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Endoribonuclease LACTB2

Endoribonuclease; cleaves preferentially 3' to purine-pyrimidine dinucleotide motifs in single-stranded RNA. The cleavage product contains a free 3' -OH group. Has no activity with double-stranded RNA or DNA. Required for normal mitochondrial function and cell viability.

AlphaFold DB , UniProt , Accession A0A060W6I8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 290 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
1M58.7Low91Very high246 Ų24692 Ų92100%1.21247%0.473SS*.  01310-78.8-175.3-105.900106.6
2S76.8Confident91.7Very high71 Ų7186.5 Ų86.550%0.49745%0.449SS..PPolyproline II helixtrans-68.6149177.6-168.80000110Q29 E168S2-Q29 PolarHBondContact OG-NE2 3.46Å; S2-E168 VanDerWaalsContact CA-OE2 3.31Å; S2-E168 WeakPolarHBondContact CA-OE2 3.34Å; S2-E168 WeakPolarHBondContact CB-OE2 3.13Å; S2-E168 PolarHBondContact OG-OE1 3.13Å; S2-E168 PolarHBondContact OG-OE2 3.3Å
3A85.8Confident92.2Very high39 Ų3985.5 Ų85.532%0.32245%0.454SS..PPolyproline II helixtrans-64.1143.9-179.200000110.7L5 Q29 E168 P200A3-L5 HydrophobicContact CB-CD2 4.11Å; A3-Q29 PolarHBondContact O-NE2 3.44Å; A3-E168 WeakPolarHBondContact CB-OE1 3.48Å; A3-E168 PolarHBondContact N-OE1 3.05Å; A3-P200 HydrophobicContact CB-CB 4.44Å; A3-P200 HydrophobicContact CB-CG 4.33Å
4I92.6Very high92.7Very high168 Ų16883.7 Ų83.786%0.86244%0.438SS*.PPolyproline II helixtrans-91116.5169.7-60.2175.3000106.9
5L96.9Very high93.1Very high26 Ų2678.1 Ų78.114%0.13641%0.408CS..PPolyproline II helixtrans-103.7127.6-179.9-56.3-178.7000109.3A3 L19 Q29 P200A3-L5 HydrophobicContact CB-CD2 4.11Å; L5-L19 HydrophobicContact CB-CD1 3.78Å; L5-L19 HydrophobicContact CB-CD2 4.45Å; L5-L19 HydrophobicContact CD1-CD2 4.33Å; L5-L19 WeakPolarHBondContact O-CD1 3.35Å; L5-Q29 HydrophobicContact CD1-CB 4.12Å; L5-Q29 HydrophobicContact CD1-CG 4.13Å; L5-Q29 HydrophobicContact CG-CB 4.5Å; L5-Q29 HydrophobicContact CG-CG 4.21Å; L5-P200 HydrophobicContact CD2-CB 4.13Å
6P97.6Very high93.4Very high62 Ų6273.3 Ų73.340%0.40338%0.383SS..PPolyproline II helixtrans-67.3150.3172.728.5-33.3000110.6I8 E9 L19P6-I8 VanDerWaalsContact C-N 3.29Å; P6-I8 PolarHBondContact O-N 2.86Å; P6-E9 WeakPolarHBondContact CD-OE2 3.16Å; P6-E9 HydrophobicContact CG-CB 3.96Å; P6-E9 HydrophobicContact CG-CG 3.96Å; P6-E9 VanDerWaalsContact CG-OE2 3.3Å; P6-E9 WeakPolarHBondContact CG-OE2 3.45Å; P6-L19 WeakPolarHBondContact O-CD1 3.41Å
7R98Very high93.8Very high148 Ų14869.2 Ų69.256%0.55836%0.361SS*.SBendtrans-61.4-35-178.1-72.8-176.2-179.3173.1-3113.6I18 L19R7-I18 CarbonylContact O-C 3.57Å; R7-I18 VanDerWaalsContact O-CA 3.28Å; R7-I18 WeakPolarHBondContact O-CA 3.35Å; R7-L19 PolarHBondContact O-N 3.12Å
8I98.8Very high94Very high31 Ų3165.3 Ų65.316%0.15934%0.341CS..EExtended strand (participates in β ladder)trans-132.4127.6178.4-55.8169.1000106.8P6 V16 R17 I18 S58 Q61 A62 F66P6-I8 VanDerWaalsContact C-N 3.29Å; P6-I8 PolarHBondContact O-N 2.86Å; I8-V16 HydrophobicContact CG2-CG1 4.17Å; I8-R17 WeakPolarHBondContact CA-O 3.44Å; I8-I18 HydrophobicContact CG1-CG2 4.5Å; I8-S58 WeakPolarHBondContact CD1-O 3.31Å; I8-Q61 HydrophobicContact CD1-CB 3.88Å; I8-Q61 HydrophobicContact CD1-CG 3.8Å; I8-A62 HydrophobicContact CD1-CB 4.24Å; I8-A62 HydrophobicContact CG2-CB 3.99Å; I8-F66 HydrophobicContact CG2-CE2 4.08Å
9E98.7Very high94.3Very high71 Ų7162.3 Ų62.333%0.33233%0.325SS..EExtended strand (participates in β ladder)trans-144.8129.8-179.6-158.5173.7176.500111P6 L11 V16 R17P6-E9 WeakPolarHBondContact CD-OE2 3.16Å; P6-E9 HydrophobicContact CG-CB 3.96Å; P6-E9 HydrophobicContact CG-CG 3.96Å; P6-E9 VanDerWaalsContact CG-OE2 3.3Å; P6-E9 WeakPolarHBondContact CG-OE2 3.45Å; E9-L11 HydrophobicContact CB-CD2 4.06Å; E9-L11 HydrophobicContact CG-CD2 3.85Å; E9-L11 PolarHBondContact O-N 3.12Å; E9-V16 CarbonylContact O-C 3.6Å; E9-V16 WeakPolarHBondContact O-CA 3.13Å; E9-R17 PolarHBondContact N-O 3.05Å; E9-R17 PolarHBondContact O-N 3.42Å; E9-R17 IonicContact OE2-CZ 3.46Å; E9-R17 IonicContact OE2-NH2 3.68Å; E9-R17 PolarHBondContact OE2-NH2 3.08Å
10Q98.8Very high94.5Very high109 Ų10959.2 Ų59.251%0.50931%0.309SS..EExtended strand (participates in β ladder)trans-82.1110.9166.9-176.11729.600108.6S12 V16 F66Q10-S12 WeakPolarHBondContact CG-O 3.2Å; Q10-S12 PolarHBondContact NE2-O 2.98Å; Q10-V16 HydrophobicContact CB-CG2 4.37Å; Q10-V16 HydrophobicContact CG-CG2 4.26Å; Q10-F66 HydrophobicContact CB-CE1 4.13Å; Q10-F66 HydrophobicContact CB-CZ 4.01Å; Q10-F66 HydrophobicContact CG-CE1 4.41Å
11L98.8Very high94.7Very high41 Ų4157.9 Ų57.922%0.21530%0.304CS..  trans-89-29.9-176.7-58.5-179.4000112E9 V15 R17 Y34 Y195 V201E9-L11 HydrophobicContact CB-CD2 4.06Å; E9-L11 HydrophobicContact CG-CD2 3.85Å; E9-L11 PolarHBondContact O-N 3.12Å; L11-V15 HydrophobicContact CB-CB 4.47Å; L11-V15 HydrophobicContact CB-CG1 4.41Å; L11-V15 HydrophobicContact CD1-CG1 4.25Å; L11-V15 PolarHBondContact N-O 3.09Å; L11-R17 HydrophobicContact CD1-CB 3.66Å; L11-R17 HydrophobicContact CG-CB 4.07Å; L11-Y34 HydrophobicContact CD1-CD1 4.4Å; L11-Y34 HydrophobicContact CD1-CE1 3.91Å; L11-Y195 HydrophobicContact CB-CE1 4.02Å; L11-Y195 HydrophobicContact CD1-CD1 3.78Å; L11-Y195 HydrophobicContact CD1-CE1 3.72Å; L11-V201 HydrophobicContact CD1-CG2 3.76Å; L11-V201 HydrophobicContact CD2-CG2 4.1Å; L11-V201 HydrophobicContact CG-CG2 4.48Å
12S98.8Very high96.6Very high26 Ų2646.6 Ų46.618%0.18225%0.249CC..SBendtrans-151.5-175.917676.90000111.3Q10 R14 V15 E156Q10-S12 WeakPolarHBondContact CG-O 3.2Å; Q10-S12 PolarHBondContact NE2-O 2.98Å; S12-R14 PolarHBondContact O-N 3.17Å; S12-R14 PolarHBondContact OG-N 3.22Å; S12-R14 VanDerWaalsContact OG-N 3.12Å; S12-V15 PolarHBondContact N-O 3.28Å; S12-V15 WeakPolarHBondContact OG-CB 3.48Å; S12-V15 PolarHBondContact OG-N 3.04Å; S12-E156 WeakPolarHBondContact CB-OE1 3.41Å; S12-E156 VanDerWaalsContact CB-OE2 3.25Å; S12-E156 WeakPolarHBondContact CB-OE2 3.48Å; S12-E156 PolarHBondContact OG-OE1 2.8Å; S12-E156 PolarHBondContact OG-OE2 2.88Å
13S98.3Very high97.6Very high73 Ų7347.8 Ų47.851%0.5126%0.255SS..SBendtrans-62.1-23.117148.60000113.3
14R98.8Very high98.1Very high61 Ų6147.2 Ų47.223%0.2325%0.253CS..SBendtrans-110.8-24.4-176.2-64.7171.7177.5735.6113.6S12 V36 G37 T38 G133 L153 E156S12-R14 PolarHBondContact O-N 3.17Å; S12-R14 PolarHBondContact OG-N 3.22Å; S12-R14 VanDerWaalsContact OG-N 3.12Å; R14-V36 CarbonylContact O-C 3.59Å; R14-V36 WeakPolarHBondContact O-CA 3.42Å; R14-G37 PolarHBondContact O-N 3.21Å; R14-T38 HydrophobicContact CG-CG2 3.94Å; R14-G133 WeakPolarHBondContact CD-O 3.43Å; R14-G133 PolarHBondContact NE-O 2.93Å; R14-L153 HydrophobicContact CB-CD2 4.41Å; R14-E156 WeakPolarHBondContact CB-OE1 3.34Å; R14-E156 WeakPolarHBondContact CD-OE1 3.44Å; R14-E156 WeakPolarHBondContact CG-OE1 3.47Å; R14-E156 IonicContact NH1-OE1 2.95Å; R14-E156 PolarHBondContact NH1-OE1 3.15Å
15V98.9Very high98.1Very high0 Ų045.6 Ų45.60%025%0.253CS..EExtended strand (participates in β ladder)trans-114.5122-169-174.60000110.9L11 S12 Y34 L153 F160 Y195L11-V15 HydrophobicContact CB-CB 4.47Å; L11-V15 HydrophobicContact CB-CG1 4.41Å; L11-V15 HydrophobicContact CD1-CG1 4.25Å; L11-V15 PolarHBondContact N-O 3.09Å; S12-V15 PolarHBondContact N-O 3.28Å; S12-V15 WeakPolarHBondContact OG-CB 3.48Å; S12-V15 PolarHBondContact OG-N 3.04Å; V15-Y34 HydrophobicContact CG1-CD1 3.71Å; V15-Y34 HydrophobicContact CG1-CE1 4.46Å; V15-Y34 HydrophobicContact CG1-CG 4.49Å; V15-L153 HydrophobicContact CG2-CD2 3.79Å; V15-F160 HydrophobicContact CG1-CE1 4.02Å; V15-F160 HydrophobicContact CG1-CZ 4.16Å; V15-F160 HydrophobicContact CG2-CZ 3.85Å; V15-Y195 HydrophobicContact CB-CE2 4.39Å; V15-Y195 HydrophobicContact CG1-CE1 4.35Å; V15-Y195 HydrophobicContact CG1-CE2 4.33Å; V15-Y195 HydrophobicContact CG2-CE2 3.85Å
16V98.9Very high98Very high0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-115.7127.2167.41780000107.9I8 E9 Q10 I18 Y34 L35 F66I8-V16 HydrophobicContact CG2-CG1 4.17Å; E9-V16 CarbonylContact O-C 3.6Å; E9-V16 WeakPolarHBondContact O-CA 3.13Å; Q10-V16 HydrophobicContact CB-CG2 4.37Å; Q10-V16 HydrophobicContact CG-CG2 4.26Å; V16-I18 HydrophobicContact CG1-CD1 4.07Å; V16-Y34 CarbonylContact O-C 3.3Å; V16-Y34 WeakPolarHBondContact O-CA 3.25Å; V16-L35 HydrophobicContact CB-CB 4.28Å; V16-L35 PolarHBondContact N-O 3.28Å; V16-L35 PolarHBondContact O-N 2.88Å; V16-F66 HydrophobicContact CB-CE2 4.29Å; V16-F66 HydrophobicContact CG1-CD2 3.97Å; V16-F66 HydrophobicContact CG1-CE2 3.45Å; V16-F66 VanDerWaalsContact CG1-CE2 3.45Å; V16-F66 HydrophobicContact CG1-CZ 4.01Å; V16-F66 HydrophobicContact CG2-CD1 4.19Å; V16-F66 HydrophobicContact CG2-CD2 3.97Å; V16-F66 HydrophobicContact CG2-CE1 4.02Å; V16-F66 HydrophobicContact CG2-CE2 3.83Å; V16-F66 HydrophobicContact CG2-CG 4.18Å; V16-F66 HydrophobicContact CG2-CZ 3.85Å
17R98.9Very high98Very high4 Ų447.4 Ų47.42%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-95.6138.5174.1-179.1-179.164.5180-1.9110.8I8 E9 L11 N32 T33 Y34 G199I8-R17 WeakPolarHBondContact CA-O 3.44Å; E9-R17 PolarHBondContact N-O 3.05Å; E9-R17 PolarHBondContact O-N 3.42Å; E9-R17 IonicContact OE2-CZ 3.46Å; E9-R17 IonicContact OE2-NH2 3.68Å; E9-R17 PolarHBondContact OE2-NH2 3.08Å; L11-R17 HydrophobicContact CD1-CB 3.66Å; L11-R17 HydrophobicContact CG-CB 4.07Å; R17-N32 WeakPolarHBondContact CD-OD1 3.24Å; R17-N32 HydrophobicContact CG-CB 4.14Å; R17-T33 CarbonylContact C-O 3.6Å; R17-T33 WeakPolarHBondContact CA-O 3.17Å; R17-Y34 HydrophobicContact CB-CD1 3.93Å; R17-Y34 HydrophobicContact CB-CE1 3.87Å; R17-Y34 HydrophobicContact CG-CD1 4.19Å; R17-Y34 HydrophobicContact CG-CE1 3.84Å; R17-G199 PolarHBondContact NH1-O 3.5Å
18I98.9Very high97.9Very high0 Ų042.7 Ų42.70%024%0.244CC..EExtended strand (participates in β ladder)trans-124.4124.8170.8-56.288.7000107.6R7 I8 V16 T33 L35 Y55 L59 A62R7-I18 CarbonylContact O-C 3.57Å; R7-I18 VanDerWaalsContact O-CA 3.28Å; R7-I18 WeakPolarHBondContact O-CA 3.35Å; I8-I18 HydrophobicContact CG1-CG2 4.5Å; V16-I18 HydrophobicContact CG1-CD1 4.07Å; I18-T33 PolarHBondContact N-O 3.14Å; I18-T33 PolarHBondContact O-N 3.17Å; I18-T33 PolarHBondContact O-OG1 3.36Å; I18-T33 VanDerWaalsContact O-OG1 3.14Å; I18-L35 HydrophobicContact CD1-CB 4.36Å; I18-L35 HydrophobicContact CD1-CD1 3.84Å; I18-L35 HydrophobicContact CD1-CG 3.85Å; I18-Y55 HydrophobicContact CB-CE2 4.39Å; I18-Y55 HydrophobicContact CG2-CD2 4.03Å; I18-Y55 HydrophobicContact CG2-CE2 3.86Å; I18-L59 HydrophobicContact CD1-CD1 4.31Å; I18-L59 HydrophobicContact CG1-CD1 4.5Å; I18-A62 HydrophobicContact CD1-CB 4.1Å; I18-A62 HydrophobicContact CG1-CB 3.74Å
19L98.8Very high97.9Very high8 Ų842.8 Ų42.84%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-75.8133.9175.2-68.5176.9000110.4L5 P6 R7 C21 T31 N32L5-L19 HydrophobicContact CB-CD1 3.78Å; L5-L19 HydrophobicContact CB-CD2 4.45Å; L5-L19 HydrophobicContact CD1-CD2 4.33Å; L5-L19 WeakPolarHBondContact O-CD1 3.35Å; P6-L19 WeakPolarHBondContact O-CD1 3.41Å; R7-L19 PolarHBondContact O-N 3.12Å; L19-C21 PolarHBondContact O-N 3.35Å; L19-C21 PolarHBondContact O-SG 2.93Å; L19-T31 CarbonylContact C-O 3.59Å; L19-T31 WeakPolarHBondContact CA-O 3.38Å; L19-N32 WeakPolarHBondContact CD2-OD1 3.21Å
20G98.6Very high97.8Very high0 Ų039.4 Ų39.40%023%0.227CC..  trans-62.7-517400000114.4N22 T31 V52 Y55G20-N22 WeakPolarHBondContact CA-OD1 3.15Å; G20-N22 PolarHBondContact O-N 3.34Å; G20-N22 PolarHBondContact O-OD1 2.8Å; G20-T31 PolarHBondContact N-O 2.7Å; G20-V52 WeakPolarHBondContact O-CG1 3.23Å; G20-Y55 WeakPolarHBondContact O-CB 3.49Å
21C98.3Very high97.9Very high31 Ų3134.2 Ų34.221%0.20920%0.203CC..SBendtrans57.528.4176.9-63.50000114L19 P23 V52 E54L19-C21 PolarHBondContact O-N 3.35Å; L19-C21 PolarHBondContact O-SG 2.93Å; C21-P23 VanDerWaalsContact C-CD 3.43Å; C21-P23 WeakPolarHBondContact O-CD 3.35Å; C21-V52 HydrophobicContact CB-CG1 4.12Å; C21-E54 HydrophobicContact CB-CB 3.93Å
22N98.2Very high97.9Very high9 Ų932.2 Ų32.25%0.04819%0.193CC..  trans-121.862.7-175.660.6-43.8000111.7G20 T27 G30 T31 E49G20-N22 WeakPolarHBondContact CA-OD1 3.15Å; G20-N22 PolarHBondContact O-N 3.34Å; G20-N22 PolarHBondContact O-OD1 2.8Å; N22-T27 WeakPolarHBondContact O-CB 3.22Å; N22-T27 PolarHBondContact O-OG1 2.94Å; N22-G30 WeakPolarHBondContact OD1-CA 3.25Å; N22-T31 PolarHBondContact ND2-OG1 2.98Å; N22-T31 PolarHBondContact OD1-N 3.06Å; N22-T31 PolarHBondContact OD1-OG1 2.64Å; N22-E49 HydrophobicContact CB-CB 4.23Å; N22-E49 HydrophobicContact CB-CG 4.19Å; N22-E49 WeakPolarHBondContact CB-OE1 3.47Å; N22-E49 WeakPolarHBondContact ND2-CG 3.35Å; N22-E49 PolarHBondContact ND2-OE1 2.84Å
23P97.8Very high97.9Very high96 Ų9631 Ų3162%0.62318%0.184SC*.  trans-68.5144.2-177.330.5-36000111.7C21 L28C21-P23 VanDerWaalsContact C-CD 3.43Å; C21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-L28 CarbonylContact C-O 3.52Å; P23-L28 VanDerWaalsContact CA-O 3.24Å; P23-L28 WeakPolarHBondContact CA-O 3.25Å; P23-L28 WeakPolarHBondContact CB-O 3.28Å
24G96.2Very high97.9Very high27 Ų2727.7 Ų27.728%0.27816%0.161SC..BIsolated β-bridgetrans-174173.3-17600000113.6M26 T27 L28G24-M26 PolarHBondContact O-N 3.03Å; G24-T27 WeakPolarHBondContact CA-OG1 3.2Å; G24-T27 PolarHBondContact N-OG1 3.33Å; G24-T27 PolarHBondContact O-N 3.29Å; G24-L28 PolarHBondContact N-O 3.06Å; G24-L28 WeakPolarHBondContact O-CA 3.39Å; G24-L28 PolarHBondContact O-N 3.08Å
25P93.3Very high97.9Very high134 Ų13424.8 Ų24.887%0.8715%0.15SC*.THydrogen-bonded Turntrans-59.6-30.7-179.9-24.734.7000114
26M94.4Very high97.9Very high118 Ų11824.8 Ų24.858%0.58115%0.15SC*.THydrogen-bonded Turntrans-95.8-35.2179.3-61.3-55.9-61.800112.3G24 V172G24-M26 PolarHBondContact O-N 3.03Å; M26-V172 HydrophobicContact CE-CG1 4.02Å; M26-V172 HydrophobicContact CE-CG2 3.73Å
27T97.1Very high97.9Very high9 Ų924.8 Ų24.86%0.05515%0.15CC..THydrogen-bonded Turntrans-93.4-1.7-174.454.30000113.7N22 G24 Q29 G30 D81 H198N22-T27 WeakPolarHBondContact O-CB 3.22Å; N22-T27 PolarHBondContact O-OG1 2.94Å; G24-T27 WeakPolarHBondContact CA-OG1 3.2Å; G24-T27 PolarHBondContact N-OG1 3.33Å; G24-T27 PolarHBondContact O-N 3.29Å; T27-Q29 PolarHBondContact O-N 3.37Å; T27-G30 CarbonylContact O-C 3.53Å; T27-G30 VanDerWaalsContact O-C 3.3Å; T27-G30 WeakPolarHBondContact O-CA 3.34Å; T27-G30 PolarHBondContact O-N 3.2Å; T27-G30 VanDerWaalsContact O-O 3.08Å; T27-D81 HydrophobicContact CG2-CB 3.98Å; T27-D81 WeakPolarHBondContact CG2-OD2 3.29Å; T27-H198 WeakPolarHBondContact CA-ND1 3.42Å; T27-H198 PolarHBondContact O-ND1 3.4Å; T27-H198 VanDerWaalsContact O-ND1 3.13Å
28L97Very high97.9Very high49 Ų4927.1 Ų27.126%0.25717%0.165SC..BIsolated β-bridgetrans55.2-117.4-176.8-52.5178.9000111.7P23 G24 G30 E168 H198P23-L28 CarbonylContact C-O 3.52Å; P23-L28 VanDerWaalsContact CA-O 3.24Å; P23-L28 WeakPolarHBondContact CA-O 3.25Å; P23-L28 WeakPolarHBondContact CB-O 3.28Å; G24-L28 PolarHBondContact N-O 3.06Å; G24-L28 WeakPolarHBondContact O-CA 3.39Å; G24-L28 PolarHBondContact O-N 3.08Å; L28-G30 PolarHBondContact O-N 2.96Å; L28-E168 HydrophobicContact CD1-CB 4.11Å; L28-H198 HydrophobicContact CB-CB 4.38Å; L28-H198 HydrophobicContact CD1-CB 3.94Å; L28-H198 HydrophobicContact CG-CB 4.15Å
29Q97.9Very high97.9Very high32 Ų3227.4 Ų27.415%0.1517%0.168CC..THydrogen-bonded Turntrans-75.2-11.6175.4-57.188.9-15.700113.2S2 A3 L5 T27 E168S2-Q29 PolarHBondContact OG-NE2 3.46Å; A3-Q29 PolarHBondContact O-NE2 3.44Å; L5-Q29 HydrophobicContact CD1-CB 4.12Å; L5-Q29 HydrophobicContact CD1-CG 4.13Å; L5-Q29 HydrophobicContact CG-CB 4.5Å; L5-Q29 HydrophobicContact CG-CG 4.21Å; T27-Q29 PolarHBondContact O-N 3.37Å; Q29-E168 PolarHBondContact NE2-OE1 3.5Å
30G98.3Very high97.8Very high0 Ų032.9 Ų32.90%019%0.191CC..  trans133.2168.9-175.300000111.5N22 T27 L28 N32 H198N22-G30 WeakPolarHBondContact OD1-CA 3.25Å; T27-G30 CarbonylContact O-C 3.53Å; T27-G30 VanDerWaalsContact O-C 3.3Å; T27-G30 WeakPolarHBondContact O-CA 3.34Å; T27-G30 PolarHBondContact O-N 3.2Å; T27-G30 VanDerWaalsContact O-O 3.08Å; L28-G30 PolarHBondContact O-N 2.96Å; G30-N32 PolarHBondContact O-N 2.9Å; G30-H198 PolarHBondContact O-ND1 2.94Å
31T98.9Very high97.8Very high0 Ų039 Ų390%021%0.214CC..BIsolated β-bridgetrans-64.8129.2172.4-46.10000109.7L19 G20 N22 T33 D46 D81L19-T31 CarbonylContact C-O 3.59Å; L19-T31 WeakPolarHBondContact CA-O 3.38Å; G20-T31 PolarHBondContact N-O 2.7Å; N22-T31 PolarHBondContact ND2-OG1 2.98Å; N22-T31 PolarHBondContact OD1-N 3.06Å; N22-T31 PolarHBondContact OD1-OG1 2.64Å; T31-T33 HydrophobicContact CG2-CG2 4.33Å; T31-T33 PolarHBondContact O-N 3.03Å; T31-D46 HydrophobicContact CG2-CB 4.49Å; T31-D81 WeakPolarHBondContact CB-O 3.43Å; T31-D81 WeakPolarHBondContact CG2-O 3.44Å; T31-D81 PolarHBondContact OG1-O 3.19Å
32N98.9Very high97.9Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-82.2109.5167.5-61.7-39.7000108.4R17 L19 G30 Y34 P196 G197 G199R17-N32 WeakPolarHBondContact CD-OD1 3.24Å; R17-N32 HydrophobicContact CG-CB 4.14Å; L19-N32 WeakPolarHBondContact CD2-OD1 3.21Å; G30-N32 PolarHBondContact O-N 2.9Å; N32-Y34 HydrophobicContact CB-CE1 4.34Å; N32-Y34 HydrophobicContact CB-CE2 3.65Å; N32-Y34 VanDerWaalsContact CB-OH 3.26Å; N32-Y34 WeakPolarHBondContact CB-OH 3.34Å; N32-Y34 PolarHBondContact ND2-OH 2.98Å; N32-Y34 VanDerWaalsContact O-CE2 3.29Å; N32-Y34 WeakPolarHBondContact O-CE2 3.28Å; N32-P196 WeakPolarHBondContact CB-O 3.39Å; N32-P196 PolarHBondContact ND2-O 3.45Å; N32-G197 WeakPolarHBondContact CB-O 3.37Å; N32-G197 PolarHBondContact N-O 2.84Å; N32-G199 PolarHBondContact ND2-N 3.42Å; N32-G199 PolarHBondContact ND2-O 3.41Å
33T98.9Very high97.9Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-97.6149.8167.479.40000109.5R17 I18 T31 I45 D46 Y55R17-T33 CarbonylContact C-O 3.6Å; R17-T33 WeakPolarHBondContact CA-O 3.17Å; I18-T33 PolarHBondContact N-O 3.14Å; I18-T33 PolarHBondContact O-N 3.17Å; I18-T33 PolarHBondContact O-OG1 3.36Å; I18-T33 VanDerWaalsContact O-OG1 3.14Å; T31-T33 HydrophobicContact CG2-CG2 4.33Å; T31-T33 PolarHBondContact O-N 3.03Å; T33-I45 VanDerWaalsContact CA-O 3.28Å; T33-I45 WeakPolarHBondContact CA-O 3.46Å; T33-I45 WeakPolarHBondContact CB-O 3.47Å; T33-D46 HydrophobicContact CG2-CB 4.44Å; T33-Y55 HydrophobicContact CG2-CE2 3.93Å; T33-Y55 WeakPolarHBondContact CG2-OH 3.47Å; T33-Y55 WeakPolarHBondContact OG1-CE2 3.48Å; T33-Y55 PolarHBondContact OG1-OH 2.73Å; T33-Y55 VanDerWaalsContact OG1-OH 3.11Å
34Y99Very high98Very high3 Ų333.4 Ų33.41%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-129.7124.5-171.5-58.6-85.1000112.1L11 V15 V16 R17 N32 L44 I45 F160 Y195 P196L11-Y34 HydrophobicContact CD1-CD1 4.4Å; L11-Y34 HydrophobicContact CD1-CE1 3.91Å; V15-Y34 HydrophobicContact CG1-CD1 3.71Å; V15-Y34 HydrophobicContact CG1-CE1 4.46Å; V15-Y34 HydrophobicContact CG1-CG 4.49Å; V16-Y34 CarbonylContact O-C 3.3Å; V16-Y34 WeakPolarHBondContact O-CA 3.25Å; R17-Y34 HydrophobicContact CB-CD1 3.93Å; R17-Y34 HydrophobicContact CB-CE1 3.87Å; R17-Y34 HydrophobicContact CG-CD1 4.19Å; R17-Y34 HydrophobicContact CG-CE1 3.84Å; N32-Y34 HydrophobicContact CB-CE1 4.34Å; N32-Y34 HydrophobicContact CB-CE2 3.65Å; N32-Y34 VanDerWaalsContact CB-OH 3.26Å; N32-Y34 WeakPolarHBondContact CB-OH 3.34Å; N32-Y34 PolarHBondContact ND2-OH 2.98Å; N32-Y34 VanDerWaalsContact O-CE2 3.29Å; N32-Y34 WeakPolarHBondContact O-CE2 3.28Å; Y34-L44 CarbonylContact O-C 3.58Å; Y34-L44 WeakPolarHBondContact O-CA 3.45Å; Y34-I45 PolarHBondContact N-O 2.77Å; Y34-I45 PolarHBondContact O-N 2.93Å; Y34-F160 HydrophobicContact CD1-CD1 4.34Å; Y34-F160 AromaticContact CD1-CE1 3.86Å; Y34-F160 HydrophobicContact CD1-CE1 3.86Å; Y34-F160 AromaticContact CD2-CD1 3.69Å; Y34-F160 HydrophobicContact CD2-CD1 3.69Å; Y34-F160 AromaticContact CD2-CE1 3.96Å; Y34-F160 HydrophobicContact CD2-CE1 3.96Å; Y34-F160 HydrophobicContact CE1-CE1 4.43Å; Y34-F160 HydrophobicContact CE2-CD1 4.07Å; Y34-F160 AromaticContact CG-CD1 3.83Å; Y34-F160 HydrophobicContact CG-CD1 3.83Å; Y34-F160 AromaticContact CG-CE1 3.58Å; Y34-F160 HydrophobicContact CG-CE1 3.58Å; Y34-Y195 HydrophobicContact CE1-CD1 4.2Å; Y34-Y195 HydrophobicContact CE1-CG 4.27Å; Y34-P196 PolarHBondContact OH-O 3.5Å
35L98.9Very high98.1Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-87.4119.6163.3-74173.1000109.2V16 I18 R42 V43 L44 L59 A62 L63V16-L35 HydrophobicContact CB-CB 4.28Å; V16-L35 PolarHBondContact N-O 3.28Å; V16-L35 PolarHBondContact O-N 2.88Å; I18-L35 HydrophobicContact CD1-CB 4.36Å; I18-L35 HydrophobicContact CD1-CD1 3.84Å; I18-L35 HydrophobicContact CD1-CG 3.85Å; L35-R42 HydrophobicContact CD2-CB 4.43Å; L35-V43 CarbonylContact C-O 3.55Å; L35-V43 WeakPolarHBondContact CA-O 3.3Å; L35-L44 HydrophobicContact CD2-CB 4.17Å; L35-L44 HydrophobicContact CD2-CD1 3.99Å; L35-L44 HydrophobicContact CG-CD1 4.25Å; L35-L59 HydrophobicContact CD1-CD1 4.2Å; L35-L59 HydrophobicContact CG-CD1 4.42Å; L35-A62 HydrophobicContact CD1-CB 4.34Å; L35-L63 HydrophobicContact CD1-CD2 3.76Å; L35-L63 HydrophobicContact CD1-CG 4.43Å; L35-L63 HydrophobicContact CD2-CD2 4.09Å
36V98.9Very high98.4Very high0 Ų025.9 Ų25.90%012%0.122CC..EExtended strand (participates in β ladder)trans-118.1130.8-174.9-171.40000111R14 R42 V43 I45 T131 A134 L136 L153 F160R14-V36 CarbonylContact O-C 3.59Å; R14-V36 WeakPolarHBondContact O-CA 3.42Å; V36-R42 CarbonylContact O-C 3.43Å; V36-R42 WeakPolarHBondContact O-CA 3.29Å; V36-R42 WeakPolarHBondContact O-CB 3.41Å; V36-V43 PolarHBondContact N-O 2.79Å; V36-V43 PolarHBondContact O-N 3.19Å; V36-I45 HydrophobicContact CG2-CD1 3.68Å; V36-I45 HydrophobicContact CG2-CG1 4.25Å; V36-T131 WeakPolarHBondContact O-CG2 3.33Å; V36-A134 HydrophobicContact CG1-CB 3.83Å; V36-L136 HydrophobicContact CB-CD1 4.47Å; V36-L136 HydrophobicContact CG1-CD1 4.37Å; V36-L136 HydrophobicContact CG1-CD2 4.29Å; V36-L153 HydrophobicContact CG1-CD1 4.18Å; V36-L153 HydrophobicContact CG1-CD2 4.4Å; V36-F160 HydrophobicContact CG1-CZ 4.46Å; V36-F160 HydrophobicContact CG2-CE1 4.09Å; V36-F160 HydrophobicContact CG2-CE2 4Å; V36-F160 HydrophobicContact CG2-CZ 3.48Å; V36-F160 VanDerWaalsContact CG2-CZ 3.48Å
37G98.9Very high98.6Very high0 Ų020.3 Ų20.30%09%0.094CC..  trans126.2171.4179.200000112.1R14 R42 E132R14-G37 PolarHBondContact O-N 3.21Å; G37-R42 VanDerWaalsContact O-CD 3.28Å; G37-R42 WeakPolarHBondContact O-CD 3.36Å; G37-R42 PolarHBondContact O-NE 2.9Å; G37-R42 VanDerWaalsContact O-NE 3.09Å; G37-R42 PolarHBondContact O-NH1 3.28Å; G37-E132 CarbonylContact C-O 3.55Å; G37-E132 WeakPolarHBondContact CA-O 3.37Å
38T98.8Very high98.6Very high54 Ų5419.9 Ų19.933%0.3319%0.091SC..SBendtrans-105.9-22.7-179.261.20000112.8R14 R42 E132R14-T38 HydrophobicContact CG-CG2 3.94Å; T38-R42 PolarHBondContact O-NH2 2.81Å; T38-R42 VanDerWaalsContact O-NH2 3.09Å; T38-E132 PolarHBondContact N-O 2.92Å; T38-E132 PolarHBondContact OG1-O 3.47Å; T38-E132 VanDerWaalsContact OG1-O 3.12Å
39G98.1Very high98.7Very high6 Ų621 Ų216%0.06210%0.095CC..SBendtrans-82.1-167.2-168.800000116.9R41 R42 T68 E132G39-R41 VanDerWaalsContact C-N 3.29Å; G39-R42 PolarHBondContact O-NE 3.28Å; G39-T68 PolarHBondContact O-OG1 2.83Å; G39-E132 WeakPolarHBondContact CA-OE1 3.31Å; G39-E132 WeakPolarHBondContact CA-OE2 3.48Å
