219 VanDerWaalsContact CD2-CE 3.41Å; L171-M219 HydrophobicContact CD2-SD 4.37Å
172F93.2Very high89.9Confident0 Ų072 Ų720%036%0.357CS..Hα-helixtrans-89.8-21.8-177.4-77.6-91.8000113.6L154 L156 L168 S169 Q174 F175 F178 V193 F195 A204 L208 M219 I221L154-F172 HydrophobicContact CD1-CE1 3.99Å; L156-F172 HydrophobicContact CD1-CZ 4.3Å; L156-F172 HydrophobicContact CD2-CE2 3.58Å; L156-F172 HydrophobicContact CD2-CZ 3.72Å; L156-F172 HydrophobicContact CG-CZ 4.21Å; L168-F172 HydrophobicContact CD2-CE2 4.43Å; L168-F172 VanDerWaalsContact O-CD2 3.32Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 PolarHBondContact O-N 3.12Å; S169-F172 PolarHBondContact O-N 3.2Å; F172-Q174 PolarHBondContact O-N 3.14Å; F172-Q174 VanDerWaalsContact O-N 3.15Å; F172-F175 PolarHBondContact O-N 2.97Å; F172-F178 HydrophobicContact CB-CD2 3.59Å; F172-F178 HydrophobicContact CB-CE2 3.72Å; F172-F178 HydrophobicContact CB-CG 4.5Å; F172-V193 HydrophobicContact CB-CG1 4.04Å; F172-V193 HydrophobicContact CD1-CB 4.35Å; F172-V193 HydrophobicContact CD1-CG1 3.78Å; F172-V193 HydrophobicContact CD1-CG2 4.27Å; F172-V193 HydrophobicContact CD2-CG2 4.05Å; F172-V193 HydrophobicContact CE1-CB 4.5Å; F172-V193 HydrophobicContact CE1-CG1 4.39Å; F172-V193 HydrophobicContact CE1-CG2 4.28Å; F172-V193 HydrophobicContact CE2-CG2 4.09Å; F172-V193 HydrophobicContact CG-CG1 3.89Å; F172-V193 HydrophobicContact CG-CG2 4.14Å; F172-V193 HydrophobicContact CZ-CG2 4.2Å; F172-F195 HydrophobicContact CB-CZ 4.49Å; F172-F195 AromaticContact CD1-CE2 3.99Å; F172-F195 HydrophobicContact CD1-CE2 3.99Å; F172-F195 AromaticContact CD1-CZ 3.94Å; F172-F195 HydrophobicContact CD1-CZ 3.94Å; F172-A204 HydrophobicContact CD1-CB 4.29Å; F172-A204 HydrophobicContact CE1-CB 4.44Å; F172-L208 HydrophobicContact CD1-CD1 3.82Å; F172-L208 HydrophobicContact CD2-CD1 4.21Å; F172-L208 HydrophobicContact CE1-CD1 3.56Å; F172-L208 HydrophobicContact CE2-CD1 3.95Å; F172-L208 HydrophobicContact CG-CD1 4.16Å; F172-L208 HydrophobicContact CZ-CD1 3.63Å; F172-M219 HydrophobicContact CE2-CE 4.32Å; F172-M219 HydrophobicContact CE2-SD 4.39Å; F172-M219 HydrophobicContact CZ-CE 4.34Å; F172-M219 HydrophobicContact CZ-SD 4.48Å; F172-I221 HydrophobicContact CE1-CD1 4.36Å; F172-I221 HydrophobicContact CZ-CD1 3.93Å
173N92.6Very high89.9Confident110 Ų11067.1 Ų67.159%0.58834%0.336SS*.THydrogen-bonded Turntrans-64.5-15.7177-176.780.8000113.6S169 F175 F178S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.87Å; N173-F175 PolarHBondContact O-N 2.92Å; N173-F178 HydrophobicContact CB-CD1 3.92Å; N173-F178 HydrophobicContact CB-CE1 4.22Å; N173-F178 HydrophobicContact CB-CG 4.46Å
174Q88.9Confident89.8Confident124 Ų12468.8 Ų68.858%0.57935%0.346SS*.THydrogen-bonded Turntrans-70.8-15.7173.475.8-168.812.700113.3L171 F172L171-Q174 VanDerWaalsContact O-CD 3.25Å; L171-Q174 VanDerWaalsContact O-CG 3.25Å; L171-Q174 WeakPolarHBondContact O-CG 3.47Å; F172-Q174 PolarHBondContact O-N 3.14Å; F172-Q174 VanDerWaalsContact O-N 3.15Å
175F93.4Very high89.6Confident30 Ų3071 Ų7113%0.13236%0.364CS..SBendtrans-96.2134.2178-63.4-84.3000110.6F172 N173 F178 F195 A204 A207 L208F172-F175 PolarHBondContact O-N 2.97Å; N173-F175 PolarHBondContact O-N 2.92Å; F175-F178 PolarHBondContact O-N 3.42Å; F175-F195 HydrophobicContact CB-CE1 3.71Å; F175-F195 HydrophobicContact CB-CZ 4.04Å; F175-A204 HydrophobicContact CB-CB 3.98Å; F175-A204 HydrophobicContact CD1-CB 3.92Å; F175-A204 HydrophobicContact CD2-CB 3.81Å; F175-A204 HydrophobicContact CE1-CB 4.39Å; F175-A204 HydrophobicContact CE2-CB 4.3Å; F175-A204 HydrophobicContact CG-CB 3.61Å; F175-A207 HydrophobicContact CE1-CB 3.53Å; F175-A207 HydrophobicContact CZ-CB 3.51Å; F175-L208 HydrophobicContact CD2-CD1 4.22Å; F175-L208 HydrophobicContact CE2-CD1 3.45Å; F175-L208 VanDerWaalsContact CE2-CD1 3.45Å; F175-L208 HydrophobicContact CE2-CD2 4.17Å; F175-L208 HydrophobicContact CE2-CG 3.61Å; F175-L208 HydrophobicContact CZ-CD1 4.18Å; F175-L208 HydrophobicContact CZ-CD2 4.34Å; F175-L208 HydrophobicContact CZ-CG 3.83Å
176P88.4Confident89.4Confident97 Ų9769.2 Ų69.263%0.6338%0.375SS*.THydrogen-bonded Turntrans-55.5141.1177.7-26.234.5000112.7F178 Q200P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 2.89Å; P176-Q200 WeakPolarHBondContact O-CB 3.31Å; P176-Q200 WeakPolarHBondContact O-CG 3.34Å
