A0A087Y5N3_POEFO Loading...

Gfo/Idh/MocA-like oxidoreductase domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y5N3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 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
1M79.8Confident93.1Very high154 Ų15425 Ų2576%0.75914%0.14SC*.  0133.90-179.3-174.2-72.100106.9R328M1-R328 VanDerWaalsContact SD-CZ 3.57Å; M1-R328 PolarHBondContact SD-NH2 3.27Å
2L93.6Very high92.1Very high33 Ų3331.6 Ų31.617%0.17317%0.174CC..PPolyproline II helixtrans-62150.4-178-65.7176.2000112F26 R319 F322L2-F26 HydrophobicContact CB-CD1 4.07Å; L2-F26 HydrophobicContact CB-CE1 4.25Å; L2-F26 HydrophobicContact CD1-CD1 4.31Å; L2-F26 HydrophobicContact CD1-CD2 4.46Å; L2-F26 HydrophobicContact CD1-CE1 4.42Å; L2-F26 HydrophobicContact CD1-CG 4.33Å; L2-F26 HydrophobicContact CD2-CE1 4.29Å; L2-F26 HydrophobicContact CD2-CZ 4.47Å; L2-R319 HydrophobicContact CD1-CG 4.14Å; L2-R319 HydrophobicContact CD2-CG 4.15Å; L2-F322 HydrophobicContact CD2-CB 3.78Å
3P95.6Very high91.5Very high0 Ų032.9 Ų32.90%018%0.183CC..PPolyproline II helixtrans-60145.1175.322.9-32.9000111.3F26 D65 L66 F322 R328P3-F26 HydrophobicContact CG-CD1 4.18Å; P3-F26 HydrophobicContact CG-CE1 3.82Å; P3-D65 HydrophobicContact CB-CB 3.68Å; P3-L66 HydrophobicContact CB-CB 4.02Å; P3-L66 HydrophobicContact CG-CB 4.1Å; P3-L66 HydrophobicContact CG-CD2 4.37Å; P3-F322 HydrophobicContact CG-CB 4.45Å; P3-F322 HydrophobicContact CG-CD1 3.85Å; P3-F322 HydrophobicContact CG-CD2 3.9Å; P3-F322 HydrophobicContact CG-CE1 4.01Å; P3-F322 HydrophobicContact CG-CE2 4.09Å; P3-F322 HydrophobicContact CG-CG 3.82Å; P3-F322 HydrophobicContact CG-CZ 4.15Å; P3-R328 WeakPolarHBondContact CB-O 3.48Å
4G97.3Very high91.3Very high3 Ų330.6 Ų30.63%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-74.1141.6164.900000110.4A27 D63 D65 L66G4-A27 CarbonylContact C-O 3.59Å; G4-A27 WeakPolarHBondContact CA-O 2.96Å; G4-D63 WeakPolarHBondContact CA-O 3.36Å; G4-D65 PolarHBondContact O-N 3.06Å; G4-L66 PolarHBondContact O-N 3.32Å; G4-L66 VanDerWaalsContact O-N 3.12Å
5V98.2Very high91.2Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-108.7130.7-170.6-173.10000111.1V7 L21 F26 A27 V28 K29 A30 L66 C68V5-V7 HydrophobicContact CG1-CG2 4.07Å; V5-L21 HydrophobicContact CG1-CD1 3.96Å; V5-F26 HydrophobicContact CG2-CB 3.86Å; V5-F26 HydrophobicContact CG2-CD1 3.78Å; V5-F26 HydrophobicContact CG2-CG 4.1Å; V5-A27 PolarHBondContact N-O 2.77Å; V5-V28 CarbonylContact O-C 3.55Å; V5-K29 PolarHBondContact O-N 2.68Å; V5-A30 PolarHBondContact O-N 2.65Å; V5-L66 CarbonylContact C-O 3.54Å; V5-L66 VanDerWaalsContact CA-O 3.28Å; V5-L66 WeakPolarHBondContact CA-O 3.09Å; V5-L66 HydrophobicContact CG2-CB 4.37Å; V5-L66 HydrophobicContact CG2-CD2 4.21Å; V5-C68 HydrophobicContact CG1-CB 4.47Å
6G98.1Very high91Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-100.3126165.600000109.8A30 L66 V67 C68G6-A30 WeakPolarHBondContact CA-O 3.5Å; G6-L66 PolarHBondContact N-O 2.98Å; G6-V67 CarbonylContact O-C 3.54Å; G6-V67 WeakPolarHBondContact O-CA 3.19Å; G6-C68 PolarHBondContact O-N 3.16Å
7V97.8Very high91Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-107.8129.3179.6179.20000109.6V5 A14 I18 L21 V28 A30 L31 W32 C68V5-V7 HydrophobicContact CG1-CG2 4.07Å; V7-A14 HydrophobicContact CG1-CB 4.42Å; V7-I18 HydrophobicContact CB-CG1 4.44Å; V7-I18 HydrophobicContact CG1-CD1 4.3Å; V7-I18 HydrophobicContact CG1-CG1 4.23Å; V7-I18 HydrophobicContact CG2-CG1 4.06Å; V7-L21 HydrophobicContact CG2-CD1 4.3Å; V7-V28 HydrophobicContact CG2-CG1 3.93Å; V7-A30 PolarHBondContact N-O 3.43Å; V7-L31 HydrophobicContact CB-CD1 3.97Å; V7-L31 HydrophobicContact CG1-CD1 4.01Å; V7-L31 WeakPolarHBondContact O-CA 3.5Å; V7-W32 PolarHBondContact O-N 3.44Å; V7-C68 HydrophobicContact CG2-CB 4.44Å
8F96.6Very high91.2Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-105.4114.7173.1-77.1-98.4000110.2W32 I55 V58 L59 V67 C68 N70 L71 I79F8-W32 HydrophobicContact CB-CE3 4.44Å; F8-W32 HydrophobicContact CD1-CB 3.39Å; F8-W32 AromaticContact CD1-CD2 3.63Å; F8-W32 HydrophobicContact CD1-CD2 3.63Å; F8-W32 AromaticContact CD1-CE3 3.85Å; F8-W32 HydrophobicContact CD1-CE3 3.85Å; F8-W32 AromaticContact CD1-CG 3.45Å; F8-W32 HydrophobicContact CD1-CG 3.45Å; F8-W32 VanDerWaalsContact CD1-CG 3.45Å; F8-W32 HydrophobicContact CE1-CB 3.59Å; F8-W32 AromaticContact CE1-CD1 3.95Å; F8-W32 HydrophobicContact CE1-CD2 4.07Å; F8-W32 AromaticContact CE1-CG 3.55Å; F8-W32 HydrophobicContact CE1-CG 3.55Å; F8-W32 HydrophobicContact CG-CB 3.97Å; F8-W32 HydrophobicContact CG-CG 4.45Å; F8-W32 HydrophobicContact CZ-CB 4.31Å; F8-I55 HydrophobicContact