A0A077ZJM7_TRITR Loading...

Acetyltransf 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 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
1M90.5Very high97.2Very high121 Ų12170.1 Ų70.160%0.59637%0.371SS*.  0126.70-172.2-174.1-55.400108.6F48 F49 I55 L84M1-F48 HydrophobicContact CG-CB 4.26Å; M1-F48 HydrophobicContact SD-CB 4.12Å; M1-F48 HydrophobicContact SD-CD2 3.93Å; M1-F48 HydrophobicContact SD-CG 4.14Å; M1-F49 CarbonylContact C-O 3.55Å; M1-F49 WeakPolarHBondContact CA-O 3.29Å; M1-F49 WeakPolarHBondContact CG-O 3.36Å; M1-I55 HydrophobicContact CE-CD1 4.09Å; M1-I55 HydrophobicContact CG-CD1 4.29Å; M1-I55 HydrophobicContact SD-CD1 4.36Å; M1-L84 HydrophobicContact CE-CD2 3.48Å; M1-L84 VanDerWaalsContact CE-CD2 3.48Å; M1-L84 HydrophobicContact SD-CD2 3.91Å
2K95.4Very high97.3Very high127 Ų12767.1 Ų67.155%0.55235%0.353SS*.EExtended strand (participates in β ladder)trans-100.3138.8176-176.9-175.1-177.5-168.90108.6I4 F48 F49K2-I4 HydrophobicContact CD-CD1 3.83Å; K2-I4 HydrophobicContact CD-CG1 4.03Å; K2-I4 HydrophobicContact CG-CD1 4.32Å; K2-I4 HydrophobicContact CG-CG1 3.96Å; K2-F48 CarbonylContact O-C 3.59Å; K2-F48 WeakPolarHBondContact O-CA 3.18Å; K2-F49 HydrophobicContact CB-CB 4.3Å; K2-F49 PolarHBondContact N-O 3.46Å; K2-F49 PolarHBondContact O-N 2.93Å
3E97.5Very high97.4Very high99 Ų9966.4 Ų66.446%0.46336%0.363SS..EExtended strand (participates in β ladder)trans-117.4125.3177.1-51.3-175.6-167.100108.2F48E3-F48 HydrophobicContact CB-CD1 3.78Å; E3-F48 HydrophobicContact CB-CE1 3.76Å; E3-F48 VanDerWaalsContact CD-CE1 3.41Å; E3-F48 HydrophobicContact CG-CD1 3.5Å; E3-F48 VanDerWaalsContact CG-CD1 3.5Å; E3-F48 HydrophobicContact CG-CE1 3.45Å; E3-F48 VanDerWaalsContact CG-CE1 3.45Å; E3-F48 HydrophobicContact CG-CG 4.32Å; E3-F48 HydrophobicContact CG-CZ 4.26Å; E3-F48 WeakPolarHBondContact OE2-CE1 3.45Å
4I98.2Very high97.4Very high49 Ų4962.5 Ų62.525%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-128.8124.8-179.7-47.2179.4000108.5K2 L11 L46 V47 F49K2-I4 HydrophobicContact CD-CD1 3.83Å; K2-I4 HydrophobicContact CD-CG1 4.03Å; K2-I4 HydrophobicContact CG-CD1 4.32Å; K2-I4 HydrophobicContact CG-CG1 3.96Å; I4-L11 HydrophobicContact CB-CD1 3.79Å; I4-L11 HydrophobicContact CB-CD2 4.45Å; I4-L11 HydrophobicContact CG2-CD1 3.96Å; I4-L11 HydrophobicContact CG2-CD2 3.96Å; I4-L46 WeakPolarHBondContact O-CA 3.46Å; I4-V47 PolarHBondContact N-O 2.97Å; I4-V47 PolarHBondContact O-N 2.64Å; I4-F49 HydrophobicContact CB-CE2 4.32Å; I4-F49 HydrophobicContact CD1-CD2 4.07Å; I4-F49 HydrophobicContact CD1-CE2 3.65Å; I4-F49 HydrophobicContact CD1-CZ 4.41Å; I4-F49 HydrophobicContact CG1-CD2 4.22Å; I4-F49 HydrophobicContact CG1-CE2 3.98Å
5F98.4Very high97.5Very high49 Ų4958.3 Ų58.322%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-112.9130.3173-179.4-106000109.6Q44 Y45 L46 Y60 Q95F5-Q44 HydrophobicContact CE2-CB 4.11Å; F5-Q44 HydrophobicContact CZ-CB 3.95Å; F5-Q44 HydrophobicContact CZ-CG 4.35Å; F5-Y45 WeakPolarHBondContact CA-O 3.46Å; F5-Y45 WeakPolarHBondContact CD2-O 3.22Å; F5-L46 HydrophobicContact CB-CD1 4.09Å; F5-L46 HydrophobicContact CD2-CB 4.03Å; F5-Y60 HydrophobicContact CE2-CD1 4.14Å; F5-Y60 HydrophobicContact CE2-CD2 4.11Å; F5-Y60 AromaticContact CE2-CG 3.73Å; F5-Y60 HydrophobicContact CE2-CG 3.73Å; F5-Y60 AromaticContact CZ-CD1 3.74Å; F5-Y60 HydrophobicContact CZ-CD1 3.74Å; F5-Y60 HydrophobicContact CZ-CD2 4.29Å; F5-Y60 HydrophobicContact CZ-CE1 4.12Å; F5-Y60 AromaticContact CZ-CG 3.82Å; F5-Y60 HydrophobicContact CZ-CG 3.82Å; F5-Q95 HydrophobicContact CE1-CG 4.3Å; F5-Q95 HydrophobicContact CZ-CG 4.28Å
6G98.2Very high97.6Very high16 Ų1657.9 Ų57.917%0.16532%0.315CS..EExtended strand (participates in β ladder)trans162.3-167.2178.800000113.2L11 Q44 Y45G6-L11 WeakPolarHBondContact O-CD2 3.46Å; G6-Q44 CarbonylContact O-C 3.6Å; G6-Q44 VanDerWaalsContact O-CA 3.27Å; G6-Q44 WeakPolarHBondContact O-CA 3.17Å; G6-Y45 PolarHBondContact N-O 2.95Å; G6-Y45 PolarHBondContact O-N 3.44Å
7A98.2Very high97.6Very high32 Ų3260.5 Ų60.526%0.26432%0.323SS..  trans-127.220.3-177.800000112.6R43 Q44A7-R43 WeakPolarHBondContact CB-O 3.35Å; A7-Q44 HydrophobicContact CB-CG 4.24Å
8S98.2Very high97.7Very high38 Ų3857.2 Ų57.227%0.26631%0.305SS..  trans-68.3149.8-178.664.60000111.5E10 L11 Q12S8-E10 VanDerWaalsContact C-N 3.28Å; S8-E10 WeakPolarHBondContact CB-OE1 3.26Å; S8-E10 PolarHBondContact O-N 2.87Å; S8-E10 PolarHBondContact OG-OE1 2.81Å; S8-L11 WeakPolarHBondContact O-CB 3.37Å; S8-L11 PolarHBondContact O-N 2.93Å; S8-Q12 PolarHBondContact O-N 3.29Å
9P98.3Very high97.7Very high102 Ų10254.2 Ų54.266%0.66229%0.289SS*.Hα-helixtrans-55-40-176.4-28.636000114.1L11 Q12 A13P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 2.98Å; P9-Q12 PolarHBondContact O-N 2.86Å; P9-A13 WeakPolarHBondContact O-CB 3.47Å; P9-A13 PolarHBondContact O-N 2.86Å
10E97.6Very high97.8Very high135 Ų13556.6 Ų56.663%0.63130%0.295SS*.Hα-helixtrans-67.4-31.8177.466.4-76.7177.900113.3S8 A14S8-E10 VanDerWaalsContact C-N 3.28Å; S8-E10 WeakPolarHBondContact CB-OE1 3.26Å; S8-E10 PolarHBondContact O-N 2.87Å; S8-E10 PolarHBondContact OG-OE1 2.81Å; E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 2.67Å; E10-A14 VanDerWaalsContact O-N 3.11Å
11L98.2Very high97.8Very high3 Ų356.5 Ų56.52%0.01629%0.293CS..Hα-helixtrans-74.7-40.9176.7-170.165.5000111.1I4 G6 S8 P9 A13 A14 A15 V47 F49I4-L11 HydrophobicContact CB-CD1 3.79Å; I4-L11 HydrophobicContact CB-CD2 4.45Å; I4-L11 HydrophobicContact CG2-CD1 3.96Å; I4-L11 HydrophobicContact CG2-CD2 3.96Å; G6-L11 WeakPolarHBondContact O-CD2 3.46Å; S8-L11 WeakPolarHBondContact O-CB 3.37Å; S8-L11 PolarHBondContact O-N 2.93Å; P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 2.98Å; L11-A13 VanDerWaalsContact C-N 3.35Å; L11-A14 WeakPolarHBondContact O-CB 3.49Å; L11-A14 PolarHBondContact O-N 3.5Å; L11-A15 PolarHBondContact O-N 2.83Å; L11-V47 HydrophobicContact CD1-CB 3.61Å; L11-V47 HydrophobicContact CD1-CG2 3.47Å; L11-V47 VanDerWaalsContact CD1-CG2 3.47Å; L11-V47 HydrophobicContact CG-CG2 3.95Å; L11-F49 HydrophobicContact CD1-CE2 3.96Å; L11-F49 HydrophobicContact CD1-CZ 4.06Å
12Q98.4Very high98.1Very high34 Ų3451 Ų5116%0.15927%0.266CS..Hα-helixtrans-61.6-44.5173.8-178.7173.27100110.9S8 P9 A14 A15 F16 T40 Y45S8-Q12 PolarHBondContact O-N 3.29Å; P9-Q12 PolarHBondContact O-N 2.86Å; Q12-A14 VanDerWaalsContact C-N 3.29Å; Q12-A14 PolarHBondContact O-N 3.1Å; Q12-A15 PolarHBondContact O-N 2.96Å; Q12-F16 VanDerWaalsContact CD-CZ 3.46Å; Q12-F16 HydrophobicContact CG-CD1 4.14Å; Q12-F16 HydrophobicContact CG-CD2 4.05Å; Q12-F16 HydrophobicContact CG-CE1 3.63Å; Q12-F16 HydrophobicContact CG-CE2 3.53Å; Q12-F16 HydrophobicContact CG-CG 4.33Å; Q12-F16 HydrophobicContact CG-CZ 3.28Å; Q12-F16 WeakPolarHBondContact O-CB 3.5Å; Q12-F16 WeakPolarHBondContact O-CD1 3.47Å; Q12-F16 VanDerWaalsContact O-CG 3.28Å; Q12-F16 WeakPolarHBondContact O-CG 3.39Å; Q12-F16 PolarHBondContact O-N 2.83Å; Q12-T40 PolarHBondContact NE2-O 2.91Å; Q12-Y45 HydrophobicContact CG-CE2 4.25Å
13A98.5Very high98.2Very high58 Ų5845.5 Ų45.548%0.47924%0.242SC..Hα-helixtrans-58.6-40.7174.800000112.1P9 L11 F16 F17P9-A13 WeakPolarHBondContact O-CB 3.47Å; P9-A13 PolarHBondContact O-N 2.86Å; L11-A13 VanDerWaalsContact C-N 3.35Å; A13-F16 PolarHBondContact O-N 3.19Å; A13-F17 WeakPolarHBondContact O-CB 3.49Å; A13-F17 PolarHBondContact O-N 3.33Å
14A98.5Very high98.2Very high12 Ų1241.4 Ų41.410%0.09922%0.224CC..Hα-helixtrans-65.2-42.3176.400000112.7E10 L11 Q12 L18 V47 F49 P54E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 2.67Å; E10-A14 VanDerWaalsContact O-N 3.11Å; L11-A14 WeakPolarHBondContact O-CB 3.49Å; L11-A14 PolarHBondContact O-N 3.5Å; Q12-A14 VanDerWaalsContact C-N 3.29Å; Q12-A14 PolarHBondContact O-N 3.1Å; A14-L18 PolarHBondContact O-N 3.24Å; A14-V47 HydrophobicContact CB-CG1 4.31Å; A14-F49 HydrophobicContact CB-CE1 3.75Å; A14-F49 HydrophobicContact CB-CZ 3.64Å; A14-P54 HydrophobicContact CB-CB 4.07Å; A14-P54 HydrophobicContact CB-CG 4.23Å
15A98.7Very high98.1Very high0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-63.6-44.6174.500000111.5L11 Q12 L18 R19 Y45 V47 T57L11-A15 PolarHBondContact O-N 2.83Å; Q12-A15 PolarHBondContact O-N 2.96Å; A15-L18 PolarHBondContact O-N 3.22Å; A15-R19 WeakPolarHBondContact O-CB 3.46Å; A15-R19 VanDerWaalsContact O-CG 3.25Å; A15-R19 WeakPolarHBondContact O-CG 3.42Å; A15-R19 PolarHBondContact O-N 3.48Å; A15-Y45 HydrophobicContact CB-CD1 3.53Å; A15-Y45 HydrophobicContact CB-CD2 4.42Å; A15-Y45 HydrophobicContact CB-CE1 4.02Å; A15-Y45 HydrophobicContact CB-CG 3.77Å; A15-V47 HydrophobicContact CB-CG2 4.03Å; A15-T57 HydrophobicContact CB-CG2 4.45Å; A15-T57 WeakPolarHBondContact CB-OG1 3.46Å
16F98.7Very high98Very high51 Ų5145.9 Ų45.922%0.22425%0.248CC..Hα-helixtrans-65.7-39.4179.3-70.4-0.2000112.5Q12 A13 L18 R19 Y20 F35 D39 Y45Q12-F16 VanDerWaalsContact CD-CZ 3.46Å; Q12-F16 HydrophobicContact CG-CD1 4.14Å; Q12-F16 HydrophobicContact CG-CD2 4.05Å; Q12-F16 HydrophobicContact CG-CE1 3.63Å; Q12-F16 HydrophobicContact CG-CE2 3.53Å; Q12-F16 HydrophobicContact CG-CG 4.33Å; Q12-F16 HydrophobicContact CG-CZ 3.28Å; Q12-F16 WeakPolarHBondContact O-CB 3.5Å; Q12-F16 WeakPolarHBondContact O-CD1 3.47Å; Q12-F16 VanDerWaalsContact O-CG 3.28Å; Q12-F16 WeakPolarHBondContact O-CG 3.39Å; Q12-F16 PolarHBondContact O-N 2.83Å; A13-F16 PolarHBondContact O-N 3.19Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 3.29Å; F16-R19 VanDerWaalsContact CE1-NH1 3.34Å; F16-R19 PolarHBondContact O-N 2.95Å; F16-Y20 VanDerWaalsContact O-CB 3.31Å; F16-Y20 WeakPolarHBondContact O-CB 3.36Å; F16-Y20 PolarHBondContact O-N 3.43Å; F16-F35 HydrophobicContact CB-CE1 3.73Å; F16-F35 HydrophobicContact CB-CZ 4.27Å; F16-F35 HydrophobicContact CD1-CD1 4.14Å; F16-F35 AromaticContact CD1-CE1 3.69Å; F16-F35 HydrophobicContact CD1-CE1 3.69Å; F16-F35 HydrophobicContact CD2-CD1 4.4Å; F16-F35 HydrophobicContact CD2-CE1 4.13Å; F16-F35 HydrophobicContact CE1-CD1 4.33Å; F16-F35 HydrophobicContact CE1-CE1 4.33Å; F16-F35 HydrophobicContact CG-CD1 4.19Å; F16-F35 AromaticContact CG-CE1 3.59Å; F16-F35 HydrophobicContact CG-CE1 3.59Å; F16-D39 HydrophobicContact CE1-CB 4.22Å; F16-D39 HydrophobicContact CZ-CB 3.81Å; F16-Y45 HydrophobicContact CE1-CE2 4.41Å
17F98.4Very high97.8Very high103 Ų10348 Ų4845%0.45225%0.253SS..Hα-helixtrans-55.8-50174.2173.4-93.6000111.1A13 Y20 Q21 P54A13-F17 WeakPolarHBondContact O-CB 3.49Å; A13-F17 PolarHBondContact O-N 3.33Å; F17-Y20 PolarHBondContact O-N 2.99Å; F17-Q21 VanDerWaalsContact CE1-CD 3.42Å; F17-Q21 HydrophobicContact CE1-CG 4.44Å; F17-Q21 HydrophobicContact CZ-CG 4.45Å; F17-Q21 VanDerWaalsContact CZ-NE2 3.25Å; F17-Q21 WeakPolarHBondContact O-CG 3.45Å; F17-Q21 PolarHBondContact O-N 3.11Å; F17-Q21 VanDerWaalsContact O-N 3.09Å; F17-P54 HydrophobicContact CD1-CG 3.68Å; F17-P54 HydrophobicContact CE1-CG 4.27Å
18L98.4Very high97.7Very high0 Ų052.8 Ų52.80%027%0.274CS..Hα-helixtrans-69.8-39.8-178.8-173.760.1000112.4A14 A15 F16 Q21 V22 A56 T57 H76A14-L18 PolarHBondContact O-N 3.24Å; A15-L18 PolarHBondContact O-N 3.22Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 3.29Å; L18-Q21 PolarHBondContact O-N 3Å; L18-V22 HydrophobicContact CD1-CG2 4.21Å; L18-V22 WeakPolarHBondContact O-CG2 3.28Å; L18-V22 PolarHBondContact O-N 3.22Å; L18-A56 VanDerWaalsContact CD2-CA 3.48Å; L18-T57 HydrophobicContact CB-CG2 4.34Å; L18-T57 HydrophobicContact CD2-CG2 3.99Å; L18-T57 HydrophobicContact CG-CG2 4.41Å; L18-H76 HydrophobicContact CD1-CB 3.72Å