40K98.4Very high98.7Very high122 Ų12222.6 Ų22.653%0.5311%0.109SC..SBendtrans-75.9-14.2177-65-58.9-177.1-170.50114.1N67 T68 A69K40-N67 VanDerWaalsContact CD-O 3.25Å; K40-N67 WeakPolarHBondContact CD-O 3.07Å; K40-N67 PolarHBondContact NZ-ND2 2.96Å; K40-N67 PolarHBondContact NZ-O 2.83Å; K40-T68 CarbonylContact O-C 3.58Å; K40-T68 WeakPolarHBondContact O-CA 3.4Å; K40-T68 PolarHBondContact O-OG1 2.76Å; K40-A69 PolarHBondContact O-N 2.9Å
41R98.4Very high98.6Very high129 Ų12926.3 Ų26.349%0.48714%0.139SC..EExtended strand (participates in β ladder)trans-131.1133.6170.9-60.5-171.970.6-144.80.1107.5G39 A69 I70 Q71 T131G39-R41 VanDerWaalsContact C-N 3.29Å; R41-A69 CarbonylContact C-O 3.59Å; R41-A69 VanDerWaalsContact CA-O 3.29Å; R41-A69 WeakPolarHBondContact CA-O 3.43Å; R41-I70 PolarHBondContact NH2-O 3.09Å; R41-I70 VanDerWaalsContact NH2-O 3.13Å; R41-Q71 HydrophobicContact CB-CB 4.07Å; R41-Q71 PolarHBondContact NH2-O 3.23Å; R41-T131 PolarHBondContact O-OG1 2.87Å
42R98.8Very high98.6Very high19 Ų1927.3 Ų27.37%0.07215%0.145CC..EExtended strand (participates in β ladder)trans-133.2147.7-175-71.8-177.2-163.3-161-4.3110.8L35 V36 G37 T38 G39 T68 A69 I70 Q71L35-R42 HydrophobicContact CD2-CB 4.43Å; V36-R42 CarbonylContact O-C 3.43Å; V36-R42 WeakPolarHBondContact O-CA 3.29Å; V36-R42 WeakPolarHBondContact O-CB 3.41Å; G37-R42 VanDerWaalsContact O-CD 3.28Å; G37-R42 WeakPolarHBondContact O-CD 3.36Å; G37-R42 PolarHBondContact O-NE 2.9Å; G37-R42 VanDerWaalsContact O-NE 3.09Å; G37-R42 PolarHBondContact O-NH1 3.28Å; T38-R42 PolarHBondContact O-NH2 2.81Å; T38-R42 VanDerWaalsContact O-NH2 3.09Å; G39-R42 PolarHBondContact O-NE 3.28Å; R42-T68 WeakPolarHBondContact CG-OG1 3.3Å; R42-A69 PolarHBondContact N-O 2.94Å; R42-I70 CarbonylContact O-C 3.56Å; R42-Q71 WeakPolarHBondContact O-CB 3.31Å; R42-Q71 PolarHBondContact O-N 3.1Å
43V98.9Very high98.6Very high0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-70.6136.2174.4174.10000108.9L35 V36 I45 E72 I74 I129 T131 L136L35-V43 CarbonylContact C-O 3.55Å; L35-V43 WeakPolarHBondContact CA-O 3.3Å; V36-V43 PolarHBondContact N-O 2.79Å; V36-V43 PolarHBondContact O-N 3.19Å; V43-I45 HydrophobicContact CG1-CG1 4.3Å; V43-E72 HydrophobicContact CG2-CG 4.18Å; V43-I74 HydrophobicContact CG1-CB 4.48Å; V43-I74 HydrophobicContact CG1-CG1 3.59Å; V43-I129 HydrophobicContact CG2-CG2 3.97Å; V43-T131 HydrophobicContact CG2-CG2 4.06Å; V43-L136 HydrophobicContact CB-CD1 4.23Å; V43-L136 HydrophobicContact CG1-CD1 3.95Å; V43-L136 HydrophobicContact CG2-CD1 4.46Å
44L98.9Very high98.5Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-102.6122.3169.7178.964.4000109.3Y34 L35 L59 I70 E72 I73 I74 I89Y34-L44 CarbonylContact O-C 3.58Å; Y34-L44 WeakPolarHBondContact O-CA 3.45Å; L35-L44 HydrophobicContact CD2-CB 4.17Å; L35-L44 HydrophobicContact CD2-CD1 3.99Å; L35-L44 HydrophobicContact CG-CD1 4.25Å; L44-L59 HydrophobicContact CD1-CD1 4.38Å; L44-L59 HydrophobicContact CD2-CD2 3.93Å; L44-I70 HydrophobicContact CB-CG2 4.09Å; L44-I70 HydrophobicContact CD2-CD1 4.01Å; L44-E72 PolarHBondContact N-O 2.81Å; L44-I73 HydrophobicContact CB-CG1 4.38Å; L44-I73 HydrophobicContact CD2-CG1 4.31Å; L44-I73 CarbonylContact O-C 3.39Å; L44-I73 VanDerWaalsContact O-CA 3.31Å; L44-I73 WeakPolarHBondContact O-CA 3.38Å; L44-I74 PolarHBondContact O-N 2.81Å; L44-I89 HydrophobicContact CD2-CD1 3.72Å
45I98.9Very high98.5Very high1 Ų135.9 Ų35.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-98.7123.9174.1-55172.4000108.6T33 Y34 V36 V43 I74 T76 L136 L151 F160T33-I45 VanDerWaalsContact CA-O 3.28Å; T33-I45 WeakPolarHBondContact CA-O 3.46Å; T33-I45 WeakPolarHBondContact CB-O 3.47Å; Y34-I45 PolarHBondContact N-O 2.77Å; Y34-I45 PolarHBondContact O-N 2.93Å; V36-I45 HydrophobicContact CG2-CD1 3.68Å; V36-I45 HydrophobicContact CG2-CG1 4.25Å; V43-I45 HydrophobicContact CG1-CG1 4.3Å; I45-I74 CarbonylContact C-O 3.12Å; I45-I74 WeakPolarHBondContact CA-O 3.28Å; I45-T76 HydrophobicContact CG2-CG2 4.08Å; I45-L136 HydrophobicContact CD1-CD1 4.28Å; I45-L151 HydrophobicContact CD1-CD1 3.71Å; I45-L151 HydrophobicContact CG1-CD1 4.02Å; I45-L151 HydrophobicContact CG2-CD1 4.13Å; I45-F160 HydrophobicContact CD1-CB 4.15Å; I45-F160 HydrophobicContact CD1-CD1 3.73Å; I45-F160 HydrophobicContact CD1-CD2 3.53Å; I45-F160 HydrophobicContact CD1-CE1 3.97Å; I45-F160 HydrophobicContact CD1-CE2 3.75Å; I45-F160 HydrophobicContact CD1-CG 3.51Å; I45-F160 HydrophobicContact CD1-CZ 3.98Å
46D98.9Very high98.5Very high2 Ų236.5 Ų36.51%0.01120%0.196CC..  trans58.1166.7-175.6-65-28.7000115.2T31 T33 I74 V75 T76 H82T31-D46 HydrophobicContact CG2-CB 4.49Å; T33-D46 HydrophobicContact CG2-CB 4.44Å; D46-I74 PolarHBondContact N-O 3.01Å; D46-V75 WeakPolarHBondContact OD1-CA 3.37Å; D46-T76 PolarHBondContact OD1-N 2.61Å; D46-T76 PolarHBondContact OD1-OG1 2.89Å; D46-T76 VanDerWaalsContact OD2-CG2 3.25Å; D46-T76 WeakPolarHBondContact OD2-CG2 3.19Å; D46-T76 PolarHBondContact OD2-OG1 3.4Å; D46-H82 HydrophobicContact CB-CB 4.29Å; D46-H82 VanDerWaalsContact CG-ND1 3.28Å; D46-H82 IonicContact OD1-ND1 3.34Å; D46-H82 IonicContact OD2-CE1 3.26Å; D46-H82 IonicContact OD2-CG 2.69Å; D46-H82 IonicContact OD2-ND1 2.7Å; D46-H82 PolarHBondContact OD2-ND1 3.32Å
47T98.8Very high98.5Very high0 Ų039.7 Ų39.70%022%0.218CC..  trans-135.52.2-167.663.90000115.9Y55 I73 H82 T83 G85 V86 I89T47-Y55 WeakPolarHBondContact O-CE1 3.22Å; T47-I73 HydrophobicContact CG2-CD1 4.17Å; T47-I73 HydrophobicContact CG2-CG2 3.53Å; T47-H82 PolarHBondContact N-O 3.27Å; T47-H82 PolarHBondContact OG1-O 3.21Å; T47-T83 PolarHBondContact OG1-O 2.65Å; T47-G85 WeakPolarHBondContact O-CA 3.38Å; T47-G85 PolarHBondContact OG1-N 3.33Å; T47-V86 HydrophobicContact CG2-CB 4.49Å; T47-V86 HydrophobicContact CG2-CG2 3.61Å; T47-V86 PolarHBondContact OG1-N 2.97Å; T47-I89 HydrophobicContact CG2-CD1 3.57Å
48G98.5Very high98.5Very high0 Ų039.9 Ų39.90%022%0.219CC..  trans71.7-169.8-17700000112.9D81 G84 G85G48-D81 CarbonylContact C-O 3.57Å; G48-D81 WeakPolarHBondContact CA-O 3.26Å; G48-D81 PolarHBondContact N-O 3.44Å; G48-D81 CarbonylContact O-C 3.33Å; G48-G84 WeakPolarHBondContact O-CA 3.22Å; G48-G84 PolarHBondContact O-N 2.94Å; G48-G84 VanDerWaalsContact O-N 3.12Å; G48-G85 PolarHBondContact O-N 2.85Å; G48-G85 VanDerWaalsContact O-N 3.11Å
49E98.4Very high98.5Very high72 Ų7237.3 Ų37.334%0.33620%0.204SC..SBendtrans-75.9157176.9-87175.5-137.700113.3N22 V52 D81N22-E49 HydrophobicContact CB-CB 4.23Å; N22-E49 HydrophobicContact CB-CG 4.19Å; N22-E49 WeakPolarHBondContact CB-OE1 3.47Å; N22-E49 WeakPolarHBondContact ND2-CG 3.35Å; N22-E49 PolarHBondContact ND2-OE1 2.84Å; E49-V52 HydrophobicContact CB-CG2 3.76Å; E49-D81 HydrophobicContact CG-CB 3.8Å
50P97.2Very high98.5Very high67 Ų6741.2 Ų41.244%0.43522%0.22SC..THydrogen-bonded Turntrans-6914717531-33.3000110.9V52P50-V52 PolarHBondContact O-N 2.91Å
51A97.1Very high98.6Very high77 Ų7740.9 Ų40.964%0.63622%0.221SC*.THydrogen-bonded Turntrans57.145.3173.200000114.7P53 D88A51-P53 WeakPolarHBondContact O-CD 3.43Å; A51-D88 PolarHBondContact N-OD2 2.89Å
52V98.6Very high98.6Very high21 Ų2134.8 Ų34.813%0.12720%0.198CC..  trans-108.391.8171.3-1730000110.7G20 C21 E49 P50 E54 Y55 I56G20-V52 WeakPolarHBondContact O-CG1 3.23Å; C21-V52 HydrophobicContact CB-CG1 4.12Å; E49-V52 HydrophobicContact CB-CG2 3.76Å; P50-V52 PolarHBondContact O-N 2.91Å; V52-E54 VanDerWaalsContact C-N 3.27Å; V52-E54 PolarHBondContact O-N 3.41Å; V52-Y55 WeakPolarHBondContact O-CB 3.38Å; V52-Y55 PolarHBondContact O-N 3.03Å; V52-Y55 VanDerWaalsContact O-N 3.15Å; V52-I56 PolarHBondContact O-N 3.22Å
53P98.4Very high98.6Very high84 Ų8434.7 Ų34.755%0.54520%0.199SC..Hα-helixtrans-62.3-30.3-175.7-23.534.8000114.2A51 Y55 I56 S57A51-P53 WeakPolarHBondContact O-CD 3.43Å; P53-Y55 VanDerWaalsContact C-N 3.29Å; P53-Y55 PolarHBondContact O-N 3.45Å; P53-I56 PolarHBondContact O-N 3.43Å; P53-S57 PolarHBondContact O-N 2.97Å; P53-S57 PolarHBondContact O-OG 3.38Å
54E98.6Very high98.5Very high98 Ų9839.4 Ų39.446%0.45823%0.231SC..Hα-helixtrans-64.1-35.3177.3-68.180.7178.700111.9C21 V52 S58C21-E54 HydrophobicContact CB-CB 3.93Å; V52-E54 VanDerWaalsContact C-N 3.27Å; V52-E54 PolarHBondContact O-N 3.41Å; E54-S58 WeakPolarHBondContact O-CB 3.39Å; E54-S58 PolarHBondContact O-N 3.33Å; E54-S58 PolarHBondContact O-OG 3.16Å
55Y98.8Very high98.5Very high2 Ų245 Ų451%0.00826%0.257CS..Hα-helixtrans-68.4-47.2174.8169.9-118.6000111.1I18 G20 T33 T47 V52 P53 S57 S58 L59 I89I18-Y55 HydrophobicContact CB-CE2 4.39Å; I18-Y55 HydrophobicContact CG2-CD2 4.03Å; I18-Y55 HydrophobicContact CG2-CE2 3.86Å; G20-Y55 WeakPolarHBondContact O-CB 3.49Å; T33-Y55 HydrophobicContact CG2-CE2 3.93Å; T33-Y55 WeakPolarHBondContact CG2-OH 3.47Å; T33-Y55 WeakPolarHBondContact OG1-CE2 3.48Å; T33-Y55 PolarHBondContact OG1-OH 2.73Å; T33-Y55 VanDerWaalsContact OG1-OH 3.11Å; T47-Y55 WeakPolarHBondContact O-CE1 3.22Å; V52-Y55 WeakPolarHBondContact O-CB 3.38Å; V52-Y55 PolarHBondContact O-N 3.03Å; V52-Y55 VanDerWaalsContact O-N 3.15Å; P53-Y55 VanDerWaalsContact C-N 3.29Å; P53-Y55 PolarHBondContact O-N 3.45Å; Y55-S57 VanDerWaalsContact C-N 3.27Å; Y55-S57 PolarHBondContact O-N 2.9Å; Y55-S58 CarbonylContact O-C 3.55Å; Y55-S58 PolarHBondContact O-N 3.17Å; Y55-L59 HydrophobicContact CE1-CD2 4.31Å; Y55-L59 HydrophobicContact CE2-CB 4.35Å; Y55-L59 WeakPolarHBondContact O-CB 3.42Å; Y55-L59 PolarHBondContact O-N 2.98Å; Y55-I89 HydrophobicContact CE1-CD1 4.04Å; Y55-I89 HydrophobicContact CE1-CG1 4.29Å
56I98.7Very high98.5Very high12 Ų1246.6 Ų46.66%0.06227%0.265CS..Hα-helixtrans-57.7-43.7176.7-61-57.2000110.8V52 P53 S58 L59 Q60 D88 I89 D92 I93V52-I56 PolarHBondContact O-N 3.22Å; P53-I56 PolarHBondContact O-N 3.43Å; I56-S58 VanDerWaalsContact C-N 3.35Å; I56-S58 PolarHBondContact O-N 3.33Å; I56-L59 PolarHBondContact O-N 2.82Å; I56-Q60 HydrophobicContact CG2-CG 4.47Å; I56-Q60 WeakPolarHBondContact O-CB 3.29Å; I56-Q60 VanDerWaalsContact O-CG 3.31Å; I56-Q60 WeakPolarHBondContact O-CG 3.21Å; I56-Q60 PolarHBondContact O-N 2.9Å; I56-D88 HydrophobicContact CD1-CB 3.8Å; I56-D88 HydrophobicContact CG1-CB 4.16Å; I56-I89 HydrophobicContact CD1-CG1 3.98Å; I56-D92 HydrophobicContact CG2-CB 3.74Å; I56-I93 HydrophobicContact CD1-CD1 4.39Å; I56-I93 HydrophobicContact CG2-CD1 4.41Å; I56-I93 HydrophobicContact CG2-CG1 4.21Å
57S98.6Very high98.5Very high68 Ų6851.7 Ų51.748%0.47629%0.292SS..Hα-helixtrans-60.6-43.4175.3-56.50000112P53 Y55 Q61P53-S57 PolarHBondContact O-N 2.97Å; P53-S57 PolarHBondContact O-OG 3.38Å; Y55-S57 VanDerWaalsContact C-N 3.27Å; Y55-S57 PolarHBondContact O-N 2.9Å; S57-Q61 WeakPolarHBondContact O-CB 3.46Å; S57-Q61 PolarHBondContact O-N 2.86Å
58S98.8Very high98.5Very high4 Ų452.4 Ų52.43%0.02830%0.296CS..Hα-helixtrans-68.2-39.4179.1-57.60000112.1I8 E54 Y55 I56 Q61 A62I8-S58 WeakPolarHBondContact CD1-O 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.39Å; E54-S58 PolarHBondContact O-N 3.33Å; E54-S58 PolarHBondContact O-OG 3.16Å; Y55-S58 CarbonylContact O-C 3.55Å; Y55-S58 PolarHBondContact O-N 3.17Å; I56-S58 VanDerWaalsContact C-N 3.35Å; I56-S58 PolarHBondContact O-N 3.33Å; S58-Q61 PolarHBondContact O-N 3.5Å; S58-A62 WeakPolarHBondContact O-CB 3.34Å; S58-A62 PolarHBondContact O-N 3.15Å
59L98.8Very high98.4Very high0 Ų054.6 Ų54.60%031%0.314CS..Hα-helixtrans-68.2-44.1176.9-178.356.1000111.3I18 L35 L44 Y55 I56 Q61 A62 L63 I70 I89 I93I18-L59 HydrophobicContact CD1-CD1 4.31Å; I18-L59 HydrophobicContact CG1-CD1 4.5Å; L35-L59 HydrophobicContact CD1-CD1 4.2Å; L35-L59 HydrophobicContact CG-CD1 4.42Å; L44-L59 HydrophobicContact CD1-CD1 4.38Å; L44-L59 HydrophobicContact CD2-CD2 3.93Å; Y55-L59 HydrophobicContact CE1-CD2 4.31Å; Y55-L59 HydrophobicContact CE2-CB 4.35Å; Y55-L59 WeakPolarHBondContact O-CB 3.42Å; Y55-L59 PolarHBondContact O-N 2.98Å; I56-L59 PolarHBondContact O-N 2.82Å; L59-Q61 VanDerWaalsContact C-N 3.32Å; L59-Q61 PolarHBondContact O-N 2.86Å; L59-A62 PolarHBondContact O-N 2.85Å; L59-L63 HydrophobicContact CD1-CD1 4.43Å; L59-L63 HydrophobicContact CD1-CG 4.26Å; L59-L63 HydrophobicContact CG-CD1 4.26Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.44Å; L59-I70 HydrophobicContact CD2-CD1 4.36Å; L59-I89 HydrophobicContact CD2-CD1 4.07Å; L59-I89 HydrophobicContact CD2-CG1 3.95Å; L59-I93 HydrophobicContact CB-CD1 3.92Å; L59-I93 HydrophobicContact CD2-CD1 3.32Å; L59-I93 HydrophobicContact CG-CD1 3.53Å
60Q98.7Very high98.5Very high88 Ų8851.6 Ų51.641%0.41130%0.3SS..Hα-helixtrans-58.5-43.7172.7-74.6175.8-17.200111.7I56 L63 S64 D92 I93I56-Q60 HydrophobicContact CG2-CG 4.47Å; I56-Q60 WeakPolarHBondContact O-CB 3.29Å; I56-Q60 VanDerWaalsContact O-CG 3.31Å; I56-Q60 WeakPolarHBondContact O-CG 3.21Å; I56-Q60 PolarHBondContact O-N 2.9Å; Q60-L63 PolarHBondContact O-N 2.99Å; Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 3.21Å; Q60-D92 PolarHBondContact NE2-O 2.76Å; Q60-I93 HydrophobicContact CG-CD1 4.22Å; Q60-I93 HydrophobicContact CG-CG1 3.98Å
61Q98.8Very high98.5Very high115 Ų11550.3 Ų50.354%0.53729%0.289SS..Hα-helixtrans-60.5-45.8175.2-179.3-179.4-0.200111.5I8 S57 S58 L59 S64 Q65I8-Q61 HydrophobicContact CD1-CB 3.88Å; I8-Q61 HydrophobicContact CD1-CG 3.8Å; S57-Q61 WeakPolarHBondContact O-CB 3.46Å; S57-Q61 PolarHBondContact O-N 2.86Å; S58-Q61 PolarHBondContact O-N 3.5Å; L59-Q61 VanDerWaalsContact C-N 3.32Å; L59-Q61 PolarHBondContact O-N 2.86Å; Q61-S64 PolarHBondContact O-N 2.8Å; Q61-Q65 VanDerWaalsContact O-CB 3.24Å; Q61-Q65 WeakPolarHBondContact O-CB 3.45Å; Q61-Q65 PolarHBondContact O-N 2.75Å
62A98.8Very high98.6Very high0 Ų047.7 Ų47.70%026%0.263CS..Hα-helixtrans-62.2-48.1178.200000111.6I8 I18 L35 S58 L59 S64 Q65 F66I8-A62 HydrophobicContact CD1-CB 4.24Å; I8-A62 HydrophobicContact CG2-CB 3.99Å; I18-A62 HydrophobicContact CD1-CB 4.1Å; I18-A62 HydrophobicContact CG1-CB 3.74Å; L35-A62 HydrophobicContact CD1-CB 4.34Å; S58-A62 WeakPolarHBondContact O-CB 3.34Å; S58-A62 PolarHBondContact O-N 3.15Å; L59-A62 PolarHBondContact O-N 2.85Å; A62-S64 VanDerWaalsContact C-N 3.28Å; A62-S64 PolarHBondContact O-N 3.45Å; A62-Q65 PolarHBondContact O-N 2.92Å; A62-F66 HydrophobicContact CB-CD2 4.4Å; A62-F66 WeakPolarHBondContact O-CD2 3.35Å; A62-F66 PolarHBondContact O-N 2.72Å
63L98.8Very high98.6Very high18 Ų1846.7 Ų46.79%0.09426%0.257CS..Hα-helixtrans-57.3-42.2177.9-68.5173.4000111.8L35 L59 Q60 N67 T68 I70 I93L35-L63 HydrophobicContact CD1-CD2 3.76Å; L35-L63 HydrophobicContact CD1-CG 4.43Å; L35-L63 HydrophobicContact CD2-CD2 4.09Å; L59-L63 HydrophobicContact CD1-CD1 4.43Å; L59-L63 HydrophobicContact CD1-CG 4.26Å; L59-L63 HydrophobicContact CG-CD1 4.26Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.44Å; Q60-L63 PolarHBondContact O-N 2.99Å; L63-N67 WeakPolarHBondContact O-CA 3.37Å; L63-N67 PolarHBondContact O-N 3.16Å; L63-T68 WeakPolarHBondContact CB-O 3.32Å; L63-T68 HydrophobicContact CD2-CG2 3.92Å; L63-T68 PolarHBondContact O-N 3.46Å; L63-I70 HydrophobicContact CD1-CD1 4.34Å; L63-I70 HydrophobicContact CD1-CG1 4.19Å; L63-I70 HydrophobicContact CD2-CG1 4.11Å; L63-I93 HydrophobicContact CD1-CG2 3.45Å; L63-I93 VanDerWaalsContact CD1-CG2 3.45Å
64S98.6Very high98.6Very high98 Ų9842.7 Ų42.769%0.68523%0.231SC*.Hα-helixtrans-67.1-50.4175.3-176.10000112.5Q60 Q61 A62 F66 N67Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 3.21Å; Q61-S64 PolarHBondContact O-N 2.8Å; A62-S64 VanDerWaalsContact C-N 3.28Å; A62-S64 PolarHBondContact O-N 3.45Å; S64-F66 VanDerWaalsContact C-N 3.31Å; S64-F66 PolarHBondContact O-N 2.87Å; S64-N67 PolarHBondContact O-N 2.97Å; S64-N67 VanDerWaalsContact O-N 3.08Å
65Q98.4Very high98.6Very high118 Ų11838 Ų3855%0.55121%0.209SC*.Hα-helixtrans-58.7-41.1-178.3177.1177.5-27.400112.2Q61 A62Q61-Q65 VanDerWaalsContact O-CB 3.24Å; Q61-Q65 WeakPolarHBondContact O-CB 3.45Å; Q61-Q65 PolarHBondContact O-N 2.75Å; A62-Q65 PolarHBondContact O-N 2.92Å
66F98.3Very high98.6Very high35 Ų3538 Ų3815%0.15421%0.209CC..THydrogen-bonded Turntrans-93.64.4179.9-62.3-72.9000113.2I8 Q10 V16 A62 S64 T68I8-F66 HydrophobicContact CG2-CE2 4.08Å; Q10-F66 HydrophobicContact CB-CE1 4.13Å; Q10-F66 HydrophobicContact CB-CZ 4.01Å; Q10-F66 HydrophobicContact CG-CE1 4.41Å; V16-F66 HydrophobicContact CB-CE2 4.29Å; V16-F66 HydrophobicContact CG1-CD2 3.97Å; V16-F66 HydrophobicContact CG1-CE2 3.45Å; V16-F66 VanDerWaalsContact CG1-CE2 3.45Å; V16-F66 HydrophobicContact CG1-CZ 4.01Å; V16-F66 HydrophobicContact CG2-CD1 4.19Å; V16-F66 HydrophobicContact CG2-CD2 3.97Å; V16-F66 HydrophobicContact CG2-CE1 4.02Å; V16-F66 HydrophobicContact CG2-CE2 3.83Å; V16-F66 HydrophobicContact CG2-CG 4.18Å; V16-F66 HydrophobicContact CG2-CZ 3.85Å; A62-F66 HydrophobicContact CB-CD2 4.4Å; A62-F66 WeakPolarHBondContact O-CD2 3.35Å; A62-F66 PolarHBondContact O-N 2.72Å; S64-F66 VanDerWaalsContact C-N 3.31Å; S64-F66 PolarHBondContact O-N 2.87Å; F66-T68 VanDerWaalsContact C-N 3.35Å; F66-T68 HydrophobicContact CB-CG2 4.17Å; F66-T68 PolarHBondContact O-N 3.13Å
67N98.3Very high98.7Very high108 Ų10837.4 Ų37.458%0.57821%0.206SC*.THydrogen-bonded Turntrans47.953.5177.7-169.38.7000112.7K40 L63 S64K40-N67 VanDerWaalsContact CD-O 3.25Å; K40-N67 WeakPolarHBondContact CD-O 3.07Å; K40-N67 PolarHBondContact NZ-ND2 2.96Å; K40-N67 PolarHBondContact NZ-O 2.83Å; L63-N67 WeakPolarHBondContact O-CA 3.37Å; L63-N67 PolarHBondContact O-N 3.16Å; S64-N67 PolarHBondContact O-N 2.97Å; S64-N67 VanDerWaalsContact O-N 3.08Å
68T98.6Very high98.6Very high15 Ų1537.4 Ų37.49%0.09220%0.196CC..  trans-137.5162.8-176.7-1720000111.3G39 K40 R42 L63 F66G39-T68 PolarHBondContact O-OG1 2.83Å; K40-T68 CarbonylContact O-C 3.58Å; K40-T68 WeakPolarHBondContact O-CA 3.4Å; K40-T68 PolarHBondContact O-OG1 2.76Å; R42-T68 WeakPolarHBondContact CG-OG1 3.3Å; L63-T68 WeakPolarHBondContact CB-O 3.32Å; L63-T68 HydrophobicContact CD2-CG2 3.92Å; L63-T68 PolarHBondContact O-N 3.46Å; F66-T68 VanDerWaalsContact C-N 3.35Å; F66-T68 HydrophobicContact CB-CG2 4.17Å; F66-T68 PolarHBondContact O-N 3.13Å
69A98.4Very high98.6Very high46 Ų4639.3 Ų39.338%0.3820%0.204SC..EExtended strand (participates in β ladder)trans-121.7173170.700000110.8K40 R41 R42K40-A69 PolarHBondContact O-N 2.9Å; R41-A69 CarbonylContact C-O 3.59Å; R41-A69 VanDerWaalsContact CA-O 3.29Å; R41-A69 WeakPolarHBondContact CA-O 3.43Å; R42-A69 PolarHBondContact N-O 2.94Å
70I98.7Very high98.5Very high9 Ų945.3 Ų45.35%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-81.1129.3176.2-55.8172.4000109.6R41 R42 L44 L59 L63 I73 I89 I93 L99R41-I70 PolarHBondContact NH2-O 3.09Å; R41-I70 VanDerWaalsContact NH2-O 3.13Å; R42-I70 CarbonylContact O-C 3.56Å; L44-I70 HydrophobicContact CB-CG2 4.09Å; L44-I70 HydrophobicContact CD2-CD1 4.01Å; L59-I70 HydrophobicContact CD2-CD1 4.36Å; L63-I70 HydrophobicContact CD1-CD1 4.34Å; L63-I70 HydrophobicContact CD1-CG1 4.19Å; L63-I70 HydrophobicContact CD2-CG1 4.11Å; I70-I73 HydrophobicContact CG2-CG1 4.23Å; I70-I89 HydrophobicContact CD1-CG2 3.66Å; I70-I93 HydrophobicContact CD1-CG2 4.15Å; I70-L99 HydrophobicContact CG2-CD1 4.12Å; I70-L99 HydrophobicContact CG2-CD2 4.15Å
71Q98.6Very high98.5Very high41 Ų4142.3 Ų42.319%0.19222%0.219CC..EExtended strand (participates in β ladder)trans-77.4-58.7172.2179.9175.5-62.900110.4R41 R42 E130 T131R41-Q71 HydrophobicContact CB-CB 4.07Å; R41-Q71 PolarHBondContact NH2-O 3.23Å; R42-Q71 WeakPolarHBondContact O-CB 3.31Å; R42-Q71 PolarHBondContact O-N 3.1Å; Q71-E130 PolarHBondContact NE2-O 3.13Å; Q71-T131 VanDerWaalsContact OE1-CB 3.3Å; Q71-T131 PolarHBondContact OE1-OG1 3.19Å
72E98.5Very high98.5Very high21 Ų2136.8 Ų36.810%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-159.1165.6178.465.4-170.3109.400108.4V43 L44 I74 Q100V43-E72 HydrophobicContact CG2-CG 4.18Å; L44-E72 PolarHBondContact N-O 2.81Å; E72-I74 HydrophobicContact CG-CD1 4.14Å; E72-Q100 HydrophobicContact CB-CB 4.06Å; E72-Q100 HydrophobicContact CB-CG 4.44Å; E72-Q100 PolarHBondContact OE2-NE2 2.86Å
73I98.8Very high98.5Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-106.1132.2174.5-60.3175.9000108.4L44 T47 I70 V75 V86 I89 L99 Q100 V101 S102L44-I73 HydrophobicContact CB-CG1 4.38Å; L44-I73 HydrophobicContact CD2-CG1 4.31Å; L44-I73 CarbonylContact O-C 3.39Å; L44-I73 VanDerWaalsContact O-CA 3.31Å; L44-I73 WeakPolarHBondContact O-CA 3.38Å; T47-I73 HydrophobicContact CG2-CD1 4.17Å; T47-I73 HydrophobicContact CG2-CG2 3.53Å; I70-I73 HydrophobicContact CG2-CG1 4.23Å; I73-V75 HydrophobicContact CG2-CG2 4.01Å; I73-V86 HydrophobicContact CD1-CG1 4.49Å; I73-I89 HydrophobicContact CD1-CB 4.47Å; I73-I89 HydrophobicContact CD1-CD1 4.25Å; I73-I89 HydrophobicContact CD1-CG2 4.03Å; I73-L99 HydrophobicContact CD1-CD2 3.58Å; I73-L99 HydrophobicContact CG1-CD2 3.76Å; I73-Q100 PolarHBondContact N-O 3.5Å; I73-V101 HydrophobicContact CB-CB 4.49Å; I73-V101 HydrophobicContact CB-CG1 4.17Å; I73-V101 HydrophobicContact CB-CG2 4.21Å; I73-V101 HydrophobicContact CD1-CG2 4.32Å; I73-V101 HydrophobicContact CG2-CG1 4.12Å; I73-V101 CarbonylContact O-C 3.57Å; I73-V101 WeakPolarHBondContact O-CA 3.34Å; I73-S102 PolarHBondContact O-N 3.05Å
74I98.9Very high98.5Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-111.8126.6168.6-49.9-60.6000107.8V43 L44 I45 D46 E72 S102 L123 I129 M149 L151V43-I74 HydrophobicContact CG1-CB 4.48Å; V43-I74 HydrophobicContact CG1-CG1 3.59Å; L44-I74 PolarHBondContact O-N 2.81Å; I45-I74 CarbonylContact C-O 3.12Å; I45-I74 WeakPolarHBondContact CA-O 3.28Å; D46-I74 PolarHBondContact N-O 3.01Å; E72-I74 HydrophobicContact CG-CD1 4.14Å; I74-S102 WeakPolarHBondContact CA-O 3.45Å; I74-L123 HydrophobicContact CD1-CD1 4.29Å; I74-L123 HydrophobicContact CG2-CD1 4.47Å; I74-I129 HydrophobicContact CD1-CD1 4Å; I74-I129 HydrophobicContact CD1-CG1 4.17Å; I74-I129 HydrophobicContact CD1-CG2 4.41Å; I74-I129 HydrophobicContact CG1-CD1 4.32Å; I74-M149 HydrophobicContact CG2-CE 4.31Å; I74-M149 HydrophobicContact CG2-SD 3.86Å; I74-L151 HydrophobicContact CB-CD1 4.46Å; I74-L151 HydrophobicContact CG2-CD1 3.89Å; I74-L151 HydrophobicContact CG2-CD2 4.45Å
75V98.8Very high98.4Very high0 Ų032.6 Ų32.60%017%0.166CC..  trans-106.2133.2176.2-177.90000109.7D46 I73 H77 H82 T83 V86 V101 S102 K103 Y120D46-V75 WeakPolarHBondContact OD1-CA 3.37Å; I73-V75 HydrophobicContact CG2-CG2 4.01Å; V75-H77 VanDerWaalsContact CG1-O 3.24Å; V75-H77 WeakPolarHBondContact CG1-O 2.97Å; V75-H82 HydrophobicContact CG1-CB 4.28Å; V75-T83 HydrophobicContact CG1-CG2 3.6Å; V75-V86 HydrophobicContact CG2-CG2 4.32Å; V75-V101 HydrophobicContact CG2-CG1 4.12Å; V75-S102 PolarHBondContact N-O 2.79Å; V75-K103 HydrophobicContact CB-CB 4.4Å; V75-K103 HydrophobicContact CB-CD 4.25Å; V75-K103 HydrophobicContact CB-CG 4.29Å; V75-K103 HydrophobicContact CG1-CD 4.23Å; V75-Y120 HydrophobicContact CG2-CE1 4.45Å
76T98.9Very high98.4Very high1 Ų127 Ų271%0.00614%0.14CC..SBendtrans-70.8-44.7-178.2540000111.9I45 D46 H82 M149I45-T76 HydrophobicContact CG2-CG2 4.08Å; D46-T76 PolarHBondContact OD1-N 2.61Å; D46-T76 PolarHBondContact OD1-OG1 2.89Å; D46-T76 VanDerWaalsContact OD2-CG2 3.25Å; D46-T76 WeakPolarHBondContact OD2-CG2 3.19Å; D46-T76 PolarHBondContact OD2-OG1 3.4Å; T76-H82 PolarHBondContact OG1-ND1 3.36Å; T76-M149 VanDerWaalsContact O-CB 3.31Å; T76-M149 WeakPolarHBondContact O-CB 3.49Å; T76-M149 PolarHBondContact O-N 3.45Å