CE1-CB 4.27Å; F8-I55 HydrophobicContact CE1-CG1 4.24Å; F8-I55 HydrophobicContact CE1-CG2 3.94Å; F8-I55 HydrophobicContact CZ-CG2 4.23Å; F8-V58 HydrophobicContact CD2-CG1 4.37Å; F8-V58 HydrophobicContact CE1-CB 4.46Å; F8-V58 HydrophobicContact CE2-CB 4.08Å; F8-V58 HydrophobicContact CE2-CG1 3.51Å; F8-V58 HydrophobicContact CZ-CB 3.7Å; F8-V58 HydrophobicContact CZ-CG1 3.7Å; F8-L59 HydrophobicContact CE2-CD2 3.68Å; F8-L59 HydrophobicContact CE2-CG 4.39Å; F8-L59 HydrophobicContact CZ-CD2 3.65Å; F8-L59 HydrophobicContact CZ-CG 3.85Å; F8-V67 HydrophobicContact CD2-CG1 3.43Å; F8-V67 VanDerWaalsContact CD2-CG1 3.43Å; F8-V67 HydrophobicContact CE2-CG1 3.5Å; F8-V67 VanDerWaalsContact CE2-CG1 3.5Å; F8-C68 PolarHBondContact N-O 3.1Å; F8-N70 CarbonylContact O-C 3.56Å; F8-N70 WeakPolarHBondContact O-CA 3.38Å; F8-N70 PolarHBondContact O-N 3.19Å; F8-L71 HydrophobicContact CB-CD1 4.14Å; F8-L71 HydrophobicContact CB-CD2 4.23Å; F8-L71 HydrophobicContact CB-CG 4.01Å; F8-L71 WeakPolarHBondContact O-CD2 3.45Å; F8-I79 HydrophobicContact CB-CD1 4.42Å; F8-I79 HydrophobicContact CD1-CD1 3.38Å; F8-I79 HydrophobicContact CD1-CG2 4.05Å; F8-I79 HydrophobicContact CD2-CG2 4.01Å; F8-I79 HydrophobicContact CE1-CD1 3.8Å; F8-I79 HydrophobicContact CE1-CG2 4.02Å; F8-I79 HydrophobicContact CE2-CG2 3.97Å; F8-I79 HydrophobicContact CG-CD1 4.02Å; F8-I79 HydrophobicContact CG-CG2 4.04Å; F8-I79 HydrophobicContact CZ-CG2 3.97Å
9G91.9Very high91.3Very high3 Ų328.3 Ų28.33%0.03115%0.152CC..  trans123146.3175.400000113.1A14 W32G9-A14 WeakPolarHBondContact O-CB 3.18Å; G9-W32 PolarHBondContact N-O 3.11Å
10T90Very high91.3Very high33 Ų3327.3 Ų27.320%0.20215%0.146CC..  trans-114.416.1-178.648.20000112.3E38 L42T10-E38 HydrophobicContact CG2-CB 4.13Å; T10-E38 PolarHBondContact OG1-OE2 2.69Å; T10-L42 HydrophobicContact CG2-CB 4.39Å; T10-L42 HydrophobicContact CG2-CD2 4.07Å
11S85.2Confident91.5Very high49 Ų4926.1 Ų26.134%0.34314%0.14SC..SBendtrans-72.9173-176.9660000112.9T13 A14 R15 N70S11-T13 PolarHBondContact O-N 3.05Å; S11-A14 WeakPolarHBondContact O-CB 3.4Å; S11-A14 PolarHBondContact O-N 2.98Å; S11-R15 PolarHBondContact O-N 3.42Å; S11-N70 PolarHBondContact OG-O 2.98Å
12L81.2Confident92.2Very high104 Ų10422.1 Ų22.155%0.54512%0.119SC..Hα-helixtrans-54-38.7171.8-69.5173.2000111.9A14 R15 V16L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.3Å; L12-R15 WeakPolarHBondContact O-CB 3.46Å; L12-R15 PolarHBondContact O-N 2.86Å; L12-R15 VanDerWaalsContact O-N 3.12Å; L12-V16 PolarHBondContact O-N 3.48Å
13T84.6Confident92.1Very high49 Ų4924.3 Ų24.330%0.30113%0.13SC..Hα-helixtrans-59.3-40.7175.6-46.90000111.9S11 R15 V16 I17S11-T13 PolarHBondContact O-N 3.05Å; T13-R15 VanDerWaalsContact C-N 3.34Å; T13-R15 PolarHBondContact O-N 3.1Å; T13-V16 PolarHBondContact O-N 3.17Å; T13-V16 VanDerWaalsContact O-N 3.16Å; T13-I17 HydrophobicContact CG2-CD1 3.75Å; T13-I17 HydrophobicContact CG2-CG1 4.32Å; T13-I17 WeakPolarHBondContact O-CB 3.43Å; T13-I17 PolarHBondContact O-N 3.24Å
14A88.6Confident92Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-65.3-37.6176.500000112.2V7 G9 S11 L12 V16 I17 I18 L42V7-A14 HydrophobicContact CG1-CB 4.42Å; G9-A14 WeakPolarHBondContact O-CB 3.18Å; S11-A14 WeakPolarHBondContact O-CB 3.4Å; S11-A14 PolarHBondContact O-N 2.98Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.3Å; A14-V16 PolarHBondContact O-N 3.16Å; A14-I17 PolarHBondContact O-N 2.94Å; A14-I18 HydrophobicContact CB-CD1 4.47Å; A14-I18 WeakPolarHBondContact O-CB 3.45Å; A14-I18 WeakPolarHBondContact O-CD1 3.21Å; A14-I18 VanDerWaalsContact O-CG1 3.28Å; A14-I18 WeakPolarHBondContact O-CG1 3.5Å; A14-I18 PolarHBondContact O-N 2.83Å; A14-L42 HydrophobicContact CB-CD2 4.13Å
15R89.3Confident91.9Very high67 Ų6728 Ų2825%0.25316%0.16SC..Hα-helixtrans-64.9-18.7174.7-68.5167.5177.8-91.1-5.7113.4S11 L12 T13 P19 L42 E45 M46S11-R15 PolarHBondContact O-N 3.42Å; L12-R15 WeakPolarHBondContact O-CB 3.46Å; L12-R15 PolarHBondContact O-N 2.86Å; L12-R15 VanDerWaalsContact O-N 3.12Å; T13-R15 VanDerWaalsContact C-N 3.34Å; T13-R15 PolarHBondContact O-N 3.1Å; R15-P19 VanDerWaalsContact O-CD 3.22Å; R15-P19 WeakPolarHBondContact O-CD 3.39Å; R15-P19 WeakPolarHBondContact O-CG 3.38Å; R15-L42 HydrophobicContact CG-CD1 3.56Å; R15-E45 IonicContact CZ-OE1 3.35Å; R15-E45 IonicContact CZ-OE2 2.77Å; R15-E45 VanDerWaalsContact CZ-OE2 3.32Å; R15-E45 IonicContact NH1-OE1 3.57Å; R15-E45 PolarHBondContact NH1-OE1 3.34Å; R15-E45 IonicContact NH1-OE2 3.97Å; R15-E45 PolarHBondContact NH1-OE2 3.45Å; R15-E45 IonicContact NH2-OE2 3.38Å; R15-E45 PolarHBondContact NH2-OE2 3.27Å; R15-M46 HydrophobicContact CB-CE 4.46Å; R15-M46 HydrophobicContact CG-CE 4.48Å