19R98.5Very high97.6Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-59.8-44.5173.7-77.3168.961.7-170.2-5.2111.8A15 F16 Q21 V22 F23 E34 F35 D39 Y45 T57 R72A15-R19 WeakPolarHBondContact O-CB 3.46Å; A15-R19 VanDerWaalsContact O-CG 3.25Å; A15-R19 WeakPolarHBondContact O-CG 3.42Å; A15-R19 PolarHBondContact O-N 3.48Å; F16-R19 VanDerWaalsContact CE1-NH1 3.34Å; F16-R19 PolarHBondContact O-N 2.95Å; R19-Q21 VanDerWaalsContact C-N 3.34Å; R19-Q21 PolarHBondContact O-N 3.45Å; R19-V22 PolarHBondContact O-N 3.36Å; R19-F23 HydrophobicContact CB-CD2 4Å; R19-F23 HydrophobicContact CG-CD2 3.99Å; R19-F23 HydrophobicContact CG-CE2 4.02Å; R19-F23 WeakPolarHBondContact O-CB 3.4Å; R19-F23 PolarHBondContact O-N 3.43Å; R19-E34 WeakPolarHBondContact CB-OE1 3.45Å; R19-E34 IonicContact CZ-OE1 3.63Å; R19-E34 IonicContact NE-OE1 3.94Å; R19-E34 PolarHBondContact NE-OE1 2.9Å; R19-E34 PolarHBondContact NH2-O 2.87Å; R19-E34 IonicContact NH2-OE1 3.41Å; R19-E34 PolarHBondContact NH2-OE1 3.45Å; R19-F35 HydrophobicContact CB-CZ 4.38Å; R19-D39 IonicContact CZ-OD1 2.71Å; R19-D39 IonicContact CZ-OD2 3.64Å; R19-D39 IonicContact NH1-OD1 3.73Å; R19-D39 PolarHBondContact NH1-OD1 3.29Å; R19-D39 IonicContact NH1-OD2 2.76Å; R19-D39 IonicContact NH2-OD1 3.52Å; R19-D39 PolarHBondContact NH2-OD1 3.14Å; R19-D39 IonicContact NH2-OD2 3.56Å; R19-D39 PolarHBondContact NH2-OD2 3.34Å; R19-Y45 PolarHBondContact NH1-OH 3.3Å; R19-T57 HydrophobicContact CG-CG2 4.2Å; R19-R72 HydrophobicContact CG-CB 4.36Å
20Y98.6Very high97.5Very high103 Ų10351.3 Ų51.340%0.40426%0.257SS..Iπ-helixtrans-62.4-42.3176.3-162-77.5000111.4F16 F17 V24 L25 P31 F35F16-Y20 VanDerWaalsContact O-CB 3.31Å; F16-Y20 WeakPolarHBondContact O-CB 3.36Å; F16-Y20 PolarHBondContact O-N 3.43Å; F17-Y20 PolarHBondContact O-N 2.99Å; Y20-V24 HydrophobicContact CD1-CB 4.22Å; Y20-V24 HydrophobicContact CD1-CG1 4.41Å; Y20-V24 HydrophobicContact CD2-CB 4.32Å; Y20-V24 HydrophobicContact CD2-CG2 4.08Å; Y20-V24 HydrophobicContact CE1-CB 4.32Å; Y20-V24 HydrophobicContact CE1-CG1 4Å; Y20-V24 HydrophobicContact CE2-CB 4.42Å; Y20-V24 HydrophobicContact CE2-CG1 4.11Å; Y20-V24 HydrophobicContact CE2-CG2 4.33Å; Y20-V24 HydrophobicContact CG-CB 4.21Å; Y20-V24 HydrophobicContact CG-CG2 4.3Å; Y20-V24 VanDerWaalsContact O-CB 3.29Å; Y20-V24 WeakPolarHBondContact O-CB 3.47Å; Y20-V24 PolarHBondContact O-N 3.19Å; Y20-L25 HydrophobicContact CD1-CD1 4.03Å; Y20-L25 HydrophobicContact CD1-CD2 4.4Å; Y20-L25 HydrophobicContact CD1-CG 3.83Å; Y20-L25 HydrophobicContact CE1-CD1 4.11Å; Y20-L25 HydrophobicContact CE1-CD2 3.8Å; Y20-L25 HydrophobicContact CE1-CG 3.75Å; Y20-L25 PolarHBondContact O-N 3.09Å; Y20-P31 HydrophobicContact CE2-CG 4.42Å; Y20-F35 AromaticContact CD2-CE2 3.72Å; Y20-F35 HydrophobicContact CD2-CE2 3.72Å; Y20-F35 HydrophobicContact CD2-CZ 4.18Å
21Q98.2Very high97.5Very high54 Ų5447.1 Ų47.125%0.25224%0.242SC..Iπ-helixtrans-62.5-45.4176.6-72.2-178.8-43.400112.6F17 L18 R19 L25 E26F17-Q21 VanDerWaalsContact CE1-CD 3.42Å; F17-Q21 HydrophobicContact CE1-CG 4.44Å; F17-Q21 HydrophobicContact CZ-CG 4.45Å; F17-Q21 VanDerWaalsContact CZ-NE2 3.25Å; F17-Q21 WeakPolarHBondContact O-CG 3.45Å; F17-Q21 PolarHBondContact O-N 3.11Å; F17-Q21 VanDerWaalsContact O-N 3.09Å; L18-Q21 PolarHBondContact O-N 3Å; R19-Q21 VanDerWaalsContact C-N 3.34Å; R19-Q21 PolarHBondContact O-N 3.45Å; Q21-L25 WeakPolarHBondContact O-CB 3.49Å; Q21-E26 PolarHBondContact O-N 3.08Å; Q21-E26 VanDerWaalsContact O-N 3.13Å
22V97.2Very high97.3Very high5 Ų553.3 Ų53.33%0.0327%0.27CS..Iπ-helixtrans-84.8-54.6-173.3178.20000112.3L18 R19 E26 Q27 C74L18-V22 HydrophobicContact CD1-CG2 4.21Å; L18-V22 WeakPolarHBondContact O-CG2 3.28Å; L18-V22 PolarHBondContact O-N 3.22Å; R19-V22 PolarHBondContact O-N 3.36Å; V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-Q27 WeakPolarHBondContact O-CG 3.48Å; V22-Q27 PolarHBondContact O-N 3.25Å; V22-C74 HydrophobicContact CB-CB 4.07Å; V22-C74 HydrophobicContact CG1-CB 3.88Å; V22-C74 HydrophobicContact CG2-CB 4.18Å
23F96.6Very high97.2Very high13 Ų1355 Ų556%0.05728%0.28CS..Iπ-helixtrans-78.9-45.4-173.9-63.2-58.3000111.5R19 Q27 N28 I29 E34 R72 C74R19-F23 HydrophobicContact CB-CD2 4Å; R19-F23 HydrophobicContact CG-CD2 3.99Å; R19-F23 HydrophobicContact CG-CE2 4.02Å; R19-F23 WeakPolarHBondContact O-CB 3.4Å; R19-F23 PolarHBondContact O-N 3.43Å; F23-Q27 WeakPolarHBondContact O-CB 3.47Å; F23-N28 PolarHBondContact O-N 3.49Å; F23-I29 HydrophobicContact CB-CD1 4.16Å; F23-I29 HydrophobicContact CD1-CD1 4.29Å; F23-I29 WeakPolarHBondContact O-CB 3.32Å; F23-I29 PolarHBondContact O-N 3.42Å; F23-E34 HydrophobicContact CB-CG 3.98Å; F23-E34 VanDerWaalsContact CB-OE2 3.29Å; F23-E34 WeakPolarHBondContact CB-OE2 3.33Å; F23-E34 WeakPolarHBondContact CD2-OE1 3.3Å; F23-E34 WeakPolarHBondContact CD2-OE2 3.39Å; F23-E34 WeakPolarHBondContact CG-OE2 3.27Å; F23-R72 HydrophobicContact CE2-CB 3.98Å; F23-C74 HydrophobicContact CE2-CB 3.86Å; F23-C74 HydrophobicContact CZ-CB 3.75Å
24V97.3Very high97.1Very high13 Ų1352.2 Ų52.28%0.07926%0.257CS..Iπ-helixtrans-78.4-59.7-178.3-179.10000111.8Y20 N28 I29 P31 E34 F35Y20-V24 HydrophobicContact CD1-CB 4.22Å; Y20-V24 HydrophobicContact CD1-CG1 4.41Å; Y20-V24 HydrophobicContact CD2-CB 4.32Å; Y20-V24 HydrophobicContact CD2-CG2 4.08Å; Y20-V24 HydrophobicContact CE1-CB 4.32Å; Y20-V24 HydrophobicContact CE1-CG1 4Å; Y20-V24 HydrophobicContact CE2-CB 4.42Å; Y20-V24 HydrophobicContact CE2-CG1 4.11Å; Y20-V24 HydrophobicContact CE2-CG2 4.33Å; Y20-V24 HydrophobicContact CG-CB 4.21Å; Y20-V24 HydrophobicContact CG-CG2 4.3Å; Y20-V24 VanDerWaalsContact O-CB 3.29Å; Y20-V24 WeakPolarHBondContact O-CB 3.47Å; Y20-V24 PolarHBondContact O-N 3.19Å; V24-N28 WeakPolarHBondContact O-CA 3.23Å; V24-N28 PolarHBondContact O-N 3.33Å; V24-N28 VanDerWaalsContact O-N 3.1Å; V24-I29 WeakPolarHBondContact CA-O 3.35Å; V24-P31 HydrophobicContact CG1-CG 3.87Å; V24-E34 HydrophobicContact CG2-CB 3.84Å; V24-E34 HydrophobicContact CG2-CG 3.97Å; V24-F35 HydrophobicContact CG2-CE2 4.2Å
25L97.7Very high97Very high109 Ų10954.3 Ų54.357%0.57126%0.264SS*.Iπ-helixtrans-77.3-40.9-171.1-64.6179.3000113.5Y20 Q21Y20-L25 HydrophobicContact CD1-CD1 4.03Å; Y20-L25 HydrophobicContact CD1-CD2 4.4Å; Y20-L25 HydrophobicContact CD1-CG 3.83Å; Y20-L25 HydrophobicContact CE1-CD1 4.11Å; Y20-L25 HydrophobicContact CE1-CD2 3.8Å; Y20-L25 HydrophobicContact CE1-CG 3.75Å; Y20-L25 PolarHBondContact O-N 3.09Å; Q21-L25 WeakPolarHBondContact O-CB 3.49Å
26E96Very high96.9Very high83 Ų8356.2 Ų56.239%0.38827%0.274SS..Iπ-helixtrans-85.1-47.7-177.6173.9-175.2170.900112.2Q21 V22 N28 P77 R80Q21-E26 PolarHBondContact O-N 3.08Å; Q21-E26 VanDerWaalsContact O-N 3.13Å; V22-E26 WeakPolarHBondContact O-CB 3.42Å; E26-N28 PolarHBondContact O-ND2 2.9Å; E26-P77 WeakPolarHBondContact OE2-CG 3.23Å; E26-R80 IonicContact OE1-CZ 3.29Å; E26-R80 VanDerWaalsContact OE1-CZ 3.27Å; E26-R80 IonicContact OE1-NH1 3.27Å; E26-R80 PolarHBondContact OE1-NH1 3.34Å; E26-R80 IonicContact OE1-NH2 2.68Å; E26-R80 PolarHBondContact OE1-NH2 3.07Å; E26-R80 IonicContact OE2-CZ 3.78Å; E26-R80 IonicContact OE2-NH1 3.57Å; E26-R80 IonicContact OE2-NH2 3.62Å; E26-R80 PolarHBondContact OE2-NH2 3.37Å
27Q94.1Very high96.8Very high59 Ų5961.2 Ų61.228%0.27630%0.299SS..THydrogen-bonded Turntrans-86.2-8-179.5-63.3-175.71.800114.2V22 F23 I29 E109V22-Q27 WeakPolarHBondContact O-CG 3.48Å; V22-Q27 PolarHBondContact O-N 3.25Å; F23-Q27 WeakPolarHBondContact O-CB 3.47Å; Q27-I29 VanDerWaalsContact C-N 3.29Å; Q27-I29 HydrophobicContact CB-CG1 4.21Å; Q27-I29 PolarHBondContact O-N 3.38Å; Q27-E109 PolarHBondContact NE2-OE1 3.31Å; Q27-E109 PolarHBondContact OE1-OE1 3.24Å
28N95.8Very high96.7Very high134 Ų13459 Ų5972%0.71729%0.291SS*.  trans62.729.9-178.2-54.9-85.8000114.1F23 V24 E26F23-N28 PolarHBondContact O-N 3.49Å; V24-N28 WeakPolarHBondContact O-CA 3.23Å; V24-N28 PolarHBondContact O-N 3.33Å; V24-N28 VanDerWaalsContact O-N 3.1Å; E26-N28 PolarHBondContact O-ND2 2.9Å
29I95.3Very high96.7Very high13 Ų1360.3 Ų60.37%0.06730%0.298CS..  trans-73.4135.8170-58.8-178.9000108.9F23 V24 Q27 L33 E34 D131 I133F23-I29 HydrophobicContact CB-CD1 4.16Å; F23-I29 HydrophobicContact CD1-CD1 4.29Å; F23-I29 WeakPolarHBondContact O-CB 3.32Å; F23-I29 PolarHBondContact O-N 3.42Å; V24-I29 WeakPolarHBondContact CA-O 3.35Å; Q27-I29 VanDerWaalsContact C-N 3.29Å; Q27-I29 HydrophobicContact CB-CG1 4.21Å; Q27-I29 PolarHBondContact O-N 3.38Å; I29-L33 HydrophobicContact CG2-CB 3.89Å; I29-E34 HydrophobicContact CG2-CB 4.26Å; I29-D131 HydrophobicContact CD1-CB 4.4Å; I29-D131 HydrophobicContact CG2-CB 4.11Å; I29-I133 HydrophobicContact CD1-CD1 3.62Å; I29-I133 HydrophobicContact CG1-CD1 3.95Å
30L96.1Very high96.7Very high95 Ų9563.2 Ų63.250%0.49732%0.316SS..  trans-62.2137.4177.4-67.2175.7000110.7E32 L33 E34L30-E32 HydrophobicContact CB-CG 4.25Å; L30-E32 PolarHBondContact O-N 3.03Å; L30-E32 VanDerWaalsContact O-N 3.13Å; L30-L33 HydrophobicContact CB-CD1 4.2Å; L30-L33 HydrophobicContact CB-CG 4.23Å; L30-L33 HydrophobicContact CD1-CD1 4.45Å; L30-L33 PolarHBondContact O-N 3.09Å; L30-E34 PolarHBondContact O-N 3.33Å; L30-E34 VanDerWaalsContact O-N 3.07Å
31P97.3Very high96.6Very high48 Ų4861.9 Ų61.931%0.31233%0.326SS..Hα-helixtrans-52.5-37.3-179.9-2733.5000114.1Y20 V24 L33 E34 F35Y20-P31 HydrophobicContact CE2-CG 4.42Å; V24-P31 HydrophobicContact CG1-CG 3.87Å; P31-L33 VanDerWaalsContact C-N 3.26Å; P31-L33 PolarHBondContact O-N 3.08Å; P31-E34 PolarHBondContact O-N 2.94Å; P31-F35 WeakPolarHBondContact O-CD2 3.44Å; P31-F35 PolarHBondContact O-N 3.2Å
32E96Very high96.5Very high132 Ų13266 Ų6662%0.61735%0.35SS*.Hα-helixtrans-70.7-15.5178.762.8-92.9-146.100114.9L30L30-E32 HydrophobicContact CB-CG 4.25Å; L30-E32 PolarHBondContact O-N 3.03Å; L30-E32 VanDerWaalsContact O-N 3.13Å
33L95.3Very high96.6Very high69 Ų6968 Ų6836%0.36136%0.357SS..Hα-helixtrans-92.6-36.6171.3-63.6177.5000110.9I29 L30 P31 R72 D131I29-L33 HydrophobicContact CG2-CB 3.89Å; L30-L33 HydrophobicContact CB-CD1 4.2Å; L30-L33 HydrophobicContact CB-CG 4.23Å; L30-L33 HydrophobicContact CD1-CD1 4.45Å; L30-L33 PolarHBondContact O-N 3.09Å; P31-L33 VanDerWaalsContact C-N 3.26Å; P31-L33 PolarHBondContact O-N 3.08Å; L33-R72 PolarHBondContact O-NH2 3.2Å; L33-D131 HydrophobicContact CB-CB 4.37Å; L33-D131 HydrophobicContact CD1-CB 4.43Å
34E96.2Very high96.6Very high1 Ų170.7 Ų70.71%0.00537%0.37CS..Hα-helixtrans-69-41178.2174.749.7-150.800112.2R19 F23 V24 I29 L30 P31 R72R19-E34 WeakPolarHBondContact CB-OE1 3.45Å; R19-E34 IonicContact CZ-OE1 3.63Å; R19-E34 IonicContact NE-OE1 3.94Å; R19-E34 PolarHBondContact NE-OE1 2.9Å; R19-E34 PolarHBondContact NH2-O 2.87Å; R19-E34 IonicContact NH2-OE1 3.41Å; R19-E34 PolarHBondContact NH2-OE1 3.45Å; F23-E34 HydrophobicContact CB-CG 3.98Å; F23-E34 VanDerWaalsContact CB-OE2 3.29Å; F23-E34 WeakPolarHBondContact CB-OE2 3.33Å; F23-E34 WeakPolarHBondContact CD2-OE1 3.3Å; F23-E34 WeakPolarHBondContact CD2-OE2 3.39Å; F23-E34 WeakPolarHBondContact CG-OE2 3.27Å; V24-E34 HydrophobicContact CG2-CB 3.84Å; V24-E34 HydrophobicContact CG2-CG 3.97Å; I29-E34 HydrophobicContact CG2-CB 4.26Å; L30-E34 PolarHBondContact O-N 3.33Å; L30-E34 VanDerWaalsContact O-N 3.07Å; P31-E34 PolarHBondContact O-N 2.94Å; E34-R72 WeakPolarHBondContact OE1-CD 3.36Å; E34-R72 IonicContact OE1-NE 3.33Å; E34-R72 WeakPolarHBondContact OE2-CD 3.31Å; E34-R72 IonicContact OE2-CZ 3.78Å; E34-R72 IonicContact OE2-NE 3.67Å; E34-R72 PolarHBondContact OE2-NE 2.73Å
