A0A3Q0KEK9_SCHMA Loading...

Putative ww domain-binding protein 2 (WBP-2)

AlphaFold DB , UniProt , Accession A0A3Q0KEK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 316 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
1M87.2Confident85.6Confident37 Ų3739.1 Ų39.118%0.18223%0.231CC..  0141.60-176.3175.8178.400108.5Q3 L36 V62 F65 G97M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 VanDerWaalsContact O-CG 3.3Å; M1-Q3 WeakPolarHBondContact O-CG 3.3Å; M1-Q3 PolarHBondContact O-N 3.37Å; M1-L36 HydrophobicContact CE-CD1 4.19Å; M1-L36 HydrophobicContact SD-CD1 3.84Å; M1-V62 HydrophobicContact CE-CB 4.2Å; M1-V62 HydrophobicContact CE-CG1 4.13Å; M1-V62 HydrophobicContact CE-CG2 3.61Å; M1-F65 HydrophobicContact CB-CD2 4.22Å; M1-F65 HydrophobicContact CG-CD2 4.29Å; M1-G97 WeakPolarHBondContact CB-O 3.41Å; M1-G97 PolarHBondContact N-O 3.33Å
2N88.3Confident86.1Confident52 Ų5235.8 Ų35.828%0.27821%0.212SC..  trans5041178.9-65.9-13.1000115H5 G61 L63 S64N2-H5 PolarHBondContact O-CE1 2.88Å; N2-H5 VanDerWaalsContact O-CE1 3.28Å; N2-G61 PolarHBondContact ND2-O 3.22Å; N2-L63 PolarHBondContact OD1-N 2.76Å; N2-S64 WeakPolarHBondContact CA-OG 3.35Å; N2-S64 PolarHBondContact N-O 2.77Å; N2-S64 PolarHBondContact OD1-N 2.67Å; N2-S64 PolarHBondContact OD1-O 2.72Å
3Q86.8Confident86.5Confident41 Ų4133.2 Ų33.219%0.19220%0.196CC..  trans-130.1-0.2-175-77.3165.3-8.100113.7M1 S64 N96 V144 A145M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 VanDerWaalsContact O-CG 3.3Å; M1-Q3 WeakPolarHBondContact O-CG 3.3Å; M1-Q3 PolarHBondContact O-N 3.37Å; Q3-S64 PolarHBondContact N-OG 2.88Å; Q3-N96 PolarHBondContact NE2-O 3.44Å; Q3-V144 HydrophobicContact CB-CB 4.43Å; Q3-V144 WeakPolarHBondContact O-CB 3.43Å; Q3-V144 WeakPolarHBondContact O-CG1 3.5Å; Q3-A145 HydrophobicContact CG-CB 4.14Å
4S91.5Very high86.8Confident1 Ų131 Ų311%0.00718%0.183CC..SBendtrans-129.229.4-171.2-56.30000112.5V12 V13 R50 I54 S64 S66S4-V12 WeakPolarHBondContact O-CA 3.41Å; S4-V13 PolarHBondContact O-N 2.94Å; S4-R50 PolarHBondContact OG-NH1 3.19Å; S4-I54 VanDerWaalsContact O-CD1 3.3Å; S4-I54 WeakPolarHBondContact O-CD1 3.2Å; S4-S64 PolarHBondContact N-OG 3.39Å; S4-S64 VanDerWaalsContact N-OG 3.11Å; S4-S66 WeakPolarHBondContact CB-OG 3.45Å; S4-S66 PolarHBondContact OG-OG 3.4Å
5H89.1Confident86.9Confident37 Ų3729.8 Ų29.817%0.17118%0.175CC..BIsolated β-bridgetrans-122.4152.2176.256.4-83.9000110.9N2 G11 V13 I54 L63 S64N2-H5 PolarHBondContact O-CE1 2.88Å; N2-H5 VanDerWaalsContact O-CE1 3.28Å; H5-G11 VanDerWaalsContact CA-O 3.22Å; H5-G11 WeakPolarHBondContact CA-O 3.27Å; H5-V13 WeakPolarHBondContact O-CG2 3.47Å; H5-I54 HydrophobicContact CB-CD1 4.03Å; H5-L63 VanDerWaalsContact CE1-CB 3.5Å; H5-L63 WeakPolarHBondContact CE1-CB 3.41Å; H5-L63 VanDerWaalsContact NE2-CD1 3.27Å; H5-L63 WeakPolarHBondContact NE2-CD1 3.47Å; H5-S64 WeakPolarHBondContact ND1-CB 3.49Å; H5-S64 PolarHBondContact ND1-OG 2.87Å
6S87.2Confident86.7Confident0 Ų034 Ų340%019%0.187CC..  trans-68.8161.8169.655.20000111N8 G9 G11 Y188S6-N8 PolarHBondContact O-N 3Å; S6-N8 VanDerWaalsContact O-N 3.12Å; S6-N8 PolarHBondContact OG-OD1 2.94Å; S6-G9 WeakPolarHBondContact O-CA 3.37Å; S6-G9 PolarHBondContact O-N 3.18Å; S6-G11 PolarHBondContact N-O 2.66Å; S6-G11 VanDerWaalsContact OG-CA 3.27Å; S6-G11 WeakPolarHBondContact OG-CA 3.35Å; S6-G11 PolarHBondContact OG-N 2.99Å; S6-Y188 VanDerWaalsContact CB-CE2 3.42Å
7A81.3Confident86.4Confident85 Ų8533.8 Ų33.870%0.70220%0.195SC*.THydrogen-bonded Turntrans-55.8-31.7-178.800000113.9G9 Y153A7-G9 VanDerWaalsContact C-N 3.26Å; A7-G9 PolarHBondContact O-N 2.83Å; A7-Y153 WeakPolarHBondContact CB-OH 3.23Å; A7-Y153 PolarHBondContact N-OH 3.06Å
8N79.2Confident86.5Confident93 Ų9332.5 Ų32.550%0.49719%0.187SC..THydrogen-bonded Turntrans-81.10.2175.168.90.6000114S6 N10S6-N8 PolarHBondContact O-N 3Å; S6-N8 VanDerWaalsContact O-N 3.12Å; S6-N8 PolarHBondContact OG-OD1 2.94Å; N8-N10 PolarHBondContact O-N 2.82Å; N8-N10 PolarHBondContact OD1-N 3.44Å; N8-N10 VanDerWaalsContact OD1-N 3.08Å
9G80.8Confident86.7Confident12 Ų1234.7 Ų34.712%0.12419%0.191CC..SBendtrans71.71.7179.800000115.3S6 A7 I54S6-G9 WeakPolarHBondContact O-CA 3.37Å; S6-G9 PolarHBondContact O-N 3.18Å; A7-G9 VanDerWaalsContact C-N 3.26Å; A7-G9 PolarHBondContact O-N 2.83Å; G9-I54 WeakPolarHBondContact O-CG2 3.35Å
10N82.2Confident87Confident72 Ų7233.5 Ų33.539%0.38519%0.185SC..SBendtrans-103-16.6-172.5-81.3-28.3000115N8 R43N8-N10 PolarHBondContact O-N 2.82Å; N8-N10 PolarHBondContact OD1-N 3.44Å; N8-N10 VanDerWaalsContact OD1-N 3.08Å; N10-R43 PolarHBondContact O-NH1 2.83Å; N10-R43 PolarHBondContact OD1-NH2 3.44Å
11G88Confident87.3Confident0 Ų031.9 Ų31.90%018%0.176CC..SBendtrans-109.4168.5176.300000113H5 S6 T186H5-G11 VanDerWaalsContact CA-O 3.22Å; H5-G11 WeakPolarHBondContact CA-O 3.27Å; S6-G11 PolarHBondContact N-O 2.66Å; S6-G11 VanDerWaalsContact OG-CA 3.27Å; S6-G11 WeakPolarHBondContact OG-CA 3.35Å; S6-G11 PolarHBondContact OG-N 2.99Å; G11-T186 CarbonylContact C-O 3.44Å; G11-T186 WeakPolarHBondContact CA-O 3.15Å
12V92Very high87.8Confident0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-106.8141.9175.567.10000109.6S4 L14 Y45 I52 I54 T186 L187 Y188S4-V12 WeakPolarHBondContact O-CA 3.41Å; V12-L14 HydrophobicContact CG1-CD2 4.41Å; V12-L14 HydrophobicContact CG2-CD2 3.96Å; V12-Y45 HydrophobicContact CB-CD1 4.27Å; V12-Y45 HydrophobicContact CB-CD2 4.05Å; V12-Y45 HydrophobicContact CB-CE1 4.12Å; V12-Y45 HydrophobicContact CB-CE2 3.93Å; V12-Y45 HydrophobicContact CB-CG 4.22Å; V12-Y45 HydrophobicContact CG1-CD1 3.64Å; V12-Y45 HydrophobicContact CG1-CD2 4.31Å; V12-Y45 HydrophobicContact CG1-CE1 3.47Å; V12-Y45 VanDerWaalsContact CG1-CE1 3.47Å; V12-Y45 HydrophobicContact CG1-CE2 4.21Å; V12-Y45 HydrophobicContact CG1-CG 4.05Å; V12-Y45 HydrophobicContact CG2-CD2 4.15Å; V12-Y45 HydrophobicContact CG2-CG 4.21Å; V12-I52 HydrophobicContact CG2-CB 4.25Å; V12-I52 HydrophobicContact CG2-CD1 3.59Å; V12-I52 HydrophobicContact CG2-CG2 3.89Å; V12-I54 HydrophobicContact CB-CD1 4.26Å; V12-I54 HydrophobicContact CB-CG1 4.22Å; V12-I54 HydrophobicContact CG2-CD1 4.23Å; V12-I54 HydrophobicContact CG2-CG1 4.47Å; V12-T186 PolarHBondContact N-O 3.37Å; V12-L187 HydrophobicContact CG1-CD1 3.29Å; V12-Y188 PolarHBondContact O-N 2.87Å
13V91.4Very high88.2Confident1 Ų128.5 Ų28.51%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-111.3116176.8179.90000109S4 H5 V144 Y153 Y188 V190S4-V13 PolarHBondContact O-N 2.94Å; H5-V13 WeakPolarHBondContact O-CG2 3.47Å; V13-V144 HydrophobicContact CG1-CG1 4.06Å; V13-Y153 HydrophobicContact CG2-CD1 3.82Å; V13-Y153 HydrophobicContact CG2-CE1 4.34Å; V13-Y153 HydrophobicContact CG2-CG 3.96Å; V13-Y188 WeakPolarHBondContact CA-O 3.42Å; V13-V190 HydrophobicContact CG1-CG1 3.66Å
14L90.4Very high88.7Confident3 Ų326.5 Ų26.52%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-96.9156.2179.3-57.1-170000111.4V12 E18 M20 T47 I52 L187 Y188 Q189 V190V12-L14 HydrophobicContact CG1-CD2 4.41Å; V12-L14 HydrophobicContact CG2-CD2 3.96Å; L14-E18 WeakPolarHBondContact CA-OE2 3.29Å; L14-E18 HydrophobicContact CB-CB 4.19Å; L14-E18 HydrophobicContact CB-CG 4.3Å; L14-E18 HydrophobicContact CD2-CG 4.31Å; L14-M20 HydrophobicContact CD1-CB 4.41Å; L14-T47 HydrophobicContact CD2-CG2 3.82Å; L14-I52 HydrophobicContact CD2-CD1 3.64Å; L14-L187 HydrophobicContact CD1-CD1 3.69Å; L14-L187 HydrophobicContact CD1-CG 4.43Å; L14-L187 HydrophobicContact CG-CD1 3.97Å; L14-Y188 PolarHBondContact N-O 3.44Å; L14-Q189 CarbonylContact O-C 3.33Å; L14-Q189 VanDerWaalsContact O-CA 3.26Å; L14-Q189 WeakPolarHBondContact O-CA 3.28Å; L14-V190 WeakPolarHBondContact O-CG2 3.46Å; L14-V190 PolarHBondContact O-N 2.78Å
15F88.4Confident88.9Confident13 Ų1328.4 Ų28.46%0.05716%0.158CC..PPolyproline II helixtrans-74.2163166.6-73-72.7000111.8G17 E18 V144 V190 A192 P193 P194 P195 Y196F15-G17 PolarHBondContact O-N 2.83Å; F15-E18 HydrophobicContact CB-CB 4.11Å; F15-E18 PolarHBondContact N-OE2 2.84Å; F15-E18 VanDerWaalsContact O-CB 3.28Å; F15-E18 WeakPolarHBondContact O-CB 3.47Å; F15-E18 PolarHBondContact O-N 3.14Å; F15-E18 VanDerWaalsContact O-N 3.09Å; F15-V144 HydrophobicContact CD1-CG2 4.22Å; F15-V144 HydrophobicContact CE1-CG2 3.33Å; F15-V144 HydrophobicContact CE2-CG2 3.81Å; F15-V144 HydrophobicContact CZ-CG2 3.07Å; F15-V190 HydrophobicContact CD1-CG2 4Å; F15-A192 HydrophobicContact CD1-CB 4.32Å; F15-A192 WeakPolarHBondContact CD1-O 3.41Å; F15-P193 WeakPolarHBondContact CD1-O 3.48Å; F15-P194 HydrophobicContact CB-CB 4.22Å; F15-P194 HydrophobicContact CB-CG 3.62Å; F15-P194 HydrophobicContact CD2-CB 4.03Å; F15-P194 HydrophobicContact CD2-CG 4.3Å; F15-P194 HydrophobicContact CG-CB 4.19Å; F15-P194 HydrophobicContact CG-CG 4.14Å; F15-P195 HydrophobicContact CE2-CG 4.43Å; F15-P195 HydrophobicContact CZ-CG 4.02Å; F15-Y196 HydrophobicContact CE2-CE1 4.46Å; F15-Y196 WeakPolarHBondContact CE2-OH 3.42Å
16Y83.3Confident89.3Confident97 Ų9727.2 Ų27.238%0.3816%0.156SC..THydrogen-bonded Turntrans-61.7130.1173.3-175.9-109.9000110.8E18 V190 R191 A192 P194 F208Y16-E18 PolarHBondContact O-N 3Å; Y16-V190 WeakPolarHBondContact CB-O 3.42Å; Y16-V190 PolarHBondContact N-O 2.98Å; Y16-R191 WeakPolarHBondContact CB-O 3.18Å; Y16-A192 PolarHBondContact N-O 3.2Å; Y16-P194 WeakPolarHBondContact O-CD 3.33Å; Y16-F208 AromaticContact CD1-CD1 3.89Å; Y16-F208 HydrophobicContact CD1-CD1 3.89Å; Y16-F208 HydrophobicContact CE1-CD1 4.38Å; Y16-F208 WeakPolarHBondContact O-CE1 3.34Å
17G81.3Confident89.8Confident30 Ų3027.2 Ų27.231%0.30916%0.156SC..THydrogen-bonded Turntrans76.5-4.6-175.600000115.1F15 R19F15-G17 PolarHBondContact O-N 2.83Å; G17-R19 PolarHBondContact O-N 2.64Å
18E88.9Confident90.6Very high11 Ų1125.5 Ų25.55%0.05113%0.133CC..  trans-74.6124.3171.6-177.6176.7-161.900109.5L14 F15 Y16 T47 R50L14-E18 WeakPolarHBondContact CA-OE2 3.29Å; L14-E18 HydrophobicContact CB-CB 4.19Å; L14-E18 HydrophobicContact CB-CG 4.3Å; L14-E18 HydrophobicContact CD2-CG 4.31Å; F15-E18 HydrophobicContact CB-CB 4.11Å; F15-E18 PolarHBondContact N-OE2 2.84Å; F15-E18 VanDerWaalsContact O-CB 3.28Å; F15-E18 WeakPolarHBondContact O-CB 3.47Å; F15-E18 PolarHBondContact O-N 3.14Å; F15-E18 VanDerWaalsContact O-N 3.09Å; Y16-E18 PolarHBondContact O-N 3Å; E18-T47 HydrophobicContact CG-CG2 4.21Å; E18-T47 VanDerWaalsContact OE1-CB 3.29Å; E18-T47 WeakPolarHBondContact OE1-CB 3.27Å; E18-T47 WeakPolarHBondContact OE1-CG2 3.34Å; E18-T47 PolarHBondContact OE1-OG1 2.9Å; E18-R50 WeakPolarHBondContact OE1-CG 3.36Å; E18-R50 IonicContact OE1-CZ 3.88Å; E18-R50 IonicContact OE1-NE 3.84Å; E18-R50 PolarHBondContact OE1-NE 3.03Å; E18-R50 IonicContact OE1-NH2 2.93Å; E18-R50 IonicContact OE2-CZ 2.74Å; E18-R50 IonicContact OE2-NE 3.28Å; E18-R50 PolarHBondContact OE2-NE 2.71Å; E18-R50 IonicContact OE2-NH2 3.86Å; E18-R50 PolarHBondContact OE2-NH2 2.88Å
19R89.3Confident91.5Very high74 Ų7421 Ų2128%0.27911%0.109SC..  trans-106.5137.3-179-65.5-159.6-77.3171.40.9110.7G17 L21 T47 S48 D167 Y170G17-R19 PolarHBondContact O-N 2.64Å; R19-L21 HydrophobicContact CB-CD2 4.45Å; R19-T47 CarbonylContact O-C 3.59Å; R19-T47 WeakPolarHBondContact O-CA 2.74Å; R19-T47 VanDerWaalsContact O-CB 3.32Å; R19-T47 WeakPolarHBondContact O-CB 3.3Å; R19-S48 PolarHBondContact N-OG 2.74Å; R19-S48 PolarHBondContact O-N 3.17Å; R19-D167 IonicContact CZ-OD2 3.18Å; R19-D167 IonicContact NH1-OD2 3.61Å; R19-D167 PolarHBondContact NH1-OD2 3.46Å; R19-D167 IonicContact NH2-OD2 2.7Å; R19-D167 PolarHBondContact NH2-OD2 3.09Å; R19-Y170 VanDerWaalsContact CZ-CE2 3.44Å
20M92.7Very high92.4Very high11 Ų1124 Ų245%0.05412%0.12CC..EExtended strand (participates in β ladder)trans-77.5131.8170.1-172.7-79.9-65.600109.7L14 Y45 Y161 P182 L187L14-M20 HydrophobicContact CD1-CB 4.41Å; M20-Y45 HydrophobicContact CG-CD1 4.11Å; M20-Y161 VanDerWaalsContact CE-O 3.23Å; M20-Y161 WeakPolarHBondContact CE-O 3.19Å; M20-P182 HydrophobicContact CE-CG 4.07Å; M20-L187 HydrophobicContact CB-CD2 4.42Å
21L94.6Very high93.1Very high0 Ų020.6 Ų20.60%010%0.102CC..EExtended strand (participates in β ladder)trans-115.4-41.1-176.2-53.9-178.5000112.5R19 L46 L124 A163 P164 Y170R19-L21 HydrophobicContact CB-CD2 4.45Å; L21-L46 WeakPolarHBondContact CA-O 3.29Å; L21-L46 WeakPolarHBondContact CB-O 3.47Å; L21-L46 PolarHBondContact N-O 3.33Å; L21-L124 HydrophobicContact CD1-CD1 3.7Å; L21-L124 HydrophobicContact CD1-CD2 3.51Å; L21-L124 HydrophobicContact CD1-CG 4.25Å; L21-A163 WeakPolarHBondContact O-CB 3.23Å; L21-P164 HydrophobicContact CD2-CG 3.5Å; L21-Y170 HydrophobicContact CD1-CD1 4Å; L21-Y170 HydrophobicContact CD1-CE1 3.76Å; L21-Y170 HydrophobicContact CD2-CD1 4.12Å; L21-Y170 HydrophobicContact CD2-CD2 3.71Å; L21-Y170 HydrophobicContact CD2-CE1 3.98Å; L21-Y170 HydrophobicContact CD2-CE2 3.44Å; L21-Y170 VanDerWaalsContact CD2-CE2 3.44Å; L21-Y170 HydrophobicContact CD2-CG 4.02Å
22I96.6Very high93.6Very high1 Ų124 Ų241%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-135.3134.5174.9-57.6178.6000108.8Y45 L46 F117 T120 V173 F179I22-Y45 CarbonylContact O-C 3.48Å; I22-Y45 WeakPolarHBondContact O-CA 3.47Å; I22-L46 HydrophobicContact CB-CB 3.88Å; I22-L46 HydrophobicContact CB-CD2 4.42Å; I22-L46 HydrophobicContact CD1-CD2 3.69Å; I22-L46 HydrophobicContact CG1-CB 4.42Å; I22-L46 HydrophobicContact CG1-CD2 4.11Å; I22-L46 PolarHBondContact N-O 2.85Å; I22-L46 VanDerWaalsContact N-O 3.11Å; I22-L46 PolarHBondContact O-N 3.47Å; I22-F117 HydrophobicContact CD1-CD2 4.38Å; I22-F117 HydrophobicContact CG2-CD2 4.3Å; I22-T120 HydrophobicContact CD1-CG2 4.16Å; I22-V173 HydrophobicContact CD1-CG1 4.11Å; I22-V173 HydrophobicContact CG1-CG1 3.92Å; I22-F179 HydrophobicContact CD1-CD2 4.14Å; I22-F179 HydrophobicContact CD1-CE2 3.76Å; I22-F179 HydrophobicContact CD1-CZ 4.08Å; I22-F179 HydrophobicContact CG1-CD2 4.39Å; I22-F179 HydrophobicContact CG1-CE2 4.49Å; I22-F179 HydrophobicContact CG2-CB 4.04Å; I22-F179 HydrophobicContact CG2-CD1 3.41Å; I22-F179 VanDerWaalsContact CG2-CD1 3.41Å; I22-F179 HydrophobicContact CG2-CD2 3.9Å; I22-F179 HydrophobicContact CG2-CE1 3.78Å; I22-F179 HydrophobicContact CG2-CE2 4.21Å; I22-F179 HydrophobicContact CG2-CG 3.51Å; I22-F179 HydrophobicContact CG2-CZ 4.16Å
23Y96.3Very high93.9Very high16 Ų1624.8 Ų24.86%0.06313%0.128CC..EExtended strand (participates in β ladder)trans-113.1129.2164.1169.9-104.6000110.1D25 R43 L44 Y45 F179 T180 V181 P182Y23-D25 HydrophobicContact CE1-CB 4.13Å; Y23-R43 HydrophobicContact CE2-CB 3.92Å; Y23-R43 HydrophobicContact CE2-CG 3.94Å; Y23-R43 WeakPolarHBondContact OH-CD 3.37Å; Y23-L44 WeakPolarHBondContact CA-O 3.27Å; Y23-Y45 AromaticContact CD2-CD1 3.81Å; Y23-Y45 HydrophobicContact CD2-CD1 3.81Å; Y23-Y45 HydrophobicContact CD2-CD2 4.48Å; Y23-Y45 AromaticContact CD2-CE1 3.4Å; Y23-Y45 HydrophobicContact CD2-CE1 3.4Å; Y23-Y45 HydrophobicContact CD2-CE2 4.1Å; Y23-Y45 HydrophobicContact CD2-CG 4.35Å; Y23-Y45 AromaticContact CD2-CZ 3.56Å; Y23-Y45 AromaticContact CE2-CE1 3.83Å; Y23-Y45 HydrophobicContact CE2-CE1 3.83Å; Y23-Y45 HydrophobicContact CE2-CE2 4.03Å; Y23-Y45 AromaticContact CE2-CZ 3.5Å; Y23-Y45 WeakPolarHBondContact CE2-OH 3.43Å; Y23-Y45 HydrophobicContact CG-CE1 4.4Å; Y23-F179 WeakPolarHBondContact O-CA 3.37Å; Y23-T180 WeakPolarHBondContact CB-O 3.35Å; Y23-T180 WeakPolarHBondContact CD1-O 3.23Å; Y23-T180 WeakPolarHBondContact CD1-OG1 3.43Å; Y23-T180 WeakPolarHBondContact CE1-OG1 3.26Å; Y23-T180 PolarHBondContact O-N 2.82Å; Y23-V181 VanDerWaalsContact CD1-C 3.49Å; Y23-P182 HydrophobicContact CD1-CB 4.41Å; Y23-P182 HydrophobicContact CD1-CG 4.12Å; Y23-P182 HydrophobicContact CD2-CB 4.21Å; Y23-P182 HydrophobicContact CD2-CG 3.89Å; Y23-P182 HydrophobicContact CE2-CB 4.3Å; Y23-P182 HydrophobicContact CE2-CG 4.47Å; Y23-P182 HydrophobicContact CG-CB 4.24Å; Y23-P182 HydrophobicContact CG-CG 3.66Å
24Y97.4Very high94Very high0 Ų032.9 Ų32.90%017%0.166CC..EExtended strand (participates in β ladder)trans-130.2116.4177-171.8-82.1000110.3C27 R43 L44 F109 K110 K111 G112 A178 F179Y24-C27 HydrophobicContact CD1-CB 3.8Å; Y24-C27 HydrophobicContact CE1-CB 4.02Å; Y24-R43 CarbonylContact O-C 3.58Å; Y24-R43 WeakPolarHBondContact O-CA 3.48Å; Y24-L44 PolarHBondContact N-O 3.1Å; Y24-L44 PolarHBondContact O-N 3Å; Y24-F109 HydrophobicContact CD1-CD1 4.12Å; Y24-F109 HydrophobicContact CD1-CE1 4.4Å; Y24-F109 AromaticContact CD2-CD1 3.84Å; Y24-F109 HydrophobicContact CD2-CD1 3.84Å; Y24-F109 HydrophobicContact CD2-CE1 4.23Å; Y24-F109 AromaticContact CE1-CD1 3.93Å; Y24-F109 HydrophobicContact CE1-CD1 3.93Å; Y24-F109 HydrophobicContact CE2-CB 4.46Å; Y24-F109 AromaticContact CE2-CD1 3.64Å; Y24-F109 HydrophobicContact CE2-CD1 3.64Å; Y24-F109 HydrophobicContact CE2-CE1 4.46Å; Y24-F109 HydrophobicContact CG-CD1 4.06Å; Y24-F109 HydrophobicContact CG-CE1 4.17Å; Y24-F109 AromaticContact CZ-CD1 3.66Å; Y24-F109 WeakPolarHBondContact OH-CA 3.3Å; Y24-K110 PolarHBondContact OH-N 2.84Å; Y24-K111 WeakPolarHBondContact OH-CA 3.17Å; Y24-K111 WeakPolarHBondContact OH-CB 3.28Å; Y24-K111 PolarHBondContact OH-N 3.32Å; Y24-G112 WeakPolarHBondContact CE2-O 3.38Å; Y24-G112 PolarHBondContact OH-O 3.41Å; Y24-A178 HydrophobicContact CD2-CB 4.08Å; Y24-A178 HydrophobicContact CE2-CB 3.49Å; Y24-A178 VanDerWaalsContact CE2-CB 3.49Å; Y24-F179 AromaticContact CD2-CD1 3.84Å; Y24-F179 HydrophobicContact CD2-CD1 3.84Å; Y24-F179 AromaticContact CD2-CE1 3.89Å; Y24-F179 HydrophobicContact CD2-CE1 3.89Å
25D96.5Very high94Very high40 Ų4039 Ų3921%0.21419%0.193CC..EExtended strand (participates in β ladder)trans-89.4135.8173.8-174.433.8000112Y23 R43 K56 K111Y23-D25 HydrophobicContact CE1-CB 4.13Å; D25-R43 HydrophobicContact CB-CG 4.32Å; D25-R43 WeakPolarHBondContact OD1-CG 3.41Å; D25-K56 WeakPolarHBondContact OD1-CE 3.37Å; D25-K56 IonicContact OD1-NZ 2.74Å; D25-K56 PolarHBondContact OD1-NZ 2.88Å; D25-K56 IonicContact OD2-NZ 2.78Å; D25-K56 PolarHBondContact OD2-NZ 2.69Å; D25-K111 WeakPolarHBondContact O-CE 3.3Å; D25-K111 PolarHBondContact O-NZ 2.83Å
26G96.7Very high94.3Very high12 Ų1239.1 Ų39.112%0.12419%0.193CC..EExtended strand (participates in β ladder)trans83.936.2173.600000114.2M41 G42G26-M41 WeakPolarHBondContact O-CE 3.08Å; G26-G42 CarbonylContact C-O 3.5Å; G26-G42 VanDerWaalsContact CA-O 3.32Å; G26-G42 WeakPolarHBondContact CA-O 3.43Å; G26-G42 PolarHBondContact N-O 2.82Å
27C98.3Very high94.9Very high0 Ų041.2 Ų41.20%021%0.205CC..EExtended strand (participates in β ladder)trans-80.5139.2166.7-173.10000109.8Y24 V29 M41 G42 L44 T108Y24-C27 HydrophobicContact CD1-CB 3.8Å; Y24-C27 HydrophobicContact CE1-CB 4.02Å; C27-V29 HydrophobicContact CB-CG2 4.41Å; C27-M41 VanDerWaalsContact C-CE 3.48Å; C27-M41 WeakPolarHBondContact O-CA 3.12Å; C27-M41 WeakPolarHBondContact O-CE 3.38Å; C27-G42 PolarHBondContact N-O 2.75Å; C27-G42 PolarHBondContact O-N 3.47Å; C27-L44 HydrophobicContact CB-CD1 3.7Å; C27-L44 HydrophobicContact CB-CG 3.75Å; C27-L44 WeakPolarHBondContact SG-CD1 3.42Å; C27-T108 PolarHBondContact SG-O 3.01Å; C27-T108 VanDerWaalsContact SG-O 3.33Å