16V88.5Confident91.8Very high7 Ų728.2 Ų28.24%0.04216%0.161CC..Hα-helixtrans-94.9-47.5173.5176.50000111.4L12 T13 A14 I18 P19 L20 L295 A299 I303 L308L12-V16 PolarHBondContact O-N 3.48Å; T13-V16 PolarHBondContact O-N 3.17Å; T13-V16 VanDerWaalsContact O-N 3.16Å; A14-V16 PolarHBondContact O-N 3.16Å; V16-I18 PolarHBondContact O-N 3.2Å; V16-P19 WeakPolarHBondContact O-CD 3.32Å; V16-L20 HydrophobicContact CG1-CD1 3.89Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 VanDerWaalsContact O-CG 3.31Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; V16-L20 PolarHBondContact O-N 3.24Å; V16-L295 HydrophobicContact CG1-CD2 4.05Å; V16-A299 HydrophobicContact CG2-CB 3.58Å; V16-I303 HydrophobicContact CB-CD1 4.06Å; V16-I303 HydrophobicContact CG1-CD1 4.13Å; V16-I303 HydrophobicContact CG2-CD1 3.67Å; V16-L308 HydrophobicContact CG1-CD1 3.71Å
17I91.1Very high91.7Very high19 Ų1930.4 Ų30.410%0.09718%0.179CC..Hα-helixtrans-65.6-38.7-176.2-76.8177.9000112.3T13 A14 L20 L21 N70 T311T13-I17 HydrophobicContact CG2-CD1 3.75Å; T13-I17 HydrophobicContact CG2-CG1 4.32Å; T13-I17 WeakPolarHBondContact O-CB 3.43Å; T13-I17 PolarHBondContact O-N 3.24Å; A14-I17 PolarHBondContact O-N 2.94Å; I17-L20 PolarHBondContact O-N 3.35Å; I17-L21 HydrophobicContact CG2-CD1 3.49Å; I17-L21 VanDerWaalsContact CG2-CD1 3.49Å; I17-L21 HydrophobicContact CG2-CG 3.96Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 2.97Å; I17-N70 VanDerWaalsContact CD1-OD1 3.27Å; I17-N70 WeakPolarHBondContact CD1-OD1 3.48Å; I17-T311 HydrophobicContact CG1-CG2 4.24Å
18I94.3Very high91.7Very high0 Ų030.7 Ų30.70%018%0.181CC..Hα-helixtrans-61.7-51.6-178.4-68.9164.9000111.5V7 A14 V16 L20 L21 K22 V28 L31 L42 M46 V48V7-I18 HydrophobicContact CB-CG1 4.44Å; V7-I18 HydrophobicContact CG1-CD1 4.3Å; V7-I18 HydrophobicContact CG1-CG1 4.23Å; V7-I18 HydrophobicContact CG2-CG1 4.06Å; A14-I18 HydrophobicContact CB-CD1 4.47Å; A14-I18 WeakPolarHBondContact O-CB 3.45Å; A14-I18 WeakPolarHBondContact O-CD1 3.21Å; A14-I18 VanDerWaalsContact O-CG1 3.28Å; A14-I18 WeakPolarHBondContact O-CG1 3.5Å; A14-I18 PolarHBondContact O-N 2.83Å; V16-I18 PolarHBondContact O-N 3.2Å; I18-L20 PolarHBondContact O-N 2.86Å; I18-L21 PolarHBondContact O-N 3.44Å; I18-K22 HydrophobicContact CG2-CD 4.35Å; I18-K22 WeakPolarHBondContact O-CG 3.48Å; I18-K22 PolarHBondContact O-N 3.47Å; I18-V28 HydrophobicContact CG2-CG1 4.48Å; I18-V28 HydrophobicContact CG2-CG2 4.27Å; I18-L31 HydrophobicContact CD1-CD1 4.03Å; I18-L42 HydrophobicContact CD1-CD2 4.32Å; I18-M46 HydrophobicContact CD1-CG 4.46Å; I18-M46 HydrophobicContact CG2-CB 3.82Å; I18-M46 HydrophobicContact CG2-CG 4.2Å; I18-M46 HydrophobicContact CG2-SD 4.38Å; I18-V48 HydrophobicContact CG2-CG2 4.45Å
19P92.4Very high91.8Very high17 Ų1733.6 Ų33.611%0.1119%0.193CC..Hα-helixtrans-58.3-41.9172.8-27.534.9000113.8R15 V16 K22 N23 M46 L295R15-P19 VanDerWaalsContact O-CD 3.22Å; R15-P19 WeakPolarHBondContact O-CD 3.39Å; R15-P19 WeakPolarHBondContact O-CG 3.38Å; V16-P19 WeakPolarHBondContact O-CD 3.32Å; P19-K22 PolarHBondContact O-N 3.39Å; P19-N23 WeakPolarHBondContact O-CB 3.31Å; P19-N23 VanDerWaalsContact O-CG 3.22Å; P19-N23 PolarHBondContact O-N 3.47Å; P19-N23 PolarHBondContact O-ND2 2.92Å; P19-M46 HydrophobicContact CG-SD 3.77Å; P19-L295 HydrophobicContact CB-CD2 4.18Å
20L91.8Very high92Very high7 Ų733.4 Ų33.44%0.03719%0.192CC..Hα-helixtrans-62.1-45.8179-70.1-179.3000112.3V16 I17 I18 K22 N23 E24 A293 L295 L308 T311 I312 I315V16-L20 HydrophobicContact CG1-CD1 3.89Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 VanDerWaalsContact O-CG 3.31Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; V16-L20 PolarHBondContact O-N 3.24Å; I17-L20 PolarHBondContact O-N 3.35Å; I18-L20 PolarHBondContact O-N 2.86Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 2.78Å; L20-N23 PolarHBondContact O-N 2.94Å; L20-E24 PolarHBondContact O-N 2.8Å; L20-A293 HydrophobicContact CD2-CB 3.8Å; L20-L295 HydrophobicContact CD2-CD1 4.12Å; L20-L295 HydrophobicContact CD2-CD2 3.93Å; L20-L295 HydrophobicContact CD2-CG 4.22Å; L20-L295 HydrophobicContact CG-CD2 4Å; L20-L308 HydrophobicContact CD1-CD1 4.41Å; L20-T311 HydrophobicContact CD1-CG2 3.89Å; L20-I312 HydrophobicContact CD1-CG1 3.89Å; L20-I312 HydrophobicContact CD2-CD1 4.34Å; L20-I312 HydrophobicContact CD2-CG1 3.75Å; L20-I312 HydrophobicContact CG-CG1 4.47Å; L20-I315 HydrophobicContact CB-CD1 3.52Å; L20-I315 HydrophobicContact CD1-CD1 4.01Å; L20-I315 HydrophobicContact CG-CD1 4.42Å