35F97.5Very high96.7Very high56 Ų5670.1 Ų70.125%0.24637%0.366CS..SBendtrans-106.5113.6-178.3-61.2-80.2000111.1F16 R19 Y20 V24 P31 D39F16-F35 HydrophobicContact CB-CE1 3.73Å; F16-F35 HydrophobicContact CB-CZ 4.27Å; F16-F35 HydrophobicContact CD1-CD1 4.14Å; F16-F35 AromaticContact CD1-CE1 3.69Å; F16-F35 HydrophobicContact CD1-CE1 3.69Å; F16-F35 HydrophobicContact CD2-CD1 4.4Å; F16-F35 HydrophobicContact CD2-CE1 4.13Å; F16-F35 HydrophobicContact CE1-CD1 4.33Å; F16-F35 HydrophobicContact CE1-CE1 4.33Å; F16-F35 HydrophobicContact CG-CD1 4.19Å; F16-F35 AromaticContact CG-CE1 3.59Å; F16-F35 HydrophobicContact CG-CE1 3.59Å; R19-F35 HydrophobicContact CB-CZ 4.38Å; Y20-F35 AromaticContact CD2-CE2 3.72Å; Y20-F35 HydrophobicContact CD2-CE2 3.72Å; Y20-F35 HydrophobicContact CD2-CZ 4.18Å; V24-F35 HydrophobicContact CG2-CE2 4.2Å; P31-F35 WeakPolarHBondContact O-CD2 3.44Å; P31-F35 PolarHBondContact O-N 3.2Å; F35-D39 VanDerWaalsContact CA-OD2 3.31Å; F35-D39 WeakPolarHBondContact CA-OD2 3.25Å
36D96.1Very high96.8Very high39 Ų3965 Ų6521%0.20934%0.339CS..  trans-123.5-177.6-164.967.122.1000112.8L38 D39 R59D36-L38 PolarHBondContact O-N 2.68Å; D36-L38 WeakPolarHBondContact OD1-CA 3.41Å; D36-L38 WeakPolarHBondContact OD1-CB 3.48Å; D36-L38 PolarHBondContact OD1-N 2.83Å; D36-D39 PolarHBondContact N-OD2 2.87Å; D36-D39 WeakPolarHBondContact O-CB 3.29Å; D36-D39 PolarHBondContact O-N 2.68Å; D36-D39 PolarHBondContact OD1-N 3Å; D36-R59 IonicContact OD1-CZ 3.52Å; D36-R59 IonicContact OD1-NH1 2.86Å; D36-R59 PolarHBondContact OD1-NH1 3.12Å; D36-R59 IonicContact OD1-NH2 3.05Å; D36-R59 IonicContact OD2-CZ 3.2Å; D36-R59 IonicContact OD2-NH1 3Å; D36-R59 PolarHBondContact OD2-NH1 3.45Å; D36-R59 IonicContact OD2-NH2 2.67Å; D36-R59 PolarHBondContact OD2-NH2 3.28Å
37Q96.7Very high96.9Very high157 Ų15761 Ų6173%0.73432%0.32SS*.THydrogen-bonded Turntrans-66.6-11.6177.472.1-75.5-3.500114.5D39 T40Q37-D39 VanDerWaalsContact C-N 3.31Å; Q37-T40 WeakPolarHBondContact O-CG2 3.36Å
38L96.7Very high97.1Very high56 Ų5658.2 Ų58.229%0.29331%0.307SS..THydrogen-bonded Turntrans-83.9-12.3177.1-55.5175.3000111.7D36 T40 R43D36-L38 PolarHBondContact O-N 2.68Å; D36-L38 WeakPolarHBondContact OD1-CA 3.41Å; D36-L38 WeakPolarHBondContact OD1-CB 3.48Å; D36-L38 PolarHBondContact OD1-N 2.83Å; L38-T40 PolarHBondContact O-N 2.98Å; L38-R43 PolarHBondContact O-NE 3.45Å; L38-R43 PolarHBondContact O-NH2 3.29Å
39D97.7Very high97.2Very high28 Ų2852.9 Ų52.915%0.1528%0.278CS..  trans-7754.9174.5-67.9-35.3000112.4F16 R19 F35 D36 Q37 Y45 R59F16-D39 HydrophobicContact CE1-CB 4.22Å; F16-D39 HydrophobicContact CZ-CB 3.81Å; R19-D39 IonicContact CZ-OD1 2.71Å; R19-D39 IonicContact CZ-OD2 3.64Å; R19-D39 IonicContact NH1-OD1 3.73Å; R19-D39 PolarHBondContact NH1-OD1 3.29Å; R19-D39 IonicContact NH1-OD2 2.76Å; R19-D39 IonicContact NH2-OD1 3.52Å; R19-D39 PolarHBondContact NH2-OD1 3.14Å; R19-D39 IonicContact NH2-OD2 3.56Å; R19-D39 PolarHBondContact NH2-OD2 3.34Å; F35-D39 VanDerWaalsContact CA-OD2 3.31Å; F35-D39 WeakPolarHBondContact CA-OD2 3.25Å; D36-D39 PolarHBondContact N-OD2 2.87Å; D36-D39 WeakPolarHBondContact O-CB 3.29Å; D36-D39 PolarHBondContact O-N 2.68Å; D36-D39 PolarHBondContact OD1-N 3Å; Q37-D39 VanDerWaalsContact C-N 3.31Å; D39-Y45 PolarHBondContact OD1-OH 2.99Å; D39-R59 IonicContact OD1-CZ 2.85Å; D39-R59 IonicContact OD1-NH1 2.68Å; D39-R59 PolarHBondContact OD1-NH1 2.99Å; D39-R59 IonicContact OD2-NH1 3.21Å
40T97.3Very high97.3Very high61 Ų6155.3 Ų55.337%0.37429%0.291SS..  trans-79.6165.6179.669.60000112.5Q12 Q37 L38 D42 R43Q12-T40 PolarHBondContact NE2-O 2.91Å; Q37-T40 WeakPolarHBondContact O-CG2 3.36Å; L38-T40 PolarHBondContact O-N 2.98Å; T40-D42 PolarHBondContact O-N 2.79Å; T40-R43 VanDerWaalsContact O-CB 3.29Å; T40-R43 WeakPolarHBondContact O-CB 3.35Å; T40-R43 PolarHBondContact O-N 2.83Å; T40-R43 VanDerWaalsContact O-N 3.14Å; T40-R43 PolarHBondContact OG1-N 3.34Å
41A96.9Very high97.3Very high74 Ų7459.1 Ų59.161%0.61231%0.306SS*.THydrogen-bonded Turntrans-63.1-26.8176.800000113.6
42D97.1Very high97.2Very high140 Ų14065.3 Ų65.375%0.74933%0.331SS*.THydrogen-bonded Turntrans-93.3-0.4179-58.2-50.2000112.6T40 Q44T40-D42 PolarHBondContact O-N 2.79Å; D42-Q44 PolarHBondContact O-N 3.4Å
43R97.9Very high97.2Very high49 Ų4963.2 Ų63.219%0.18532%0.323CS..  trans-65.9124.4-179.2-179.958.963.1-163.40.3110.1A7 L38 T40 Y45 R59 Y60A7-R43 WeakPolarHBondContact CB-O 3.35Å; L38-R43 PolarHBondContact O-NE 3.45Å; L38-R43 PolarHBondContact O-NH2 3.29Å; T40-R43 VanDerWaalsContact O-CB 3.29Å; T40-R43 WeakPolarHBondContact O-CB 3.35Å; T40-R43 PolarHBondContact O-N 2.83Å; T40-R43 VanDerWaalsContact O-N 3.14Å; T40-R43 PolarHBondContact OG1-N 3.34Å; R43-Y45 HydrophobicContact CB-CE2 3.95Å; R43-Y45 HydrophobicContact CG-CD2 4.3Å; R43-Y45 HydrophobicContact CG-CE2 3.49Å; R43-Y45 VanDerWaalsContact CG-CE2 3.49Å; R43-Y45 WeakPolarHBondContact O-CD2 3.31Å; R43-R59 HydrophobicContact CG-CG 3.86Å; R43-Y60 WeakPolarHBondContact CD-O 3.49Å; R43-Y60 PolarHBondContact NH1-O 2.88Å
44Q98.4Very high97.3Very high69 Ų6960.5 Ų60.532%0.32231%0.309SS..EExtended strand (participates in β ladder)trans-82.7141.7177.7-67.3-179.9-4500112.3F5 G6 A7 D42 Y60F5-Q44 HydrophobicContact CE2-CB 4.11Å; F5-Q44 HydrophobicContact CZ-CB 3.95Å; F5-Q44 HydrophobicContact CZ-CG 4.35Å; G6-Q44 CarbonylContact O-C 3.6Å; G6-Q44 VanDerWaalsContact O-CA 3.27Å; G6-Q44 WeakPolarHBondContact O-CA 3.17Å; A7-Q44 HydrophobicContact CB-CG 4.24Å; D42-Q44 PolarHBondContact O-N 3.4Å; Q44-Y60 HydrophobicContact CB-CD1 4.24Å; Q44-Y60 PolarHBondContact O-N 3.42Å
45Y98.7Very high97.5Very high0 Ų060.5 Ų60.50%031%0.309CS..EExtended strand (participates in β ladder)trans-129.5148.7173.3-68.2-87.4000109.8F5 G6 Q12 A15 F16 R19 D39 R43 V58 R59F5-Y45 WeakPolarHBondContact CA-O 3.46Å; F5-Y45 WeakPolarHBondContact CD2-O 3.22Å; G6-Y45 PolarHBondContact N-O 2.95Å; G6-Y45 PolarHBondContact O-N 3.44Å; Q12-Y45 HydrophobicContact CG-CE2 4.25Å; A15-Y45 HydrophobicContact CB-CD1 3.53Å; A15-Y45 HydrophobicContact CB-CD2 4.42Å; A15-Y45 HydrophobicContact CB-CE1 4.02Å; A15-Y45 HydrophobicContact CB-CG 3.77Å; F16-Y45 HydrophobicContact CE1-CE2 4.41Å; R19-Y45 PolarHBondContact NH1-OH 3.3Å; D39-Y45 PolarHBondContact OD1-OH 2.99Å; R43-Y45 HydrophobicContact CB-CE2 3.95Å; R43-Y45 HydrophobicContact CG-CD2 4.3Å; R43-Y45 HydrophobicContact CG-CE2 3.49Å; R43-Y45 VanDerWaalsContact CG-CE2 3.49Å; R43-Y45 WeakPolarHBondContact O-CD2 3.31Å; Y45-V58 WeakPolarHBondContact CA-O 3.43Å; Y45-R59 HydrophobicContact CD1-CB 4.08Å; Y45-R59 HydrophobicContact CD1-CG 4.41Å; Y45-R59 HydrophobicContact CE1-CB 3.58Å; Y45-R59 HydrophobicContact CE1-CG 3.69Å; Y45-R59 VanDerWaalsContact OH-CD 3.29Å; Y45-R59 WeakPolarHBondContact OH-CD 3.45Å
46L98.8Very high97.5Very high1 Ų157.8 Ų57.81%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-104.9122.4160.1175.964.4000107.8I4 F5 F48 T57 V58 L88 R91 I92I4-L46 WeakPolarHBondContact O-CA 3.46Å; F5-L46 HydrophobicContact CB-CD1 4.09Å; F5-L46 HydrophobicContact CD2-CB 4.03Å; L46-F48 HydrophobicContact CD1-CD1 4.36Å; L46-F48 HydrophobicContact CD1-CE1 3.95Å; L46-F48 HydrophobicContact CD2-CE1 3.87Å; L46-F48 HydrophobicContact CD2-CZ 4.25Å; L46-F48 HydrophobicContact CG-CD1 4.34Å; L46-F48 HydrophobicContact CG-CE1 3.91Å; L46-T57 CarbonylContact O-C 3.53Å; L46-T57 VanDerWaalsContact O-CA 3.23Å; L46-T57 WeakPolarHBondContact O-CA 3.38Å; L46-T57 PolarHBondContact O-OG1 2.93Å; L46-V58 HydrophobicContact CB-CG1 3.9Å; L46-V58 HydrophobicContact CD2-CG1 4.46Å; L46-V58 PolarHBondContact N-O 3.13Å; L46-V58 VanDerWaalsContact N-O 3.09Å; L46-V58 PolarHBondContact O-N 3.26Å; L46-V58 VanDerWaalsContact O-N 3.08Å; L46-L88 HydrophobicContact CB-CD2 4.34Å; L46-L88 HydrophobicContact CD2-CB 4.49Å; L46-L88 HydrophobicContact CD2-CD2 3.61Å; L46-L88 HydrophobicContact CG-CD2 3.69Å; L46-R91 HydrophobicContact CD1-CG 4.28Å; L46-R91 HydrophobicContact CD2-CB 3.71Å; L46-R91 HydrophobicContact CD2-CG 3.58Å; L46-I92 HydrophobicContact CB-CG2 4.02Å; L46-I92 HydrophobicContact CD2-CG2 3.81Å
47V98.8Very high97.6Very high0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-123.4131.7176.3-1710000110.1I4 L11 A14 A15 F49 P54 A56I4-V47 PolarHBondContact N-O 2.97Å; I4-V47 PolarHBondContact O-N 2.64Å; L11-V47 HydrophobicContact CD1-CB 3.61Å; L11-V47 HydrophobicContact CD1-CG2 3.47Å; L11-V47 VanDerWaalsContact CD1-CG2 3.47Å; L11-V47 HydrophobicContact CG-CG2 3.95Å; A14-V47 HydrophobicContact CB-CG1 4.31Å; A15-V47 HydrophobicContact CB-CG2 4.03Å; V47-F49 HydrophobicContact CB-CD2 4.42Å; V47-F49 HydrophobicContact CB-CE2 3.65Å; V47-F49 HydrophobicContact CB-CZ 3.96Å; V47-F49 HydrophobicContact CG1-CD2 4.11Å; V47-F49 HydrophobicContact CG1-CE1 4.13Å; V47-F49 HydrophobicContact CG1-CE2 3.55Å; V47-F49 HydrophobicContact CG1-CZ 3.56Å; V47-P54 HydrophobicContact CG1-CB 3.71Å; V47-A56 CarbonylContact C-O 3.6Å; V47-A56 WeakPolarHBondContact CA-O 3.45Å
48F98.7Very high97.7Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-96.7138168.8-63.9-11.3000109.8M1 K2 E3 L46 I55 A56 L84 K87 L88M1-F48 HydrophobicContact CG-CB 4.26Å; M1-F48 HydrophobicContact SD-CB 4.12Å; M1-F48 HydrophobicContact SD-CD2 3.93Å; M1-F48 HydrophobicContact SD-CG 4.14Å; K2-F48 CarbonylContact O-C 3.59Å; K2-F48 WeakPolarHBondContact O-CA 3.18Å; E3-F48 HydrophobicContact CB-CD1 3.78Å; E3-F48 HydrophobicContact CB-CE1 3.76Å; E3-F48 VanDerWaalsContact CD-CE1 3.41Å; E3-F48 HydrophobicContact CG-CD1 3.5Å; E3-F48 VanDerWaalsContact CG-CD1 3.5Å; E3-F48 HydrophobicContact CG-CE1 3.45Å; E3-F48 VanDerWaalsContact CG-CE1 3.45Å; E3-F48 HydrophobicContact CG-CG 4.32Å; E3-F48 HydrophobicContact CG-CZ 4.26Å; E3-F48 WeakPolarHBondContact OE2-CE1 3.45Å; L46-F48 HydrophobicContact CD1-CD1 4.36Å; L46-F48 HydrophobicContact CD1-CE1 3.95Å; L46-F48 HydrophobicContact CD2-CE1 3.87Å; L46-F48 HydrophobicContact CD2-CZ 4.25Å; L46-F48 HydrophobicContact CG-CD1 4.34Å; L46-F48 HydrophobicContact CG-CE1 3.91Å; F48-I55 HydrophobicContact CB-CD1 4.47Å; F48-I55 HydrophobicContact CB-CG1 4.02Å; F48-I55 VanDerWaalsContact O-CG1 3.26Å; F48-I55 WeakPolarHBondContact O-CG1 3.32Å; F48-I55 PolarHBondContact O-N 2.99Å; F48-A56 HydrophobicContact CB-CB 4.16Å; F48-A56 HydrophobicContact CD2-CB 4.08Å; F48-A56 HydrophobicContact CG-CB 4.41Å; F48-A56 PolarHBondContact N-O 3.1Å; F48-A56 PolarHBondContact O-N 2.93Å; F48-L84 HydrophobicContact CD2-CD2 4.27Å; F48-K87 HydrophobicContact CE2-CB 3.71Å; F48-K87 HydrophobicContact CZ-CB 4.04Å; F48-L88 HydrophobicContact CD1-CD2 3.95Å; F48-L88 HydrophobicContact CD2-CD2 3.95Å; F48-L88 HydrophobicContact CD2-CG 4.19Å; F48-L88 HydrophobicContact CE1-CD2 3.81Å; F48-L88 HydrophobicContact CE2-CD2 3.78Å; F48-L88 HydrophobicContact CE2-CG 3.86Å; F48-L88 HydrophobicContact CG-CD2 4.04Å; F48-L88 HydrophobicContact CZ-CD2 3.73Å; F48-L88 HydrophobicContact CZ-CG 4.16Å
49F98.5Very high97.8Very high22 Ų2245.8 Ų45.810%0.09624%0.239CC..EExtended strand (participates in β ladder)trans-120.5137.2179.5-61.5-97.9000111.6M1 K2 I4 L11 A14 V47 I53 P54M1-F49 CarbonylContact C-O 3.55Å; M1-F49 WeakPolarHBondContact CA-O 3.29Å; M1-F49 WeakPolarHBondContact CG-O 3.36Å; K2-F49 HydrophobicContact CB-CB 4.3Å; K2-F49 PolarHBondContact N-O 3.46Å; K2-F49 PolarHBondContact O-N 2.93Å; I4-F49 HydrophobicContact CB-CE2 4.32Å; I4-F49 HydrophobicContact CD1-CD2 4.07Å; I4-F49 HydrophobicContact CD1-CE2 3.65Å; I4-F49 HydrophobicContact CD1-CZ 4.41Å; I4-F49 HydrophobicContact CG1-CD2 4.22Å; I4-F49 HydrophobicContact CG1-CE2 3.98Å; L11-F49 HydrophobicContact CD1-CE2 3.96Å; L11-F49 HydrophobicContact CD1-CZ 4.06Å; A14-F49 HydrophobicContact CB-CE1 3.75Å; A14-F49 HydrophobicContact CB-CZ 3.64Å; V47-F49 HydrophobicContact CB-CD2 4.42Å; V47-F49 HydrophobicContact CB-CE2 3.65Å; V47-F49 HydrophobicContact CB-CZ 3.96Å; V47-F49 HydrophobicContact CG1-CD2 4.11Å; V47-F49 HydrophobicContact CG1-CE1 4.13Å; V47-F49 HydrophobicContact CG1-CE2 3.55Å; V47-F49 HydrophobicContact CG1-CZ 3.56Å; F49-I53 CarbonylContact C-O 3.5Å; F49-I53 VanDerWaalsContact CA-O 3.22Å; F49-I53 WeakPolarHBondContact CA-O 3.49Å; F49-P54 HydrophobicContact CD1-CB 4.16Å; F49-P54 HydrophobicContact CE1-CB 3.93Å