177G88.6Confident89.5Confident23 Ų2370.9 Ų70.924%0.23737%0.374CS..THydrogen-bonded Turntrans76.611.3175.900000115.5K179 F195 E196G177-K179 PolarHBondContact O-N 2.68Å; G177-F195 CarbonylContact O-C 3.58Å; G177-F195 WeakPolarHBondContact O-CA 3.44Å; G177-E196 PolarHBondContact O-N 2.8Å
178F93.3Very high89.3Confident40 Ų4071.4 Ų71.418%0.17538%0.375CS..EExtended strand (participates in β ladder)trans-55.4132.9167.6170.1-100.5000111F172 N173 F175 P176 V181 V193 F195F172-F178 HydrophobicContact CB-CD2 3.59Å; F172-F178 HydrophobicContact CB-CE2 3.72Å; F172-F178 HydrophobicContact CB-CG 4.5Å; N173-F178 HydrophobicContact CB-CD1 3.92Å; N173-F178 HydrophobicContact CB-CE1 4.22Å; N173-F178 HydrophobicContact CB-CG 4.46Å; F175-F178 PolarHBondContact O-N 3.42Å; P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 2.89Å; F178-V181 HydrophobicContact CE2-CG2 3.62Å; F178-V181 HydrophobicContact CZ-CG2 3.79Å; F178-V193 HydrophobicContact CD2-CG1 3.92Å; F178-V193 HydrophobicContact CE2-CG1 3.89Å; F178-F195 HydrophobicContact CB-CD1 4.44Å; F178-F195 HydrophobicContact CB-CE1 3.94Å; F178-F195 HydrophobicContact CB-CZ 4.43Å; F178-F195 HydrophobicContact CD2-CZ 4.5Å
179K90.4Very high89.1Confident103 Ų10375 Ų7545%0.44839%0.394SS..EExtended strand (participates in β ladder)trans-113.7-61.8177.7-70178.3179.21540113.1G177 E194 F195G177-K179 PolarHBondContact O-N 2.68Å; K179-E194 HydrophobicContact CB-CB 4.34Å; K179-E194 HydrophobicContact CB-CG 4.5Å; K179-E194 WeakPolarHBondContact CB-O 3.38Å; K179-E194 HydrophobicContact CD-CG 3.98Å; K179-E194 WeakPolarHBondContact CD-OE1 2.99Å; K179-E194 PolarHBondContact N-O 2.98Å; K179-E194 IonicContact NZ-OE1 2.84Å; K179-E194 PolarHBondContact NZ-OE1 3Å; K179-F195 PolarHBondContact NZ-O 3.36Å; K179-F195 VanDerWaalsContact NZ-O 3.14Å
180E91.1Very high89.2Confident102 Ų10274.4 Ų74.448%0.47739%0.389SS..EExtended strand (participates in β ladder)trans-153.6154.7-176.565.5172.6-155.400113.2V193 E194E180-V193 WeakPolarHBondContact O-CA 3.47Å; E180-E194 HydrophobicContact CG-CB 4.17Å; E180-E194 PolarHBondContact O-N 2.74Å
181V95.1Very high89.6Confident5 Ų568.2 Ų68.23%0.0336%0.359CS..EExtended strand (participates in β ladder)trans-107.5135.5165.1-176.90000108.8E165 L168 F178 A191 F192 V193E165-V181 HydrophobicContact CG-CB 4.16Å; L168-V181 HydrophobicContact CB-CB 4.44Å; L168-V181 HydrophobicContact CB-CG1 3.84Å; L168-V181 HydrophobicContact CB-CG2 3.97Å; L168-V181 HydrophobicContact CD1-CG1 3.82Å; F178-V181 HydrophobicContact CE2-CG2 3.62Å; F178-V181 HydrophobicContact CZ-CG2 3.79Å; V181-A191 HydrophobicContact CG1-CB 4.37Å; V181-F192 CarbonylContact C-O 3.49Å; V181-F192 WeakPolarHBondContact CA-O 3.34Å; V181-V193 HydrophobicContact CG1-CG2 4.33Å; V181-V193 HydrophobicContact CG2-CG2 4.05Å
182R93.1Very high90Very high142 Ų14269.4 Ų69.454%0.53636%0.362SS..EExtended strand (participates in β ladder)trans-126.1108.3174.9-176.2177.562.2147.90.9110.5A191 F192R182-A191 WeakPolarHBondContact O-CA 3.4Å; R182-F192 HydrophobicContact CB-CB 4.46Å; R182-F192 PolarHBondContact N-O 3.41Å; R182-F192 PolarHBondContact O-N 3.32Å
183L85Confident90.1Very high48 Ų4869.4 Ų69.425%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-71.9150.2168.2-66.7173.2000110.8E165 L168 A191E165-L183 HydrophobicContact CB-CD1 4.19Å; L168-L183 HydrophobicContact CD1-CD2 3.97Å; L183-A191 HydrophobicContact CD2-CB 3.8Å
184V85.4Confident90.2Very high40 Ų4066.5 Ų66.524%0.24235%0.346CS..EExtended strand (participates in β ladder)trans-90.5121.8176.3-179.20000110.1G186 R187 I190 F192V184-G186 PolarHBondContact O-N 2.77Å; V184-R187 HydrophobicContact CB-CB 4.21Å; V184-R187 HydrophobicContact CG1-CB 4.14Å; V184-R187 CarbonylContact O-C 3.53Å; V184-R187 PolarHBondContact O-N 2.94Å; V184-I190 HydrophobicContact CB-CD1 3.79Å; V184-I190 HydrophobicContact CB-CG1 3.74Å; V184-I190 HydrophobicContact CG1-CD1 4.08Å; V184-I190 HydrophobicContact CG2-CD1 3.61Å; V184-I190 HydrophobicContact CG2-CG1 3.66Å; V184-F192 HydrophobicContact CG2-CD2 4.1Å; V184-F192 HydrophobicContact CG2-CE2 3.77Å
185P82.7Confident90.5Very high119 Ų11960.6 Ų60.677%0.77332%0.318SS*.THydrogen-bonded Turntrans-58.4125.1177.1-24.334.4000111.7R187P185-R187 VanDerWaalsContact C-N 3.3Å