21L95.1Very high92.4Very high3 Ų331.9 Ų31.92%0.01618%0.182CC..Hα-helixtrans-57.8-46.7175.1-75.1168.8000111.1V5 V7 I17 I18 E24 G25 F26 V28 I315V5-L21 HydrophobicContact CG1-CD1 3.96Å; V7-L21 HydrophobicContact CG2-CD1 4.3Å; I17-L21 HydrophobicContact CG2-CD1 3.49Å; I17-L21 VanDerWaalsContact CG2-CD1 3.49Å; I17-L21 HydrophobicContact CG2-CG 3.96Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 2.97Å; I18-L21 PolarHBondContact O-N 3.44Å; L21-E24 CarbonylContact O-C 3.59Å; L21-E24 PolarHBondContact O-N 3.4Å; L21-G25 PolarHBondContact O-N 3.32Å; L21-F26 HydrophobicContact CB-CB 4.11Å; L21-F26 HydrophobicContact CB-CD2 4.5Å; L21-F26 HydrophobicContact CD2-CB 4.36Å; L21-F26 HydrophobicContact CD2-CD2 3.8Å; L21-F26 HydrophobicContact CD2-CE2 4.26Å; L21-F26 HydrophobicContact CD2-CG 4.1Å; L21-F26 WeakPolarHBondContact O-CB 3.45Å; L21-F26 PolarHBondContact O-N 2.84Å; L21-V28 HydrophobicContact CB-CG2 4.11Å; L21-V28 HydrophobicContact CD1-CG2 4.27Å; L21-I315 HydrophobicContact CD2-CG1 4.5Å; L21-I315 HydrophobicContact CD2-CG2 4.02Å; L21-I315 HydrophobicContact CG-CD1 4.47Å
22K95.1Very high93Very high71 Ų7130.6 Ų30.631%0.30917%0.17SC..Hα-helixtrans-63.8-41.8178.9-73.3-175.4171.7-159.70112.6I18 P19 L20 E24 G25 V28 M46 N47I18-K22 HydrophobicContact CG2-CD 4.35Å; I18-K22 WeakPolarHBondContact O-CG 3.48Å; I18-K22 PolarHBondContact O-N 3.47Å; P19-K22 PolarHBondContact O-N 3.39Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 2.78Å; K22-E24 VanDerWaalsContact C-N 3.25Å; K22-E24 PolarHBondContact O-N 2.92Å; K22-G25 WeakPolarHBondContact O-CA 3.32Å; K22-G25 PolarHBondContact O-N 2.94Å; K22-V28 HydrophobicContact CG-CG2 4.05Å; K22-M46 PolarHBondContact NZ-O 2.84Å; K22-N47 PolarHBondContact NZ-O 2.83Å
23N92.4Very high93.6Very high79 Ų7925.7 Ų25.742%0.42214%0.144SC..Hα-helixtrans-63.7-32.5177.2-72.7-13.8000112.1P19 L20 G25 S294P19-N23 WeakPolarHBondContact O-CB 3.31Å; P19-N23 VanDerWaalsContact O-CG 3.22Å; P19-N23 PolarHBondContact O-N 3.47Å; P19-N23 PolarHBondContact O-ND2 2.92Å; L20-N23 PolarHBondContact O-N 2.94Å; N23-G25 PolarHBondContact O-N 3.49Å; N23-S294 PolarHBondContact ND2-N 2.79Å
24E93.1Very high93.9Very high30 Ų3028 Ų2814%0.1415%0.148CC..THydrogen-bonded Turntrans-83.76.6173.2-68.1-62.9160.400113.4L20 L21 K22 F26 I315 Q316 R319L20-E24 PolarHBondContact O-N 2.8Å; L21-E24 CarbonylContact O-C 3.59Å; L21-E24 PolarHBondContact O-N 3.4Å; K22-E24 VanDerWaalsContact C-N 3.25Å; K22-E24 PolarHBondContact O-N 2.92Å; E24-F26 HydrophobicContact CB-CD2 4.23Å; E24-F26 HydrophobicContact CB-CE2 4.39Å; E24-I315 HydrophobicContact CB-CG2 3.94Å; E24-I315 HydrophobicContact CG-CG2 3.84Å; E24-Q316 HydrophobicContact CG-CG 4.29Å; E24-Q316 VanDerWaalsContact OE1-CG 3.22Å; E24-Q316 WeakPolarHBondContact OE1-CG 3.43Å; E24-Q316 PolarHBondContact OE1-NE2 3.24Å; E24-R319 VanDerWaalsContact O-CD 3.32Å; E24-R319 WeakPolarHBondContact O-CD 3.23Å; E24-R319 VanDerWaalsContact OE2-CD 3.32Å; E24-R319 WeakPolarHBondContact OE2-CD 3.21Å; E24-R319 IonicContact OE2-CZ 2.98Å; E24-R319 IonicContact OE2-NH1 3.83Å; E24-R319 PolarHBondContact OE2-NH1 2.89Å
25G94.1Very high94Very high50 Ų5030.3 Ų30.352%0.51516%0.161SC..THydrogen-bonded Turntrans89.33.7172.300000115.5L21 K22 N23L21-G25 PolarHBondContact O-N 3.32Å; K22-G25 WeakPolarHBondContact O-CA 3.32Å; K22-G25 PolarHBondContact O-N 2.94Å; N23-G25 PolarHBondContact O-N 3.49Å
26F96.4Very high94.3Very high5 Ų530.6 Ų30.62%0.02217%0.165CC..  trans-71.3137.3174.2-69.3-85.7000111.3L2 P3 V5 L21 E24 V28 L66 I315 V318 R319L2-F26 HydrophobicContact CB-CD1 4.07Å; L2-F26 HydrophobicContact CB-CE1 4.25Å; L2-F26 HydrophobicContact CD1-CD1 4.31Å; L2-F26 HydrophobicContact CD1-CD2 4.46Å; L2-F26 HydrophobicContact CD1-CE1 4.42Å; L2-F26 HydrophobicContact CD1-CG 4.33Å; L2-F26 HydrophobicContact CD2-CE1 4.29Å; L2-F26 HydrophobicContact CD2-CZ 4.47Å; P3-F26 HydrophobicContact CG-CD1 4.18Å; P3-F26 HydrophobicContact CG-CE1 3.82Å; V5-F26 HydrophobicContact CG2-CB 3.86Å; V5-F26 HydrophobicContact CG2-CD1 3.78Å; V5-F26 HydrophobicContact CG2-CG 4.1Å; L21-F26 HydrophobicContact CB-CB 4.11Å; L21-F26 HydrophobicContact CB-CD2 4.5Å; L21-F26 HydrophobicContact CD2-CB 4.36Å; L21-F26 HydrophobicContact CD2-CD2 3.8Å; L21-F26 HydrophobicContact CD2-CE2 4.26Å; L21-F26 HydrophobicContact CD2-CG 4.1Å; L21-F26 WeakPolarHBondContact O-CB 3.45Å; L21-F26 PolarHBondContact O-N 2.84Å; E24-F26 HydrophobicContact CB-CD2 4.23Å; E24-F26 HydrophobicContact CB-CE2 4.39Å; F26-V28 PolarHBondContact O-N 2.96Å; F26-L66 HydrophobicContact CE1-CD2 4.32Å; F26-I315 HydrophobicContact CD2-CG2 4.39Å; F26-I315 HydrophobicContact CE2-CG2 4.07Å; F26-V318 HydrophobicContact CZ-CG1 3.93Å; F26-R319 HydrophobicContact CE2-CB 3.82Å; F26-R319 HydrophobicContact CE2-CG 4.5Å; F26-R319 HydrophobicContact CZ-CB 4Å