50D97.4Very high97.9Very high65 Ų6544.9 Ų44.935%0.34823%0.233SC..EExtended strand (participates in β ladder)trans-96.4111.2156.5-167.314.6000108.2Q52 I53 I55 Y79D50-Q52 PolarHBondContact O-N 2.75Å; D50-I53 PolarHBondContact N-O 3.24Å; D50-I53 PolarHBondContact O-N 3.39Å; D50-I55 HydrophobicContact CB-CD1 4.25Å; D50-I55 HydrophobicContact CB-CG2 3.79Å; D50-Y79 HydrophobicContact CB-CE1 3.93Å; D50-Y79 WeakPolarHBondContact CB-OH 3.38Å; D50-Y79 WeakPolarHBondContact OD2-CE1 3.16Å; D50-Y79 PolarHBondContact OD2-OH 3.08Å
51E95.1Very high97.8Very high174 Ų17442.6 Ų42.681%0.81322%0.219SC*.THydrogen-bonded Turntrans49.6-103.9-165-56.5-17415800112.4
52Q94.5Very high97.9Very high179 Ų17942.5 Ų42.584%0.83620%0.204SC*.THydrogen-bonded Turntrans-106-5.4178.7-66.1-175.590.700113.5D50D50-Q52 PolarHBondContact O-N 2.75Å
53I96.8Very high97.9Very high88 Ų8841 Ų4145%0.45120%0.195SC..EExtended strand (participates in β ladder)trans-89.9123.1-175.3-57.4175000108.7F49 D50 I55F49-I53 CarbonylContact C-O 3.5Å; F49-I53 VanDerWaalsContact CA-O 3.22Å; F49-I53 WeakPolarHBondContact CA-O 3.49Å; D50-I53 PolarHBondContact N-O 3.24Å; D50-I53 PolarHBondContact O-N 3.39Å; I53-I55 HydrophobicContact CG2-CG2 4.3Å; I53-I55 PolarHBondContact O-N 3.19Å
54P98.4Very high97.8Very high11 Ų1142.1 Ų42.17%0.07121%0.205CC..EExtended strand (participates in β ladder)trans-69.8125.6170.828.8-33.2000110.2A14 F17 V47 F49A14-P54 HydrophobicContact CB-CB 4.07Å; A14-P54 HydrophobicContact CB-CG 4.23Å; F17-P54 HydrophobicContact CD1-CG 3.68Å; F17-P54 HydrophobicContact CE1-CG 4.27Å; V47-P54 HydrophobicContact CG1-CB 3.71Å; F49-P54 HydrophobicContact CD1-CB 4.16Å; F49-P54 HydrophobicContact CE1-CB 3.93Å
55I98.6Very high97.7Very high1 Ų147.3 Ų47.31%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-117.2-19.3-172.559.7164.5000113.7M1 F48 D50 I53 V75 H76 Y79 L84M1-I55 HydrophobicContact CE-CD1 4.09Å; M1-I55 HydrophobicContact CG-CD1 4.29Å; M1-I55 HydrophobicContact SD-CD1 4.36Å; F48-I55 HydrophobicContact CB-CD1 4.47Å; F48-I55 HydrophobicContact CB-CG1 4.02Å; F48-I55 VanDerWaalsContact O-CG1 3.26Å; F48-I55 WeakPolarHBondContact O-CG1 3.32Å; F48-I55 PolarHBondContact O-N 2.99Å; D50-I55 HydrophobicContact CB-CD1 4.25Å; D50-I55 HydrophobicContact CB-CG2 3.79Å; I53-I55 HydrophobicContact CG2-CG2 4.3Å; I53-I55 PolarHBondContact O-N 3.19Å; I55-V75 WeakPolarHBondContact O-CA 3.11Å; I55-H76 WeakPolarHBondContact O-CB 3.29Å; I55-H76 PolarHBondContact O-N 3.11Å; I55-Y79 HydrophobicContact CB-CD1 4.1Å; I55-Y79 HydrophobicContact CB-CD2 3.92Å; I55-Y79 HydrophobicContact CB-CE1 4.38Å; I55-Y79 HydrophobicContact CB-CE2 4.23Å; I55-Y79 HydrophobicContact CB-CG 3.85Å; I55-Y79 HydrophobicContact CD1-CD1 3.77Å; I55-Y79 HydrophobicContact CD1-CE1 4.06Å; I55-Y79 HydrophobicContact CD1-CG 4.31Å; I55-Y79 HydrophobicContact CG2-CD1 4Å; I55-Y79 HydrophobicContact CG2-CD2 3.63Å; I55-Y79 HydrophobicContact CG2-CE1 3.79Å; I55-Y79 HydrophobicContact CG2-CE2 3.41Å; I55-Y79 VanDerWaalsContact CG2-CE2 3.41Å; I55-Y79 HydrophobicContact CG2-CG 3.92Å; I55-Y79 VanDerWaalsContact CG2-CZ 3.49Å; I55-L84 HydrophobicContact CD1-CD1 3.9Å; I55-L84 HydrophobicContact CG1-CD1 4.43Å
56A98.8Very high97.7Very high0 Ų049.5 Ų49.50%025%0.245CC..EExtended strand (participates in β ladder)trans-154.3142.5174.400000109.7L18 V47 F48 C74 V75 L84 L88L18-A56 VanDerWaalsContact CD2-CA 3.48Å; V47-A56 CarbonylContact C-O 3.6Å; V47-A56 WeakPolarHBondContact CA-O 3.45Å; F48-A56 HydrophobicContact CB-CB 4.16Å; F48-A56 HydrophobicContact CD2-CB 4.08Å; F48-A56 HydrophobicContact CG-CB 4.41Å; F48-A56 PolarHBondContact N-O 3.1Å; F48-A56 PolarHBondContact O-N 2.93Å; A56-C74 CarbonylContact C-O 3.54Å; A56-C74 VanDerWaalsContact CA-O 3.3Å; A56-C74 WeakPolarHBondContact CA-O 3.37Å; A56-V75 HydrophobicContact CB-CG1 4.48Å; A56-V75 HydrophobicContact CB-CG2 4.02Å; A56-L84 HydrophobicContact CB-CB 4.21Å; A56-L84 HydrophobicContact CB-CD1 4.37Å; A56-L88 HydrophobicContact CB-CD1 3.68Å; A56-L88 HydrophobicContact CB-CD2 4.42Å; A56-L88 HydrophobicContact CB-CG 4.18Å
57T98.8Very high97.7Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-143.7157.9176.7-170.30000112.2A15 L18 R19 L46 L73 C74 L88A15-T57 HydrophobicContact CB-CG2 4.45Å; A15-T57 WeakPolarHBondContact CB-OG1 3.46Å; L18-T57 HydrophobicContact CB-CG2 4.34Å; L18-T57 HydrophobicContact CD2-CG2 3.99Å; L18-T57 HydrophobicContact CG-CG2 4.41Å; R19-T57 HydrophobicContact CG-CG2 4.2Å; L46-T57 CarbonylContact O-C 3.53Å; L46-T57 VanDerWaalsContact O-CA 3.23Å; L46-T57 WeakPolarHBondContact O-CA 3.38Å; L46-T57 PolarHBondContact O-OG1 2.93Å; T57-L73 WeakPolarHBondContact O-CA 3.45Å; T57-C74 VanDerWaalsContact CG2-SG 3.58Å; T57-C74 PolarHBondContact N-O 3Å; T57-C74 PolarHBondContact O-N 3.23Å; T57-L88 WeakPolarHBondContact O-CD1 3.23Å
58V98.7Very high97.7Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-145.9140.3165.360.20000109.5Y45 L46 P70 D71 L73 L88 I92Y45-V58 WeakPolarHBondContact CA-O 3.43Å; L46-V58 HydrophobicContact CB-CG1 3.9Å; L46-V58 HydrophobicContact CD2-CG1 4.46Å; L46-V58 PolarHBondContact N-O 3.13Å; L46-V58 VanDerWaalsContact N-O 3.09Å; L46-V58 PolarHBondContact O-N 3.26Å; L46-V58 VanDerWaalsContact O-N 3.08Å; V58-P70 HydrophobicContact CG2-CB 4.09Å; V58-D71 WeakPolarHBondContact CG2-O 3.35Å; V58-L73 HydrophobicContact CB-CB 4.21Å; V58-L73 HydrophobicContact CB-CD1 4.32Å; V58-L73 HydrophobicContact CB-CG 4.29Å; V58-L73 HydrophobicContact CG2-CB 3.98Å; V58-L73 HydrophobicContact CG2-CD1 4.24Å; V58-L73 HydrophobicContact CG2-CG 4.43Å; V58-L88 HydrophobicContact CB-CD1 4.49Å; V58-L88 HydrophobicContact CG1-CB 4.15Å; V58-L88 HydrophobicContact CG1-CD2 4.22Å; V58-I92 HydrophobicContact CB-CD1 4.49Å; V58-I92 HydrophobicContact CG1-CD1 3.89Å; V58-I92 HydrophobicContact CG1-CG1 4.49Å; V58-I92 HydrophobicContact CG1-CG2 3.88Å; V58-I92 HydrophobicContact CG2-CD1 3.75Å
59R98.7Very high97.7Very high0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-78.3125.4170.1-172.4161.268.9179.72.7109D36 D39 R43 Y45 D71 R72D36-R59 IonicContact OD1-CZ 3.52Å; D36-R59 IonicContact OD1-NH1 2.86Å; D36-R59 PolarHBondContact OD1-NH1 3.12Å; D36-R59 IonicContact OD1-NH2 3.05Å; D36-R59 IonicContact OD2-CZ 3.2Å; D36-R59 IonicContact OD2-NH1 3Å; D36-R59 PolarHBondContact OD2-NH1 3.45Å; D36-R59 IonicContact OD2-NH2 2.67Å; D36-R59 PolarHBondContact OD2-NH2 3.28Å; D39-R59 IonicContact OD1-CZ 2.85Å; D39-R59 IonicContact OD1-NH1 2.68Å; D39-R59 PolarHBondContact OD1-NH1 2.99Å; D39-R59 IonicContact OD2-NH1 3.21Å; R43-R59 HydrophobicContact CG-CG 3.86Å; Y45-R59 HydrophobicContact CD1-CB 4.08Å; Y45-R59 HydrophobicContact CD1-CG 4.41Å; Y45-R59 HydrophobicContact CE1-CB 3.58Å; Y45-R59 HydrophobicContact CE1-CG 3.69Å; Y45-R59 VanDerWaalsContact OH-CD 3.29Å; Y45-R59 WeakPolarHBondContact OH-CD 3.45Å; R59-D71 WeakPolarHBondContact CA-O 3.38Å; R59-D71 HydrophobicContact CB-CB 4.36Å; R59-D71 VanDerWaalsContact CB-O 3.25Å; R59-D71 WeakPolarHBondContact CB-O 3.49Å; R59-D71 IonicContact CZ-OD2 2.89Å; R59-D71 PolarHBondContact N-O 3.41Å; R59-D71 IonicContact NE-OD2 2.81Å; R59-D71 IonicContact NH2-OD2 3.67Å; R59-D71 PolarHBondContact NH2-OD2 2.9Å; R59-D71 PolarHBondContact O-N 3.04Å; R59-R72 HydrophobicContact CB-CB 4.39Å
60Y98.5Very high97.6Very high8 Ų850.2 Ų50.23%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-94.7118.9177.7-175.1-98.3000110.4F5 R43 Q44 L68 I92 Q95 A96 E99F5-Y60 HydrophobicContact CE2-CD1 4.14Å; F5-Y60 HydrophobicContact CE2-CD2 4.11Å; F5-Y60 AromaticContact CE2-CG 3.73Å; F5-Y60 HydrophobicContact CE2-CG 3.73Å; F5-Y60 AromaticContact CZ-CD1 3.74Å; F5-Y60 HydrophobicContact CZ-CD1 3.74Å; F5-Y60 HydrophobicContact CZ-CD2 4.29Å; F5-Y60 HydrophobicContact CZ-CE1 4.12Å; F5-Y60 AromaticContact CZ-CG 3.82Å; F5-Y60 HydrophobicContact CZ-CG 3.82Å; R43-Y60 WeakPolarHBondContact CD-O 3.49Å; R43-Y60 PolarHBondContact NH1-O 2.88Å; Q44-Y60 HydrophobicContact CB-CD1 4.24Å; Q44-Y60 PolarHBondContact O-N 3.42Å; Y60-L68 HydrophobicContact CD2-CD1 3.78Å; Y60-L68 HydrophobicContact CE2-CD1 3.42Å; Y60-L68 VanDerWaalsContact CE2-CD1 3.42Å; Y60-I92 HydrophobicContact CD2-CB 3.8Å; Y60-I92 HydrophobicContact CD2-CG2 4.01Å; Y60-I92 HydrophobicContact CE2-CB 4.1Å; Y60-Q95 HydrophobicContact CE2-CB 4.37Å; Y60-Q95 HydrophobicContact CE2-CG 4.26Å; Y60-A96 HydrophobicContact CE2-CB 4.17Å; Y60-A96 VanDerWaalsContact OH-CA 3.23Å; Y60-A96 WeakPolarHBondContact OH-CA 3.44Å; Y60-A96 WeakPolarHBondContact OH-CB 3.26Å; Y60-A96 PolarHBondContact OH-N 2.71Å; Y60-E99 VanDerWaalsContact OH-CD 3.27Å; Y60-E99 PolarHBondContact OH-OE2 3.29Å
61Q96.9Very high97.6Very high14 Ų1448.5 Ų48.57%0.06524%0.241CC..  trans-151159.5179.161.9-166.349.900110.7L68 N69 D71Q61-L68 WeakPolarHBondContact O-CD1 3.29Å; Q61-N69 HydrophobicContact CG-CB 4.25Å; Q61-N69 WeakPolarHBondContact CG-O 3.32Å; Q61-N69 PolarHBondContact NE2-OD1 2.81Å; Q61-N69 PolarHBondContact O-N 2.86Å; Q61-D71 HydrophobicContact CG-CB 4.5Å; Q61-D71 PolarHBondContact NE2-OD2 3.25Å
62K97.6Very high97.7Very high72 Ų7241.3 Ų41.331%0.31321%0.207SC..EExtended strand (participates in β ladder)trans-123.4143.4175.3-60.3-177.6-177.8-179.10109.3D64 T67 E99 C101K62-D64 WeakPolarHBondContact CB-O 3.44Å; K62-T67 CarbonylContact C-O 3.6Å; K62-T67 WeakPolarHBondContact CA-O 3.46Å; K62-T67 WeakPolarHBondContact CB-O 3.42Å; K62-E99 WeakPolarHBondContact CE-OE2 3.33Å; K62-E99 IonicContact NZ-OE2 2.9Å; K62-E99 PolarHBondContact NZ-OE2 2.82Å; K62-C101 WeakPolarHBondContact CE-SG 3.34Å
63L96.4Very high97.9Very high107 Ų10734.2 Ų34.256%0.5618%0.175SC*.EExtended strand (participates in β ladder)trans-78-33.4171.6-66.8171000111.1T67 N69 V105L63-T67 HydrophobicContact CB-CG2 4.31Å; L63-T67 HydrophobicContact CD1-CG2 4.01Å; L63-T67 PolarHBondContact N-O 2.94Å; L63-N69 HydrophobicContact CD1-CB 4.08Å; L63-N69 HydrophobicContact CD2-CB 4.13Å; L63-N69 HydrophobicContact CG-CB 3.62Å; L63-V105 HydrophobicContact CD1-CB 4.24Å; L63-V105 HydrophobicContact CD1-CG1 4.4Å
64D97.6Very high97.9Very high74 Ų7430.4 Ų30.440%0.39616%0.155SC..EExtended strand (participates in β ladder)trans-156.1-178.3178.459.562.7000109.5K62 S66 T67K62-D64 WeakPolarHBondContact CB-O 3.44Å; D64-S66 PolarHBondContact O-N 3.12Å; D64-S66 VanDerWaalsContact O-N 3.07Å; D64-S66 VanDerWaalsContact OD1-CA 3.29Å; D64-S66 WeakPolarHBondContact OD1-CA 3.48Å; D64-S66 WeakPolarHBondContact OD1-CB 3.29Å; D64-S66 PolarHBondContact OD1-N 3.4Å; D64-S66 PolarHBondContact OD1-OG 2.88Å; D64-T67 PolarHBondContact O-N 3.36Å; D64-T67 WeakPolarHBondContact OD1-CB 3.25Å; D64-T67 PolarHBondContact OD1-N 2.68Å; D64-T67 PolarHBondContact OD1-OG1 2.85Å; D64-T67 VanDerWaalsContact OD1-OG1 3.08Å; D64-T67 WeakPolarHBondContact OD2-CB 3.38Å; D64-T67 PolarHBondContact OD2-OG1 2.94Å
65E96.4Very high97.9Very high178 Ų17830.8 Ų30.883%0.83216%0.157SC*.THydrogen-bonded Turntrans-53.9-28.7179.7-65.2-94.514300113.6
66S97.9Very high97.9Very high46 Ų4632.1 Ų32.132%0.32216%0.164SC..THydrogen-bonded Turntrans-110.5-5-170.367.90000115D64 C101 Q102 T103D64-S66 PolarHBondContact O-N 3.12Å; D64-S66 VanDerWaalsContact O-N 3.07Å; D64-S66 VanDerWaalsContact OD1-CA 3.29Å; D64-S66 WeakPolarHBondContact OD1-CA 3.48Å; D64-S66 WeakPolarHBondContact OD1-CB 3.29Å; D64-S66 PolarHBondContact OD1-N 3.4Å; D64-S66 PolarHBondContact OD1-OG 2.88Å; S66-C101 CarbonylContact O-C 3.59Å; S66-C101 VanDerWaalsContact O-CA 3.28Å; S66-C101 WeakPolarHBondContact O-CA 3.38Å; S66-C101 WeakPolarHBondContact O-CB 3.47Å; S66-Q102 PolarHBondContact O-N 3.12Å; S66-T103 PolarHBondContact O-N 3.1Å