186G84.6Confident90.3Very high71 Ų7165.5 Ų65.573%0.73234%0.341SS*.THydrogen-bonded Turntrans80.73.7-17900000115V184V184-G186 PolarHBondContact O-N 2.77Å
187R87Confident90.4Very high160 Ų16064 Ų6460%0.60433%0.328SS*.EExtended strand (participates in β ladder)trans-137.894.7170.8-70.5-166.4163.4-171.3-6110.4V184 P185 D189 I190V184-R187 HydrophobicContact CB-CB 4.21Å; V184-R187 HydrophobicContact CG1-CB 4.14Å; V184-R187 CarbonylContact O-C 3.53Å; V184-R187 PolarHBondContact O-N 2.94Å; P185-R187 VanDerWaalsContact C-N 3.3Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-I190 HydrophobicContact CB-CD1 3.74Å; R187-I190 HydrophobicContact CB-CG1 3.72Å; R187-I190 HydrophobicContact CG-CD1 4.36Å
188H85.1Confident90.5Very high98 Ų9868.1 Ų68.145%0.45434%0.341SS..EExtended strand (participates in β ladder)trans-78-16.6-175.7-64.9-84.3000113.2E161 I190E161-H188 HydrophobicContact CG-CB 4.45Å; H188-I190 VanDerWaalsContact C-N 3.27Å; H188-I190 PolarHBondContact O-N 2.93Å
189D88.7Confident90.3Very high77 Ų7768.6 Ų68.641%0.41236%0.357SS..EExtended strand (participates in β ladder)trans-80.2-5.8-17965.7-50.4000113.6N157 N158 L159 R187N157-D189 CarbonylContact C-O 3.44Å; N157-D189 VanDerWaalsContact CA-O 3.29Å; N157-D189 WeakPolarHBondContact CA-O 3.47Å; N158-D189 PolarHBondContact N-O 2.64Å; N158-D189 VanDerWaalsContact N-O 3.09Å; L159-D189 PolarHBondContact N-O 3.39Å; L159-D189 VanDerWaalsContact N-O 3.09Å; L159-D189 WeakPolarHBondContact O-CA 3.35Å; R187-D189 VanDerWaalsContact C-N 3.29Å
190I92.4Very high90.3Very high17 Ų1765.8 Ų65.89%0.08735%0.346CS..EExtended strand (participates in β ladder)trans-132.9146.9-175.665.2178.5000113.6F155 L156 N157 V184 R187 H188F155-I190 HydrophobicContact CE2-CB 4Å; F155-I190 HydrophobicContact CE2-CG2 4.08Å; F155-I190 HydrophobicContact CZ-CB 4.27Å; F155-I190 HydrophobicContact CZ-CG2 3.83Å; L156-I190 WeakPolarHBondContact O-CA 3.39Å; N157-I190 HydrophobicContact CB-CG2 4.02Å; V184-I190 HydrophobicContact CB-CD1 3.79Å; V184-I190 HydrophobicContact CB-CG1 3.74Å; V184-I190 HydrophobicContact CG1-CD1 4.08Å; V184-I190 HydrophobicContact CG2-CD1 3.61Å; V184-I190 HydrophobicContact CG2-CG1 3.66Å; R187-I190 HydrophobicContact CB-CD1 3.74Å; R187-I190 HydrophobicContact CB-CG1 3.72Å; R187-I190 HydrophobicContact CG-CD1 4.36Å; H188-I190 VanDerWaalsContact C-N 3.27Å; H188-I190 PolarHBondContact O-N 2.93Å
191A93.8Very high90.3Very high0 Ų060.9 Ų60.90%032%0.323CS..EExtended strand (participates in β ladder)trans-148.5162.6174.500000111.8L156 L159 L168 V181 R182 L183L156-A191 HydrophobicContact CB-CB 4.24Å; L156-A191 HydrophobicContact CD2-CB 4.36Å; L156-A191 PolarHBondContact N-O 3.19Å; L156-A191 PolarHBondContact O-N 2.89Å; L159-A191 HydrophobicContact CD1-CB 3.68Å; L168-A191 HydrophobicContact CD1-CB 3.84Å; V181-A191 HydrophobicContact CG1-CB 4.37Å; R182-A191 WeakPolarHBondContact O-CA 3.4Å; L183-A191 HydrophobicContact CD2-CB 3.8Å
192F96.8Very high90.2Very high51 Ų5160.9 Ų60.922%0.22432%0.324CS..EExtended strand (participates in β ladder)trans-115.9138.5169.4-66-87.4000109.7I153 L154 F155 V181 R182 V184 A224I153-F192 HydrophobicContact CG2-CB 4.22Å; I153-F192 HydrophobicContact CG2-CD1 3.95Å; L154-F192 CarbonylContact O-C 3.58Å; L154-F192 VanDerWaalsContact O-CA 3.27Å; L154-F192 WeakPolarHBondContact O-CA 3.3Å; F155-F192 HydrophobicContact CB-CD1 4.5Å; F155-F192 HydrophobicContact CB-CE1 4.3Å; F155-F192 HydrophobicContact CD2-CD1 4.26Å; F155-F192 AromaticContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE2 4.42Å; F155-F192 AromaticContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CE2-CZ 4.21Å; F155-F192 HydrophobicContact CG-CE1 4.43Å; V181-F192 CarbonylContact C-O 3.49Å; V181-F192 WeakPolarHBondContact CA-O 3.34Å; R182-F192 HydrophobicContact CB-CB 4.46Å; R182-F192 PolarHBondContact N-O 3.41Å; R182-F192 PolarHBondContact O-N 3.32Å; V184-F192 HydrophobicContact CG2-CD2 4.1Å; V184-F192 HydrophobicContact CG2-CE2 3.77Å; F192-A224 HydrophobicContact CD1-CB 4.26Å; F192-A224 HydrophobicContact CE1-CB 4.22Å