27A96.3Very high94.6Very high45 Ų4537.2 Ų37.237%0.37220%0.196SC..EExtended strand (participates in β ladder)trans-86.610517200000109.8G4 V5 K29G4-A27 CarbonylContact C-O 3.59Å; G4-A27 WeakPolarHBondContact CA-O 2.96Å; V5-A27 PolarHBondContact N-O 2.77Å; A27-K29 HydrophobicContact CB-CD 4.22Å; A27-K29 PolarHBondContact O-N 3.06Å
28V97.8Very high94.7Very high6 Ų640 Ų404%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-75.1106.2171.7-175.10000108.7V5 V7 I18 L21 K22 F26 V48 P49V5-V28 CarbonylContact O-C 3.55Å; V7-V28 HydrophobicContact CG2-CG1 3.93Å; I18-V28 HydrophobicContact CG2-CG1 4.48Å; I18-V28 HydrophobicContact CG2-CG2 4.27Å; L21-V28 HydrophobicContact CB-CG2 4.11Å; L21-V28 HydrophobicContact CD1-CG2 4.27Å; K22-V28 HydrophobicContact CG-CG2 4.05Å; F26-V28 PolarHBondContact O-N 2.96Å; V28-V48 HydrophobicContact CG1-CG1 4.23Å; V28-V48 HydrophobicContact CG1-CG2 3.94Å; V28-P49 WeakPolarHBondContact O-CD 3.4Å
29K97.9Very high94.8Very high61 Ų6140 Ų4027%0.26521%0.208SC..EExtended strand (participates in β ladder)trans-93.6-35.5-170.5-64.9-62.8-170.1169.70113.2V5 A27 P49 F50 D63 V64V5-K29 PolarHBondContact O-N 2.68Å; A27-K29 HydrophobicContact CB-CD 4.22Å; A27-K29 PolarHBondContact O-N 3.06Å; K29-P49 WeakPolarHBondContact O-CG 3.01Å; K29-F50 WeakPolarHBondContact O-CB 3.39Å; K29-F50 PolarHBondContact O-N 2.8Å; K29-D63 HydrophobicContact CB-CB 4.39Å; K29-D63 HydrophobicContact CD-CB 4Å; K29-D63 HydrophobicContact CG-CB 3.83Å; K29-D63 WeakPolarHBondContact CG-O 3.31Å; K29-V64 HydrophobicContact CB-CG2 3.94Å
30A98Very high95Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-141.5141-172.300000111V5 G6 V7 F50 V58 V64V5-A30 PolarHBondContact O-N 2.65Å; G6-A30 WeakPolarHBondContact CA-O 3.5Å; V7-A30 PolarHBondContact N-O 3.43Å; A30-F50 CarbonylContact C-O 3.56Å; A30-F50 WeakPolarHBondContact CA-O 3.3Å; A30-F50 HydrophobicContact CB-CB 4.49Å; A30-F50 HydrophobicContact CB-CD1 3.79Å; A30-V58 HydrophobicContact CB-CB 4.35Å; A30-V58 HydrophobicContact CB-CG1 3.8Å; A30-V58 HydrophobicContact CB-CG2 4.14Å; A30-V64 HydrophobicContact CB-CG2 3.89Å
31L97.9Very high95.2Very high0 Ų047.5 Ų47.50%024%0.242CC..EExtended strand (participates in β ladder)trans-124128.6175-179.968.5000110.1V7 I18 L42 A43 V48 F50 Y51 T52V7-L31 HydrophobicContact CB-CD1 3.97Å; V7-L31 HydrophobicContact CG1-CD1 4.01Å; V7-L31 WeakPolarHBondContact O-CA 3.5Å; I18-L31 HydrophobicContact CD1-CD1 4.03Å; L31-L42 HydrophobicContact CD1-CD2 4.39Å; L31-L42 HydrophobicContact CD2-CB 3.83Å; L31-L42 HydrophobicContact CD2-CD2 3.95Å; L31-L42 HydrophobicContact CD2-CG 3.81Å; L31-A43 HydrophobicContact CD2-CB 4.04Å; L31-V48 HydrophobicContact CB-CB 4.49Å; L31-V48 HydrophobicContact CB-CG1 3.98Å; L31-F50 PolarHBondContact N-O 3.27Å; L31-Y51 VanDerWaalsContact O-CA 3.26Å; L31-Y51 WeakPolarHBondContact O-CA 3.41Å; L31-T52 PolarHBondContact O-N 3.27Å; L31-T52 VanDerWaalsContact O-N 3.16Å
32W97.6Very high95.1Very high23 Ų2347.4 Ų47.49%0.08724%0.242CC..EExtended strand (participates in β ladder)trans-101.1130.6169.6-178.488.1000110.3V7 F8 G9 R34 T52 N53 I55 V58 L71V7-W32 PolarHBondContact O-N 3.44Å; F8-W32 HydrophobicContact CB-CE3 4.44Å; F8-W32 HydrophobicContact CD1-CB 3.39Å; F8-W32 AromaticContact CD1-CD2 3.63Å; F8-W32 HydrophobicContact CD1-CD2 3.63Å; F8-W32 AromaticContact CD1-CE3 3.85Å; F8-W32 HydrophobicContact CD1-CE3 3.85Å; F8-W32 AromaticContact CD1-CG 3.45Å; F8-W32 HydrophobicContact CD1-CG 3.45Å; F8-W32 VanDerWaalsContact CD1-CG 3.45Å; F8-W32 HydrophobicContact CE1-CB 3.59Å; F8-W32 AromaticContact CE1-CD1 3.95Å; F8-W32 HydrophobicContact CE1-CD2 4.07Å; F8-W32 AromaticContact CE1-CG 3.55Å; F8-W32 HydrophobicContact CE1-CG 3.55Å; F8-W32 HydrophobicContact CG-CB 3.97Å; F8-W32 HydrophobicContact CG-CG 4.45Å; F8-W32 HydrophobicContact CZ-CB 4.31Å; G9-W32 PolarHBondContact N-O 3.11Å; W32-R34 HydrophobicContact CH2-CB 4.33Å; W32-T52 WeakPolarHBondContact CA-O 3.26Å; W32-N53 PolarHBondContact NE1-O 3.43Å; W32-I55 HydrophobicContact CZ2-CG1 4.25Å; W32-V58 HydrophobicContact CB-CG2 3.88Å; W32-L71 HydrophobicContact CE3-CD1 4.23Å; W32-L71 HydrophobicContact CE3-CD2 3.8Å; W32-L71 HydrophobicContact CH2-CD1 4.41Å; W32-L71 HydrophobicContact CZ3-CD1 3.82Å; W32-L71 HydrophobicContact CZ3-CD2 3.42Å; W32-L71 VanDerWaalsContact CZ3-CD2 3.42Å; W32-L71 HydrophobicContact CZ3-CG 4.29Å
33G94.5Very high95.2Very high0 Ų044.1 Ų44.10%023%0.228CC..  trans-119.8162.916900000111.2T52 N53G33-T52 PolarHBondContact N-O 2.87Å; G33-N53 WeakPolarHBondContact O-CA 3.36Å