67T98.5Very high97.8Very high14 Ų1434.6 Ų34.69%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-126.9109.3-170.8-52.10000112K62 L63 D64 T103 V105K62-T67 CarbonylContact C-O 3.6Å; K62-T67 WeakPolarHBondContact CA-O 3.46Å; K62-T67 WeakPolarHBondContact CB-O 3.42Å; L63-T67 HydrophobicContact CB-CG2 4.31Å; L63-T67 HydrophobicContact CD1-CG2 4.01Å; L63-T67 PolarHBondContact N-O 2.94Å; D64-T67 PolarHBondContact O-N 3.36Å; D64-T67 WeakPolarHBondContact OD1-CB 3.25Å; D64-T67 PolarHBondContact OD1-N 2.68Å; D64-T67 PolarHBondContact OD1-OG1 2.85Å; D64-T67 VanDerWaalsContact OD1-OG1 3.08Å; D64-T67 WeakPolarHBondContact OD2-CB 3.38Å; D64-T67 PolarHBondContact OD2-OG1 2.94Å; T67-T103 WeakPolarHBondContact CA-O 3.37Å; T67-V105 HydrophobicContact CG2-CB 4.1Å; T67-V105 HydrophobicContact CG2-CG2 3.79Å
68L98.6Very high97.7Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-67.4142.5167.2178.663.2000109.5Y60 Q61 P70 I92 E93 A96 T103 S104 V105 L142Y60-L68 HydrophobicContact CD2-CD1 3.78Å; Y60-L68 HydrophobicContact CE2-CD1 3.42Å; Y60-L68 VanDerWaalsContact CE2-CD1 3.42Å; Q61-L68 WeakPolarHBondContact O-CD1 3.29Å; L68-P70 HydrophobicContact CD2-CG 3.87Å; L68-P70 HydrophobicContact CG-CG 3.86Å; L68-I92 HydrophobicContact CD2-CD1 4.43Å; L68-I92 HydrophobicContact CD2-CG1 4.36Å; L68-E93 HydrophobicContact CD2-CG 4.01Å; L68-A96 HydrophobicContact CB-CB 3.8Å; L68-A96 HydrophobicContact CD1-CB 3.83Å; L68-A96 HydrophobicContact CD2-CB 3.77Å; L68-A96 HydrophobicContact CG-CB 3.97Å; L68-T103 PolarHBondContact N-O 3.44Å; L68-S104 CarbonylContact O-C 3.58Å; L68-S104 VanDerWaalsContact O-CA 3.31Å; L68-S104 WeakPolarHBondContact O-CA 3.49Å; L68-V105 PolarHBondContact O-N 3.44Å; L68-L142 HydrophobicContact CB-CD1 4.38Å
69N98.4Very high97.6Very high20 Ų2042.8 Ų42.811%0.10722%0.221CC..  trans-134.981.3172.8170.2-125.1000111Q61 L63 D71 V105Q61-N69 HydrophobicContact CG-CB 4.25Å; Q61-N69 WeakPolarHBondContact CG-O 3.32Å; Q61-N69 PolarHBondContact NE2-OD1 2.81Å; Q61-N69 PolarHBondContact O-N 2.86Å; L63-N69 HydrophobicContact CD1-CB 4.08Å; L63-N69 HydrophobicContact CD2-CB 4.13Å; L63-N69 HydrophobicContact CG-CB 3.62Å; N69-D71 PolarHBondContact O-N 3.21Å; N69-V105 WeakPolarHBondContact CA-O 3.49Å; N69-V105 WeakPolarHBondContact CB-O 3.31Å; N69-V105 PolarHBondContact ND2-O 3.4Å
70P98.2Very high97.5Very high4 Ų446.9 Ų46.93%0.02624%0.236CC..  trans-59.8135.5176.9-2136.5000110.3V58 L68 L89 I92 S104 L106V58-P70 HydrophobicContact CG2-CB 4.09Å; L68-P70 HydrophobicContact CD2-CG 3.87Å; L68-P70 HydrophobicContact CG-CG 3.86Å; P70-L89 HydrophobicContact CB-CD2 3.81Å; P70-L89 HydrophobicContact CG-CD2 3.88Å; P70-I92 HydrophobicContact CB-CD1 3.65Å; P70-I92 HydrophobicContact CG-CD1 3.75Å; P70-S104 VanDerWaalsContact CD-OG 3.26Å; P70-S104 WeakPolarHBondContact CD-OG 3.34Å; P70-L106 HydrophobicContact CG-CD2 4.43Å
71D96.6Very high97.3Very high29 Ų2954.8 Ų54.816%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-141.5158.2-178.2-164.92.3000111.1V58 R59 Q61 N69 L73V58-D71 WeakPolarHBondContact CG2-O 3.35Å; R59-D71 WeakPolarHBondContact CA-O 3.38Å; R59-D71 HydrophobicContact CB-CB 4.36Å; R59-D71 VanDerWaalsContact CB-O 3.25Å; R59-D71 WeakPolarHBondContact CB-O 3.49Å; R59-D71 IonicContact CZ-OD2 2.89Å; R59-D71 PolarHBondContact N-O 3.41Å; R59-D71 IonicContact NE-OD2 2.81Å; R59-D71 IonicContact NH2-OD2 3.67Å; R59-D71 PolarHBondContact NH2-OD2 2.9Å; R59-D71 PolarHBondContact O-N 3.04Å; Q61-D71 HydrophobicContact CG-CB 4.5Å; Q61-D71 PolarHBondContact NE2-OD2 3.25Å; N69-D71 PolarHBondContact O-N 3.21Å; D71-L73 PolarHBondContact O-N 2.76Å; D71-L73 VanDerWaalsContact O-N 3.12Å
72R97.2Very high97.2Very high23 Ų2359.7 Ų59.79%0.08730%0.301CS..EExtended strand (participates in β ladder)trans49.439.8179.4-57.1-60.3-169-10317.5113.1R19 F23 L33 E34 R59 C74 D131R19-R72 HydrophobicContact CG-CB 4.36Å; F23-R72 HydrophobicContact CE2-CB 3.98Å; L33-R72 PolarHBondContact O-NH2 3.2Å; E34-R72 WeakPolarHBondContact OE1-CD 3.36Å; E34-R72 IonicContact OE1-NE 3.33Å; E34-R72 WeakPolarHBondContact OE2-CD 3.31Å; E34-R72 IonicContact OE2-CZ 3.78Å; E34-R72 IonicContact OE2-NE 3.67Å; E34-R72 PolarHBondContact OE2-NE 2.73Å; R59-R72 HydrophobicContact CB-CB 4.39Å; R72-C74 PolarHBondContact O-N 3.05Å; R72-D131 IonicContact CZ-OD2 3.53Å; R72-D131 IonicContact NH2-OD2 3.9Å; R72-D131 PolarHBondContact NH2-OD2 2.67Å
73L98.2Very high97.2Very high30 Ų3058 Ų5816%0.15730%0.304CS..EExtended strand (participates in β ladder)trans-72.8120.2175.6-175.9151.3000109.6T57 V58 D71 L88 L89T57-L73 WeakPolarHBondContact O-CA 3.45Å; V58-L73 HydrophobicContact CB-CB 4.21Å; V58-L73 HydrophobicContact CB-CD1 4.32Å; V58-L73 HydrophobicContact CB-CG 4.29Å; V58-L73 HydrophobicContact CG2-CB 3.98Å; V58-L73 HydrophobicContact CG2-CD1 4.24Å; V58-L73 HydrophobicContact CG2-CG 4.43Å; D71-L73 PolarHBondContact O-N 2.76Å; D71-L73 VanDerWaalsContact O-N 3.12Å; L73-L88 HydrophobicContact CD1-CB 4.25Å; L73-L88 HydrophobicContact CD1-CD1 4.42Å; L73-L88 HydrophobicContact CG-CD1 4.16Å; L73-L89 HydrophobicContact CD1-CD1 3.85Å; L73-L89 HydrophobicContact CD1-CD2 3.8Å; L73-L89 HydrophobicContact CD1-CG 3.46Å; L73-L89 VanDerWaalsContact CD1-CG 3.46Å
74C98Very high97.3Very high7 Ų753.1 Ų53.15%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-146.3157175.363.30000112.9V22 F23 A56 T57 R72V22-C74 HydrophobicContact CB-CB 4.07Å; V22-C74 HydrophobicContact CG1-CB 3.88Å; V22-C74 HydrophobicContact CG2-CB 4.18Å; F23-C74 HydrophobicContact CE2-CB 3.86Å; F23-C74 HydrophobicContact CZ-CB 3.75Å; A56-C74 CarbonylContact C-O 3.54Å; A56-C74 VanDerWaalsContact CA-O 3.3Å; A56-C74 WeakPolarHBondContact CA-O 3.37Å; T57-C74 VanDerWaalsContact CG2-SG 3.58Å; T57-C74 PolarHBondContact N-O 3Å; T57-C74 PolarHBondContact O-N 3.23Å; R72-C74 PolarHBondContact O-N 3.05Å
75V98.3Very high97.3Very high19 Ų1949.9 Ų49.912%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-127.6132177-178.80000107.7I55 A56 Y79 R80 L84I55-V75 WeakPolarHBondContact O-CA 3.11Å; A56-V75 HydrophobicContact CB-CG1 4.48Å; A56-V75 HydrophobicContact CB-CG2 4.02Å; V75-Y79 WeakPolarHBondContact CG1-O 3.46Å; V75-R80 HydrophobicContact CB-CG 4.25Å; V75-R80 HydrophobicContact CG1-CG 4.18Å; V75-R80 PolarHBondContact O-NE 3.38Å; V75-L84 HydrophobicContact CG1-CB 4.16Å; V75-L84 HydrophobicContact CG1-CD1 3.88Å; V75-L84 HydrophobicContact CG2-CB 4.03Å
76H98Very high97.3Very high29 Ų2948.1 Ų48.113%0.13425%0.249CC..  trans-51.1136.1176-173.4-82.2000109.9L18 I55 D78 Y79 R80L18-H76 HydrophobicContact CD1-CB 3.72Å; I55-H76 WeakPolarHBondContact O-CB 3.29Å; I55-H76 PolarHBondContact O-N 3.11Å; H76-D78 VanDerWaalsContact C-N 3.25Å; H76-D78 IonicContact CE1-OD2 3.55Å; H76-D78 PolarHBondContact CE1-OD2 3.19Å; H76-D78 VanDerWaalsContact CE1-OD2 3.29Å; H76-D78 PolarHBondContact ND1-N 3.39Å; H76-D78 IonicContact ND1-OD2 2.71Å; H76-D78 PolarHBondContact O-N 3.46Å; H76-D78 VanDerWaalsContact O-N 3.1Å; H76-Y79 HydrophobicContact CB-CD2 3.93Å; H76-Y79 AromaticContact ND1-CD2 3.77Å; H76-Y79 PolarHBondContact O-N 3.34Å; H76-R80 PolarHBondContact O-N 3.07Å
77P95.8Very high97.3Very high52 Ų5251.1 Ų51.134%0.33826%0.256SS..G310 helixtrans-45.6-46.9-174.9-31.535.1000114.4E26 Y79 R80E26-P77 WeakPolarHBondContact OE2-CG 3.23Å; P77-Y79 PolarHBondContact O-N 3.18Å; P77-R80 WeakPolarHBondContact O-CG 3.41Å; P77-R80 PolarHBondContact O-N 2.95Å
78D97Very high97.3Very high127 Ų12750.5 Ų50.568%0.67925%0.252SS*.G310 helixtrans-68.9-13.7-178.1-58.7-23.3000114.6H76H76-D78 VanDerWaalsContact C-N 3.25Å; H76-D78 IonicContact CE1-OD2 3.55Å; H76-D78 PolarHBondContact CE1-OD2 3.19Å; H76-D78 VanDerWaalsContact CE1-OD2 3.29Å; H76-D78 PolarHBondContact ND1-N 3.39Å; H76-D78 IonicContact ND1-OD2 2.71Å; H76-D78 PolarHBondContact O-N 3.46Å; H76-D78 VanDerWaalsContact O-N 3.1Å
79Y97.4Very high97.2Very high46 Ų4650.5 Ų50.518%0.1825%0.253CS..G310 helixtrans-110.75.5-177.7-65.7-96.1000113D50 I55 V75 H76 P77D50-Y79 HydrophobicContact CB-CE1 3.93Å; D50-Y79 WeakPolarHBondContact CB-OH 3.38Å; D50-Y79 WeakPolarHBondContact OD2-CE1 3.16Å; D50-Y79 PolarHBondContact OD2-OH 3.08Å; I55-Y79 HydrophobicContact CB-CD1 4.1Å; I55-Y79 HydrophobicContact CB-CD2 3.92Å; I55-Y79 HydrophobicContact CB-CE1 4.38Å; I55-Y79 HydrophobicContact CB-CE2 4.23Å; I55-Y79 HydrophobicContact CB-CG 3.85Å; I55-Y79 HydrophobicContact CD1-CD1 3.77Å; I55-Y79 HydrophobicContact CD1-CE1 4.06Å; I55-Y79 HydrophobicContact CD1-CG 4.31Å; I55-Y79 HydrophobicContact CG2-CD1 4Å; I55-Y79 HydrophobicContact CG2-CD2 3.63Å; I55-Y79 HydrophobicContact CG2-CE1 3.79Å; I55-Y79 HydrophobicContact CG2-CE2 3.41Å; I55-Y79 VanDerWaalsContact CG2-CE2 3.41Å; I55-Y79 HydrophobicContact CG2-CG 3.92Å; I55-Y79 VanDerWaalsContact CG2-CZ 3.49Å; V75-Y79 WeakPolarHBondContact CG1-O 3.46Å; H76-Y79 HydrophobicContact CB-CD2 3.93Å; H76-Y79 AromaticContact ND1-CD2 3.77Å; H76-Y79 PolarHBondContact O-N 3.34Å; P77-Y79 PolarHBondContact O-N 3.18Å
80R96.2Very high97.2Very high86 Ų8651.6 Ų51.633%0.32526%0.264SS..THydrogen-bonded Turntrans-67.1160.8177.5-68.1177.5-175.21592.9111.9E26 V75 H76 P77 Q82E26-R80 IonicContact OE1-CZ 3.29Å; E26-R80 VanDerWaalsContact OE1-CZ 3.27Å; E26-R80 IonicContact OE1-NH1 3.27Å; E26-R80 PolarHBondContact OE1-NH1 3.34Å; E26-R80 IonicContact OE1-NH2 2.68Å; E26-R80 PolarHBondContact OE1-NH2 3.07Å; E26-R80 IonicContact OE2-CZ 3.78Å; E26-R80 IonicContact OE2-NH1 3.57Å; E26-R80 IonicContact OE2-NH2 3.62Å; E26-R80 PolarHBondContact OE2-NH2 3.37Å; V75-R80 HydrophobicContact CB-CG 4.25Å; V75-R80 HydrophobicContact CG1-CG 4.18Å; V75-R80 PolarHBondContact O-NE 3.38Å; H76-R80 PolarHBondContact O-N 3.07Å; P77-R80 WeakPolarHBondContact O-CG 3.41Å; P77-R80 PolarHBondContact O-N 2.95Å; R80-Q82 PolarHBondContact O-N 2.93Å
81N94.4Very high97.1Very high174 Ų17455.6 Ų55.693%0.9328%0.279SS*.THydrogen-bonded Turntrans6413.9179.3-54.2-54.5000115.9
82Q95.6Very high97.2Very high116 Ų11654.2 Ų54.254%0.54227%0.271SS..SBendtrans-103.912.5176.9-57.1-177.837.900113.3R80 L84R80-Q82 PolarHBondContact O-N 2.93Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 HydrophobicContact CB-CG 4.45Å; Q82-L84 PolarHBondContact O-N 3.13Å
83G96.4Very high97.2Very high36 Ų3654 Ų5437%0.37127%0.271SS..SBendtrans76.69.8-179.500000115.3G85 R86 K87G83-G85 PolarHBondContact O-N 2.72Å; G83-R86 WeakPolarHBondContact O-CB 3.28Å; G83-R86 PolarHBondContact O-N 3.28Å; G83-K87 PolarHBondContact O-N 3.09Å; G83-K87 VanDerWaalsContact O-N 3.08Å
84L97.9Very high97.2Very high5 Ų554 Ų543%0.02627%0.274CS..Hα-helixtrans-61.2-44.2-178.7-64.2-174.8000113.4M1 F48 I55 A56 V75 Q82 R86 K87 L88M1-L84 HydrophobicContact CE-CD2 3.48Å; M1-L84 VanDerWaalsContact CE-CD2 3.48Å; M1-L84 HydrophobicContact SD-CD2 3.91Å; F48-L84 HydrophobicContact CD2-CD2 4.27Å; I55-L84 HydrophobicContact CD1-CD1 3.9Å; I55-L84 HydrophobicContact CG1-CD1 4.43Å; A56-L84 HydrophobicContact CB-CB 4.21Å; A56-L84 HydrophobicContact CB-CD1 4.37Å; V75-L84 HydrophobicContact CG1-CB 4.16Å; V75-L84 HydrophobicContact CG1-CD1 3.88Å; V75-L84 HydrophobicContact CG2-CB 4.03Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 HydrophobicContact CB-CG 4.45Å; Q82-L84 PolarHBondContact O-N 3.13Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 3.09Å; L84-K87 WeakPolarHBondContact O-CB 3.45Å; L84-K87 PolarHBondContact O-N 3.44Å; L84-K87 VanDerWaalsContact O-N 3.08Å; L84-L88 PolarHBondContact O-N 3.5Å
85G97.5Very high97.1Very high7 Ų756 Ų567%0.07228%0.283CS..Hα-helixtrans-59.2-39.2176.600000112.6G83 L88 L89G83-G85 PolarHBondContact O-N 2.72Å; G85-L88 PolarHBondContact O-N 3.35Å; G85-L89 PolarHBondContact O-N 2.9Å; G85-L89 VanDerWaalsContact O-N 3.12Å
86R97.4Very high97.1Very high141 Ų14155.1 Ų55.153%0.53228%0.277SS..Hα-helixtrans-64.2-42.1175179.3-174.4-62.3167.2-1.5111.3G83 L84 L89 A90 F115 I119G83-R86 WeakPolarHBondContact O-CB 3.28Å; G83-R86 PolarHBondContact O-N 3.28Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 3.09Å; R86-L89 PolarHBondContact O-N 3.26Å; R86-A90 WeakPolarHBondContact O-CB 3.15Å; R86-A90 PolarHBondContact O-N 3.09Å; R86-F115 HydrophobicContact CB-CE2 4.35Å; R86-I119 HydrophobicContact CB-CG2 4.4Å; R86-I119 HydrophobicContact CG-CG2 3.92Å