193V96.3Very high90.1Very high0 Ų056.8 Ų56.80%032%0.32CS..EExtended strand (participates in β ladder)trans-121.7125.1173.8-178.20000108.7I153 L154 L156 F172 F178 E180 V181 F195I153-V193 CarbonylContact C-O 3.39Å; I153-V193 WeakPolarHBondContact CA-O 3.47Å; L154-V193 HydrophobicContact CB-CB 4.38Å; L154-V193 PolarHBondContact N-O 3.37Å; L154-V193 PolarHBondContact O-N 2.92Å; L156-V193 HydrophobicContact CD1-CB 4.14Å; L156-V193 HydrophobicContact CD1-CG2 3.52Å; L156-V193 HydrophobicContact CD2-CG2 3.87Å; L156-V193 HydrophobicContact CG-CG2 4.38Å; F172-V193 HydrophobicContact CB-CG1 4.04Å; F172-V193 HydrophobicContact CD1-CB 4.35Å; F172-V193 HydrophobicContact CD1-CG1 3.78Å; F172-V193 HydrophobicContact CD1-CG2 4.27Å; F172-V193 HydrophobicContact CD2-CG2 4.05Å; F172-V193 HydrophobicContact CE1-CB 4.5Å; F172-V193 HydrophobicContact CE1-CG1 4.39Å; F172-V193 HydrophobicContact CE1-CG2 4.28Å; F172-V193 HydrophobicContact CE2-CG2 4.09Å; F172-V193 HydrophobicContact CG-CG1 3.89Å; F172-V193 HydrophobicContact CG-CG2 4.14Å; F172-V193 HydrophobicContact CZ-CG2 4.2Å; F178-V193 HydrophobicContact CD2-CG1 3.92Å; F178-V193 HydrophobicContact CE2-CG1 3.89Å; E180-V193 WeakPolarHBondContact O-CA 3.47Å; V181-V193 HydrophobicContact CG1-CG2 4.33Å; V181-V193 HydrophobicContact CG2-CG2 4.05Å; V193-F195 HydrophobicContact CG1-CD2 4.13Å; V193-F195 HydrophobicContact CG1-CE2 3.57Å; V193-F195 HydrophobicContact CG1-CZ 4.3Å
194E95Very high90.5Very high50 Ų5054.5 Ų54.523%0.23431%0.308CS..EExtended strand (participates in β ladder)trans-100.4134.4178.7-169.1-176.5146.600111.1Y152 I153 K179 E180Y152-E194 HydrophobicContact CD2-CG 3.8Å; Y152-E194 HydrophobicContact CE2-CG 3.93Å; I153-E194 HydrophobicContact CG1-CG 4.14Å; K179-E194 HydrophobicContact CB-CB 4.34Å; K179-E194 HydrophobicContact CB-CG 4.5Å; K179-E194 WeakPolarHBondContact CB-O 3.38Å; K179-E194 HydrophobicContact CD-CG 3.98Å; K179-E194 WeakPolarHBondContact CD-OE1 2.99Å; K179-E194 PolarHBondContact N-O 2.98Å; K179-E194 IonicContact NZ-OE1 2.84Å; K179-E194 PolarHBondContact NZ-OE1 3Å; E180-E194 HydrophobicContact CG-CB 4.17Å; E180-E194 PolarHBondContact O-N 2.74Å
195F94.1Very high90.9Very high0 Ų054.5 Ų54.50%030%0.304CS..EExtended strand (participates in β ladder)trans-113.1169.7170-76-92.9000112Y152 L154 F172 F175 G177 F178 K179 V193 Q200 A201 A204Y152-F195 WeakPolarHBondContact CD2-O 3.44Å; Y152-F195 PolarHBondContact O-N 3.18Å; L154-F195 HydrophobicContact CD1-CD2 4.33Å; L154-F195 HydrophobicContact CD1-CE2 3.89Å; F172-F195 HydrophobicContact CB-CZ 4.49Å; F172-F195 AromaticContact CD1-CE2 3.99Å; F172-F195 HydrophobicContact CD1-CE2 3.99Å; F172-F195 AromaticContact CD1-CZ 3.94Å; F172-F195 HydrophobicContact CD1-CZ 3.94Å; F175-F195 HydrophobicContact CB-CE1 3.71Å; F175-F195 HydrophobicContact CB-CZ 4.04Å; G177-F195 CarbonylContact O-C 3.58Å; G177-F195 WeakPolarHBondContact O-CA 3.44Å; F178-F195 HydrophobicContact CB-CD1 4.44Å; F178-F195 HydrophobicContact CB-CE1 3.94Å; F178-F195 HydrophobicContact CB-CZ 4.43Å; F178-F195 HydrophobicContact CD2-CZ 4.5Å; K179-F195 PolarHBondContact NZ-O 3.36Å; K179-F195 VanDerWaalsContact NZ-O 3.14Å; V193-F195 HydrophobicContact CG1-CD2 4.13Å; V193-F195 HydrophobicContact CG1-CE2 3.57Å; V193-F195 HydrophobicContact CG1-CZ 4.3Å; F195-Q200 HydrophobicContact CB-CB 4.41Å; F195-Q200 HydrophobicContact CD1-CB 3.98Å; F195-Q200 HydrophobicContact CG-CB 4.48Å; F195-A201 HydrophobicContact CB-CB 4.05Å; F195-A201 HydrophobicContact CD2-CB 3.93Å; F195-A201 HydrophobicContact CG-CB 4.14Å; F195-A204 HydrophobicContact CE1-CB 4.13Å; F195-A204 HydrophobicContact CE2-CB 3.81Å; F195-A204 HydrophobicContact CZ-CB 3.42Å; F195-A204 VanDerWaalsContact CZ-CB 3.42Å
196E88.8Confident91.3Very high132 Ų13253.9 Ų53.962%0.61729%0.294SS*.SBendtrans-69.9-38174.8-176.8175.6-158.600112.3G177G177-E196 PolarHBondContact O-N 2.8Å
197N91.4Very high91.4Very high67 Ų6753.6 Ų53.636%0.35828%0.284SS..SBendtrans-144.6167.7176.463.164.4000113.4G199 Q200 A201N197-G199 PolarHBondContact O-N 3.02Å; N197-G199 PolarHBondContact OD1-N 3.33Å; N197-Q200 PolarHBondContact ND2-NE2 3.03Å; N197-Q200 PolarHBondContact ND2-OE1 2.71Å; N197-Q200 VanDerWaalsContact ND2-OE1 3.15Å; N197-Q200 WeakPolarHBondContact OD1-CG 3.5Å; N197-Q200 PolarHBondContact OD1-N 2.98Å; N197-A201 PolarHBondContact O-N 3Å; N197-A201 VanDerWaalsContact O-N 3.17Å