77H98.8Very high98.2Very high0 Ų029.1 Ų29.10%015%0.152CC..SBendtrans-161.7173.2-178.466.1-71.8000112.7V75 H79 H82 T83 H144 T145 H148V75-H77 VanDerWaalsContact CG1-O 3.24Å; V75-H77 WeakPolarHBondContact CG1-O 2.97Å; H77-H79 VanDerWaalsContact C-N 3.32Å; H77-H79 AromaticContact CD2-CG 3.46Å; H77-H79 VanDerWaalsContact CD2-CG 3.46Å; H77-H79 AromaticContact CD2-ND1 3.17Å; H77-H79 PolarHBondContact CD2-ND1 3.02Å; H77-H79 WeakPolarHBondContact NE2-CB 3.27Å; H77-H79 AromaticContact NE2-CE1 3.98Å; H77-H79 AromaticContact NE2-CG 3.39Å; H77-H79 AromaticContact NE2-ND1 2.89Å; H77-H79 PolarHBondContact NE2-ND1 3.11Å; H77-H79 PolarHBondContact O-N 3.47Å; H77-H82 AromaticContact CE1-CD2 3.14Å; H77-H82 PolarHBondContact CE1-CD2 3.41Å; H77-H82 AromaticContact CE1-CE1 3.61Å; H77-H82 AromaticContact CE1-CG 3.45Å; H77-H82 VanDerWaalsContact CE1-CG 3.45Å; H77-H82 AromaticContact CE1-ND1 3.73Å; H77-H82 AromaticContact CE1-NE2 3.26Å; H77-H82 PolarHBondContact CE1-NE2 2.94Å; H77-H82 VanDerWaalsContact CE1-NE2 3.26Å; H77-H82 AromaticContact ND1-CD2 3.95Å; H77-H82 AromaticContact ND1-CG 3.82Å; H77-H82 AromaticContact NE2-CD2 3.64Å; H77-H82 AromaticContact NE2-NE2 3.95Å; H77-T83 WeakPolarHBondContact O-CG2 3.33Å; H77-H144 AromaticContact CD2-CD2 3.67Å; H77-H144 AromaticContact CD2-NE2 3.74Å; H77-H144 AromaticContact NE2-CD2 3.58Å; H77-H144 AromaticContact NE2-NE2 3.27Å; H77-H144 PolarHBondContact NE2-NE2 2.89Å; H77-T145 WeakPolarHBondContact CB-OG1 3.32Å; H77-H148 HydrophobicContact CB-CB 4.38Å; H77-H148 AromaticContact CG-CD2 3.93Å; H77-H148 AromaticContact ND1-CD2 3.88Å
78W98.3Very high98.1Very high69 Ų6924.7 Ų24.726%0.26113%0.128SC..SBendtrans-70.6-14.4-169.770.9-90.6000116.5T83 R106 E112 T145 D147W78-T83 PolarHBondContact O-OG1 3.37Å; W78-R106 VanDerWaalsContact CD1-NH1 3.33Å; W78-R106 VanDerWaalsContact CG-NH1 3.26Å; W78-E112 WeakPolarHBondContact CB-OE1 3.29Å; W78-T145 VanDerWaalsContact NE1-CG2 3.26Å; W78-D147 VanDerWaalsContact CB-OD2 3.3Å; W78-D147 WeakPolarHBondContact CB-OD2 3.34Å; W78-D147 PolarHBondContact N-OD2 3.2Å
79H98.4Very high98.1Very high43 Ų4324 Ų2420%0.19912%0.124CC..  trans-57.9147.6-175.6-69.9149.5000112.2H77 D81 H82 T83 H144 T145H77-H79 VanDerWaalsContact C-N 3.32Å; H77-H79 AromaticContact CD2-CG 3.46Å; H77-H79 VanDerWaalsContact CD2-CG 3.46Å; H77-H79 AromaticContact CD2-ND1 3.17Å; H77-H79 PolarHBondContact CD2-ND1 3.02Å; H77-H79 WeakPolarHBondContact NE2-CB 3.27Å; H77-H79 AromaticContact NE2-CE1 3.98Å; H77-H79 AromaticContact NE2-CG 3.39Å; H77-H79 AromaticContact NE2-ND1 2.89Å; H77-H79 PolarHBondContact NE2-ND1 3.11Å; H77-H79 PolarHBondContact O-N 3.47Å; H79-D81 VanDerWaalsContact C-N 3.27Å; H79-D81 WeakPolarHBondContact CB-OD1 3.38Å; H79-D81 PolarHBondContact O-N 3.14Å; H79-H82 PolarHBondContact O-N 2.9Å; H79-T83 PolarHBondContact O-N 3.31Å; H79-T83 PolarHBondContact O-OG1 2.9Å; H79-H144 AromaticContact CE1-CD2 3.98Å; H79-H144 AromaticContact CE1-CE1 3.79Å; H79-H144 AromaticContact CE1-NE2 3.13Å; H79-H144 PolarHBondContact CE1-NE2 3.11Å; H79-H144 AromaticContact ND1-CD2 4Å; H79-H144 AromaticContact ND1-CE1 3.98Å; H79-H144 AromaticContact ND1-NE2 3.08Å; H79-H144 PolarHBondContact ND1-NE2 3.27Å; H79-T145 VanDerWaalsContact CE1-CG2 3.42Å; H79-T145 WeakPolarHBondContact CE1-CG2 3.29Å
80H97.3Very high97.9Very high127 Ų12722.4 Ų22.459%0.58811%0.11SC*.Hα-helixtrans-67.2-26.8-168-74.5-58.3000113.8H82 G84H80-H82 PolarHBondContact O-N 2.83Å; H80-G84 WeakPolarHBondContact O-CA 3.37Å; H80-G84 PolarHBondContact O-N 2.84Å
81D98.6Very high97.8Very high24 Ų2428.8 Ų28.813%0.12813%0.134CC..Hα-helixtrans-78.8-4.1176.359.3-51.5000113.3T27 T31 G48 E49 H79 H198T27-D81 HydrophobicContact CG2-CB 3.98Å; T27-D81 WeakPolarHBondContact CG2-OD2 3.29Å; T31-D81 WeakPolarHBondContact CB-O 3.43Å; T31-D81 WeakPolarHBondContact CG2-O 3.44Å; T31-D81 PolarHBondContact OG1-O 3.19Å; G48-D81 CarbonylContact C-O 3.57Å; G48-D81 WeakPolarHBondContact CA-O 3.26Å; G48-D81 PolarHBondContact N-O 3.44Å; G48-D81 CarbonylContact O-C 3.33Å; E49-D81 HydrophobicContact CG-CB 3.8Å; H79-D81 VanDerWaalsContact C-N 3.27Å; H79-D81 WeakPolarHBondContact CB-OD1 3.38Å; H79-D81 PolarHBondContact O-N 3.14Å; D81-H198 IonicContact OD2-CE1 3.79Å; D81-H198 PolarHBondContact OD2-CE1 3.49Å; D81-H198 VanDerWaalsContact OD2-CE1 3.29Å; D81-H198 IonicContact OD2-NE2 2.77Å; D81-H198 PolarHBondContact OD2-NE2 2.92Å
82H98.8Very high97.7Very high0 Ų029.9 Ų29.90%014%0.141CC..Hα-helixtrans-111.8-34.2171.2-63.5-99.3000112.3D46 T47 V75 T76 H77 H79 H80 D163 H198D46-H82 HydrophobicContact CB-CB 4.29Å; D46-H82 VanDerWaalsContact CG-ND1 3.28Å; D46-H82 IonicContact OD1-ND1 3.34Å; D46-H82 IonicContact OD2-CE1 3.26Å; D46-H82 IonicContact OD2-CG 2.69Å; D46-H82 IonicContact OD2-ND1 2.7Å; D46-H82 PolarHBondContact OD2-ND1 3.32Å; T47-H82 PolarHBondContact N-O 3.27Å; T47-H82 PolarHBondContact OG1-O 3.21Å; V75-H82 HydrophobicContact CG1-CB 4.28Å; T76-H82 PolarHBondContact OG1-ND1 3.36Å; H77-H82 AromaticContact CE1-CD2 3.14Å; H77-H82 PolarHBondContact CE1-CD2 3.41Å; H77-H82 AromaticContact CE1-CE1 3.61Å; H77-H82 AromaticContact CE1-CG 3.45Å; H77-H82 VanDerWaalsContact CE1-CG 3.45Å; H77-H82 AromaticContact CE1-ND1 3.73Å; H77-H82 AromaticContact CE1-NE2 3.26Å; H77-H82 PolarHBondContact CE1-NE2 2.94Å; H77-H82 VanDerWaalsContact CE1-NE2 3.26Å; H77-H82 AromaticContact ND1-CD2 3.95Å; H77-H82 AromaticContact ND1-CG 3.82Å; H77-H82 AromaticContact NE2-CD2 3.64Å; H77-H82 AromaticContact NE2-NE2 3.95Å; H79-H82 PolarHBondContact O-N 2.9Å; H80-H82 PolarHBondContact O-N 2.83Å; H82-D163 IonicContact CE1-OD1 2.65Å; H82-D163 PolarHBondContact CE1-OD1 2.99Å; H82-D163 IonicContact NE2-OD1 3.94Å; H82-D163 PolarHBondContact NE2-OD1 2.78Å; H82-D163 IonicContact NE2-OD2 3.11Å; H82-H198 AromaticContact CE1-NE2 3.85Å; H82-H198 AromaticContact NE2-CE1 3.9Å; H82-H198 AromaticContact NE2-NE2 3.33Å; H82-H198 PolarHBondContact NE2-NE2 3.01Å
83T98.1Very high97.5Very high16 Ų1630.8 Ų30.810%0.09815%0.146CC..Hα-helixtrans-95.2-20.6-179.255.10000114.9T47 V75 H77 W78 H79 G85 V86T47-T83 PolarHBondContact OG1-O 2.65Å; V75-T83 HydrophobicContact CG1-CG2 3.6Å; H77-T83 WeakPolarHBondContact O-CG2 3.33Å; W78-T83 PolarHBondContact O-OG1 3.37Å; H79-T83 PolarHBondContact O-N 3.31Å; H79-T83 PolarHBondContact O-OG1 2.9Å; T83-G85 PolarHBondContact O-N 2.8Å; T83-V86 VanDerWaalsContact O-CG2 3.22Å; T83-V86 WeakPolarHBondContact O-CG2 3.35Å; T83-V86 PolarHBondContact O-N 2.86Å
84G97.5Very high97.1Very high11 Ų1133.1 Ų33.111%0.11316%0.16CC..THydrogen-bonded Turntrans-66.6-39.5-160.300000114.3G48 H80 V86G48-G84 WeakPolarHBondContact O-CA 3.22Å; G48-G84 PolarHBondContact O-N 2.94Å; G48-G84 VanDerWaalsContact O-N 3.12Å; H80-G84 WeakPolarHBondContact O-CA 3.37Å; H80-G84 PolarHBondContact O-N 2.84Å; G84-V86 VanDerWaalsContact C-N 3.27Å; G84-V86 PolarHBondContact O-N 2.77Å
85G97.9Very high96.5Very high0 Ų036.3 Ų36.30%019%0.193CC..THydrogen-bonded Turntrans-77.5-2.9-17700000115.1T47 G48 T83 I87 D88 I89T47-G85 WeakPolarHBondContact O-CA 3.38Å; T47-G85 PolarHBondContact OG1-N 3.33Å; G48-G85 PolarHBondContact O-N 2.85Å; G48-G85 VanDerWaalsContact O-N 3.11Å; T83-G85 PolarHBondContact O-N 2.8Å; G85-I87 VanDerWaalsContact C-N 3.3Å; G85-I87 PolarHBondContact O-N 3.33Å; G85-D88 PolarHBondContact O-N 2.96Å; G85-I89 VanDerWaalsContact O-CG1 3.29Å; G85-I89 WeakPolarHBondContact O-CG1 3.28Å; G85-I89 PolarHBondContact O-N 3.4Å
86V97.1Very high95.7Very high1 Ų138.3 Ų38.31%0.00621%0.207CC..Hα-helixtrans-55.1-44.9-177.6176.40000112T47 I73 V75 T83 G84 I89 C90 V101 I114T47-V86 HydrophobicContact CG2-CB 4.49Å; T47-V86 HydrophobicContact CG2-CG2 3.61Å; T47-V86 PolarHBondContact OG1-N 2.97Å; I73-V86 HydrophobicContact CD1-CG1 4.49Å; V75-V86 HydrophobicContact CG2-CG2 4.32Å; T83-V86 VanDerWaalsContact O-CG2 3.22Å; T83-V86 WeakPolarHBondContact O-CG2 3.35Å; T83-V86 PolarHBondContact O-N 2.86Å; G84-V86 VanDerWaalsContact C-N 3.27Å; G84-V86 PolarHBondContact O-N 2.77Å; V86-I89 PolarHBondContact O-N 3.06Å; V86-C90 PolarHBondContact O-N 2.99Å; V86-C90 PolarHBondContact O-SG 3.46Å; V86-V101 HydrophobicContact CG1-CG1 4.21Å; V86-V101 HydrophobicContact CG1-CG2 3.72Å; V86-V101 HydrophobicContact CG2-CG1 4.19Å; V86-I114 HydrophobicContact CB-CG2 4.01Å; V86-I114 HydrophobicContact CG1-CD1 4.28Å; V86-I114 HydrophobicContact CG1-CG2 3.44Å; V86-I114 VanDerWaalsContact CG1-CG2 3.44Å
87I95.6Very high94.7Very high80 Ų8042.5 Ų42.541%0.4124%0.236SC..Hα-helixtrans-66.7-42.8-178.6-62.9173.4000110.5G85 C90 R91 I114 G115G85-I87 VanDerWaalsContact C-N 3.3Å; G85-I87 PolarHBondContact O-N 3.33Å; I87-C90 PolarHBondContact O-N 2.93Å; I87-R91 WeakPolarHBondContact O-CB 3.26Å; I87-R91 PolarHBondContact O-N 3.44Å; I87-I114 HydrophobicContact CG1-CG2 3.96Å; I87-G115 VanDerWaalsContact CD1-CA 3.46Å
88D96.6Very high94.2Very high14 Ų1450.6 Ų50.68%0.07527%0.274CS..Hα-helixtrans-64.6-41.6179.9-60.4-60.2000111A51 I56 G85 R91 D92A51-D88 PolarHBondContact N-OD2 2.89Å; I56-D88 HydrophobicContact CD1-CB 3.8Å; I56-D88 HydrophobicContact CG1-CB 4.16Å; G85-D88 PolarHBondContact O-N 2.96Å; D88-R91 PolarHBondContact O-N 2.82Å; D88-R91 IonicContact OD1-CZ 3.14Å; D88-R91 VanDerWaalsContact OD1-CZ 3.25Å; D88-R91 IonicContact OD1-NH1 3.79Å; D88-R91 PolarHBondContact OD1-NH1 2.84Å; D88-R91 IonicContact OD1-NH2 3.81Å; D88-R91 PolarHBondContact OD1-NH2 2.96Å; D88-D92 WeakPolarHBondContact O-CB 3.39Å; D88-D92 PolarHBondContact O-N 2.83Å
89I97.6Very high94Very high0 Ų048.1 Ų48.10%027%0.266CS..Hα-helixtrans-62-46.8174.1-66.6164.7000111.3L44 T47 Y55 I56 L59 I70 I73 G85 V86 R91 I93 T94L44-I89 HydrophobicContact CD2-CD1 3.72Å; T47-I89 HydrophobicContact CG2-CD1 3.57Å; Y55-I89 HydrophobicContact CE1-CD1 4.04Å; Y55-I89 HydrophobicContact CE1-CG1 4.29Å; I56-I89 HydrophobicContact CD1-CG1 3.98Å; L59-I89 HydrophobicContact CD2-CD1 4.07Å; L59-I89 HydrophobicContact CD2-CG1 3.95Å; I70-I89 HydrophobicContact CD1-CG2 3.66Å; I73-I89 HydrophobicContact CD1-CB 4.47Å; I73-I89 HydrophobicContact CD1-CD1 4.25Å; I73-I89 HydrophobicContact CD1-CG2 4.03Å; G85-I89 VanDerWaalsContact O-CG1 3.29Å; G85-I89 WeakPolarHBondContact O-CG1 3.28Å; G85-I89 PolarHBondContact O-N 3.4Å; V86-I89 PolarHBondContact O-N 3.06Å; I89-R91 VanDerWaalsContact C-N 3.28Å; I89-R91 PolarHBondContact O-N 3.12Å; I89-I93 HydrophobicContact CG1-CD1 4.37Å; I89-I93 HydrophobicContact CG2-CB 4.28Å; I89-I93 HydrophobicContact CG2-CD1 4.32Å; I89-I93 WeakPolarHBondContact O-CA 3.47Å; I89-I93 VanDerWaalsContact O-CB 3.32Å; I89-I93 WeakPolarHBondContact O-CB 3.31Å; I89-I93 PolarHBondContact O-N 2.85Å; I89-T94 PolarHBondContact O-N 3.43Å
90C94.9Very high93.9Very high13 Ų1350.3 Ų50.39%0.08828%0.276CS..Iπ-helixtrans-62.2-38.4179.8-67.10000111.9V86 I87 T94 G95 S96V86-C90 PolarHBondContact O-N 2.99Å; V86-C90 PolarHBondContact O-SG 3.46Å; I87-C90 PolarHBondContact O-N 2.93Å; C90-T94 WeakPolarHBondContact CA-OG1 3.13Å; C90-T94 PolarHBondContact O-OG1 3.45Å; C90-G95 WeakPolarHBondContact O-CA 3.15Å; C90-G95 PolarHBondContact O-N 3.31Å; C90-G95 VanDerWaalsContact O-N 3.09Å; C90-S96 PolarHBondContact O-N 3.38Å
91R95Very high93.9Very high144 Ų14444.3 Ų44.354%0.54325%0.248SC..Iπ-helixtrans-72-50.9179.4-175.6-173.764.4-128.8-5.2112I87 D88 I89I87-R91 WeakPolarHBondContact O-CB 3.26Å; I87-R91 PolarHBondContact O-N 3.44Å; D88-R91 PolarHBondContact O-N 2.82Å; D88-R91 IonicContact OD1-CZ 3.14Å; D88-R91 VanDerWaalsContact OD1-CZ 3.25Å; D88-R91 IonicContact OD1-NH1 3.79Å; D88-R91 PolarHBondContact OD1-NH1 2.84Å; D88-R91 IonicContact OD1-NH2 3.81Å; D88-R91 PolarHBondContact OD1-NH2 2.96Å; I89-R91 VanDerWaalsContact C-N 3.28Å; I89-R91 PolarHBondContact O-N 3.12Å
92D96.4Very high93.9Very high64 Ų6443.1 Ų43.134%0.34224%0.242SC..Iπ-helixtrans-102-12.5-162.7-59.3-28.4000114I56 Q60 D88I56-D92 HydrophobicContact CG2-CB 3.74Å; Q60-D92 PolarHBondContact NE2-O 2.76Å; D88-D92 WeakPolarHBondContact O-CB 3.39Å; D88-D92 PolarHBondContact O-N 2.83Å
93I94.6Very high93.9Very high40 Ų4043.1 Ų43.121%0.20524%0.242CC..Iπ-helixtrans-116.9-55.4-176.8-56.9-171.6000111.8I56 L59 Q60 L63 I70 I89I56-I93 HydrophobicContact CD1-CD1 4.39Å; I56-I93 HydrophobicContact CG2-CD1 4.41Å; I56-I93 HydrophobicContact CG2-CG1 4.21Å; L59-I93 HydrophobicContact CB-CD1 3.92Å; L59-I93 HydrophobicContact CD2-CD1 3.32Å; L59-I93 HydrophobicContact CG-CD1 3.53Å; Q60-I93 HydrophobicContact CG-CD1 4.22Å; Q60-I93 HydrophobicContact CG-CG1 3.98Å; L63-I93 HydrophobicContact CD1-CG2 3.45Å; L63-I93 VanDerWaalsContact CD1-CG2 3.45Å; I70-I93 HydrophobicContact CD1-CG2 4.15Å; I89-I93 HydrophobicContact CG1-CD1 4.37Å; I89-I93 HydrophobicContact CG2-CB 4.28Å; I89-I93 HydrophobicContact CG2-CD1 4.32Å; I89-I93 WeakPolarHBondContact O-CA 3.47Å; I89-I93 VanDerWaalsContact O-CB 3.32Å; I89-I93 WeakPolarHBondContact O-CB 3.31Å; I89-I93 PolarHBondContact O-N 2.85Å
94T90.4Very high93.9Very high48 Ų4842.6 Ų42.629%0.29424%0.239SC..Iπ-helixtrans-87.5-24.2-177.3630000112.8I89 C90 S96 L99I89-T94 PolarHBondContact O-N 3.43Å; C90-T94 WeakPolarHBondContact CA-OG1 3.13Å; C90-T94 PolarHBondContact O-OG1 3.45Å; T94-S96 PolarHBondContact O-N 3.49Å; T94-S96 VanDerWaalsContact O-N 3.15Å; T94-S96 PolarHBondContact OG1-N 2.95Å; T94-S96 PolarHBondContact OG1-O 3.36Å; T94-S96 VanDerWaalsContact OG1-O 3.13Å; T94-L99 HydrophobicContact CG2-CD1 4.38Å; T94-L99 HydrophobicContact CG2-CD2 3.83Å
95G86.3Confident93.9Very high67 Ų6744.8 Ų44.869%0.69125%0.251SS*.  trans59.918.7-171.600000113C90C90-G95 WeakPolarHBondContact O-CA 3.15Å; C90-G95 PolarHBondContact O-N 3.31Å; C90-G95 VanDerWaalsContact O-N 3.09Å
96S81.8Confident93.9Very high42 Ų4246.9 Ų46.929%0.29426%0.259SS..  trans-139128.7-174.4175.30000111.1C90 T94 E98C90-S96 PolarHBondContact O-N 3.38Å; T94-S96 PolarHBondContact O-N 3.49Å; T94-S96 VanDerWaalsContact O-N 3.15Å; T94-S96 PolarHBondContact OG1-N 2.95Å; T94-S96 PolarHBondContact OG1-O 3.36Å; T94-S96 VanDerWaalsContact OG1-O 3.13Å; S96-E98 PolarHBondContact O-N 2.91Å; S96-E98 WeakPolarHBondContact OG-CB 3.45Å; S96-E98 PolarHBondContact OG-N 3.15Å; S96-E98 VanDerWaalsContact OG-N 3.07Å
97S79.1Confident93.8Very high89 Ų8950.6 Ų50.662%0.62229%0.285SS*.THydrogen-bonded Turntrans-76.4-6.2171.355.10000113.1K118S97-K118 PolarHBondContact O-NZ 2.77Å
98E87.1Confident93.8Very high170 Ų17051.4 Ų51.479%0.79430%0.295SS*.THydrogen-bonded Turntrans-85-10.6-176.5-59.3-172.9152.700113.6S96 Q100S96-E98 PolarHBondContact O-N 2.91Å; S96-E98 WeakPolarHBondContact OG-CB 3.45Å; S96-E98 PolarHBondContact OG-N 3.15Å; S96-E98 VanDerWaalsContact OG-N 3.07Å; E98-Q100 PolarHBondContact O-N 2.78Å; E98-Q100 VanDerWaalsContact O-N 3.16Å
99L93.9Very high93.7Very high17 Ų1756.5 Ų56.59%0.08933%0.329CS..SBendtrans-53.8121.9179.5-177.970.8000110.9I70 I73 T94 V101 K118I70-L99 HydrophobicContact CG2-CD1 4.12Å; I70-L99 HydrophobicContact CG2-CD2 4.15Å; I73-L99 HydrophobicContact CD1-CD2 3.58Å; I73-L99 HydrophobicContact CG1-CD2 3.76Å; T94-L99 HydrophobicContact CG2-CD1 4.38Å; T94-L99 HydrophobicContact CG2-CD2 3.83Å; L99-V101 PolarHBondContact O-N 2.9Å; L99-K118 WeakPolarHBondContact O-CE 3.43Å; L99-K118 PolarHBondContact O-NZ 2.98Å
100Q96.6Very high93.4Very high89 Ų8959.8 Ų59.842%0.41635%0.349SS..  trans-61.3133.8178.7178.9166.2-67.100110.9E72 I73 E98 S102E72-Q100 HydrophobicContact CB-CB 4.06Å; E72-Q100 HydrophobicContact CB-CG 4.44Å; E72-Q100 PolarHBondContact OE2-NE2 2.86Å; I73-Q100 PolarHBondContact N-O 3.5Å; E98-Q100 PolarHBondContact O-N 2.78Å; E98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-S102 PolarHBondContact NE2-OG 2.82Å
101V97.8Very high93.2Very high1 Ų165 Ų651%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-127.6114.1174.6-173.70000107.3I73 V75 V86 L99 I114 K118 Y120 T121I73-V101 HydrophobicContact CB-CB 4.49Å; I73-V101 HydrophobicContact CB-CG1 4.17Å; I73-V101 HydrophobicContact CB-CG2 4.21Å; I73-V101 HydrophobicContact CD1-CG2 4.32Å; I73-V101 HydrophobicContact CG2-CG1 4.12Å; I73-V101 CarbonylContact O-C 3.57Å; I73-V101 WeakPolarHBondContact O-CA 3.34Å; V75-V101 HydrophobicContact CG2-CG1 4.12Å; V86-V101 HydrophobicContact CG1-CG1 4.21Å; V86-V101 HydrophobicContact CG1-CG2 3.72Å; V86-V101 HydrophobicContact CG2-CG1 4.19Å; L99-V101 PolarHBondContact O-N 2.9Å; V101-I114 HydrophobicContact CB-CD1 3.74Å; V101-I114 HydrophobicContact CG1-CD1 3.79Å; V101-I114 HydrophobicContact CG2-CD1 4.12Å; V101-K118 VanDerWaalsContact CG2-CE 3.41Å; V101-Y120 HydrophobicContact CB-CD1 4.44Å; V101-Y120 HydrophobicContact CG1-CD1 3.81Å; V101-Y120 HydrophobicContact CG1-CE1 3.7Å; V101-Y120 WeakPolarHBondContact O-CA 3.46Å; V101-T121 PolarHBondContact O-N 3.41Å
102S98.4Very high93.1Very high0 Ų059.4 Ų59.40%036%0.356CS..EExtended strand (participates in β ladder)trans-113.6146.5-173.2-49.40000111.6I73 I74 V75 Q100 T121I73-S102 PolarHBondContact O-N 3.05Å; I74-S102 WeakPolarHBondContact CA-O 3.45Å; V75-S102 PolarHBondContact N-O 2.79Å; Q100-S102 PolarHBondContact NE2-OG 2.82Å; S102-T121 WeakPolarHBondContact CA-O 3.31Å; S102-T121 WeakPolarHBondContact CB-O 3.41Å
103K98.3Very high92.6Very high0 Ų063.7 Ų63.70%037%0.368CS..EExtended strand (participates in β ladder)trans-158.2167-178.1-172.3177.8155-78.80109.6V75 E112 Y120 T121 Y122 L123 D147V75-K103 HydrophobicContact CB-CB 4.4Å; V75-K103 HydrophobicContact CB-CD 4.25Å; V75-K103 HydrophobicContact CB-CG 4.29Å; V75-K103 HydrophobicContact CG1-CD 4.23Å; K103-E112 IonicContact NZ-OE1 3.8Å; K103-E112 PolarHBondContact NZ-OE1 3.25Å; K103-E112 VanDerWaalsContact NZ-OE1 3.16Å; K103-E112 IonicContact NZ-OE2 3.5Å; K103-E112 PolarHBondContact NZ-OE2 3.46Å; K103-Y120 HydrophobicContact CB-CD1 3.87Å; K103-Y120 HydrophobicContact CB-CE1 4.36Å; K103-Y120 HydrophobicContact CB-CG 4.35Å; K103-Y120 HydrophobicContact CD-CD1 4.34Å; K103-Y120 HydrophobicContact CD-CE1 4.14Å; K103-T121 PolarHBondContact N-O 3.03Å; K103-T121 VanDerWaalsContact N-O 3.15Å; K103-Y122 CarbonylContact O-C 3.48Å; K103-Y122 VanDerWaalsContact O-CA 3.3Å; K103-Y122 WeakPolarHBondContact O-CA 3.42Å; K103-L123 PolarHBondContact O-N 3.13Å; K103-D147 WeakPolarHBondContact CE-OD2 3.5Å; K103-D147 IonicContact NZ-OD2 3.92Å; K103-D147 PolarHBondContact NZ-OD2 2.9Å
104L98.6Very high92.3Very high5 Ų562.3 Ų62.33%0.02636%0.36CS..PPolyproline II helixtrans-78.6149163.8-67.7178.9000111.2L123 V138 F140 D147 M149L104-L123 HydrophobicContact CD2-CB 4.1Å; L104-L123 VanDerWaalsContact CD2-O 3.22Å; L104-L123 WeakPolarHBondContact CD2-O 3.48Å; L104-V138 HydrophobicContact CD2-CG1 4.02Å; L104-F140 HydrophobicContact CD1-CB 3.77Å; L104-F140 HydrophobicContact CD1-CD2 3.39Å; L104-F140 HydrophobicContact CD1-CE2 4.32Å; L104-F140 HydrophobicContact CD1-CG 3.96Å; L104-D147 WeakPolarHBondContact CB-O 3.36Å; L104-M149 HydrophobicContact CB-CE 4.37Å; L104-M149 HydrophobicContact CD1-CB 3.78Å; L104-M149 HydrophobicContact CD1-CE 4.45Å; L104-M149 HydrophobicContact CD1-CG 4.04Å; L104-M149 HydrophobicContact CD2-CE 4.06Å; L104-M149 HydrophobicContact CG-CB 4.01Å; L104-M149 HydrophobicContact CG-CE 3.58Å; L104-M149 HydrophobicContact CG-CG 4.18Å
105P98.1Very high91.9Very high57 Ų5761.5 Ų61.537%0.3736%0.362SS..PPolyproline II helixtrans-72.3149.7176.730.8-34.3000111.6Y122 L123P105-Y122 VanDerWaalsContact CA-CD1 3.48Å; P105-Y122 HydrophobicContact CB-CD1 3.74Å; P105-Y122 HydrophobicContact CB-CD2 4.23Å; P105-Y122 HydrophobicContact CB-CE1 4Å; P105-Y122 HydrophobicContact CB-CE2 4.44Å; P105-Y122 HydrophobicContact CB-CG 3.88Å; P105-Y122 HydrophobicContact CG-CD1 4.49Å; P105-Y122 HydrophobicContact CG-CG 4.49Å; P105-L123 WeakPolarHBondContact CD-O 3.27Å
106R98.1Very high91.5Very high44 Ų4464.1 Ų64.117%0.16637%0.367CS..PPolyproline II helixtrans-62.6150.4169.4-61.9-66-57.3-93.65.5111.8W78 P108 P109 T110 E112 D146 D147W78-R106 VanDerWaalsContact CD1-NH1 3.33Å; W78-R106 VanDerWaalsContact CG-NH1 3.26Å; R106-P108 CarbonylContact C-O 3.28Å; R106-P108 VanDerWaalsContact C-O 3.28Å; R106-P108 WeakPolarHBondContact CB-O 3.45Å; R106-P108 CarbonylContact O-C 3.53Å; R106-P108 VanDerWaalsContact O-C 3.27Å; R106-P109 WeakPolarHBondContact O-CA 3.44Å; R106-T110 HydrophobicContact CB-CG2 4.2Å; R106-T110 WeakPolarHBondContact CB-OG1 3.46Å; R106-T110 VanDerWaalsContact CG-OG1 3.22Å; R106-T110 WeakPolarHBondContact CG-OG1 3.46Å; R106-E112 HydrophobicContact CG-CG 4.01Å; R106-E112 WeakPolarHBondContact CG-OE1 3.37Å; R106-E112 WeakPolarHBondContact CG-OE2 3.23Å; R106-D146 VanDerWaalsContact CA-OD1 3.24Å; R106-D146 WeakPolarHBondContact CA-OD1 3.4Å; R106-D146 WeakPolarHBondContact CD-OD1 3.24Å; R106-D146 IonicContact CZ-OD1 3.08Å; R106-D146 IonicContact CZ-OD2 3.08Å; R106-D146 VanDerWaalsContact NE-CG 3.31Å; R106-D146 IonicContact NE-OD1 2.93Å; R106-D146 PolarHBondContact NE-OD1 3.18Å; R106-D146 IonicContact NE-OD2 2.77Å; R106-D146 PolarHBondContact NE-OD2 3.34Å; R106-D146 VanDerWaalsContact NE-OD2 3.08Å; R106-D146 IonicContact NH2-OD1 3.46Å; R106-D146 IonicContact NH2-OD2 3.34Å; R106-D146 PolarHBondContact NH2-OD2 3.11Å; R106-D147 VanDerWaalsContact CD-CG 3.49Å; R106-D147 WeakPolarHBondContact CD-OD2 3.43Å
107S94.6Very high91.2Very high78 Ų7867 Ų6755%0.54539%0.387SS..SBendtrans-130.6103177177.40000110.9D146S107-D146 PolarHBondContact N-OD1 2.94Å; S107-D146 WeakPolarHBondContact O-CB 3.49Å
108P95.4Very high91.6Very high98 Ų9864.4 Ų64.464%0.63636%0.364SS*.SBendcis-71.7159.37.130.7-36.3000113.4R106 T110R106-P108 CarbonylContact C-O 3.28Å; R106-P108 VanDerWaalsContact C-O 3.28Å; R106-P108 WeakPolarHBondContact CB-O 3.45Å; R106-P108 CarbonylContact O-C 3.53Å; R106-P108 VanDerWaalsContact O-C 3.27Å; P108-T110 PolarHBondContact O-N 3.13Å
109P94.1Very high91.7Very high121 Ų12160.9 Ų60.979%0.78636%0.355SS*.  trans-57.4134.2179.7-25.834.7000112.9R106R106-P109 WeakPolarHBondContact O-CA 3.44Å
110T92.8Very high91.8Very high68 Ų6861.1 Ų61.142%0.41736%0.355SS..  trans-124.6151.8175.1610000110.4R106 P108 E112R106-T110 HydrophobicContact CB-CG2 4.2Å; R106-T110 WeakPolarHBondContact CB-OG1 3.46Å; R106-T110 VanDerWaalsContact CG-OG1 3.22Å; R106-T110 WeakPolarHBondContact CG-OG1 3.46Å; P108-T110 PolarHBondContact O-N 3.13Å; T110-E112 PolarHBondContact O-N 2.85Å; T110-E112 WeakPolarHBondContact OG1-CG 3.47Å
111D89.6Confident91.9Very high122 Ų12259.9 Ų59.965%0.65235%0.353SS*.  trans-73.489.9171.8-173.111.7000109.5R113D111-R113 IonicContact OD1-NE 2.72Å; D111-R113 PolarHBondContact OD1-NE 2.82Å; D111-R113 IonicContact OD2-CZ 3.38Å; D111-R113 IonicContact OD2-NE 3.29Å; D111-R113 PolarHBondContact OD2-NE 2.94Å; D111-R113 VanDerWaalsContact OD2-NE 3.08Å; D111-R113 IonicContact OD2-NH2 3.23Å; D111-R113 PolarHBondContact OD2-NH2 3.23Å
112E92.5Very high91.9Very high27 Ų2764.5 Ų64.513%0.12637%0.371CS..  trans-90.9123.5173.8-59.5-172.2108.400110.4W78 K103 R106 T110 Y120 Y122W78-E112 WeakPolarHBondContact CB-OE1 3.29Å; K103-E112 IonicContact NZ-OE1 3.8Å; K103-E112 PolarHBondContact NZ-OE1 3.25Å; K103-E112 VanDerWaalsContact NZ-OE1 3.16Å; K103-E112 IonicContact NZ-OE2 3.5Å; K103-E112 PolarHBondContact NZ-OE2 3.46Å; R106-E112 HydrophobicContact CG-CG 4.01Å; R106-E112 WeakPolarHBondContact CG-OE1 3.37Å; R106-E112 WeakPolarHBondContact CG-OE2 3.23Å; T110-E112 PolarHBondContact O-N 2.85Å; T110-E112 WeakPolarHBondContact OG1-CG 3.47Å; E112-Y120 HydrophobicContact CB-CD2 3.94Å; E112-Y120 HydrophobicContact CB-CE2 3.92Å; E112-Y122 PolarHBondContact OE2-OH 2.87Å