87K97.7Very high97.1Very high109 Ų10957 Ų5747%0.47429%0.285SS..Hα-helixtrans-65.3-41.5178.3-73.4179.9178.2-176.60112.2F48 G83 L84 R91F48-K87 HydrophobicContact CE2-CB 3.71Å; F48-K87 HydrophobicContact CZ-CB 4.04Å; G83-K87 PolarHBondContact O-N 3.09Å; G83-K87 VanDerWaalsContact O-N 3.08Å; L84-K87 WeakPolarHBondContact O-CB 3.45Å; L84-K87 PolarHBondContact O-N 3.44Å; L84-K87 VanDerWaalsContact O-N 3.08Å; K87-R91 WeakPolarHBondContact O-CB 3.21Å; K87-R91 PolarHBondContact O-N 3.19Å
88L98.1Very high97.1Very high0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-55.9-54.4173.3-75.3175000110.6L46 F48 A56 T57 V58 L73 L84 G85 R91 I92L46-L88 HydrophobicContact CB-CD2 4.34Å; L46-L88 HydrophobicContact CD2-CB 4.49Å; L46-L88 HydrophobicContact CD2-CD2 3.61Å; L46-L88 HydrophobicContact CG-CD2 3.69Å; F48-L88 HydrophobicContact CD1-CD2 3.95Å; F48-L88 HydrophobicContact CD2-CD2 3.95Å; F48-L88 HydrophobicContact CD2-CG 4.19Å; F48-L88 HydrophobicContact CE1-CD2 3.81Å; F48-L88 HydrophobicContact CE2-CD2 3.78Å; F48-L88 HydrophobicContact CE2-CG 3.86Å; F48-L88 HydrophobicContact CG-CD2 4.04Å; F48-L88 HydrophobicContact CZ-CD2 3.73Å; F48-L88 HydrophobicContact CZ-CG 4.16Å; A56-L88 HydrophobicContact CB-CD1 3.68Å; A56-L88 HydrophobicContact CB-CD2 4.42Å; A56-L88 HydrophobicContact CB-CG 4.18Å; T57-L88 WeakPolarHBondContact O-CD1 3.23Å; V58-L88 HydrophobicContact CB-CD1 4.49Å; V58-L88 HydrophobicContact CG1-CB 4.15Å; V58-L88 HydrophobicContact CG1-CD2 4.22Å; L73-L88 HydrophobicContact CD1-CB 4.25Å; L73-L88 HydrophobicContact CD1-CD1 4.42Å; L73-L88 HydrophobicContact CG-CD1 4.16Å; L84-L88 PolarHBondContact O-N 3.5Å; G85-L88 PolarHBondContact O-N 3.35Å; L88-R91 PolarHBondContact O-N 3.45Å; L88-I92 WeakPolarHBondContact O-CG1 3.37Å; L88-I92 PolarHBondContact O-N 3.31Å; L88-I92 VanDerWaalsContact O-N 3.11Å
89L97.7Very high97.1Very high1 Ų159.7 Ų59.71%0.00529%0.287CS..Hα-helixtrans-60.1-50.3-179.1-76.6167.4000112P70 L73 G85 R86 R91 I92 E93 F115 Y116 I119P70-L89 HydrophobicContact CB-CD2 3.81Å; P70-L89 HydrophobicContact CG-CD2 3.88Å; L73-L89 HydrophobicContact CD1-CD1 3.85Å; L73-L89 HydrophobicContact CD1-CD2 3.8Å; L73-L89 HydrophobicContact CD1-CG 3.46Å; L73-L89 VanDerWaalsContact CD1-CG 3.46Å; G85-L89 PolarHBondContact O-N 2.9Å; G85-L89 VanDerWaalsContact O-N 3.12Å; R86-L89 PolarHBondContact O-N 3.26Å; L89-R91 PolarHBondContact O-N 3.46Å; L89-I92 HydrophobicContact CD2-CD1 4.25Å; L89-I92 VanDerWaalsContact O-CG1 3.32Å; L89-I92 WeakPolarHBondContact O-CG1 3.36Å; L89-I92 PolarHBondContact O-N 2.9Å; L89-E93 WeakPolarHBondContact O-CB 3.2Å; L89-E93 WeakPolarHBondContact O-CG 3.32Å; L89-E93 PolarHBondContact O-N 2.79Å; L89-F115 HydrophobicContact CD1-CE1 3.62Å; L89-F115 HydrophobicContact CD1-CZ 3.81Å; L89-Y116 HydrophobicContact CD1-CD1 4Å; L89-Y116 HydrophobicContact CD1-CE1 3.56Å; L89-I119 HydrophobicContact CB-CD1 4.42Å; L89-I119 HydrophobicContact CD1-CD1 3.2Å; L89-I119 HydrophobicContact CG-CD1 4.41Å
90A97Very high97.1Very high42 Ų4259.6 Ų59.635%0.34730%0.3SS..Hα-helixtrans-55.3-42.2178.600000112R86 S94R86-A90 WeakPolarHBondContact O-CB 3.15Å; R86-A90 PolarHBondContact O-N 3.09Å; A90-S94 VanDerWaalsContact O-CB 3.29Å; A90-S94 WeakPolarHBondContact O-CB 3.31Å; A90-S94 PolarHBondContact O-N 2.88Å
91R97.2Very high97.2Very high89 Ų8955.5 Ų55.534%0.33629%0.285SS..Hα-helixtrans-66.1-40.5-179.7177.459.2-175.686.9-2.1113.2L46 K87 L88 L89 Q95L46-R91 HydrophobicContact CD1-CG 4.28Å; L46-R91 HydrophobicContact CD2-CB 3.71Å; L46-R91 HydrophobicContact CD2-CG 3.58Å; K87-R91 WeakPolarHBondContact O-CB 3.21Å; K87-R91 PolarHBondContact O-N 3.19Å; L88-R91 PolarHBondContact O-N 3.45Å; L89-R91 PolarHBondContact O-N 3.46Å; R91-Q95 VanDerWaalsContact NH1-OE1 3.15Å; R91-Q95 PolarHBondContact O-N 3.19Å
92I97.7Very high97.4Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-81.8-30178.763.7164.2000113L46 V58 Y60 L68 P70 L88 L89 Q95 A96L46-I92 HydrophobicContact CB-CG2 4.02Å; L46-I92 HydrophobicContact CD2-CG2 3.81Å; V58-I92 HydrophobicContact CB-CD1 4.49Å; V58-I92 HydrophobicContact CG1-CD1 3.89Å; V58-I92 HydrophobicContact CG1-CG1 4.49Å; V58-I92 HydrophobicContact CG1-CG2 3.88Å; V58-I92 HydrophobicContact CG2-CD1 3.75Å; Y60-I92 HydrophobicContact CD2-CB 3.8Å; Y60-I92 HydrophobicContact CD2-CG2 4.01Å; Y60-I92 HydrophobicContact CE2-CB 4.1Å; L68-I92 HydrophobicContact CD2-CD1 4.43Å; L68-I92 HydrophobicContact CD2-CG1 4.36Å; P70-I92 HydrophobicContact CB-CD1 3.65Å; P70-I92 HydrophobicContact CG-CD1 3.75Å; L88-I92 WeakPolarHBondContact O-CG1 3.37Å; L88-I92 PolarHBondContact O-N 3.31Å; L88-I92 VanDerWaalsContact O-N 3.11Å; L89-I92 HydrophobicContact CD2-CD1 4.25Å; L89-I92 VanDerWaalsContact O-CG1 3.32Å; L89-I92 WeakPolarHBondContact O-CG1 3.36Å; L89-I92 PolarHBondContact O-N 2.9Å; I92-Q95 WeakPolarHBondContact O-CB 3.47Å; I92-Q95 PolarHBondContact O-N 3.19Å; I92-A96 WeakPolarHBondContact O-CB 3.27Å; I92-A96 PolarHBondContact O-N 2.63Å
93E98.1Very high97.5Very high18 Ų1849.7 Ų49.78%0.08425%0.254CS..Hα-helixtrans-63.1-46.5172.6-75.8174.6179.800110.2L68 L89 A96 F97 Y121 K140 L142L68-E93 HydrophobicContact CD2-CG 4.01Å; L89-E93 WeakPolarHBondContact O-CB 3.2Å; L89-E93 WeakPolarHBondContact O-CG 3.32Å; L89-E93 PolarHBondContact O-N 2.79Å; E93-A96 PolarHBondContact O-N 3.34Å; E93-F97 WeakPolarHBondContact O-CB 2.8Å; E93-F97 PolarHBondContact O-N 3.27Å; E93-Y121 WeakPolarHBondContact OE1-CE2 3.14Å; E93-Y121 VanDerWaalsContact OE1-CZ 3.31Å; E93-Y121 PolarHBondContact OE1-OH 2.6Å; E93-K140 IonicContact OE1-NZ 2.72Å; E93-K140 IonicContact OE2-NZ 3.78Å; E93-K140 PolarHBondContact OE2-NZ 3.06Å; E93-L142 HydrophobicContact CB-CD2 3.85Å; E93-L142 HydrophobicContact CG-CD2 3.76Å
94S97.1Very high97.6Very high31 Ų3148 Ų4822%0.21724%0.236CC..Hα-helixtrans-59.9-45.9174.2-173.90000111.5A90 A96 F97 F98A90-S94 VanDerWaalsContact O-CB 3.29Å; A90-S94 WeakPolarHBondContact O-CB 3.31Å; A90-S94 PolarHBondContact O-N 2.88Å; S94-A96 PolarHBondContact O-N 2.87Å; S94-F97 PolarHBondContact O-N 3.44Å; S94-F98 WeakPolarHBondContact O-CD2 3.38Å; S94-F98 PolarHBondContact O-N 2.85Å; S94-F98 VanDerWaalsContact O-N 3.09Å
95Q96.8Very high97.7Very high48 Ų4849 Ų4922%0.22424%0.243CC..Hα-helixtrans-55.6-51.3174.7-176.366.834.300111.8F5 Y60 R91 I92 F97 F98 E99F5-Q95 HydrophobicContact CE1-CG 4.3Å; F5-Q95 HydrophobicContact CZ-CG 4.28Å; Y60-Q95 HydrophobicContact CE2-CB 4.37Å; Y60-Q95 HydrophobicContact CE2-CG 4.26Å; R91-Q95 VanDerWaalsContact NH1-OE1 3.15Å; R91-Q95 PolarHBondContact O-N 3.19Å; I92-Q95 WeakPolarHBondContact O-CB 3.47Å; I92-Q95 PolarHBondContact O-N 3.19Å; Q95-F97 VanDerWaalsContact C-N 3.33Å; Q95-F97 PolarHBondContact O-N 2.71Å; Q95-F98 PolarHBondContact O-N 2.89Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.49Å; Q95-E99 PolarHBondContact NE2-OE1 2.94Å; Q95-E99 WeakPolarHBondContact O-CG 2.97Å; Q95-E99 PolarHBondContact O-N 2.81Å; Q95-E99 VanDerWaalsContact O-N 3.09Å
96A97.8Very high97.7Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-65.1-38.5-177.200000112.2Y60 L68 I92 E93 S94 F98 E99 G100 C101 L142Y60-A96 HydrophobicContact CE2-CB 4.17Å; Y60-A96 VanDerWaalsContact OH-CA 3.23Å; Y60-A96 WeakPolarHBondContact OH-CA 3.44Å; Y60-A96 WeakPolarHBondContact OH-CB 3.26Å; Y60-A96 PolarHBondContact OH-N 2.71Å; L68-A96 HydrophobicContact CB-CB 3.8Å; L68-A96 HydrophobicContact CD1-CB 3.83Å; L68-A96 HydrophobicContact CD2-CB 3.77Å; L68-A96 HydrophobicContact CG-CB 3.97Å; I92-A96 WeakPolarHBondContact O-CB 3.27Å; I92-A96 PolarHBondContact O-N 2.63Å; E93-A96 PolarHBondContact O-N 3.34Å; S94-A96 PolarHBondContact O-N 2.87Å; A96-F98 PolarHBondContact O-N 3.24Å; A96-E99 CarbonylContact O-C 3.57Å; A96-E99 WeakPolarHBondContact O-CA 3.2Å; A96-E99 PolarHBondContact O-N 2.85Å; A96-E99 VanDerWaalsContact O-N 3.09Å; A96-G100 PolarHBondContact O-N 3.42Å; A96-C101 HydrophobicContact CB-CB 3.87Å; A96-C101 VanDerWaalsContact O-CB 3.28Å; A96-C101 WeakPolarHBondContact O-CB 3.49Å; A96-C101 PolarHBondContact O-N 2.86Å; A96-L142 HydrophobicContact CB-CD1 4.17Å
97F97.7Very high97.7Very high68 Ų6843.8 Ų43.830%0.29823%0.227SC..Hα-helixtrans-58.8-46.6174.6-177.5-90.4000111.5E93 S94 Q95 E99 G100 L142E93-F97 WeakPolarHBondContact O-CB 2.8Å; E93-F97 PolarHBondContact O-N 3.27Å; S94-F97 PolarHBondContact O-N 3.44Å; Q95-F97 VanDerWaalsContact C-N 3.33Å; Q95-F97 PolarHBondContact O-N 2.71Å; F97-E99 PolarHBondContact O-N 3.06Å; F97-G100 PolarHBondContact O-N 3.15Å; F97-L142 HydrophobicContact CB-CB 4.48Å; F97-L142 HydrophobicContact CD2-CB 3.91Å
98F96.7Very high97.7Very high161 Ų16138.7 Ų38.771%0.70620%0.204SC*.Hα-helixtrans-65.5-23.7175.5-76-62.6000113.5S94 Q95 A96 G100S94-F98 WeakPolarHBondContact O-CD2 3.38Å; S94-F98 PolarHBondContact O-N 2.85Å; S94-F98 VanDerWaalsContact O-N 3.09Å; Q95-F98 PolarHBondContact O-N 2.89Å; A96-F98 PolarHBondContact O-N 3.24Å; F98-G100 VanDerWaalsContact C-N 3.28Å
99E96.7Very high97.6Very high75 Ų7540.8 Ų40.835%0.3521%0.214SC..THydrogen-bonded Turntrans-87.58.8172.7-63.9172.5-174.600113.4Y60 K62 Q95 A96 F97Y60-E99 VanDerWaalsContact OH-CD 3.27Å; Y60-E99 PolarHBondContact OH-OE2 3.29Å; K62-E99 WeakPolarHBondContact CE-OE2 3.33Å; K62-E99 IonicContact NZ-OE2 2.9Å; K62-E99 PolarHBondContact NZ-OE2 2.82Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.49Å; Q95-E99 PolarHBondContact NE2-OE1 2.94Å; Q95-E99 WeakPolarHBondContact O-CG 2.97Å; Q95-E99 PolarHBondContact O-N 2.81Å; Q95-E99 VanDerWaalsContact O-N 3.09Å; A96-E99 CarbonylContact O-C 3.57Å; A96-E99 WeakPolarHBondContact O-CA 3.2Å; A96-E99 PolarHBondContact O-N 2.85Å; A96-E99 VanDerWaalsContact O-N 3.09Å; F97-E99 PolarHBondContact O-N 3.06Å
100G97.7Very high97.5Very high44 Ų4443.9 Ų43.945%0.45423%0.231SC..THydrogen-bonded Turntrans93.92.7174.200000115.6A96 F97 F98A96-G100 PolarHBondContact O-N 3.42Å; F97-G100 PolarHBondContact O-N 3.15Å; F98-G100 VanDerWaalsContact C-N 3.28Å
101C98.3Very high97.4Very high1 Ų146.4 Ų46.41%0.00725%0.246CC..  trans-69.2140173.8-59.70000111.4K62 S66 A96 L142K62-C101 WeakPolarHBondContact CE-SG 3.34Å; S66-C101 CarbonylContact O-C 3.59Å; S66-C101 VanDerWaalsContact O-CA 3.28Å; S66-C101 WeakPolarHBondContact O-CA 3.38Å; S66-C101 WeakPolarHBondContact O-CB 3.47Å; A96-C101 HydrophobicContact CB-CB 3.87Å; A96-C101 VanDerWaalsContact O-CB 3.28Å; A96-C101 WeakPolarHBondContact O-CB 3.49Å; A96-C101 PolarHBondContact O-N 2.86Å; C101-L142 HydrophobicContact CB-CD1 3.89Å
102Q98.1Very high97.3Very high138 Ų13843.4 Ų43.465%0.64524%0.24SC*.  trans-110.5-22.7-179.9-61.7176.931.900111.9S66 L142S66-Q102 PolarHBondContact O-N 3.12Å; Q102-L142 PolarHBondContact O-N 2.92Å
103T98.4Very high97.2Very high29 Ų2945.8 Ų45.818%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-134.2156.3-179.565.70000111.1S66 T67 L68 K140S66-T103 PolarHBondContact O-N 3.1Å; T67-T103 WeakPolarHBondContact CA-O 3.37Å; L68-T103 PolarHBondContact N-O 3.44Å; T103-K140 CarbonylContact C-O 3.5Å; T103-K140 WeakPolarHBondContact CA-O 3.29Å
104S98.7Very high97.2Very high0 Ų047.4 Ų47.40%027%0.267CS..EExtended strand (participates in β ladder)trans-120.1130167.4179.70000108.7L68 P70 Y121 Q139 K140L68-S104 CarbonylContact O-C 3.58Å; L68-S104 VanDerWaalsContact O-CA 3.31Å; L68-S104 WeakPolarHBondContact O-CA 3.49Å; P70-S104 VanDerWaalsContact CD-OG 3.26Å; P70-S104 WeakPolarHBondContact CD-OG 3.34Å; S104-Y121 VanDerWaalsContact CB-OH 3.26Å; S104-Y121 WeakPolarHBondContact CB-OH 3.28Å; S104-Y121 PolarHBondContact OG-OH 2.84Å; S104-Q139 CarbonylContact O-C 3.52Å; S104-Q139 VanDerWaalsContact O-CA 3.25Å; S104-Q139 WeakPolarHBondContact O-CA 3.46Å; S104-K140 PolarHBondContact N-O 3.37Å; S104-K140 PolarHBondContact O-N 2.85Å