198E89.8Confident91.7Very high109 Ų10946.2 Ų46.251%0.50926%0.257SS..Hα-helixtrans-68-30.3-177.564.9-175.1-174.100113.7P150 A201 G202P150-E198 HydrophobicContact CB-CB 4.36Å; E198-A201 PolarHBondContact O-N 3.2Å; E198-G202 PolarHBondContact O-N 3.44Å
199G89.4Confident92Very high50 Ų5046.2 Ų46.252%0.51526%0.257SS..Hα-helixtrans-66.5-42.8177.800000112.1N197 G202 A203N197-G199 PolarHBondContact O-N 3.02Å; N197-G199 PolarHBondContact OD1-N 3.33Å; G199-G202 PolarHBondContact O-N 2.87Å; G199-A203 PolarHBondContact O-N 2.88Å
200Q91.4Very high92Very high43 Ų4344.2 Ų44.220%0.20126%0.255CS..Hα-helixtrans-67.2-41.6174.8-72164.6-13.500112.3P176 F195 N197 G202 A203 A204P176-Q200 WeakPolarHBondContact O-CB 3.31Å; P176-Q200 WeakPolarHBondContact O-CG 3.34Å; F195-Q200 HydrophobicContact CB-CB 4.41Å; F195-Q200 HydrophobicContact CD1-CB 3.98Å; F195-Q200 HydrophobicContact CG-CB 4.48Å; N197-Q200 PolarHBondContact ND2-NE2 3.03Å; N197-Q200 PolarHBondContact ND2-OE1 2.71Å; N197-Q200 VanDerWaalsContact ND2-OE1 3.15Å; N197-Q200 WeakPolarHBondContact OD1-CG 3.5Å; N197-Q200 PolarHBondContact OD1-N 2.98Å; Q200-G202 VanDerWaalsContact C-N 3.31Å; Q200-G202 PolarHBondContact O-N 2.89Å; Q200-A203 PolarHBondContact O-N 2.84Å; Q200-A204 PolarHBondContact O-N 3.5Å
201A91.3Very high91.9Very high0 Ų047.8 Ų47.80%027%0.27CS..Hα-helixtrans-60.2-42.517300000111.5N151 L154 F195 N197 E198 A204 R205 Y223N151-A201 VanDerWaalsContact O-CB 3.31Å; N151-A201 WeakPolarHBondContact O-CB 3.31Å; L154-A201 WeakPolarHBondContact CD1-O 3.24Å; L154-A201 HydrophobicContact CD2-CB 4Å; L154-A201 HydrophobicContact CG-CB 4.11Å; F195-A201 HydrophobicContact CB-CB 4.05Å; F195-A201 HydrophobicContact CD2-CB 3.93Å; F195-A201 HydrophobicContact CG-CB 4.14Å; N197-A201 PolarHBondContact O-N 3Å; N197-A201 VanDerWaalsContact O-N 3.17Å; E198-A201 PolarHBondContact O-N 3.2Å; A201-A204 PolarHBondContact O-N 3.07Å; A201-R205 WeakPolarHBondContact O-CB 3.5Å; A201-R205 PolarHBondContact O-N 3.32Å; A201-Y223 HydrophobicContact CB-CE1 4.41Å
202G91.6Very high91.5Very high5 Ų554.2 Ų54.25%0.05230%0.298CS..Hα-helixtrans-61.2-46.7176.200000112.8E198 G199 Q200 A204 R205 D206 Y223E198-G202 PolarHBondContact O-N 3.44Å; G199-G202 PolarHBondContact O-N 2.87Å; Q200-G202 VanDerWaalsContact C-N 3.31Å; Q200-G202 PolarHBondContact O-N 2.89Å; G202-A204 VanDerWaalsContact C-N 3.32Å; G202-A204 PolarHBondContact O-N 3.31Å; G202-R205 WeakPolarHBondContact O-CB 3.33Å; G202-R205 PolarHBondContact O-N 2.71Å; G202-D206 VanDerWaalsContact O-CG 3.26Å; G202-D206 PolarHBondContact O-N 2.77Å; G202-Y223 WeakPolarHBondContact CA-OH 3.3Å
203A90.9Very high90.9Very high55 Ų5553.4 Ų53.446%0.45530%0.296SS..Hα-helixtrans-58.7-43.1176.100000112.3G199 Q200 A207G199-A203 PolarHBondContact O-N 2.88Å; Q200-A203 PolarHBondContact O-N 2.84Å; A203-A207 VanDerWaalsContact O-CB 3.27Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.38Å; A203-A207 VanDerWaalsContact O-N 3.12Å
204A93.1Very high90Very high0 Ų055.2 Ų55.20%031%0.307CS..Hα-helixtrans-66.8-41.8176.600000112.4L154 F172 F175 F195 Q200 A201 G202 L208L154-A204 HydrophobicContact CD1-CB 4.19Å; F172-A204 HydrophobicContact CD1-CB 4.29Å; F172-A204 HydrophobicContact CE1-CB 4.44Å; F175-A204 HydrophobicContact CB-CB 3.98Å; F175-A204 HydrophobicContact CD1-CB 3.92Å; F175-A204 HydrophobicContact CD2-CB 3.81Å; F175-A204 HydrophobicContact CE1-CB 4.39Å; F175-A204 HydrophobicContact CE2-CB 4.3Å; F175-A204 HydrophobicContact CG-CB 3.61Å; F195-A204 HydrophobicContact CE1-CB 4.13Å; F195-A204 HydrophobicContact CE2-CB 3.81Å; F195-A204 HydrophobicContact CZ-CB 3.42Å; F195-A204 VanDerWaalsContact CZ-CB 3.42Å; Q200-A204 PolarHBondContact O-N 3.5Å; A201-A204 PolarHBondContact O-N 3.07Å; G202-A204 VanDerWaalsContact C-N 3.32Å; G202-A204 PolarHBondContact O-N 3.31Å; A204-L208 VanDerWaalsContact O-CB 3.27Å; A204-L208 WeakPolarHBondContact O-CB 3.18Å; A204-L208 PolarHBondContact O-N 3.33Å