113R87.1Confident91.9Very high155 Ų15565.6 Ų65.659%0.58538%0.377SS*.EExtended strand (participates in β ladder)trans-121.2145.4178.6-60-170.3-176.2-153.92.6111.8D111D111-R113 IonicContact OD1-NE 2.72Å; D111-R113 PolarHBondContact OD1-NE 2.82Å; D111-R113 IonicContact OD2-CZ 3.38Å; D111-R113 IonicContact OD2-NE 3.29Å; D111-R113 PolarHBondContact OD2-NE 2.94Å; D111-R113 VanDerWaalsContact OD2-NE 3.08Å; D111-R113 IonicContact OD2-NH2 3.23Å; D111-R113 PolarHBondContact OD2-NH2 3.23Å
114I87.1Confident91.9Very high10 Ų1072.3 Ų72.35%0.05141%0.406CS..EExtended strand (participates in β ladder)trans-101.396.8171.3-53.9166.7000106.9V86 I87 V101 K118 Y120V86-I114 HydrophobicContact CB-CG2 4.01Å; V86-I114 HydrophobicContact CG1-CD1 4.28Å; V86-I114 HydrophobicContact CG1-CG2 3.44Å; V86-I114 VanDerWaalsContact CG1-CG2 3.44Å; I87-I114 HydrophobicContact CG1-CG2 3.96Å; V101-I114 HydrophobicContact CB-CD1 3.74Å; V101-I114 HydrophobicContact CG1-CD1 3.79Å; V101-I114 HydrophobicContact CG2-CD1 4.12Å; I114-K118 HydrophobicContact CB-CB 3.98Å; I114-K118 HydrophobicContact CB-CD 4.25Å; I114-K118 HydrophobicContact CB-CG 4.16Å; I114-K118 HydrophobicContact CD1-CD 4.17Å; I114-K118 HydrophobicContact CD1-CG 4.13Å; I114-K118 HydrophobicContact CG2-CB 4.44Å; I114-K118 HydrophobicContact CG2-CD 4.08Å; I114-K118 PolarHBondContact N-O 2.74Å; I114-K118 WeakPolarHBondContact O-CB 3.42Å; I114-K118 PolarHBondContact O-N 3.13Å; I114-Y120 HydrophobicContact CD1-CD1 3.69Å; I114-Y120 HydrophobicContact CD1-CD2 4.26Å; I114-Y120 HydrophobicContact CD1-CE1 3.53Å; I114-Y120 HydrophobicContact CD1-CE2 4.12Å; I114-Y120 HydrophobicContact CD1-CG 4.04Å; I114-Y120 HydrophobicContact CG1-CD1 4.26Å; I114-Y120 HydrophobicContact CG1-CD2 4.1Å; I114-Y120 HydrophobicContact CG1-CE1 3.79Å; I114-Y120 HydrophobicContact CG1-CE2 3.61Å; I114-Y120 HydrophobicContact CG1-CG 4.4Å; I114-Y120 VanDerWaalsContact CG1-CZ 3.43Å
115G82.8Confident91.9Very high32 Ų3277.1 Ų77.133%0.3343%0.428SS..THydrogen-bonded Turntrans62.1-149.4-175.400000112.4I87I87-G115 VanDerWaalsContact CD1-CA 3.46Å
116P77.6Confident91.9Very high121 Ų12175.9 Ų75.979%0.78643%0.426SS*.THydrogen-bonded Turntrans-74.9-28-167.526.9-33.5000114.9
117S75.8Confident92Very high103 Ų10375.8 Ų75.872%0.7243%0.429SS*.THydrogen-bonded Turntrans-144.2-5.6-166.757.80000116
118K86.9Confident92.2Very high34 Ų3475.6 Ų75.615%0.14842%0.424CS..EExtended strand (participates in β ladder)trans-96.2138.4-176.2-174.8-178.1-174.362.70110.7S97 L99 V101 I114S97-K118 PolarHBondContact O-NZ 2.77Å; L99-K118 WeakPolarHBondContact O-CE 3.43Å; L99-K118 PolarHBondContact O-NZ 2.98Å; V101-K118 VanDerWaalsContact CG2-CE 3.41Å; I114-K118 HydrophobicContact CB-CB 3.98Å; I114-K118 HydrophobicContact CB-CD 4.25Å; I114-K118 HydrophobicContact CB-CG 4.16Å; I114-K118 HydrophobicContact CD1-CD 4.17Å; I114-K118 HydrophobicContact CD1-CG 4.13Å; I114-K118 HydrophobicContact CG2-CB 4.44Å; I114-K118 HydrophobicContact CG2-CD 4.08Å; I114-K118 PolarHBondContact N-O 2.74Å; I114-K118 WeakPolarHBondContact O-CB 3.42Å; I114-K118 PolarHBondContact O-N 3.13Å
119T90.8Very high92.3Very high97 Ų9771.4 Ų71.460%0.59540%0.396SS*.EExtended strand (participates in β ladder)trans-114.6158.4177.756.10000110.4
120Y96.1Very high92.5Very high22 Ų2272.3 Ų72.39%0.08639%0.39CS..  trans-73.8146.7171-67.3-80.2000111.6V75 V101 K103 E112 I114V75-Y120 HydrophobicContact CG2-CE1 4.45Å; V101-Y120 HydrophobicContact CB-CD1 4.44Å; V101-Y120 HydrophobicContact CG1-CD1 3.81Å; V101-Y120 HydrophobicContact CG1-CE1 3.7Å; V101-Y120 WeakPolarHBondContact O-CA 3.46Å; K103-Y120 HydrophobicContact CB-CD1 3.87Å; K103-Y120 HydrophobicContact CB-CE1 4.36Å; K103-Y120 HydrophobicContact CB-CG 4.35Å; K103-Y120 HydrophobicContact CD-CD1 4.34Å; K103-Y120 HydrophobicContact CD-CE1 4.14Å; E112-Y120 HydrophobicContact CB-CD2 3.94Å; E112-Y120 HydrophobicContact CB-CE2 3.92Å; I114-Y120 HydrophobicContact CD1-CD1 3.69Å; I114-Y120 HydrophobicContact CD1-CD2 4.26Å; I114-Y120 HydrophobicContact CD1-CE1 3.53Å; I114-Y120 HydrophobicContact CD1-CE2 4.12Å; I114-Y120 HydrophobicContact CD1-CG 4.04Å; I114-Y120 HydrophobicContact CG1-CD1 4.26Å; I114-Y120 HydrophobicContact CG1-CD2 4.1Å; I114-Y120 HydrophobicContact CG1-CE1 3.79Å; I114-Y120 HydrophobicContact CG1-CE2 3.61Å; I114-Y120 HydrophobicContact CG1-CG 4.4Å; I114-Y120 VanDerWaalsContact CG1-CZ 3.43Å
121T97.3Very high92.8Very high63 Ų6369.8 Ų69.839%0.38738%0.375SS..EExtended strand (participates in β ladder)trans-84111.1158.8-63.30000107.8V101 S102 K103 L123V101-T121 PolarHBondContact O-N 3.41Å; S102-T121 WeakPolarHBondContact CA-O 3.31Å; S102-T121 WeakPolarHBondContact CB-O 3.41Å; K103-T121 PolarHBondContact N-O 3.03Å; K103-T121 VanDerWaalsContact N-O 3.15Å; T121-L123 PolarHBondContact O-N 3.18Å
122Y98.1Very high93.2Very high98 Ų9869.7 Ų69.738%0.38437%0.37SS..EExtended strand (participates in β ladder)trans-79.1124.8-178.5-69.4-54.6000112.1K103 P105 E112K103-Y122 CarbonylContact O-C 3.48Å; K103-Y122 VanDerWaalsContact O-CA 3.3Å; K103-Y122 WeakPolarHBondContact O-CA 3.42Å; P105-Y122 VanDerWaalsContact CA-CD1 3.48Å; P105-Y122 HydrophobicContact CB-CD1 3.74Å; P105-Y122 HydrophobicContact CB-CD2 4.23Å; P105-Y122 HydrophobicContact CB-CE1 4Å; P105-Y122 HydrophobicContact CB-CE2 4.44Å; P105-Y122 HydrophobicContact CB-CG 3.88Å; P105-Y122 HydrophobicContact CG-CD1 4.49Å; P105-Y122 HydrophobicContact CG-CG 4.49Å; E112-Y122 PolarHBondContact OE2-OH 2.87Å
123L98.6Very high93.5Very high23 Ų2369.9 Ų69.912%0.1238%0.38CS..  trans-88.8171.7172.3-65.7166.6000110.3I74 K103 L104 P105 T121 D127 I129 V138 M149I74-L123 HydrophobicContact CD1-CD1 4.29Å; I74-L123 HydrophobicContact CG2-CD1 4.47Å; K103-L123 PolarHBondContact O-N 3.13Å; L104-L123 HydrophobicContact CD2-CB 4.1Å; L104-L123 VanDerWaalsContact CD2-O 3.22Å; L104-L123 WeakPolarHBondContact CD2-O 3.48Å; P105-L123 WeakPolarHBondContact CD-O 3.27Å; T121-L123 PolarHBondContact O-N 3.18Å; L123-D127 WeakPolarHBondContact CA-OD2 3.46Å; L123-D127 HydrophobicContact CD2-CB 4.24Å; L123-I129 HydrophobicContact CD1-CD1 3.99Å; L123-V138 HydrophobicContact CD1-CG2 4.14Å; L123-M149 HydrophobicContact CB-CE 4.14Å; L123-M149 HydrophobicContact CD1-CE 3.62Å; L123-M149 HydrophobicContact CD1-SD 4.45Å; L123-M149 HydrophobicContact CG-CE 4.48Å
124K98.4Very high94.1Very high140 Ų14062.6 Ų62.661%0.60935%0.353SS*.  trans-132.1161.1170.156.1178.8177.8-170.30111G126 D127 V138K124-G126 PolarHBondContact O-N 3.25Å; K124-D127 WeakPolarHBondContact CE-OD1 3.25Å; K124-D127 WeakPolarHBondContact CG-OD1 3.14Å; K124-D127 WeakPolarHBondContact CG-OD2 3.3Å; K124-D127 PolarHBondContact N-OD2 2.83Å; K124-D127 WeakPolarHBondContact O-CB 3.2Å; K124-D127 PolarHBondContact O-N 3.15Å; K124-D127 VanDerWaalsContact O-N 3.11Å; K124-V138 WeakPolarHBondContact O-CG1 3.41Å
125H98.5Very high94.7Very high106 Ų10663.3 Ų63.349%0.49136%0.358SS..THydrogen-bonded Turntrans-50.4132.2171.1179.793.9000110.8D127 F140H125-D127 VanDerWaalsContact C-N 3.32Å; H125-F140 HydrophobicContact CB-CB 3.82Å; H125-F140 PolarHBondContact ND1-N 3.32Å
126G98.4Very high95.4Very high32 Ų3261.8 Ų61.833%0.3334%0.342SS..THydrogen-bonded Turntrans84.6-4.7178.900000115.2K124 V138K124-G126 PolarHBondContact O-N 3.25Å; G126-V138 PolarHBondContact N-O 3.09Å
127D98.8Very high96.4Very high41 Ų4160 Ų6022%0.21932%0.322CS..  trans-59.7152.5168.4-77.2-13.5000110.8L123 K124 H125 V138L123-D127 WeakPolarHBondContact CA-OD2 3.46Å; L123-D127 HydrophobicContact CD2-CB 4.24Å; K124-D127 WeakPolarHBondContact CE-OD1 3.25Å; K124-D127 WeakPolarHBondContact CG-OD1 3.14Å; K124-D127 WeakPolarHBondContact CG-OD2 3.3Å; K124-D127 PolarHBondContact N-OD2 2.83Å; K124-D127 WeakPolarHBondContact O-CB 3.2Å; K124-D127 PolarHBondContact O-N 3.15Å; K124-D127 VanDerWaalsContact O-N 3.11Å; H125-D127 VanDerWaalsContact C-N 3.32Å; D127-V138 HydrophobicContact CB-CB 4.27Å; D127-V138 HydrophobicContact CB-CG2 3.99Å; D127-V138 WeakPolarHBondContact O-CB 3.47Å; D127-V138 WeakPolarHBondContact O-CG2 3.26Å; D127-V138 PolarHBondContact O-N 3.22Å
128V98.8Very high97.6Very high75 Ų7555.1 Ų55.146%0.45529%0.288SS..EExtended strand (participates in β ladder)trans-121.4129-179.6179.80000108.7E130 T135 L136V128-E130 HydrophobicContact CG1-CG 4.02Å; V128-T135 HydrophobicContact CG1-CG2 3.47Å; V128-T135 VanDerWaalsContact CG1-CG2 3.47Å; V128-L136 WeakPolarHBondContact CA-O 3.33Å
129I98.8Very high98.1Very high9 Ų954.1 Ų54.15%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-109.4119.6173.6-57.2124000107.4V43 I74 L123 L136 V138 L151V43-I129 HydrophobicContact CG2-CG2 3.97Å; I74-I129 HydrophobicContact CD1-CD1 4Å; I74-I129 HydrophobicContact CD1-CG1 4.17Å; I74-I129 HydrophobicContact CD1-CG2 4.41Å; I74-I129 HydrophobicContact CG1-CD1 4.32Å; L123-I129 HydrophobicContact CD1-CD1 3.99Å; I129-L136 HydrophobicContact CB-CB 4.22Å; I129-L136 PolarHBondContact N-O 3.38Å; I129-L136 PolarHBondContact O-N 2.85Å; I129-V138 HydrophobicContact CD1-CG2 3.56Å; I129-L151 HydrophobicContact CD1-CD2 3.94Å
130E98.6Very high98.5Very high140 Ų14053 Ų5365%0.65427%0.271SS*.EExtended strand (participates in β ladder)trans-105.2139.2-179.1-62.4-175.1142.200110.7Q71 V128Q71-E130 PolarHBondContact NE2-O 3.13Å; V128-E130 HydrophobicContact CG1-CG 4.02Å
131T98.7Very high98.6Very high15 Ų1552 Ų529%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-141.2167.5167-167.80000108.9V36 R41 V43 Q71 G133 A134V36-T131 WeakPolarHBondContact O-CG2 3.33Å; R41-T131 PolarHBondContact O-OG1 2.87Å; V43-T131 HydrophobicContact CG2-CG2 4.06Å; Q71-T131 VanDerWaalsContact OE1-CB 3.3Å; Q71-T131 PolarHBondContact OE1-OG1 3.19Å; T131-G133 PolarHBondContact O-N 3.42Å; T131-A134 HydrophobicContact CG2-CB 3.78Å; T131-A134 PolarHBondContact N-O 2.93Å; T131-A134 PolarHBondContact O-N 2.75Å
132E98.8Very high98.7Very high120 Ų12050 Ų5056%0.56126%0.255SS*.THydrogen-bonded Turntrans-57.5117.3-177.4-170.9-167.912600110.2G37 T38 G39 A134G37-E132 CarbonylContact C-O 3.55Å; G37-E132 WeakPolarHBondContact CA-O 3.37Å; T38-E132 PolarHBondContact N-O 2.92Å; T38-E132 PolarHBondContact OG1-O 3.47Å; T38-E132 VanDerWaalsContact OG1-O 3.12Å; G39-E132 WeakPolarHBondContact CA-OE1 3.31Å; G39-E132 WeakPolarHBondContact CA-OE2 3.48Å; E132-A134 VanDerWaalsContact C-N 3.33Å; E132-A134 PolarHBondContact O-N 2.98Å
133G98.6Very high98.7Very high32 Ų3245.4 Ų45.433%0.3324%0.238SC..THydrogen-bonded Turntrans75.110.117800000115.8R14 T131R14-G133 WeakPolarHBondContact CD-O 3.43Å; R14-G133 PolarHBondContact NE-O 2.93Å; T131-G133 PolarHBondContact O-N 3.42Å
134A98.9Very high98.7Very high2 Ų244.6 Ų44.62%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-148.5137.1175.700000113.1V36 T131 E132 L153 E155V36-A134 HydrophobicContact CG1-CB 3.83Å; T131-A134 HydrophobicContact CG2-CB 3.78Å; T131-A134 PolarHBondContact N-O 2.93Å; T131-A134 PolarHBondContact O-N 2.75Å; E132-A134 VanDerWaalsContact C-N 3.33Å; E132-A134 PolarHBondContact O-N 2.98Å; A134-L153 HydrophobicContact CB-CD1 3.64Å; A134-E155 WeakPolarHBondContact CA-OE1 3.19Å
135T98.9Very high98.7Very high25 Ų2538 Ų3815%0.15321%0.205CC..EExtended strand (participates in β ladder)trans-119.3119.2174.7-64.40000110.1V128 E154 E155V128-T135 HydrophobicContact CG1-CG2 3.47Å; V128-T135 VanDerWaalsContact CG1-CG2 3.47Å; T135-E154 HydrophobicContact CG2-CG 4.28Å; T135-E154 PolarHBondContact O-N 3.02Å; T135-E155 PolarHBondContact N-OE1 3.31Å; T135-E155 VanDerWaalsContact N-OE1 3.08Å; T135-E155 PolarHBondContact N-OE2 3.43Å
136L98.9Very high98.7Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-107.8115.6-178.6-66.6169.8000110.6V36 V43 I45 V128 I129 L151 V152 L153 F160V36-L136 HydrophobicContact CB-CD1 4.47Å; V36-L136 HydrophobicContact CG1-CD1 4.37Å; V36-L136 HydrophobicContact CG1-CD2 4.29Å; V43-L136 HydrophobicContact CB-CD1 4.23Å; V43-L136 HydrophobicContact CG1-CD1 3.95Å; V43-L136 HydrophobicContact CG2-CD1 4.46Å; I45-L136 HydrophobicContact CD1-CD1 4.28Å; V128-L136 WeakPolarHBondContact CA-O 3.33Å; I129-L136 HydrophobicContact CB-CB 4.22Å; I129-L136 PolarHBondContact N-O 3.38Å; I129-L136 PolarHBondContact O-N 2.85Å; L136-L151 HydrophobicContact CB-CD2 4.36Å; L136-L151 HydrophobicContact CD2-CB 4.34Å; L136-V152 CarbonylContact C-O 3.59Å; L136-V152 VanDerWaalsContact CA-O 3.31Å; L136-V152 WeakPolarHBondContact CA-O 2.89Å; L136-L153 HydrophobicContact CD2-CB 4.05Å; L136-L153 HydrophobicContact CD2-CD1 4.13Å; L136-F160 HydrophobicContact CD2-CD2 3.96Å; L136-F160 HydrophobicContact CD2-CE2 3.69Å
137K98.9Very high98.7Very high84 Ų8432.9 Ų32.937%0.36517%0.174SC..EExtended strand (participates in β ladder)trans-95.3128.7175.1-175.4177.5-178.8177.70111.4L151 V152K137-L151 CarbonylContact O-C 3.52Å; K137-L151 WeakPolarHBondContact O-CA 3.41Å; K137-V152 HydrophobicContact CB-CB 4.37Å; K137-V152 PolarHBondContact N-O 3.38Å; K137-V152 PolarHBondContact O-N 2.93Å
138V98.9Very high98.7Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-76.4124.1-179177.80000111.2L104 L123 K124 G126 D127 I129 M149 L151L104-V138 HydrophobicContact CD2-CG1 4.02Å; L123-V138 HydrophobicContact CD1-CG2 4.14Å; K124-V138 WeakPolarHBondContact O-CG1 3.41Å; G126-V138 PolarHBondContact N-O 3.09Å; D127-V138 HydrophobicContact CB-CB 4.27Å; D127-V138 HydrophobicContact CB-CG2 3.99Å; D127-V138 WeakPolarHBondContact O-CB 3.47Å; D127-V138 WeakPolarHBondContact O-CG2 3.26Å; D127-V138 PolarHBondContact O-N 3.22Å; I129-V138 HydrophobicContact CD1-CG2 3.56Å; V138-M149 HydrophobicContact CG1-CE 4.1Å; V138-M149 HydrophobicContact CG1-CG 3.84Å; V138-M149 HydrophobicContact CG1-SD 3.88Å; V138-M149 HydrophobicContact CG2-SD 4.2Å; V138-L151 HydrophobicContact CG2-CD2 3.94Å
139L98.9Very high98.7Very high13 Ų1327.4 Ų27.47%0.06814%0.142CC..EExtended strand (participates in β ladder)trans-114.8110.9170.2-59.2-174.9000110.1T141 A150 V152 I185 L186L139-T141 HydrophobicContact CB-CG2 4.15Å; L139-T141 PolarHBondContact O-N 3.37Å; L139-T141 PolarHBondContact O-OG1 3.46Å; L139-A150 WeakPolarHBondContact CA-O 3.46Å; L139-A150 HydrophobicContact CB-CB 4.34Å; L139-A150 PolarHBondContact N-O 3.02Å; L139-A150 PolarHBondContact O-N 2.88Å; L139-V152 HydrophobicContact CD1-CG2 3.47Å; L139-V152 VanDerWaalsContact CD1-CG2 3.47Å; L139-V152 HydrophobicContact CG-CG2 3.98Å; L139-I185 HydrophobicContact CD1-CG2 4.4Å; L139-L186 HydrophobicContact CD1-CD2 4.05Å
140F98.8Very high98.7Very high73 Ų7327 Ų2732%0.3214%0.139SC..EExtended strand (participates in β ladder)trans-65.1117.6165.2-179.3-139.1000110.4L104 H125 P142 D146L104-F140 HydrophobicContact CD1-CB 3.77Å; L104-F140 HydrophobicContact CD1-CD2 3.39Å; L104-F140 HydrophobicContact CD1-CE2 4.32Å; L104-F140 HydrophobicContact CD1-CG 3.96Å; H125-F140 HydrophobicContact CB-CB 3.82Å; H125-F140 PolarHBondContact ND1-N 3.32Å; F140-P142 HydrophobicContact CD1-CG 4.29Å; F140-P142 HydrophobicContact CD2-CG 4.43Å; F140-P142 HydrophobicContact CE1-CB 4.3Å; F140-P142 HydrophobicContact CE1-CG 3.77Å; F140-P142 HydrophobicContact CE2-CB 3.72Å; F140-P142 HydrophobicContact CE2-CG 3.95Å; F140-P142 HydrophobicContact CZ-CB 3.61Å; F140-P142 HydrophobicContact CZ-CG 3.6Å; F140-D146 VanDerWaalsContact CE2-O 3.32Å; F140-D146 WeakPolarHBondContact CE2-O 3.21Å; F140-D146 WeakPolarHBondContact CZ-O 3.44Å
141T98.8Very high98.8Very high0 Ų020.3 Ų20.30%011%0.108CC..  trans-133.663.4-173.2450000110.7L139 H148 A150 S182 L186L139-T141 HydrophobicContact CB-CG2 4.15Å; L139-T141 PolarHBondContact O-N 3.37Å; L139-T141 PolarHBondContact O-OG1 3.46Å; T141-H148 CarbonylContact C-O 3.27Å; T141-H148 PolarHBondContact N-O 3.18Å; T141-H148 WeakPolarHBondContact O-CB 3.35Å; T141-H148 PolarHBondContact O-ND1 3.23Å; T141-H148 PolarHBondContact OG1-ND1 2.9Å; T141-H148 PolarHBondContact OG1-O 3.4Å; T141-A150 HydrophobicContact CG2-CB 4.04Å; T141-A150 PolarHBondContact OG1-N 3.35Å; T141-S182 WeakPolarHBondContact CA-OG 3.45Å; T141-S182 PolarHBondContact O-OG 3.5Å; T141-L186 HydrophobicContact CG2-CD2 3.91Å; T141-L186 HydrophobicContact CG2-CG 4.13Å
142P98.7Very high98.8Very high21 Ų2120.6 Ų20.614%0.13611%0.11CC..THydrogen-bonded Turntrans-64.5166.1-176.730.2-36.1000112.4F140 T145 D178 Y179 S182F140-P142 HydrophobicContact CD1-CG 4.29Å; F140-P142 HydrophobicContact CD2-CG 4.43Å; F140-P142 HydrophobicContact CE1-CB 4.3Å; F140-P142 HydrophobicContact CE1-CG 3.77Å; F140-P142 HydrophobicContact CE2-CB 3.72Å; F140-P142 HydrophobicContact CE2-CG 3.95Å; F140-P142 HydrophobicContact CZ-CB 3.61Å; F140-P142 HydrophobicContact CZ-CG 3.6Å; P142-T145 WeakPolarHBondContact CA-O 2.99Å; P142-D178 HydrophobicContact CB-CB 4.37Å; P142-D178 HydrophobicContact CG-CB 4.23Å; P142-D178 CarbonylContact O-C 3.5Å; P142-Y179 PolarHBondContact O-N 3.37Å; P142-S182 WeakPolarHBondContact CD-OG 3.49Å; P142-S182 VanDerWaalsContact N-OG 3.16Å; P142-S182 WeakPolarHBondContact O-CB 3.46Å; P142-S182 PolarHBondContact O-OG 2.79Å
143G98.2Very high98.8Very high3 Ų314.9 Ų14.93%0.0318%0.083CC..THydrogen-bonded Turntrans124.5-46.2174.400000111.2T145 F173 E174 D175G143-T145 PolarHBondContact N-O 3.32Å; G143-F173 CarbonylContact O-C 3.55Å; G143-F173 WeakPolarHBondContact O-CA 3.25Å; G143-F173 WeakPolarHBondContact O-CB 3.24Å; G143-E174 PolarHBondContact O-N 3.15Å; G143-D175 WeakPolarHBondContact CA-O 3.43Å; G143-D175 PolarHBondContact O-N 3.45Å
144H98.4Very high98.8Very high5 Ų518.2 Ų18.22%0.0239%0.09CC..SBendtrans-58.8-56.6165.4178.369.1000109.5H77 H79 H148 D163 V172 E174H77-H144 AromaticContact CD2-CD2 3.67Å; H77-H144 AromaticContact CD2-NE2 3.74Å; H77-H144 AromaticContact NE2-CD2 3.58Å; H77-H144 AromaticContact NE2-NE2 3.27Å; H77-H144 PolarHBondContact NE2-NE2 2.89Å; H79-H144 AromaticContact CE1-CD2 3.98Å; H79-H144 AromaticContact CE1-CE1 3.79Å; H79-H144 AromaticContact CE1-NE2 3.13Å; H79-H144 PolarHBondContact CE1-NE2 3.11Å; H79-H144 AromaticContact ND1-CD2 4Å; H79-H144 AromaticContact ND1-CE1 3.98Å; H79-H144 AromaticContact ND1-NE2 3.08Å; H79-H144 PolarHBondContact ND1-NE2 3.27Å; H144-H148 HydrophobicContact CB-CB 4.44Å; H144-H148 AromaticContact CD2-CD2 3.77Å; H144-D163 IonicContact CE1-OD2 2.77Å; H144-D163 WeakPolarHBondContact NE2-CB 3.42Å; H144-D163 IonicContact NE2-OD2 2.59Å; H144-V172 PolarHBondContact ND1-O 3.38Å; H144-E174 WeakPolarHBondContact O-CG 3.43Å; H144-E174 PolarHBondContact O-N 3.27Å
145T98.8Very high98.8Very high1 Ų121.8 Ų21.81%0.00611%0.107CC..SBendtrans-136.2164.9166.255.10000109.5H77 W78 H79 P142 G143 D147 H148 E174H77-T145 WeakPolarHBondContact CB-OG1 3.32Å; W78-T145 VanDerWaalsContact NE1-CG2 3.26Å; H79-T145 VanDerWaalsContact CE1-CG2 3.42Å; H79-T145 WeakPolarHBondContact CE1-CG2 3.29Å; P142-T145 WeakPolarHBondContact CA-O 2.99Å; G143-T145 PolarHBondContact N-O 3.32Å; T145-D147 VanDerWaalsContact CB-OD1 3.25Å; T145-D147 WeakPolarHBondContact CB-OD1 3.4Å; T145-D147 PolarHBondContact O-N 2.84Å; T145-D147 PolarHBondContact OG1-OD1 2.89Å; T145-H148 PolarHBondContact O-N 2.86Å; T145-H148 WeakPolarHBondContact OG1-CB 3.47Å; T145-E174 WeakPolarHBondContact CA-OE2 3.37Å
146D98.4Very high98.7Very high32 Ų3222 Ų2217%0.17111%0.106CC..THydrogen-bonded Turntrans-68.6-13.1-178.763.568.7000115.6R106 S107 F140 E174R106-D146 VanDerWaalsContact CA-OD1 3.24Å; R106-D146 WeakPolarHBondContact CA-OD1 3.4Å; R106-D146 WeakPolarHBondContact CD-OD1 3.24Å; R106-D146 IonicContact CZ-OD1 3.08Å; R106-D146 IonicContact CZ-OD2 3.08Å; R106-D146 VanDerWaalsContact NE-CG 3.31Å; R106-D146 IonicContact NE-OD1 2.93Å; R106-D146 PolarHBondContact NE-OD1 3.18Å; R106-D146 IonicContact NE-OD2 2.77Å; R106-D146 PolarHBondContact NE-OD2 3.34Å; R106-D146 VanDerWaalsContact NE-OD2 3.08Å; R106-D146 IonicContact NH2-OD1 3.46Å; R106-D146 IonicContact NH2-OD2 3.34Å; R106-D146 PolarHBondContact NH2-OD2 3.11Å; S107-D146 PolarHBondContact N-OD1 2.94Å; S107-D146 WeakPolarHBondContact O-CB 3.49Å; F140-D146 VanDerWaalsContact CE2-O 3.32Å; F140-D146 WeakPolarHBondContact CE2-O 3.21Å; F140-D146 WeakPolarHBondContact CZ-O 3.44Å; D146-E174 PolarHBondContact N-OE2 3.2Å
147D98.7Very high98.7Very high0 Ų027.8 Ų27.80%013%0.131CC..THydrogen-bonded Turntrans-115.49.5179.361.9-10.6000113.7W78 K103 L104 R106 T145 M149W78-D147 VanDerWaalsContact CB-OD2 3.3Å; W78-D147 WeakPolarHBondContact CB-OD2 3.34Å; W78-D147 PolarHBondContact N-OD2 3.2Å; K103-D147 WeakPolarHBondContact CE-OD2 3.5Å; K103-D147 IonicContact NZ-OD2 3.92Å; K103-D147 PolarHBondContact NZ-OD2 2.9Å; L104-D147 WeakPolarHBondContact CB-O 3.36Å; R106-D147 VanDerWaalsContact CD-CG 3.49Å; R106-D147 WeakPolarHBondContact CD-OD2 3.43Å; T145-D147 VanDerWaalsContact CB-OD1 3.25Å; T145-D147 WeakPolarHBondContact CB-OD1 3.4Å; T145-D147 PolarHBondContact O-N 2.84Å; T145-D147 PolarHBondContact OG1-OD1 2.89Å; D147-M149 PolarHBondContact O-N 2.81Å
148H98.9Very high98.7Very high0 Ų023.8 Ų23.80%011%0.114CC..  trans-63129.8-169.7-173.9-76.8000112H77 T141 H144 T145 S161 D163 C164H77-H148 HydrophobicContact CB-CB 4.38Å; H77-H148 AromaticContact CG-CD2 3.93Å; H77-H148 AromaticContact ND1-CD2 3.88Å; T141-H148 CarbonylContact C-O 3.27Å; T141-H148 PolarHBondContact N-O 3.18Å; T141-H148 WeakPolarHBondContact O-CB 3.35Å; T141-H148 PolarHBondContact O-ND1 3.23Å; T141-H148 PolarHBondContact OG1-ND1 2.9Å; T141-H148 PolarHBondContact OG1-O 3.4Å; H144-H148 HydrophobicContact CB-CB 4.44Å; H144-H148 AromaticContact CD2-CD2 3.77Å; T145-H148 PolarHBondContact O-N 2.86Å; T145-H148 WeakPolarHBondContact OG1-CB 3.47Å; H148-S161 PolarHBondContact CE1-O 3.45Å; H148-S161 PolarHBondContact NE2-O 2.62Å; H148-D163 PolarHBondContact NE2-N 2.9Å; H148-C164 PolarHBondContact NE2-N 2.64Å
149M98.9Very high98.7Very high0 Ų023.8 Ų23.80%011%0.114CC..EExtended strand (participates in β ladder)trans-114.7133.2178.5-171.2-163.6-61.100110.5I74 T76 L104 L123 V138 D147 L151I74-M149 HydrophobicContact CG2-CE 4.31Å; I74-M149 HydrophobicContact CG2-SD 3.86Å; T76-M149 VanDerWaalsContact O-CB 3.31Å; T76-M149 WeakPolarHBondContact O-CB 3.49Å; T76-M149 PolarHBondContact O-N 3.45Å; L104-M149 HydrophobicContact CB-CE 4.37Å; L104-M149 HydrophobicContact CD1-CB 3.78Å; L104-M149 HydrophobicContact CD1-CE 4.45Å; L104-M149 HydrophobicContact CD1-CG 4.04Å; L104-M149 HydrophobicContact CD2-CE 4.06Å; L104-M149 HydrophobicContact CG-CB 4.01Å; L104-M149 HydrophobicContact CG-CE 3.58Å; L104-M149 HydrophobicContact CG-CG 4.18Å; L123-M149 HydrophobicContact CB-CE 4.14Å; L123-M149 HydrophobicContact CD1-CE 3.62Å; L123-M149 HydrophobicContact CD1-SD 4.45Å; L123-M149 HydrophobicContact CG-CE 4.48Å; V138-M149 HydrophobicContact CG1-CE 4.1Å; V138-M149 HydrophobicContact CG1-CG 3.84Å; V138-M149 HydrophobicContact CG1-SD 3.88Å; V138-M149 HydrophobicContact CG2-SD 4.2Å; D147-M149 PolarHBondContact O-N 2.81Å; M149-L151 HydrophobicContact SD-CD1 4.47Å; M149-L151 HydrophobicContact SD-CD2 3.69Å; M149-L151 HydrophobicContact SD-CG 4.01Å
150A98.9Very high98.7Very high0 Ų023.3 Ų23.30%011%0.111CC..EExtended strand (participates in β ladder)trans-109.1156.6160.400000109.2L139 T141 I159 F160 L186L139-A150 WeakPolarHBondContact CA-O 3.46Å; L139-A150 HydrophobicContact CB-CB 4.34Å; L139-A150 PolarHBondContact N-O 3.02Å; L139-A150 PolarHBondContact O-N 2.88Å; T141-A150 HydrophobicContact CG2-CB 4.04Å; T141-A150 PolarHBondContact OG1-N 3.35Å; A150-I159 HydrophobicContact CB-CG2 4.27Å; A150-F160 CarbonylContact C-O 3.56Å; A150-F160 VanDerWaalsContact CA-O 3.27Å; A150-F160 WeakPolarHBondContact CA-O 3.41Å; A150-F160 WeakPolarHBondContact CB-O 3.41Å; A150-L186 HydrophobicContact CB-CD2 3.83Å