105V98.6Very high97.2Very high28 Ų2849.1 Ų49.117%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-127.5131.6178.6177.50000108.4L63 T67 L68 N69 M138 Q139L63-V105 HydrophobicContact CD1-CB 4.24Å; L63-V105 HydrophobicContact CD1-CG1 4.4Å; T67-V105 HydrophobicContact CG2-CB 4.1Å; T67-V105 HydrophobicContact CG2-CG2 3.79Å; L68-V105 PolarHBondContact O-N 3.44Å; N69-V105 WeakPolarHBondContact CA-O 3.49Å; N69-V105 WeakPolarHBondContact CB-O 3.31Å; N69-V105 PolarHBondContact ND2-O 3.4Å; V105-M138 CarbonylContact C-O 3.56Å; V105-M138 WeakPolarHBondContact CA-O 3.26Å; V105-Q139 HydrophobicContact CG2-CB 4.24Å; V105-Q139 HydrophobicContact CG2-CG 3.95Å
106L98.3Very high97.3Very high2 Ų247.7 Ų47.71%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-141.8159.8179.156.784.9000112.1P70 A108 Y116 Y121 K137 M138P70-L106 HydrophobicContact CG-CD2 4.43Å; L106-A108 HydrophobicContact CD1-CB 3.68Å; L106-Y116 HydrophobicContact CD1-CD1 4.07Å; L106-Y116 HydrophobicContact CD1-CD2 4.11Å; L106-Y116 HydrophobicContact CD1-CE1 3.9Å; L106-Y116 HydrophobicContact CD1-CE2 3.94Å; L106-Y116 HydrophobicContact CD1-CG 4.19Å; L106-Y116 HydrophobicContact CD2-CD1 3.68Å; L106-Y116 HydrophobicContact CD2-CE1 3.28Å; L106-Y116 HydrophobicContact CG-CE1 4.26Å; L106-Y121 HydrophobicContact CD2-CD1 3.96Å; L106-Y121 HydrophobicContact CD2-CE1 3.41Å; L106-Y121 VanDerWaalsContact CD2-CE1 3.41Å; L106-Y121 HydrophobicContact CD2-CE2 4.48Å; L106-Y121 HydrophobicContact CG-CD1 4.12Å; L106-Y121 HydrophobicContact CG-CE1 3.87Å; L106-K137 CarbonylContact O-C 3.57Å; L106-K137 WeakPolarHBondContact O-CA 3.43Å; L106-M138 HydrophobicContact CD1-CB 4.02Å; L106-M138 HydrophobicContact CD1-CG 4.49Å; L106-M138 PolarHBondContact N-O 2.98Å; L106-M138 PolarHBondContact O-N 3.07Å
107S97.7Very high97.3Very high36 Ų3652.2 Ų52.225%0.25229%0.285SS..EExtended strand (participates in β ladder)trans-88.3124.6161.8-60.30000108.1E130S107-E130 WeakPolarHBondContact CB-OE2 3.45Å; S107-E130 PolarHBondContact OG-OE1 2.8Å; S107-E130 PolarHBondContact OG-OE2 2.86Å
108A97.6Very high97.2Very high1 Ų156.9 Ų56.91%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-114.2129.117500000109.5L106 Y116 C135 V136 M138L106-A108 HydrophobicContact CD1-CB 3.68Å; A108-Y116 HydrophobicContact CB-CD2 3.48Å; A108-Y116 VanDerWaalsContact CB-CD2 3.48Å; A108-Y116 HydrophobicContact CB-CE2 3.59Å; A108-Y116 HydrophobicContact CB-CG 4.47Å; A108-C135 CarbonylContact O-C 3.54Å; A108-C135 WeakPolarHBondContact O-CA 3.48Å; A108-V136 HydrophobicContact CB-CG2 4.47Å; A108-V136 PolarHBondContact N-O 2.7Å; A108-V136 PolarHBondContact O-N 3.05Å; A108-M138 HydrophobicContact CB-CG 4.05Å; A108-M138 HydrophobicContact CB-SD 3.62Å
109E96.2Very high97.2Very high45 Ų4550.3 Ų50.321%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-52.2143.7161.6-59.7176.6-145.700109.5Q27 S111 A112 Q113 I133Q27-E109 PolarHBondContact NE2-OE1 3.31Å; Q27-E109 PolarHBondContact OE1-OE1 3.24Å; E109-S111 WeakPolarHBondContact CB-OG 3.4Å; E109-S111 PolarHBondContact O-N 2.89Å; E109-S111 VanDerWaalsContact O-N 3.09Å; E109-S111 PolarHBondContact OE2-OG 2.94Å; E109-A112 HydrophobicContact CB-CB 4.44Å; E109-A112 WeakPolarHBondContact O-CA 3.22Å; E109-A112 PolarHBondContact O-N 2.95Å; E109-Q113 PolarHBondContact O-N 2.87Å; E109-I133 HydrophobicContact CB-CG2 4.28Å; E109-I133 HydrophobicContact CG-CG2 3.9Å
110L96.1Very high97.2Very high66 Ų6649.1 Ų49.135%0.34629%0.285SS..THydrogen-bonded Turntrans-55.6-31.6175.9-69.9-178.4000112.5A112 Q113 I127 P134 V136L110-A112 PolarHBondContact O-N 3.4Å; L110-Q113 PolarHBondContact O-N 2.84Å; L110-I127 HydrophobicContact CD1-CD1 4.05Å; L110-I127 HydrophobicContact CD1-CG2 4.23Å; L110-I127 HydrophobicContact CD2-CD1 4.3Å; L110-I127 HydrophobicContact CD2-CG1 4.22Å; L110-P134 HydrophobicContact CD1-CB 3.61Å; L110-P134 HydrophobicContact CG-CB 4.05Å; L110-P134 WeakPolarHBondContact CG-O 3.18Å; L110-P134 PolarHBondContact N-O 2.89Å; L110-V136 HydrophobicContact CD2-CG1 3.73Å; L110-V136 HydrophobicContact CD2-CG2 4.29Å
111S93.5Very high97.3Very high95 Ų9547.3 Ų47.366%0.66427%0.265SS*.THydrogen-bonded Turntrans-60.8-31175.269.40000112.9E109E109-S111 WeakPolarHBondContact CB-OG 3.4Å; E109-S111 PolarHBondContact O-N 2.89Å; E109-S111 VanDerWaalsContact O-N 3.09Å; E109-S111 PolarHBondContact OE2-OG 2.94Å
112A95.3Very high97.3Very high26 Ų2654 Ų5422%0.21529%0.29CS..THydrogen-bonded Turntrans-99.6-9.4-175.900000113.5E109 L110 A114 F115 Y116E109-A112 HydrophobicContact CB-CB 4.44Å; E109-A112 WeakPolarHBondContact O-CA 3.22Å; E109-A112 PolarHBondContact O-N 2.95Å; L110-A112 PolarHBondContact O-N 3.4Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.88Å; A112-F115 WeakPolarHBondContact O-CA 3.46Å; A112-F115 VanDerWaalsContact O-CB 3.31Å; A112-F115 WeakPolarHBondContact O-CB 3.31Å; A112-F115 PolarHBondContact O-N 2.91Å; A112-Y116 HydrophobicContact CB-CD2 4.1Å; A112-Y116 HydrophobicContact CB-CE2 3.83Å; A112-Y116 VanDerWaalsContact O-CD2 3.27Å; A112-Y116 WeakPolarHBondContact O-CD2 3.45Å; A112-Y116 PolarHBondContact O-N 3.18Å
113Q97Very high97.3Very high49 Ų4950.1 Ų50.123%0.22928%0.275CS..Hα-helixtrans-50.4-49.4-178.8-179.4-176.4-27.700112.3E109 L110 F115 Y116 E117 V123 M138E109-Q113 PolarHBondContact O-N 2.87Å; L110-Q113 PolarHBondContact O-N 2.84Å; Q113-F115 PolarHBondContact O-N 2.75Å; Q113-Y116 PolarHBondContact O-N 3.42Å; Q113-E117 HydrophobicContact CG-CG 4.24Å; Q113-E117 PolarHBondContact NE2-OE1 2.75Å; Q113-E117 WeakPolarHBondContact O-CG 3.33Å; Q113-E117 PolarHBondContact O-N 3.09Å; Q113-V123 HydrophobicContact CG-CG2 4.13Å; Q113-M138 HydrophobicContact CB-SD 4.44Å; Q113-M138 HydrophobicContact CG-CE 4Å; Q113-M138 HydrophobicContact CG-SD 4.09Å
114A97Very high97.3Very high52 Ų5252 Ų5243%0.4329%0.286SS..Hα-helixtrans-63.5-25.3-179.300000113.4A112 K118A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.88Å; A114-K118 WeakPolarHBondContact O-CD 3Å; A114-K118 VanDerWaalsContact O-CG 3.23Å; A114-K118 WeakPolarHBondContact O-CG 3.36Å; A114-K118 PolarHBondContact O-N 2.85Å
115F97.1Very high97.2Very high68 Ų6853.7 Ų53.730%0.29830%0.298SS..Hα-helixtrans-71.1-46.3172.5159.4-97000110.8R86 L89 A112 Q113 K118 I119R86-F115 HydrophobicContact CB-CE2 4.35Å; L89-F115 HydrophobicContact CD1-CE1 3.62Å; L89-F115 HydrophobicContact CD1-CZ 3.81Å; A112-F115 WeakPolarHBondContact O-CA 3.46Å; A112-F115 VanDerWaalsContact O-CB 3.31Å; A112-F115 WeakPolarHBondContact O-CB 3.31Å; A112-F115 PolarHBondContact O-N 2.91Å; Q113-F115 PolarHBondContact O-N 2.75Å; F115-K118 PolarHBondContact O-N 3.36Å; F115-I119 HydrophobicContact CE1-CD1 3.91Å; F115-I119 HydrophobicContact CZ-CD1 3.89Å
116Y98.2Very high97.2Very high18 Ų1859.5 Ų59.57%0.07133%0.328CS..Hα-helixtrans-67.3-38.8179.2-72.6-67.7000112.8L89 L106 A108 A112 Q113 K118 I119 G120 Y121 M138L89-Y116 HydrophobicContact CD1-CD1 4Å; L89-Y116 HydrophobicContact CD1-CE1 3.56Å; L106-Y116 HydrophobicContact CD1-CD1 4.07Å; L106-Y116 HydrophobicContact CD1-CD2 4.11Å; L106-Y116 HydrophobicContact CD1-CE1 3.9Å; L106-Y116 HydrophobicContact CD1-CE2 3.94Å; L106-Y116 HydrophobicContact CD1-CG 4.19Å; L106-Y116 HydrophobicContact CD2-CD1 3.68Å; L106-Y116 HydrophobicContact CD2-CE1 3.28Å; L106-Y116 HydrophobicContact CG-CE1 4.26Å; A108-Y116 HydrophobicContact CB-CD2 3.48Å; A108-Y116 VanDerWaalsContact CB-CD2 3.48Å; A108-Y116 HydrophobicContact CB-CE2 3.59Å; A108-Y116 HydrophobicContact CB-CG 4.47Å; A112-Y116 HydrophobicContact CB-CD2 4.1Å; A112-Y116 HydrophobicContact CB-CE2 3.83Å; A112-Y116 VanDerWaalsContact O-CD2 3.27Å; A112-Y116 WeakPolarHBondContact O-CD2 3.45Å; A112-Y116 PolarHBondContact O-N 3.18Å; Q113-Y116 PolarHBondContact O-N 3.42Å; Y116-K118 VanDerWaalsContact C-N 3.32Å; Y116-K118 PolarHBondContact O-N 3.5Å; Y116-I119 HydrophobicContact CD1-CD1 4.09Å; Y116-I119 CarbonylContact O-C 3.57Å; Y116-I119 WeakPolarHBondContact O-CG1 3.35Å; Y116-I119 PolarHBondContact O-N 2.78Å; Y116-I119 VanDerWaalsContact O-N 3.12Å; Y116-G120 PolarHBondContact O-N 2.86Å; Y116-Y121 HydrophobicContact CD1-CD2 4.16Å; Y116-Y121 HydrophobicContact CD1-CE2 4.36Å; Y116-Y121 HydrophobicContact CD1-CG 4.41Å; Y116-Y121 WeakPolarHBondContact O-CB 3.49Å; Y116-Y121 PolarHBondContact O-N 2.94Å; Y116-M138 VanDerWaalsContact CB-SD 3.56Å; Y116-M138 HydrophobicContact CD2-SD 4.18Å; Y116-M138 HydrophobicContact CG-SD 4.16Å
117E98.2Very high97.2Very high95 Ų9564.8 Ų64.844%0.44436%0.355SS..Hα-helixtrans-59.2-42.4174.3-72.5176.2162.700111.8Q113 I119 G120 Y121 M138Q113-E117 HydrophobicContact CG-CG 4.24Å; Q113-E117 PolarHBondContact NE2-OE1 2.75Å; Q113-E117 WeakPolarHBondContact O-CG 3.33Å; Q113-E117 PolarHBondContact O-N 3.09Å; E117-I119 PolarHBondContact O-N 3.31Å; E117-I119 VanDerWaalsContact O-N 3.1Å; E117-G120 PolarHBondContact O-N 3.01Å; E117-G120 VanDerWaalsContact O-N 3.15Å; E117-Y121 WeakPolarHBondContact CA-O 3.19Å; E117-M138 HydrophobicContact CG-CE 3.76Å
118K96.9Very high97.2Very high165 Ų16566.1 Ų66.172%0.71736%0.357SS*.THydrogen-bonded Turntrans-63.4-16.9178.2-76.7173.1-175.1175.90114.1A114 F115 Y116A114-K118 WeakPolarHBondContact O-CD 3Å; A114-K118 VanDerWaalsContact O-CG 3.23Å; A114-K118 WeakPolarHBondContact O-CG 3.36Å; A114-K118 PolarHBondContact O-N 2.85Å; F115-K118 PolarHBondContact O-N 3.36Å; Y116-K118 VanDerWaalsContact C-N 3.32Å; Y116-K118 PolarHBondContact O-N 3.5Å
119I95.5Very high97.1Very high23 Ų2373.2 Ų73.212%0.11839%0.39CS..THydrogen-bonded Turntrans-114.214.1-179.262.1173.8000112.5R86 L89 F115 Y116 E117 Y121 K140R86-I119 HydrophobicContact CB-CG2 4.4Å; R86-I119 HydrophobicContact CG-CG2 3.92Å; L89-I119 HydrophobicContact CB-CD1 4.42Å; L89-I119 HydrophobicContact CD1-CD1 3.2Å; L89-I119 HydrophobicContact CG-CD1 4.41Å; F115-I119 HydrophobicContact CE1-CD1 3.91Å; F115-I119 HydrophobicContact CZ-CD1 3.89Å; Y116-I119 HydrophobicContact CD1-CD1 4.09Å; Y116-I119 CarbonylContact O-C 3.57Å; Y116-I119 WeakPolarHBondContact O-CG1 3.35Å; Y116-I119 PolarHBondContact O-N 2.78Å; Y116-I119 VanDerWaalsContact O-N 3.12Å; E117-I119 PolarHBondContact O-N 3.31Å; E117-I119 VanDerWaalsContact O-N 3.1Å; I119-Y121 HydrophobicContact CD1-CD2 4.25Å; I119-Y121 HydrophobicContact CD1-CE2 4.15Å; I119-Y121 HydrophobicContact CG1-CD2 3.96Å; I119-Y121 HydrophobicContact CG1-CE2 4.27Å; I119-K140 WeakPolarHBondContact O-CD 3.39Å; I119-K140 WeakPolarHBondContact O-CE 3.44Å; I119-K140 PolarHBondContact O-NZ 2.86Å
120G97.5Very high96.9Very high50 Ų5074.1 Ų74.152%0.51539%0.394SS..THydrogen-bonded Turntrans99.98167.100000115.8Y116 E117Y116-G120 PolarHBondContact O-N 2.86Å; E117-G120 PolarHBondContact O-N 3.01Å; E117-G120 VanDerWaalsContact O-N 3.15Å
121Y98.5Very high96.6Very high7 Ų773.2 Ų73.23%0.02739%0.39CS..  trans-81.9149.9172.3-71.9-106.4000111.2E93 S104 L106 Y116 E117 I119 M138 Q139 K140E93-Y121 WeakPolarHBondContact OE1-CE2 3.14Å; E93-Y121 VanDerWaalsContact OE1-CZ 3.31Å; E93-Y121 PolarHBondContact OE1-OH 2.6Å; S104-Y121 VanDerWaalsContact CB-OH 3.26Å; S104-Y121 WeakPolarHBondContact CB-OH 3.28Å; S104-Y121 PolarHBondContact OG-OH 2.84Å; L106-Y121 HydrophobicContact CD2-CD1 3.96Å; L106-Y121 HydrophobicContact CD2-CE1 3.41Å; L106-Y121 VanDerWaalsContact CD2-CE1 3.41Å; L106-Y121 HydrophobicContact CD2-CE2 4.48Å; L106-Y121 HydrophobicContact CG-CD1 4.12Å; L106-Y121 HydrophobicContact CG-CE1 3.87Å; Y116-Y121 HydrophobicContact CD1-CD2 4.16Å; Y116-Y121 HydrophobicContact CD1-CE2 4.36Å; Y116-Y121 HydrophobicContact CD1-CG 4.41Å; Y116-Y121 WeakPolarHBondContact O-CB 3.49Å; Y116-Y121 PolarHBondContact O-N 2.94Å; E117-Y121 WeakPolarHBondContact CA-O 3.19Å; I119-Y121 HydrophobicContact CD1-CD2 4.25Å; I119-Y121 HydrophobicContact CD1-CE2 4.15Å; I119-Y121 HydrophobicContact CG1-CD2 3.96Å; I119-Y121 HydrophobicContact CG1-CE2 4.27Å; Y121-M138 HydrophobicContact CD1-CB 4.13Å; Y121-Q139 CarbonylContact C-O 3.39Å; Y121-Q139 VanDerWaalsContact CA-O 3.31Å; Y121-Q139 WeakPolarHBondContact CA-O 3.2Å; Y121-K140 HydrophobicContact CD1-CB 3.71Å; Y121-K140 HydrophobicContact CD2-CB 3.83Å; Y121-K140 HydrophobicContact CD2-CD 3.8Å; Y121-K140 HydrophobicContact CD2-CG 4.42Å; Y121-K140 HydrophobicContact CE1-CB 3.73Å; Y121-K140 HydrophobicContact CE2-CB 3.86Å; Y121-K140 HydrophobicContact CE2-CD 3.53Å; Y121-K140 HydrophobicContact CE2-CG 4.35Å; Y121-K140 HydrophobicContact CG-CB 3.74Å