34R88.9Confident95.4Very high99 Ų9946.5 Ų46.537%0.37423%0.234SC..SBendtrans-67.3-42.6179.1-174.4-177.3-171.51765.5111.2W32 M391 Y394 C395W32-R34 HydrophobicContact CH2-CB 4.33Å; R34-M391 PolarHBondContact NH2-O 3.18Å; R34-Y394 PolarHBondContact NH1-O 2.84Å; R34-C395 PolarHBondContact NH2-SG 2.81Å
35T92.5Very high95.4Very high47 Ų4749.2 Ų49.229%0.28825%0.247SC..SBendtrans-109.5157.9170.872.80000109.9E37 E38 A39T35-E37 PolarHBondContact O-N 3.26Å; T35-E38 VanDerWaalsContact OG1-CG 3.31Å; T35-E38 WeakPolarHBondContact OG1-CG 3.23Å; T35-E38 PolarHBondContact OG1-N 3.04Å; T35-E38 VanDerWaalsContact OG1-N 3.14Å; T35-A39 PolarHBondContact O-N 3.2Å
36Q94.3Very high95.4Very high73 Ų7347.9 Ų47.934%0.34123%0.228SC..Hα-helixtrans-62.4-37.6176.7-17364.519.900110.9A39 E40 Y51 N53Q36-A39 PolarHBondContact O-N 3.35Å; Q36-E40 VanDerWaalsContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CB 3.1Å; Q36-E40 PolarHBondContact O-N 3.32Å; Q36-Y51 VanDerWaalsContact NE2-CE2 3.32Å; Q36-N53 VanDerWaalsContact OE1-N 3.16Å
37E95.5Very high95.4Very high147 Ų14753.9 Ų53.969%0.68726%0.26SS*.Hα-helixtrans-64.9-47.2179.9-63.9136.2-179.400112T35 A39 E40 E41T35-E37 PolarHBondContact O-N 3.26Å; E37-A39 VanDerWaalsContact C-N 3.3Å; E37-A39 PolarHBondContact O-N 2.98Å; E37-E40 PolarHBondContact O-N 2.86Å; E37-E41 WeakPolarHBondContact O-CB 3.39Å; E37-E41 PolarHBondContact O-N 2.82Å
38E93.1Very high95.4Very high76 Ų7652.1 Ų52.136%0.35525%0.245SC..Hα-helixtrans-61.8-40177.1-74.2175.8-177.500111.7T10 T35 L42T10-E38 HydrophobicContact CG2-CB 4.13Å; T10-E38 PolarHBondContact OG1-OE2 2.69Å; T35-E38 VanDerWaalsContact OG1-CG 3.31Å; T35-E38 WeakPolarHBondContact OG1-CG 3.23Å; T35-E38 PolarHBondContact OG1-N 3.04Å; T35-E38 VanDerWaalsContact OG1-N 3.14Å; E38-L42 PolarHBondContact O-N 3.28Å
39A95.3Very high95.4Very high0 Ų056.6 Ų56.60%027%0.274CS..Hα-helixtrans-64.9-45177.100000110.9T35 Q36 E37 A43 Y51T35-A39 PolarHBondContact O-N 3.2Å; Q36-A39 PolarHBondContact O-N 3.35Å; E37-A39 VanDerWaalsContact C-N 3.3Å; E37-A39 PolarHBondContact O-N 2.98Å; A39-A43 WeakPolarHBondContact O-CB 3.46Å; A39-A43 PolarHBondContact O-N 3.49Å; A39-Y51 HydrophobicContact CB-CD2 4.34Å
40E97.1Very high95.4Very high59 Ų5956.9 Ų56.928%0.27628%0.275SS..Hα-helixtrans-63.5-46.8179.1-177.1166.8179.800112.4Q36 E37 A43 K44 Y51Q36-E40 VanDerWaalsContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CB 3.1Å; Q36-E40 PolarHBondContact O-N 3.32Å; E37-E40 PolarHBondContact O-N 2.86Å; E40-A43 PolarHBondContact O-N 3Å; E40-K44 HydrophobicContact CG-CD 4.14Å; E40-K44 WeakPolarHBondContact O-CB 3.23Å; E40-K44 WeakPolarHBondContact O-CG 3.28Å; E40-K44 PolarHBondContact O-N 3.47Å; E40-K44 WeakPolarHBondContact OE1-CE 3.33Å; E40-K44 IonicContact OE1-NZ 3.86Å; E40-K44 PolarHBondContact OE1-NZ 3.12Å; E40-Y51 HydrophobicContact CB-CD2 3.79Å; E40-Y51 HydrophobicContact CB-CE2 3.37Å; E40-Y51 HydrophobicContact CG-CD2 4.42Å; E40-Y51 HydrophobicContact CG-CE1 4.41Å; E40-Y51 HydrophobicContact CG-CE2 3.62Å; E40-Y51 PolarHBondContact OE1-OH 3.06Å
41E95.7Very high95.4Very high123 Ų12360 Ų6058%0.57529%0.287SS*.Hα-helixtrans-58.6-53.2-179.2-174.7-178177.600110.8E37 K44 E45E37-E41 WeakPolarHBondContact O-CB 3.39Å; E37-E41 PolarHBondContact O-N 2.82Å; E41-K44 PolarHBondContact O-N 3.38Å; E41-E45 WeakPolarHBondContact O-CB 3.38Å; E41-E45 PolarHBondContact O-N 2.98Å
42L94.6Very high95.4Very high2 Ų260.3 Ų60.31%0.0129%0.289CS..Hα-helixtrans-69.8-35-179.1-177.861.9000112.3T10 A14 R15 I18 L31 E38 E45 M46T10-L42 HydrophobicContact CG2-CB 4.39Å; T10-L42 HydrophobicContact CG2-CD2 4.07Å; A14-L42 HydrophobicContact CB-CD2 4.13Å; R15-L42 HydrophobicContact CG-CD1 3.56Å; I18-L42 HydrophobicContact CD1-CD2 4.32Å; L31-L42 HydrophobicContact CD1-CD2 4.39Å; L31-L42 HydrophobicContact CD2-CB 3.83Å; L31-L42 HydrophobicContact CD2-CD2 3.95Å; L31-L42 HydrophobicContact CD2-CG 3.81Å; E38-L42 PolarHBondContact O-N 3.28Å; L42-E45 PolarHBondContact O-N 3.27Å; L42-M46 HydrophobicContact CD1-CE 4.3Å; L42-M46 HydrophobicContact CD1-CG 3.6Å; L42-M46 HydrophobicContact CG-CG 4.24Å; L42-M46 VanDerWaalsContact O-CB 3.31Å; L42-M46 WeakPolarHBondContact O-CB 3.36Å; L42-M46 WeakPolarHBondContact O-CG 3.42Å; L42-M46 PolarHBondContact O-N 3.28Å
43A96.3Very high95.3Very high2 Ų262.7 Ų62.72%0.01730%0.304CS..Hα-helixtrans-63.9-41.2176.700000112L31 A39 E40 N47 V48 Y51L31-A43 HydrophobicContact CD2-CB 4.04Å; A39-A43 WeakPolarHBondContact O-CB 3.46Å; A39-A43 PolarHBondContact O-N 3.49Å; E40-A43 PolarHBondContact O-N 3Å; A43-N47 CarbonylContact O-C 3.55Å; A43-N47 WeakPolarHBondContact O-CA 3.45Å; A43-N47 PolarHBondContact O-N 2.9Å; A43-V48 HydrophobicContact CB-CB 4.09Å; A43-V48 PolarHBondContact O-N 3.34Å; A43-Y51 HydrophobicContact CB-CD1 3.67Å; A43-Y51 HydrophobicContact CB-CG 3.86Å