151L98.9Very high98.7Very high0 Ų019.8 Ų19.80%010%0.096CC..EExtended strand (participates in β ladder)trans-125.5135.9179.3-63.5154.3000109.9I45 I74 I129 L136 K137 V138 M149 I159 F160I45-L151 HydrophobicContact CD1-CD1 3.71Å; I45-L151 HydrophobicContact CG1-CD1 4.02Å; I45-L151 HydrophobicContact CG2-CD1 4.13Å; I74-L151 HydrophobicContact CB-CD1 4.46Å; I74-L151 HydrophobicContact CG2-CD1 3.89Å; I74-L151 HydrophobicContact CG2-CD2 4.45Å; I129-L151 HydrophobicContact CD1-CD2 3.94Å; L136-L151 HydrophobicContact CB-CD2 4.36Å; L136-L151 HydrophobicContact CD2-CB 4.34Å; K137-L151 CarbonylContact O-C 3.52Å; K137-L151 WeakPolarHBondContact O-CA 3.41Å; V138-L151 HydrophobicContact CG2-CD2 3.94Å; M149-L151 HydrophobicContact SD-CD1 4.47Å; M149-L151 HydrophobicContact SD-CD2 3.69Å; M149-L151 HydrophobicContact SD-CG 4.01Å; L151-I159 CarbonylContact O-C 3.53Å; L151-I159 VanDerWaalsContact O-CA 3.32Å; L151-I159 WeakPolarHBondContact O-CA 3.48Å; L151-F160 HydrophobicContact CB-CB 4.21Å; L151-F160 HydrophobicContact CB-CD2 4.18Å; L151-F160 PolarHBondContact N-O 3.21Å; L151-F160 PolarHBondContact O-N 3.44Å
152V98.9Very high98.7Very high21 Ų2119.9 Ų19.913%0.12710%0.097CC..EExtended strand (participates in β ladder)trans-98.5121.5170.8178.50000108.9L136 K137 L139 A158 I159L136-V152 CarbonylContact C-O 3.59Å; L136-V152 VanDerWaalsContact CA-O 3.31Å; L136-V152 WeakPolarHBondContact CA-O 2.89Å; K137-V152 HydrophobicContact CB-CB 4.37Å; K137-V152 PolarHBondContact N-O 3.38Å; K137-V152 PolarHBondContact O-N 2.93Å; L139-V152 HydrophobicContact CD1-CG2 3.47Å; L139-V152 VanDerWaalsContact CD1-CG2 3.47Å; L139-V152 HydrophobicContact CG-CG2 3.98Å; V152-A158 CarbonylContact C-O 3.57Å; V152-A158 WeakPolarHBondContact CA-O 3.22Å; V152-I159 HydrophobicContact CG2-CG1 4.3Å
153L98.9Very high98.7Very high0 Ų019.6 Ų19.60%09%0.094CC..EExtended strand (participates in β ladder)trans-84.6105.6166178.458.7000108.8R14 V15 V36 A134 L136 E155 E156 K157 A158 F160R14-L153 HydrophobicContact CB-CD2 4.41Å; V15-L153 HydrophobicContact CG2-CD2 3.79Å; V36-L153 HydrophobicContact CG1-CD1 4.18Å; V36-L153 HydrophobicContact CG1-CD2 4.4Å; A134-L153 HydrophobicContact CB-CD1 3.64Å; L136-L153 HydrophobicContact CD2-CB 4.05Å; L136-L153 HydrophobicContact CD2-CD1 4.13Å; L153-E155 WeakPolarHBondContact CD1-OE2 3.37Å; L153-E155 PolarHBondContact O-N 3.41Å; L153-E156 HydrophobicContact CD2-CB 3.91Å; L153-E156 HydrophobicContact CD2-CG 3.84Å; L153-E156 HydrophobicContact CG-CB 4.18Å; L153-E156 HydrophobicContact CG-CG 4.33Å; L153-E156 PolarHBondContact O-N 3.18Å; L153-K157 WeakPolarHBondContact O-CA 3.32Å; L153-K157 PolarHBondContact O-N 3.39Å; L153-A158 HydrophobicContact CB-CB 4.41Å; L153-A158 PolarHBondContact N-O 3.27Å; L153-A158 PolarHBondContact O-N 2.92Å; L153-F160 HydrophobicContact CB-CE2 3.98Å; L153-F160 HydrophobicContact CD2-CE2 4.37Å
154E98.6Very high98.7Very high102 Ų10219.4 Ų19.448%0.4779%0.092SC..G310 helixtrans-63.6-40.6-169.8-63.6-166.3157.800112.4T135 E156 K157T135-E154 HydrophobicContact CG2-CG 4.28Å; T135-E154 PolarHBondContact O-N 3.02Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 3.28Å; E154-K157 PolarHBondContact O-N 2.87Å
155E98.7Very high98.8Very high78 Ų7819.2 Ų19.236%0.3649%0.091SC..G310 helixtrans-67.7-25-176.2-65.287.8163.100114.1A134 T135 L153A134-E155 WeakPolarHBondContact CA-OE1 3.19Å; T135-E155 PolarHBondContact N-OE1 3.31Å; T135-E155 VanDerWaalsContact N-OE1 3.08Å; T135-E155 PolarHBondContact N-OE2 3.43Å; L153-E155 WeakPolarHBondContact CD1-OE2 3.37Å; L153-E155 PolarHBondContact O-N 3.41Å
156E98.6Very high98.7Very high29 Ų2919.8 Ų19.814%0.1369%0.094CC..G310 helixtrans-110.91.3-179-60-168.8175.900112.2S12 R14 L153 E154 A158 Y195S12-E156 WeakPolarHBondContact CB-OE1 3.41Å; S12-E156 VanDerWaalsContact CB-OE2 3.25Å; S12-E156 WeakPolarHBondContact CB-OE2 3.48Å; S12-E156 PolarHBondContact OG-OE1 2.8Å; S12-E156 PolarHBondContact OG-OE2 2.88Å; R14-E156 WeakPolarHBondContact CB-OE1 3.34Å; R14-E156 WeakPolarHBondContact CD-OE1 3.44Å; R14-E156 WeakPolarHBondContact CG-OE1 3.47Å; R14-E156 IonicContact NH1-OE1 2.95Å; R14-E156 PolarHBondContact NH1-OE1 3.15Å; L153-E156 HydrophobicContact CD2-CB 3.91Å; L153-E156 HydrophobicContact CD2-CG 3.84Å; L153-E156 HydrophobicContact CG-CB 4.18Å; L153-E156 HydrophobicContact CG-CG 4.33Å; L153-E156 PolarHBondContact O-N 3.18Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 3.28Å; E156-A158 HydrophobicContact CB-CB 4.1Å; E156-A158 PolarHBondContact O-N 3.38Å; E156-A158 VanDerWaalsContact O-N 3.14Å; E156-Y195 PolarHBondContact OE2-OH 2.82Å
157K98.2Very high98.7Very high122 Ų12218.8 Ų18.853%0.539%0.091SC..THydrogen-bonded Turntrans44.144.2-170.5-62.1-179177.5-178.40111.2L153 E154 A191 D192L153-K157 WeakPolarHBondContact O-CA 3.32Å; L153-K157 PolarHBondContact O-N 3.39Å; E154-K157 PolarHBondContact O-N 2.87Å; K157-A191 CarbonylContact O-C 3.51Å; K157-A191 WeakPolarHBondContact O-CA 3.46Å; K157-A191 VanDerWaalsContact O-CB 3.23Å; K157-A191 WeakPolarHBondContact O-CB 3.29Å; K157-D192 WeakPolarHBondContact CD-OD2 3.3Å; K157-D192 PolarHBondContact O-N 3.34Å
158A98.9Very high98.5Very high0 Ų021 Ų210%010%0.102CC..EExtended strand (participates in β ladder)trans-112.5148.8-174.300000110.6V152 L153 E156 L193 Y195V152-A158 CarbonylContact C-O 3.57Å; V152-A158 WeakPolarHBondContact CA-O 3.22Å; L153-A158 HydrophobicContact CB-CB 4.41Å; L153-A158 PolarHBondContact N-O 3.27Å; L153-A158 PolarHBondContact O-N 2.92Å; E156-A158 HydrophobicContact CB-CB 4.1Å; E156-A158 PolarHBondContact O-N 3.38Å; E156-A158 VanDerWaalsContact O-N 3.14Å; A158-L193 WeakPolarHBondContact CA-O 3.46Å; A158-L193 HydrophobicContact CB-CD2 3.99Å; A158-L193 HydrophobicContact CB-CG 3.89Å; A158-Y195 HydrophobicContact CB-CD2 3.91Å; A158-Y195 HydrophobicContact CB-CE2 3.56Å
159I98.9Very high98.2Very high0 Ų023.8 Ų23.80%013%0.13CC..EExtended strand (participates in β ladder)trans-108.3129174.8-65.6167.9000109.5A150 L151 V152 L186 S189 A191 L193 I194 Y195A150-I159 HydrophobicContact CB-CG2 4.27Å; L151-I159 CarbonylContact O-C 3.53Å; L151-I159 VanDerWaalsContact O-CA 3.32Å; L151-I159 WeakPolarHBondContact O-CA 3.48Å; V152-I159 HydrophobicContact CG2-CG1 4.3Å; I159-L186 HydrophobicContact CD1-CB 4.25Å; I159-L186 HydrophobicContact CD1-CD2 4.02Å; I159-L186 HydrophobicContact CG2-CD2 4.04Å; I159-S189 WeakPolarHBondContact CD1-OG 3.32Å; I159-A191 HydrophobicContact CD1-CB 3.48Å; I159-A191 VanDerWaalsContact CD1-CB 3.48Å; I159-A191 HydrophobicContact CG1-CB 3.52Å; I159-L193 PolarHBondContact N-O 3.29Å; I159-I194 HydrophobicContact CB-CG1 4.49Å; I159-I194 HydrophobicContact CB-CG2 4.45Å; I159-I194 CarbonylContact O-C 3.59Å; I159-I194 WeakPolarHBondContact O-CA 3.47Å; I159-I194 WeakPolarHBondContact O-CG2 3.44Å; I159-Y195 PolarHBondContact O-N 2.93Å
160F98.9Very high97.8Very high2 Ų226.9 Ų26.91%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-85.5105.2156.1-59.2-85.7000107.8V15 Y34 V36 I45 L136 A150 L151 L153 Y195V15-F160 HydrophobicContact CG1-CE1 4.02Å; V15-F160 HydrophobicContact CG1-CZ 4.16Å; V15-F160 HydrophobicContact CG2-CZ 3.85Å; Y34-F160 HydrophobicContact CD1-CD1 4.34Å; Y34-F160 AromaticContact CD1-CE1 3.86Å; Y34-F160 HydrophobicContact CD1-CE1 3.86Å; Y34-F160 AromaticContact CD2-CD1 3.69Å; Y34-F160 HydrophobicContact CD2-CD1 3.69Å; Y34-F160 AromaticContact CD2-CE1 3.96Å; Y34-F160 HydrophobicContact CD2-CE1 3.96Å; Y34-F160 HydrophobicContact CE1-CE1 4.43Å; Y34-F160 HydrophobicContact CE2-CD1 4.07Å; Y34-F160 AromaticContact CG-CD1 3.83Å; Y34-F160 HydrophobicContact CG-CD1 3.83Å; Y34-F160 AromaticContact CG-CE1 3.58Å; Y34-F160 HydrophobicContact CG-CE1 3.58Å; V36-F160 HydrophobicContact CG1-CZ 4.46Å; V36-F160 HydrophobicContact CG2-CE1 4.09Å; V36-F160 HydrophobicContact CG2-CE2 4Å; V36-F160 HydrophobicContact CG2-CZ 3.48Å; V36-F160 VanDerWaalsContact CG2-CZ 3.48Å; I45-F160 HydrophobicContact CD1-CB 4.15Å; I45-F160 HydrophobicContact CD1-CD1 3.73Å; I45-F160 HydrophobicContact CD1-CD2 3.53Å; I45-F160 HydrophobicContact CD1-CE1 3.97Å; I45-F160 HydrophobicContact CD1-CE2 3.75Å; I45-F160 HydrophobicContact CD1-CG 3.51Å; I45-F160 HydrophobicContact CD1-CZ 3.98Å; L136-F160 HydrophobicContact CD2-CD2 3.96Å; L136-F160 HydrophobicContact CD2-CE2 3.69Å; A150-F160 CarbonylContact C-O 3.56Å; A150-F160 VanDerWaalsContact CA-O 3.27Å; A150-F160 WeakPolarHBondContact CA-O 3.41Å; A150-F160 WeakPolarHBondContact CB-O 3.41Å; L151-F160 HydrophobicContact CB-CB 4.21Å; L151-F160 HydrophobicContact CB-CD2 4.18Å; L151-F160 PolarHBondContact N-O 3.21Å; L151-F160 PolarHBondContact O-N 3.44Å; L153-F160 HydrophobicContact CB-CE2 3.98Å; L153-F160 HydrophobicContact CD2-CE2 4.37Å; F160-Y195 VanDerWaalsContact CA-O 3.31Å; F160-Y195 WeakPolarHBondContact CA-O 3.15Å; F160-Y195 VanDerWaalsContact CD1-CB 3.45Å; F160-Y195 HydrophobicContact CD1-CD2 4.02Å; F160-Y195 HydrophobicContact CD1-CG 4.1Å; F160-Y195 AromaticContact CE1-CD2 3.55Å; F160-Y195 HydrophobicContact CE1-CD2 3.55Å; F160-Y195 HydrophobicContact CE1-CE2 4.42Å; F160-Y195 AromaticContact CE1-CG 3.81Å; F160-Y195 HydrophobicContact CE1-CG 3.81Å; F160-Y195 HydrophobicContact CE2-CD2 4.35Å; F160-Y195 AromaticContact CZ-CD2 3.74Å; F160-Y195 HydrophobicContact CZ-CD2 3.74Å; F160-Y195 HydrophobicContact CZ-CE2 4.29Å; F160-Y195 HydrophobicContact CZ-CG 4.45Å
161S98.9Very high97.4Very high0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-90.5-3.4-167.356.90000114.5H148 D163 C164 I165 I194 Y195 P196H148-S161 PolarHBondContact CE1-O 3.45Å; H148-S161 PolarHBondContact NE2-O 2.62Å; S161-D163 PolarHBondContact O-N 3.29Å; S161-C164 VanDerWaalsContact O-CB 3.3Å; S161-C164 WeakPolarHBondContact O-CB 3.22Å; S161-C164 PolarHBondContact O-N 3.06Å; S161-I165 PolarHBondContact OG-O 3.07Å; S161-I194 VanDerWaalsContact CB-CG2 3.45Å; S161-I194 WeakPolarHBondContact OG-CG2 3.41Å; S161-Y195 PolarHBondContact N-O 3.14Å; S161-Y195 VanDerWaalsContact N-O 3.16Å; S161-P196 WeakPolarHBondContact OG-CA 3.4Å
162G98.8Very high97.2Very high2 Ų230.8 Ų30.82%0.02117%0.173CC..EExtended strand (participates in β ladder)trans46.8-129.3-166.700000109.8G197G162-G197 WeakPolarHBondContact O-CA 3.31Å; G162-G197 PolarHBondContact O-N 3.37Å
163D98.8Very high97Very high14 Ų1430.5 Ų30.58%0.07517%0.171CC..THydrogen-bonded Turntrans-97.66.8-178.9-86.524.2000114.1H82 H144 H148 S161 I165 L166 A171 H198H82-D163 IonicContact CE1-OD1 2.65Å; H82-D163 PolarHBondContact CE1-OD1 2.99Å; H82-D163 IonicContact NE2-OD1 3.94Å; H82-D163 PolarHBondContact NE2-OD1 2.78Å; H82-D163 IonicContact NE2-OD2 3.11Å; H144-D163 IonicContact CE1-OD2 2.77Å; H144-D163 WeakPolarHBondContact NE2-CB 3.42Å; H144-D163 IonicContact NE2-OD2 2.59Å; H148-D163 PolarHBondContact NE2-N 2.9Å; S161-D163 PolarHBondContact O-N 3.29Å; D163-I165 VanDerWaalsContact C-N 3.35Å; D163-L166 HydrophobicContact CB-CD2 4.49Å; D163-A171 WeakPolarHBondContact O-CB 3.46Å; D163-H198 IonicContact OD1-CD2 3.67Å; D163-H198 PolarHBondContact OD1-CD2 2.72Å; D163-H198 IonicContact OD1-NE2 2.73Å; D163-H198 PolarHBondContact OD1-NE2 3.39Å; D163-H198 IonicContact OD2-CD2 2.65Å; D163-H198 IonicContact OD2-NE2 3.16Å; D163-H198 PolarHBondContact OD2-NE2 3.16Å
164C98.6Very high96.9Very high0 Ų034.4 Ų34.40%019%0.189CC..SBendtrans-65.5-41.1171.5-166.20000111.1H148 S161 Y179 L186H148-C164 PolarHBondContact NE2-N 2.64Å; S161-C164 VanDerWaalsContact O-CB 3.3Å; S161-C164 WeakPolarHBondContact O-CB 3.22Å; S161-C164 PolarHBondContact O-N 3.06Å; C164-Y179 WeakPolarHBondContact O-CE2 3.22Å; C164-Y179 PolarHBondContact O-OH 3.49Å; C164-L186 HydrophobicContact CB-CD1 4.24Å
165I98.7Very high96.9Very high0 Ų030.8 Ų30.80%017%0.173CC..SBendtrans-135.7132.4177.5-59171.8000108.7S161 D163 L183 L186 I194 P196 K208 I209 Y212S161-I165 PolarHBondContact OG-O 3.07Å; D163-I165 VanDerWaalsContact C-N 3.35Å; I165-L183 HydrophobicContact CD1-CD2 3.97Å; I165-L183 HydrophobicContact CG1-CD2 3.82Å; I165-L186 HydrophobicContact CD1-CD1 3.72Å; I165-L186 HydrophobicContact CG1-CD1 4.27Å; I165-I194 HydrophobicContact CB-CD1 4.46Å; I165-I194 HydrophobicContact CD1-CD1 3.85Å; I165-I194 HydrophobicContact CG2-CD1 4.01Å; I165-P196 VanDerWaalsContact O-CB 3.25Å; I165-P196 WeakPolarHBondContact O-CB 3.15Å; I165-K208 HydrophobicContact CG2-CG 3.88Å; I165-I209 HydrophobicContact CD1-CB 4.44Å; I165-I209 HydrophobicContact CD1-CD1 4.33Å; I165-I209 HydrophobicContact CD1-CG1 3.42Å; I165-I209 VanDerWaalsContact CD1-CG1 3.42Å; I165-Y212 HydrophobicContact CB-CE1 4.45Å; I165-Y212 HydrophobicContact CG1-CD1 4.37Å; I165-Y212 HydrophobicContact CG1-CE1 4.37Å; I165-Y212 HydrophobicContact CG2-CE1 4.34Å
166L98.6Very high96.8Very high13 Ų1327.2 Ų27.27%0.06816%0.156CC..  trans-107.4153.5-178.2-54.5-176.1000110.5D163 E168 A171 H198 K208 Y212D163-L166 HydrophobicContact CB-CD2 4.49Å; L166-E168 WeakPolarHBondContact CB-O 3.43Å; L166-A171 HydrophobicContact CD1-CB 4.39Å; L166-A171 HydrophobicContact CG-CB 4.17Å; L166-H198 HydrophobicContact CD2-CB 4.26Å; L166-K208 WeakPolarHBondContact O-CE 3.42Å; L166-K208 PolarHBondContact O-NZ 3.49Å; L166-K208 VanDerWaalsContact O-NZ 3.1Å; L166-Y212 PolarHBondContact N-OH 3.38Å; L166-Y212 VanDerWaalsContact N-OH 3.13Å
167G97.9Very high96.8Very high11 Ų1128.9 Ų28.911%0.11316%0.161CC..SBendtrans-63.4-42.3176.300000112.3H198 P200 K208G167-H198 PolarHBondContact N-O 3.44Å; G167-P200 WeakPolarHBondContact CA-O 3.41Å; G167-K208 PolarHBondContact O-NZ 3.18Å
168E94.8Very high96.8Very high48 Ų4825.5 Ų25.522%0.22415%0.149CC..SBendtrans-123.5150.6178.2-76.4171.8-112.900110.7S2 A3 L28 Q29 L166 P200S2-E168 VanDerWaalsContact CA-OE2 3.31Å; S2-E168 WeakPolarHBondContact CA-OE2 3.34Å; S2-E168 WeakPolarHBondContact CB-OE2 3.13Å; S2-E168 PolarHBondContact OG-OE1 3.13Å; S2-E168 PolarHBondContact OG-OE2 3.3Å; A3-E168 WeakPolarHBondContact CB-OE1 3.48Å; A3-E168 PolarHBondContact N-OE1 3.05Å; L28-E168 HydrophobicContact CD1-CB 4.11Å; Q29-E168 PolarHBondContact NE2-OE1 3.5Å; L166-E168 WeakPolarHBondContact CB-O 3.43Å; E168-P200 HydrophobicContact CG-CG 3.94Å; E168-P200 WeakPolarHBondContact OE1-CD 3.41Å
169G91.9Very high96.8Very high57 Ų5725.5 Ų25.559%0.58815%0.149SC*.SBendtrans68.2-149.5179.200000113.9Y212G169-Y212 PolarHBondContact O-OH 3.37Å
170T89.4Confident96.8Very high66 Ų6626.6 Ų26.641%0.40516%0.155SC..  trans-133147.8178.967.10000110.6Y212T170-Y212 WeakPolarHBondContact CA-OH 3.39Å
171A92.1Very high96.8Very high5 Ų531.2 Ų31.24%0.04118%0.175CC..  trans-75.9157.2175.900000113D163 L166 Y212 R216D163-A171 WeakPolarHBondContact O-CB 3.46Å; L166-A171 HydrophobicContact CD1-CB 4.39Å; L166-A171 HydrophobicContact CG-CB 4.17Å; A171-Y212 HydrophobicContact CB-CE1 4.28Å; A171-R216 PolarHBondContact O-NH2 2.89Å; A171-R216 VanDerWaalsContact O-NH2 3.13Å
172V93.2Very high96.8Very high76 Ų7631.3 Ų31.346%0.46118%0.175SC..  trans-92.4164.8164.9-63.10000110.4M26 H144M26-V172 HydrophobicContact CE-CG1 4.02Å; M26-V172 HydrophobicContact CE-CG2 3.73Å; H144-V172 PolarHBondContact ND1-O 3.38Å
173F96Very high96.8Very high16 Ų1631.2 Ų31.27%0.0717%0.174CC..  trans-156.5148.8-178.241.6-99.3000111.8G143 L176 Y179 H262G143-F173 CarbonylContact O-C 3.55Å; G143-F173 WeakPolarHBondContact O-CA 3.25Å; G143-F173 WeakPolarHBondContact O-CB 3.24Å; F173-L176 HydrophobicContact CD2-CB 4.04Å; F173-L176 HydrophobicContact CD2-CD1 4.37Å; F173-L176 HydrophobicContact CE1-CD1 4.08Å; F173-L176 HydrophobicContact CE2-CB 3.71Å; F173-L176 HydrophobicContact CE2-CD1 3.76Å; F173-L176 HydrophobicContact CE2-CG 4.19Å; F173-L176 HydrophobicContact CZ-CB 4.43Å; F173-L176 HydrophobicContact CZ-CD1 3.6Å; F173-L176 HydrophobicContact CZ-CG 4.44Å; F173-Y179 HydrophobicContact CB-CD2 4.07Å; F173-Y179 HydrophobicContact CB-CG 4.06Å; F173-Y179 AromaticContact CD1-CD1 3.69Å; F173-Y179 HydrophobicContact CD1-CD1 3.69Å; F173-Y179 HydrophobicContact CD1-CD2 4.31Å; F173-Y179 AromaticContact CD1-CE1 3.78Å; F173-Y179 HydrophobicContact CD1-CE1 3.78Å; F173-Y179 HydrophobicContact CD1-CE2 4.4Å; F173-Y179 AromaticContact CD1-CG 3.96Å; F173-Y179 HydrophobicContact CD1-CG 3.96Å; F173-Y179 HydrophobicContact CE1-CD1 4.11Å; F173-Y179 HydrophobicContact CE1-CE1 4.09Å; F173-Y179 HydrophobicContact CG-CD1 4.22Å; F173-Y179 HydrophobicContact CG-CD2 4.48Å; F173-Y179 HydrophobicContact CG-CG 4.1Å; F173-H262 HydrophobicContact CD2-CB 4.28Å; F173-H262 HydrophobicContact CE2-CB 3.68Å; F173-H262 AromaticContact CE2-CG 3.86Å; F173-H262 PolarHBondContact O-CE1 2.89Å; F173-H262 PolarHBondContact O-NE2 3.26Å
174E96.8Very high96.8Very high82 Ų8234.4 Ų34.438%0.38319%0.189SC..SBendtrans-76.3-38.1171.9-70.1174.617000111.6G143 H144 T145 D146 H262G143-E174 PolarHBondContact O-N 3.15Å; H144-E174 WeakPolarHBondContact O-CG 3.43Å; H144-E174 PolarHBondContact O-N 3.27Å; T145-E174 WeakPolarHBondContact CA-OE2 3.37Å; D146-E174 PolarHBondContact N-OE2 3.2Å; E174-H262 PolarHBondContact O-CE1 3.23Å; E174-H262 PolarHBondContact O-ND1 2.83Å
175D97.7Very high96.8Very high26 Ų2637.5 Ų37.514%0.13920%0.204CC..  trans-137.6114.6-177.7-168.1-91.6000113G143 Y177 D178 Y179 K269G143-D175 WeakPolarHBondContact CA-O 3.43Å; G143-D175 PolarHBondContact O-N 3.45Å; D175-Y177 PolarHBondContact O-N 3.33Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.33Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.11Å; D175-Y177 PolarHBondContact OD1-N 3.06Å; D175-D178 HydrophobicContact CB-CB 4.46Å; D175-D178 PolarHBondContact OD1-N 3.35Å; D175-Y179 WeakPolarHBondContact O-CB 3.41Å; D175-Y179 PolarHBondContact O-N 3.29Å; D175-K269 IonicContact OD1-NZ 2.72Å; D175-K269 PolarHBondContact OD1-NZ 3.14Å; D175-K269 VanDerWaalsContact OD1-NZ 3.14Å; D175-K269 IonicContact OD2-NZ 3.33Å; D175-K269 PolarHBondContact OD2-NZ 3Å
176L98Very high96.8Very high2 Ų237.5 Ų37.51%0.0120%0.204CC..Hα-helixtrans-71.1-29.3-177.9-178.363.1000112.9F173 Y179 M180 R216 H262 H263 K266F173-L176 HydrophobicContact CD2-CB 4.04Å; F173-L176 HydrophobicContact CD2-CD1 4.37Å; F173-L176 HydrophobicContact CE1-CD1 4.08Å; F173-L176 HydrophobicContact CE2-CB 3.71Å; F173-L176 HydrophobicContact CE2-CD1 3.76Å; F173-L176 HydrophobicContact CE2-CG 4.19Å; F173-L176 HydrophobicContact CZ-CB 4.43Å; F173-L176 HydrophobicContact CZ-CD1 3.6Å; F173-L176 HydrophobicContact CZ-CG 4.44Å; L176-Y179 HydrophobicContact CD1-CD1 4.13Å; L176-M180 HydrophobicContact CD1-CG 3.79Å; L176-M180 HydrophobicContact CD1-SD 4.23Å; L176-M180 HydrophobicContact CG-CG 4.11Å; L176-M180 WeakPolarHBondContact O-CB 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 2.7Å; L176-R216 HydrophobicContact CD1-CB 4.35Å; L176-R216 HydrophobicContact CD1-CG 4.11Å; L176-H262 HydrophobicContact CB-CB 4.05Å; L176-H263 HydrophobicContact CD2-CB 4.34Å; L176-H263 VanDerWaalsContact CD2-CE1 3.41Å; L176-H263 WeakPolarHBondContact CD2-CE1 3.34Å; L176-H263 VanDerWaalsContact CD2-ND1 3.3Å; L176-H263 WeakPolarHBondContact CD2-ND1 3.27Å; L176-K266 HydrophobicContact CB-CB 4.3Å; L176-K266 HydrophobicContact CB-CD 4.35Å; L176-K266 HydrophobicContact CD2-CB 4.39Å; L176-K266 HydrophobicContact CD2-CD 3.94Å; L176-K266 HydrophobicContact CG-CB 4.49Å; L176-K266 HydrophobicContact CG-CD 3.78Å
177Y98.3Very high96.8Very high64 Ų6438.7 Ų38.725%0.25121%0.211SC..Hα-helixtrans-67.5-48.9-178.4175.9-97.4000110.4D175 M180 K181 K266 K269 E270D175-Y177 PolarHBondContact O-N 3.33Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.33Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.11Å; D175-Y177 PolarHBondContact OD1-N 3.06Å; Y177-M180 PolarHBondContact O-N 3.43Å; Y177-K181 HydrophobicContact CE1-CD 4.12Å; Y177-K181 PolarHBondContact O-N 3.29Å; Y177-K181 WeakPolarHBondContact OH-CE 3.44Å; Y177-K181 PolarHBondContact OH-NZ 3.34Å; Y177-K266 HydrophobicContact CD2-CG 4.13Å; Y177-K269 HydrophobicContact CD1-CD 4.24Å; Y177-K269 HydrophobicContact CG-CD 4.14Å; Y177-E270 HydrophobicContact CD2-CG 3.93Å; Y177-E270 HydrophobicContact CE2-CG 3.75Å
178D98.4Very high96.8Very high52 Ų5243.2 Ų43.228%0.27823%0.233SC..Hα-helixtrans-68.4-39.7176.2-65.4-35.9000111.1P142 D175 M180 K181 S182 K269P142-D178 HydrophobicContact CB-CB 4.37Å; P142-D178 HydrophobicContact CG-CB 4.23Å; P142-D178 CarbonylContact O-C 3.5Å; D175-D178 HydrophobicContact CB-CB 4.46Å; D175-D178 PolarHBondContact OD1-N 3.35Å; D178-M180 PolarHBondContact O-N 3.18Å; D178-K181 WeakPolarHBondContact O-CB 3.01Å; D178-K181 PolarHBondContact O-N 3.33Å; D178-K181 VanDerWaalsContact O-N 3.14Å; D178-S182 PolarHBondContact O-N 3.23Å; D178-S182 PolarHBondContact O-OG 3.32Å; D178-S182 VanDerWaalsContact O-OG 3.14Å; D178-K269 IonicContact OD2-NZ 2.79Å
179Y98.6Very high96.9Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-57.9-44.4175.8-176.1-106.5000112.8P142 C164 F173 D175 L176 K181 S182 L183 Y212P142-Y179 PolarHBondContact O-N 3.37Å; C164-Y179 WeakPolarHBondContact O-CE2 3.22Å; C164-Y179 PolarHBondContact O-OH 3.49Å; F173-Y179 HydrophobicContact CB-CD2 4.07Å; F173-Y179 HydrophobicContact CB-CG 4.06Å; F173-Y179 AromaticContact CD1-CD1 3.69Å; F173-Y179 HydrophobicContact CD1-CD1 3.69Å; F173-Y179 HydrophobicContact CD1-CD2 4.31Å; F173-Y179 AromaticContact CD1-CE1 3.78Å; F173-Y179 HydrophobicContact CD1-CE1 3.78Å; F173-Y179 HydrophobicContact CD1-CE2 4.4Å; F173-Y179 AromaticContact CD1-CG 3.96Å; F173-Y179 HydrophobicContact CD1-CG 3.96Å; F173-Y179 HydrophobicContact CE1-CD1 4.11Å; F173-Y179 HydrophobicContact CE1-CE1 4.09Å; F173-Y179 HydrophobicContact CG-CD1 4.22Å; F173-Y179 HydrophobicContact CG-CD2 4.48Å; F173-Y179 HydrophobicContact CG-CG 4.1Å; D175-Y179 WeakPolarHBondContact O-CB 3.41Å; D175-Y179 PolarHBondContact O-N 3.29Å; L176-Y179 HydrophobicContact CD1-CD1 4.13Å; Y179-K181 VanDerWaalsContact C-N 3.33Å; Y179-K181 PolarHBondContact O-N 3.43Å; Y179-S182 WeakPolarHBondContact O-CB 3.37Å; Y179-S182 PolarHBondContact O-N 3.29Å; Y179-L183 HydrophobicContact CD1-CD1 4.03Å; Y179-L183 HydrophobicContact CD1-CG 4.37Å; Y179-L183 HydrophobicContact CE1-CD1 3.6Å; Y179-L183 HydrophobicContact CE1-CD2 4.42Å; Y179-L183 HydrophobicContact CE1-CG 4.07Å; Y179-L183 WeakPolarHBondContact O-CG 3.44Å; Y179-L183 PolarHBondContact O-N 3.04Å; Y179-Y212 WeakPolarHBondContact OH-CD1 3.3Å; Y179-Y212 VanDerWaalsContact OH-CE1 3.26Å; Y179-Y212 WeakPolarHBondContact OH-CE1 3.35Å
180M98.6Very high97.1Very high23 Ų2347.9 Ų47.911%0.11324%0.244CC..Hα-helixtrans-66.3-34.5178.1-71.6-65.2-66.400112.5L176 Y177 D178 L183 Q184 I213 R216 N217 K266L176-M180 HydrophobicContact CD1-CG 3.79Å; L176-M180 HydrophobicContact CD1-SD 4.23Å; L176-M180 HydrophobicContact CG-CG 4.11Å; L176-M180 WeakPolarHBondContact O-CB 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 2.7Å; Y177-M180 PolarHBondContact O-N 3.43Å; D178-M180 PolarHBondContact O-N 3.18Å; M180-L183 HydrophobicContact SD-CD1 4.07Å; M180-Q184 PolarHBondContact O-N 3.03Å; M180-I213 HydrophobicContact CE-CB 4.29Å; M180-I213 HydrophobicContact CE-CG1 4.44Å; M180-I213 HydrophobicContact CE-CG2 3.88Å; M180-R216 HydrophobicContact CE-CB 4.25Å; M180-R216 HydrophobicContact SD-CB 3.63Å; M180-R216 HydrophobicContact SD-CG 3.9Å; M180-N217 VanDerWaalsContact CE-OD1 3.29Å; M180-N217 WeakPolarHBondContact CE-OD1 3.49Å; M180-K266 HydrophobicContact CG-CD 4.4Å