28H98.4Very high95.6Very high49 Ų4940.6 Ų40.623%0.22719%0.193CC..EExtended strand (participates in β ladder)trans-89.9115.4167.1-177.5-91.8000108.6S39 M41 T108H28-S39 PolarHBondContact CE1-OG 2.78Å; H28-S39 PolarHBondContact NE2-OG 2.93Å; H28-M41 VanDerWaalsContact CA-SD 3.59Å; H28-M41 HydrophobicContact CB-CE 4.29Å; H28-M41 HydrophobicContact CB-SD 3.42Å; H28-M41 WeakPolarHBondContact CB-SD 3.2Å; H28-M41 VanDerWaalsContact CD2-SD 3.59Å; H28-T108 PolarHBondContact N-O 2.98Å; H28-T108 VanDerWaalsContact N-O 3.1Å; H28-T108 PolarHBondContact O-N 3.15Å
29V98.6Very high96Very high0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-109.6124.6-177.7179.40000109.3C27 L31 F38 S39 H40 L44 F53 S106 L107C27-V29 HydrophobicContact CB-CG2 4.41Å; V29-L31 HydrophobicContact CG1-CD1 3.93Å; V29-F38 HydrophobicContact CG1-CE2 4Å; V29-S39 CarbonylContact O-C 3.43Å; V29-S39 WeakPolarHBondContact O-CA 3.1Å; V29-H40 PolarHBondContact N-O 2.97Å; V29-H40 PolarHBondContact O-N 3.24Å; V29-L44 HydrophobicContact CG2-CD2 3.91Å; V29-L44 HydrophobicContact CG2-CG 4.47Å; V29-F53 HydrophobicContact CB-CD2 3.88Å; V29-F53 HydrophobicContact CB-CE2 3.87Å; V29-F53 HydrophobicContact CB-CG 4.36Å; V29-F53 HydrophobicContact CB-CZ 4.42Å; V29-F53 HydrophobicContact CG1-CD2 4.4Å; V29-F53 HydrophobicContact CG1-CG 4.42Å; V29-F53 HydrophobicContact CG2-CD2 3.39Å; V29-F53 HydrophobicContact CG2-CE2 3.66Å; V29-F53 HydrophobicContact CG2-CG 4.14Å; V29-S106 WeakPolarHBondContact CA-O 3.14Å; V29-L107 HydrophobicContact CB-CD2 4.29Å; V29-L107 HydrophobicContact CG1-CD2 3.85Å; V29-L107 HydrophobicContact CG2-CD2 3.75Å
30E98.5Very high96.4Very high75 Ų7541.1 Ų41.135%0.3521%0.205SC..EExtended strand (participates in β ladder)trans-119.7134.9173.3-177.1173.3166.500109.9F38 F105 S106E30-F38 CarbonylContact C-O 3.59Å; E30-F38 WeakPolarHBondContact CA-O 3.42Å; E30-F105 CarbonylContact O-C 3.57Å; E30-F105 VanDerWaalsContact O-CA 3.27Å; E30-F105 WeakPolarHBondContact O-CA 3.03Å; E30-S106 PolarHBondContact N-O 3.5Å; E30-S106 PolarHBondContact O-N 3.12Å
31L98.2Very high96.6Very high0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-118.4130.7166.7-96.570.4000108.7V29 L36 K37 F38 F65 I91 A103 K104 F105V29-L31 HydrophobicContact CG1-CD1 3.93Å; L31-L36 HydrophobicContact CD2-CD2 3.57Å; L31-L36 HydrophobicContact CD2-CG 4.15Å; L31-K37 CarbonylContact O-C 3.55Å; L31-K37 VanDerWaalsContact O-CA 3.23Å; L31-K37 WeakPolarHBondContact O-CA 3.15Å; L31-K37 WeakPolarHBondContact O-CG 3.38Å; L31-F38 HydrophobicContact CB-CD1 4.06Å; L31-F38 HydrophobicContact CB-CE1 3.9Å; L31-F38 HydrophobicContact CB-CE2 4.43Å; L31-F38 HydrophobicContact CB-CG 4.41Å; L31-F38 HydrophobicContact CB-CZ 4.09Å; L31-F38 HydrophobicContact CD1-CE1 4.17Å; L31-F38 HydrophobicContact CD1-CE2 4Å; L31-F38 HydrophobicContact CD1-CZ 3.59Å; L31-F38 HydrophobicContact CD2-CD1 4.39Å; L31-F38 HydrophobicContact CD2-CE1 3.53Å; L31-F38 HydrophobicContact CD2-CZ 3.78Å; L31-F38 HydrophobicContact CG-CE1 4.06Å; L31-F38 HydrophobicContact CG-CZ 4Å; L31-F38 PolarHBondContact N-O 3.28Å; L31-F38 PolarHBondContact O-N 3.24Å; L31-F65 HydrophobicContact CD1-CD1 4.22Å; L31-F65 HydrophobicContact CD1-CE1 4.14Å; L31-F65 HydrophobicContact CD2-CD1 3.81Å; L31-F65 HydrophobicContact CD2-CD2 4.32Å; L31-F65 HydrophobicContact CD2-CE1 3.23Å; L31-F65 HydrophobicContact CD2-CE2 3.85Å; L31-F65 HydrophobicContact CD2-CG 4.32Å; L31-F65 HydrophobicContact CD2-CZ 3.28Å; L31-F65 HydrophobicContact CG-CE1 4.26Å; L31-I91 HydrophobicContact CD2-CG2 4.46Å; L31-A103 HydrophobicContact CB-CB 4.49Å; L31-A103 HydrophobicContact CD2-CB 4.35Å; L31-A103 HydrophobicContact CG-CB 4.35Å; L31-K104 CarbonylContact C-O 3.56Å; L31-K104 WeakPolarHBondContact CA-O 3.42Å; L31-F105 HydrophobicContact CD1-CB 3.89Å; L31-F105 HydrophobicContact CG-CB 4.33Å
32D98.2Very high96.7Very high70 Ų7043.8 Ų43.837%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-129.999.5176.8-170.132.3000110K37 A103 K104D32-K37 WeakPolarHBondContact OD1-CD 3.38Å; D32-K37 VanDerWaalsContact OD1-CE 3.3Å; D32-K37 WeakPolarHBondContact OD1-CE 3.45Å; D32-K37 IonicContact OD1-NZ 2.72Å; D32-K37 PolarHBondContact OD1-NZ 2.85Å; D32-K37 IonicContact OD2-NZ 3.97Å; D32-A103 WeakPolarHBondContact O-CA 3.37Å; D32-K104 PolarHBondContact N-O 2.78Å; D32-K104 PolarHBondContact O-N 3.26Å
33G97.3Very high96.8Very high17 Ų1744.4 Ų44.418%0.17522%0.22CC..EExtended strand (participates in β ladder)trans-143.3165.2176.600000111.2F35 L36G33-F35 VanDerWaalsContact C-N 3.32Å; G33-F35 PolarHBondContact O-N 3.42Å; G33-L36 WeakPolarHBondContact CA-O 3.47Å; G33-L36 PolarHBondContact N-O 3.31Å
34Q94.6Very high96.8Very high171 Ų17143.6 Ų43.680%0.79922%0.217SC*.SBendtrans-60.7-40.2-176.6-177.5179.18.900112.8
35F91.1Very high96.8Very high133 Ų13343.6 Ų43.658%0.58322%0.217SC*.SBendtrans-107-9.2-176-58.2-76000113.5G33G33-F35 VanDerWaalsContact C-N 3.32Å; G33-F35 PolarHBondContact O-N 3.42Å
36L92.9Very high96.9Very high14 Ų1441.7 Ų41.77%0.07321%0.207CC..  trans-143.2115.3-179.7-178.963.3000109.7M1 L31 G33 F38 F65 W99M1-L36 HydrophobicContact CE-CD1 4.19Å; M1-L36 HydrophobicContact SD-CD1 3.84Å; L31-L36 HydrophobicContact CD2-CD2 3.57Å; L31-L36 HydrophobicContact CD2-CG 4.15Å; G33-L36 WeakPolarHBondContact CA-O 3.47Å; G33-L36 PolarHBondContact N-O 3.31Å; L36-F38 HydrophobicContact CD1-CD1 3.97Å; L36-F38 HydrophobicContact CD1-CE1 4.25Å; L36-F38 HydrophobicContact CD2-CE1 4.29Å; L36-F38 HydrophobicContact CG-CD1 4.26Å; L36-F38 HydrophobicContact CG-CE1 4.33Å; L36-F65 HydrophobicContact CD2-CD2 4.19Å; L36-F65 HydrophobicContact CD2-CE2 3.41Å; L36-F65 VanDerWaalsContact CD2-CE2 3.41Å; L36-F65 HydrophobicContact CD2-CZ 3.87Å; L36-W99 HydrophobicContact CB-CB 4.4Å; L36-W99 HydrophobicContact CB-CD2 4.1Å; L36-W99 HydrophobicContact CB-CE3 3.53Å; L36-W99 HydrophobicContact CB-CG 4.5Å; L36-W99 HydrophobicContact CB-CZ3 4.11Å; L36-W99 HydrophobicContact CD2-CB 4.2Å; L36-W99 HydrophobicContact CD2-CD2 3.41Å; L36-W99 VanDerWaalsContact CD2-CD2 3.41Å; L36-W99 HydrophobicContact CD2-CE3 3.62Å; L36-W99 HydrophobicContact CD2-CG 3.69Å; L36-W99 HydrophobicContact CD2-CH2 4.47Å; L36-W99 HydrophobicContact CD2-CZ2 4.32Å; L36-W99 HydrophobicContact CD2-CZ3 4.16Å; L36-W99 HydrophobicContact CG-CD2 4.38Å; L36-W99 HydrophobicContact CG-CE3 4.22Å
37K95.8Very high96.9Very high142 Ų14241.1 Ų41.162%0.61720%0.201SC*.EExtended strand (participates in β ladder)trans-138.7124.5176-174.8169.1-172.8140.10110.5L31 D32L31-K37 CarbonylContact O-C 3.55Å; L31-K37 VanDerWaalsContact O-CA 3.23Å; L31-K37 WeakPolarHBondContact O-CA 3.15Å; L31-K37 WeakPolarHBondContact O-CG 3.38Å; D32-K37 WeakPolarHBondContact OD1-CD 3.38Å; D32-K37 VanDerWaalsContact OD1-CE 3.3Å; D32-K37 WeakPolarHBondContact OD1-CE 3.45Å; D32-K37 IonicContact OD1-NZ 2.72Å; D32-K37 PolarHBondContact OD1-NZ 2.85Å; D32-K37 IonicContact OD2-NZ 3.97Å
38F96.5Very high96.7Very high16 Ų1641.1 Ų41.17%0.0720%0.201CC..EExtended strand (participates in β ladder)trans-155.7160.2172.766.5-104.1000111.5V29 E30 L31 L36 H40 F53 V62 F65V29-F38 HydrophobicContact CG1-CE2 4Å; E30-F38 CarbonylContact C-O 3.59Å; E30-F38 WeakPolarHBondContact CA-O 3.42Å; L31-F38 HydrophobicContact CB-CD1 4.06Å; L31-F38 HydrophobicContact CB-CE1 3.9Å; L31-F38 HydrophobicContact CB-CE2 4.43Å; L31-F38 HydrophobicContact CB-CG 4.41Å; L31-F38 HydrophobicContact CB-CZ 4.09Å; L31-F38 HydrophobicContact CD1-CE1 4.17Å; L31-F38 HydrophobicContact CD1-CE2 4Å; L31-F38 HydrophobicContact CD1-CZ 3.59Å; L31-F38 HydrophobicContact CD2-CD1 4.39Å; L31-F38 HydrophobicContact CD2-CE1 3.53Å; L31-F38 HydrophobicContact CD2-CZ 3.78Å; L31-F38 HydrophobicContact CG-CE1 4.06Å; L31-F38 HydrophobicContact CG-CZ 4Å; L31-F38 PolarHBondContact N-O 3.28Å; L31-F38 PolarHBondContact O-N 3.24Å; L36-F38 HydrophobicContact CD1-CD1 3.97Å; L36-F38 HydrophobicContact CD1-CE1 4.25Å; L36-F38 HydrophobicContact CD2-CE1 4.29Å; L36-F38 HydrophobicContact CG-CD1 4.26Å; L36-F38 HydrophobicContact CG-CE1 4.33Å; F38-H40 AromaticContact CD2-CD2 3.81Å; F38-F53 HydrophobicContact CE2-CD1 4.39Å; F38-F53 HydrophobicContact CE2-CE1 4.3Å; F38-V62 HydrophobicContact CB-CG2 4.05Å; F38-V62 HydrophobicContact CD1-CG1 4.24Å; F38-V62 HydrophobicContact CD1-CG2 4Å; F38-V62 HydrophobicContact CD2-CG1 4.49Å; F38-V62 HydrophobicContact CE1-CG1 4.07Å; F38-V62 HydrophobicContact CE2-CG1 4.36Å; F38-V62 HydrophobicContact CG-CG1 4.44Å; F38-V62 HydrophobicContact CG-CG2 4.02Å; F38-V62 HydrophobicContact CZ-CG1 4.13Å; F38-F65 HydrophobicContact CE1-CB 4.38Å; F38-F65 HydrophobicContact CE1-CD2 4.13Å; F38-F65 HydrophobicContact CE1-CG 4.12Å; F38-F65 HydrophobicContact CZ-CB 3.88Å; F38-F65 HydrophobicContact CZ-CD1 4.16Å; F38-F65 HydrophobicContact CZ-CD2 4.35Å; F38-F65 AromaticContact CZ-CG 3.88Å; F38-F65 HydrophobicContact CZ-CG 3.88Å
39S97.6Very high96.5Very high54 Ų5439 Ų3938%0.37819%0.191SC..EExtended strand (participates in β ladder)trans-146.2110178.1-171.90000109.9H28 V29H28-S39 PolarHBondContact CE1-OG 2.78Å; H28-S39 PolarHBondContact NE2-OG 2.93Å; V29-S39 CarbonylContact O-C 3.43Å; V29-S39 WeakPolarHBondContact O-CA 3.1Å
40H97.8Very high96.4Very high42 Ų4239.2 Ų39.219%0.19419%0.192CC..EExtended strand (participates in β ladder)trans-144.1151.5-169.1-67-39.5000113.2V29 F38 F53 N55 S60V29-H40 PolarHBondContact N-O 2.97Å; V29-H40 PolarHBondContact O-N 3.24Å; F38-H40 AromaticContact CD2-CD2 3.81Å; H40-F53 HydrophobicContact CB-CE1 4.2Å; H40-F53 HydrophobicContact CB-CZ 3.69Å; H40-N55 PolarHBondContact CD2-ND2 2.94Å; H40-N55 VanDerWaalsContact CD2-ND2 3.28Å; H40-S60 PolarHBondContact CD2-OG 3.05Å; H40-S60 VanDerWaalsContact CE1-CB 3.41Å; H40-S60 WeakPolarHBondContact CE1-CB 3.25Å; H40-S60 PolarHBondContact CE1-OG 3.24Å; H40-S60 WeakPolarHBondContact NE2-CB 3.3Å; H40-S60 PolarHBondContact NE2-OG 2.88Å
41M97.4Very high96.4Very high68 Ų6835.6 Ų35.634%0.33518%0.175SC..EExtended strand (participates in β ladder)trans-88.1135.7168.2-69.3-60.3-44.800110.2G26 C27 H28 N55 K56G26-M41 WeakPolarHBondContact O-CE 3.08Å; C27-M41 VanDerWaalsContact C-CE 3.48Å; C27-M41 WeakPolarHBondContact O-CA 3.12Å; C27-M41 WeakPolarHBondContact O-CE 3.38Å; H28-M41 VanDerWaalsContact CA-SD 3.59Å; H28-M41 HydrophobicContact CB-CE 4.29Å; H28-M41 HydrophobicContact CB-SD 3.42Å; H28-M41 WeakPolarHBondContact CB-SD 3.2Å; H28-M41 VanDerWaalsContact CD2-SD 3.59Å; M41-N55 PolarHBondContact O-OD1 2.95Å; M41-K56 PolarHBondContact O-N 3.24Å
42G96.6Very high96.4Very high0 Ų035.6 Ų35.60%018%0.175CC..EExtended strand (participates in β ladder)trans-166.8-161.1178.700000114.3G26 C27 F53 I54G26-G42 CarbonylContact C-O 3.5Å; G26-G42 VanDerWaalsContact CA-O 3.32Å; G26-G42 WeakPolarHBondContact CA-O 3.43Å; G26-G42 PolarHBondContact N-O 2.82Å; C27-G42 PolarHBondContact N-O 2.75Å; C27-G42 PolarHBondContact O-N 3.47Å; G42-F53 VanDerWaalsContact CA-CE2 3.43Å; G42-I54 CarbonylContact C-O 3.54Å; G42-I54 VanDerWaalsContact CA-O 3.3Å; G42-I54 WeakPolarHBondContact CA-O 3.42Å
43R97.2Very high96.4Very high13 Ų1332.3 Ų32.35%0.04916%0.158CC..EExtended strand (participates in β ladder)trans-106.6139179-68.5158.9-75.1-174.6-3.2108.9N10 Y23 Y24 D25 Y45 F53 I54 N55N10-R43 PolarHBondContact O-NH1 2.83Å; N10-R43 PolarHBondContact OD1-NH2 3.44Å; Y23-R43 HydrophobicContact CE2-CB 3.92Å; Y23-R43 HydrophobicContact CE2-CG 3.94Å; Y23-R43 WeakPolarHBondContact OH-CD 3.37Å; Y24-R43 CarbonylContact O-C 3.58Å; Y24-R43 WeakPolarHBondContact O-CA 3.48Å; D25-R43 HydrophobicContact CB-CG 4.32Å; D25-R43 WeakPolarHBondContact OD1-CG 3.41Å; R43-Y45 HydrophobicContact CB-CE2 3.95Å; R43-F53 CarbonylContact O-C 3.58Å; R43-F53 WeakPolarHBondContact O-CA 3.41Å; R43-I54 HydrophobicContact CB-CB 4.47Å; R43-I54 PolarHBondContact N-O 2.78Å; R43-I54 PolarHBondContact O-N 2.95Å; R43-N55 PolarHBondContact NH2-O 3.45Å
44L98.3Very high96.3Very high0 Ų031.5 Ų31.50%015%0.149CC..EExtended strand (participates in β ladder)trans-106.8138169.7-68.4-178.6000110.2Y23 Y24 C27 V29 V51 I52 F53 L107 F109 F117Y23-L44 WeakPolarHBondContact CA-O 3.27Å; Y24-L44 PolarHBondContact N-O 3.1Å; Y24-L44 PolarHBondContact O-N 3Å; C27-L44 HydrophobicContact CB-CD1 3.7Å; C27-L44 HydrophobicContact CB-CG 3.75Å; C27-L44 WeakPolarHBondContact SG-CD1 3.42Å; V29-L44 HydrophobicContact CG2-CD2 3.91Å; V29-L44 HydrophobicContact CG2-CG 4.47Å; L44-V51 HydrophobicContact CD2-CG1 3.89Å; L44-I52 CarbonylContact C-O 3.56Å; L44-I52 WeakPolarHBondContact CA-O 3.37Å; L44-F53 HydrophobicContact CD2-CB 4.02Å; L44-F53 HydrophobicContact CD2-CD2 4.2Å; L44-L107 HydrophobicContact CD1-CB 4.26Å; L44-L107 HydrophobicContact CD1-CD1 4.02Å; L44-L107 HydrophobicContact CD1-CD2 4.27Å; L44-L107 HydrophobicContact CD1-CG 4.41Å; L44-L107 HydrophobicContact CD2-CD2 4.38Å; L44-F109 HydrophobicContact CD1-CE1 4.09Å; L44-F109 HydrophobicContact CD1-CZ 3.9Å; L44-F117 HydrophobicContact CB-CE2 4.43Å; L44-F117 HydrophobicContact CD1-CE2 4.25Å; L44-F117 HydrophobicContact CD1-CZ 4.06Å
45Y97.2Very high96.3Very high0 Ų023.6 Ų23.60%011%0.113CC..EExtended strand (participates in β ladder)trans-118.5114.4166.9-59.9-101.4000106.9V12 M20 I22 Y23 R43 V51 I52 I54 P182V12-Y45 HydrophobicContact CB-CD1 4.27Å; V12-Y45 HydrophobicContact CB-CD2 4.05Å; V12-Y45 HydrophobicContact CB-CE1 4.12Å; V12-Y45 HydrophobicContact CB-CE2 3.93Å; V12-Y45 HydrophobicContact CB-CG 4.22Å; V12-Y45 HydrophobicContact CG1-CD1 3.64Å; V12-Y45 HydrophobicContact CG1-CD2 4.31Å; V12-Y45 HydrophobicContact CG1-CE1 3.47Å; V12-Y45 VanDerWaalsContact CG1-CE1 3.47Å; V12-Y45 HydrophobicContact CG1-CE2 4.21Å; V12-Y45 HydrophobicContact CG1-CG 4.05Å; V12-Y45 HydrophobicContact CG2-CD2 4.15Å; V12-Y45 HydrophobicContact CG2-CG 4.21Å; M20-Y45 HydrophobicContact CG-CD1 4.11Å; I22-Y45 CarbonylContact O-C 3.48Å; I22-Y45 WeakPolarHBondContact O-CA 3.47Å; Y23-Y45 AromaticContact CD2-CD1 3.81Å; Y23-Y45 HydrophobicContact CD2-CD1 3.81Å; Y23-Y45 HydrophobicContact CD2-CD2 4.48Å; Y23-Y45 AromaticContact CD2-CE1 3.4Å; Y23-Y45 HydrophobicContact CD2-CE1 3.4Å; Y23-Y45 HydrophobicContact CD2-CE2 4.1Å; Y23-Y45 HydrophobicContact CD2-CG 4.35Å; Y23-Y45 AromaticContact CD2-CZ 3.56Å; Y23-Y45 AromaticContact CE2-CE1 3.83Å; Y23-Y45 HydrophobicContact CE2-CE1 3.83Å; Y23-Y45 HydrophobicContact CE2-CE2 4.03Å; Y23-Y45 AromaticContact CE2-CZ 3.5Å; Y23-Y45 WeakPolarHBondContact CE2-OH 3.43Å; Y23-Y45 HydrophobicContact CG-CE1 4.4Å; R43-Y45 HydrophobicContact CB-CE2 3.95Å; Y45-V51 WeakPolarHBondContact O-CA 3.5Å; Y45-I52 PolarHBondContact N-O 2.98Å; Y45-I52 PolarHBondContact O-N 3.35Å; Y45-I54 HydrophobicContact CD2-CG1 3.94Å; Y45-I54 HydrophobicContact CE2-CB 4.27Å; Y45-I54 HydrophobicContact CE2-CG1 3.57Å; Y45-P182 HydrophobicContact CE1-CB 4.18Å; Y45-P182 HydrophobicContact CE1-CG 3.91Å
46L98Very high96.4Very high0 Ų022.4 Ų22.40%011%0.107CC..EExtended strand (participates in β ladder)trans-88.3118.1166-174.662.7000107.2L21 I22 V51 F69 F117 T120 L121 L124L21-L46 WeakPolarHBondContact CA-O 3.29Å; L21-L46 WeakPolarHBondContact CB-O 3.47Å; L21-L46 PolarHBondContact N-O 3.33Å; I22-L46 HydrophobicContact CB-CB 3.88Å; I22-L46 HydrophobicContact CB-CD2 4.42Å; I22-L46 HydrophobicContact CD1-CD2 3.69Å; I22-L46 HydrophobicContact CG1-CB 4.42Å; I22-L46 HydrophobicContact CG1-CD2 4.11Å; I22-L46 PolarHBondContact N-O 2.85Å; I22-L46 VanDerWaalsContact N-O 3.11Å; I22-L46 PolarHBondContact O-N 3.47Å; L46-V51 HydrophobicContact CD1-CG2 3.68Å; L46-F69 HydrophobicContact CD1-CE1 3.57Å; L46-F69 HydrophobicContact CD1-CZ 3.6Å; L46-F117 HydrophobicContact CB-CE2 3.84Å; L46-F117 HydrophobicContact CB-CZ 4.25Å; L46-F117 HydrophobicContact CD1-CZ 4.28Å; L46-F117 HydrophobicContact CD2-CD2 4.45Å; L46-F117 HydrophobicContact CD2-CE2 4.31Å; L46-F117 HydrophobicContact CG-CE2 4.5Å; L46-T120 HydrophobicContact CD2-CG2 3.63Å; L46-L121 HydrophobicContact CD1-CB 4.47Å; L46-L121 HydrophobicContact CD1-CD1 3.9Å; L46-L124 HydrophobicContact CD1-CD1 3.87Å; L46-L124 HydrophobicContact CD2-CD1 3.66Å; L46-L124 HydrophobicContact CG-CD1 3.67Å
47T95.5Very high96.3Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-106.6-178.8-179.778.70000110.5L14 E18 R19 H49 R50 I52 F69L14-T47 HydrophobicContact CD2-CG2 3.82Å; E18-T47 HydrophobicContact CG-CG2 4.21Å; E18-T47 VanDerWaalsContact OE1-CB 3.29Å; E18-T47 WeakPolarHBondContact OE1-CB 3.27Å; E18-T47 WeakPolarHBondContact OE1-CG2 3.34Å; E18-T47 PolarHBondContact OE1-OG1 2.9Å; R19-T47 CarbonylContact O-C 3.59Å; R19-T47 WeakPolarHBondContact O-CA 2.74Å; R19-T47 VanDerWaalsContact O-CB 3.32Å; R19-T47 WeakPolarHBondContact O-CB 3.3Å; T47-H49 PolarHBondContact O-N 2.82Å; T47-H49 PolarHBondContact OG1-N 2.8Å; T47-R50 PolarHBondContact N-O 3.06Å; T47-R50 PolarHBondContact OG1-N 2.92Å; T47-R50 PolarHBondContact OG1-O 2.91Å; T47-R50 VanDerWaalsContact OG1-O 3.11Å; T47-I52 HydrophobicContact CG2-CD1 3.86Å; T47-I52 HydrophobicContact CG2-CG1 4.41Å; T47-F69 WeakPolarHBondContact O-CE2 3.26Å; T47-F69 WeakPolarHBondContact O-CZ 3.36Å
48S94.5Very high95.4Very high0 Ų024.3 Ų24.30%013%0.127CC..SBendtrans-66-11.7170.454.10000113.9R19 F69 Y170 G198 A199R19-S48 PolarHBondContact N-OG 2.74Å; R19-S48 PolarHBondContact O-N 3.17Å; S48-F69 WeakPolarHBondContact O-CE2 3.44Å; S48-Y170 WeakPolarHBondContact CB-OH 3.32Å; S48-G198 CarbonylContact O-C 3.59Å; S48-G198 VanDerWaalsContact O-CA 3.29Å; S48-G198 WeakPolarHBondContact O-CA 3.1Å; S48-A199 PolarHBondContact O-N 2.93Å
49H94.7Very high94.5Very high4 Ų428.3 Ų28.32%0.01916%0.157CC..SBendtrans-128.5-25.3-174.1-58.866.6000115.4T47 F69 Y196 G198T47-H49 PolarHBondContact O-N 2.82Å; T47-H49 PolarHBondContact OG1-N 2.8Å; H49-F69 VanDerWaalsContact O-CD2 3.25Å; H49-F69 WeakPolarHBondContact O-CD2 3.39Å; H49-F69 WeakPolarHBondContact O-CG 2.91Å; H49-F69 PolarHBondContact O-N 3.09Å; H49-F69 VanDerWaalsContact O-N 3.12Å; H49-Y196 HydrophobicContact CB-CD2 3.96Å; H49-Y196 HydrophobicContact CB-CE2 3.53Å; H49-Y196 PolarHBondContact CD2-O 3.21Å; H49-G198 WeakPolarHBondContact CD2-CA 3.47Å; H49-G198 PolarHBondContact CD2-N 2.88Å; H49-G198 WeakPolarHBondContact NE2-CA 3.26Å; H49-G198 PolarHBondContact NE2-N 3.29Å