44K95.8Very high95.3Very high128 Ų12870.1 Ų70.156%0.55733%0.332SS*.Hα-helixtrans-64.7-48.3174.4-74.5176.4-176.3171.90111.4E40 E41 M46 N47E40-K44 HydrophobicContact CG-CD 4.14Å; E40-K44 WeakPolarHBondContact O-CB 3.23Å; E40-K44 WeakPolarHBondContact O-CG 3.28Å; E40-K44 PolarHBondContact O-N 3.47Å; E40-K44 WeakPolarHBondContact OE1-CE 3.33Å; E40-K44 IonicContact OE1-NZ 3.86Å; E40-K44 PolarHBondContact OE1-NZ 3.12Å; E41-K44 PolarHBondContact O-N 3.38Å; K44-M46 VanDerWaalsContact C-N 3.27Å; K44-M46 PolarHBondContact O-N 3.48Å; K44-N47 PolarHBondContact O-N 3.48Å
45E93.8Very high95.6Very high87 Ų8767.1 Ų67.141%0.40732%0.322SS..Hα-helixtrans-57.3-42.9178.9-174.1-173.6148.800112R15 E41 L42R15-E45 IonicContact CZ-OE1 3.35Å; R15-E45 IonicContact CZ-OE2 2.77Å; R15-E45 VanDerWaalsContact CZ-OE2 3.32Å; R15-E45 IonicContact NH1-OE1 3.57Å; R15-E45 PolarHBondContact NH1-OE1 3.34Å; R15-E45 IonicContact NH1-OE2 3.97Å; R15-E45 PolarHBondContact NH1-OE2 3.45Å; R15-E45 IonicContact NH2-OE2 3.38Å; R15-E45 PolarHBondContact NH2-OE2 3.27Å; E41-E45 WeakPolarHBondContact O-CB 3.38Å; E41-E45 PolarHBondContact O-N 2.98Å; L42-E45 PolarHBondContact O-N 3.27Å
46M94Very high95.8Very high23 Ų2368.4 Ų68.411%0.11333%0.328CS..Hα-helixtrans-96.12.9-174.1-64-70.114900113.4R15 I18 P19 K22 L42 K44 V48R15-M46 HydrophobicContact CB-CE 4.46Å; R15-M46 HydrophobicContact CG-CE 4.48Å; I18-M46 HydrophobicContact CD1-CG 4.46Å; I18-M46 HydrophobicContact CG2-CB 3.82Å; I18-M46 HydrophobicContact CG2-CG 4.2Å; I18-M46 HydrophobicContact CG2-SD 4.38Å; P19-M46 HydrophobicContact CG-SD 3.77Å; K22-M46 PolarHBondContact NZ-O 2.84Å; L42-M46 HydrophobicContact CD1-CE 4.3Å; L42-M46 HydrophobicContact CD1-CG 3.6Å; L42-M46 HydrophobicContact CG-CG 4.24Å; L42-M46 VanDerWaalsContact O-CB 3.31Å; L42-M46 WeakPolarHBondContact O-CB 3.36Å; L42-M46 WeakPolarHBondContact O-CG 3.42Å; L42-M46 PolarHBondContact O-N 3.28Å; K44-M46 VanDerWaalsContact C-N 3.27Å; K44-M46 PolarHBondContact O-N 3.48Å; M46-V48 HydrophobicContact CB-CG2 4.2Å
47N95.7Very high95.9Very high130 Ų13067.7 Ų67.770%0.69533%0.326SS*.THydrogen-bonded Turntrans53.354.5-174.8-59.5-70.4000113.2K22 A43 K44K22-N47 PolarHBondContact NZ-O 2.83Å; A43-N47 CarbonylContact O-C 3.55Å; A43-N47 WeakPolarHBondContact O-CA 3.45Å; A43-N47 PolarHBondContact O-N 2.9Å; K44-N47 PolarHBondContact O-N 3.48Å
48V97.4Very high96Very high9 Ų960.7 Ų60.76%0.05529%0.294CS..  trans-97.4127.8172.6-178.30000108.8I18 V28 L31 A43 M46 F50I18-V48 HydrophobicContact CG2-CG2 4.45Å; V28-V48 HydrophobicContact CG1-CG1 4.23Å; V28-V48 HydrophobicContact CG1-CG2 3.94Å; L31-V48 HydrophobicContact CB-CB 4.49Å; L31-V48 HydrophobicContact CB-CG1 3.98Å; A43-V48 HydrophobicContact CB-CB 4.09Å; A43-V48 PolarHBondContact O-N 3.34Å; M46-V48 HydrophobicContact CB-CG2 4.2Å; V48-F50 WeakPolarHBondContact CG1-O 3.33Å; V48-F50 PolarHBondContact O-N 3.45Å
49P97.1Very high96.2Very high99 Ų9957.2 Ų57.264%0.64328%0.277SS*.SBendtrans-74.6-26.1-169.527.5-33.2000114.4V28 K29V28-P49 WeakPolarHBondContact O-CD 3.4Å; K29-P49 WeakPolarHBondContact O-CG 3.01Å
50F98Very high96.3Very high68 Ų6863 Ų6330%0.29831%0.308SS..EExtended strand (participates in β ladder)trans-127.7136.2-179.9-178.4-98.2000111.3K29 A30 L31 V48 T52 D57 V58 H61K29-F50 WeakPolarHBondContact O-CB 3.39Å; K29-F50 PolarHBondContact O-N 2.8Å; A30-F50 CarbonylContact C-O 3.56Å; A30-F50 WeakPolarHBondContact CA-O 3.3Å; A30-F50 HydrophobicContact CB-CB 4.49Å; A30-F50 HydrophobicContact CB-CD1 3.79Å; L31-F50 PolarHBondContact N-O 3.27Å; V48-F50 WeakPolarHBondContact CG1-O 3.33Å; V48-F50 PolarHBondContact O-N 3.45Å; F50-T52 HydrophobicContact CE1-CG2 3.7Å; F50-T52 HydrophobicContact CZ-CG2 4.21Å; F50-D57 HydrophobicContact CE1-CB 4.2Å; F50-D57 HydrophobicContact CZ-CB 4.08Å; F50-V58 HydrophobicContact CE1-CG2 4.43Å; F50-H61 AromaticContact CD1-CD2 3.84Å; F50-H61 AromaticContact CG-CD2 3.95Å
51Y98Very high96.3Very high66 Ų6662.3 Ų62.326%0.25930%0.304SS..EExtended strand (participates in β ladder)trans-145.4146.8177.861.5-89.5000111.6L31 Q36 A39 E40 A43L31-Y51 VanDerWaalsContact O-CA 3.26Å; L31-Y51 WeakPolarHBondContact O-CA 3.41Å; Q36-Y51 VanDerWaalsContact NE2-CE2 3.32Å; A39-Y51 HydrophobicContact CB-CD2 4.34Å; E40-Y51 HydrophobicContact CB-CD2 3.79Å; E40-Y51 HydrophobicContact CB-CE2 3.37Å; E40-Y51 HydrophobicContact CG-CD2 4.42Å; E40-Y51 HydrophobicContact CG-CE1 4.41Å; E40-Y51 HydrophobicContact CG-CE2 3.62Å; E40-Y51 PolarHBondContact OE1-OH 3.06Å; A43-Y51 HydrophobicContact CB-CD1 3.67Å; A43-Y51 HydrophobicContact CB-CG 3.86Å