181K98.6Very high97.5Very high99 Ų9945.4 Ų45.443%0.4323%0.229SC..Hα-helixtrans-66.1-41.6171.5-71.5-179.4176.4-179.60111.5Y177 D178 Y179 Q184 I185Y177-K181 HydrophobicContact CE1-CD 4.12Å; Y177-K181 PolarHBondContact O-N 3.29Å; Y177-K181 WeakPolarHBondContact OH-CE 3.44Å; Y177-K181 PolarHBondContact OH-NZ 3.34Å; D178-K181 WeakPolarHBondContact O-CB 3.01Å; D178-K181 PolarHBondContact O-N 3.33Å; D178-K181 VanDerWaalsContact O-N 3.14Å; Y179-K181 VanDerWaalsContact C-N 3.33Å; Y179-K181 PolarHBondContact O-N 3.43Å; K181-Q184 WeakPolarHBondContact O-CB 3.34Å; K181-Q184 PolarHBondContact O-N 3.32Å; K181-Q184 VanDerWaalsContact O-N 3.11Å; K181-I185 WeakPolarHBondContact O-CG1 3.48Å; K181-I185 PolarHBondContact O-N 2.96Å
182S98.8Very high97.8Very high1 Ų149.5 Ų49.51%0.00725%0.251CS..Hα-helixtrans-61.8-42.3176.4-65.50000112.1T141 P142 D178 Y179 Q184 I185 L186T141-S182 WeakPolarHBondContact CA-OG 3.45Å; T141-S182 PolarHBondContact O-OG 3.5Å; P142-S182 WeakPolarHBondContact CD-OG 3.49Å; P142-S182 VanDerWaalsContact N-OG 3.16Å; P142-S182 WeakPolarHBondContact O-CB 3.46Å; P142-S182 PolarHBondContact O-OG 2.79Å; D178-S182 PolarHBondContact O-N 3.23Å; D178-S182 PolarHBondContact O-OG 3.32Å; D178-S182 VanDerWaalsContact O-OG 3.14Å; Y179-S182 WeakPolarHBondContact O-CB 3.37Å; Y179-S182 PolarHBondContact O-N 3.29Å; S182-Q184 VanDerWaalsContact C-N 3.26Å; S182-Q184 PolarHBondContact O-N 3.12Å; S182-I185 WeakPolarHBondContact O-CB 3.35Å; S182-I185 PolarHBondContact O-N 2.9Å; S182-L186 WeakPolarHBondContact O-CG 3.38Å; S182-L186 PolarHBondContact O-N 2.87Å
183L98.8Very high98.1Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-59.7-37.4172.6-68179.1000112.2I165 Y179 M180 L186 L187 I209 Y212 I213I165-L183 HydrophobicContact CD1-CD2 3.97Å; I165-L183 HydrophobicContact CG1-CD2 3.82Å; Y179-L183 HydrophobicContact CD1-CD1 4.03Å; Y179-L183 HydrophobicContact CD1-CG 4.37Å; Y179-L183 HydrophobicContact CE1-CD1 3.6Å; Y179-L183 HydrophobicContact CE1-CD2 4.42Å; Y179-L183 HydrophobicContact CE1-CG 4.07Å; Y179-L183 WeakPolarHBondContact O-CG 3.44Å; Y179-L183 PolarHBondContact O-N 3.04Å; M180-L183 HydrophobicContact SD-CD1 4.07Å; L183-L186 PolarHBondContact O-N 3.35Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 PolarHBondContact O-N 3.27Å; L183-I209 HydrophobicContact CB-CG2 4.4Å; L183-I209 VanDerWaalsContact O-CG2 3.29Å; L183-I209 WeakPolarHBondContact O-CG2 3.41Å; L183-Y212 HydrophobicContact CD2-CD1 4.24Å; L183-I213 HydrophobicContact CB-CD1 4.08Å; L183-I213 HydrophobicContact CB-CG1 3.77Å; L183-I213 HydrophobicContact CD1-CG1 3.93Å
184Q98.6Very high98.2Very high82 Ų8246.5 Ų46.538%0.38323%0.233SC..Hα-helixtrans-67.4-42.3175-169.361.853.600111.9M180 K181 S182 L186 L187 D188M180-Q184 PolarHBondContact O-N 3.03Å; K181-Q184 WeakPolarHBondContact O-CB 3.34Å; K181-Q184 PolarHBondContact O-N 3.32Å; K181-Q184 VanDerWaalsContact O-N 3.11Å; S182-Q184 VanDerWaalsContact C-N 3.26Å; S182-Q184 PolarHBondContact O-N 3.12Å; Q184-L186 VanDerWaalsContact C-N 3.29Å; Q184-L186 PolarHBondContact O-N 3.18Å; Q184-L187 WeakPolarHBondContact O-CB 3.36Å; Q184-L187 PolarHBondContact O-N 2.98Å; Q184-L187 VanDerWaalsContact O-N 3.12Å; Q184-D188 PolarHBondContact NE2-OD1 3.11Å; Q184-D188 WeakPolarHBondContact O-CB 3.47Å; Q184-D188 PolarHBondContact O-N 3.23Å
185I98.6Very high98.3Very high64 Ų6442.9 Ų42.933%0.32822%0.215SC..Hα-helixtrans-56.9-44.4174.2-67.8166.9000110.8L139 K181 S182 D188 S189L139-I185 HydrophobicContact CD1-CG2 4.4Å; K181-I185 WeakPolarHBondContact O-CG1 3.48Å; K181-I185 PolarHBondContact O-N 2.96Å; S182-I185 WeakPolarHBondContact O-CB 3.35Å; S182-I185 PolarHBondContact O-N 2.9Å; I185-D188 PolarHBondContact O-N 3Å; I185-S189 PolarHBondContact O-N 3.44Å; I185-S189 VanDerWaalsContact O-N 3.15Å
186L98.7Very high98.4Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-68.2-34.1177.7-64.1179.3000112.3L139 T141 A150 I159 C164 I165 S182 L183 Q184 S189 I209L139-L186 HydrophobicContact CD1-CD2 4.05Å; T141-L186 HydrophobicContact CG2-CD2 3.91Å; T141-L186 HydrophobicContact CG2-CG 4.13Å; A150-L186 HydrophobicContact CB-CD2 3.83Å; I159-L186 HydrophobicContact CD1-CB 4.25Å; I159-L186 HydrophobicContact CD1-CD2 4.02Å; I159-L186 HydrophobicContact CG2-CD2 4.04Å; C164-L186 HydrophobicContact CB-CD1 4.24Å; I165-L186 HydrophobicContact CD1-CD1 3.72Å; I165-L186 HydrophobicContact CG1-CD1 4.27Å; S182-L186 WeakPolarHBondContact O-CG 3.38Å; S182-L186 PolarHBondContact O-N 2.87Å; L183-L186 PolarHBondContact O-N 3.35Å; Q184-L186 VanDerWaalsContact C-N 3.29Å; Q184-L186 PolarHBondContact O-N 3.18Å; L186-S189 PolarHBondContact O-N 2.72Å; L186-S189 PolarHBondContact O-OG 3.26Å; L186-I209 HydrophobicContact CB-CD1 4.18Å
187L98.4Very high98.4Very high39 Ų3941.6 Ų41.620%0.20421%0.209CC..Hα-helixtrans-66.6-42.7174.5-169.263.4000111.2L183 Q184 S189 Q190 I209 Q210 I213L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 PolarHBondContact O-N 3.27Å; Q184-L187 WeakPolarHBondContact O-CB 3.36Å; Q184-L187 PolarHBondContact O-N 2.98Å; Q184-L187 VanDerWaalsContact O-N 3.12Å; L187-S189 PolarHBondContact O-N 2.95Å; L187-Q190 PolarHBondContact O-N 2.7Å; L187-Q190 VanDerWaalsContact O-N 3.17Å; L187-I209 HydrophobicContact CB-CG2 3.81Å; L187-I209 HydrophobicContact CD1-CB 4.09Å; L187-I209 HydrophobicContact CD1-CG2 3.99Å; L187-I209 HydrophobicContact CG-CG2 4.4Å; L187-Q210 HydrophobicContact CD1-CG 3.97Å; L187-Q210 HydrophobicContact CD2-CG 4.27Å; L187-I213 HydrophobicContact CD2-CD1 4.17Å
188D98.1Very high98.4Very high106 Ų10638.6 Ų38.657%0.56720%0.197SC*.Hα-helixtrans-70.7-17.8-178.4-65.2-15.3000112.4Q184 I185 Q190Q184-D188 PolarHBondContact NE2-OD1 3.11Å; Q184-D188 WeakPolarHBondContact O-CB 3.47Å; Q184-D188 PolarHBondContact O-N 3.23Å; I185-D188 PolarHBondContact O-N 3Å; D188-Q190 PolarHBondContact O-N 2.68Å
189S96.6Very high98.4Very high41 Ų4136.1 Ų36.129%0.28718%0.184SC..THydrogen-bonded Turntrans-72.7-9.9173.485.30000113.3I159 I185 L186 L187 A191I159-S189 WeakPolarHBondContact CD1-OG 3.32Å; I185-S189 PolarHBondContact O-N 3.44Å; I185-S189 VanDerWaalsContact O-N 3.15Å; L186-S189 PolarHBondContact O-N 2.72Å; L186-S189 PolarHBondContact O-OG 3.26Å; L187-S189 PolarHBondContact O-N 2.95Å; S189-A191 PolarHBondContact O-N 2.69Å; S189-A191 VanDerWaalsContact O-N 3.16Å
190Q97.1Very high98.4Very high162 Ų16237.6 Ų37.676%0.75719%0.194SC*.THydrogen-bonded Turntrans50.241.4175.8-58.3-174.5-41.100113.5L187 D188L187-Q190 PolarHBondContact O-N 2.7Å; L187-Q190 VanDerWaalsContact O-N 3.17Å; D188-Q190 PolarHBondContact O-N 2.68Å
191A98.2Very high98.4Very high13 Ų1337.9 Ų37.911%0.10720%0.196CC..  trans-68.2149.5176.100000111.3K157 I159 S189 A205K157-A191 CarbonylContact O-C 3.51Å; K157-A191 WeakPolarHBondContact O-CA 3.46Å; K157-A191 VanDerWaalsContact O-CB 3.23Å; K157-A191 WeakPolarHBondContact O-CB 3.29Å; I159-A191 HydrophobicContact CD1-CB 3.48Å; I159-A191 VanDerWaalsContact CD1-CB 3.48Å; I159-A191 HydrophobicContact CG1-CB 3.52Å; S189-A191 PolarHBondContact O-N 2.69Å; S189-A191 VanDerWaalsContact O-N 3.16Å; A191-A205 HydrophobicContact CB-CB 4.25Å; A191-A205 WeakPolarHBondContact O-CB 3.22Å
192D98.3Very high98.4Very high92 Ų9233.9 Ų33.949%0.49218%0.18SC..SBendtrans-81.5-41.9175.9-66.7-32.6000110.1K157 A205K157-D192 WeakPolarHBondContact CD-OD2 3.3Å; K157-D192 PolarHBondContact O-N 3.34Å; D192-A205 PolarHBondContact O-N 3.37Å; D192-A205 VanDerWaalsContact O-N 3.17Å
193L98.4Very high98.4Very high28 Ų2841 Ų4115%0.14721%0.213CC..EExtended strand (participates in β ladder)trans-139.9165.4-177.867.9150.5000113.8A158 I159 Y195 V201 V202A158-L193 WeakPolarHBondContact CA-O 3.46Å; A158-L193 HydrophobicContact CB-CD2 3.99Å; A158-L193 HydrophobicContact CB-CG 3.89Å; I159-L193 PolarHBondContact N-O 3.29Å; L193-Y195 HydrophobicContact CD1-CE1 3.82Å; L193-Y195 HydrophobicContact CD1-CE2 4.06Å; L193-Y195 WeakPolarHBondContact CD1-OH 3.47Å; L193-V201 HydrophobicContact CD1-CG1 3.89Å; L193-V202 CarbonylContact C-O 3.54Å; L193-V202 VanDerWaalsContact CA-O 3.28Å; L193-V202 WeakPolarHBondContact CA-O 3.36Å; L193-V202 VanDerWaalsContact CB-O 3.25Å; L193-V202 WeakPolarHBondContact CB-O 3.33Å
194I98.9Very high98.4Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-126131.7177.9-48.6174000110.6I159 S161 I165 P196 V202 A205 I209I159-I194 HydrophobicContact CB-CG1 4.49Å; I159-I194 HydrophobicContact CB-CG2 4.45Å; I159-I194 CarbonylContact O-C 3.59Å; I159-I194 WeakPolarHBondContact O-CA 3.47Å; I159-I194 WeakPolarHBondContact O-CG2 3.44Å; S161-I194 VanDerWaalsContact CB-CG2 3.45Å; S161-I194 WeakPolarHBondContact OG-CG2 3.41Å; I165-I194 HydrophobicContact CB-CD1 4.46Å; I165-I194 HydrophobicContact CD1-CD1 3.85Å; I165-I194 HydrophobicContact CG2-CD1 4.01Å; I194-P196 VanDerWaalsContact O-CD 3.3Å; I194-P196 WeakPolarHBondContact O-CD 3.19Å; I194-V202 HydrophobicContact CB-CB 3.97Å; I194-V202 HydrophobicContact CB-CG2 4.37Å; I194-V202 HydrophobicContact CG1-CB 4.46Å; I194-V202 PolarHBondContact N-O 3.43Å; I194-V202 PolarHBondContact O-N 3.23Å; I194-A205 HydrophobicContact CD1-CB 3.88Å; I194-A205 HydrophobicContact CG1-CB 3.52Å; I194-I209 HydrophobicContact CD1-CD1 4.21Å; I194-I209 HydrophobicContact CD1-CG1 4.07Å
195Y98.9Very high98.3Very high6 Ų641.3 Ų41.32%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-98.494.5166.6-63.4-58.5000109.2L11 V15 Y34 E156 A158 I159 F160 S161 L193 V201L11-Y195 HydrophobicContact CB-CE1 4.02Å; L11-Y195 HydrophobicContact CD1-CD1 3.78Å; L11-Y195 HydrophobicContact CD1-CE1 3.72Å; V15-Y195 HydrophobicContact CB-CE2 4.39Å; V15-Y195 HydrophobicContact CG1-CE1 4.35Å; V15-Y195 HydrophobicContact CG1-CE2 4.33Å; V15-Y195 HydrophobicContact CG2-CE2 3.85Å; Y34-Y195 HydrophobicContact CE1-CD1 4.2Å; Y34-Y195 HydrophobicContact CE1-CG 4.27Å; E156-Y195 PolarHBondContact OE2-OH 2.82Å; A158-Y195 HydrophobicContact CB-CD2 3.91Å; A158-Y195 HydrophobicContact CB-CE2 3.56Å; I159-Y195 PolarHBondContact O-N 2.93Å; F160-Y195 VanDerWaalsContact CA-O 3.31Å; F160-Y195 WeakPolarHBondContact CA-O 3.15Å; F160-Y195 VanDerWaalsContact CD1-CB 3.45Å; F160-Y195 HydrophobicContact CD1-CD2 4.02Å; F160-Y195 HydrophobicContact CD1-CG 4.1Å; F160-Y195 AromaticContact CE1-CD2 3.55Å; F160-Y195 HydrophobicContact CE1-CD2 3.55Å; F160-Y195 HydrophobicContact CE1-CE2 4.42Å; F160-Y195 AromaticContact CE1-CG 3.81Å; F160-Y195 HydrophobicContact CE1-CG 3.81Å; F160-Y195 HydrophobicContact CE2-CD2 4.35Å; F160-Y195 AromaticContact CZ-CD2 3.74Å; F160-Y195 HydrophobicContact CZ-CD2 3.74Å; F160-Y195 HydrophobicContact CZ-CE2 4.29Å; F160-Y195 HydrophobicContact CZ-CG 4.45Å; S161-Y195 PolarHBondContact N-O 3.14Å; S161-Y195 VanDerWaalsContact N-O 3.16Å; L193-Y195 HydrophobicContact CD1-CE1 3.82Å; L193-Y195 HydrophobicContact CD1-CE2 4.06Å; L193-Y195 WeakPolarHBondContact CD1-OH 3.47Å; Y195-V201 HydrophobicContact CD1-CG1 4.08Å; Y195-V201 HydrophobicContact CD1-CG2 3.92Å; Y195-V201 HydrophobicContact CE1-CG1 3.98Å; Y195-V201 HydrophobicContact CE1-CG2 4.02Å
196P98.9Very high98.3Very high0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-78.8161.5-172.733.6-37.5000113.1N32 Y34 S161 I165 I194 H198 P200N32-P196 WeakPolarHBondContact CB-O 3.39Å; N32-P196 PolarHBondContact ND2-O 3.45Å; Y34-P196 PolarHBondContact OH-O 3.5Å; S161-P196 WeakPolarHBondContact OG-CA 3.4Å; I165-P196 VanDerWaalsContact O-CB 3.25Å; I165-P196 WeakPolarHBondContact O-CB 3.15Å; I194-P196 VanDerWaalsContact O-CD 3.3Å; I194-P196 WeakPolarHBondContact O-CD 3.19Å; P196-H198 WeakPolarHBondContact CB-O 3.42Å; P196-H198 VanDerWaalsContact CG-O 3.27Å; P196-H198 WeakPolarHBondContact CG-O 3.47Å; P196-H198 PolarHBondContact O-N 3.46Å; P196-P200 WeakPolarHBondContact CG-O 3.35Å
197G98.8Very high98.3Very high1 Ų142.3 Ų42.31%0.0123%0.234CC..SBendtrans-60.5-33.9169.700000112.4N32 G162N32-G197 WeakPolarHBondContact CB-O 3.37Å; N32-G197 PolarHBondContact N-O 2.84Å; G162-G197 WeakPolarHBondContact O-CA 3.31Å; G162-G197 PolarHBondContact O-N 3.37Å
198H98.8Very high98.3Very high1 Ų142.2 Ų42.21%0.00523%0.232CC..BIsolated β-bridgetrans-137.7149.4175.6-53-71.5000112.9T27 L28 G30 D81 H82 D163 L166 G167 P196T27-H198 WeakPolarHBondContact CA-ND1 3.42Å; T27-H198 PolarHBondContact O-ND1 3.4Å; T27-H198 VanDerWaalsContact O-ND1 3.13Å; L28-H198 HydrophobicContact CB-CB 4.38Å; L28-H198 HydrophobicContact CD1-CB 3.94Å; L28-H198 HydrophobicContact CG-CB 4.15Å; G30-H198 PolarHBondContact O-ND1 2.94Å; D81-H198 IonicContact OD2-CE1 3.79Å; D81-H198 PolarHBondContact OD2-CE1 3.49Å; D81-H198 VanDerWaalsContact OD2-CE1 3.29Å; D81-H198 IonicContact OD2-NE2 2.77Å; D81-H198 PolarHBondContact OD2-NE2 2.92Å; H82-H198 AromaticContact CE1-NE2 3.85Å; H82-H198 AromaticContact NE2-CE1 3.9Å; H82-H198 AromaticContact NE2-NE2 3.33Å; H82-H198 PolarHBondContact NE2-NE2 3.01Å; D163-H198 IonicContact OD1-CD2 3.67Å; D163-H198 PolarHBondContact OD1-CD2 2.72Å; D163-H198 IonicContact OD1-NE2 2.73Å; D163-H198 PolarHBondContact OD1-NE2 3.39Å; D163-H198 IonicContact OD2-CD2 2.65Å; D163-H198 IonicContact OD2-NE2 3.16Å; D163-H198 PolarHBondContact OD2-NE2 3.16Å; L166-H198 HydrophobicContact CD2-CB 4.26Å; G167-H198 PolarHBondContact N-O 3.44Å; P196-H198 WeakPolarHBondContact CB-O 3.42Å; P196-H198 VanDerWaalsContact CG-O 3.27Å; P196-H198 WeakPolarHBondContact CG-O 3.47Å; P196-H198 PolarHBondContact O-N 3.46Å
199G98.4Very high98.3Very high0 Ų037.3 Ų37.30%021%0.206CC..SBendtrans85.1-174.5177.400000114.6R17 N32R17-G199 PolarHBondContact NH1-O 3.5Å; N32-G199 PolarHBondContact ND2-N 3.42Å; N32-G199 PolarHBondContact ND2-O 3.41Å
200P98.4Very high98.4Very high32 Ų3240.6 Ų40.621%0.20822%0.216CC..SBendtrans-71160.9-177.728.8-36000112.7A3 L5 G167 E168 P196 V202A3-P200 HydrophobicContact CB-CB 4.44Å; A3-P200 HydrophobicContact CB-CG 4.33Å; L5-P200 HydrophobicContact CD2-CB 4.13Å; G167-P200 WeakPolarHBondContact CA-O 3.41Å; E168-P200 HydrophobicContact CG-CG 3.94Å; E168-P200 WeakPolarHBondContact OE1-CD 3.41Å; P196-P200 WeakPolarHBondContact CG-O 3.35Å; P200-V202 PolarHBondContact O-N 2.95Å
201V98.7Very high98.5Very high28 Ų2838.3 Ų38.317%0.1721%0.205CC..  trans-56.3135.7170.4-177.60000110.1L11 L193 Y195L11-V201 HydrophobicContact CD1-CG2 3.76Å; L11-V201 HydrophobicContact CD2-CG2 4.1Å; L11-V201 HydrophobicContact CG-CG2 4.48Å; L193-V201 HydrophobicContact CD1-CG1 3.89Å; Y195-V201 HydrophobicContact CD1-CG1 4.08Å; Y195-V201 HydrophobicContact CD1-CG2 3.92Å; Y195-V201 HydrophobicContact CE1-CG1 3.98Å; Y195-V201 HydrophobicContact CE1-CG2 4.02Å
202V98.6Very high98.5Very high15 Ų1537.8 Ų37.89%0.09120%0.201CC..BIsolated β-bridgetrans-94.2111.4173.7-179.70000108.4L193 I194 P200 D204 K208L193-V202 CarbonylContact C-O 3.54Å; L193-V202 VanDerWaalsContact CA-O 3.28Å; L193-V202 WeakPolarHBondContact CA-O 3.36Å; L193-V202 VanDerWaalsContact CB-O 3.25Å; L193-V202 WeakPolarHBondContact CB-O 3.33Å; I194-V202 HydrophobicContact CB-CB 3.97Å; I194-V202 HydrophobicContact CB-CG2 4.37Å; I194-V202 HydrophobicContact CG1-CB 4.46Å; I194-V202 PolarHBondContact N-O 3.43Å; I194-V202 PolarHBondContact O-N 3.23Å; P200-V202 PolarHBondContact O-N 2.95Å; V202-D204 WeakPolarHBondContact CG1-O 3.44Å; V202-K208 HydrophobicContact CG1-CB 3.51Å; V202-K208 HydrophobicContact CG1-CD 4.18Å; V202-K208 HydrophobicContact CG1-CG 3.74Å; V202-K208 HydrophobicContact CG2-CD 4.4Å; V202-K208 HydrophobicContact CG2-CG 4.26Å
203Q97.9Very high98.5Very high150 Ų15034.5 Ų34.570%0.70118%0.183SC*.SBendtrans-79.2-18.4-175.4-61.2-64.5-21.700114.3
204D98.1Very high98.4Very high88 Ų8836.5 Ų36.547%0.47120%0.2SC..  trans-125.989.5176.1-178.1-16.5000108.4V202 G206 S207 K208V202-D204 WeakPolarHBondContact CG1-O 3.44Å; D204-G206 PolarHBondContact OD1-N 3.44Å; D204-S207 WeakPolarHBondContact OD1-CB 3.3Å; D204-S207 PolarHBondContact OD1-N 2.96Å; D204-S207 PolarHBondContact OD1-OG 3.47Å; D204-S207 VanDerWaalsContact OD2-CB 3.22Å; D204-S207 WeakPolarHBondContact OD2-CB 3.16Å; D204-S207 PolarHBondContact OD2-OG 2.63Å; D204-K208 WeakPolarHBondContact O-CB 3.4Å; D204-K208 PolarHBondContact O-N 3.28Å
205A98.4Very high98.2Very high1 Ų140.2 Ų40.21%0.00822%0.216CC..Hα-helixtrans-61.2-47.9-177.600000111.5A191 D192 I194 S207 K208 I209A191-A205 HydrophobicContact CB-CB 4.25Å; A191-A205 WeakPolarHBondContact O-CB 3.22Å; D192-A205 PolarHBondContact O-N 3.37Å; D192-A205 VanDerWaalsContact O-N 3.17Å; I194-A205 HydrophobicContact CD1-CB 3.88Å; I194-A205 HydrophobicContact CG1-CB 3.52Å; A205-S207 PolarHBondContact O-N 2.91Å; A205-K208 PolarHBondContact O-N 3Å; A205-I209 HydrophobicContact CB-CD1 4.39Å; A205-I209 WeakPolarHBondContact O-CD1 3.39Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 3.27Å
206G98.4Very high98.1Very high21 Ų2140.4 Ų40.422%0.21622%0.217CC..Hα-helixtrans-57.5-50-176.900000112.3D204 K208 I209 Q210D204-G206 PolarHBondContact OD1-N 3.44Å; G206-K208 PolarHBondContact O-N 3.46Å; G206-I209 PolarHBondContact O-N 3.38Å; G206-Q210 WeakPolarHBondContact O-CB 3.25Å; G206-Q210 VanDerWaalsContact O-CG 3.29Å; G206-Q210 WeakPolarHBondContact O-CG 3.34Å; G206-Q210 PolarHBondContact O-N 3.14Å
207S98.3Very high98Very high64 Ų6443.3 Ų43.345%0.44823%0.233SC..Hα-helixtrans-63.7-40.2178.4-66.20000112.3D204 A205 H211D204-S207 WeakPolarHBondContact OD1-CB 3.3Å; D204-S207 PolarHBondContact OD1-N 2.96Å; D204-S207 PolarHBondContact OD1-OG 3.47Å; D204-S207 VanDerWaalsContact OD2-CB 3.22Å; D204-S207 WeakPolarHBondContact OD2-CB 3.16Å; D204-S207 PolarHBondContact OD2-OG 2.63Å; A205-S207 PolarHBondContact O-N 2.91Å; S207-H211 WeakPolarHBondContact O-CB 3.42Å; S207-H211 PolarHBondContact O-N 2.97Å
208K98.4Very high97.8Very high38 Ų3847.7 Ų47.717%0.16526%0.256CS..Hα-helixtrans-65.9-44.3179.1-174.278.8171.9-171.50112I165 L166 G167 V202 D204 A205 G206 H211 Y212I165-K208 HydrophobicContact CG2-CG 3.88Å; L166-K208 WeakPolarHBondContact O-CE 3.42Å; L166-K208 PolarHBondContact O-NZ 3.49Å; L166-K208 VanDerWaalsContact O-NZ 3.1Å; G167-K208 PolarHBondContact O-NZ 3.18Å; V202-K208 HydrophobicContact CG1-CB 3.51Å; V202-K208 HydrophobicContact CG1-CD 4.18Å; V202-K208 HydrophobicContact CG1-CG 3.74Å; V202-K208 HydrophobicContact CG2-CD 4.4Å; V202-K208 HydrophobicContact CG2-CG 4.26Å; D204-K208 WeakPolarHBondContact O-CB 3.4Å; D204-K208 PolarHBondContact O-N 3.28Å; A205-K208 PolarHBondContact O-N 3Å; G206-K208 PolarHBondContact O-N 3.46Å; K208-H211 WeakPolarHBondContact O-CB 2.85Å; K208-H211 PolarHBondContact O-N 3.12Å; K208-Y212 HydrophobicContact CD-CE2 4.33Å; K208-Y212 WeakPolarHBondContact O-CD2 3.34Å; K208-Y212 PolarHBondContact O-N 3.2Å
209I98.6Very high97.6Very high3 Ų350.1 Ų50.12%0.01527%0.265CS..Hα-helixtrans-63.3-47177.6-63.6158000110.1I165 L183 L186 L187 I194 A205 G206 H211 Y212 I213I165-I209 HydrophobicContact CD1-CB 4.44Å; I165-I209 HydrophobicContact CD1-CD1 4.33Å; I165-I209 HydrophobicContact CD1-CG1 3.42Å; I165-I209 VanDerWaalsContact CD1-CG1 3.42Å; L183-I209 HydrophobicContact CB-CG2 4.4Å; L183-I209 VanDerWaalsContact O-CG2 3.29Å; L183-I209 WeakPolarHBondContact O-CG2 3.41Å; L186-I209 HydrophobicContact CB-CD1 4.18Å; L187-I209 HydrophobicContact CB-CG2 3.81Å; L187-I209 HydrophobicContact CD1-CB 4.09Å; L187-I209 HydrophobicContact CD1-CG2 3.99Å; L187-I209 HydrophobicContact CG-CG2 4.4Å; I194-I209 HydrophobicContact CD1-CD1 4.21Å; I194-I209 HydrophobicContact CD1-CG1 4.07Å; A205-I209 HydrophobicContact CB-CD1 4.39Å; A205-I209 WeakPolarHBondContact O-CD1 3.39Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 3.27Å; G206-I209 PolarHBondContact O-N 3.38Å; I209-H211 VanDerWaalsContact C-N 3.29Å; I209-H211 PolarHBondContact O-N 3.19Å; I209-Y212 WeakPolarHBondContact O-CB 3.44Å; I209-Y212 PolarHBondContact O-N 3.31Å; I209-Y212 VanDerWaalsContact O-N 3.15Å; I209-I213 HydrophobicContact CG2-CD1 3.91Å; I209-I213 HydrophobicContact CG2-CG1 4.48Å; I209-I213 WeakPolarHBondContact O-CG1 3.38Å; I209-I213 PolarHBondContact O-N 3.49Å
210Q98.4Very high97.5Very high109 Ų10950.8 Ų50.851%0.50927%0.268SS..Hα-helixtrans-61.8-36.7176.9-73.4176.724.100112.4L187 G206 I213 S214L187-Q210 HydrophobicContact CD1-CG 3.97Å; L187-Q210 HydrophobicContact CD2-CG 4.27Å; G206-Q210 WeakPolarHBondContact O-CB 3.25Å; G206-Q210 VanDerWaalsContact O-CG 3.29Å; G206-Q210 WeakPolarHBondContact O-CG 3.34Å; G206-Q210 PolarHBondContact O-N 3.14Å; Q210-I213 PolarHBondContact O-N 3.1Å; Q210-S214 VanDerWaalsContact O-CB 3.23Å; Q210-S214 WeakPolarHBondContact O-CB 3.31Å; Q210-S214 PolarHBondContact O-N 3.19Å; Q210-S214 PolarHBondContact O-OG 2.59Å
211H98Very high97.4Very high114 Ų11455 Ų5553%0.52828%0.284SS..Hα-helixtrans-61.5-46.5173.8-179.881.5000111.4S207 K208 I209 S214 H215S207-H211 WeakPolarHBondContact O-CB 3.42Å; S207-H211 PolarHBondContact O-N 2.97Å; K208-H211 WeakPolarHBondContact O-CB 2.85Å; K208-H211 PolarHBondContact O-N 3.12Å; I209-H211 VanDerWaalsContact C-N 3.29Å; I209-H211 PolarHBondContact O-N 3.19Å; H211-S214 PolarHBondContact O-N 2.62Å; H211-H215 WeakPolarHBondContact O-CB 3.14Å; H211-H215 PolarHBondContact O-N 3.02Å
212Y98.1Very high97.3Very high3 Ų357.1 Ų57.11%0.01229%0.293CS..Hα-helixtrans-58.4-50175.7-90.4-134.2000111.4I165 L166 G169 T170 A171 Y179 L183 K208 I209 S214 H215 R216I165-Y212 HydrophobicContact CB-CE1 4.45Å; I165-Y212 HydrophobicContact CG1-CD1 4.37Å; I165-Y212 HydrophobicContact CG1-CE1 4.37Å; I165-Y212 HydrophobicContact CG2-CE1 4.34Å; L166-Y212 PolarHBondContact N-OH 3.38Å; L166-Y212 VanDerWaalsContact N-OH 3.13Å; G169-Y212 PolarHBondContact O-OH 3.37Å; T170-Y212 WeakPolarHBondContact CA-OH 3.39Å; A171-Y212 HydrophobicContact CB-CE1 4.28Å; Y179-Y212 WeakPolarHBondContact OH-CD1 3.3Å; Y179-Y212 VanDerWaalsContact OH-CE1 3.26Å; Y179-Y212 WeakPolarHBondContact OH-CE1 3.35Å; L183-Y212 HydrophobicContact CD2-CD1 4.24Å; K208-Y212 HydrophobicContact CD-CE2 4.33Å; K208-Y212 WeakPolarHBondContact O-CD2 3.34Å; K208-Y212 PolarHBondContact O-N 3.2Å; I209-Y212 WeakPolarHBondContact O-CB 3.44Å; I209-Y212 PolarHBondContact O-N 3.31Å; I209-Y212 VanDerWaalsContact O-N 3.15Å; Y212-S214 PolarHBondContact O-N 3.17Å; Y212-H215 PolarHBondContact O-N 2.77Å; Y212-R216 WeakPolarHBondContact O-CG 3.3Å; Y212-R216 PolarHBondContact O-N 3.29Å
213I98.2Very high97.2Very high22 Ų2256.4 Ų56.411%0.11329%0.288CS..Hα-helixtrans-58.4-51.1178.3-68.6170.6000110.7M180 L183 L187 I209 Q210 H215 R216 N217M180-I213 HydrophobicContact CE-CB 4.29Å; M180-I213 HydrophobicContact CE-CG1 4.44Å; M180-I213 HydrophobicContact CE-CG2 3.88Å; L183-I213 HydrophobicContact CB-CD1 4.08Å; L183-I213 HydrophobicContact CB-CG1 3.77Å; L183-I213 HydrophobicContact CD1-CG1 3.93Å; L187-I213 HydrophobicContact CD2-CD1 4.17Å; I209-I213 HydrophobicContact CG2-CD1 3.91Å; I209-I213 HydrophobicContact CG2-CG1 4.48Å; I209-I213 WeakPolarHBondContact O-CG1 3.38Å; I209-I213 PolarHBondContact O-N 3.49Å; Q210-I213 PolarHBondContact O-N 3.1Å; I213-H215 VanDerWaalsContact C-N 3.33Å; I213-H215 PolarHBondContact O-N 3.05Å; I213-R216 PolarHBondContact O-N 2.83Å; I213-N217 WeakPolarHBondContact CG2-ND2 3.12Å; I213-N217 WeakPolarHBondContact O-CB 3.39Å; I213-N217 PolarHBondContact O-N 2.87Å
214S97.8Very high97Very high71 Ų7150.2 Ų50.250%0.49726%0.26SS..Hα-helixtrans-63-40.9-177-59.50000111.8Q210 H211 Y212 R216 N217 L218Q210-S214 VanDerWaalsContact O-CB 3.23Å; Q210-S214 WeakPolarHBondContact O-CB 3.31Å; Q210-S214 PolarHBondContact O-N 3.19Å; Q210-S214 PolarHBondContact O-OG 2.59Å; H211-S214 PolarHBondContact O-N 2.62Å; Y212-S214 PolarHBondContact O-N 3.17Å; S214-R216 VanDerWaalsContact C-N 3.34Å; S214-R216 PolarHBondContact O-N 2.75Å; S214-N217 PolarHBondContact O-N 2.78Å; S214-L218 WeakPolarHBondContact O-CB 3.45Å; S214-L218 PolarHBondContact O-N 3.27Å