50R97.2Very high93.6Very high4 Ų427.5 Ų27.52%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-156164.5-172.152170.3163.4-169.511.6112.9S4 E18 T47 I52 M67 F69 Y196S4-R50 PolarHBondContact OG-NH1 3.19Å; E18-R50 WeakPolarHBondContact OE1-CG 3.36Å; E18-R50 IonicContact OE1-CZ 3.88Å; E18-R50 IonicContact OE1-NE 3.84Å; E18-R50 PolarHBondContact OE1-NE 3.03Å; E18-R50 IonicContact OE1-NH2 2.93Å; E18-R50 IonicContact OE2-CZ 2.74Å; E18-R50 IonicContact OE2-NE 3.28Å; E18-R50 PolarHBondContact OE2-NE 2.71Å; E18-R50 IonicContact OE2-NH2 3.86Å; E18-R50 PolarHBondContact OE2-NH2 2.88Å; T47-R50 PolarHBondContact N-O 3.06Å; T47-R50 PolarHBondContact OG1-N 2.92Å; T47-R50 PolarHBondContact OG1-O 2.91Å; T47-R50 VanDerWaalsContact OG1-O 3.11Å; R50-I52 HydrophobicContact CG-CD1 4.24Å; R50-I52 HydrophobicContact CG-CG1 3.86Å; R50-M67 VanDerWaalsContact CA-O 3.28Å; R50-M67 WeakPolarHBondContact CA-O 3.48Å; R50-M67 WeakPolarHBondContact CB-O 3.41Å; R50-F69 VanDerWaalsContact CA-CE1 3.49Å; R50-F69 VanDerWaalsContact N-CZ 3.34Å; R50-Y196 WeakPolarHBondContact CD-OH 3.01Å; R50-Y196 PolarHBondContact NE-OH 3.1Å; R50-Y196 PolarHBondContact NH1-OH 2.87Å
51V98.7Very high93.1Very high0 Ų027.9 Ų27.90%017%0.167CC..EExtended strand (participates in β ladder)trans-91.2130.1158.6-179.40000108.4L44 Y45 L46 M67 F69 M72 L107 F117 L121L44-V51 HydrophobicContact CD2-CG1 3.89Å; Y45-V51 WeakPolarHBondContact O-CA 3.5Å; L46-V51 HydrophobicContact CD1-CG2 3.68Å; V51-M67 HydrophobicContact CB-CB 4.36Å; V51-M67 HydrophobicContact CB-CE 3.89Å; V51-M67 HydrophobicContact CG1-CE 3.62Å; V51-M67 PolarHBondContact N-O 2.72Å; V51-M67 PolarHBondContact O-N 3.17Å; V51-F69 HydrophobicContact CG2-CE1 4.08Å; V51-M72 HydrophobicContact CB-CE 3.95Å; V51-M72 HydrophobicContact CG2-CE 3.7Å; V51-L107 HydrophobicContact CG1-CD1 4.38Å; V51-F117 HydrophobicContact CG1-CZ 4.1Å; V51-F117 HydrophobicContact CG2-CE1 4.32Å; V51-F117 HydrophobicContact CG2-CZ 3.98Å; V51-L121 HydrophobicContact CG2-CD1 3.74Å; V51-L121 HydrophobicContact CG2-CD2 4.23Å
52I97.7Very high92.8Very high0 Ų025.1 Ų25.10%015%0.154CC..EExtended strand (participates in β ladder)trans-115.9126.1173.5-51.9166.7000108.9V12 L14 L44 Y45 T47 R50 I54 F65V12-I52 HydrophobicContact CG2-CB 4.25Å; V12-I52 HydrophobicContact CG2-CD1 3.59Å; V12-I52 HydrophobicContact CG2-CG2 3.89Å; L14-I52 HydrophobicContact CD2-CD1 3.64Å; L44-I52 CarbonylContact C-O 3.56Å; L44-I52 WeakPolarHBondContact CA-O 3.37Å; Y45-I52 PolarHBondContact N-O 2.98Å; Y45-I52 PolarHBondContact O-N 3.35Å; T47-I52 HydrophobicContact CG2-CD1 3.86Å; T47-I52 HydrophobicContact CG2-CG1 4.41Å; R50-I52 HydrophobicContact CG-CD1 4.24Å; R50-I52 HydrophobicContact CG-CG1 3.86Å; I52-I54 HydrophobicContact CG2-CD1 3.85Å; I52-I54 HydrophobicContact CG2-CG1 4.42Å; I52-F65 CarbonylContact C-O 3.53Å; I52-F65 WeakPolarHBondContact CA-O 3.43Å
53F97.5Very high92.6Very high0 Ų027.4 Ų27.40%017%0.166CC..EExtended strand (participates in β ladder)trans-96.6129.2168.3170.6-108.3000109.9V29 F38 H40 G42 R43 L44 N55 V62 S64 F65V29-F53 HydrophobicContact CB-CD2 3.88Å; V29-F53 HydrophobicContact CB-CE2 3.87Å; V29-F53 HydrophobicContact CB-CG 4.36Å; V29-F53 HydrophobicContact CB-CZ 4.42Å; V29-F53 HydrophobicContact CG1-CD2 4.4Å; V29-F53 HydrophobicContact CG1-CG 4.42Å; V29-F53 HydrophobicContact CG2-CD2 3.39Å; V29-F53 HydrophobicContact CG2-CE2 3.66Å; V29-F53 HydrophobicContact CG2-CG 4.14Å; F38-F53 HydrophobicContact CE2-CD1 4.39Å; F38-F53 HydrophobicContact CE2-CE1 4.3Å; H40-F53 HydrophobicContact CB-CE1 4.2Å; H40-F53 HydrophobicContact CB-CZ 3.69Å; G42-F53 VanDerWaalsContact CA-CE2 3.43Å; R43-F53 CarbonylContact O-C 3.58Å; R43-F53 WeakPolarHBondContact O-CA 3.41Å; L44-F53 HydrophobicContact CD2-CB 4.02Å; L44-F53 HydrophobicContact CD2-CD2 4.2Å; F53-N55 HydrophobicContact CE1-CB 3.75Å; F53-N55 HydrophobicContact CZ-CB 3.93Å; F53-V62 HydrophobicContact CE1-CG1 4.43Å; F53-S64 CarbonylContact O-C 3.55Å; F53-S64 WeakPolarHBondContact O-CA 3.19Å; F53-S64 WeakPolarHBondContact O-CB 3.29Å; F53-F65 HydrophobicContact CB-CB 4.27Å; F53-F65 HydrophobicContact CD1-CB 4.24Å; F53-F65 PolarHBondContact N-O 3.5Å; F53-F65 PolarHBondContact O-N 3.27Å
54I95.4Very high92.4Very high0 Ų026.8 Ų26.80%016%0.163CC..EExtended strand (participates in β ladder)trans-115.5119.5168.3-51.9-62.1000108.2S4 H5 G9 V12 G42 R43 Y45 I52S4-I54 VanDerWaalsContact O-CD1 3.3Å; S4-I54 WeakPolarHBondContact O-CD1 3.2Å; H5-I54 HydrophobicContact CB-CD1 4.03Å; G9-I54 WeakPolarHBondContact O-CG2 3.35Å; V12-I54 HydrophobicContact CB-CD1 4.26Å; V12-I54 HydrophobicContact CB-CG1 4.22Å; V12-I54 HydrophobicContact CG2-CD1 4.23Å; V12-I54 HydrophobicContact CG2-CG1 4.47Å; G42-I54 CarbonylContact C-O 3.54Å; G42-I54 VanDerWaalsContact CA-O 3.3Å; G42-I54 WeakPolarHBondContact CA-O 3.42Å; R43-I54 HydrophobicContact CB-CB 4.47Å; R43-I54 PolarHBondContact N-O 2.78Å; R43-I54 PolarHBondContact O-N 2.95Å; Y45-I54 HydrophobicContact CD2-CG1 3.94Å; Y45-I54 HydrophobicContact CE2-CB 4.27Å; Y45-I54 HydrophobicContact CE2-CG1 3.57Å; I52-I54 HydrophobicContact CG2-CD1 3.85Å; I52-I54 HydrophobicContact CG2-CG1 4.42Å
55N95.3Very high92.3Very high6 Ų626.8 Ų26.83%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-69.4144.5-178.1-162.3-21.5000110.9H40 M41 R43 F53 K57 S60 V62 L63H40-N55 PolarHBondContact CD2-ND2 2.94Å; H40-N55 VanDerWaalsContact CD2-ND2 3.28Å; M41-N55 PolarHBondContact O-OD1 2.95Å; R43-N55 PolarHBondContact NH2-O 3.45Å; F53-N55 HydrophobicContact CE1-CB 3.75Å; F53-N55 HydrophobicContact CZ-CB 3.93Å; N55-K57 PolarHBondContact ND2-O 3.21Å; N55-K57 PolarHBondContact OD1-N 3.2Å; N55-S60 PolarHBondContact ND2-OG 2.88Å; N55-V62 WeakPolarHBondContact CB-O 3.13Å; N55-V62 PolarHBondContact ND2-O 2.85Å; N55-L63 PolarHBondContact N-O 2.82Å
56K93Very high92.2Very high108 Ų10827 Ų2747%0.4717%0.165SC..SBendtrans-78.4-25.2169.1-81.5-179179.8-165.90112.5D25 M41D25-K56 WeakPolarHBondContact OD1-CE 3.37Å; D25-K56 IonicContact OD1-NZ 2.74Å; D25-K56 PolarHBondContact OD1-NZ 2.88Å; D25-K56 IonicContact OD2-NZ 2.78Å; D25-K56 PolarHBondContact OD2-NZ 2.69Å; M41-K56 PolarHBondContact O-N 3.24Å
57K89.9Confident92.2Very high130 Ų13027 Ų2757%0.56517%0.165SC*.  trans-106.796-178.6-172.3176.8-179.2-179.90110.5N55 S59 S60N55-K57 PolarHBondContact ND2-O 3.21Å; N55-K57 PolarHBondContact OD1-N 3.2Å; K57-S59 WeakPolarHBondContact CE-OG 3.2Å; K57-S59 PolarHBondContact O-N 3.28Å; K57-S59 VanDerWaalsContact O-N 3.17Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-S60 PolarHBondContact O-OG 3.1Å
58A76.5Confident92.3Very high65 Ų6527.1 Ų27.154%0.53717%0.165SC..G310 helixtrans-60.2-26.5-179.800000113.7S60 L63A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 3.11Å; A58-L63 HydrophobicContact CB-CD2 3.84Å; A58-L63 WeakPolarHBondContact O-CD2 3.46Å
59S78.4Confident92.4Very high101 Ų10127.3 Ų27.371%0.70617%0.167SC*.G310 helixtrans-78.83.1-177.757.30000115.4K57 G61K57-S59 WeakPolarHBondContact CE-OG 3.2Å; K57-S59 PolarHBondContact O-N 3.28Å; K57-S59 VanDerWaalsContact O-N 3.17Å; S59-G61 VanDerWaalsContact C-N 3.34Å
60S79.6Confident92.5Very high36 Ų3627.9 Ų27.925%0.25217%0.17SC..G310 helixtrans-86.50.4-177.582.80000114.9H40 N55 K57 A58 V62H40-S60 PolarHBondContact CD2-OG 3.05Å; H40-S60 VanDerWaalsContact CE1-CB 3.41Å; H40-S60 WeakPolarHBondContact CE1-CB 3.25Å; H40-S60 PolarHBondContact CE1-OG 3.24Å; H40-S60 WeakPolarHBondContact NE2-CB 3.3Å; H40-S60 PolarHBondContact NE2-OG 2.88Å; N55-S60 PolarHBondContact ND2-OG 2.88Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-S60 PolarHBondContact O-OG 3.1Å; A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 3.11Å; S60-V62 PolarHBondContact O-N 3.18Å; S60-V62 PolarHBondContact OG-N 3.19Å
61G86.2Confident92.4Very high51 Ų5129.2 Ų29.253%0.52618%0.178SC..SBendtrans78.7-18.2-174.200000114.3N2 S59N2-G61 PolarHBondContact ND2-O 3.22Å; S59-G61 VanDerWaalsContact C-N 3.34Å
62V92Very high92.4Very high10 Ų1030.4 Ų30.46%0.06118%0.183CC..  trans-104.398.1172.4-171.50000108.7M1 F38 F53 N55 S60M1-V62 HydrophobicContact CE-CB 4.2Å; M1-V62 HydrophobicContact CE-CG1 4.13Å; M1-V62 HydrophobicContact CE-CG2 3.61Å; F38-V62 HydrophobicContact CB-CG2 4.05Å; F38-V62 HydrophobicContact CD1-CG1 4.24Å; F38-V62 HydrophobicContact CD1-CG2 4Å; F38-V62 HydrophobicContact CD2-CG1 4.49Å; F38-V62 HydrophobicContact CE1-CG1 4.07Å; F38-V62 HydrophobicContact CE2-CG1 4.36Å; F38-V62 HydrophobicContact CG-CG1 4.44Å; F38-V62 HydrophobicContact CG-CG2 4.02Å; F38-V62 HydrophobicContact CZ-CG1 4.13Å; F53-V62 HydrophobicContact CE1-CG1 4.43Å; N55-V62 WeakPolarHBondContact CB-O 3.13Å; N55-V62 PolarHBondContact ND2-O 2.85Å; S60-V62 PolarHBondContact O-N 3.18Å; S60-V62 PolarHBondContact OG-N 3.19Å
63L92.1Very high92.4Very high48 Ų4833.9 Ų33.925%0.25120%0.199SC..SBendtrans-83.6-45.5176.6-60.5-180000111.1N2 H5 N55 A58N2-L63 PolarHBondContact OD1-N 2.76Å; H5-L63 VanDerWaalsContact CE1-CB 3.5Å; H5-L63 WeakPolarHBondContact CE1-CB 3.41Å; H5-L63 VanDerWaalsContact NE2-CD1 3.27Å; H5-L63 WeakPolarHBondContact NE2-CD1 3.47Å; N55-L63 PolarHBondContact N-O 2.82Å; A58-L63 HydrophobicContact CB-CD2 3.84Å; A58-L63 WeakPolarHBondContact O-CD2 3.46Å
64S93.3Very high92.5Very high0 Ų040.8 Ų40.80%023%0.231CC..EExtended strand (participates in β ladder)trans-145.3152.3176.273.80000112.6N2 Q3 S4 H5 F53N2-S64 WeakPolarHBondContact CA-OG 3.35Å; N2-S64 PolarHBondContact N-O 2.77Å; N2-S64 PolarHBondContact OD1-N 2.67Å; N2-S64 PolarHBondContact OD1-O 2.72Å; Q3-S64 PolarHBondContact N-OG 2.88Å; S4-S64 PolarHBondContact N-OG 3.39Å; S4-S64 VanDerWaalsContact N-OG 3.11Å; H5-S64 WeakPolarHBondContact ND1-CB 3.49Å; H5-S64 PolarHBondContact ND1-OG 2.87Å; F53-S64 CarbonylContact O-C 3.55Å; F53-S64 WeakPolarHBondContact O-CA 3.19Å; F53-S64 WeakPolarHBondContact O-CB 3.29Å
65F95.1Very high92.6Very high0 Ų042.5 Ų42.50%024%0.241CC..EExtended strand (participates in β ladder)trans-136.2131.4171.9-171-106000110.5M1 L31 L36 F38 I52 F53 M67 I91 W99M1-F65 HydrophobicContact CB-CD2 4.22Å; M1-F65 HydrophobicContact CG-CD2 4.29Å; L31-F65 HydrophobicContact CD1-CD1 4.22Å; L31-F65 HydrophobicContact CD1-CE1 4.14Å; L31-F65 HydrophobicContact CD2-CD1 3.81Å; L31-F65 HydrophobicContact CD2-CD2 4.32Å; L31-F65 HydrophobicContact CD2-CE1 3.23Å; L31-F65 HydrophobicContact CD2-CE2 3.85Å; L31-F65 HydrophobicContact CD2-CG 4.32Å; L31-F65 HydrophobicContact CD2-CZ 3.28Å; L31-F65 HydrophobicContact CG-CE1 4.26Å; L36-F65 HydrophobicContact CD2-CD2 4.19Å; L36-F65 HydrophobicContact CD2-CE2 3.41Å; L36-F65 VanDerWaalsContact CD2-CE2 3.41Å; L36-F65 HydrophobicContact CD2-CZ 3.87Å; F38-F65 HydrophobicContact CE1-CB 4.38Å; F38-F65 HydrophobicContact CE1-CD2 4.13Å; F38-F65 HydrophobicContact CE1-CG 4.12Å; F38-F65 HydrophobicContact CZ-CB 3.88Å; F38-F65 HydrophobicContact CZ-CD1 4.16Å; F38-F65 HydrophobicContact CZ-CD2 4.35Å; F38-F65 AromaticContact CZ-CG 3.88Å; F38-F65 HydrophobicContact CZ-CG 3.88Å; I52-F65 CarbonylContact C-O 3.53Å; I52-F65 WeakPolarHBondContact CA-O 3.43Å; F53-F65 HydrophobicContact CB-CB 4.27Å; F53-F65 HydrophobicContact CD1-CB 4.24Å; F53-F65 PolarHBondContact N-O 3.5Å; F53-F65 PolarHBondContact O-N 3.27Å; F65-M67 HydrophobicContact CD1-CE 4.4Å; F65-M67 HydrophobicContact CD1-CG 3.54Å; F65-M67 HydrophobicContact CD1-SD 4.01Å; F65-M67 HydrophobicContact CE1-CG 3.23Å; F65-M67 HydrophobicContact CE1-SD 3.77Å; F65-M67 HydrophobicContact CZ-CG 4.29Å; F65-I91 HydrophobicContact CE1-CG2 4.32Å; F65-I91 HydrophobicContact CZ-CG2 4.39Å; F65-W99 AromaticContact CE2-CE2 3.93Å; F65-W99 HydrophobicContact CE2-CZ2 4.31Å; F65-W99 AromaticContact CE2-NE1 3.58Å; F65-W99 AromaticContact CZ-CE2 3.91Å; F65-W99 AromaticContact CZ-CZ2 3.81Å; F65-W99 HydrophobicContact CZ-CZ2 3.81Å; F65-W99 AromaticContact CZ-NE1 3.9Å
66S95.6Very high92.7Very high5 Ų545.8 Ų45.84%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-114.4135.8-175.8-59.20000108.6S4S4-S66 WeakPolarHBondContact CB-OG 3.45Å; S4-S66 PolarHBondContact OG-OG 3.4Å
67M97.9Very high93Very high0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-130.891.5-177.6-61.1-178.9-82.200109R50 V51 F65 M72 I91 F105 L107R50-M67 VanDerWaalsContact CA-O 3.28Å; R50-M67 WeakPolarHBondContact CA-O 3.48Å; R50-M67 WeakPolarHBondContact CB-O 3.41Å; V51-M67 HydrophobicContact CB-CB 4.36Å; V51-M67 HydrophobicContact CB-CE 3.89Å; V51-M67 HydrophobicContact CG1-CE 3.62Å; V51-M67 PolarHBondContact N-O 2.72Å; V51-M67 PolarHBondContact O-N 3.17Å; F65-M67 HydrophobicContact CD1-CE 4.4Å; F65-M67 HydrophobicContact CD1-CG 3.54Å; F65-M67 HydrophobicContact CD1-SD 4.01Å; F65-M67 HydrophobicContact CE1-CG 3.23Å; F65-M67 HydrophobicContact CE1-SD 3.77Å; F65-M67 HydrophobicContact CZ-CG 4.29Å; M67-M72 HydrophobicContact CB-CE 3.29Å; M67-M72 HydrophobicContact CG-CE 4.3Å; M67-M72 WeakPolarHBondContact O-CE 3.22Å; M67-M72 HydrophobicContact SD-CE 4.19Å; M67-I91 HydrophobicContact CB-CD1 3.88Å; M67-I91 HydrophobicContact CB-CG1 4.26Å; M67-I91 HydrophobicContact CG-CD1 4.23Å; M67-I91 HydrophobicContact CG-CG1 4.05Å; M67-F105 HydrophobicContact SD-CB 4.15Å; M67-F105 HydrophobicContact SD-CD1 4.25Å; M67-F105 HydrophobicContact SD-CD2 4.49Å; M67-F105 HydrophobicContact SD-CG 4.06Å; M67-L107 HydrophobicContact CE-CD2 4.13Å
68P97Very high93.4Very high1 Ų139.2 Ų39.21%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-59.6136.6173.6-21.834000111.2V70 N71 M72 E94 Y196P68-V70 HydrophobicContact CB-CG2 4.09Å; P68-V70 PolarHBondContact O-N 2.85Å; P68-V70 VanDerWaalsContact O-N 3.15Å; P68-N71 HydrophobicContact CB-CB 4.42Å; P68-N71 PolarHBondContact O-N 3.45Å; P68-M72 PolarHBondContact O-N 3.49Å; P68-E94 WeakPolarHBondContact CD-OE2 3.35Å; P68-E94 HydrophobicContact CG-CG 3.82Å; P68-E94 WeakPolarHBondContact CG-OE1 3.3Å; P68-Y196 HydrophobicContact CB-CD1 3.8Å; P68-Y196 HydrophobicContact CB-CD2 4.08Å; P68-Y196 HydrophobicContact CB-CE1 3.85Å; P68-Y196 HydrophobicContact CB-CE2 4.13Å; P68-Y196 HydrophobicContact CB-CG 3.94Å; P68-Y196 HydrophobicContact CG-CD1 3.69Å; P68-Y196 HydrophobicContact CG-CE1 3.36Å; P68-Y196 HydrophobicContact CG-CE2 4.36Å; P68-Y196 HydrophobicContact CG-CG 4.34Å
69F97.8Very high94.3Very high5 Ų541.7 Ų41.72%0.02223%0.232CC..G310 helixtrans-57.6-36-178.2-55-37.2000112.1L46 T47 S48 H49 R50 V51 N71 M72 L121 L124 A128L46-F69 HydrophobicContact CD1-CE1 3.57Å; L46-F69 HydrophobicContact CD1-CZ 3.6Å; T47-F69 WeakPolarHBondContact O-CE2 3.26Å; T47-F69 WeakPolarHBondContact O-CZ 3.36Å; S48-F69 WeakPolarHBondContact O-CE2 3.44Å; H49-F69 VanDerWaalsContact O-CD2 3.25Å; H49-F69 WeakPolarHBondContact O-CD2 3.39Å; H49-F69 WeakPolarHBondContact O-CG 2.91Å; H49-F69 PolarHBondContact O-N 3.09Å; H49-F69 VanDerWaalsContact O-N 3.12Å; R50-F69 VanDerWaalsContact CA-CE1 3.49Å; R50-F69 VanDerWaalsContact N-CZ 3.34Å; V51-F69 HydrophobicContact CG2-CE1 4.08Å; F69-N71 PolarHBondContact O-N 3.31Å; F69-M72 HydrophobicContact CD1-SD 4.34Å; F69-M72 WeakPolarHBondContact O-CB 3.41Å; F69-M72 PolarHBondContact O-N 2.94Å; F69-L121 HydrophobicContact CD1-CD1 3.41Å; F69-L121 VanDerWaalsContact CD1-CD1 3.41Å; F69-L121 HydrophobicContact CE1-CD1 3.29Å; F69-L121 HydrophobicContact CG-CD1 4.49Å; F69-L121 HydrophobicContact CZ-CD1 4.29Å; F69-L124 HydrophobicContact CD2-CB 3.99Å; F69-L124 HydrophobicContact CE2-CB 3.56Å; F69-L124 HydrophobicContact CE2-CD1 4.12Å; F69-L124 HydrophobicContact CE2-CG 4.29Å; F69-L124 HydrophobicContact CZ-CB 3.94Å; F69-L124 HydrophobicContact CZ-CD1 3.85Å; F69-L124 HydrophobicContact CZ-CG 4.46Å; F69-A128 HydrophobicContact CB-CB 4.28Å; F69-A128 HydrophobicContact CD2-CB 4.12Å
70V95.6Very high94.9Very high15 Ų1539 Ų399%0.09121%0.212CC..G310 helixtrans-71.5-7.8-178.8-65.60000114.9P68 A128 K132 Y196 P197P68-V70 HydrophobicContact CB-CG2 4.09Å; P68-V70 PolarHBondContact O-N 2.85Å; P68-V70 VanDerWaalsContact O-N 3.15Å; V70-A128 HydrophobicContact CG1-CB 4.02Å; V70-K132 HydrophobicContact CB-CD 4.09Å; V70-K132 VanDerWaalsContact CB-CE 3.45Å; V70-K132 HydrophobicContact CG1-CD 3.88Å; V70-K132 HydrophobicContact CG1-CG 3.97Å; V70-K132 PolarHBondContact O-NZ 3.22Å; V70-Y196 HydrophobicContact CG2-CG 4.36Å; V70-P197 HydrophobicContact CG1-CG 3.98Å
71N96.8Very high95.4Very high33 Ų3343.8 Ų43.818%0.17624%0.239CC..G310 helixtrans-105.6-3.2173.6-73.147.4000112P68 F69 I91 T92P68-N71 HydrophobicContact CB-CB 4.42Å; P68-N71 PolarHBondContact O-N 3.45Å; F69-N71 PolarHBondContact O-N 3.31Å; N71-I91 HydrophobicContact CB-CD1 3.61Å; N71-T92 PolarHBondContact ND2-O 3.37Å; N71-T92 PolarHBondContact O-N 3.18Å
72M98.5Very high95.4Very high24 Ų2450.4 Ų50.412%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-88.9144.1176.3-63.6-179.8171.500111V51 M67 P68 F69 V75 I90 I91 F105 L121V51-M72 HydrophobicContact CB-CE 3.95Å; V51-M72 HydrophobicContact CG2-CE 3.7Å; M67-M72 HydrophobicContact CB-CE 3.29Å; M67-M72 HydrophobicContact CG-CE 4.3Å; M67-M72 WeakPolarHBondContact O-CE 3.22Å; M67-M72 HydrophobicContact SD-CE 4.19Å; P68-M72 PolarHBondContact O-N 3.49Å; F69-M72 HydrophobicContact CD1-SD 4.34Å; F69-M72 WeakPolarHBondContact O-CB 3.41Å; F69-M72 PolarHBondContact O-N 2.94Å; M72-V75 HydrophobicContact CB-CG2 3.85Å; M72-V75 HydrophobicContact SD-CG2 4.27Å; M72-I90 CarbonylContact C-O 3.49Å; M72-I90 VanDerWaalsContact CA-O 3.29Å; M72-I90 WeakPolarHBondContact CA-O 3.43Å; M72-I91 HydrophobicContact CG-CD1 4.01Å; M72-F105 HydrophobicContact CB-CE1 4.49Å; M72-F105 HydrophobicContact CE-CZ 4.34Å; M72-F105 HydrophobicContact CG-CE1 4.11Å; M72-F105 HydrophobicContact CG-CZ 4.42Å; M72-F105 HydrophobicContact SD-CE1 4.37Å; M72-F105 HydrophobicContact SD-CZ 4.12Å; M72-L121 HydrophobicContact CE-CD1 4.37Å; M72-L121 HydrophobicContact SD-CD1 3.92Å; M72-L121 HydrophobicContact SD-CD2 4.16Å; M72-L121 HydrophobicContact SD-CG 4.43Å
73K97.7Very high95.1Very high74 Ų7453 Ų5332%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-138.4161.1168.966.5-175.2-178.8-171.20110.5V75 I90 E102K73-V75 PolarHBondContact O-N 3.22Å; K73-V75 VanDerWaalsContact O-N 3.17Å; K73-I90 HydrophobicContact CD-CB 4.3Å; K73-I90 HydrophobicContact CD-CD1 4.46Å; K73-I90 HydrophobicContact CD-CG2 4.39Å; K73-I90 HydrophobicContact CG-CB 3.66Å; K73-I90 HydrophobicContact CG-CD1 4.29Å; K73-I90 HydrophobicContact CG-CG1 4.48Å; K73-I90 HydrophobicContact CG-CG2 4.19Å; K73-I90 PolarHBondContact N-O 3.08Å; K73-I90 PolarHBondContact O-N 2.61Å; K73-E102 WeakPolarHBondContact CE-OE2 3.16Å; K73-E102 IonicContact NZ-OE1 2.64Å; K73-E102 PolarHBondContact NZ-OE1 3.2Å; K73-E102 IonicContact NZ-OE2 3.44Å; K73-E102 PolarHBondContact NZ-OE2 2.82Å
74E97.9Very high95Very high144 Ų14452.6 Ų52.667%0.67329%0.286SS*.EExtended strand (participates in β ladder)trans53.936.7175.6-60.3174-147.700113.2D76 G89E74-D76 PolarHBondContact O-N 2.91Å; E74-G89 WeakPolarHBondContact O-CA 3.38Å
75V98.6Very high95.2Very high36 Ų3655.1 Ų55.122%0.21830%0.3CS..EExtended strand (participates in β ladder)trans-70.7121.5178.4-175.40000109.5M72 K73 V87 E88 F105 L121 I122M72-V75 HydrophobicContact CB-CG2 3.85Å; M72-V75 HydrophobicContact SD-CG2 4.27Å; K73-V75 PolarHBondContact O-N 3.22Å; K73-V75 VanDerWaalsContact O-N 3.17Å; V75-V87 HydrophobicContact CG1-CG1 3.84Å; V75-E88 CarbonylContact C-O 3.56Å; V75-E88 VanDerWaalsContact CA-O 3.27Å; V75-E88 WeakPolarHBondContact CA-O 3.37Å; V75-F105 HydrophobicContact CG2-CZ 4.06Å; V75-L121 HydrophobicContact CG1-CD2 3.85Å; V75-L121 HydrophobicContact CG1-CG 4.29Å; V75-I122 HydrophobicContact CB-CG1 4.38Å; V75-I122 HydrophobicContact CG1-CG1 4.05Å