205R94.3Very high89.2Confident41 Ų4158.8 Ų58.816%0.15533%0.334CS..Hα-helixtrans-57.5-53.6175170.4-173.5171.9-101.616.3110.8D147 L154 A201 G202 A207 L208 Q209 I221D147-R205 IonicContact OD1-CZ 3.57Å; D147-R205 IonicContact OD1-NE 3.62Å; D147-R205 IonicContact OD1-NH2 2.71Å; D147-R205 PolarHBondContact OD1-NH2 2.74Å; D147-R205 IonicContact OD2-CZ 3.91Å; D147-R205 IonicContact OD2-NH2 2.89Å; D147-R205 PolarHBondContact OD2-NH2 3.43Å; L154-R205 HydrophobicContact CD1-CB 4.18Å; L154-R205 HydrophobicContact CD2-CB 3.91Å; A201-R205 WeakPolarHBondContact O-CB 3.5Å; A201-R205 PolarHBondContact O-N 3.32Å; G202-R205 WeakPolarHBondContact O-CB 3.33Å; G202-R205 PolarHBondContact O-N 2.71Å; R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.96Å; R205-L208 PolarHBondContact O-N 2.94Å; R205-Q209 VanDerWaalsContact O-CB 3.29Å; R205-Q209 WeakPolarHBondContact O-CB 3.44Å; R205-Q209 PolarHBondContact O-N 3.31Å; R205-I221 HydrophobicContact CB-CG2 3.99Å; R205-I221 HydrophobicContact CG-CB 4.21Å; R205-I221 HydrophobicContact CG-CG2 3.9Å
206D90.6Very high88.5Confident106 Ų10663.4 Ų63.457%0.56737%0.366SS*.Hα-helixtrans-67.1-36.5-172.8-64.3-15.7000111.2G202G202-D206 VanDerWaalsContact O-CG 3.26Å; G202-D206 PolarHBondContact O-N 2.77Å
207A88.7Confident88.2Confident64 Ų6460.2 Ų60.253%0.52935%0.351SS..Hα-helixtrans-73.5-30.9177.900000114F175 A203 R205F175-A207 HydrophobicContact CE1-CB 3.53Å; F175-A207 HydrophobicContact CZ-CB 3.51Å; A203-A207 VanDerWaalsContact O-CB 3.27Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.38Å; A203-A207 VanDerWaalsContact O-N 3.12Å; R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.96Å
208L93.3Very high88Confident6 Ų658.5 Ų58.53%0.03135%0.347CS..Hα-helixtrans-106.22.2-175.6-68.7-179.6000113.8L171 F172 F175 A204 R205 G210 F211 M219 I221L171-L208 HydrophobicContact CD1-CD2 3.85Å; L171-L208 HydrophobicContact CD2-CD1 4.35Å; L171-L208 HydrophobicContact CD2-CD2 4.42Å; L171-L208 HydrophobicContact CG-CD1 3.94Å; L171-L208 HydrophobicContact CG-CD2 4.1Å; F172-L208 HydrophobicContact CD1-CD1 3.82Å; F172-L208 HydrophobicContact CD2-CD1 4.21Å; F172-L208 HydrophobicContact CE1-CD1 3.56Å; F172-L208 HydrophobicContact CE2-CD1 3.95Å; F172-L208 HydrophobicContact CG-CD1 4.16Å; F172-L208 HydrophobicContact CZ-CD1 3.63Å; F175-L208 HydrophobicContact CD2-CD1 4.22Å; F175-L208 HydrophobicContact CE2-CD1 3.45Å; F175-L208 VanDerWaalsContact CE2-CD1 3.45Å; F175-L208 HydrophobicContact CE2-CD2 4.17Å; F175-L208 HydrophobicContact CE2-CG 3.61Å; F175-L208 HydrophobicContact CZ-CD1 4.18Å; F175-L208 HydrophobicContact CZ-CD2 4.34Å; F175-L208 HydrophobicContact CZ-CG 3.83Å; A204-L208 VanDerWaalsContact O-CB 3.27Å; A204-L208 WeakPolarHBondContact O-CB 3.18Å; A204-L208 PolarHBondContact O-N 3.33Å; R205-L208 PolarHBondContact O-N 2.94Å; L208-G210 PolarHBondContact O-N 3.17Å; L208-F211 HydrophobicContact CD2-CB 4.37Å; L208-F211 HydrophobicContact CD2-CD2 4.24Å; L208-F211 HydrophobicContact CD2-CG 4.27Å; L208-F211 WeakPolarHBondContact O-CB 3.27Å; L208-F211 PolarHBondContact O-N 2.98Å; L208-M219 HydrophobicContact CB-CE 3.72Å; L208-M219 HydrophobicContact CD1-CE 4.16Å; L208-M219 HydrophobicContact CD2-CE 4.33Å; L208-M219 HydrophobicContact CG-CE 4.31Å; L208-I221 HydrophobicContact CB-CD1 3.5Å; L208-I221 VanDerWaalsContact CB-CD1 3.5Å; L208-I221 WeakPolarHBondContact O-CD1 3.43Å
209Q91Very high88.1Confident97 Ų9753.3 Ų53.345%0.45332%0.322SS..THydrogen-bonded Turntrans-62.6122.7179.4-178.565.6-18.300110.8R205 F211 I221R205-Q209 VanDerWaalsContact O-CB 3.29Å; R205-Q209 WeakPolarHBondContact O-CB 3.44Å; R205-Q209 PolarHBondContact O-N 3.31Å; Q209-F211 PolarHBondContact O-N 3.44Å; Q209-I221 PolarHBondContact OE1-O 3.38Å
210G87.4Confident88.2Confident36 Ų3654.4 Ų54.437%0.37131%0.313SS..THydrogen-bonded Turntrans74.88.6-17800000114.3L208 K212 A218 M219L208-G210 PolarHBondContact O-N 3.17Å; G210-K212 PolarHBondContact O-N 2.98Å; G210-A218 WeakPolarHBondContact O-CB 3.12Å; G210-M219 WeakPolarHBondContact CA-O 3.48Å; G210-M219 PolarHBondContact N-O 2.94Å
211F90.6Very high88.3Confident91 Ų9152.3 Ų52.340%0.39930%0.303SS..  trans-59.2131.9176179.4-89.9000110.5L171 L208 Q209 I213 A218 M219L171-F211 HydrophobicContact CD1-CD1 4.49Å; L171-F211 HydrophobicContact CD1-CE1 4.04Å; L171-F211 HydrophobicContact CD1-CE2 4.47Å; L171-F211 HydrophobicContact CD1-CZ 4.03Å; L171-F211 HydrophobicContact CD2-CD1 3.84Å; L171-F211 HydrophobicContact CD2-CE1 3.86Å; L208-F211 HydrophobicContact CD2-CB 4.37Å; L208-F211 HydrophobicContact CD2-CD2 4.24Å; L208-F211 HydrophobicContact CD2-CG 4.27Å; L208-F211 WeakPolarHBondContact O-CB 3.27Å; L208-F211 PolarHBondContact O-N 2.98Å; Q209-F211 PolarHBondContact O-N 3.44Å; F211-I213 HydrophobicContact CD1-CG1 4.27Å; F211-I213 PolarHBondContact O-N 3.33Å; F211-A218 WeakPolarHBondContact O-CA 3.41Å; F211-M219 HydrophobicContact CB-CE 3.59Å; F211-M219 HydrophobicContact CB-CG 4.37Å; F211-M219 HydrophobicContact CD1-CE 3.83Å; F211-M219 HydrophobicContact CG-CE 4.02Å; F211-M219 WeakPolarHBondContact O-CG 3.45Å; F211-M219 PolarHBondContact O-N 3.47Å