122R98.4Very high96.3Very high141 Ų14171.2 Ų71.253%0.53238%0.384SS..EExtended strand (participates in β ladder)trans-122.8146.1172.465.4-175.6179-150.4-5.5110.7V124 M138 Q139R122-V124 HydrophobicContact CG-CG1 4.11Å; R122-M138 CarbonylContact O-C 3.59Å; R122-M138 WeakPolarHBondContact O-CA 3.46Å; R122-Q139 PolarHBondContact N-O 2.84Å; R122-Q139 PolarHBondContact O-N 3.06Å
123V98.5Very high96.2Very high57 Ų5771.7 Ų71.735%0.34538%0.383SS..EExtended strand (participates in β ladder)trans-65.8134.9172.7178.50000110Q113 S125 V136 K137 M138Q113-V123 HydrophobicContact CG-CG2 4.13Å; V123-S125 VanDerWaalsContact CG1-O 3.29Å; V123-S125 WeakPolarHBondContact CG1-O 3.49Å; V123-V136 HydrophobicContact CG1-CB 4.11Å; V123-V136 HydrophobicContact CG1-CG1 4.3Å; V123-V136 HydrophobicContact CG2-CG2 4.16Å; V123-K137 WeakPolarHBondContact CA-O 3.48Å; V123-M138 HydrophobicContact CG2-CE 4.05Å; V123-M138 HydrophobicContact CG2-CG 4.31Å
124V98.3Very high96.1Very high67 Ų6772.5 Ų72.541%0.40639%0.392SS..  trans-131.812-179-63.10000113.4R122 K137 Q139R122-V124 HydrophobicContact CG-CG1 4.11Å; V124-K137 HydrophobicContact CG2-CB 3.88Å; V124-K137 WeakPolarHBondContact CG2-O 3.47Å; V124-K137 PolarHBondContact N-O 2.74Å; V124-Q139 HydrophobicContact CG1-CB 3.93Å; V124-Q139 HydrophobicContact CG2-CB 4.2Å
125S98.1Very high96.2Very high37 Ų3770.2 Ų70.226%0.25937%0.373SS..SBendtrans-142.2166.4174.373.50000112V123 K137V123-S125 VanDerWaalsContact CG1-O 3.29Å; V123-S125 WeakPolarHBondContact CG1-O 3.49Å; S125-K137 PolarHBondContact OG-N 2.69Å
126D97.9Very high96.2Very high149 Ų14967.1 Ų67.180%0.79736%0.36SS*.  trans-64.9167.6157.9-61.5-43.3000110.7
127I98.1Very high96.2Very high113 Ų11371.3 Ų71.358%0.57938%0.378SS*.  trans-68.2133.8173.3-57.5174.2000108.9L110 P134 C135 V136L110-I127 HydrophobicContact CD1-CD1 4.05Å; L110-I127 HydrophobicContact CD1-CG2 4.23Å; L110-I127 HydrophobicContact CD2-CD1 4.3Å; L110-I127 HydrophobicContact CD2-CG1 4.22Å; I127-P134 HydrophobicContact CG2-CB 4.11Å; I127-C135 WeakPolarHBondContact CA-O 3.29Å; I127-V136 HydrophobicContact CG1-CG1 3.91Å
128F97.7Very high96.3Very high64 Ų6466.8 Ų66.828%0.28136%0.357SS..EExtended strand (participates in β ladder)trans-131171.5171.861.9-83.7000110.2E130 P134 C135 K137F128-E130 HydrophobicContact CD2-CB 4.33Å; F128-E130 HydrophobicContact CE2-CB 3.97Å; F128-P134 CarbonylContact O-C 3.53Å; F128-P134 WeakPolarHBondContact O-CA 3.25Å; F128-C135 WeakPolarHBondContact CD1-O 3.49Å; F128-C135 HydrophobicContact CD2-CB 4.27Å; F128-C135 HydrophobicContact CE1-CB 4.25Å; F128-C135 HydrophobicContact CE2-CB 3.78Å; F128-C135 HydrophobicContact CZ-CB 3.76Å; F128-C135 PolarHBondContact N-O 2.99Å; F128-C135 PolarHBondContact O-N 2.81Å; F128-K137 HydrophobicContact CE1-CG 3.64Å; F128-K137 HydrophobicContact CZ-CG 3.96Å
129E94.6Very high96.3Very high151 Ų15161.3 Ų61.371%0.70633%0.334SS*.EExtended strand (participates in β ladder)trans-103.6130.9175.4-168.7178.9115.700109.5I133E129-I133 WeakPolarHBondContact CA-O 3.38Å
130E92.3Very high96.5Very high63 Ų6362.2 Ų62.229%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-131.9125.9172.5-175.5170.5-121.600107.6S107 F128 G132 I133 C135S107-E130 WeakPolarHBondContact CB-OE2 3.45Å; S107-E130 PolarHBondContact OG-OE1 2.8Å; S107-E130 PolarHBondContact OG-OE2 2.86Å; F128-E130 HydrophobicContact CD2-CB 4.33Å; F128-E130 HydrophobicContact CE2-CB 3.97Å; E130-G132 PolarHBondContact O-N 3.29Å; E130-I133 PolarHBondContact N-O 2.88Å; E130-I133 WeakPolarHBondContact O-CA 3.44Å; E130-I133 PolarHBondContact O-N 2.88Å; E130-C135 HydrophobicContact CB-CB 4.32Å
131D89.6Confident96.5Very high48 Ų4866 Ų6626%0.25734%0.341SS..THydrogen-bonded Turntrans5329.9-178.2-55.3-30.7000114.5I29 L33 R72 I133I29-D131 HydrophobicContact CD1-CB 4.4Å; I29-D131 HydrophobicContact CG2-CB 4.11Å; L33-D131 HydrophobicContact CB-CB 4.37Å; L33-D131 HydrophobicContact CD1-CB 4.43Å; R72-D131 IonicContact CZ-OD2 3.53Å; R72-D131 IonicContact NH2-OD2 3.9Å; R72-D131 PolarHBondContact NH2-OD2 2.67Å; D131-I133 VanDerWaalsContact C-N 3.32Å
132G88.7Confident96.4Very high53 Ų5366.3 Ų66.355%0.54634%0.343SS..THydrogen-bonded Turntrans81.85.7-176.900000114.7E130E130-G132 PolarHBondContact O-N 3.29Å
133I92Very high96.1Very high36 Ų3664.6 Ų64.619%0.18535%0.349CS..EExtended strand (participates in β ladder)trans-112.7134.1-177.4-57179.8000110.3I29 E109 E129 E130 D131 C135I29-I133 HydrophobicContact CD1-CD1 3.62Å; I29-I133 HydrophobicContact CG1-CD1 3.95Å; E109-I133 HydrophobicContact CB-CG2 4.28Å; E109-I133 HydrophobicContact CG-CG2 3.9Å; E129-I133 WeakPolarHBondContact CA-O 3.38Å; E130-I133 PolarHBondContact N-O 2.88Å; E130-I133 WeakPolarHBondContact O-CA 3.44Å; E130-I133 PolarHBondContact O-N 2.88Å; D131-I133 VanDerWaalsContact C-N 3.32Å; I133-C135 PolarHBondContact O-N 3.08Å
134P96Very high95.1Very high65 Ų6565.6 Ų65.642%0.42236%0.358SS..EExtended strand (participates in β ladder)trans-64.1122.3171.1-2435.1000112.3L110 I127 F128L110-P134 HydrophobicContact CD1-CB 3.61Å; L110-P134 HydrophobicContact CG-CB 4.05Å; L110-P134 WeakPolarHBondContact CG-O 3.18Å; L110-P134 PolarHBondContact N-O 2.89Å; I127-P134 HydrophobicContact CG2-CB 4.11Å; F128-P134 CarbonylContact O-C 3.53Å; F128-P134 WeakPolarHBondContact O-CA 3.25Å
135C97.4Very high93.6Very high4 Ų471.9 Ų71.93%0.02739%0.389CS..EExtended strand (participates in β ladder)trans-128.1161.6-177.1-70.20000112.1A108 I127 F128 E130 I133A108-C135 CarbonylContact O-C 3.54Å; A108-C135 WeakPolarHBondContact O-CA 3.48Å; I127-C135 WeakPolarHBondContact CA-O 3.29Å; F128-C135 WeakPolarHBondContact CD1-O 3.49Å; F128-C135 HydrophobicContact CD2-CB 4.27Å; F128-C135 HydrophobicContact CE1-CB 4.25Å; F128-C135 HydrophobicContact CE2-CB 3.78Å; F128-C135 HydrophobicContact CZ-CB 3.76Å; F128-C135 PolarHBondContact N-O 2.99Å; F128-C135 PolarHBondContact O-N 2.81Å; E130-C135 HydrophobicContact CB-CB 4.32Å; I133-C135 PolarHBondContact O-N 3.08Å
136V98.3Very high93.3Very high4 Ų473.6 Ų73.62%0.02440%0.396CS..EExtended strand (participates in β ladder)trans-132.3148.6169.4-72.60000110A108 L110 V123 I127 M138A108-V136 HydrophobicContact CB-CG2 4.47Å; A108-V136 PolarHBondContact N-O 2.7Å; A108-V136 PolarHBondContact O-N 3.05Å; L110-V136 HydrophobicContact CD2-CG1 3.73Å; L110-V136 HydrophobicContact CD2-CG2 4.29Å; V123-V136 HydrophobicContact CG1-CB 4.11Å; V123-V136 HydrophobicContact CG1-CG1 4.3Å; V123-V136 HydrophobicContact CG2-CG2 4.16Å; I127-V136 HydrophobicContact CG1-CG1 3.91Å; V136-M138 HydrophobicContact CG2-CG 4.02Å; V136-M138 HydrophobicContact CG2-SD 4.35Å
137K98.5Very high93.1Very high105 Ų10569.6 Ų69.646%0.45737%0.374SS..EExtended strand (participates in β ladder)trans-80.6134.2170.8-65.8-167.7177.4-178.50108L106 V123 V124 S125 F128L106-K137 CarbonylContact O-C 3.57Å; L106-K137 WeakPolarHBondContact O-CA 3.43Å; V123-K137 WeakPolarHBondContact CA-O 3.48Å; V124-K137 HydrophobicContact CG2-CB 3.88Å; V124-K137 WeakPolarHBondContact CG2-O 3.47Å; V124-K137 PolarHBondContact N-O 2.74Å; S125-K137 PolarHBondContact OG-N 2.69Å; F128-K137 HydrophobicContact CE1-CG 3.64Å; F128-K137 HydrophobicContact CZ-CG 3.96Å
138M98.7Very high92.8Very high0 Ų067.2 Ų67.20%036%0.363CS..EExtended strand (participates in β ladder)trans-128146.7177.4-55.7-170.574.700110.9V105 L106 A108 Q113 Y116 E117 Y121 R122 V123 V136V105-M138 CarbonylContact C-O 3.56Å; V105-M138 WeakPolarHBondContact CA-O 3.26Å; L106-M138 HydrophobicContact CD1-CB 4.02Å; L106-M138 HydrophobicContact CD1-CG 4.49Å; L106-M138 PolarHBondContact N-O 2.98Å; L106-M138 PolarHBondContact O-N 3.07Å; A108-M138 HydrophobicContact CB-CG 4.05Å; A108-M138 HydrophobicContact CB-SD 3.62Å; Q113-M138 HydrophobicContact CB-SD 4.44Å; Q113-M138 HydrophobicContact CG-CE 4Å; Q113-M138 HydrophobicContact CG-SD 4.09Å; Y116-M138 VanDerWaalsContact CB-SD 3.56Å; Y116-M138 HydrophobicContact CD2-SD 4.18Å; Y116-M138 HydrophobicContact CG-SD 4.16Å; E117-M138 HydrophobicContact CG-CE 3.76Å; Y121-M138 HydrophobicContact CD1-CB 4.13Å; R122-M138 CarbonylContact O-C 3.59Å; R122-M138 WeakPolarHBondContact O-CA 3.46Å; V123-M138 HydrophobicContact CG2-CE 4.05Å; V123-M138 HydrophobicContact CG2-CG 4.31Å; V136-M138 HydrophobicContact CG2-CG 4.02Å; V136-M138 HydrophobicContact CG2-SD 4.35Å
139Q98.6Very high92.5Very high50 Ų5067.4 Ų67.423%0.23437%0.368CS..EExtended strand (participates in β ladder)trans-133.3145.8-177.5180-178.6-16.800112S104 V105 Y121 R122 V124S104-Q139 CarbonylContact O-C 3.52Å; S104-Q139 VanDerWaalsContact O-CA 3.25Å; S104-Q139 WeakPolarHBondContact O-CA 3.46Å; V105-Q139 HydrophobicContact CG2-CB 4.24Å; V105-Q139 HydrophobicContact CG2-CG 3.95Å; Y121-Q139 CarbonylContact C-O 3.39Å; Y121-Q139 VanDerWaalsContact CA-O 3.31Å; Y121-Q139 WeakPolarHBondContact CA-O 3.2Å; R122-Q139 PolarHBondContact N-O 2.84Å; R122-Q139 PolarHBondContact O-N 3.06Å; V124-Q139 HydrophobicContact CG1-CB 3.93Å; V124-Q139 HydrophobicContact CG2-CB 4.2Å
140K98.4Very high92.4Very high43 Ų4362.2 Ų62.219%0.18735%0.347CS..EExtended strand (participates in β ladder)trans-136.1141.4172176.5178.6172.7-173.10110.6E93 T103 S104 I119 Y121E93-K140 IonicContact OE1-NZ 2.72Å; E93-K140 IonicContact OE2-NZ 3.78Å; E93-K140 PolarHBondContact OE2-NZ 3.06Å; T103-K140 CarbonylContact C-O 3.5Å; T103-K140 WeakPolarHBondContact CA-O 3.29Å; S104-K140 PolarHBondContact N-O 3.37Å; S104-K140 PolarHBondContact O-N 2.85Å; I119-K140 WeakPolarHBondContact O-CD 3.39Å; I119-K140 WeakPolarHBondContact O-CE 3.44Å; I119-K140 PolarHBondContact O-NZ 2.86Å; Y121-K140 HydrophobicContact CD1-CB 3.71Å; Y121-K140 HydrophobicContact CD2-CB 3.83Å; Y121-K140 HydrophobicContact CD2-CD 3.8Å; Y121-K140 HydrophobicContact CD2-CG 4.42Å; Y121-K140 HydrophobicContact CE1-CB 3.73Å; Y121-K140 HydrophobicContact CE2-CB 3.86Å; Y121-K140 HydrophobicContact CE2-CD 3.53Å; Y121-K140 HydrophobicContact CE2-CG 4.35Å; Y121-K140 HydrophobicContact CG-CB 3.74Å
141E98.1Very high92.4Very high128 Ų12862.1 Ų62.160%0.59835%0.35SS*.EExtended strand (participates in β ladder)trans-78.4130.1166.9-72.1175.1-164.100109.3
142L97.3Very high92.6Very high14 Ų1463.1 Ų63.17%0.07336%0.357CS..  trans-81.9135.9177.8-60.8-176.1000109.5L68 E93 A96 F97 C101 Q102L68-L142 HydrophobicContact CB-CD1 4.38Å; E93-L142 HydrophobicContact CB-CD2 3.85Å; E93-L142 HydrophobicContact CG-CD2 3.76Å; A96-L142 HydrophobicContact CB-CD1 4.17Å; F97-L142 HydrophobicContact CB-CB 4.48Å; F97-L142 HydrophobicContact CD2-CB 3.91Å; C101-L142 HydrophobicContact CB-CD1 3.89Å; Q102-L142 PolarHBondContact O-N 2.92Å
143V90.7Very high92.9Very high106 Ų10663.9 Ų63.964%0.64234%0.342SS*.  trans-127.8150.4176.2-64.70000108.5
144S78.6Confident93Very high77 Ų7766.3 Ų66.354%0.53836%0.356SS..  trans-65.1137166.357.90000109.3
145D65.6Low92.7Very high199 Ų19966.4 Ų66.4100%1.06435%0.35SS*.  trans-55.40168.8-71.1-41.1000112.4

Retrieved 145 of 145 residues in 371.2 ms (Link to these results)

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