215H94.7Very high96.9Very high77 Ų7749.3 Ų49.336%0.35626%0.261SS..Hα-helixtrans-60.1-43.2177.9177.470.5000111.9H211 Y212 I213 R219H211-H215 WeakPolarHBondContact O-CB 3.14Å; H211-H215 PolarHBondContact O-N 3.02Å; Y212-H215 PolarHBondContact O-N 2.77Å; I213-H215 VanDerWaalsContact C-N 3.33Å; I213-H215 PolarHBondContact O-N 3.05Å; H215-R219 PolarHBondContact O-N 3.16Å
216R95.8Very high96.7Very high11 Ų1150.8 Ų50.84%0.04227%0.269CS..Hα-helixtrans-72.6-41.7177.2-56.5-50.6178.6-161.43.3112A171 L176 M180 Y212 I213 S214 L218 R219 E220 H263A171-R216 PolarHBondContact O-NH2 2.89Å; A171-R216 VanDerWaalsContact O-NH2 3.13Å; L176-R216 HydrophobicContact CD1-CB 4.35Å; L176-R216 HydrophobicContact CD1-CG 4.11Å; M180-R216 HydrophobicContact CE-CB 4.25Å; M180-R216 HydrophobicContact SD-CB 3.63Å; M180-R216 HydrophobicContact SD-CG 3.9Å; Y212-R216 WeakPolarHBondContact O-CG 3.3Å; Y212-R216 PolarHBondContact O-N 3.29Å; I213-R216 PolarHBondContact O-N 2.83Å; S214-R216 VanDerWaalsContact C-N 3.34Å; S214-R216 PolarHBondContact O-N 2.75Å; R216-L218 VanDerWaalsContact C-N 3.31Å; R216-L218 PolarHBondContact O-N 2.89Å; R216-R219 PolarHBondContact O-N 2.93Å; R216-E220 PolarHBondContact O-N 3.29Å; R216-H263 PolarHBondContact O-CE1 3.37Å
217N97.1Very high96.5Very high60 Ų6049.8 Ų49.832%0.32126%0.259SS..Hα-helixtrans-61.3-39.5177.8-75.3-15.5000112.3M180 I213 S214 R219 E220 Q221M180-N217 VanDerWaalsContact CE-OD1 3.29Å; M180-N217 WeakPolarHBondContact CE-OD1 3.49Å; I213-N217 WeakPolarHBondContact CG2-ND2 3.12Å; I213-N217 WeakPolarHBondContact O-CB 3.39Å; I213-N217 PolarHBondContact O-N 2.87Å; S214-N217 PolarHBondContact O-N 2.78Å; N217-R219 VanDerWaalsContact C-N 3.33Å; N217-R219 PolarHBondContact O-N 3.13Å; N217-E220 PolarHBondContact O-N 3.08Å; N217-Q221 WeakPolarHBondContact O-CG 3.3Å; N217-Q221 PolarHBondContact O-N 2.82Å
218L95.6Very high96.2Very high94 Ų9451.1 Ų51.149%0.49226%0.258SS..Hα-helixtrans-60-44.4176179.963.8000111.5S214 R216 Q221 Q222S214-L218 WeakPolarHBondContact O-CB 3.45Å; S214-L218 PolarHBondContact O-N 3.27Å; R216-L218 VanDerWaalsContact C-N 3.31Å; R216-L218 PolarHBondContact O-N 2.89Å; L218-Q221 PolarHBondContact O-N 3.3Å; L218-Q222 WeakPolarHBondContact O-CG 3.41Å; L218-Q222 PolarHBondContact O-N 3.45Å; L218-Q222 VanDerWaalsContact O-N 3.1Å
219R94.6Very high96Very high51 Ų5153.6 Ų53.619%0.19229%0.286CS..Hα-helixtrans-65.6-41.2177.6-176.960.966.9179.811.5111.8H215 R216 N217 Q221 Q222 I223 V244 Y245 H263H215-R219 PolarHBondContact O-N 3.16Å; R216-R219 PolarHBondContact O-N 2.93Å; N217-R219 VanDerWaalsContact C-N 3.33Å; N217-R219 PolarHBondContact O-N 3.13Å; R219-Q221 PolarHBondContact O-N 2.88Å; R219-Q222 PolarHBondContact O-N 2.88Å; R219-I223 HydrophobicContact CG-CD1 4.18Å; R219-I223 WeakPolarHBondContact O-CG1 3.37Å; R219-I223 PolarHBondContact O-N 3.27Å; R219-I223 VanDerWaalsContact O-N 3.12Å; R219-V244 PolarHBondContact NH1-O 3.08Å; R219-Y245 VanDerWaalsContact NH2-CE1 3.34Å; R219-H263 WeakPolarHBondContact CG-NE2 3.5Å
220E95.9Very high95.4Very high14 Ų1454.3 Ų54.37%0.06529%0.292CS..Hα-helixtrans-59.9-45.3175.7-177.3171.4120.700111.9R216 N217 Q222 I223 L224 K266 L267 K272R216-E220 PolarHBondContact O-N 3.29Å; N217-E220 PolarHBondContact O-N 3.08Å; E220-Q222 VanDerWaalsContact C-N 3.33Å; E220-Q222 PolarHBondContact O-N 3.4Å; E220-I223 PolarHBondContact O-N 3.11Å; E220-L224 HydrophobicContact CG-CD1 4.23Å; E220-L224 PolarHBondContact O-N 2.89Å; E220-K266 IonicContact OE1-NZ 3.85Å; E220-K266 PolarHBondContact OE1-NZ 3.34Å; E220-K266 WeakPolarHBondContact OE2-CD 3.21Å; E220-K266 WeakPolarHBondContact OE2-CE 3.35Å; E220-K266 IonicContact OE2-NZ 3.84Å; E220-K266 PolarHBondContact OE2-NZ 3.35Å; E220-L267 HydrophobicContact CG-CD1 4.24Å; E220-L267 HydrophobicContact CG-CD2 3.57Å; E220-L267 HydrophobicContact CG-CG 4.07Å; E220-K272 IonicContact OE1-NZ 3.3Å; E220-K272 PolarHBondContact OE1-NZ 3.23Å; E220-K272 VanDerWaalsContact OE1-NZ 3.11Å
221Q96.5Very high94.6Very high120 Ų12052.7 Ų52.756%0.56130%0.304SS*.Hα-helixtrans-61.2-40.2177.3-74.6174.5-17.200112.3N217 L218 R219 L224 S225N217-Q221 WeakPolarHBondContact O-CG 3.3Å; N217-Q221 PolarHBondContact O-N 2.82Å; L218-Q221 PolarHBondContact O-N 3.3Å; R219-Q221 PolarHBondContact O-N 2.88Å; Q221-L224 PolarHBondContact O-N 3.17Å; Q221-S225 WeakPolarHBondContact O-CB 3.43Å; Q221-S225 PolarHBondContact O-N 2.87Å; Q221-S225 PolarHBondContact O-OG 3.42Å
222Q95.6Very high93.7Very high73 Ų7349.7 Ų49.734%0.34130%0.304SS..Hα-helixtrans-61.2-45.2175.2-71.8171.7-12.700111.7L218 R219 E220 S225 V226 V244L218-Q222 WeakPolarHBondContact O-CG 3.41Å; L218-Q222 PolarHBondContact O-N 3.45Å; L218-Q222 VanDerWaalsContact O-N 3.1Å; R219-Q222 PolarHBondContact O-N 2.88Å; E220-Q222 VanDerWaalsContact C-N 3.33Å; E220-Q222 PolarHBondContact O-N 3.4Å; Q222-S225 PolarHBondContact O-N 3.24Å; Q222-V226 WeakPolarHBondContact O-CG2 3.34Å; Q222-V226 PolarHBondContact O-N 2.89Å; Q222-V244 HydrophobicContact CB-CG1 4.21Å
223I95.9Very high93.2Very high0 Ų054.8 Ų54.80%033%0.332CS..Hα-helixtrans-63.5-48.3178.9-66.6165.3000110.7R219 E220 S225 V226 L227 V244 L260 H263 L264 L267R219-I223 HydrophobicContact CG-CD1 4.18Å; R219-I223 WeakPolarHBondContact O-CG1 3.37Å; R219-I223 PolarHBondContact O-N 3.27Å; R219-I223 VanDerWaalsContact O-N 3.12Å; E220-I223 PolarHBondContact O-N 3.11Å; I223-S225 VanDerWaalsContact C-N 3.32Å; I223-S225 PolarHBondContact O-N 3.06Å; I223-V226 PolarHBondContact O-N 3.21Å; I223-L227 HydrophobicContact CG2-CD1 4.04Å; I223-L227 WeakPolarHBondContact O-CG 3.48Å; I223-L227 PolarHBondContact O-N 3.11Å; I223-L227 VanDerWaalsContact O-N 3.09Å; I223-V244 HydrophobicContact CG1-CG1 4.05Å; I223-V244 HydrophobicContact CG1-CG2 4.12Å; I223-L260 HydrophobicContact CD1-CD1 3.86Å; I223-L260 HydrophobicContact CD1-CG 4.16Å; I223-L260 HydrophobicContact CG1-CD1 3.96Å; I223-H263 HydrophobicContact CD1-CB 3.4Å; I223-L264 HydrophobicContact CG2-CD2 3.99Å; I223-L267 HydrophobicContact CG2-CD1 4.04Å
224L95.3Very high92.9Very high20 Ų2056.2 Ų56.211%0.10534%0.342CS..Hα-helixtrans-59.7-42.5178.2-78.2174.2000112.1E220 Q221 V226 L227 Q228 L267 K272 I273 L290E220-L224 HydrophobicContact CG-CD1 4.23Å; E220-L224 PolarHBondContact O-N 2.89Å; Q221-L224 PolarHBondContact O-N 3.17Å; L224-V226 VanDerWaalsContact C-N 3.31Å; L224-V226 PolarHBondContact O-N 2.73Å; L224-L227 PolarHBondContact O-N 3.01Å; L224-Q228 WeakPolarHBondContact O-CB 3.31Å; L224-Q228 WeakPolarHBondContact O-CG 3.47Å; L224-Q228 PolarHBondContact O-N 3.36Å; L224-L267 HydrophobicContact CD1-CD2 3.81Å; L224-L267 HydrophobicContact CD2-CD1 3.9Å; L224-L267 HydrophobicContact CD2-CD2 3.85Å; L224-L267 HydrophobicContact CD2-CG 4.46Å; L224-L267 HydrophobicContact CG-CD1 3.93Å; L224-L267 HydrophobicContact CG-CD2 3.87Å; L224-K272 HydrophobicContact CD1-CD 4.27Å; L224-K272 HydrophobicContact CD2-CB 4.29Å; L224-I273 HydrophobicContact CD2-CG2 4.14Å; L224-L290 HydrophobicContact CD2-CD1 4.28Å
225S95.1Very high92.7Very high70 Ų7054.7 Ų54.749%0.4933%0.326SS..Hα-helixtrans-59.9-41.5179-59.30000111.8Q221 Q222 I223 A229Q221-S225 WeakPolarHBondContact O-CB 3.43Å; Q221-S225 PolarHBondContact O-N 2.87Å; Q221-S225 PolarHBondContact O-OG 3.42Å; Q222-S225 PolarHBondContact O-N 3.24Å; I223-S225 VanDerWaalsContact C-N 3.32Å; I223-S225 PolarHBondContact O-N 3.06Å; S225-A229 VanDerWaalsContact O-CB 3.29Å; S225-A229 WeakPolarHBondContact O-CB 3.29Å; S225-A229 PolarHBondContact O-N 3.41Å
226V94.9Very high92.6Very high31 Ų3151.8 Ų51.819%0.18832%0.315CS..Hα-helixtrans-64.5-45.9176.3172.80000111.1Q222 I223 L224 A230 F235 L240 V243 V244Q222-V226 WeakPolarHBondContact O-CG2 3.34Å; Q222-V226 PolarHBondContact O-N 2.89Å; I223-V226 PolarHBondContact O-N 3.21Å; L224-V226 VanDerWaalsContact C-N 3.31Å; L224-V226 PolarHBondContact O-N 2.73Å; V226-A230 PolarHBondContact O-N 3.38Å; V226-F235 HydrophobicContact CG1-CZ 4.47Å; V226-L240 HydrophobicContact CB-CD2 4.44Å; V226-L240 HydrophobicContact CG1-CD2 3.74Å; V226-V243 HydrophobicContact CB-CG1 4.46Å; V226-V243 HydrophobicContact CG1-CB 4.4Å; V226-V243 HydrophobicContact CG1-CG1 3.9Å; V226-V243 HydrophobicContact CG2-CG1 3.62Å; V226-V244 HydrophobicContact CG2-CG2 3.93Å
227L93.8Very high92.6Very high1 Ų151.9 Ų51.91%0.00532%0.317CS..Hα-helixtrans-66.6-38.1-179-69.8174000112.8I223 L224 A230 F235 L240 L264 I273I223-L227 HydrophobicContact CG2-CD1 4.04Å; I223-L227 WeakPolarHBondContact O-CG 3.48Å; I223-L227 PolarHBondContact O-N 3.11Å; I223-L227 VanDerWaalsContact O-N 3.09Å; L224-L227 PolarHBondContact O-N 3.01Å; L227-A230 PolarHBondContact O-N 2.95Å; L227-F235 HydrophobicContact CD2-CD2 3.6Å; L227-F235 HydrophobicContact CD2-CE2 4.2Å; L227-F235 HydrophobicContact CD2-CG 4.38Å; L227-L240 HydrophobicContact CD2-CD1 4.25Å; L227-L240 HydrophobicContact CD2-CD2 3.93Å; L227-L240 HydrophobicContact CG-CD2 4.28Å; L227-L264 HydrophobicContact CD1-CD2 4.41Å; L227-I273 HydrophobicContact CD1-CG2 3.69Å
228Q92.8Very high92.4Very high92 Ų9251 Ų5143%0.4331%0.311SS..Hα-helixtrans-69.7-43.4177.5-74.6175.7-27.100112L224 A230 G231 L290L224-Q228 WeakPolarHBondContact O-CB 3.31Å; L224-Q228 WeakPolarHBondContact O-CG 3.47Å; L224-Q228 PolarHBondContact O-N 3.36Å; Q228-A230 PolarHBondContact O-N 3.22Å; Q228-A230 VanDerWaalsContact O-N 3.11Å; Q228-G231 PolarHBondContact O-N 3.02Å; Q228-L290 HydrophobicContact CG-CB 4.45Å; Q228-L290 VanDerWaalsContact NE2-CD1 3.34Å
229A92.4Very high92.3Very high90 Ų9050.8 Ų50.874%0.74431%0.308SS*.Hα-helixtrans-62.5-20.1178.500000113.1S225 G231S225-A229 VanDerWaalsContact O-CB 3.29Å; S225-A229 WeakPolarHBondContact O-CB 3.29Å; S225-A229 PolarHBondContact O-N 3.41Å; A229-G231 VanDerWaalsContact C-N 3.32Å; A229-G231 PolarHBondContact O-N 3.4Å
230A87.8Confident92.3Very high18 Ų1848.4 Ų48.415%0.14930%0.299CS..THydrogen-bonded Turntrans-82.1-3.2-176.900000115.1V226 L227 Q228 G232 N233 F235V226-A230 PolarHBondContact O-N 3.38Å; L227-A230 PolarHBondContact O-N 2.95Å; Q228-A230 PolarHBondContact O-N 3.22Å; Q228-A230 VanDerWaalsContact O-N 3.11Å; A230-G232 VanDerWaalsContact C-N 3.33Å; A230-G232 PolarHBondContact O-N 3.04Å; A230-N233 HydrophobicContact CB-CB 4.12Å; A230-N233 WeakPolarHBondContact O-CB 3.32Å; A230-N233 PolarHBondContact O-N 2.65Å; A230-N233 PolarHBondContact O-ND2 3.33Å; A230-N233 VanDerWaalsContact O-ND2 3.09Å; A230-F235 HydrophobicContact CB-CE2 3.22Å; A230-F235 HydrophobicContact CB-CZ 3.43Å; A230-F235 VanDerWaalsContact CB-CZ 3.43Å
231G80.8Confident92.3Very high74 Ų7447.7 Ų47.776%0.76330%0.296SS*.THydrogen-bonded Turntrans60.134.816800000115.3Q228 A229Q228-G231 PolarHBondContact O-N 3.02Å; A229-G231 VanDerWaalsContact C-N 3.32Å; A229-G231 PolarHBondContact O-N 3.4Å
232G79.5Confident92.2Very high51 Ų5148.6 Ų48.653%0.52630%0.297SS..THydrogen-bonded Turntrans98.5-4.6179.400000115.3A230A230-G232 VanDerWaalsContact C-N 3.33Å; A230-G232 PolarHBondContact O-N 3.04Å
233N87Confident92Very high110 Ų11048.8 Ų48.859%0.58830%0.303SS*.  trans-64.1150169.2-69.8-38.5000111.4A230A230-N233 HydrophobicContact CB-CB 4.12Å; A230-N233 WeakPolarHBondContact O-CB 3.32Å; A230-N233 PolarHBondContact O-N 2.65Å; A230-N233 PolarHBondContact O-ND2 3.33Å; A230-N233 VanDerWaalsContact O-ND2 3.09Å
234T91.7Very high91.9Very high52 Ų5249.6 Ų49.632%0.31931%0.309SS..  trans-103142.6-179610000110.8A276 W286 K287T234-A276 HydrophobicContact CG2-CB 3.49Å; T234-A276 VanDerWaalsContact CG2-CB 3.49Å; T234-W286 CarbonylContact C-O 3.56Å; T234-W286 VanDerWaalsContact CA-O 3.32Å; T234-W286 WeakPolarHBondContact CA-O 3.48Å; T234-K287 HydrophobicContact CG2-CB 4.13Å; T234-K287 HydrophobicContact CG2-CD 4.33Å
235F93Very high91.7Very high40 Ų4049.3 Ų49.318%0.17531%0.306CS..EExtended strand (participates in β ladder)trans-124.3140.4176.6-60.4-101.8000111.4V226 L227 A230 E239 L240 K285 W286V226-F235 HydrophobicContact CG1-CZ 4.47Å; L227-F235 HydrophobicContact CD2-CD2 3.6Å; L227-F235 HydrophobicContact CD2-CE2 4.2Å; L227-F235 HydrophobicContact CD2-CG 4.38Å; A230-F235 HydrophobicContact CB-CE2 3.22Å; A230-F235 HydrophobicContact CB-CZ 3.43Å; A230-F235 VanDerWaalsContact CB-CZ 3.43Å; F235-E239 HydrophobicContact CB-CB 4.4Å; F235-E239 HydrophobicContact CD1-CB 4.21Å; F235-L240 HydrophobicContact CB-CD1 4.16Å; F235-L240 HydrophobicContact CB-CD2 3.85Å; F235-L240 HydrophobicContact CB-CG 3.62Å; F235-L240 HydrophobicContact CD1-CD2 4.17Å; F235-L240 HydrophobicContact CD2-CD2 4.27Å; F235-L240 HydrophobicContact CG-CD2 3.84Å; F235-L240 HydrophobicContact CG-CG 4.18Å; F235-K285 CarbonylContact O-C 3.47Å; F235-K285 WeakPolarHBondContact O-CA 3.22Å; F235-W286 PolarHBondContact N-O 3.14Å; F235-W286 PolarHBondContact O-N 2.81Å
236S94.1Very high91.5Very high16 Ų1653.8 Ų53.811%0.11232%0.317CS..EExtended strand (participates in β ladder)trans-69.9163.5160.464.70000111.4M238 E239 L240S236-M238 VanDerWaalsContact C-N 3.33Å; S236-M238 PolarHBondContact O-N 3.26Å; S236-E239 WeakPolarHBondContact CB-OE2 3.49Å; S236-E239 PolarHBondContact N-OE2 3.29Å; S236-E239 PolarHBondContact O-N 2.83Å; S236-E239 WeakPolarHBondContact OG-CB 3.45Å; S236-E239 VanDerWaalsContact OG-CG 3.22Å; S236-E239 WeakPolarHBondContact OG-CG 3.34Å; S236-E239 PolarHBondContact OG-N 2.79Å; S236-E239 PolarHBondContact OG-OE2 3.1Å; S236-L240 PolarHBondContact O-N 3.28Å; S236-L240 VanDerWaalsContact O-N 3.13Å
237S94.3Very high91.2Very high12 Ų1260.2 Ų60.28%0.08435%0.345CS..Hα-helixtrans-56.9-45.3175.348.90000111.8E239 L240 V241 E257 L260S237-E239 PolarHBondContact O-N 3.49Å; S237-L240 PolarHBondContact O-N 3.49Å; S237-V241 WeakPolarHBondContact O-CG2 3.39Å; S237-V241 PolarHBondContact O-N 3.32Å; S237-E257 PolarHBondContact OG-OE1 3.34Å; S237-L260 WeakPolarHBondContact O-CD2 3.24Å
238M94.1Very high91Very high41 Ų4162 Ų6220%0.20236%0.356CS..Hα-helixtrans-69.4-32.6-178.1-169.455.37000113.1S236 V241 K242 H253 E257S236-M238 VanDerWaalsContact C-N 3.33Å; S236-M238 PolarHBondContact O-N 3.26Å; M238-V241 PolarHBondContact O-N 3.22Å; M238-V241 HydrophobicContact SD-CB 4.16Å; M238-V241 HydrophobicContact SD-CG1 4.24Å; M238-K242 WeakPolarHBondContact O-CG 3.44Å; M238-K242 PolarHBondContact O-N 3.12Å; M238-K242 VanDerWaalsContact O-N 3.16Å; M238-H253 HydrophobicContact SD-CB 4.5Å; M238-E257 HydrophobicContact CE-CB 4.17Å; M238-E257 VanDerWaalsContact CE-CD 3.42Å; M238-E257 HydrophobicContact CE-CG 4.3Å; M238-E257 WeakPolarHBondContact CE-OE2 3.38Å
239E94.2Very high91Very high91 Ų9160.7 Ų60.743%0.42536%0.355SS..Hα-helixtrans-64.5-43.9172.1-74.1163.6146.200110.8F235 S236 S237 V241 K242 V243F235-E239 HydrophobicContact CB-CB 4.4Å; F235-E239 HydrophobicContact CD1-CB 4.21Å; S236-E239 WeakPolarHBondContact CB-OE2 3.49Å; S236-E239 PolarHBondContact N-OE2 3.29Å; S236-E239 PolarHBondContact O-N 2.83Å; S236-E239 WeakPolarHBondContact OG-CB 3.45Å; S236-E239 VanDerWaalsContact OG-CG 3.22Å; S236-E239 WeakPolarHBondContact OG-CG 3.34Å; S236-E239 PolarHBondContact OG-N 2.79Å; S236-E239 PolarHBondContact OG-OE2 3.1Å; S237-E239 PolarHBondContact O-N 3.49Å; E239-V241 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 3.2Å; E239-K242 PolarHBondContact O-N 3.09Å; E239-V243 WeakPolarHBondContact O-CG2 3.43Å; E239-V243 PolarHBondContact O-N 2.92Å
240L94.6Very high90.9Very high0 Ų064.3 Ų64.30%036%0.357CS..Hα-helixtrans-64-37.4174.3-69.5171.1000112.1V226 L227 F235 S236 S237 K242 V243 V244 L260 L264V226-L240 HydrophobicContact CB-CD2 4.44Å; V226-L240 HydrophobicContact CG1-CD2 3.74Å; L227-L240 HydrophobicContact CD2-CD1 4.25Å; L227-L240 HydrophobicContact CD2-CD2 3.93Å; L227-L240 HydrophobicContact CG-CD2 4.28Å; F235-L240 HydrophobicContact CB-CD1 4.16Å; F235-L240 HydrophobicContact CB-CD2 3.85Å; F235-L240 HydrophobicContact CB-CG 3.62Å; F235-L240 HydrophobicContact CD1-CD2 4.17Å; F235-L240 HydrophobicContact CD2-CD2 4.27Å; F235-L240 HydrophobicContact CG-CD2 3.84Å; F235-L240 HydrophobicContact CG-CG 4.18Å; S236-L240 PolarHBondContact O-N 3.28Å; S236-L240 VanDerWaalsContact O-N 3.13Å; S237-L240 PolarHBondContact O-N 3.49Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 3.39Å; L240-V243 PolarHBondContact O-N 3.02Å; L240-V244 VanDerWaalsContact O-CB 3.28Å; L240-V244 WeakPolarHBondContact O-CB 3.49Å; L240-V244 WeakPolarHBondContact O-CG2 3.37Å; L240-V244 PolarHBondContact O-N 3.39Å; L240-L260 HydrophobicContact CB-CD1 3.81Å; L240-L260 HydrophobicContact CB-CD2 3.86Å; L240-L260 HydrophobicContact CB-CG 4.47Å; L240-L260 HydrophobicContact CD1-CD2 4.24Å; L240-L264 HydrophobicContact CD1-CD1 4.09Å; L240-L264 HydrophobicContact CD1-CD2 3.8Å; L240-L264 HydrophobicContact CD1-CG 4.49Å
241V95.1Very high91.1Very high0 Ų071 Ų710%038%0.384CS..Hα-helixtrans-56.8-48.7175.2168.20000110.9S237 M238 E239 V243 V244 Y245 H253 A256 E257 L260S237-V241 WeakPolarHBondContact O-CG2 3.39Å; S237-V241 PolarHBondContact O-N 3.32Å; M238-V241 PolarHBondContact O-N 3.22Å; M238-V241 HydrophobicContact SD-CB 4.16Å; M238-V241 HydrophobicContact SD-CG1 4.24Å; E239-V241 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 3.2Å; V241-V243 PolarHBondContact O-N 3.13Å; V241-V244 PolarHBondContact O-N 2.72Å; V241-Y245 HydrophobicContact CB-CD2 4.46Å; V241-Y245 HydrophobicContact CG1-CD2 4.35Å; V241-Y245 HydrophobicContact CG2-CD2 4.4Å; V241-Y245 WeakPolarHBondContact O-CA 3.42Å; V241-Y245 VanDerWaalsContact O-CB 3.3Å; V241-Y245 WeakPolarHBondContact O-CB 3.4Å; V241-Y245 PolarHBondContact O-N 2.82Å; V241-H253 HydrophobicContact CG1-CB 4.02Å; V241-A256 HydrophobicContact CG1-CB 4.2Å; V241-E257 HydrophobicContact CG2-CB 3.86Å; V241-E257 HydrophobicContact CG2-CG 4.36Å; V241-L260 HydrophobicContact CG2-CB 4.23Å; V241-L260 HydrophobicContact CG2-CD1 4.41Å; V241-L260 HydrophobicContact CG2-CD2 4.3Å
242K93.4Very high91.6Very high138 Ų13871.1 Ų71.160%0.637%0.367SS*.Hα-helixtrans-61.2-28-179.6-71.9174.2177.5-179.50113.5M238 E239 L240M238-K242 WeakPolarHBondContact O-CG 3.44Å; M238-K242 PolarHBondContact O-N 3.12Å; M238-K242 VanDerWaalsContact O-N 3.16Å; E239-K242 PolarHBondContact O-N 3.09Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 3.39Å
243V93.4Very high92.2Very high77 Ų7770.1 Ų70.147%0.46735%0.349SS..Hα-helixtrans-87.1-48.9178.3-178.40000111.5V226 E239 L240 V241V226-V243 HydrophobicContact CB-CG1 4.46Å; V226-V243 HydrophobicContact CG1-CB 4.4Å; V226-V243 HydrophobicContact CG1-CG1 3.9Å; V226-V243 HydrophobicContact CG2-CG1 3.62Å; E239-V243 WeakPolarHBondContact O-CG2 3.43Å; E239-V243 PolarHBondContact O-N 2.92Å; L240-V243 PolarHBondContact O-N 3.02Å; V241-V243 PolarHBondContact O-N 3.13Å
244V93.2Very high92.4Very high18 Ų1873 Ų7311%0.10935%0.352CS..Hα-helixtrans-81.4-31.1-171.3172.90000112.3R219 Q222 I223 V226 L240 V241 L260R219-V244 PolarHBondContact NH1-O 3.08Å; Q222-V244 HydrophobicContact CB-CG1 4.21Å; I223-V244 HydrophobicContact CG1-CG1 4.05Å; I223-V244 HydrophobicContact CG1-CG2 4.12Å; V226-V244 HydrophobicContact CG2-CG2 3.93Å; L240-V244 VanDerWaalsContact O-CB 3.28Å; L240-V244 WeakPolarHBondContact O-CB 3.49Å; L240-V244 WeakPolarHBondContact O-CG2 3.37Å; L240-V244 PolarHBondContact O-N 3.39Å; V241-V244 PolarHBondContact O-N 2.72Å; V244-L260 HydrophobicContact CB-CD1 4.44Å
245Y91.3Very high92.3Very high14 Ų1473.8 Ų73.86%0.05536%0.363CS..THydrogen-bonded Turntrans-109.137-178.7-64.7-98.9000112R219 V241 E247 T248 A256 N259 L260R219-Y245 VanDerWaalsContact NH2-CE1 3.34Å; V241-Y245 HydrophobicContact CB-CD2 4.46Å; V241-Y245 HydrophobicContact CG1-CD2 4.35Å; V241-Y245 HydrophobicContact CG2-CD2 4.4Å; V241-Y245 WeakPolarHBondContact O-CA 3.42Å; V241-Y245 VanDerWaalsContact O-CB 3.3Å; V241-Y245 WeakPolarHBondContact O-CB 3.4Å; V241-Y245 PolarHBondContact O-N 2.82Å; Y245-E247 PolarHBondContact O-N 3.42Å; Y245-E247 VanDerWaalsContact O-N 3.11Å; Y245-T248 VanDerWaalsContact O-CB 3.31Å; Y245-T248 WeakPolarHBondContact O-CB 3.47Å; Y245-T248 PolarHBondContact O-N 3.36Å; Y245-A256 HydrophobicContact CD1-CB 3.65Å; Y245-A256 HydrophobicContact CD2-CB 4.2Å; Y245-A256 HydrophobicContact CE1-CB 3.84Å; Y245-A256 HydrophobicContact CE2-CB 4.35Å; Y245-A256 HydrophobicContact CG-CB 3.83Å; Y245-N259 PolarHBondContact OH-OD1 2.94Å; Y245-L260 HydrophobicContact CD2-CD1 4.36Å; Y245-L260 HydrophobicContact CE2-CB 4.04Å; Y245-L260 HydrophobicContact CE2-CD1 3.73Å
246K89.3Confident92.2Very high163 Ų16372.2 Ų72.271%0.70936%0.358SS*.THydrogen-bonded Turntrans-51.6-37.5-176.2-171.3-179.7177.7-174.30114.2
247E89.6Confident92.3Very high167 Ų16772.9 Ų72.978%0.7836%0.359SS*.THydrogen-bonded Turntrans-89.1-0.2-179.3-54-55.6133.100113.4Y245Y245-E247 PolarHBondContact O-N 3.42Å; Y245-E247 VanDerWaalsContact O-N 3.11Å
248T89Confident92.2Very high38 Ų3876.6 Ų76.623%0.23338%0.381CS..SBendtrans-85.6127.8177.4-59.40000109.9Y245 L252 H253Y245-T248 VanDerWaalsContact O-CB 3.31Å; Y245-T248 WeakPolarHBondContact O-CB 3.47Å; Y245-T248 PolarHBondContact O-N 3.36Å; T248-L252 HydrophobicContact CG2-CB 3.71Å; T248-L252 HydrophobicContact CG2-CD1 4.45Å; T248-H253 PolarHBondContact O-CD2 2.81Å; T248-H253 PolarHBondContact O-NE2 3.44Å
249P92.3Very high92.1Very high65 Ų6576.3 Ų76.342%0.42238%0.38SS..  trans-52.8142176.2-27.834000113.2H251 L252 H253P249-H251 VanDerWaalsContact C-N 3.26Å; P249-H251 WeakPolarHBondContact CB-CE1 3.22Å; P249-H251 WeakPolarHBondContact CB-ND1 3.45Å; P249-H251 PolarHBondContact O-N 3.19Å; P249-H251 VanDerWaalsContact O-N 3.17Å; P249-L252 HydrophobicContact CG-CD1 4.4Å; P249-L252 WeakPolarHBondContact O-CA 3.4Å; P249-L252 WeakPolarHBondContact O-CB 3.39Å; P249-L252 PolarHBondContact O-N 3.41Å; P249-H253 PolarHBondContact O-CD2 2.87Å; P249-H253 VanDerWaalsContact O-CD2 3.3Å
250E90.9Very high92.1Very high166 Ų16672 Ų7278%0.77636%0.36SS*.G310 helixtrans-56.5-36.6-175.1-68.7-169.8165.500113.9L252 H253E250-L252 PolarHBondContact O-N 3.27Å; E250-L252 VanDerWaalsContact O-N 3.11Å; E250-H253 VanDerWaalsContact O-CB 3.31Å; E250-H253 WeakPolarHBondContact O-CB 3.28Å; E250-H253 PolarHBondContact O-N 2.85Å
251H92.4Very high92.1Very high157 Ų15773.7 Ų73.773%0.72737%0.37SS*.G310 helixtrans-64.4-15.6177.769.4-89.5000113.4P249P249-H251 VanDerWaalsContact C-N 3.26Å; P249-H251 WeakPolarHBondContact CB-CE1 3.22Å; P249-H251 WeakPolarHBondContact CB-ND1 3.45Å; P249-H251 PolarHBondContact O-N 3.19Å; P249-H251 VanDerWaalsContact O-N 3.17Å
252L90.8Very high92.2Very high78 Ų7875.2 Ų75.241%0.40838%0.377SS..G310 helixtrans-98.8-2.4174.6-61.7179.1000113.2T248 P249 E250 R254 A255 A256T248-L252 HydrophobicContact CG2-CB 3.71Å; T248-L252 HydrophobicContact CG2-CD1 4.45Å; P249-L252 HydrophobicContact CG-CD1 4.4Å; P249-L252 WeakPolarHBondContact O-CA 3.4Å; P249-L252 WeakPolarHBondContact O-CB 3.39Å; P249-L252 PolarHBondContact O-N 3.41Å; E250-L252 PolarHBondContact O-N 3.27Å; E250-L252 VanDerWaalsContact O-N 3.11Å; L252-R254 PolarHBondContact O-N 3.22Å; L252-A255 PolarHBondContact O-N 3.45Å; L252-A255 VanDerWaalsContact O-N 3.09Å; L252-A256 PolarHBondContact O-N 3.31Å