76D98.1Very high95.3Very high75 Ų7558.3 Ų58.340%0.40131%0.312SS..EExtended strand (participates in β ladder)trans-144.2155.3-176.7-171.429.4000111.8E74 K78 V87 E88E74-D76 PolarHBondContact O-N 2.91Å; D76-K78 IonicContact OD2-NZ 2.71Å; D76-K78 PolarHBondContact OD2-NZ 3.03Å; D76-V87 WeakPolarHBondContact O-CA 3.41Å; D76-E88 PolarHBondContact N-O 2.93Å; D76-E88 PolarHBondContact O-N 2.97Å
77I98.5Very high95.5Very high31 Ų3158 Ų5816%0.15931%0.31CS..EExtended strand (participates in β ladder)trans-103118.3-177.8-53.1168.7000108.1Q79 T119I77-Q79 HydrophobicContact CG2-CG 4.11Å; I77-T119 HydrophobicContact CD1-CG2 3.83Å
78K97.5Very high95.5Very high70 Ų7060.6 Ų60.630%0.30432%0.322SS..EExtended strand (participates in β ladder)trans-96.5122.9175.9-54.8-54.6-176.9-168.10110.4D76 P80 N85 R86 E88D76-K78 IonicContact OD2-NZ 2.71Å; D76-K78 PolarHBondContact OD2-NZ 3.03Å; K78-P80 WeakPolarHBondContact O-CD 3.43Å; K78-N85 WeakPolarHBondContact O-CA 3.43Å; K78-R86 HydrophobicContact CB-CG 3.82Å; K78-R86 HydrophobicContact CG-CG 4.31Å; K78-R86 PolarHBondContact N-O 3.05Å; K78-R86 PolarHBondContact O-N 2.97Å; K78-R86 VanDerWaalsContact O-N 3.09Å; K78-E88 VanDerWaalsContact CE-OE2 3.23Å; K78-E88 WeakPolarHBondContact CE-OE2 3.37Å; K78-E88 HydrophobicContact CG-CG 4.13Å; K78-E88 VanDerWaalsContact CG-OE2 3.3Å; K78-E88 WeakPolarHBondContact CG-OE2 3.37Å
79Q95.6Very high95.6Very high116 Ų11660.9 Ų60.954%0.54233%0.325SS..  trans-123.672.7177.5-59.3-176.8-96.600110.4I77 N85I77-Q79 HydrophobicContact CG2-CG 4.11Å; Q79-N85 WeakPolarHBondContact CA-OD1 3.42Å
80P92Very high95.7Very high46 Ų4661.7 Ų61.730%0.29933%0.329SS..  trans-70.7146.5-178.932.4-36.1000111.1K78 F82K78-P80 WeakPolarHBondContact O-CD 3.43Å; P80-F82 WeakPolarHBondContact CB-O 3.36Å; P80-F82 PolarHBondContact O-N 3.19Å
81V89Confident95.8Very high136 Ų13661 Ų6182%0.82433%0.325SS*.SBendtrans-60.3-34.5172.9179.40000111
82F86.1Confident95.8Very high189 Ų18961.8 Ų61.883%0.82933%0.331SS*.SBendtrans-121.4116.2173.6-57.1-72.8000109.6P80P80-F82 WeakPolarHBondContact CB-O 3.36Å; P80-F82 PolarHBondContact O-N 3.19Å
83G85.9Confident95.6Very high64 Ų6461.6 Ų61.666%0.6633%0.334SS*.SBendtrans130-179.8-179.400000112
84A90.7Very high95.2Very high40 Ų4059.4 Ų59.433%0.33133%0.325SS..  trans-92.2144.7177.300000110.9T108A84-T108 HydrophobicContact CB-CG2 3.48Å; A84-T108 VanDerWaalsContact CB-CG2 3.48Å
85N97Very high94.5Very high53 Ų5358.2 Ų58.228%0.28333%0.329SS..  trans-65.3139.2172.6-65.8-18.1000110.1K78 Q79 F109 A114K78-N85 WeakPolarHBondContact O-CA 3.43Å; Q79-N85 WeakPolarHBondContact CA-OD1 3.42Å; N85-F109 PolarHBondContact O-N 3.35Å; N85-A114 HydrophobicContact CB-CB 3.52Å
86R98.3Very high93.7Very high67 Ų6762.5 Ų62.525%0.25335%0.351SS..EExtended strand (participates in β ladder)trans-149.4156.4-176.563.5-169.2-164.7-77.5-7.7112K78 E88 S106 L107K78-R86 HydrophobicContact CB-CG 3.82Å; K78-R86 HydrophobicContact CG-CG 4.31Å; K78-R86 PolarHBondContact N-O 3.05Å; K78-R86 PolarHBondContact O-N 2.97Å; K78-R86 VanDerWaalsContact O-N 3.09Å; R86-E88 HydrophobicContact CG-CG 4.21Å; R86-E88 IonicContact CZ-OE1 3.26Å; R86-E88 VanDerWaalsContact CZ-OE1 3.26Å; R86-E88 VanDerWaalsContact NE-CD 3.35Å; R86-E88 IonicContact NE-OE1 2.66Å; R86-E88 PolarHBondContact NE-OE1 3.44Å; R86-E88 IonicContact NE-OE2 3.99Å; R86-E88 IonicContact NH2-OE1 2.99Å; R86-E88 PolarHBondContact NH2-OE1 3.15Å; R86-E88 IonicContact NH2-OE2 3.44Å; R86-E88 PolarHBondContact NH2-OE2 3.06Å; R86-S106 WeakPolarHBondContact CD-OG 3.3Å; R86-L107 CarbonylContact C-O 3.58Å; R86-L107 WeakPolarHBondContact CA-O 3.04Å; R86-L107 WeakPolarHBondContact CB-O 3.38Å
87V98.8Very high93Very high0 Ų059 Ų590%033%0.332CS..EExtended strand (participates in β ladder)trans-106.3126.5171.3-179.60000107.6V75 D76 L107 F109 A114 F117 L121V75-V87 HydrophobicContact CG1-CG1 3.84Å; D76-V87 WeakPolarHBondContact O-CA 3.41Å; V87-L107 HydrophobicContact CB-CB 4.4Å; V87-L107 PolarHBondContact N-O 2.89Å; V87-L107 PolarHBondContact O-N 2.84Å; V87-F109 HydrophobicContact CB-CE2 4.26Å; V87-F109 HydrophobicContact CG2-CE2 3.86Å; V87-A114 WeakPolarHBondContact CG2-O 3.48Å; V87-F117 HydrophobicContact CG2-CD1 4.25Å; V87-L121 HydrophobicContact CG1-CD2 4.13Å
88E98.7Very high92.4Very high53 Ų5360.7 Ų60.725%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-119.6157.3179.9-66.6-174.915300110.6V75 D76 K78 R86 F105 S106V75-E88 CarbonylContact C-O 3.56Å; V75-E88 VanDerWaalsContact CA-O 3.27Å; V75-E88 WeakPolarHBondContact CA-O 3.37Å; D76-E88 PolarHBondContact N-O 2.93Å; D76-E88 PolarHBondContact O-N 2.97Å; K78-E88 VanDerWaalsContact CE-OE2 3.23Å; K78-E88 WeakPolarHBondContact CE-OE2 3.37Å; K78-E88 HydrophobicContact CG-CG 4.13Å; K78-E88 VanDerWaalsContact CG-OE2 3.3Å; K78-E88 WeakPolarHBondContact CG-OE2 3.37Å; R86-E88 HydrophobicContact CG-CG 4.21Å; R86-E88 IonicContact CZ-OE1 3.26Å; R86-E88 VanDerWaalsContact CZ-OE1 3.26Å; R86-E88 VanDerWaalsContact NE-CD 3.35Å; R86-E88 IonicContact NE-OE1 2.66Å; R86-E88 PolarHBondContact NE-OE1 3.44Å; R86-E88 IonicContact NE-OE2 3.99Å; R86-E88 IonicContact NH2-OE1 2.99Å; R86-E88 PolarHBondContact NH2-OE1 3.15Å; R86-E88 IonicContact NH2-OE2 3.44Å; R86-E88 PolarHBondContact NH2-OE2 3.06Å; E88-F105 VanDerWaalsContact CA-O 3.29Å; E88-F105 WeakPolarHBondContact CA-O 3.48Å; E88-S106 PolarHBondContact OE1-OG 2.99Å
89G98.8Very high92.2Very high7 Ų758.6 Ų58.67%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-178.7-170.2171.100000111E74 K104 F105E74-G89 WeakPolarHBondContact O-CA 3.38Å; G89-K104 CarbonylContact O-C 3.58Å; G89-K104 WeakPolarHBondContact O-CA 3.35Å; G89-F105 VanDerWaalsContact C-CD1 3.46Å; G89-F105 PolarHBondContact N-O 3.09Å; G89-F105 VanDerWaalsContact N-O 3.14Å; G89-F105 WeakPolarHBondContact O-CD1 3.19Å; G89-F105 PolarHBondContact O-N 3.2Å
90I98.7Very high92.1Very high22 Ų2260 Ų6011%0.11336%0.355CS..EExtended strand (participates in β ladder)trans-115.6135174.2-57163000108.2M72 K73 E102 A103 K104M72-I90 CarbonylContact C-O 3.49Å; M72-I90 VanDerWaalsContact CA-O 3.29Å; M72-I90 WeakPolarHBondContact CA-O 3.43Å; K73-I90 HydrophobicContact CD-CB 4.3Å; K73-I90 HydrophobicContact CD-CD1 4.46Å; K73-I90 HydrophobicContact CD-CG2 4.39Å; K73-I90 HydrophobicContact CG-CB 3.66Å; K73-I90 HydrophobicContact CG-CD1 4.29Å; K73-I90 HydrophobicContact CG-CG1 4.48Å; K73-I90 HydrophobicContact CG-CG2 4.19Å; K73-I90 PolarHBondContact N-O 3.08Å; K73-I90 PolarHBondContact O-N 2.61Å; I90-E102 HydrophobicContact CG2-CB 3.96Å; I90-A103 WeakPolarHBondContact CA-O 3.35Å; I90-K104 HydrophobicContact CG1-CG 4.15Å
91I98.3Very high92.3Very high2 Ų259.6 Ų59.61%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-113133.5173.3-178.266.7000109.1L31 F65 M67 N71 M72 W99 E102 A103 F105L31-I91 HydrophobicContact CD2-CG2 4.46Å; F65-I91 HydrophobicContact CE1-CG2 4.32Å; F65-I91 HydrophobicContact CZ-CG2 4.39Å; M67-I91 HydrophobicContact CB-CD1 3.88Å; M67-I91 HydrophobicContact CB-CG1 4.26Å; M67-I91 HydrophobicContact CG-CD1 4.23Å; M67-I91 HydrophobicContact CG-CG1 4.05Å; N71-I91 HydrophobicContact CB-CD1 3.61Å; M72-I91 HydrophobicContact CG-CD1 4.01Å; I91-W99 HydrophobicContact CG1-CZ2 4.27Å; I91-W99 HydrophobicContact CG2-CH2 4.09Å; I91-W99 HydrophobicContact CG2-CZ2 4.23Å; I91-W99 WeakPolarHBondContact O-CH2 3.47Å; I91-E102 VanDerWaalsContact O-CA 3.3Å; I91-E102 WeakPolarHBondContact O-CA 3.34Å; I91-A103 HydrophobicContact CG2-CB 4.27Å; I91-A103 WeakPolarHBondContact CG2-O 3.4Å; I91-A103 PolarHBondContact N-O 2.88Å; I91-A103 PolarHBondContact O-N 3.48Å; I91-F105 HydrophobicContact CB-CD1 3.94Å; I91-F105 HydrophobicContact CB-CE1 4.43Å; I91-F105 HydrophobicContact CG2-CD1 4.08Å
92T97.8Very high92.7Very high49 Ų4957.2 Ų57.230%0.30134%0.338SS..EExtended strand (participates in β ladder)trans-99.7139.1171.8-50.90000110.1N71 E102N71-T92 PolarHBondContact ND2-O 3.37Å; N71-T92 PolarHBondContact O-N 3.18Å; T92-E102 HydrophobicContact CG2-CG 4.04Å; T92-E102 PolarHBondContact OG1-OE1 2.75Å
93A94.3Very high93.3Very high20 Ų2048.3 Ų48.317%0.16530%0.3CS..PPolyproline II helixtrans-56.5139.7179.900000112.7W99 G101A93-W99 VanDerWaalsContact CA-CZ2 3.47Å; A93-W99 HydrophobicContact CB-CD2 3.75Å; A93-W99 HydrophobicContact CB-CE3 4.1Å; A93-W99 HydrophobicContact CB-CG 4.25Å; A93-W99 HydrophobicContact CB-CH2 4.19Å; A93-W99 HydrophobicContact CB-CZ2 3.84Å; A93-W99 HydrophobicContact CB-CZ3 4.31Å; A93-W99 WeakPolarHBondContact CB-O 3.4Å; A93-G101 PolarHBondContact N-O 2.82Å
94E88.9Confident93.9Very high28 Ų2852 Ų5213%0.13130%0.297CS..PPolyproline II helixtrans-74.8148.5169.8-64173.77700110.2P68 N96 G97 Y196P68-E94 WeakPolarHBondContact CD-OE2 3.35Å; P68-E94 HydrophobicContact CG-CG 3.82Å; P68-E94 WeakPolarHBondContact CG-OE1 3.3Å; E94-N96 PolarHBondContact O-N 3.12Å; E94-G97 PolarHBondContact O-N 2.83Å; E94-Y196 VanDerWaalsContact OE1-CE1 3.26Å; E94-Y196 WeakPolarHBondContact OE1-CE1 3.3Å
95P83.2Confident94.3Very high118 Ų11850.2 Ų50.277%0.76628%0.282SS*.THydrogen-bonded Turntrans-52127.2165.4-23.733.9000110G97P95-G97 PolarHBondContact O-N 2.8Å
96N80.7Confident94.4Very high127 Ų12748.4 Ų48.468%0.67927%0.274SS*.THydrogen-bonded Turntrans59.323.1-176.3-49.2-46.5000114.6Q3 E94 G98Q3-N96 PolarHBondContact NE2-O 3.44Å; E94-N96 PolarHBondContact O-N 3.12Å; N96-G98 PolarHBondContact O-N 3.04Å
97G84.3Confident94.4Very high1 Ų145.2 Ų45.21%0.0126%0.261CS..SBendtrans-74.71.5179.400000115.2M1 E94 P95 W99M1-G97 WeakPolarHBondContact CB-O 3.41Å; M1-G97 PolarHBondContact N-O 3.33Å; E94-G97 PolarHBondContact O-N 2.83Å; P95-G97 PolarHBondContact O-N 2.8Å; G97-W99 VanDerWaalsContact C-N 3.33Å
98G86.2Confident94.4Very high67 Ų6746.1 Ų46.169%0.69127%0.267SS*.SBendtrans79.68.6-179.100000115.1N96N96-G98 PolarHBondContact O-N 3.04Å
99W92.6Very high94.4Very high26 Ų2643.9 Ų43.910%0.09826%0.257CS..SBendtrans-154.6173.3174.372.1-71.4000109.6L36 F65 I91 A93 G97 A103L36-W99 HydrophobicContact CB-CB 4.4Å; L36-W99 HydrophobicContact CB-CD2 4.1Å; L36-W99 HydrophobicContact CB-CE3 3.53Å; L36-W99 HydrophobicContact CB-CG 4.5Å; L36-W99 HydrophobicContact CB-CZ3 4.11Å; L36-W99 HydrophobicContact CD2-CB 4.2Å; L36-W99 HydrophobicContact CD2-CD2 3.41Å; L36-W99 VanDerWaalsContact CD2-CD2 3.41Å; L36-W99 HydrophobicContact CD2-CE3 3.62Å; L36-W99 HydrophobicContact CD2-CG 3.69Å; L36-W99 HydrophobicContact CD2-CH2 4.47Å; L36-W99 HydrophobicContact CD2-CZ2 4.32Å; L36-W99 HydrophobicContact CD2-CZ3 4.16Å; L36-W99 HydrophobicContact CG-CD2 4.38Å; L36-W99 HydrophobicContact CG-CE3 4.22Å; F65-W99 AromaticContact CE2-CE2 3.93Å; F65-W99 HydrophobicContact CE2-CZ2 4.31Å; F65-W99 AromaticContact CE2-NE1 3.58Å; F65-W99 AromaticContact CZ-CE2 3.91Å; F65-W99 AromaticContact CZ-CZ2 3.81Å; F65-W99 HydrophobicContact CZ-CZ2 3.81Å; F65-W99 AromaticContact CZ-NE1 3.9Å; I91-W99 HydrophobicContact CG1-CZ2 4.27Å; I91-W99 HydrophobicContact CG2-CH2 4.09Å; I91-W99 HydrophobicContact CG2-CZ2 4.23Å; I91-W99 WeakPolarHBondContact O-CH2 3.47Å; A93-W99 VanDerWaalsContact CA-CZ2 3.47Å; A93-W99 HydrophobicContact CB-CD2 3.75Å; A93-W99 HydrophobicContact CB-CE3 4.1Å; A93-W99 HydrophobicContact CB-CG 4.25Å; A93-W99 HydrophobicContact CB-CH2 4.19Å; A93-W99 HydrophobicContact CB-CZ2 3.84Å; A93-W99 HydrophobicContact CB-CZ3 4.31Å; A93-W99 WeakPolarHBondContact CB-O 3.4Å; G97-W99 VanDerWaalsContact C-N 3.33Å; W99-A103 HydrophobicContact CH2-CB 4.07Å; W99-A103 HydrophobicContact CZ3-CB 4.02Å
100Q93.8Very high94.2Very high146 Ų14650.5 Ų50.568%0.68228%0.283SS*.  trans-135.5158.3-175.5-62.6-177.945.300112.2
101G96.1Very high94.1Very high37 Ų3754.2 Ų54.238%0.38130%0.299SS..SBendtrans79.9-146.3175.700000113.3A93A93-G101 PolarHBondContact N-O 2.82Å
102E97.9Very high94Very high86 Ų8655.4 Ų55.440%0.40231%0.311SS..EExtended strand (participates in β ladder)trans-128.4152.4-178.1-58.6-170.2153.300110.8K73 I90 I91 T92K73-E102 WeakPolarHBondContact CE-OE2 3.16Å; K73-E102 IonicContact NZ-OE1 2.64Å; K73-E102 PolarHBondContact NZ-OE1 3.2Å; K73-E102 IonicContact NZ-OE2 3.44Å; K73-E102 PolarHBondContact NZ-OE2 2.82Å; I90-E102 HydrophobicContact CG2-CB 3.96Å; I91-E102 VanDerWaalsContact O-CA 3.3Å; I91-E102 WeakPolarHBondContact O-CA 3.34Å; T92-E102 HydrophobicContact CG2-CG 4.04Å; T92-E102 PolarHBondContact OG1-OE1 2.75Å
103A98.5Very high94Very high2 Ų253.2 Ų53.22%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-136.9143.9173.100000109.8L31 D32 I90 I91 W99L31-A103 HydrophobicContact CB-CB 4.49Å; L31-A103 HydrophobicContact CD2-CB 4.35Å; L31-A103 HydrophobicContact CG-CB 4.35Å; D32-A103 WeakPolarHBondContact O-CA 3.37Å; I90-A103 WeakPolarHBondContact CA-O 3.35Å; I91-A103 HydrophobicContact CG2-CB 4.27Å; I91-A103 WeakPolarHBondContact CG2-O 3.4Å; I91-A103 PolarHBondContact N-O 2.88Å; I91-A103 PolarHBondContact O-N 3.48Å; W99-A103 HydrophobicContact CH2-CB 4.07Å; W99-A103 HydrophobicContact CZ3-CB 4.02Å
104K98.8Very high94.2Very high141 Ų14152.3 Ų52.361%0.61329%0.292SS*.EExtended strand (participates in β ladder)trans-74.4128.2164-70.1179.6179.5179.80108L31 D32 G89 I90L31-K104 CarbonylContact C-O 3.56Å; L31-K104 WeakPolarHBondContact CA-O 3.42Å; D32-K104 PolarHBondContact N-O 2.78Å; D32-K104 PolarHBondContact O-N 3.26Å; G89-K104 CarbonylContact O-C 3.58Å; G89-K104 WeakPolarHBondContact O-CA 3.35Å; I90-K104 HydrophobicContact CG1-CG 4.15Å
105F98.7Very high94.6Very high3 Ų354 Ų541%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-105.2148.1172.669.5-98.4000110.5E30 L31 M67 M72 V75 E88 G89 I91 L107E30-F105 CarbonylContact O-C 3.57Å; E30-F105 VanDerWaalsContact O-CA 3.27Å; E30-F105 WeakPolarHBondContact O-CA 3.03Å; L31-F105 HydrophobicContact CD1-CB 3.89Å; L31-F105 HydrophobicContact CG-CB 4.33Å; M67-F105 HydrophobicContact SD-CB 4.15Å; M67-F105 HydrophobicContact SD-CD1 4.25Å; M67-F105 HydrophobicContact SD-CD2 4.49Å; M67-F105 HydrophobicContact SD-CG 4.06Å; M72-F105 HydrophobicContact CB-CE1 4.49Å; M72-F105 HydrophobicContact CE-CZ 4.34Å; M72-F105 HydrophobicContact CG-CE1 4.11Å; M72-F105 HydrophobicContact CG-CZ 4.42Å; M72-F105 HydrophobicContact SD-CE1 4.37Å; M72-F105 HydrophobicContact SD-CZ 4.12Å; V75-F105 HydrophobicContact CG2-CZ 4.06Å; E88-F105 VanDerWaalsContact CA-O 3.29Å; E88-F105 WeakPolarHBondContact CA-O 3.48Å; G89-F105 VanDerWaalsContact C-CD1 3.46Å; G89-F105 PolarHBondContact N-O 3.09Å; G89-F105 VanDerWaalsContact N-O 3.14Å; G89-F105 WeakPolarHBondContact O-CD1 3.19Å; G89-F105 PolarHBondContact O-N 3.2Å; I91-F105 HydrophobicContact CB-CD1 3.94Å; I91-F105 HydrophobicContact CB-CE1 4.43Å; I91-F105 HydrophobicContact CG2-CD1 4.08Å; F105-L107 HydrophobicContact CD2-CD1 4.45Å; F105-L107 HydrophobicContact CD2-CD2 4.45Å; F105-L107 HydrophobicContact CD2-CG 4.06Å; F105-L107 HydrophobicContact CE2-CD1 4.4Å; F105-L107 HydrophobicContact CE2-CG 4.42Å
106S98.8Very high95.3Very high14 Ų1450.6 Ų50.610%0.09827%0.274CS..EExtended strand (participates in β ladder)trans-136.8123.7173.3-1660000109.9V29 E30 R86 E88V29-S106 WeakPolarHBondContact CA-O 3.14Å; E30-S106 PolarHBondContact N-O 3.5Å; E30-S106 PolarHBondContact O-N 3.12Å; R86-S106 WeakPolarHBondContact CD-OG 3.3Å; E88-S106 PolarHBondContact OE1-OG 2.99Å
107L98.8Very high96.2Very high0 Ų044.5 Ų44.50%024%0.242CC..EExtended strand (participates in β ladder)trans-112.7102.7-179.9-50.3-179.9000108.4V29 L44 V51 M67 R86 V87 F105 F109 F117V29-L107 HydrophobicContact CB-CD2 4.29Å; V29-L107 HydrophobicContact CG1-CD2 3.85Å; V29-L107 HydrophobicContact CG2-CD2 3.75Å; L44-L107 HydrophobicContact CD1-CB 4.26Å; L44-L107 HydrophobicContact CD1-CD1 4.02Å; L44-L107 HydrophobicContact CD1-CD2 4.27Å; L44-L107 HydrophobicContact CD1-CG 4.41Å; L44-L107 HydrophobicContact CD2-CD2 4.38Å; V51-L107 HydrophobicContact CG1-CD1 4.38Å; M67-L107 HydrophobicContact CE-CD2 4.13Å; R86-L107 CarbonylContact C-O 3.58Å; R86-L107 WeakPolarHBondContact CA-O 3.04Å; R86-L107 WeakPolarHBondContact CB-O 3.38Å; V87-L107 HydrophobicContact CB-CB 4.4Å; V87-L107 PolarHBondContact N-O 2.89Å; V87-L107 PolarHBondContact O-N 2.84Å; F105-L107 HydrophobicContact CD2-CD1 4.45Å; F105-L107 HydrophobicContact CD2-CD2 4.45Å; F105-L107 HydrophobicContact CD2-CG 4.06Å; F105-L107 HydrophobicContact CE2-CD1 4.4Å; F105-L107 HydrophobicContact CE2-CG 4.42Å; L107-F109 HydrophobicContact CB-CE2 3.65Å; L107-F109 HydrophobicContact CB-CZ 4.02Å; L107-F109 WeakPolarHBondContact O-CD2 3.11Å; L107-F109 WeakPolarHBondContact O-CE2 3.22Å; L107-F117 HydrophobicContact CD1-CE1 3.73Å; L107-F117 HydrophobicContact CD1-CZ 4.22Å
108T98.7Very high96.9Very high20 Ų2044.5 Ų44.512%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-99.1124.2-175.9-60.40000111.6C27 H28 A84 K110C27-T108 PolarHBondContact SG-O 3.01Å; C27-T108 VanDerWaalsContact SG-O 3.33Å; H28-T108 PolarHBondContact N-O 2.98Å; H28-T108 VanDerWaalsContact N-O 3.1Å; H28-T108 PolarHBondContact O-N 3.15Å; A84-T108 HydrophobicContact CB-CG2 3.48Å; A84-T108 VanDerWaalsContact CB-CG2 3.48Å; T108-K110 HydrophobicContact CG2-CG 4.48Å
109F98.1Very high97.4Very high5 Ų544.2 Ų44.22%0.02223%0.227CC..  trans-107.785.1-171.1-62.6-98.6000111.1Y24 L44 N85 V87 L107 K111 G112 A114 F117Y24-F109 HydrophobicContact CD1-CD1 4.12Å; Y24-F109 HydrophobicContact CD1-CE1 4.4Å; Y24-F109 AromaticContact CD2-CD1 3.84Å; Y24-F109 HydrophobicContact CD2-CD1 3.84Å; Y24-F109 HydrophobicContact CD2-CE1 4.23Å; Y24-F109 AromaticContact CE1-CD1 3.93Å; Y24-F109 HydrophobicContact CE1-CD1 3.93Å; Y24-F109 HydrophobicContact CE2-CB 4.46Å; Y24-F109 AromaticContact CE2-CD1 3.64Å; Y24-F109 HydrophobicContact CE2-CD1 3.64Å; Y24-F109 HydrophobicContact CE2-CE1 4.46Å; Y24-F109 HydrophobicContact CG-CD1 4.06Å; Y24-F109 HydrophobicContact CG-CE1 4.17Å; Y24-F109 AromaticContact CZ-CD1 3.66Å; Y24-F109 WeakPolarHBondContact OH-CA 3.3Å; L44-F109 HydrophobicContact CD1-CE1 4.09Å; L44-F109 HydrophobicContact CD1-CZ 3.9Å; N85-F109 PolarHBondContact O-N 3.35Å; V87-F109 HydrophobicContact CB-CE2 4.26Å; V87-F109 HydrophobicContact CG2-CE2 3.86Å; L107-F109 HydrophobicContact CB-CE2 3.65Å; L107-F109 HydrophobicContact CB-CZ 4.02Å; L107-F109 WeakPolarHBondContact O-CD2 3.11Å; L107-F109 WeakPolarHBondContact O-CE2 3.22Å; F109-K111 PolarHBondContact O-N 2.81Å; F109-G112 WeakPolarHBondContact CB-O 3.28Å; F109-G112 PolarHBondContact O-N 2.66Å; F109-A114 HydrophobicContact CB-CB 3.99Å; F109-A114 HydrophobicContact CD2-CB 3.66Å; F109-A114 HydrophobicContact CE2-CB 4.45Å; F109-A114 HydrophobicContact CG-CB 4Å; F109-F117 HydrophobicContact CE1-CB 3.92Å; F109-F117 HydrophobicContact CE1-CD1 4.22Å; F109-F117 AromaticContact CE1-CD2 3.83Å; F109-F117 HydrophobicContact CE1-CD2 3.83Å; F109-F117 HydrophobicContact CE1-CE2 4.39Å; F109-F117 AromaticContact CE1-CG 3.72Å; F109-F117 HydrophobicContact CE1-CG 3.72Å; F109-F117 HydrophobicContact CE2-CD1 4.19Å; F109-F117 HydrophobicContact CE2-CG 4.4Å; F109-F117 HydrophobicContact CZ-CB 3.84Å; F109-F117 AromaticContact CZ-CD1 3.45Å; F109-F117 HydrophobicContact CZ-CD1 3.45Å; F109-F117 VanDerWaalsContact CZ-CD1 3.45Å; F109-F117 AromaticContact CZ-CD2 3.88Å; F109-F117 HydrophobicContact CZ-CD2 3.88Å; F109-F117 AromaticContact CZ-CE1 3.92Å; F109-F117 HydrophobicContact CZ-CE1 3.92Å; F109-F117 HydrophobicContact CZ-CE2 4.3Å; F109-F117 AromaticContact CZ-CG 3.43Å; F109-F117 HydrophobicContact CZ-CG 3.43Å; F109-F117 VanDerWaalsContact CZ-CG 3.43Å; F109-F117 HydrophobicContact CZ-CZ 4.32Å