212K86.8Confident88.4Confident136 Ų13652.8 Ų52.859%0.59131%0.306SS*.EExtended strand (participates in β ladder)trans-87.4105.1-177.2-70.7-173.9178.7-170.20110.5G210 T214 H217 A218G210-K212 PolarHBondContact O-N 2.98Å; K212-T214 VanDerWaalsContact C-N 3.34Å; K212-H217 WeakPolarHBondContact CA-O 3.42Å; K212-A218 HydrophobicContact CG-CB 4.07Å
213I82.9Confident88.5Confident33 Ų3353.5 Ų53.517%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-69.9-38.4174.4-60.8-179.4000109.9L159 P160 T163 M167 L168 F211 H217 M219L159-I213 HydrophobicContact CD2-CD1 3.46Å; L159-I213 VanDerWaalsContact CD2-CD1 3.46Å; P160-I213 HydrophobicContact CG-CB 4.1Å; P160-I213 HydrophobicContact CG-CG2 3.99Å; T163-I213 HydrophobicContact CG2-CD1 4.23Å; M167-I213 HydrophobicContact CE-CG2 4.09Å; L168-I213 HydrophobicContact CD2-CD1 4.07Å; F211-I213 HydrophobicContact CD1-CG1 4.27Å; F211-I213 PolarHBondContact O-N 3.33Å; I213-H217 PolarHBondContact N-O 3.42Å; I213-M219 HydrophobicContact CD1-CB 4.11Å; I213-M219 HydrophobicContact CD1-CG 4.41Å; I213-M219 HydrophobicContact CD1-SD 3.99Å; I213-M219 HydrophobicContact CG1-CB 4.45Å; I213-M219 HydrophobicContact CG1-CG 4.49Å; I213-M219 HydrophobicContact CG1-SD 4.35Å
214T78.1Confident88.4Confident38 Ų3851.2 Ų51.223%0.23329%0.288CS..EExtended strand (participates in β ladder)trans-126.5160.7167.462.50000108.8P160 K212 S216 H217P160-T214 HydrophobicContact CB-CG2 4.2Å; P160-T214 HydrophobicContact CG-CG2 3.74Å; K212-T214 VanDerWaalsContact C-N 3.34Å; T214-S216 PolarHBondContact O-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.42Å; T214-H217 PolarHBondContact O-N 3.13Å; T214-H217 WeakPolarHBondContact OG1-CB 3.41Å; T214-H217 PolarHBondContact OG1-N 3.37Å; T214-H217 PolarHBondContact OG1-ND1 2.96Å
215P77.1Confident88Confident126 Ų12659 Ų5982%0.81832%0.322SS*.THydrogen-bonded Turntrans-52.7-26.2-179.4-28.836.2000114.5
216S80.4Confident86.6Confident96 Ų9666.9 Ų66.967%0.67136%0.358SS*.THydrogen-bonded Turntrans-97.6-19.2-179.252.70000115.1T214T214-S216 PolarHBondContact O-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.42Å
217H82.3Confident86.4Confident65 Ų6565 Ų6530%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-119.8105.4-174.4-66.873.3000112.2P160 K212 I213 T214P160-H217 HydrophobicContact CG-CB 3.74Å; K212-H217 WeakPolarHBondContact CA-O 3.42Å; I213-H217 PolarHBondContact N-O 3.42Å; T214-H217 PolarHBondContact O-N 3.13Å; T214-H217 WeakPolarHBondContact OG1-CB 3.41Å; T214-H217 PolarHBondContact OG1-N 3.37Å; T214-H217 PolarHBondContact OG1-ND1 2.96Å
218A86.8Confident86.3Confident31 Ų3165 Ų6526%0.25634%0.338SS..EExtended strand (participates in β ladder)trans-86.1117.2167.500000109.7N158 G210 F211 K212N158-A218 PolarHBondContact ND2-O 3.38Å; G210-A218 WeakPolarHBondContact O-CB 3.12Å; F211-A218 WeakPolarHBondContact O-CA 3.41Å; K212-A218 HydrophobicContact CG-CB 4.07Å
219M91.4Very high85.9Confident0 Ų068.3 Ų68.30%036%0.355CS..  trans-69.9145.1176.869.9172.6165.200110.6L156 L159 L171 F172 L208 G210 F211 I213 I221L156-M219 HydrophobicContact CD2-SD 4.31Å; L159-M219 HydrophobicContact CD2-CB 3.83Å; L159-M219 HydrophobicContact CD2-SD 4.41Å; L171-M219 HydrophobicContact CD2-CE 3.41Å; L171-M219 VanDerWaalsContact CD2-CE 3.41Å; L171-M219 HydrophobicContact CD2-SD 4.37Å; F172-M219 HydrophobicContact CE2-CE 4.32Å; F172-M219 HydrophobicContact CE2-SD 4.39Å; F172-M219 HydrophobicContact CZ-CE 4.34Å; F172-M219 HydrophobicContact CZ-SD 4.48Å; L208-M219 HydrophobicContact CB-CE 3.72Å; L208-M219 HydrophobicContact CD1-CE 4.16Å; L208-M219 HydrophobicContact CD2-CE 4.33Å; L208-M219 HydrophobicContact CG-CE 4.31Å; G210-M219 WeakPolarHBondContact CA-O 3.48Å; G210-M219 PolarHBondContact N-O 2.94Å; F211-M219 HydrophobicContact CB-CE 3.59Å; F211-M219 HydrophobicContact CB-CG 4.37Å; F211-M219 HydrophobicContact CD1-CE 3.83Å; F211-M219 HydrophobicContact CG-CE 4.02Å; F211-M219 WeakPolarHBondContact O-CG 3.45Å; F211-M219 PolarHBondContact O-N 3.47Å; I213-M219 HydrophobicContact CD1-CB 4.11Å; I213-M219 HydrophobicContact CD1-CG 4.41Å; I213-M219 HydrophobicContact CD1-SD 3.99Å; I213-M219 HydrophobicContact CG1-CB 4.45Å; I213-M219 HydrophobicContact CG1-CG 4.49Å; I213-M219 HydrophobicContact CG1-SD 4.35Å; M219-I221 HydrophobicContact CE-CD1 4.1Å; M219-I221 HydrophobicContact CG-CG1 4.45Å; M219-I221 HydrophobicContact SD-CD1 4.3Å; M219-I221 HydrophobicContact SD-CG1 4.47Å