253H92.1Very high92.4Very high30 Ų3068.6 Ų68.614%0.13935%0.349CS..Hα-helixtrans-61.3-32.2-176.8-75.7-172.3000113.1M238 V241 T248 P249 E250 A256 E257M238-H253 HydrophobicContact SD-CB 4.5Å; V241-H253 HydrophobicContact CG1-CB 4.02Å; T248-H253 PolarHBondContact O-CD2 2.81Å; T248-H253 PolarHBondContact O-NE2 3.44Å; P249-H253 PolarHBondContact O-CD2 2.87Å; P249-H253 VanDerWaalsContact O-CD2 3.3Å; E250-H253 VanDerWaalsContact O-CB 3.31Å; E250-H253 WeakPolarHBondContact O-CB 3.28Å; E250-H253 PolarHBondContact O-N 2.85Å; H253-A256 PolarHBondContact O-N 3.04Å; H253-E257 WeakPolarHBondContact O-CB 3.36Å; H253-E257 PolarHBondContact O-N 3.42Å
254R92.4Very high92.5Very high171 Ų17165 Ų6565%0.64533%0.327SS*.Hα-helixtrans-66.8-40.4174.9-70.4-59.9-172.5176.53.9112.7L252 E257 V258L252-R254 PolarHBondContact O-N 3.22Å; R254-E257 IonicContact CZ-OE2 2.77Å; R254-E257 IonicContact NH1-OE2 3.83Å; R254-E257 PolarHBondContact NH1-OE2 3.16Å; R254-E257 PolarHBondContact O-N 3.19Å; R254-V258 WeakPolarHBondContact O-CG2 3.49Å; R254-V258 PolarHBondContact O-N 2.81Å
255A88.8Confident92.7Very high67 Ų6768.8 Ų68.855%0.55434%0.342SS*.Hα-helixtrans-66.6-40173.600000111.3L252 E257 V258 N259L252-A255 PolarHBondContact O-N 3.45Å; L252-A255 VanDerWaalsContact O-N 3.09Å; A255-E257 VanDerWaalsContact C-N 3.33Å; A255-E257 PolarHBondContact O-N 2.82Å; A255-V258 PolarHBondContact O-N 3.47Å; A255-N259 PolarHBondContact O-N 3.36Å
256A92Very high93Very high8 Ų868.7 Ų68.77%0.06634%0.341CS..Hα-helixtrans-63.3-37.6174.500000112.5V241 Y245 L252 H253 N259 L260V241-A256 HydrophobicContact CG1-CB 4.2Å; Y245-A256 HydrophobicContact CD1-CB 3.65Å; Y245-A256 HydrophobicContact CD2-CB 4.2Å; Y245-A256 HydrophobicContact CE1-CB 3.84Å; Y245-A256 HydrophobicContact CE2-CB 4.35Å; Y245-A256 HydrophobicContact CG-CB 3.83Å; L252-A256 PolarHBondContact O-N 3.31Å; H253-A256 PolarHBondContact O-N 3.04Å; A256-N259 PolarHBondContact O-N 3.22Å; A256-L260 WeakPolarHBondContact O-CB 3.31Å; A256-L260 PolarHBondContact O-N 3.35Å
257E94.6Very high93.4Very high30 Ų3060.9 Ų60.914%0.1431%0.308CS..Hα-helixtrans-61.4-45.2175.6-175.5173.7-142.600111.6S237 M238 V241 H253 R254 A255 N259 L260 V261S237-E257 PolarHBondContact OG-OE1 3.34Å; M238-E257 HydrophobicContact CE-CB 4.17Å; M238-E257 VanDerWaalsContact CE-CD 3.42Å; M238-E257 HydrophobicContact CE-CG 4.3Å; M238-E257 WeakPolarHBondContact CE-OE2 3.38Å; V241-E257 HydrophobicContact CG2-CB 3.86Å; V241-E257 HydrophobicContact CG2-CG 4.36Å; H253-E257 WeakPolarHBondContact O-CB 3.36Å; H253-E257 PolarHBondContact O-N 3.42Å; R254-E257 IonicContact CZ-OE2 2.77Å; R254-E257 IonicContact NH1-OE2 3.83Å; R254-E257 PolarHBondContact NH1-OE2 3.16Å; R254-E257 PolarHBondContact O-N 3.19Å; A255-E257 VanDerWaalsContact C-N 3.33Å; A255-E257 PolarHBondContact O-N 2.82Å; E257-N259 VanDerWaalsContact C-N 3.32Å; E257-N259 PolarHBondContact O-N 3.35Å; E257-L260 PolarHBondContact O-N 3.19Å; E257-V261 HydrophobicContact CG-CG2 4.43Å; E257-V261 WeakPolarHBondContact O-CG2 3.4Å; E257-V261 PolarHBondContact O-N 2.99Å
258V92.2Very high93.7Very high89 Ų8956.9 Ų56.954%0.53929%0.289SS..Hα-helixtrans-56.1-49.5175.11740000110.2R254 A255 L260 V261 H262R254-V258 WeakPolarHBondContact O-CG2 3.49Å; R254-V258 PolarHBondContact O-N 2.81Å; A255-V258 PolarHBondContact O-N 3.47Å; V258-L260 PolarHBondContact O-N 3.09Å; V258-V261 PolarHBondContact O-N 3.11Å; V258-H262 PolarHBondContact O-CD2 2.95Å; V258-H262 PolarHBondContact O-N 3.22Å
259N91.5Very high94Very high36 Ų3660.3 Ų60.319%0.19330%0.301CS..Hα-helixtrans-60.6-45.1177.5-175.4-99.1000112.6Y245 A255 A256 E257 V261 H262 H263Y245-N259 PolarHBondContact OH-OD1 2.94Å; A255-N259 PolarHBondContact O-N 3.36Å; A256-N259 PolarHBondContact O-N 3.22Å; E257-N259 VanDerWaalsContact C-N 3.32Å; E257-N259 PolarHBondContact O-N 3.35Å; N259-V261 VanDerWaalsContact C-N 3.31Å; N259-V261 PolarHBondContact O-N 3.29Å; N259-H262 PolarHBondContact O-N 2.93Å; N259-H263 PolarHBondContact O-CD2 3.3Å; N259-H263 PolarHBondContact O-N 3.22Å; N259-H263 PolarHBondContact OD1-CD2 3.11Å
260L94.9Very high94.2Very high0 Ų060.5 Ų60.50%030%0.296CS..Hα-helixtrans-60.7-39.9178-176.6120.8000111.9I223 S237 L240 V241 V244 Y245 A256 E257 V258 H262 H263 L264I223-L260 HydrophobicContact CD1-CD1 3.86Å; I223-L260 HydrophobicContact CD1-CG 4.16Å; I223-L260 HydrophobicContact CG1-CD1 3.96Å; S237-L260 WeakPolarHBondContact O-CD2 3.24Å; L240-L260 HydrophobicContact CB-CD1 3.81Å; L240-L260 HydrophobicContact CB-CD2 3.86Å; L240-L260 HydrophobicContact CB-CG 4.47Å; L240-L260 HydrophobicContact CD1-CD2 4.24Å; V241-L260 HydrophobicContact CG2-CB 4.23Å; V241-L260 HydrophobicContact CG2-CD1 4.41Å; V241-L260 HydrophobicContact CG2-CD2 4.3Å; V244-L260 HydrophobicContact CB-CD1 4.44Å; Y245-L260 HydrophobicContact CD2-CD1 4.36Å; Y245-L260 HydrophobicContact CE2-CB 4.04Å; Y245-L260 HydrophobicContact CE2-CD1 3.73Å; A256-L260 WeakPolarHBondContact O-CB 3.31Å; A256-L260 PolarHBondContact O-N 3.35Å; E257-L260 PolarHBondContact O-N 3.19Å; V258-L260 PolarHBondContact O-N 3.09Å; L260-H262 VanDerWaalsContact C-N 3.31Å; L260-H262 PolarHBondContact O-N 3.23Å; L260-H263 WeakPolarHBondContact O-CB 3.43Å; L260-H263 PolarHBondContact O-N 3.42Å; L260-H263 VanDerWaalsContact O-N 3.1Å; L260-L264 HydrophobicContact CD2-CD1 3.58Å; L260-L264 HydrophobicContact CD2-CG 4.19Å; L260-L264 HydrophobicContact CG-CD1 4.36Å; L260-L264 HydrophobicContact CG-CG 4.48Å; L260-L264 WeakPolarHBondContact O-CG 3.25Å; L260-L264 PolarHBondContact O-N 3.49Å
261V95.6Very high94.4Very high36 Ų3654.6 Ų54.622%0.21828%0.279CS..Hα-helixtrans-61.8-37.9177.7167.30000111.6E257 V258 N259 H263 L264 K265E257-V261 HydrophobicContact CG-CG2 4.43Å; E257-V261 WeakPolarHBondContact O-CG2 3.4Å; E257-V261 PolarHBondContact O-N 2.99Å; V258-V261 PolarHBondContact O-N 3.11Å; N259-V261 VanDerWaalsContact C-N 3.31Å; N259-V261 PolarHBondContact O-N 3.29Å; V261-H263 VanDerWaalsContact C-N 3.34Å; V261-H263 PolarHBondContact O-N 2.94Å; V261-L264 PolarHBondContact O-N 2.85Å; V261-K265 HydrophobicContact CG1-CD 4.2Å; V261-K265 HydrophobicContact CG1-CG 4.41Å; V261-K265 WeakPolarHBondContact O-CG 3.36Å; V261-K265 PolarHBondContact O-N 3.45Å
262H96.4Very high94.6Very high31 Ų3149.8 Ų49.814%0.14426%0.257CS..Hα-helixtrans-64.8-37.7173.8-65.3-75.5000112.5F173 E174 L176 V258 N259 L260 K266F173-H262 HydrophobicContact CD2-CB 4.28Å; F173-H262 HydrophobicContact CE2-CB 3.68Å; F173-H262 AromaticContact CE2-CG 3.86Å; F173-H262 PolarHBondContact O-CE1 2.89Å; F173-H262 PolarHBondContact O-NE2 3.26Å; E174-H262 PolarHBondContact O-CE1 3.23Å; E174-H262 PolarHBondContact O-ND1 2.83Å; L176-H262 HydrophobicContact CB-CB 4.05Å; V258-H262 PolarHBondContact O-CD2 2.95Å; V258-H262 PolarHBondContact O-N 3.22Å; N259-H262 PolarHBondContact O-N 2.93Å; L260-H262 VanDerWaalsContact C-N 3.31Å; L260-H262 PolarHBondContact O-N 3.23Å; H262-K266 PolarHBondContact O-N 2.91Å
263H97.1Very high94.8Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-62-45.1171.9-80.3-79.2000112.2L176 R216 R219 I223 N259 L260 V261 K266 L267L176-H263 HydrophobicContact CD2-CB 4.34Å; L176-H263 VanDerWaalsContact CD2-CE1 3.41Å; L176-H263 WeakPolarHBondContact CD2-CE1 3.34Å; L176-H263 VanDerWaalsContact CD2-ND1 3.3Å; L176-H263 WeakPolarHBondContact CD2-ND1 3.27Å; R216-H263 PolarHBondContact O-CE1 3.37Å; R219-H263 WeakPolarHBondContact CG-NE2 3.5Å; I223-H263 HydrophobicContact CD1-CB 3.4Å; N259-H263 PolarHBondContact O-CD2 3.3Å; N259-H263 PolarHBondContact O-N 3.22Å; N259-H263 PolarHBondContact OD1-CD2 3.11Å; L260-H263 WeakPolarHBondContact O-CB 3.43Å; L260-H263 PolarHBondContact O-N 3.42Å; L260-H263 VanDerWaalsContact O-N 3.1Å; V261-H263 VanDerWaalsContact C-N 3.34Å; V261-H263 PolarHBondContact O-N 2.94Å; H263-K266 PolarHBondContact O-N 3.45Å; H263-L267 WeakPolarHBondContact O-CB 3.39Å; H263-L267 VanDerWaalsContact O-CG 3.31Å; H263-L267 WeakPolarHBondContact O-CG 3.36Å; H263-L267 PolarHBondContact O-N 2.89Å
264L96.5Very high94.9Very high0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-61.7-46.8177.7-67.3172.9000111.6I223 L227 L240 L260 V261 K266 L267 E268 I273 W286I223-L264 HydrophobicContact CG2-CD2 3.99Å; L227-L264 HydrophobicContact CD1-CD2 4.41Å; L240-L264 HydrophobicContact CD1-CD1 4.09Å; L240-L264 HydrophobicContact CD1-CD2 3.8Å; L240-L264 HydrophobicContact CD1-CG 4.49Å; L260-L264 HydrophobicContact CD2-CD1 3.58Å; L260-L264 HydrophobicContact CD2-CG 4.19Å; L260-L264 HydrophobicContact CG-CD1 4.36Å; L260-L264 HydrophobicContact CG-CG 4.48Å; L260-L264 WeakPolarHBondContact O-CG 3.25Å; L260-L264 PolarHBondContact O-N 3.49Å; V261-L264 PolarHBondContact O-N 2.85Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 3.41Å; L264-L267 PolarHBondContact O-N 3.36Å; L264-E268 WeakPolarHBondContact O-CB 3.33Å; L264-E268 PolarHBondContact O-N 3.24Å; L264-I273 HydrophobicContact CB-CD1 4.15Å; L264-I273 HydrophobicContact CD2-CD1 3.62Å; L264-I273 WeakPolarHBondContact O-CD1 3.42Å; L264-W286 HydrophobicContact CD1-CD2 3.74Å; L264-W286 HydrophobicContact CD1-CE3 3.74Å; L264-W286 HydrophobicContact CD1-CG 4.3Å; L264-W286 HydrophobicContact CD1-CH2 4.19Å; L264-W286 HydrophobicContact CD1-CZ2 4.18Å; L264-W286 HydrophobicContact CD1-CZ3 3.98Å; L264-W286 HydrophobicContact CD2-CB 4.37Å; L264-W286 HydrophobicContact CD2-CD2 4.48Å; L264-W286 HydrophobicContact CD2-CG 4.19Å; L264-W286 HydrophobicContact CG-CD2 4.49Å
265K96.4Very high94.8Very high98 Ų9841.3 Ų41.343%0.42623%0.229SC..Hα-helixtrans-58.5-42.8176.2-74176.4176.3-178.40112.2V261 E268 K269V261-K265 HydrophobicContact CG1-CD 4.2Å; V261-K265 HydrophobicContact CG1-CG 4.41Å; V261-K265 WeakPolarHBondContact O-CG 3.36Å; V261-K265 PolarHBondContact O-N 3.45Å; K265-E268 PolarHBondContact O-N 3.13Å; K265-K269 WeakPolarHBondContact O-CG 3.48Å; K265-K269 PolarHBondContact O-N 3.41Å
266K97.6Very high94.6Very high12 Ų1239.2 Ų39.25%0.05221%0.212CC..Hα-helixtrans-61.1-50.3174.6171.8172.9-179.1-60.60111.5L176 Y177 M180 E220 H262 H263 L264 E268 K269 E270L176-K266 HydrophobicContact CB-CB 4.3Å; L176-K266 HydrophobicContact CB-CD 4.35Å; L176-K266 HydrophobicContact CD2-CB 4.39Å; L176-K266 HydrophobicContact CD2-CD 3.94Å; L176-K266 HydrophobicContact CG-CB 4.49Å; L176-K266 HydrophobicContact CG-CD 3.78Å; Y177-K266 HydrophobicContact CD2-CG 4.13Å; M180-K266 HydrophobicContact CG-CD 4.4Å; E220-K266 IonicContact OE1-NZ 3.85Å; E220-K266 PolarHBondContact OE1-NZ 3.34Å; E220-K266 WeakPolarHBondContact OE2-CD 3.21Å; E220-K266 WeakPolarHBondContact OE2-CE 3.35Å; E220-K266 IonicContact OE2-NZ 3.84Å; E220-K266 PolarHBondContact OE2-NZ 3.35Å; H262-K266 PolarHBondContact O-N 2.91Å; H263-K266 PolarHBondContact O-N 3.45Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 3.41Å; K266-E268 VanDerWaalsContact C-N 3.26Å; K266-E268 PolarHBondContact O-N 2.98Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 2.93Å; K266-E270 VanDerWaalsContact CE-OE1 3.3Å; K266-E270 WeakPolarHBondContact CE-OE1 3.21Å; K266-E270 VanDerWaalsContact NZ-CD 3.31Å; K266-E270 IonicContact NZ-OE1 3.05Å; K266-E270 PolarHBondContact NZ-OE1 3.32Å; K266-E270 IonicContact NZ-OE2 3.54Å; K266-E270 PolarHBondContact NZ-OE2 3.46Å; K266-E270 WeakPolarHBondContact O-CG 3.07Å; K266-E270 PolarHBondContact O-N 3.08Å
267L97.2Very high93.4Very high0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-61.5-35.5179.8-73.1174.9000112.5E220 I223 L224 H263 L264 E270 G271 K272 I273E220-L267 HydrophobicContact CG-CD1 4.24Å; E220-L267 HydrophobicContact CG-CD2 3.57Å; E220-L267 HydrophobicContact CG-CG 4.07Å; I223-L267 HydrophobicContact CG2-CD1 4.04Å; L224-L267 HydrophobicContact CD1-CD2 3.81Å; L224-L267 HydrophobicContact CD2-CD1 3.9Å; L224-L267 HydrophobicContact CD2-CD2 3.85Å; L224-L267 HydrophobicContact CD2-CG 4.46Å; L224-L267 HydrophobicContact CG-CD1 3.93Å; L224-L267 HydrophobicContact CG-CD2 3.87Å; H263-L267 WeakPolarHBondContact O-CB 3.39Å; H263-L267 VanDerWaalsContact O-CG 3.31Å; H263-L267 WeakPolarHBondContact O-CG 3.36Å; H263-L267 PolarHBondContact O-N 2.89Å; L264-L267 PolarHBondContact O-N 3.36Å; L267-E270 PolarHBondContact O-N 3.46Å; L267-G271 PolarHBondContact O-N 2.85Å; L267-K272 HydrophobicContact CD2-CB 4.21Å; L267-K272 HydrophobicContact CD2-CD 3.51Å; L267-K272 PolarHBondContact O-N 3.17Å; L267-I273 HydrophobicContact CB-CD1 3.75Å; L267-I273 HydrophobicContact CB-CG1 3.81Å; L267-I273 HydrophobicContact CB-CG2 4.2Å; L267-I273 HydrophobicContact CD1-CD1 4.47Å; L267-I273 HydrophobicContact CD1-CG2 4.46Å
268E95.9Very high91.6Very high83 Ų8345.1 Ų45.139%0.38825%0.251SS..Hα-helixtrans-67.5-47.2174.6179.7176.4-154.800111.3L264 K265 K266 E270 G271 I273 V275L264-E268 WeakPolarHBondContact O-CB 3.33Å; L264-E268 PolarHBondContact O-N 3.24Å; K265-E268 PolarHBondContact O-N 3.13Å; K266-E268 VanDerWaalsContact C-N 3.26Å; K266-E268 PolarHBondContact O-N 2.98Å; E268-E270 PolarHBondContact O-N 3.33Å; E268-G271 PolarHBondContact O-N 3.41Å; E268-I273 HydrophobicContact CB-CG1 4.08Å; E268-V275 VanDerWaalsContact OE1-CG2 3.22Å; E268-V275 WeakPolarHBondContact OE1-CG2 3.32Å
269K96.1Very high89.8Confident110 Ų11049.2 Ų49.248%0.47827%0.27SS..Hα-helixtrans-55.7-34.1172.7-78.4-179.4170.8-175.70112.4D175 Y177 D178 K265 K266 G271D175-K269 IonicContact OD1-NZ 2.72Å; D175-K269 PolarHBondContact OD1-NZ 3.14Å; D175-K269 VanDerWaalsContact OD1-NZ 3.14Å; D175-K269 IonicContact OD2-NZ 3.33Å; D175-K269 PolarHBondContact OD2-NZ 3Å; Y177-K269 HydrophobicContact CD1-CD 4.24Å; Y177-K269 HydrophobicContact CG-CD 4.14Å; D178-K269 IonicContact OD2-NZ 2.79Å; K265-K269 WeakPolarHBondContact O-CG 3.48Å; K265-K269 PolarHBondContact O-N 3.41Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 2.93Å; K269-G271 VanDerWaalsContact C-N 3.29Å
270E96.3Very high88.1Confident68 Ų6852.5 Ų52.532%0.31830%0.296SS..THydrogen-bonded Turntrans-82.6-1.9176.6-69.8176.1173.700113.9Y177 K266 L267 E268 K272Y177-E270 HydrophobicContact CD2-CG 3.93Å; Y177-E270 HydrophobicContact CE2-CG 3.75Å; K266-E270 VanDerWaalsContact CE-OE1 3.3Å; K266-E270 WeakPolarHBondContact CE-OE1 3.21Å; K266-E270 VanDerWaalsContact NZ-CD 3.31Å; K266-E270 IonicContact NZ-OE1 3.05Å; K266-E270 PolarHBondContact NZ-OE1 3.32Å; K266-E270 IonicContact NZ-OE2 3.54Å; K266-E270 PolarHBondContact NZ-OE2 3.46Å; K266-E270 WeakPolarHBondContact O-CG 3.07Å; K266-E270 PolarHBondContact O-N 3.08Å; L267-E270 PolarHBondContact O-N 3.46Å; E268-E270 PolarHBondContact O-N 3.33Å; E270-K272 HydrophobicContact CB-CD 4.27Å; E270-K272 HydrophobicContact CB-CG 4.26Å; E270-K272 PolarHBondContact O-N 2.77Å; E270-K272 WeakPolarHBondContact OE2-CE 3.48Å; E270-K272 IonicContact OE2-NZ 3.37Å; E270-K272 PolarHBondContact OE2-NZ 3.09Å
271G95.7Very high86.3Confident42 Ų4254.3 Ų54.343%0.43331%0.309SS..THydrogen-bonded Turntrans70.611.5-179.800000114.8L267 E268 K269 N289L267-G271 PolarHBondContact O-N 2.85Å; E268-G271 PolarHBondContact O-N 3.41Å; K269-G271 VanDerWaalsContact C-N 3.29Å; G271-N289 PolarHBondContact O-ND2 3.21Å
272K95.7Very high84.8Confident57 Ų5762.6 Ų62.625%0.24835%0.345CS..SBendtrans-78.3-23.3-179.8-69.1171.6175.3162.60113E220 L224 L267 E270 N289 L290E220-K272 IonicContact OE1-NZ 3.3Å; E220-K272 PolarHBondContact OE1-NZ 3.23Å; E220-K272 VanDerWaalsContact OE1-NZ 3.11Å; L224-K272 HydrophobicContact CD1-CD 4.27Å; L224-K272 HydrophobicContact CD2-CB 4.29Å; L267-K272 HydrophobicContact CD2-CB 4.21Å; L267-K272 HydrophobicContact CD2-CD 3.51Å; L267-K272 PolarHBondContact O-N 3.17Å; E270-K272 HydrophobicContact CB-CD 4.27Å; E270-K272 HydrophobicContact CB-CG 4.26Å; E270-K272 PolarHBondContact O-N 2.77Å; E270-K272 WeakPolarHBondContact OE2-CE 3.48Å; E270-K272 IonicContact OE2-NZ 3.37Å; E270-K272 PolarHBondContact OE2-NZ 3.09Å; K272-N289 PolarHBondContact O-N 2.77Å; K272-L290 HydrophobicContact CB-CD1 4.39Å; K272-L290 HydrophobicContact CG-CD1 4.46Å
273I95.3Very high83.8Confident2 Ų264.5 Ų64.51%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-136.1162.6177.171.3174.8000109.6L224 L227 L264 L267 E268 W286 K287 N289L224-I273 HydrophobicContact CD2-CG2 4.14Å; L227-I273 HydrophobicContact CD1-CG2 3.69Å; L264-I273 HydrophobicContact CB-CD1 4.15Å; L264-I273 HydrophobicContact CD2-CD1 3.62Å; L264-I273 WeakPolarHBondContact O-CD1 3.42Å; L267-I273 HydrophobicContact CB-CD1 3.75Å; L267-I273 HydrophobicContact CB-CG1 3.81Å; L267-I273 HydrophobicContact CB-CG2 4.2Å; L267-I273 HydrophobicContact CD1-CD1 4.47Å; L267-I273 HydrophobicContact CD1-CG2 4.46Å; E268-I273 HydrophobicContact CB-CG1 4.08Å; I273-W286 HydrophobicContact CD1-CB 4.24Å; I273-W286 HydrophobicContact CD1-CG 4.12Å; I273-K287 VanDerWaalsContact CA-O 3.25Å; I273-K287 WeakPolarHBondContact CA-O 3.28Å; I273-K287 VanDerWaalsContact CB-O 3.27Å; I273-K287 WeakPolarHBondContact CB-O 3.49Å; I273-N289 VanDerWaalsContact C-ND2 3.27Å; I273-N289 PolarHBondContact O-ND2 2.71Å
274T93.8Very high83.3Confident51 Ų5169 Ų6931%0.31338%0.382SS..EExtended strand (participates in β ladder)trans-129148.4172.744.20000110.9A276 W286 K287 N289T274-A276 PolarHBondContact O-N 3.03Å; T274-W286 WeakPolarHBondContact O-CA 3.37Å; T274-K287 PolarHBondContact N-O 3.27Å; T274-K287 PolarHBondContact O-N 3.49Å; T274-K287 VanDerWaalsContact O-N 3.09Å; T274-K287 WeakPolarHBondContact OG1-CE 3.22Å; T274-N289 WeakPolarHBondContact CB-OD1 3.22Å; T274-N289 VanDerWaalsContact CG2-ND2 3.28Å; T274-N289 WeakPolarHBondContact CG2-ND2 3.38Å; T274-N289 WeakPolarHBondContact CG2-OD1 3.49Å; T274-N289 PolarHBondContact N-OD1 2.72Å; T274-N289 PolarHBondContact OG1-OD1 3.08Å
275V91.3Very high83Confident47 Ų4771.2 Ų71.229%0.28539%0.392SS..EExtended strand (participates in β ladder)trans-74.7120.2164.7175.80000108.3E268 N284 K285 W286E268-V275 VanDerWaalsContact OE1-CG2 3.22Å; E268-V275 WeakPolarHBondContact OE1-CG2 3.32Å; V275-N284 HydrophobicContact CG1-CB 4.23Å; V275-K285 CarbonylContact C-O 3.55Å; V275-K285 WeakPolarHBondContact CA-O 3.37Å; V275-W286 VanDerWaalsContact CG2-NE1 3.34Å
276A83.4Confident82.9Confident24 Ų2467.4 Ų67.420%0.19838%0.375CS..EExtended strand (participates in β ladder)trans-87.8107.1165.500000107.3T234 T274 D278 K285T234-A276 HydrophobicContact CG2-CB 3.49Å; T234-A276 VanDerWaalsContact CG2-CB 3.49Å; T274-A276 PolarHBondContact O-N 3.03Å; A276-D278 PolarHBondContact O-N 3.49Å; A276-K285 PolarHBondContact N-O 3.09Å
277S67.1Low82.6Confident104 Ų10470.7 Ų70.773%0.72739%0.389SS*.  trans-64.6119172.150.90000109.3
278D57.2Low82.4Confident58 Ų5871.8 Ų71.831%0.3140%0.397SS..  trans-105.598.1171.1-164.5-15.5000107.1A276 S280 S281 K285A276-D278 PolarHBondContact O-N 3.49Å; D278-S280 PolarHBondContact O-N 2.9Å; D278-S280 PolarHBondContact OD1-OG 2.72Å; D278-S281 PolarHBondContact O-N 2.79Å; D278-S281 VanDerWaalsContact O-N 3.08Å; D278-K285 IonicContact OD2-NZ 3.25Å; D278-K285 PolarHBondContact OD2-NZ 2.66Å
279D54.6Low82.1Confident174 Ų17471.4 Ų71.493%0.9340%0.397SS*.THydrogen-bonded Turntrans-56.3-10.8-176.5-87.5-22.3000113.7
280S56.2Low81.5Confident105 Ų10573 Ų7373%0.73441%0.411SS*.THydrogen-bonded Turntrans-96.1-19.5-178.2720000114.7D278D278-S280 PolarHBondContact O-N 2.9Å; D278-S280 PolarHBondContact OD1-OG 2.72Å
281S56.9Low80.8Confident38 Ų3873.3 Ų73.327%0.26642%0.415SS..  trans-128.4124.6-17973.60000109.4D278 T283D278-S281 PolarHBondContact O-N 2.79Å; D278-S281 VanDerWaalsContact O-N 3.08Å; S281-T283 PolarHBondContact O-N 2.74Å
282H64Low80Confident211 Ų21174.9 Ų74.998%0.97742%0.415SS*.SBendtrans-65.125174.3-64.9-67.2000113.7
283T75.5Confident79.1Confident71 Ų7175.9 Ų75.944%0.43642%0.424SS..SBendtrans-120.5118.7-175.8-38.50000108.5S281 K285S281-T283 PolarHBondContact O-N 2.74Å; T283-K285 PolarHBondContact O-N 3.31Å
284N86.3Confident78.2Confident94 Ų9480.3 Ų80.350%0.50345%0.448SS..  trans-60.5138.9173.8-69.8-13.8000109.7V275 W286V275-N284 HydrophobicContact CG1-CB 4.23Å; N284-W286 HydrophobicContact CB-CH2 3.52Å; N284-W286 HydrophobicContact CB-CZ2 3.8Å; N284-W286 HydrophobicContact CB-CZ3 3.95Å; N284-W286 WeakPolarHBondContact O-CZ3 3.08Å
285K91.3Very high77.2Confident47 Ų4782.1 Ų82.120%0.20446%0.457CS..EExtended strand (participates in β ladder)trans-122148.1169.7-59.9179.9-179.2161.70109.8F235 V275 A276 D278 T283F235-K285 CarbonylContact O-C 3.47Å; F235-K285 WeakPolarHBondContact O-CA 3.22Å; V275-K285 CarbonylContact C-O 3.55Å; V275-K285 WeakPolarHBondContact CA-O 3.37Å; A276-K285 PolarHBondContact N-O 3.09Å; D278-K285 IonicContact OD2-NZ 3.25Å; D278-K285 PolarHBondContact OD2-NZ 2.66Å; T283-K285 PolarHBondContact O-N 3.31Å
286W93.2Very high76.3Confident17 Ų1784.5 Ų84.56%0.06447%0.468CS..EExtended strand (participates in β ladder)trans-119.3146.5-176.9-66-95.7000111.3T234 F235 L264 I273 T274 V275 N284T234-W286 CarbonylContact C-O 3.56Å; T234-W286 VanDerWaalsContact CA-O 3.32Å; T234-W286 WeakPolarHBondContact CA-O 3.48Å; F235-W286 PolarHBondContact N-O 3.14Å; F235-W286 PolarHBondContact O-N 2.81Å; L264-W286 HydrophobicContact CD1-CD2 3.74Å; L264-W286 HydrophobicContact CD1-CE3 3.74Å; L264-W286 HydrophobicContact CD1-CG 4.3Å; L264-W286 HydrophobicContact CD1-CH2 4.19Å; L264-W286 HydrophobicContact CD1-CZ2 4.18Å; L264-W286 HydrophobicContact CD1-CZ3 3.98Å; L264-W286 HydrophobicContact CD2-CB 4.37Å; L264-W286 HydrophobicContact CD2-CD2 4.48Å; L264-W286 HydrophobicContact CD2-CG 4.19Å; L264-W286 HydrophobicContact CG-CD2 4.49Å; I273-W286 HydrophobicContact CD1-CB 4.24Å; I273-W286 HydrophobicContact CD1-CG 4.12Å; T274-W286 WeakPolarHBondContact O-CA 3.37Å; V275-W286 VanDerWaalsContact CG2-NE1 3.34Å; N284-W286 HydrophobicContact CB-CH2 3.52Å; N284-W286 HydrophobicContact CB-CZ2 3.8Å; N284-W286 HydrophobicContact CB-CZ3 3.95Å; N284-W286 WeakPolarHBondContact O-CZ3 3.08Å
287K91.9Very high75.8Confident82 Ų8288.8 Ų88.836%0.35749%0.487SS..EExtended strand (participates in β ladder)trans-135.5157.2171.264.2176.8-175.71780111T234 I273 T274T234-K287 HydrophobicContact CG2-CB 4.13Å; T234-K287 HydrophobicContact CG2-CD 4.33Å; I273-K287 VanDerWaalsContact CA-O 3.25Å; I273-K287 WeakPolarHBondContact CA-O 3.28Å; I273-K287 VanDerWaalsContact CB-O 3.27Å; I273-K287 WeakPolarHBondContact CB-O 3.49Å; T274-K287 PolarHBondContact N-O 3.27Å; T274-K287 PolarHBondContact O-N 3.49Å; T274-K287 VanDerWaalsContact O-N 3.09Å; T274-K287 WeakPolarHBondContact OG1-CE 3.22Å
288S91.9Very high76.4Confident22 Ų2287.6 Ų87.615%0.15447%0.469CS..EExtended strand (participates in β ladder)trans-69.9146.1175.1-161.50000112L290S288-L290 PolarHBondContact OG-N 2.87Å
289N90.1Very high78Confident75 Ų7590.1 Ų90.140%0.40148%0.482SS..  trans-100.8-4166.8-61.7-16.7000112.4G271 K272 I273 T274G271-N289 PolarHBondContact O-ND2 3.21Å; K272-N289 PolarHBondContact O-N 2.77Å; I273-N289 VanDerWaalsContact C-ND2 3.27Å; I273-N289 PolarHBondContact O-ND2 2.71Å; T274-N289 WeakPolarHBondContact CB-OD1 3.22Å; T274-N289 VanDerWaalsContact CG2-ND2 3.28Å; T274-N289 WeakPolarHBondContact CG2-ND2 3.38Å; T274-N289 WeakPolarHBondContact CG2-OD1 3.49Å; T274-N289 PolarHBondContact N-OD1 2.72Å; T274-N289 PolarHBondContact OG1-OD1 3.08Å
290L84.4Confident80.2Confident145 Ų14582.5 Ų82.576%0.75944%0.441SS*.  trans-90.80-175.6-60.3176000111.8L224 Q228 K272 S288L224-L290 HydrophobicContact CD2-CD1 4.28Å; Q228-L290 HydrophobicContact CG-CB 4.45Å; Q228-L290 VanDerWaalsContact NE2-CD1 3.34Å; K272-L290 HydrophobicContact CB-CD1 4.39Å; K272-L290 HydrophobicContact CG-CD1 4.46Å; S288-L290 PolarHBondContact OG-N 2.87Å

Retrieved 290 of 290 residues in 752.5 ms (Link to these results)

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