110K95.7Very high97.7Very high146 Ų14643 Ų4364%0.63522%0.222SC*.THydrogen-bonded Turntrans-65.9-21.8-176.2-67-175.4178.2179.50114.3Y24 T108Y24-K110 PolarHBondContact OH-N 2.84Å; T108-K110 HydrophobicContact CG2-CG 4.48Å
111K96.1Very high97.9Very high100 Ų10036.2 Ų36.244%0.43519%0.191SC..THydrogen-bonded Turntrans-98.917.9178.1-57.1-177.6-72174.60113.2Y24 D25 F109 A178Y24-K111 WeakPolarHBondContact OH-CA 3.17Å; Y24-K111 WeakPolarHBondContact OH-CB 3.28Å; Y24-K111 PolarHBondContact OH-N 3.32Å; D25-K111 WeakPolarHBondContact O-CE 3.3Å; D25-K111 PolarHBondContact O-NZ 2.83Å; F109-K111 PolarHBondContact O-N 2.81Å; K111-A178 HydrophobicContact CB-CB 4.04Å; K111-A178 WeakPolarHBondContact O-CB 3.25Å
112G96.2Very high98Very high27 Ų2737.5 Ų37.528%0.27819%0.188SC..SBendtrans77.3-174.4-171.800000112.9Y24 F109 H176Y24-G112 WeakPolarHBondContact CE2-O 3.38Å; Y24-G112 PolarHBondContact OH-O 3.41Å; F109-G112 WeakPolarHBondContact CB-O 3.28Å; F109-G112 PolarHBondContact O-N 2.66Å; G112-H176 VanDerWaalsContact C-CE1 3.48Å
113G97.2Very high98Very high3 Ų336.4 Ų36.43%0.03118%0.183CC..  trans89-0.4-178.200000115.4I115 E116 F117 H176 F179G113-I115 VanDerWaalsContact C-N 3.33Å; G113-I115 PolarHBondContact O-N 3.17Å; G113-E116 VanDerWaalsContact CA-OE2 3.25Å; G113-E116 WeakPolarHBondContact CA-OE2 3.29Å; G113-E116 PolarHBondContact O-N 3.01Å; G113-F117 WeakPolarHBondContact O-CB 3.28Å; G113-F117 PolarHBondContact O-N 3.06Å; G113-H176 PolarHBondContact N-CE1 3.05Å; G113-H176 PolarHBondContact N-NE2 3.22Å; G113-F179 WeakPolarHBondContact O-CZ 3.23Å
114A98.5Very high98Very high2 Ų236.3 Ų36.32%0.01718%0.182CC..Hα-helixtrans-62.6-37.9-177.300000113.1N85 V87 F109 G118N85-A114 HydrophobicContact CB-CB 3.52Å; V87-A114 WeakPolarHBondContact CG2-O 3.48Å; F109-A114 HydrophobicContact CB-CB 3.99Å; F109-A114 HydrophobicContact CD2-CB 3.66Å; F109-A114 HydrophobicContact CE2-CB 4.45Å; F109-A114 HydrophobicContact CG-CB 4Å; A114-G118 PolarHBondContact O-N 2.83Å
115I98.2Very high97.9Very high64 Ų6430.2 Ų30.233%0.32816%0.159SC..Hα-helixtrans-71.2-47.5-177.7-57.9171.9000109.1G113 G118 T119G113-I115 VanDerWaalsContact C-N 3.33Å; G113-I115 PolarHBondContact O-N 3.17Å; I115-G118 PolarHBondContact O-N 3.31Å; I115-T119 HydrophobicContact CG2-CG2 4.29Å; I115-T119 WeakPolarHBondContact O-CB 3.26Å; I115-T119 VanDerWaalsContact O-CG2 3.29Å; I115-T119 WeakPolarHBondContact O-CG2 3.45Å; I115-T119 PolarHBondContact O-N 2.93Å; I115-T119 PolarHBondContact O-OG1 2.94Å
116E97.9Very high97.7Very high45 Ų4538.4 Ų38.421%0.2119%0.19CC..Hα-helixtrans-63.6-44.1179.2-6373.9-16500110.6G113 T119 T120 R174 H176 F179G113-E116 VanDerWaalsContact CA-OE2 3.25Å; G113-E116 WeakPolarHBondContact CA-OE2 3.29Å; G113-E116 PolarHBondContact O-N 3.01Å; E116-T119 PolarHBondContact O-OG1 3.11Å; E116-T120 WeakPolarHBondContact O-CB 3.35Å; E116-T120 PolarHBondContact O-N 3.01Å; E116-T120 PolarHBondContact O-OG1 3.12Å; E116-R174 HydrophobicContact CB-CB 4.4Å; E116-R174 HydrophobicContact CG-CB 4.09Å; E116-H176 HydrophobicContact CG-CB 4.31Å; E116-H176 IonicContact OE1-CD2 3.56Å; E116-H176 IonicContact OE2-CD2 2.82Å; E116-F179 HydrophobicContact CB-CE2 3.62Å; E116-F179 HydrophobicContact CB-CZ 3.79Å
117F98.6Very high97.6Very high0 Ų040.9 Ų40.90%020%0.197CC..Hα-helixtrans-63.7-49.2176-173.6-81.7000111I22 L44 L46 V51 V87 L107 F109 G113 T120 L121 F179I22-F117 HydrophobicContact CD1-CD2 4.38Å; I22-F117 HydrophobicContact CG2-CD2 4.3Å; L44-F117 HydrophobicContact CB-CE2 4.43Å; L44-F117 HydrophobicContact CD1-CE2 4.25Å; L44-F117 HydrophobicContact CD1-CZ 4.06Å; L46-F117 HydrophobicContact CB-CE2 3.84Å; L46-F117 HydrophobicContact CB-CZ 4.25Å; L46-F117 HydrophobicContact CD1-CZ 4.28Å; L46-F117 HydrophobicContact CD2-CD2 4.45Å; L46-F117 HydrophobicContact CD2-CE2 4.31Å; L46-F117 HydrophobicContact CG-CE2 4.5Å; V51-F117 HydrophobicContact CG1-CZ 4.1Å; V51-F117 HydrophobicContact CG2-CE1 4.32Å; V51-F117 HydrophobicContact CG2-CZ 3.98Å; V87-F117 HydrophobicContact CG2-CD1 4.25Å; L107-F117 HydrophobicContact CD1-CE1 3.73Å; L107-F117 HydrophobicContact CD1-CZ 4.22Å; F109-F117 HydrophobicContact CE1-CB 3.92Å; F109-F117 HydrophobicContact CE1-CD1 4.22Å; F109-F117 AromaticContact CE1-CD2 3.83Å; F109-F117 HydrophobicContact CE1-CD2 3.83Å; F109-F117 HydrophobicContact CE1-CE2 4.39Å; F109-F117 AromaticContact CE1-CG 3.72Å; F109-F117 HydrophobicContact CE1-CG 3.72Å; F109-F117 HydrophobicContact CE2-CD1 4.19Å; F109-F117 HydrophobicContact CE2-CG 4.4Å; F109-F117 HydrophobicContact CZ-CB 3.84Å; F109-F117 AromaticContact CZ-CD1 3.45Å; F109-F117 HydrophobicContact CZ-CD1 3.45Å; F109-F117 VanDerWaalsContact CZ-CD1 3.45Å; F109-F117 AromaticContact CZ-CD2 3.88Å; F109-F117 HydrophobicContact CZ-CD2 3.88Å; F109-F117 AromaticContact CZ-CE1 3.92Å; F109-F117 HydrophobicContact CZ-CE1 3.92Å; F109-F117 HydrophobicContact CZ-CE2 4.3Å; F109-F117 AromaticContact CZ-CG 3.43Å; F109-F117 HydrophobicContact CZ-CG 3.43Å; F109-F117 VanDerWaalsContact CZ-CG 3.43Å; F109-F117 HydrophobicContact CZ-CZ 4.32Å; G113-F117 WeakPolarHBondContact O-CB 3.28Å; G113-F117 PolarHBondContact O-N 3.06Å; F117-T120 PolarHBondContact O-N 2.86Å; F117-L121 HydrophobicContact CE1-CB 4.45Å; F117-L121 HydrophobicContact CE1-CD2 4.08Å; F117-L121 VanDerWaalsContact O-CB 3.28Å; F117-L121 WeakPolarHBondContact O-CB 3.46Å; F117-L121 PolarHBondContact O-N 2.94Å; F117-F179 HydrophobicContact CB-CE1 4.36Å; F117-F179 HydrophobicContact CB-CZ 4Å
118G98.6Very high97.3Very high0 Ų040.9 Ų40.90%020%0.197CC..Hα-helixtrans-64.8-45.5-177.200000113A114 I115 T120 L121 I122A114-G118 PolarHBondContact O-N 2.83Å; I115-G118 PolarHBondContact O-N 3.31Å; G118-T120 VanDerWaalsContact C-N 3.35Å; G118-T120 PolarHBondContact O-N 3.47Å; G118-L121 PolarHBondContact O-N 2.92Å; G118-I122 WeakPolarHBondContact O-CD1 3.27Å; G118-I122 VanDerWaalsContact O-CG1 3.26Å; G118-I122 WeakPolarHBondContact O-CG1 3.31Å; G118-I122 PolarHBondContact O-N 3.4Å
119T98.3Very high97Very high62 Ų6242.8 Ų42.838%0.3821%0.211SC..Hα-helixtrans-64.3-40.6176.851.90000111.6I77 I115 E116 I122 E123I77-T119 HydrophobicContact CD1-CG2 3.83Å; I115-T119 HydrophobicContact CG2-CG2 4.29Å; I115-T119 WeakPolarHBondContact O-CB 3.26Å; I115-T119 VanDerWaalsContact O-CG2 3.29Å; I115-T119 WeakPolarHBondContact O-CG2 3.45Å; I115-T119 PolarHBondContact O-N 2.93Å; I115-T119 PolarHBondContact O-OG1 2.94Å; E116-T119 PolarHBondContact O-OG1 3.11Å; T119-I122 PolarHBondContact O-N 3.12Å; T119-E123 PolarHBondContact O-N 3.48Å; T119-E123 VanDerWaalsContact O-N 3.12Å
120T98.2Very high96.7Very high1 Ų146.1 Ų46.11%0.00624%0.235CC..Hα-helixtrans-63.2-45.7174.1-58.20000111.4I22 L46 E116 F117 G118 I122 E123 L124 F172 V173I22-T120 HydrophobicContact CD1-CG2 4.16Å; L46-T120 HydrophobicContact CD2-CG2 3.63Å; E116-T120 WeakPolarHBondContact O-CB 3.35Å; E116-T120 PolarHBondContact O-N 3.01Å; E116-T120 PolarHBondContact O-OG1 3.12Å; F117-T120 PolarHBondContact O-N 2.86Å; G118-T120 VanDerWaalsContact C-N 3.35Å; G118-T120 PolarHBondContact O-N 3.47Å; T120-I122 PolarHBondContact O-N 3.42Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-L124 HydrophobicContact CG2-CD1 3.83Å; T120-L124 HydrophobicContact CG2-CG 4.33Å; T120-L124 WeakPolarHBondContact O-CB 3.05Å; T120-L124 VanDerWaalsContact O-CG 3.29Å; T120-L124 WeakPolarHBondContact O-CG 3.28Å; T120-L124 PolarHBondContact O-N 3.44Å; T120-F172 HydrophobicContact CG2-CD2 4.29Å; T120-F172 HydrophobicContact CG2-CE2 3.84Å; T120-V173 HydrophobicContact CG2-CB 4.31Å; T120-V173 HydrophobicContact CG2-CG1 4.2Å; T120-V173 HydrophobicContact CG2-CG2 3.75Å
121L98.7Very high96.3Very high3 Ų340.6 Ų40.62%0.01622%0.217CC..Hα-helixtrans-59.9-44.6178.3173.559.7000111.7L46 V51 F69 M72 V75 V87 F117 G118 L124 G125L46-L121 HydrophobicContact CD1-CB 4.47Å; L46-L121 HydrophobicContact CD1-CD1 3.9Å; V51-L121 HydrophobicContact CG2-CD1 3.74Å; V51-L121 HydrophobicContact CG2-CD2 4.23Å; F69-L121 HydrophobicContact CD1-CD1 3.41Å; F69-L121 VanDerWaalsContact CD1-CD1 3.41Å; F69-L121 HydrophobicContact CE1-CD1 3.29Å; F69-L121 HydrophobicContact CG-CD1 4.49Å; F69-L121 HydrophobicContact CZ-CD1 4.29Å; M72-L121 HydrophobicContact CE-CD1 4.37Å; M72-L121 HydrophobicContact SD-CD1 3.92Å; M72-L121 HydrophobicContact SD-CD2 4.16Å; M72-L121 HydrophobicContact SD-CG 4.43Å; V75-L121 HydrophobicContact CG1-CD2 3.85Å; V75-L121 HydrophobicContact CG1-CG 4.29Å; V87-L121 HydrophobicContact CG1-CD2 4.13Å; F117-L121 HydrophobicContact CE1-CB 4.45Å; F117-L121 HydrophobicContact CE1-CD2 4.08Å; F117-L121 VanDerWaalsContact O-CB 3.28Å; F117-L121 WeakPolarHBondContact O-CB 3.46Å; F117-L121 PolarHBondContact O-N 2.94Å; G118-L121 PolarHBondContact O-N 2.92Å; L121-L124 PolarHBondContact O-N 3.29Å; L121-G125 PolarHBondContact O-N 2.62Å
122I98.5Very high95.8Very high63 Ų6340.7 Ų40.732%0.32322%0.217SC..Hα-helixtrans-61.7-45.6178.5-70.3163.5000110.4V75 G118 T119 T120 G125 R126V75-I122 HydrophobicContact CB-CG1 4.38Å; V75-I122 HydrophobicContact CG1-CG1 4.05Å; G118-I122 WeakPolarHBondContact O-CD1 3.27Å; G118-I122 VanDerWaalsContact O-CG1 3.26Å; G118-I122 WeakPolarHBondContact O-CG1 3.31Å; G118-I122 PolarHBondContact O-N 3.4Å; T119-I122 PolarHBondContact O-N 3.12Å; T120-I122 PolarHBondContact O-N 3.42Å; I122-G125 PolarHBondContact O-N 3.34Å; I122-R126 WeakPolarHBondContact O-CG 3.46Å; I122-R126 PolarHBondContact O-N 3.42Å
123E97.7Very high95.3Very high63 Ų6347 Ų4729%0.29424%0.239SC..Hα-helixtrans-65.4-44.1178.9177.657.7-168.200112.3T119 T120 G125 R126 R127 F172T119-E123 PolarHBondContact O-N 3.48Å; T119-E123 VanDerWaalsContact O-N 3.12Å; T120-E123 PolarHBondContact O-N 3.31Å; E123-G125 VanDerWaalsContact C-N 3.31Å; E123-G125 PolarHBondContact O-N 2.83Å; E123-R126 PolarHBondContact O-N 3.43Å; E123-R127 WeakPolarHBondContact O-CG 3.42Å; E123-R127 PolarHBondContact O-N 2.91Å; E123-R127 IonicContact OE1-CZ 2.93Å; E123-R127 VanDerWaalsContact OE1-CZ 3.28Å; E123-R127 IonicContact OE1-NE 2.95Å; E123-R127 PolarHBondContact OE1-NE 2.85Å; E123-R127 IonicContact OE1-NH2 2.75Å; E123-R127 PolarHBondContact OE1-NH2 3.33Å; E123-F172 HydrophobicContact CB-CD2 3.79Å; E123-F172 HydrophobicContact CB-CE2 3.77Å; E123-F172 HydrophobicContact CG-CD1 4.17Å; E123-F172 HydrophobicContact CG-CD2 3.46Å; E123-F172 VanDerWaalsContact CG-CD2 3.46Å; E123-F172 HydrophobicContact CG-CE1 4.24Å; E123-F172 HydrophobicContact CG-CE2 3.53Å; E123-F172 HydrophobicContact CG-CG 3.79Å; E123-F172 HydrophobicContact CG-CZ 3.92Å
124L97.1Very high94.6Very high0 Ų053.3 Ų53.30%027%0.268CS..Hα-helixtrans-59.4-43173.7-71.5166.3000111.5L21 L46 F69 T120 L121 R127 A128 Y170 F172 A199L21-L124 HydrophobicContact CD1-CD1 3.7Å; L21-L124 HydrophobicContact CD1-CD2 3.51Å; L21-L124 HydrophobicContact CD1-CG 4.25Å; L46-L124 HydrophobicContact CD1-CD1 3.87Å; L46-L124 HydrophobicContact CD2-CD1 3.66Å; L46-L124 HydrophobicContact CG-CD1 3.67Å; F69-L124 HydrophobicContact CD2-CB 3.99Å; F69-L124 HydrophobicContact CE2-CB 3.56Å; F69-L124 HydrophobicContact CE2-CD1 4.12Å; F69-L124 HydrophobicContact CE2-CG 4.29Å; F69-L124 HydrophobicContact CZ-CB 3.94Å; F69-L124 HydrophobicContact CZ-CD1 3.85Å; F69-L124 HydrophobicContact CZ-CG 4.46Å; T120-L124 HydrophobicContact CG2-CD1 3.83Å; T120-L124 HydrophobicContact CG2-CG 4.33Å; T120-L124 WeakPolarHBondContact O-CB 3.05Å; T120-L124 VanDerWaalsContact O-CG 3.29Å; T120-L124 WeakPolarHBondContact O-CG 3.28Å; T120-L124 PolarHBondContact O-N 3.44Å; L121-L124 PolarHBondContact O-N 3.29Å; L124-R127 PolarHBondContact O-N 2.95Å; L124-A128 WeakPolarHBondContact O-CB 3.39Å; L124-A128 PolarHBondContact O-N 3.32Å; L124-Y170 HydrophobicContact CD2-CD1 4.42Å; L124-Y170 HydrophobicContact CD2-CE1 4.11Å; L124-F172 HydrophobicContact CD2-CE2 4.19Å; L124-F172 HydrophobicContact CD2-CZ 3.65Å; L124-F172 HydrophobicContact CG-CE2 3.95Å; L124-F172 HydrophobicContact CG-CZ 3.92Å; L124-A199 HydrophobicContact CB-CB 4.25Å; L124-A199 HydrophobicContact CD2-CB 3.5Å; L124-A199 VanDerWaalsContact CD2-CB 3.5Å; L124-A199 HydrophobicContact CG-CB 4.48Å
125G97.1Very high94Very high13 Ų1355 Ų5513%0.13428%0.275CS..Hα-helixtrans-62.7-43177.300000112.7L121 I122 E123 R127 A128 C129L121-G125 PolarHBondContact O-N 2.62Å; I122-G125 PolarHBondContact O-N 3.34Å; E123-G125 VanDerWaalsContact C-N 3.31Å; E123-G125 PolarHBondContact O-N 2.83Å; G125-R127 VanDerWaalsContact C-N 3.34Å; G125-R127 PolarHBondContact O-N 3.36Å; G125-A128 PolarHBondContact O-N 3.25Å; G125-C129 VanDerWaalsContact O-CB 3.28Å; G125-C129 WeakPolarHBondContact O-CB 3.32Å; G125-C129 PolarHBondContact O-N 3.09Å; G125-C129 PolarHBondContact O-SG 2.95Å
126R95.8Very high93.2Very high176 Ų17660.4 Ų60.466%0.66430%0.296SS*.Hα-helixtrans-58.9-44.6174.4-71.4-179.570.976.83.1111.8I122 E123 S130I122-R126 WeakPolarHBondContact O-CG 3.46Å; I122-R126 PolarHBondContact O-N 3.42Å; E123-R126 PolarHBondContact O-N 3.43Å; R126-S130 PolarHBondContact O-N 2.84Å
127R94.8Very high92.1Very high65 Ų6562.5 Ų62.525%0.24531%0.313CS..Hα-helixtrans-65.4-46.8178.3-69.5-179.9-172.2-154.55.1112.5E123 L124 G125 C129 S130 A131 Y169 F172 A199E123-R127 WeakPolarHBondContact O-CG 3.42Å; E123-R127 PolarHBondContact O-N 2.91Å; E123-R127 IonicContact OE1-CZ 2.93Å; E123-R127 VanDerWaalsContact OE1-CZ 3.28Å; E123-R127 IonicContact OE1-NE 2.95Å; E123-R127 PolarHBondContact OE1-NE 2.85Å; E123-R127 IonicContact OE1-NH2 2.75Å; E123-R127 PolarHBondContact OE1-NH2 3.33Å; L124-R127 PolarHBondContact O-N 2.95Å; G125-R127 VanDerWaalsContact C-N 3.34Å; G125-R127 PolarHBondContact O-N 3.36Å; R127-C129 VanDerWaalsContact C-N 3.33Å; R127-C129 PolarHBondContact O-N 3.27Å; R127-S130 WeakPolarHBondContact O-CB 3.47Å; R127-S130 PolarHBondContact O-N 3.12Å; R127-A131 PolarHBondContact O-N 2.95Å; R127-Y169 PolarHBondContact NH1-O 2.72Å; R127-F172 VanDerWaalsContact NH1-CE1 3.33Å; R127-A199 HydrophobicContact CB-CB 3.59Å
128A93.5Very high90.9Very high0 Ų064 Ų640%032%0.323CS..Hα-helixtrans-63.1-39.5177.900000112F69 V70 L124 G125 A131 K132F69-A128 HydrophobicContact CB-CB 4.28Å; F69-A128 HydrophobicContact CD2-CB 4.12Å; V70-A128 HydrophobicContact CG1-CB 4.02Å; L124-A128 WeakPolarHBondContact O-CB 3.39Å; L124-A128 PolarHBondContact O-N 3.32Å; G125-A128 PolarHBondContact O-N 3.25Å; A128-A131 PolarHBondContact O-N 3.25Å; A128-K132 PolarHBondContact O-N 3.34Å; A128-K132 VanDerWaalsContact O-N 3.13Å
129C92.2Very high89.5Confident60 Ų6070.5 Ų70.541%0.40536%0.358SS..Hα-helixtrans-65.9-35.7174.5-74.40000112.8G125 R127 K132G125-C129 VanDerWaalsContact O-CB 3.28Å; G125-C129 WeakPolarHBondContact O-CB 3.32Å; G125-C129 PolarHBondContact O-N 3.09Å; G125-C129 PolarHBondContact O-SG 2.95Å; R127-C129 VanDerWaalsContact C-N 3.33Å; R127-C129 PolarHBondContact O-N 3.27Å; C129-K132 WeakPolarHBondContact O-CB 3.29Å; C129-K132 PolarHBondContact O-N 2.95Å
130S91.4Very high87.8Confident75 Ų7572.6 Ų72.652%0.52438%0.382SS..Hα-helixtrans-65.3-42171.7-1730000111.5R126 R127 K132 Q133R126-S130 PolarHBondContact O-N 2.84Å; R127-S130 WeakPolarHBondContact O-CB 3.47Å; R127-S130 PolarHBondContact O-N 3.12Å; S130-K132 PolarHBondContact O-N 2.86Å; S130-Q133 PolarHBondContact O-N 3.11Å
131A88.9Confident85.9Confident31 Ų3177 Ų7726%0.25640%0.399SS..Hα-helixtrans-65.6-22.8178.800000113.8R127 A128 Q133 H134 F135 P197R127-A131 PolarHBondContact O-N 2.95Å; A128-A131 PolarHBondContact O-N 3.25Å; A131-Q133 PolarHBondContact O-N 2.8Å; A131-Q133 VanDerWaalsContact O-N 3.09Å; A131-H134 PolarHBondContact O-N 3.17Å; A131-H134 VanDerWaalsContact O-N 3.1Å; A131-F135 PolarHBondContact O-N 3.25Å; A131-P197 HydrophobicContact CB-CB 4.05Å
132K85.6Confident83.7Confident102 Ų10282.5 Ų82.544%0.44343%0.428SS..THydrogen-bonded Turntrans-51.8-32.7176.4-85.8-179.6140.5170.80113.9V70 A128 C129 S130 H134 F135 P197V70-K132 HydrophobicContact CB-CD 4.09Å; V70-K132 VanDerWaalsContact CB-CE 3.45Å; V70-K132 HydrophobicContact CG1-CD 3.88Å; V70-K132 HydrophobicContact CG1-CG 3.97Å; V70-K132 PolarHBondContact O-NZ 3.22Å; A128-K132 PolarHBondContact O-N 3.34Å; A128-K132 VanDerWaalsContact O-N 3.13Å; C129-K132 WeakPolarHBondContact O-CB 3.29Å; C129-K132 PolarHBondContact O-N 2.95Å; S130-K132 PolarHBondContact O-N 2.86Å; K132-H134 PolarHBondContact O-N 3.44Å; K132-F135 PolarHBondContact O-N 2.91Å; K132-P197 HydrophobicContact CB-CG 4.22Å; K132-P197 HydrophobicContact CG-CG 3.42Å; K132-P197 VanDerWaalsContact CG-CG 3.42Å
133Q84.1Confident81.4Confident159 Ų15980.8 Ų80.874%0.74342%0.421SS*.THydrogen-bonded Turntrans-65.1-26.8-177.2-63.5-178.7-8.400113.3S130 A131S130-Q133 PolarHBondContact O-N 3.11Å; A131-Q133 PolarHBondContact O-N 2.8Å; A131-Q133 VanDerWaalsContact O-N 3.09Å
134H83.4Confident79.3Confident136 Ų13678.2 Ų78.263%0.6341%0.409SS*.THydrogen-bonded Turntrans-112.3-1-177.1-57.395.4000112.6A131 K132 N206A131-H134 PolarHBondContact O-N 3.17Å; A131-H134 VanDerWaalsContact O-N 3.1Å; K132-H134 PolarHBondContact O-N 3.44Å; H134-N206 PolarHBondContact O-OD1 3.45Å
135F85.6Confident77.2Confident37 Ų3780.4 Ų80.416%0.16243%0.427CS..  trans-76.6126.4-175.7-178.5-106.9000111.1A131 K132 P137 P195 P197A131-F135 PolarHBondContact O-N 3.25Å; K132-F135 PolarHBondContact O-N 2.91Å; F135-P137 HydrophobicContact CD1-CB 4.45Å; F135-P137 VanDerWaalsContact CE1-CA 3.41Å; F135-P137 HydrophobicContact CE1-CB 3.79Å; F135-P195 WeakPolarHBondContact CE1-O 3.44Å; F135-P197 HydrophobicContact CB-CB 3.88Å; F135-P197 HydrophobicContact CB-CG 4.1Å; F135-P197 HydrophobicContact CD1-CB 4.43Å; F135-P197 HydrophobicContact CD1-CG 4.28Å; F135-P197 HydrophobicContact CD2-CB 3.66Å; F135-P197 HydrophobicContact CD2-CG 4.37Å; F135-P197 HydrophobicContact CE2-CB 4.3Å; F135-P197 HydrophobicContact CG-CB 3.73Å; F135-P197 HydrophobicContact CG-CG 3.99Å
136K81.6Confident74.9Confident178 Ų17884.5 Ų84.577%0.77445%0.447SS*.  trans-101.6110.6167.5-67.6-176.2-179.4179.80108
137P75.4Confident72.6Confident89 Ų8980.5 Ų80.558%0.57844%0.437SS*.PPolyproline II helixtrans-59.8140.7176.325.3-32.3000109.1F135F135-P137 HydrophobicContact CD1-CB 4.45Å; F135-P137 VanDerWaalsContact CE1-CA 3.41Å; F135-P137 HydrophobicContact CE1-CB 3.79Å