220K92.5Very high85.6Confident73 Ų7366.6 Ų66.632%0.31735%0.349SS..EExtended strand (participates in β ladder)trans-112.5134.5176.7-79.3179.6-175.6-174.10108.1Q143 L156 N157Q143-K220 PolarHBondContact O-NZ 3.08Å; L156-K220 WeakPolarHBondContact CA-O 3.44Å; N157-K220 PolarHBondContact N-O 3.49Å; N157-K220 PolarHBondContact O-N 2.96Å; N157-K220 WeakPolarHBondContact OD1-CB 3.35Å; N157-K220 PolarHBondContact OD1-O 3.07Å; N157-K220 VanDerWaalsContact OD1-O 3.11Å
221I93.8Very high85.5Confident0 Ų068.5 Ų68.50%035%0.347CS..EExtended strand (participates in β ladder)trans-123.8128.3-174.4-49178.9000108.6L154 F155 L156 F172 R205 L208 Q209 M219L154-I221 HydrophobicContact CB-CG2 3.94Å; L154-I221 HydrophobicContact CD1-CG2 3.95Å; L154-I221 HydrophobicContact CD2-CG2 4.2Å; L154-I221 HydrophobicContact CG-CG2 4.25Å; F155-I221 WeakPolarHBondContact O-CA 3.45Å; L156-I221 HydrophobicContact CG-CG1 4.49Å; F172-I221 HydrophobicContact CE1-CD1 4.36Å; F172-I221 HydrophobicContact CZ-CD1 3.93Å; R205-I221 HydrophobicContact CB-CG2 3.99Å; R205-I221 HydrophobicContact CG-CB 4.21Å; R205-I221 HydrophobicContact CG-CG2 3.9Å; L208-I221 HydrophobicContact CB-CD1 3.5Å; L208-I221 VanDerWaalsContact CB-CD1 3.5Å; L208-I221 WeakPolarHBondContact O-CD1 3.43Å; Q209-I221 PolarHBondContact OE1-O 3.38Å; M219-I221 HydrophobicContact CE-CD1 4.1Å; M219-I221 HydrophobicContact CG-CG1 4.45Å; M219-I221 HydrophobicContact SD-CD1 4.3Å; M219-I221 HydrophobicContact SD-CG1 4.47Å
222T92.7Very high85.1Confident9 Ų967 Ų676%0.05534%0.344CS..EExtended strand (participates in β ladder)trans-131.9164.5169.7620000109.7V145 L154 F155V145-T222 HydrophobicContact CB-CG2 4.18Å; V145-T222 HydrophobicContact CG2-CG2 4.18Å; L154-T222 CarbonylContact C-O 3.55Å; L154-T222 WeakPolarHBondContact CA-O 3.48Å; F155-T222 PolarHBondContact N-O 3.16Å; F155-T222 PolarHBondContact O-N 3.3Å
223Y93.2Very high85Confident21 Ų2162.1 Ų62.18%0.08233%0.326CS..EExtended strand (participates in β ladder)trans-64141.1166.8-67.3-68.8000109.8N148 P149 P150 N151 L154 A201 G202N148-Y223 WeakPolarHBondContact CB-O 3.39Å; N148-Y223 PolarHBondContact ND2-O 3.29Å; N148-Y223 VanDerWaalsContact O-CD2 3.29Å; N148-Y223 WeakPolarHBondContact O-CD2 3.46Å; P149-Y223 WeakPolarHBondContact O-CB 3.29Å; P150-Y223 HydrophobicContact CB-CE1 4.47Å; P150-Y223 HydrophobicContact CB-CE2 4.4Å; P150-Y223 HydrophobicContact CG-CE2 4.38Å; N151-Y223 HydrophobicContact CB-CD1 4.1Å; N151-Y223 HydrophobicContact CB-CG 4.43Å; N151-Y223 WeakPolarHBondContact O-CD1 3.24Å; N151-Y223 VanDerWaalsContact O-CE1 3.31Å; N151-Y223 WeakPolarHBondContact O-CE1 3.44Å; L154-Y223 HydrophobicContact CD2-CD1 3.82Å; L154-Y223 HydrophobicContact CD2-CE1 4.02Å; A201-Y223 HydrophobicContact CB-CE1 4.41Å; G202-Y223 WeakPolarHBondContact CA-OH 3.3Å
224A89.1Confident85.2Confident6 Ų664.3 Ų64.35%0.0534%0.338CS..PPolyproline II helixtrans-64.6140.3172.400000109.7N151 I153 F155 F192 K226N151-A224 PolarHBondContact ND2-O 3.32Å; I153-A224 HydrophobicContact CB-CB 3.85Å; I153-A224 HydrophobicContact CG2-CB 3.67Å; I153-A224 WeakPolarHBondContact O-CB 3.34Å; I153-A224 PolarHBondContact O-N 3.11Å; F155-A224 HydrophobicContact CB-CB 4.45Å; F192-A224 HydrophobicContact CD1-CB 4.26Å; F192-A224 HydrophobicContact CE1-CB 4.22Å; A224-K226 PolarHBondContact O-N 2.99Å
225K85.9Confident85.8Confident164 Ų16466.5 Ų66.571%0.71335%0.347SS*.PPolyproline II helixtrans-59.7136.7172.7-65.3-175.3178.7-1750109.3N148N148-K225 WeakPolarHBondContact ND2-CG 3.29Å
226K63.9Low86.5Confident207 Ų20761.1 Ų61.190%0.930%0.304SS*.  trans-66.60171.8-76.3-176.3179.1174.80111.2A224A224-K226 PolarHBondContact O-N 2.99Å

Retrieved 226 of 226 residues in 102.1 ms (Link to these results)