138P73.5Confident70.4Confident31 Ų3178.8 Ų78.820%0.20143%0.432CS..PPolyproline II helixtrans-62165.8170.431.5-36.9000109.8A140 Y141 P193P138-A140 PolarHBondContact O-N 2.96Å; P138-Y141 HydrophobicContact CB-CE2 3.55Å; P138-Y141 HydrophobicContact CG-CD2 4.38Å; P138-Y141 HydrophobicContact CG-CE2 3.76Å; P138-P193 HydrophobicContact CB-CG 3.87Å; P138-P193 HydrophobicContact CG-CG 4.09Å
139N69Low68.1Low136 Ų13682.4 Ų82.473%0.72747%0.469SS*.SBendtrans-51.6135.4172.6-73-18.5000109.5Y141N139-Y141 WeakPolarHBondContact O-CD1 3.1Å; N139-Y141 WeakPolarHBondContact O-CD2 3.46Å; N139-Y141 VanDerWaalsContact O-CE2 3.23Å; N139-Y141 WeakPolarHBondContact O-CE2 3.44Å; N139-Y141 PolarHBondContact O-N 2.6Å
140A62.2Low65.7Low107 Ų10782.2 Ų82.288%0.88447%0.472SS*.PPolyproline II helixtrans-55.7119.3-176.300000109.6P138P138-A140 PolarHBondContact O-N 2.96Å
141Y57.1Low63.8Low93 Ų9380.2 Ų80.237%0.36546%0.463SS..PPolyproline II helixtrans-100.8144.9173.5-50.7-68.5000109.4P138 N139 S143 M147P138-Y141 HydrophobicContact CB-CE2 3.55Å; P138-Y141 HydrophobicContact CG-CD2 4.38Å; P138-Y141 HydrophobicContact CG-CE2 3.76Å; N139-Y141 WeakPolarHBondContact O-CD1 3.1Å; N139-Y141 WeakPolarHBondContact O-CD2 3.46Å; N139-Y141 VanDerWaalsContact O-CE2 3.23Å; N139-Y141 WeakPolarHBondContact O-CE2 3.44Å; N139-Y141 PolarHBondContact O-N 2.6Å; Y141-S143 PolarHBondContact O-N 3.07Å; Y141-S143 VanDerWaalsContact O-N 3.17Å; Y141-M147 HydrophobicContact CD1-CE 3.72Å; Y141-M147 HydrophobicContact CD1-CG 4.02Å; Y141-M147 HydrophobicContact CD1-SD 3.28Å; Y141-M147 WeakPolarHBondContact CD1-SD 3.39Å; Y141-M147 HydrophobicContact CD2-CG 4.46Å; Y141-M147 HydrophobicContact CE1-SD 3.96Å; Y141-M147 HydrophobicContact CG-CE 4.25Å; Y141-M147 HydrophobicContact CG-CG 3.72Å; Y141-M147 HydrophobicContact CG-SD 3.66Å
142L53.7Low62.7Low119 Ų11983.1 Ų83.162%0.62347%0.472SS*.SBendtrans-62.7114.5158.2-56.5175.3000104.8D146 M147L142-D146 HydrophobicContact CB-CB 3.45Å; L142-D146 VanDerWaalsContact CB-CB 3.45Å; L142-D146 VanDerWaalsContact O-CB 3.3Å; L142-D146 WeakPolarHBondContact O-CB 3.48Å; L142-M147 PolarHBondContact O-N 3.29Å
143S50.3Low62.2Low26 Ų2679.9 Ų79.918%0.18246%0.457CS..THydrogen-bonded Turntrans17159.3173.977.90000121.7Y141 A145 D146 M147Y141-S143 PolarHBondContact O-N 3.07Å; Y141-S143 VanDerWaalsContact O-N 3.17Å; S143-A145 PolarHBondContact O-N 3.23Å; S143-A145 PolarHBondContact OG-N 2.77Å; S143-D146 PolarHBondContact O-N 2.88Å; S143-D146 PolarHBondContact OG-N 3.05Å; S143-D146 VanDerWaalsContact OG-N 3.15Å; S143-M147 PolarHBondContact O-N 3.49Å
144V53.2Low61.9Low9 Ų974 Ų746%0.05543%0.428CS..THydrogen-bonded Turntrans-51.4-31.9169.3-177.70000112.1Q3 V13 F15 N148 V190Q3-V144 HydrophobicContact CB-CB 4.43Å; Q3-V144 WeakPolarHBondContact O-CB 3.43Å; Q3-V144 WeakPolarHBondContact O-CG1 3.5Å; V13-V144 HydrophobicContact CG1-CG1 4.06Å; F15-V144 HydrophobicContact CD1-CG2 4.22Å; F15-V144 HydrophobicContact CE1-CG2 3.33Å; F15-V144 HydrophobicContact CE2-CG2 3.81Å; F15-V144 HydrophobicContact CZ-CG2 3.07Å; V144-N148 PolarHBondContact O-N 3.14Å; V144-N148 PolarHBondContact O-ND2 2.89Å; V144-V190 HydrophobicContact CG1-CG1 4.12Å; V144-V190 HydrophobicContact CG1-CG2 4.29Å
145A52.7Low61.8Low46 Ų4668.4 Ų68.438%0.3841%0.406SS..THydrogen-bonded Turntrans-77.5-26.518000000114.5Q3 S143 N148Q3-A145 HydrophobicContact CG-CB 4.14Å; S143-A145 PolarHBondContact O-N 3.23Å; S143-A145 PolarHBondContact OG-N 2.77Å; A145-N148 WeakPolarHBondContact O-CB 3.42Å
146D48.5Very low61.5Low100 Ų10067.1 Ų67.154%0.53540%0.401SS..THydrogen-bonded Turntrans-94.9-30.4177.8-80.9-43.2000112.4L142 S143 N148 G149L142-D146 HydrophobicContact CB-CB 3.45Å; L142-D146 VanDerWaalsContact CB-CB 3.45Å; L142-D146 VanDerWaalsContact O-CB 3.3Å; L142-D146 WeakPolarHBondContact O-CB 3.48Å; S143-D146 PolarHBondContact O-N 2.88Å; S143-D146 PolarHBondContact OG-N 3.05Å; S143-D146 VanDerWaalsContact OG-N 3.15Å; D146-N148 CarbonylContact O-C 3.44Å; D146-N148 PolarHBondContact O-N 3.42Å; D146-G149 PolarHBondContact O-N 3.29Å; D146-G149 VanDerWaalsContact O-N 3.12Å
147M47.8Very low60.8Low92 Ų9261.1 Ų61.145%0.45338%0.38SS..SBendtrans-63.2-18.8164.2-80.6-71.4108.300112.5Y141 L142 S143 G149Y141-M147 HydrophobicContact CD1-CE 3.72Å; Y141-M147 HydrophobicContact CD1-CG 4.02Å; Y141-M147 HydrophobicContact CD1-SD 3.28Å; Y141-M147 WeakPolarHBondContact CD1-SD 3.39Å; Y141-M147 HydrophobicContact CD2-CG 4.46Å; Y141-M147 HydrophobicContact CE1-SD 3.96Å; Y141-M147 HydrophobicContact CG-CE 4.25Å; Y141-M147 HydrophobicContact CG-CG 3.72Å; Y141-M147 HydrophobicContact CG-SD 3.66Å; L142-M147 PolarHBondContact O-N 3.29Å; S143-M147 PolarHBondContact O-N 3.49Å; M147-G149 PolarHBondContact O-N 2.74Å
148N48.2Very low60.2Low28 Ų2859.5 Ų59.515%0.1537%0.37CS..  trans-70.756.1156.1-89.8-24.4000110.2V144 A145 D146 A150 G151 Q152V144-N148 PolarHBondContact O-N 3.14Å; V144-N148 PolarHBondContact O-ND2 2.89Å; A145-N148 WeakPolarHBondContact O-CB 3.42Å; D146-N148 CarbonylContact O-C 3.44Å; D146-N148 PolarHBondContact O-N 3.42Å; N148-A150 CarbonylContact O-C 3.51Å; N148-A150 WeakPolarHBondContact O-CA 3.49Å; N148-A150 PolarHBondContact O-N 2.93Å; N148-G151 PolarHBondContact O-N 3.06Å; N148-Q152 PolarHBondContact OD1-N 3.29Å
149G44.8Very low59.9Low76 Ų7662.7 Ų62.778%0.78439%0.391SS*.THydrogen-bonded Turntrans-53.9-5.817500000114.5D146 M147D146-G149 PolarHBondContact O-N 3.29Å; D146-G149 VanDerWaalsContact O-N 3.12Å; M147-G149 PolarHBondContact O-N 2.74Å
150A43.4Very low60.2Low56 Ų5657.8 Ų57.846%0.46337%0.369SS..THydrogen-bonded Turntrans-153.842.315700000112.8N148 Q152N148-A150 CarbonylContact O-C 3.51Å; N148-A150 WeakPolarHBondContact O-CA 3.49Å; N148-A150 PolarHBondContact O-N 2.93Å; A150-Q152 HydrophobicContact CB-CG 4.09Å; A150-Q152 WeakPolarHBondContact O-CG 3.48Å; A150-Q152 PolarHBondContact O-N 3.13Å
151G51.2Low60.9Low33 Ų3354.7 Ų54.734%0.3433%0.334SS..  trans60.723.5177.200000114.8N148 Y153N148-G151 PolarHBondContact O-N 3.06Å; G151-Y153 PolarHBondContact O-N 3.29Å; G151-Y153 VanDerWaalsContact O-N 3.09Å
152Q65Low61.8Low93 Ų9353 Ų5344%0.43534%0.336SS..  trans-87.877.2-171.5-58.5-167.53000111.2N148 A150 Y154N148-Q152 PolarHBondContact OD1-N 3.29Å; A150-Q152 HydrophobicContact CB-CG 4.09Å; A150-Q152 WeakPolarHBondContact O-CG 3.48Å; A150-Q152 PolarHBondContact O-N 3.13Å; Q152-Y154 PolarHBondContact OE1-OH 3.27Å
153Y74.5Confident62.9Low33 Ų3348.2 Ų48.213%0.12931%0.314CS..  trans-92.3148158.755-105000109.6A7 V13 G151 Y188 Q189A7-Y153 WeakPolarHBondContact CB-OH 3.23Å; A7-Y153 PolarHBondContact N-OH 3.06Å; V13-Y153 HydrophobicContact CG2-CD1 3.82Å; V13-Y153 HydrophobicContact CG2-CE1 4.34Å; V13-Y153 HydrophobicContact CG2-CG 3.96Å; G151-Y153 PolarHBondContact O-N 3.29Å; G151-Y153 VanDerWaalsContact O-N 3.09Å; Y153-Y188 AromaticContact CD2-CD1 3.36Å; Y153-Y188 HydrophobicContact CD2-CD1 3.36Å; Y153-Y188 HydrophobicContact CD2-CD2 4.07Å; Y153-Y188 AromaticContact CD2-CE1 3.99Å; Y153-Y188 HydrophobicContact CD2-CE1 3.99Å; Y153-Y188 AromaticContact CD2-CG 3.38Å; Y153-Y188 HydrophobicContact CD2-CG 3.38Å; Y153-Y188 AromaticContact CE2-CD1 3.63Å; Y153-Y188 HydrophobicContact CE2-CD1 3.63Å; Y153-Y188 HydrophobicContact CE2-CD2 4.05Å; Y153-Y188 AromaticContact CE2-CE1 3.77Å; Y153-Y188 HydrophobicContact CE2-CE1 3.77Å; Y153-Y188 HydrophobicContact CE2-CE2 4.17Å; Y153-Y188 AromaticContact CE2-CG 3.76Å; Y153-Y188 HydrophobicContact CE2-CG 3.76Å; Y153-Y188 HydrophobicContact CG-CG 4.28Å; Y153-Q189 WeakPolarHBondContact CA-O 3.29Å
154Y79Confident64.3Low35 Ų3548.2 Ų48.214%0.13731%0.314CS..EExtended strand (participates in β ladder)trans-111.5147.5-177.4-52.4-86.8000109.7Q152 C156 Y188 Q189 R191 Y216Q152-Y154 PolarHBondContact OE1-OH 3.27Å; Y154-C156 PolarHBondContact O-N 3.27Å; Y154-Y188 CarbonylContact O-C 3.53Å; Y154-Y188 WeakPolarHBondContact O-CA 3.47Å; Y154-Y188 WeakPolarHBondContact O-CB 3.28Å; Y154-Q189 PolarHBondContact N-O 3.46Å; Y154-Q189 PolarHBondContact O-N 2.99Å; Y154-R191 HydrophobicContact CE2-CG 3.89Å; Y154-Y216 HydrophobicContact CD1-CG 4.48Å; Y154-Y216 HydrophobicContact CE1-CG 4.47Å
155A82.1Confident65.5Low20 Ų2052.2 Ų52.217%0.16533%0.328CS..EExtended strand (participates in β ladder)trans-58.9132171.900000110.1
156C79.1Confident66.8Low9 Ų957.9 Ų57.96%0.06135%0.352CS..PPolyproline II helixtrans-69.8135173.4-69.20000109.9Y154 A160 L187Y154-C156 PolarHBondContact O-N 3.27Å; C156-A160 HydrophobicContact CB-CB 3.53Å; C156-L187 HydrophobicContact CB-CB 4.28Å; C156-L187 HydrophobicContact CB-CD2 4.15Å; C156-L187 HydrophobicContact CB-CG 3.91Å; C156-L187 PolarHBondContact N-O 2.88Å
157P66.5Low68.7Low52 Ų5254.8 Ų54.834%0.33834%0.335SS..PPolyproline II helixtrans-68.5146.7178.929.1-34.5000110.7A160P157-A160 WeakPolarHBondContact O-CB 3.38Å; P157-A160 PolarHBondContact O-N 3.45Å
158P61.4Low70.6Confident56 Ų5656.2 Ų56.236%0.36435%0.352SS..THydrogen-bonded Turntrans-54.2145.6164.4-23.734.5000111.2Y271P158-Y271 HydrophobicContact CG-CE1 4.47Å
159P68Low72.6Confident98 Ų9858 Ų5864%0.63636%0.357SS*.THydrogen-bonded Turncis-9239.74.438.6-37.2000113.9Y161 S162P159-Y161 PolarHBondContact O-N 3.2Å; P159-S162 PolarHBondContact O-N 3.01Å; P159-S162 PolarHBondContact O-OG 2.95Å
160A74.7Confident74.9Confident32 Ų3254.4 Ų54.426%0.26432%0.319SS..THydrogen-bonded Turntrans-57.6-18.8-177.800000115C156 P157 L187C156-A160 HydrophobicContact CB-CB 3.53Å; P157-A160 WeakPolarHBondContact O-CB 3.38Å; P157-A160 PolarHBondContact O-N 3.45Å; A160-L187 VanDerWaalsContact C-CD2 3.45Å; A160-L187 HydrophobicContact CB-CD2 3.59Å; A160-L187 WeakPolarHBondContact O-CD2 3.46Å
161Y77.2Confident77.2Confident42 Ų4254.7 Ų54.717%0.16533%0.328CS..THydrogen-bonded Turntrans-82.8-14.6-179.6-66.9-97.7000114.1M20 P159 P182 Q183 E185 T186 L187M20-Y161 VanDerWaalsContact CE-O 3.23Å; M20-Y161 WeakPolarHBondContact CE-O 3.19Å; P159-Y161 PolarHBondContact O-N 3.2Å; Y161-P182 HydrophobicContact CD1-CB 4.15Å; Y161-P182 HydrophobicContact CD1-CG 4.47Å; Y161-P182 VanDerWaalsContact O-CD 3.28Å; Y161-P182 WeakPolarHBondContact O-CD 3.46Å; Y161-Q183 VanDerWaalsContact CE1-O 3.31Å; Y161-Q183 WeakPolarHBondContact CE1-O 3.12Å; Y161-E185 WeakPolarHBondContact OH-CA 2.97Å; Y161-E185 PolarHBondContact OH-N 2.88Å; Y161-E185 VanDerWaalsContact OH-N 3.13Å; Y161-T186 PolarHBondContact OH-N 3.03Å; Y161-L187 HydrophobicContact CD1-CB 4.29Å; Y161-L187 HydrophobicContact CE1-CB 3.71Å; Y161-L187 HydrophobicContact CE2-CB 4.23Å; Y161-L187 PolarHBondContact OH-N 3.31Å
162S76.5Confident79.3Confident57 Ų5755.2 Ų55.240%0.39932%0.321SS..SBendtrans-101.9141.7178.357.70000111.6P159P159-S162 PolarHBondContact O-N 3.01Å; P159-S162 PolarHBondContact O-OG 2.95Å
163A75.9Confident80.7Confident19 Ų1951.2 Ų51.216%0.15730%0.303CS..  trans-58.9140.5170.300000110.6L21 Y165L21-A163 WeakPolarHBondContact O-CB 3.23Å; A163-Y165 HydrophobicContact CB-CD1 4.33Å; A163-Y165 HydrophobicContact CB-CD2 3.95Å; A163-Y165 HydrophobicContact CB-CE1 3.93Å; A163-Y165 HydrophobicContact CB-CE2 3.53Å; A163-Y165 HydrophobicContact CB-CG 4.33Å; A163-Y165 VanDerWaalsContact CB-CZ 3.49Å; A163-Y165 PolarHBondContact O-N 3.4Å
164P81.1Confident81.6Confident27 Ų2757.7 Ų57.718%0.17533%0.327CS..  trans-80.655.7-175.234.8-37.4000111.9L21 N166 D167 Y170L21-P164 HydrophobicContact CD2-CG 3.5Å; P164-N166 PolarHBondContact O-N 3.29Å; P164-D167 HydrophobicContact CB-CB 3.88Å; P164-D167 VanDerWaalsContact O-CB 3.26Å; P164-D167 WeakPolarHBondContact O-CB 3.43Å; P164-D167 PolarHBondContact O-N 3.45Å; P164-Y170 HydrophobicContact CB-CD2 4.12Å; P164-Y170 HydrophobicContact CG-CD2 3.44Å; P164-Y170 VanDerWaalsContact CG-CD2 3.44Å; P164-Y170 HydrophobicContact CG-CE2 4.02Å; P164-Y170 HydrophobicContact CG-CG 4.19Å
165Y77.8Confident82.2Confident92 Ų9260.4 Ų60.436%0.36135%0.349SS..THydrogen-bonded Turntrans-62.6-23.7-176.7-65.6-52.8000114A163 D167 V173 P175A163-Y165 HydrophobicContact CB-CD1 4.33Å; A163-Y165 HydrophobicContact CB-CD2 3.95Å; A163-Y165 HydrophobicContact CB-CE1 3.93Å; A163-Y165 HydrophobicContact CB-CE2 3.53Å; A163-Y165 HydrophobicContact CB-CG 4.33Å; A163-Y165 VanDerWaalsContact CB-CZ 3.49Å; A163-Y165 PolarHBondContact O-N 3.4Å; Y165-D167 VanDerWaalsContact C-N 3.34Å; Y165-V173 HydrophobicContact CE1-CG1 4.09Å; Y165-P175 HydrophobicContact CE1-CB 4.15Å; Y165-P175 HydrophobicContact CE2-CB 4.39Å
166N80.6Confident82.8Confident166 Ų16661.6 Ų61.689%0.88835%0.351SS*.THydrogen-bonded Turntrans-88.51.1175.5-64.3-23000113.1P164 P168P164-N166 PolarHBondContact O-N 3.29Å; N166-P168 WeakPolarHBondContact O-CD 3.49Å
167D87.4Confident83.7Confident34 Ų3469.5 Ų69.518%0.18239%0.388CS..  trans-87.2113.5176.5-172.4-31.9000109.8R19 P164 Y165 Y169 Y170 G171R19-D167 IonicContact CZ-OD2 3.18Å; R19-D167 IonicContact NH1-OD2 3.61Å; R19-D167 PolarHBondContact NH1-OD2 3.46Å; R19-D167 IonicContact NH2-OD2 2.7Å; R19-D167 PolarHBondContact NH2-OD2 3.09Å; P164-D167 HydrophobicContact CB-CB 3.88Å; P164-D167 VanDerWaalsContact O-CB 3.26Å; P164-D167 WeakPolarHBondContact O-CB 3.43Å; P164-D167 PolarHBondContact O-N 3.45Å; Y165-D167 VanDerWaalsContact C-N 3.34Å; D167-Y169 PolarHBondContact O-N 3.13Å; D167-Y169 VanDerWaalsContact O-N 3.08Å; D167-Y169 WeakPolarHBondContact OD1-CB 3.2Å; D167-Y169 PolarHBondContact OD1-N 2.89Å; D167-Y170 HydrophobicContact CB-CD2 4.25Å; D167-Y170 CarbonylContact O-C 3.56Å; D167-Y170 PolarHBondContact O-N 3.06Å; D167-G171 PolarHBondContact O-N 2.79Å
168P88.4Confident85.1Confident122 Ų12267.4 Ų67.479%0.79237%0.374SS*.G310 helixtrans-57.3-28-178.8-24.734.8000113.5N166 Y170 G171N166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-Y170 VanDerWaalsContact C-N 3.3Å; P168-Y170 PolarHBondContact O-N 3.35Å; P168-G171 PolarHBondContact O-N 3.36Å
169Y90.6Very high86.7Confident65 Ų6565.6 Ų65.626%0.25536%0.361SS..G310 helixtrans-65.4-35.8178.3-175.1-90.5000111.7R127 D167 F172 A199 T200 P201R127-Y169 PolarHBondContact NH1-O 2.72Å; D167-Y169 PolarHBondContact O-N 3.13Å; D167-Y169 VanDerWaalsContact O-N 3.08Å; D167-Y169 WeakPolarHBondContact OD1-CB 3.2Å; D167-Y169 PolarHBondContact OD1-N 2.89Å; Y169-F172 WeakPolarHBondContact O-CE1 3.42Å; Y169-A199 VanDerWaalsContact CE1-O 3.3Å; Y169-A199 WeakPolarHBondContact CE1-O 3.36Å; Y169-T200 VanDerWaalsContact OH-C 3.29Å; Y169-T200 PolarHBondContact OH-N 2.96Å; Y169-T200 PolarHBondContact OH-O 2.75Å; Y169-P201 HydrophobicContact CD1-CG 4.13Å; Y169-P201 HydrophobicContact CD2-CB 4.24Å; Y169-P201 HydrophobicContact CD2-CG 3.86Å; Y169-P201 HydrophobicContact CE2-CB 4.44Å; Y169-P201 HydrophobicContact CE2-CG 4.29Å; Y169-P201 HydrophobicContact CG-CG 3.77Å
170Y92.8Very high87.9Confident1 Ų164.1 Ų64.10%0.00435%0.35CS..G310 helixtrans-100.519.5179-62.4-57.5000113.8R19 L21 S48 L124 P164 D167 P168 F172 V173 A199R19-Y170 VanDerWaalsContact CZ-CE2 3.44Å; L21-Y170 HydrophobicContact CD1-CD1 4Å; L21-Y170 HydrophobicContact CD1-CE1 3.76Å; L21-Y170 HydrophobicContact CD2-CD1 4.12Å; L21-Y170 HydrophobicContact CD2-CD2 3.71Å; L21-Y170 HydrophobicContact CD2-CE1 3.98Å; L21-Y170 HydrophobicContact CD2-CE2 3.44Å; L21-Y170 VanDerWaalsContact CD2-CE2 3.44Å; L21-Y170 HydrophobicContact CD2-CG 4.02Å; S48-Y170 WeakPolarHBondContact CB-OH 3.32Å; L124-Y170 HydrophobicContact CD2-CD1 4.42Å; L124-Y170 HydrophobicContact CD2-CE1 4.11Å; P164-Y170 HydrophobicContact CB-CD2 4.12Å; P164-Y170 HydrophobicContact CG-CD2 3.44Å; P164-Y170 VanDerWaalsContact CG-CD2 3.44Å; P164-Y170 HydrophobicContact CG-CE2 4.02Å; P164-Y170 HydrophobicContact CG-CG 4.19Å; D167-Y170 HydrophobicContact CB-CD2 4.25Å; D167-Y170 CarbonylContact O-C 3.56Å; D167-Y170 PolarHBondContact O-N 3.06Å; P168-Y170 VanDerWaalsContact C-N 3.3Å; P168-Y170 PolarHBondContact O-N 3.35Å; Y170-F172 AromaticContact CD1-CE1 3.93Å; Y170-F172 HydrophobicContact CD1-CE1 3.93Å; Y170-F172 HydrophobicContact CD1-CZ 4.06Å; Y170-F172 PolarHBondContact O-N 2.9Å; Y170-V173 WeakPolarHBondContact O-CB 3.42Å; Y170-V173 WeakPolarHBondContact O-CG2 3.41Å; Y170-V173 PolarHBondContact O-N 2.94Å; Y170-A199 WeakPolarHBondContact CE1-O 3.5Å; Y170-A199 PolarHBondContact OH-O 2.83Å
171G91.9Very high88.6Confident63 Ų6367.2 Ų67.265%0.64937%0.366SS*.THydrogen-bonded Turntrans-59.2-9.7-18000000115.5D167 P168D167-G171 PolarHBondContact O-N 2.79Å; P168-G171 PolarHBondContact O-N 3.36Å
172F93.9Very high89.2Confident44 Ų4465.5 Ų65.519%0.19336%0.359CS..THydrogen-bonded Turntrans-83.8-16173.366.7-86.5000113.8T120 E123 L124 R127 Y169 Y170 R174T120-F172 HydrophobicContact CG2-CD2 4.29Å; T120-F172 HydrophobicContact CG2-CE2 3.84Å; E123-F172 HydrophobicContact CB-CD2 3.79Å; E123-F172 HydrophobicContact CB-CE2 3.77Å; E123-F172 HydrophobicContact CG-CD1 4.17Å; E123-F172 HydrophobicContact CG-CD2 3.46Å; E123-F172 VanDerWaalsContact CG-CD2 3.46Å; E123-F172 HydrophobicContact CG-CE1 4.24Å; E123-F172 HydrophobicContact CG-CE2 3.53Å; E123-F172 HydrophobicContact CG-CG 3.79Å; E123-F172 HydrophobicContact CG-CZ 3.92Å; L124-F172 HydrophobicContact CD2-CE2 4.19Å; L124-F172 HydrophobicContact CD2-CZ 3.65Å; L124-F172 HydrophobicContact CG-CE2 3.95Å; L124-F172 HydrophobicContact CG-CZ 3.92Å; R127-F172 VanDerWaalsContact NH1-CE1 3.33Å; Y169-F172 WeakPolarHBondContact O-CE1 3.42Å; Y170-F172 AromaticContact CD1-CE1 3.93Å; Y170-F172 HydrophobicContact CD1-CE1 3.93Å; Y170-F172 HydrophobicContact CD1-CZ 4.06Å; Y170-F172 PolarHBondContact O-N 2.9Å; F172-R174 PolarHBondContact O-N 3.06Å; F172-R174 VanDerWaalsContact O-N 3.17Å
173V94.6Very high89.7Confident8 Ų867.9 Ų67.95%0.04836%0.364CS..  trans-71.3107.8177.1-176.70000108.3I22 T120 Y165 Y170I22-V173 HydrophobicContact CD1-CG1 4.11Å; I22-V173 HydrophobicContact CG1-CG1 3.92Å; T120-V173 HydrophobicContact CG2-CB 4.31Å; T120-V173 HydrophobicContact CG2-CG1 4.2Å; T120-V173 HydrophobicContact CG2-CG2 3.75Å; Y165-V173 HydrophobicContact CE1-CG1 4.09Å; Y170-V173 WeakPolarHBondContact O-CB 3.42Å; Y170-V173 WeakPolarHBondContact O-CG2 3.41Å; Y170-V173 PolarHBondContact O-N 2.94Å
174R93.3Very high90Very high169 Ų16970.9 Ų70.964%0.63839%0.389SS*.  trans-82.9135.6-178.2-63.2-172.1-178.4-169.40.3111.3E116 F172E116-R174 HydrophobicContact CB-CB 4.4Å; E116-R174 HydrophobicContact CG-CB 4.09Å; F172-R174 PolarHBondContact O-N 3.06Å; F172-R174 VanDerWaalsContact O-N 3.17Å
175P92.7Very high90Very high93 Ų9373.6 Ų73.660%0.60440%0.399SS*.  trans-68150171.730.1-34.4000110.5Y165Y165-P175 HydrophobicContact CE1-CB 4.15Å; Y165-P175 HydrophobicContact CE2-CB 4.39Å
176H95.5Very high90.5Very high44 Ų4469.3 Ų69.320%0.20438%0.382CS..  trans-148.4144.6172.2-174.7-80.7000108G112 G113 E116 A178 F179G112-H176 VanDerWaalsContact C-CE1 3.48Å; G113-H176 PolarHBondContact N-CE1 3.05Å; G113-H176 PolarHBondContact N-NE2 3.22Å; E116-H176 HydrophobicContact CG-CB 4.31Å; E116-H176 IonicContact OE1-CD2 3.56Å; E116-H176 IonicContact OE2-CD2 2.82Å; H176-A178 WeakPolarHBondContact ND1-CB 3.43Å; H176-A178 PolarHBondContact ND1-N 3.25Å; H176-A178 PolarHBondContact O-N 2.85Å; H176-A178 VanDerWaalsContact O-N 3.12Å; H176-F179 HydrophobicContact CB-CD1 4.41Å; H176-F179 HydrophobicContact CB-CD2 3.56Å; H176-F179 HydrophobicContact CB-CE1 4.45Å; H176-F179 HydrophobicContact CB-CE2 3.61Å; H176-F179 HydrophobicContact CB-CG 3.97Å; H176-F179 HydrophobicContact CB-CZ 4.06Å; H176-F179 WeakPolarHBondContact O-CB 3.44Å; H176-F179 PolarHBondContact O-N 3.37Å
177E96Very high90.9Very high176 Ų17661.4 Ų61.482%0.82234%0.34SS*.THydrogen-bonded Turntrans-56.8-31.7-176.559.2178-169.900113.8F179E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 3.09Å
178A96.8Very high91Very high7 Ų760.2 Ų60.26%0.05833%0.333CS..THydrogen-bonded Turntrans-75.8-13.7176.600000114.5Y24 K111 H176 T180Y24-A178 HydrophobicContact CD2-CB 4.08Å; Y24-A178 HydrophobicContact CE2-CB 3.49Å; Y24-A178 VanDerWaalsContact CE2-CB 3.49Å; K111-A178 HydrophobicContact CB-CB 4.04Å; K111-A178 WeakPolarHBondContact O-CB 3.25Å; H176-A178 WeakPolarHBondContact ND1-CB 3.43Å; H176-A178 PolarHBondContact ND1-N 3.25Å; H176-A178 PolarHBondContact O-N 2.85Å; H176-A178 VanDerWaalsContact O-N 3.12Å; A178-T180 PolarHBondContact O-N 2.87Å
179F95.5Very high90.9Very high19 Ų1956.8 Ų56.88%0.08331%0.307CS..EExtended strand (participates in β ladder)trans-84.388.6173.9-58.1-20.7000108.9I22 Y23 Y24 G113 E116 F117 H176 E177I22-F179 HydrophobicContact CD1-CD2 4.14Å; I22-F179 HydrophobicContact CD1-CE2 3.76Å; I22-F179 HydrophobicContact CD1-CZ 4.08Å; I22-F179 HydrophobicContact CG1-CD2 4.39Å; I22-F179 HydrophobicContact CG1-CE2 4.49Å; I22-F179 HydrophobicContact CG2-CB 4.04Å; I22-F179 HydrophobicContact CG2-CD1 3.41Å; I22-F179 VanDerWaalsContact CG2-CD1 3.41Å; I22-F179 HydrophobicContact CG2-CD2 3.9Å; I22-F179 HydrophobicContact CG2-CE1 3.78Å; I22-F179 HydrophobicContact CG2-CE2 4.21Å; I22-F179 HydrophobicContact CG2-CG 3.51Å; I22-F179 HydrophobicContact CG2-CZ 4.16Å; Y23-F179 WeakPolarHBondContact O-CA 3.37Å; Y24-F179 AromaticContact CD2-CD1 3.84Å; Y24-F179 HydrophobicContact CD2-CD1 3.84Å; Y24-F179 AromaticContact CD2-CE1 3.89Å; Y24-F179 HydrophobicContact CD2-CE1 3.89Å; G113-F179 WeakPolarHBondContact O-CZ 3.23Å; E116-F179 HydrophobicContact CB-CE2 3.62Å; E116-F179 HydrophobicContact CB-CZ 3.79Å; F117-F179 HydrophobicContact CB-CE1 4.36Å; F117-F179 HydrophobicContact CB-CZ 4Å; H176-F179 HydrophobicContact CB-CD1 4.41Å; H176-F179 HydrophobicContact CB-CD2 3.56Å; H176-F179 HydrophobicContact CB-CE1 4.45Å; H176-F179 HydrophobicContact CB-CE2 3.61Å; H176-F179 HydrophobicContact CB-CG 3.97Å; H176-F179 HydrophobicContact CB-CZ 4.06Å; H176-F179 WeakPolarHBondContact O-CB 3.44Å; H176-F179 PolarHBondContact O-N 3.37Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 3.09Å
180T92.6Very high90.6Very high66 Ų6654 Ų5441%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-90.2178.2-176.854.70000110.7Y23 A178Y23-T180 WeakPolarHBondContact CB-O 3.35Å; Y23-T180 WeakPolarHBondContact CD1-O 3.23Å; Y23-T180 WeakPolarHBondContact CD1-OG1 3.43Å; Y23-T180 WeakPolarHBondContact CE1-OG1 3.26Å; Y23-T180 PolarHBondContact O-N 2.82Å; A178-T180 PolarHBondContact O-N 2.87Å
181V90.4Very high89.9Confident98 Ų9857.9 Ų57.959%0.59431%0.311SS*.PPolyproline II helixtrans-88.6142169.1-640000110.1Y23Y23-V181 VanDerWaalsContact CD1-C 3.49Å
182P89.5Confident89.3Confident5 Ų555.6 Ų55.63%0.03229%0.286CS..PPolyproline II helixtrans-59.5151.1169.5-15.827.6000110.5M20 Y23 Y45 Y161M20-P182 HydrophobicContact CE-CG 4.07Å; Y23-P182 HydrophobicContact CD1-CB 4.41Å; Y23-P182 HydrophobicContact CD1-CG 4.12Å; Y23-P182 HydrophobicContact CD2-CB 4.21Å; Y23-P182 HydrophobicContact CD2-CG 3.89Å; Y23-P182 HydrophobicContact CE2-CB 4.3Å; Y23-P182 HydrophobicContact CE2-CG 4.47Å; Y23-P182 HydrophobicContact CG-CB 4.24Å; Y23-P182 HydrophobicContact CG-CG 3.66Å; Y45-P182 HydrophobicContact CE1-CB 4.18Å; Y45-P182 HydrophobicContact CE1-CG 3.91Å; Y161-P182 HydrophobicContact CD1-CB 4.15Å; Y161-P182 HydrophobicContact CD1-CG 4.47Å; Y161-P182 VanDerWaalsContact O-CD 3.28Å; Y161-P182 WeakPolarHBondContact O-CD 3.46Å
183Q86.1Confident88.8Confident108 Ų10854.4 Ų54.451%0.50528%0.282SS..PPolyproline II helixtrans-59150.2172.871.1-171.822.200110.3Y161 T186Y161-Q183 VanDerWaalsContact CE1-O 3.31Å; Y161-Q183 WeakPolarHBondContact CE1-O 3.12Å; Q183-T186 HydrophobicContact CG-CG2 3.2Å; Q183-T186 PolarHBondContact O-OG1 3.06Å
184A82.6Confident88.5Confident81 Ų8154 Ų5467%0.66928%0.28SS*.THydrogen-bonded Turntrans-53.6150.4176.100000111T186A184-T186 VanDerWaalsContact C-N 3.3Å; A184-T186 PolarHBondContact O-N 3.5Å
185E80.6Confident88.2Confident84 Ų8448.8 Ų48.839%0.39327%0.268SS..THydrogen-bonded Turntrans59.835177.5-52.8177.7-17200114.2Y161 Y188Y161-E185 WeakPolarHBondContact OH-CA 2.97Å; Y161-E185 PolarHBondContact OH-N 2.88Å; Y161-E185 VanDerWaalsContact OH-N 3.13Å; E185-Y188 PolarHBondContact O-OH 3.3Å
186T88.6Confident88Confident2 Ų245 Ų451%0.01224%0.242CC..  trans-123.11.2173.556.50000115.3G11 V12 Y161 Q183 A184G11-T186 CarbonylContact C-O 3.44Å; G11-T186 WeakPolarHBondContact CA-O 3.15Å; V12-T186 PolarHBondContact N-O 3.37Å; Y161-T186 PolarHBondContact OH-N 3.03Å; Q183-T186 HydrophobicContact CG-CG2 3.2Å; Q183-T186 PolarHBondContact O-OG1 3.06Å; A184-T186 VanDerWaalsContact C-N 3.3Å; A184-T186 PolarHBondContact O-N 3.5Å
187L89.6Confident87.8Confident1 Ų143.3 Ų43.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-111116.7178.3-166.359.3000109.1V12 L14 M20 C156 A160 Y161V12-L187 HydrophobicContact CG1-CD1 3.29Å; L14-L187 HydrophobicContact CD1-CD1 3.69Å; L14-L187 HydrophobicContact CD1-CG 4.43Å; L14-L187 HydrophobicContact CG-CD1 3.97Å; M20-L187 HydrophobicContact CB-CD2 4.42Å; C156-L187 HydrophobicContact CB-CB 4.28Å; C156-L187 HydrophobicContact CB-CD2 4.15Å; C156-L187 HydrophobicContact CB-CG 3.91Å; C156-L187 PolarHBondContact N-O 2.88Å; A160-L187 VanDerWaalsContact C-CD2 3.45Å; A160-L187 HydrophobicContact CB-CD2 3.59Å; A160-L187 WeakPolarHBondContact O-CD2 3.46Å; Y161-L187 HydrophobicContact CD1-CB 4.29Å; Y161-L187 HydrophobicContact CE1-CB 3.71Å; Y161-L187 HydrophobicContact CE2-CB 4.23Å; Y161-L187 PolarHBondContact OH-N 3.31Å
188Y89.6Confident87.6Confident8 Ų835 Ų353%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-125.8157.7-178.5-53.2-84.4000111.1S6 V12 V13 L14 Y153 Y154 E185S6-Y188 VanDerWaalsContact CB-CE2 3.42Å; V12-Y188 PolarHBondContact O-N 2.87Å; V13-Y188 WeakPolarHBondContact CA-O 3.42Å; L14-Y188 PolarHBondContact N-O 3.44Å; Y153-Y188 AromaticContact CD2-CD1 3.36Å; Y153-Y188 HydrophobicContact CD2-CD1 3.36Å; Y153-Y188 HydrophobicContact CD2-CD2 4.07Å; Y153-Y188 AromaticContact CD2-CE1 3.99Å; Y153-Y188 HydrophobicContact CD2-CE1 3.99Å; Y153-Y188 AromaticContact CD2-CG 3.38Å; Y153-Y188 HydrophobicContact CD2-CG 3.38Å; Y153-Y188 AromaticContact CE2-CD1 3.63Å; Y153-Y188 HydrophobicContact CE2-CD1 3.63Å; Y153-Y188 HydrophobicContact CE2-CD2 4.05Å; Y153-Y188 AromaticContact CE2-CE1 3.77Å; Y153-Y188 HydrophobicContact CE2-CE1 3.77Å; Y153-Y188 HydrophobicContact CE2-CE2 4.17Å; Y153-Y188 AromaticContact CE2-CG 3.76Å; Y153-Y188 HydrophobicContact CE2-CG 3.76Å; Y153-Y188 HydrophobicContact CG-CG 4.28Å; Y154-Y188 CarbonylContact O-C 3.53Å; Y154-Y188 WeakPolarHBondContact O-CA 3.47Å; Y154-Y188 WeakPolarHBondContact O-CB 3.28Å; E185-Y188 PolarHBondContact O-OH 3.3Å
189Q85.3Confident87.5Confident51 Ų5134.7 Ų34.724%0.23819%0.194CC..EExtended strand (participates in β ladder)trans-132.3145.9175.862.9-175.231.700111.9L14 Y153 Y154L14-Q189 CarbonylContact O-C 3.33Å; L14-Q189 VanDerWaalsContact O-CA 3.26Å; L14-Q189 WeakPolarHBondContact O-CA 3.28Å; Y153-Q189 WeakPolarHBondContact CA-O 3.29Å; Y154-Q189 PolarHBondContact N-O 3.46Å; Y154-Q189 PolarHBondContact O-N 2.99Å
190V84.6Confident87.1Confident5 Ų534.4 Ų34.43%0.0319%0.194CC..  trans-95168.1163.2-63.10000110.3V13 L14 F15 Y16 V144 A192V13-V190 HydrophobicContact CG1-CG1 3.66Å; L14-V190 WeakPolarHBondContact O-CG2 3.46Å; L14-V190 PolarHBondContact O-N 2.78Å; F15-V190 HydrophobicContact CD1-CG2 4Å; Y16-V190 WeakPolarHBondContact CB-O 3.42Å; Y16-V190 PolarHBondContact N-O 2.98Å; V144-V190 HydrophobicContact CG1-CG1 4.12Å; V144-V190 HydrophobicContact CG1-CG2 4.29Å; V190-A192 HydrophobicContact CG2-CB 4.19Å
191R78.2Confident86.3Confident84 Ų8432.5 Ų32.532%0.31718%0.183SC..SBendtrans-84.6-15.2177.2-49.1-151.684.4175.72113.7Y16 Y154 A212Y16-R191 WeakPolarHBondContact CB-O 3.18Å; Y154-R191 HydrophobicContact CE2-CG 3.89Å; R191-A212 PolarHBondContact NH1-O 3.13Å; R191-A212 PolarHBondContact NH2-O 3.48Å
192A79.6Confident85Confident14 Ų1434 Ų3412%0.11619%0.192CC..SBendtrans-68.9136.317900000110.2F15 Y16 V190F15-A192 HydrophobicContact CD1-CB 4.32Å; F15-A192 WeakPolarHBondContact CD1-O 3.41Å; Y16-A192 PolarHBondContact N-O 3.2Å; V190-A192 HydrophobicContact CG2-CB 4.19Å
193P83.9Confident83.2Confident19 Ų1939.3 Ų39.312%0.12323%0.225CC..PPolyproline II helixtrans-70.1159.1169.531.3-34.9000110.7F15 P138 F208F15-P193 WeakPolarHBondContact CD1-O 3.48Å; P138-P193 HydrophobicContact CB-CG 3.87Å; P138-P193 HydrophobicContact CG-CG 4.09Å; P193-F208 HydrophobicContact CB-CB 4.02Å; P193-F208 HydrophobicContact CB-CD1 3.76Å; P193-F208 HydrophobicContact CB-CD2 3.61Å; P193-F208 HydrophobicContact CB-CE1 4.03Å; P193-F208 HydrophobicContact CB-CE2 3.92Å; P193-F208 HydrophobicContact CB-CG 3.52Å; P193-F208 HydrophobicContact CB-CZ 4.12Å; P193-F208 HydrophobicContact CG-CB 4.48Å; P193-F208 HydrophobicContact CG-CD2 4.45Å; P193-F208 HydrophobicContact CG-CG 4.42Å
194P88.2Confident81.6Confident1 Ų138.6 Ų38.61%0.00622%0.222CC..PPolyproline II helixtrans-59.6140.4174.6-19.330000111.7F15 Y16 Y196F15-P194 HydrophobicContact CB-CB 4.22Å; F15-P194 HydrophobicContact CB-CG 3.62Å; F15-P194 HydrophobicContact CD2-CB 4.03Å; F15-P194 HydrophobicContact CD2-CG 4.3Å; F15-P194 HydrophobicContact CG-CB 4.19Å; F15-P194 HydrophobicContact CG-CG 4.14Å; Y16-P194 WeakPolarHBondContact O-CD 3.33Å; P194-Y196 HydrophobicContact CB-CD2 4.3Å; P194-Y196 HydrophobicContact CB-CE2 4.16Å; P194-Y196 WeakPolarHBondContact CB-O 3.49Å; P194-Y196 PolarHBondContact O-N 3.39Å
195P86.3Confident80Confident59 Ų5935.7 Ų35.738%0.38320%0.199SC..SBendtrans-78.40.3176.831.9-34.5000113.4F15 F135F15-P195 HydrophobicContact CE2-CG 4.43Å; F15-P195 HydrophobicContact CZ-CG 4.02Å; F135-P195 WeakPolarHBondContact CE1-O 3.44Å
196Y89.6Confident78.4Confident13 Ų1336.4 Ų36.45%0.05121%0.205CC..SBendtrans-136.4156.2179.340.3-104000109.8F15 H49 R50 P68 V70 E94 P194F15-Y196 HydrophobicContact CE2-CE1 4.46Å; F15-Y196 WeakPolarHBondContact CE2-OH 3.42Å; H49-Y196 HydrophobicContact CB-CD2 3.96Å; H49-Y196 HydrophobicContact CB-CE2 3.53Å; H49-Y196 PolarHBondContact CD2-O 3.21Å; R50-Y196 WeakPolarHBondContact CD-OH 3.01Å; R50-Y196 PolarHBondContact NE-OH 3.1Å; R50-Y196 PolarHBondContact NH1-OH 2.87Å; P68-Y196 HydrophobicContact CB-CD1 3.8Å; P68-Y196 HydrophobicContact CB-CD2 4.08Å; P68-Y196 HydrophobicContact CB-CE1 3.85Å; P68-Y196 HydrophobicContact CB-CE2 4.13Å; P68-Y196 HydrophobicContact CB-CG 3.94Å; P68-Y196 HydrophobicContact CG-CD1 3.69Å; P68-Y196 HydrophobicContact CG-CE1 3.36Å; P68-Y196 HydrophobicContact CG-CE2 4.36Å; P68-Y196 HydrophobicContact CG-CG 4.34Å; V70-Y196 HydrophobicContact CG2-CG 4.36Å; E94-Y196 VanDerWaalsContact OE1-CE1 3.26Å; E94-Y196 WeakPolarHBondContact OE1-CE1 3.3Å; P194-Y196 HydrophobicContact CB-CD2 4.3Å; P194-Y196 HydrophobicContact CB-CE2 4.16Å; P194-Y196 WeakPolarHBondContact CB-O 3.49Å; P194-Y196 PolarHBondContact O-N 3.39Å
197P91.3Very high76.3Confident8 Ų842.3 Ų42.35%0.05224%0.237CC..  trans-71.8155.2177.828.9-32.3000111.8V70 A131 K132 F135V70-P197 HydrophobicContact CG1-CG 3.98Å; A131-P197 HydrophobicContact CB-CB 4.05Å; K132-P197 HydrophobicContact CB-CG 4.22Å; K132-P197 HydrophobicContact CG-CG 3.42Å; K132-P197 VanDerWaalsContact CG-CG 3.42Å; F135-P197 HydrophobicContact CB-CB 3.88Å; F135-P197 HydrophobicContact CB-CG 4.1Å; F135-P197 HydrophobicContact CD1-CB 4.43Å; F135-P197 HydrophobicContact CD1-CG 4.28Å; F135-P197 HydrophobicContact CD2-CB 3.66Å; F135-P197 HydrophobicContact CD2-CG 4.37Å; F135-P197 HydrophobicContact CE2-CB 4.3Å; F135-P197 HydrophobicContact CG-CB 3.73Å; F135-P197 HydrophobicContact CG-CG 3.99Å
198G91.3Very high74.3Confident3 Ų345.1 Ų45.13%0.03125%0.249CC..  trans-118.4175.2172.900000112.8S48 H49 T200S48-G198 CarbonylContact O-C 3.59Å; S48-G198 VanDerWaalsContact O-CA 3.29Å; S48-G198 WeakPolarHBondContact O-CA 3.1Å; H49-G198 WeakPolarHBondContact CD2-CA 3.47Å; H49-G198 PolarHBondContact CD2-N 2.88Å; H49-G198 WeakPolarHBondContact NE2-CA 3.26Å; H49-G198 PolarHBondContact NE2-N 3.29Å; G198-T200 VanDerWaalsContact C-N 3.28Å; G198-T200 PolarHBondContact O-N 3.04Å
199A93.2Very high71.7Confident0 Ų046.6 Ų46.60%027%0.267CS..SBendtrans-83.774.6165.500000108.9S48 L124 R127 Y169 Y170S48-A199 PolarHBondContact O-N 2.93Å; L124-A199 HydrophobicContact CB-CB 4.25Å; L124-A199 HydrophobicContact CD2-CB 3.5Å; L124-A199 VanDerWaalsContact CD2-CB 3.5Å; L124-A199 HydrophobicContact CG-CB 4.48Å; R127-A199 HydrophobicContact CB-CB 3.59Å; Y169-A199 VanDerWaalsContact CE1-O 3.3Å; Y169-A199 WeakPolarHBondContact CE1-O 3.36Å; Y170-A199 WeakPolarHBondContact CE1-O 3.5Å; Y170-A199 PolarHBondContact OH-O 2.83Å
200T87Confident69.5Low12 Ų1250.2 Ų50.27%0.07430%0.298CS..  trans-117.1156.1176.356.40000110.8Y169 G198Y169-T200 VanDerWaalsContact OH-C 3.29Å; Y169-T200 PolarHBondContact OH-N 2.96Å; Y169-T200 PolarHBondContact OH-O 2.75Å; G198-T200 VanDerWaalsContact C-N 3.28Å; G198-T200 PolarHBondContact O-N 3.04Å
201P77.4Confident67.3Low26 Ų2653.3 Ų53.317%0.16932%0.324CS..  trans-51.8142.5167.6-23.532.9000110.8Y169 T203 M204 A205Y169-P201 HydrophobicContact CD1-CG 4.13Å; Y169-P201 HydrophobicContact CD2-CB 4.24Å; Y169-P201 HydrophobicContact CD2-CG 3.86Å; Y169-P201 HydrophobicContact CE2-CB 4.44Å; Y169-P201 HydrophobicContact CE2-CG 4.29Å; Y169-P201 HydrophobicContact CG-CG 3.77Å; P201-T203 PolarHBondContact O-N 2.95Å; P201-T203 VanDerWaalsContact O-N 3.13Å; P201-M204 PolarHBondContact O-N 3.18Å; P201-A205 PolarHBondContact O-N 3.08Å
202T62Low65.3Low129 Ų12951.8 Ų51.879%0.79133%0.329SS*.THydrogen-bonded Turntrans-56.1-31.9-172.942.10000113.5M204 A205T202-M204 VanDerWaalsContact C-N 3.25Å; T202-M204 PolarHBondContact O-N 2.7Å; T202-A205 PolarHBondContact O-N 3.29Å
203T52.2Low63Low118 Ų11857.9 Ų57.972%0.72437%0.365SS*.THydrogen-bonded Turntrans-61.6-28.9175.612.60000113.5P201P201-T203 PolarHBondContact O-N 2.95Å; P201-T203 VanDerWaalsContact O-N 3.13Å
204M51.7Low60.6Low92 Ų9259.7 Ų59.745%0.45338%0.378SS..THydrogen-bonded Turntrans-95.8-18-178.2-61.6-170.8129.400113.8P201 T202 N206P201-M204 PolarHBondContact O-N 3.18Å; T202-M204 VanDerWaalsContact C-N 3.25Å; T202-M204 PolarHBondContact O-N 2.7Å; M204-N206 VanDerWaalsContact C-N 3.26Å; M204-N206 PolarHBondContact O-N 2.89Å
205A49.8Very low57.8Low21 Ų2169 Ų6917%0.17442%0.422CS..SBendtrans-70.3-22.4-169.400000113.7P201 T202 F208P201-A205 PolarHBondContact O-N 3.08Å; T202-A205 PolarHBondContact O-N 3.29Å; A205-F208 WeakPolarHBondContact O-CE2 3.41Å
206N47.9Very low55.4Low99 Ų9970.4 Ų70.453%0.52942%0.42SS..SBendtrans-130.1-13.5-170.5-66.7-43.4000114.7H134 M204H134-N206 PolarHBondContact O-OD1 3.45Å; M204-N206 VanDerWaalsContact C-N 3.26Å; M204-N206 PolarHBondContact O-N 2.89Å
207D43.4Very low52.8Low126 Ų12673.7 Ų73.767%0.67444%0.442SS*.  trans-108.365-179-160.46.1000110.6G209D207-G209 PolarHBondContact O-N 3.43Å
208F47.5Very low49.9Very low59 Ų5977.8 Ų77.826%0.25947%0.467SS..  trans-78.673.5161.8-54.6-78.1000106.6Y16 P193 A205Y16-F208 AromaticContact CD1-CD1 3.89Å; Y16-F208 HydrophobicContact CD1-CD1 3.89Å; Y16-F208 HydrophobicContact CE1-CD1 4.38Å; Y16-F208 WeakPolarHBondContact O-CE1 3.34Å; P193-F208 HydrophobicContact CB-CB 4.02Å; P193-F208 HydrophobicContact CB-CD1 3.76Å; P193-F208 HydrophobicContact CB-CD2 3.61Å; P193-F208 HydrophobicContact CB-CE1 4.03Å; P193-F208 HydrophobicContact CB-CE2 3.92Å; P193-F208 HydrophobicContact CB-CG 3.52Å; P193-F208 HydrophobicContact CB-CZ 4.12Å; P193-F208 HydrophobicContact CG-CB 4.48Å; P193-F208 HydrophobicContact CG-CD2 4.45Å; P193-F208 HydrophobicContact CG-CG 4.42Å; A205-F208 WeakPolarHBondContact O-CE2 3.41Å
209G36.1Very low47.2Very low40 Ų4081.2 Ų81.241%0.41249%0.488SS..  trans-47.3161-174.600000113.5D207 A211D207-G209 PolarHBondContact O-N 3.43Å; G209-A211 PolarHBondContact O-N 2.94Å
210S37.8Very low44.4Very low127 Ų12788 Ų8889%0.88852%0.515SS*.SBendtrans-45.1119.2-180-152.90000110A212S210-A212 PolarHBondContact O-N 3.33Å
211A39.4Very low41.8Very low70 Ų7092.7 Ų92.758%0.57955%0.546SS*.  trans-40.5103.3-169.400000111.2G209 T213G209-A211 PolarHBondContact O-N 2.94Å; A211-T213 PolarHBondContact O-N 3.17Å; A211-T213 VanDerWaalsContact O-N 3.12Å
212A35.5Very low39.8Very low51 Ų5196 Ų9642%0.42157%0.565SS.*  trans-54.2123-17100000109.8R191 S210 S214R191-A212 PolarHBondContact NH1-O 3.13Å; R191-A212 PolarHBondContact NH2-O 3.48Å; S210-A212 PolarHBondContact O-N 3.33Å; A212-S214 PolarHBondContact O-N 3.15Å
213T32Very low38.3Very low143 Ų14397 Ų9788%0.87757%0.566SS**  trans-71.758.9177.446.90000110.7A211A211-T213 PolarHBondContact O-N 3.17Å; A211-T213 VanDerWaalsContact O-N 3.12Å
214S33.1Very low37.1Very low56 Ų5696.2 Ų96.239%0.39257%0.565SS.*  trans-84.2127.5171.3-57.60000108.6A212 Y216A212-S214 PolarHBondContact O-N 3.15Å; S214-Y216 VanDerWaalsContact CB-CE2 3.41Å; S214-Y216 VanDerWaalsContact O-CD2 3.29Å; S214-Y216 WeakPolarHBondContact O-CD2 3.2Å; S214-Y216 PolarHBondContact O-N 3.14Å
215Q29.2Very low35.9Very low198 Ų19897.4 Ų97.493%0.92558%0.578SS**  trans-69.586.4179.3-62.2-174.4-20.100109.7
216Y35.8Very low34.6Very low88 Ų88102.9 Ų102.935%0.34561%0.609SS.*PPolyproline II helixtrans-92.5123.1173.1-62.5-70000109.9Y154 S214 Y261Y154-Y216 HydrophobicContact CD1-CG 4.48Å; Y154-Y216 HydrophobicContact CE1-CG 4.47Å; S214-Y216 VanDerWaalsContact CB-CE2 3.41Å; S214-Y216 VanDerWaalsContact O-CD2 3.29Å; S214-Y216 WeakPolarHBondContact O-CD2 3.2Å; S214-Y216 PolarHBondContact O-N 3.14Å; Y216-Y261 HydrophobicContact CD1-CD1 4.42Å; Y216-Y261 AromaticContact CD1-CE1 3.94Å; Y216-Y261 HydrophobicContact CD1-CE1 3.94Å; Y216-Y261 AromaticContact CE1-CD1 3.79Å; Y216-Y261 HydrophobicContact CE1-CD1 3.79Å; Y216-Y261 AromaticContact CE1-CE1 3.63Å; Y216-Y261 HydrophobicContact CE1-CE1 3.63Å
217T35.3Very low33.5Very low82 Ų82104.6 Ų104.650%0.50362%0.623SS.*PPolyproline II helixtrans-83.9138.7167.6157.40000109.6P219T217-P219 WeakPolarHBondContact O-CD 3.48Å
218T31.2Very low32.5Very low94 Ų94101.4 Ų101.458%0.57762%0.62SS**PPolyproline II helixtrans-73.9129.9-174.552.70000112.6
219P32.8Very low31.3Very low75 Ų75107 Ų10749%0.48765%0.647SS.*  trans-123.486.2159.834.2-16.2000107.9T217T217-P219 WeakPolarHBondContact O-CD 3.48Å
220Y35.1Very low30.7Very low142 Ų142111.8 Ų111.856%0.55766%0.663SS**  trans172.2116.8145.7-96.6-70.2000109
221P32.6Very low30Very low111 Ų111109.2 Ų109.272%0.72165%0.649SS**  trans-73.1137.6175.627.6-31.1000110.9N223P221-N223 PolarHBondContact O-N 2.95Å
222T35.8Very low29.1Very low94 Ų94112 Ų11258%0.57766%0.662SS**  trans-70.6116.116774.60000107.6S224T222-S224 VanDerWaalsContact C-N 3.26Å; T222-S224 PolarHBondContact O-N 3.4Å
223N30.3Very low28.4Very low151 Ų151119.5 Ų119.581%0.80768%0.68SS**  trans-72.391.1164.2-90.3-8.5000107.7P221 T225P221-N223 PolarHBondContact O-N 2.95Å; N223-T225 PolarHBondContact O-N 2.76Å
224S27.7Very low28.1Very low102 Ų102118.1 Ų118.171%0.71367%0.674SS**  trans-71.186.6165.4-171.60000107.7T222 T226T222-S224 VanDerWaalsContact C-N 3.26Å; T222-S224 PolarHBondContact O-N 3.4Å; S224-T226 PolarHBondContact O-N 2.76Å
225T25.3Very low27.6Very low117 Ų117121.5 Ų121.572%0.71869%0.692SS**  trans-70112164.234.10000108N223 V227N223-T225 PolarHBondContact O-N 2.76Å; T225-V227 PolarHBondContact O-N 3.12Å
226T22.7Very low27.3Very low136 Ų136118.3 Ų118.383%0.83469%0.686SS**  trans-57.293.7171.547.40000110.3S224S224-T226 PolarHBondContact O-N 2.76Å
227V25.7Very low26.7Very low134 Ų134121.3 Ų121.381%0.81271%0.708SS**  trans-86.3115164.2-179.70000106.8T225T225-V227 PolarHBondContact O-N 3.12Å
228G22.3Very low26.3Very low59 Ų59123.1 Ų123.161%0.60872%0.724SS**  trans-66.2162.1-178.300000113.8
229E21.7Very low26Very low176 Ų176125.4 Ų125.482%0.82274%0.738SS**  trans73.9114.3144.8-85.2-176.513900120
230N23.8Very low25.6Very low142 Ų142130.4 Ų130.476%0.75976%0.755SS**  trans79.294.2139.4-60.4-46.4000118.7
231A22.1Very low25Very low73 Ų73127.3 Ų127.360%0.60377%0.766SS**  -165.8121.6128.300000111.1Y233A231-Y233 HydrophobicContact CB-CE2 4.13Å
232P21.3Very low24.8Very low129 Ų129126.9 Ų126.984%0.83877%0.766SS**  trans-86.2119.717832.7-27.8000110
233Y21.5Very low24.2Very low207 Ų207132.2 Ų132.281%0.81278%0.781SS**  trans-107.5137.7166.8-74.9-83000110.5A231A231-Y233 HydrophobicContact CB-CE2 4.13Å
234P24.4Very low24.2Very low114 Ų114130.2 Ų130.274%0.7478%0.779SS**  trans-73.4131.5-168.227.3-32.6000112.6
235V22.4Very low24.2Very low127 Ų127132.1 Ų132.177%0.7778%0.781SS**  trans-71120.3168.5171.30000109.1
236T24.1Very low24.1Very low131 Ų131135.5 Ų135.580%0.80479%0.789SS**  trans-110.6113.6161.150.80000109.4
237N22.4Very low24.1Very low151 Ų151134.2 Ų134.281%0.80779%0.792SS**  trans-53.6129172.9-73.8-34.1000111.9
238S27.6Very low24.1Very low120 Ų120131.9 Ų131.984%0.83979%0.787SS**  trans-139.5123.9145.760.10000110.5
239T23.6Very low24.1Very low143 Ų143133.6 Ų133.688%0.87780%0.795SS**  trans-74.9115.9-172.5-42.20000110.1
240Q24.9Very low24.3Very low180 Ų180130.8 Ų130.884%0.84180%0.795SS**  trans-143.297.6159.4-160.5166.6-14.800110
241G22.3Very low24.2Very low76 Ų76132.5 Ų132.578%0.78480%0.804SS**  trans-74.1124.9174.300000110.8
242S29.1Very low24.2Very low103 Ų103131.5 Ų131.572%0.7280%0.801SS**  trans-128.7103.8162.5-58.20000107.1S244S242-S244 PolarHBondContact O-N 2.78Å
243K23Very low24.4Very low206 Ų206131.8 Ų131.890%0.89680%0.802SS**  trans-69.2108.1171-72.1177.8174.9179.70108.2N245K243-N245 PolarHBondContact O-OD1 3.24Å
244S30.9Very low24.5Very low109 Ų109126.2 Ų126.276%0.76280%0.799SS**  trans-116.879.7160.960.20000108.8S242 E246S242-S244 PolarHBondContact O-N 2.78Å; S244-E246 PolarHBondContact O-N 2.83Å
245N27.8Very low24.4Very low141 Ų141127.9 Ų127.975%0.75480%0.802SS**  2789.9129.4-39-2.3000115.3K243 A247K243-N245 PolarHBondContact O-OD1 3.24Å; N245-A247 PolarHBondContact O-N 3.07Å
246E22.3Very low24.6Very low189 Ų189128 Ų12888%0.88380%0.802SS**  21.785125.8-147.9167.5-154.800116.8S244S244-E246 PolarHBondContact O-N 2.83Å
247A23.5Very low24.8Very low109 Ų109127.2 Ų127.290%0.90180%0.797SS**  trans-98.881.5156.800000108.3N245N245-A247 PolarHBondContact O-N 3.07Å
248A24.5Very low25.3Very low85 Ų85123.8 Ų123.870%0.70279%0.786SS**  trans-88.1118.816500000108.6
249A23.9Very low25.6Very low94 Ų94119.9 Ų119.978%0.77776%0.764SS**  trans174.5130.6142.300000113.4
250S24.8Very low26Very low117 Ų117114.4 Ų114.482%0.81874%0.736SS**  trans78.883.2156.478.30000118.3G252S250-G252 VanDerWaalsContact C-N 3.28Å; S250-G252 PolarHBondContact O-N 3.33Å
251N22.8Very low26.6Very low179 Ų179108 Ų10896%0.95770%0.704SS**  trans-66.287149.1-89-50000109
252G22.2Very low27.4Very low52 Ų52111.8 Ų111.854%0.53670%0.696SS.*  trans-87.2145.3158.400000109.3S250 A254S250-G252 VanDerWaalsContact C-N 3.28Å; S250-G252 PolarHBondContact O-N 3.33Å; G252-A254 PolarHBondContact O-N 3.01Å
253P23.8Very low27.6Very low134 Ų134110.7 Ų110.787%0.8768%0.679SS**  trans-61.7113.5-17925.6-30.9000108.8N255P253-N255 PolarHBondContact O-N 3Å
254A23.3Very low28.5Very low90 Ų90106.8 Ų106.874%0.74468%0.675SS**  trans-58.9106.7178.700000108.7G252 V256G252-A254 PolarHBondContact O-N 3.01Å; A254-V256 PolarHBondContact O-N 2.94Å
255N23.9Very low29Very low149 Ų149110.3 Ų110.380%0.79768%0.679SS**  trans-66.2104.3172.4-158.3-28.9000106.6P253 V257P253-N255 PolarHBondContact O-N 3Å; N255-V257 VanDerWaalsContact C-N 3.28Å; N255-V257 PolarHBondContact O-N 3.04Å
256V25.4Very low29.4Very low129 Ų129106.6 Ų106.678%0.78266%0.659SS**  trans-71.683.9-174.3-176.30000108.4A254 S258A254-V256 PolarHBondContact O-N 2.94Å; V256-S258 PolarHBondContact O-N 2.94Å
257V28Very low30.4Very low115 Ų115101.1 Ų101.170%0.69764%0.64SS**  trans-71.7110170.9174.70000107.6N255 G259N255-V257 VanDerWaalsContact C-N 3.28Å; N255-V257 PolarHBondContact O-N 3.04Å; V257-G259 PolarHBondContact O-N 3.05Å
258S33.1Very low31.2Very low80 Ų80104.9 Ų104.956%0.55964%0.636SS**  trans-52.91081711800000109.6V256 G260V256-S258 PolarHBondContact O-N 2.94Å; S258-G260 PolarHBondContact O-N 2.85Å
259G34.5Very low31.9Very low37 Ų37103.2 Ų103.238%0.38162%0.619SS.*PPolyproline II helixtrans-68.8120.3-166.300000113.9V257V257-G259 PolarHBondContact O-N 3.05Å
260G32.8Very low32.7Very low29 Ų29102 Ų10230%0.29960%0.602SS.*PPolyproline II helixtrans-92.4156.4166.500000112S258 V270 Y271S258-G260 PolarHBondContact O-N 2.85Å; G260-V270 VanDerWaalsContact CA-CG1 3.49Å; G260-Y271 WeakPolarHBondContact CA-O 3.23Å
261Y37.8Very low33.5Very low44 Ų44100.1 Ų100.117%0.17358%0.577CS.*EExtended strand (participates in β ladder)trans-101.3138.1178.2-69.8-98.4000111.4Y216 V270 Y271Y216-Y261 HydrophobicContact CD1-CD1 4.42Å; Y216-Y261 AromaticContact CD1-CE1 3.94Å; Y216-Y261 HydrophobicContact CD1-CE1 3.94Å; Y216-Y261 AromaticContact CE1-CD1 3.79Å; Y216-Y261 HydrophobicContact CE1-CD1 3.79Å; Y216-Y261 AromaticContact CE1-CE1 3.63Å; Y216-Y261 HydrophobicContact CE1-CE1 3.63Å; Y261-V270 CarbonylContact O-C 3.43Å; Y261-V270 WeakPolarHBondContact O-CA 3.16Å; Y261-Y271 HydrophobicContact CD2-CD1 4.4Å; Y261-Y271 PolarHBondContact N-O 3.04Å; Y261-Y271 PolarHBondContact O-N 3.25Å
262Y37.5Very low34.3Very low157 Ų15795.6 Ų95.662%0.61656%0.556SS**EExtended strand (participates in β ladder)trans-100.8145.6168.9-56.8-89.1000110.6P267 V270Y262-P267 WeakPolarHBondContact CD1-O 3.42Å; Y262-V270 HydrophobicContact CD1-CG2 3.5Å; Y262-V270 VanDerWaalsContact CD1-CG2 3.5Å; Y262-V270 HydrophobicContact CE1-CG2 3.11Å; Y262-V270 HydrophobicContact CE2-CG2 4.44Å; Y262-V270 HydrophobicContact CG-CG2 4.35Å
263F34.6Very low35.2Very low79 Ų7996.7 Ų96.735%0.34655%0.548SS..EExtended strand (participates in β ladder)trans-83.4132.2170-61.7-87000109.1E265 D266 P267F263-E265 PolarHBondContact O-N 3.06Å; F263-D266 HydrophobicContact CB-CB 4.14Å; F263-D266 PolarHBondContact N-O 3.2Å; F263-D266 CarbonylContact O-C 2.95Å; F263-D266 PolarHBondContact O-N 3.38Å; F263-D266 VanDerWaalsContact O-O 3.11Å; F263-P267 WeakPolarHBondContact O-CA 3.29Å; F263-P267 VanDerWaalsContact O-N 3.08Å
264P41.6Very low36Very low125 Ų12595.4 Ų95.481%0.81254%0.539SS*.THydrogen-bonded Turntrans-58.3-34.7175.7-24.533.8000112.8
265E41.2Very low36.9Very low182 Ų18297.2 Ų97.285%0.8554%0.536SS*.THydrogen-bonded Turntrans-77.9-22.7177.9-31.2-74.2179.100112.4F263F263-E265 PolarHBondContact O-N 3.06Å
266D36.8Very low37.3Very low64 Ų6491.7 Ų91.734%0.34251%0.511SS..EExtended strand (participates in β ladder)trans-144.180-179.5-178.711.9000110.5F263 F268 S269F263-D266 HydrophobicContact CB-CB 4.14Å; F263-D266 PolarHBondContact N-O 3.2Å; F263-D266 CarbonylContact O-C 2.95Å; F263-D266 PolarHBondContact O-N 3.38Å; F263-D266 VanDerWaalsContact O-O 3.11Å; D266-F268 PolarHBondContact O-N 2.93Å; D266-F268 VanDerWaalsContact O-N 3.11Å; D266-F268 PolarHBondContact OD1-N 2.8Å; D266-S269 PolarHBondContact O-N 3.48Å; D266-S269 VanDerWaalsContact OD2-CB 3.23Å; D266-S269 WeakPolarHBondContact OD2-CB 3.37Å; D266-S269 PolarHBondContact OD2-OG 3.26Å
267P41.4Very low37.3Very low73 Ų7390.7 Ų90.747%0.47451%0.507SS..EExtended strand (participates in β ladder)trans-71-2.2-177.228.4-34.6000113.2Y262 F263Y262-P267 WeakPolarHBondContact CD1-O 3.42Å; F263-P267 WeakPolarHBondContact O-CA 3.29Å; F263-P267 VanDerWaalsContact O-N 3.08Å
268F41.6Very low37.4Very low189 Ų18993 Ų9383%0.82952%0.516SS*.EExtended strand (participates in β ladder)trans-91.8-14.8176.9-60.3-73.4000112.9D266D266-F268 PolarHBondContact O-N 2.93Å; D266-F268 VanDerWaalsContact O-N 3.11Å; D266-F268 PolarHBondContact OD1-N 2.8Å
269S39Very low37.2Very low50 Ų5099 Ų9935%0.3553%0.528SS..EExtended strand (participates in β ladder)trans-95.6116.7176.5-70.90000110.9D266D266-S269 PolarHBondContact O-N 3.48Å; D266-S269 VanDerWaalsContact OD2-CB 3.23Å; D266-S269 WeakPolarHBondContact OD2-CB 3.37Å; D266-S269 PolarHBondContact OD2-OG 3.26Å
270V40.3Very low36.8Very low67 Ų67103.5 Ų103.541%0.40655%0.55SS..EExtended strand (participates in β ladder)trans-99.6118.9173179.10000110.4G260 Y261 Y262 V272G260-V270 VanDerWaalsContact CA-CG1 3.49Å; Y261-V270 CarbonylContact O-C 3.43Å; Y261-V270 WeakPolarHBondContact O-CA 3.16Å; Y262-V270 HydrophobicContact CD1-CG2 3.5Å; Y262-V270 VanDerWaalsContact CD1-CG2 3.5Å; Y262-V270 HydrophobicContact CE1-CG2 3.11Å; Y262-V270 HydrophobicContact CE2-CG2 4.44Å; Y262-V270 HydrophobicContact CG-CG2 4.35Å; V270-V272 HydrophobicContact CG1-CG2 4.11Å
271Y41.2Very low36.6Very low78 Ų78105 Ų10531%0.30657%0.565SS.*EExtended strand (participates in β ladder)trans-83.6123.3167.7-178.4-101.1000110.6P158 G260 Y261 Q273 P274P158-Y271 HydrophobicContact CG-CE1 4.47Å; G260-Y271 WeakPolarHBondContact CA-O 3.23Å; Y261-Y271 HydrophobicContact CD2-CD1 4.4Å; Y261-Y271 PolarHBondContact N-O 3.04Å; Y261-Y271 PolarHBondContact O-N 3.25Å; Y271-Q273 HydrophobicContact CE1-CG 4.28Å; Y271-P274 WeakPolarHBondContact OH-CD 3.15Å
272V41.1Very low36.1Very low85 Ų85110.4 Ų110.452%0.51560%0.597SS.*  trans-109.9134.4172.7-174.20000108.2V270 A276V270-V272 HydrophobicContact CG1-CG2 4.11Å; V272-A276 HydrophobicContact CG1-CB 4.21Å
273Q40.2Very low35.6Very low75 Ų75108.3 Ų108.335%0.3560%0.603SS.*  trans-65141.1-179.2-72-147.8-11.800112.4Y271 N275 A276Y271-Q273 HydrophobicContact CE1-CG 4.28Å; Q273-N275 PolarHBondContact O-N 2.99Å; Q273-N275 VanDerWaalsContact O-N 3.14Å; Q273-A276 WeakPolarHBondContact O-CB 3.43Å; Q273-A276 PolarHBondContact O-N 2.62Å; Q273-A276 VanDerWaalsContact O-N 3.15Å
274P40.7Very low35.2Very low106 Ų106110.3 Ų110.369%0.68862%0.624SS**THydrogen-bonded Turntrans-60.8-24.5-179.4-23.232.2000114.7Y271Y271-P274 WeakPolarHBondContact OH-CD 3.15Å
275N41.4Very low34.5Very low129 Ų129109.8 Ų109.869%0.6962%0.623SS**THydrogen-bonded Turntrans-103.517.2-178.6-67-12.9000113.3Q273Q273-N275 PolarHBondContact O-N 2.99Å; Q273-N275 VanDerWaalsContact O-N 3.14Å
276A32.5Very low33.6Very low33 Ų33111.8 Ų111.827%0.27362%0.624SS.*SBendtrans-62.9132.8170.600000109.6V272 Q273 N278V272-A276 HydrophobicContact CG1-CB 4.21Å; Q273-A276 WeakPolarHBondContact O-CB 3.43Å; Q273-A276 PolarHBondContact O-N 2.62Å; Q273-A276 VanDerWaalsContact O-N 3.15Å; A276-N278 PolarHBondContact O-N 3.27Å; A276-N278 VanDerWaalsContact O-N 3.17Å
277P27.2Very low33.3Very low107 Ų107114.2 Ų114.270%0.69564%0.644SS**  trans-52.4124.5176.6-24.332000110.8Y279P277-Y279 PolarHBondContact O-N 3.11Å
278N30Very low32.5Very low165 Ų165114.4 Ų114.488%0.88266%0.659SS**  trans-61.595.9-175.7-146-3.4000109.8A276A276-N278 PolarHBondContact O-N 3.27Å; A276-N278 VanDerWaalsContact O-N 3.17Å
279Y27.4Very low32Very low206 Ų206112.6 Ų112.681%0.80866%0.658SS**  trans-104.6123.6174.6-114.7-84.9000110.3P277 G281P277-Y279 PolarHBondContact O-N 3.11Å; Y279-G281 VanDerWaalsContact C-N 3.31Å; Y279-G281 PolarHBondContact O-N 3.26Å
280P26.6Very low31.6Very low130 Ų130115.7 Ų115.784%0.84468%0.675SS**  trans-80.680.6177.532.4-31.4000108.9
281G28.9Very low31Very low60 Ų60121.6 Ų121.662%0.61970%0.699SS**  trans-129.9109.8172.700000109.1Y279Y279-G281 VanDerWaalsContact C-N 3.31Å; Y279-G281 PolarHBondContact O-N 3.26Å
282N27Very low30.5Very low159 Ų159125.6 Ų125.685%0.8573%0.725SS**PPolyproline II helixtrans-54.1139.8167.9-84.3-14.5000109.1
283P27.1Very low29.8Very low113 Ų113127.7 Ų127.773%0.73473%0.733SS**PPolyproline II helixtrans-58.1148178.422.9-31.9000110.9S285P283-S285 PolarHBondContact O-N 3.44Å
284P25.4Very low29.3Very low120 Ų120132.2 Ų132.278%0.77975%0.754SS**PPolyproline II helixtrans-60.5134.5-175.8-19.530.8000112.1Y286P284-Y286 PolarHBondContact O-N 3.42Å
285S27.4Very low28.8Very low115 Ų115134.4 Ų134.480%0.80476%0.76SS**PPolyproline II helixtrans-64.5124.1171.349.60000110.5P283P283-S285 PolarHBondContact O-N 3.44Å
286Y23.7Very low28.2Very low223 Ų223136.5 Ų136.588%0.87577%0.766SS**PPolyproline II helixtrans-60135.8176.3-94.1-93.2000111P284 G288P284-Y286 PolarHBondContact O-N 3.42Å; Y286-G288 PolarHBondContact O-N 3.1Å; Y286-G288 VanDerWaalsContact O-N 3.15Å
287P30.3Very low28.1Very low115 Ų115141.4 Ų141.475%0.74779%0.792SS**  trans-66115176.4-12.726.6000109.7N289P287-N289 PolarHBondContact O-N 3.15Å; P287-N289 VanDerWaalsContact O-N 3.1Å
288G24.9Very low28.1Very low78 Ų78139.8 Ų139.880%0.80479%0.788SS**  trans-68.6102.1171.700000110Y286 T290Y286-G288 PolarHBondContact O-N 3.1Å; Y286-G288 VanDerWaalsContact O-N 3.15Å; G288-T290 PolarHBondContact O-N 3.3Å
289N30.1Very low28.2Very low150 Ų150138 Ų13880%0.80279%0.785SS**  trans-78.1105.9161.5-986.3000108.3P287 Q291P287-N289 PolarHBondContact O-N 3.15Å; P287-N289 VanDerWaalsContact O-N 3.1Å; N289-Q291 PolarHBondContact O-N 3.39Å
290T30.8Very low28.1Very low116 Ų116138.1 Ų138.171%0.71279%0.786SS**  trans26.392.4137.840.80000116.1G288 D292G288-T290 PolarHBondContact O-N 3.3Å; T290-D292 PolarHBondContact O-N 3.4Å
291Q27.3Very low28.4Very low191 Ų191137.5 Ų137.589%0.89378%0.782SS**  32.487.3118.2-161.7175.1-18.300115.1N289N289-Q291 PolarHBondContact O-N 3.39Å
292D30Very low28.7Very low162 Ų162141 Ų14187%0.86679%0.792SS**  trans-135.1132.6149.6-103.9-31.7000110.8T290 H294T290-D292 PolarHBondContact O-N 3.4Å; D292-H294 PolarHBondContact O-N 3.22Å
293N28Very low29Very low128 Ų128141.1 Ų141.168%0.68479%0.787SS**  trans-83.4100-158.1-170.37.3000110.2
294H29.1Very low29.3Very low171 Ų171143.3 Ų143.379%0.79279%0.793SS**  trans-131.283.8162.1-84.3-73000109.7D292 Q296D292-H294 PolarHBondContact O-N 3.22Å; H294-Q296 PolarHBondContact O-N 3.38Å
295D30.9Very low29.7Very low151 Ų151147.1 Ų147.181%0.80779%0.793SS**  trans-51.390.9150.5-89.8-36.7000108.8
296Q28Very low30Very low173 Ų173144.9 Ų144.981%0.80879%0.788SS**  trans-132.489.4163.6-123.1177.6000108H294 A298H294-Q296 PolarHBondContact O-N 3.38Å; Q296-A298 PolarHBondContact O-N 3.36Å
297T29.8Very low30.4Very low136 Ų136139.7 Ų139.783%0.83479%0.785SS**  trans-59.3126.1169.439.40000109.4
298A26.9Very low30.6Very low74 Ų74143.7 Ų143.761%0.61279%0.793SS**  trans-65.1138.4174.900000110.4Q296 Y300Q296-A298 PolarHBondContact O-N 3.36Å; A298-Y300 PolarHBondContact O-N 3.29Å
299P32.4Very low31.1Very low126 Ų126148.7 Ų148.782%0.81880%0.796SS**  trans-75.1110.6178.129.1-29.9000109.5
300Y26.2Very low31.3Very low209 Ų209149.2 Ų149.282%0.8280%0.799SS**  trans-69.9131.8168.6-73.6-87.5000109.9A298 T302A298-Y300 PolarHBondContact O-N 3.29Å; Y300-T302 PolarHBondContact O-N 3.36Å
301P32.5Very low31.7Very low117 Ų117148.6 Ų148.676%0.7681%0.805SS**  trans-73.7116.7168.5-1.817.8000109E303P301-E303 PolarHBondContact O-N 3.27Å
302T35.2Very low32.1Very low135 Ų135144.5 Ų144.583%0.82880%0.797SS**  trans-75.9105.8169.348.60000109.4Y300 N304Y300-T302 PolarHBondContact O-N 3.36Å; T302-N304 PolarHBondContact O-N 3.04Å
303E33Very low32.5Very low161 Ų161146.4 Ų146.475%0.75280%0.798SS**  trans-70.3116.2170.2-72.3-176.3165.500110.2P301 Y305P301-E303 PolarHBondContact O-N 3.27Å; E303-Y305 PolarHBondContact O-N 2.97Å
304N32.5Very low33.1Very low159 Ų159149.3 Ų149.385%0.8581%0.805SS**  trans-8790.6-178.8-139.6-26.2000108.4T302 G306T302-N304 PolarHBondContact O-N 3.04Å; N304-G306 PolarHBondContact O-N 3.24Å
305Y35.3Very low33.4Very low199 Ų199149.1 Ų149.178%0.7881%0.81SS**  trans-70.994.3170.8-96.4-89.8000109.5E303 S307E303-Y305 PolarHBondContact O-N 2.97Å; Y305-S307 PolarHBondContact O-N 3.14Å
306G34.1Very low33.8Very low69 Ų69154.7 Ų154.771%0.71183%0.831SS**  trans-57.5107172.400000111N304 Q308N304-G306 PolarHBondContact O-N 3.24Å; G306-Q308 PolarHBondContact O-N 3.43Å; G306-Q308 VanDerWaalsContact O-N 3.14Å
307S31.8Very low34.1Very low114 Ų114153.8 Ų153.880%0.79783%0.832SS**  trans-7590.6169.3-56.10000108.6Y305Y305-S307 PolarHBondContact O-N 3.14Å
308Q34.2Very low34.3Very low198 Ų198154.7 Ų154.793%0.92583%0.832SS**  trans-90.1131.4168.4-93.8-169.4-1.600111.3G306G306-Q308 PolarHBondContact O-N 3.43Å; G306-Q308 VanDerWaalsContact O-N 3.14Å
309Q34.6Very low34.7Very low183 Ų183159.2 Ų159.286%0.85584%0.844SS**  trans-77.3146.8-157.2-71.1163.9-6.600113.4A311Q309-A311 PolarHBondContact O-N 3.35Å
310N34.2Very low34.9Very low162 Ų162161.2 Ų161.287%0.86685%0.846SS**  trans-47.7115.5161.3-72.1-48.4000112
311A40.3Very low35.4Very low103 Ų103158.2 Ų158.285%0.85185%0.847SS**  trans-108.883.4161.400000109Q309Q309-A311 PolarHBondContact O-N 3.35Å
312S34.5Very low35.6Very low104 Ų104160.9 Ų160.973%0.72785%0.853SS**  trans-103.2114.1163.8-62.80000108.9
313K39.8Very low35.6Very low202 Ų202162.8 Ų162.888%0.87886%0.855SS**  trans171.9127.9165.9-98.9163.5-169.7-177.30104.6
314K39.5Very low35.8Very low190 Ų190162.9 Ų162.983%0.82686%0.863SS**  cis-157.9142.123.1-95.6166.7167.9179.50106.6Q316K314-Q316 PolarHBondContact O-N 2.88Å
315N36.1Very low36.1Very low167 Ų167163.3 Ų163.389%0.89386%0.864SS**  trans-64.3120.1152.1-75.9-26.5000108.5
316Q38.8Very low36.2Very low268 Ų268160 Ų160100%1.25287%0.871SS**  trans-1700143.2-104.7179.322.600108.6K314K314-Q316 PolarHBondContact O-N 2.88Å

Retrieved 316 of 316 residues in 61 ms (Link to these results)

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