52T97.6Very high96.3Very high5 Ų564.9 Ų64.93%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-161.5159-175.1-178.50000110.4L31 W32 G33 F50 R54 D57 V58L31-T52 PolarHBondContact O-N 3.27Å; L31-T52 VanDerWaalsContact O-N 3.16Å; W32-T52 WeakPolarHBondContact CA-O 3.26Å; G33-T52 PolarHBondContact N-O 2.87Å; F50-T52 HydrophobicContact CE1-CG2 3.7Å; F50-T52 HydrophobicContact CZ-CG2 4.21Å; T52-R54 WeakPolarHBondContact CG2-O 3.22Å; T52-R54 PolarHBondContact OG1-N 2.92Å; T52-D57 HydrophobicContact CG2-CB 3.72Å; T52-D57 PolarHBondContact OG1-OD2 3.34Å; T52-V58 HydrophobicContact CG2-CG2 3.42Å; T52-V58 VanDerWaalsContact CG2-CG2 3.42Å
53N95.9Very high96.3Very high74 Ų7467.9 Ų67.940%0.39633%0.332SS..SBendtrans-97.23.4166.972.2-14.7000113.5W32 G33 Q36W32-N53 PolarHBondContact NE1-O 3.43Å; G33-N53 WeakPolarHBondContact O-CA 3.36Å; Q36-N53 VanDerWaalsContact OE1-N 3.16Å
54R95.8Very high96.4Very high156 Ų15667.8 Ų67.859%0.58933%0.331SS*.  trans-100.1123.8-179.8-59.3173.363.899.63.2110.2T52 D56 D57T52-R54 WeakPolarHBondContact CG2-O 3.22Å; T52-R54 PolarHBondContact OG1-N 2.92Å; R54-D56 PolarHBondContact O-N 3.05Å; R54-D57 HydrophobicContact CB-CB 4.17Å; R54-D57 WeakPolarHBondContact CB-OD2 3.32Å; R54-D57 WeakPolarHBondContact CD-OD2 3.36Å; R54-D57 IonicContact NE-OD1 3.75Å; R54-D57 PolarHBondContact NE-OD1 3.46Å; R54-D57 IonicContact NE-OD2 2.86Å; R54-D57 PolarHBondContact O-N 3.48Å
55I94.9Very high96.5Very high35 Ų3562 Ų6218%0.17931%0.307CS..Hα-helixtrans-59.9-47.5-176.6-66.2171.1000111F8 W32 D57 V58 L59 I79F8-I55 HydrophobicContact CE1-CB 4.27Å; F8-I55 HydrophobicContact CE1-CG1 4.24Å; F8-I55 HydrophobicContact CE1-CG2 3.94Å; F8-I55 HydrophobicContact CZ-CG2 4.23Å; W32-I55 HydrophobicContact CZ2-CG1 4.25Å; I55-D57 VanDerWaalsContact C-N 3.26Å; I55-D57 PolarHBondContact O-N 2.98Å; I55-V58 PolarHBondContact O-N 2.93Å; I55-L59 HydrophobicContact CG2-CD1 3.7Å; I55-L59 HydrophobicContact CG2-CG 4.05Å; I55-L59 WeakPolarHBondContact O-CG 3.48Å; I55-L59 PolarHBondContact O-N 2.84Å; I55-L59 VanDerWaalsContact O-N 3.13Å; I55-I79 HydrophobicContact CD1-CD1 4.22Å; I55-I79 HydrophobicContact CD1-CG1 4.26Å; I55-I79 HydrophobicContact CG1-CD1 4.39Å; I55-I79 HydrophobicContact CG2-CG1 4.39Å
56D96.1Very high96.7Very high75 Ų7557.9 Ų57.940%0.40129%0.288SS..Hα-helixtrans-67.4-28-172-57.4-32.5000112R54 V58 L59 L60 K82R54-D56 PolarHBondContact O-N 3.05Å; D56-V58 PolarHBondContact O-N 2.63Å; D56-L59 PolarHBondContact O-N 3.33Å; D56-L60 HydrophobicContact CB-CD1 4.39Å; D56-L60 VanDerWaalsContact O-CB 3.23Å; D56-L60 WeakPolarHBondContact O-CB 3.26Å; D56-L60 VanDerWaalsContact O-CG 3.26Å; D56-L60 WeakPolarHBondContact O-CG 3.41Å; D56-L60 PolarHBondContact O-N 3.42Å; D56-K82 IonicContact OD1-NZ 3.75Å; D56-K82 PolarHBondContact OD1-NZ 2.86Å; D56-K82 IonicContact OD2-NZ 3.8Å
57D97.1Very high96.8Very high58 Ų5856.8 Ų56.831%0.3128%0.282SS..Hα-helixtrans-63-42176.8-68.411.6000112F50 T52 R54 I55 H61F50-D57 HydrophobicContact CE1-CB 4.2Å; F50-D57 HydrophobicContact CZ-CB 4.08Å; T52-D57 HydrophobicContact CG2-CB 3.72Å; T52-D57 PolarHBondContact OG1-OD2 3.34Å; R54-D57 HydrophobicContact CB-CB 4.17Å; R54-D57 WeakPolarHBondContact CB-OD2 3.32Å; R54-D57 WeakPolarHBondContact CD-OD2 3.36Å; R54-D57 IonicContact NE-OD1 3.75Å; R54-D57 PolarHBondContact NE-OD1 3.46Å; R54-D57 IonicContact NE-OD2 2.86Å; R54-D57 PolarHBondContact O-N 3.48Å; I55-D57 VanDerWaalsContact C-N 3.26Å; I55-D57 PolarHBondContact O-N 2.98Å; D57-H61 PolarHBondContact O-N 2.61Å
58V97.1Very high96.9Very high0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-72.5-43.9175.3175.30000110.8F8 A30 W32 F50 T52 I55 D56 L60 H61F8-V58 HydrophobicContact CD2-CG1 4.37Å; F8-V58 HydrophobicContact CE1-CB 4.46Å; F8-V58 HydrophobicContact CE2-CB 4.08Å; F8-V58 HydrophobicContact CE2-CG1 3.51Å; F8-V58 HydrophobicContact CZ-CB 3.7Å; F8-V58 HydrophobicContact CZ-CG1 3.7Å; A30-V58 HydrophobicContact CB-CB 4.35Å; A30-V58 HydrophobicContact CB-CG1 3.8Å; A30-V58 HydrophobicContact CB-CG2 4.14Å; W32-V58 HydrophobicContact CB-CG2 3.88Å; F50-V58 HydrophobicContact CE1-CG2 4.43Å; T52-V58 HydrophobicContact CG2-CG2 3.42Å; T52-V58 VanDerWaalsContact CG2-CG2 3.42Å; I55-V58 PolarHBondContact O-N 2.93Å; D56-V58 PolarHBondContact O-N 2.63Å; V58-L60 VanDerWaalsContact C-N 3.33Å; V58-L60 PolarHBondContact O-N 2.97Å; V58-H61 WeakPolarHBondContact O-CB 3.4Å; V58-H61 PolarHBondContact O-N 3.43Å
59L96.8Very high96.9Very high3 Ų350.5 Ų50.52%0.01625%0.249CC..Hα-helixtrans-65.3-34.7-178.2-70.8-168000112.6F8 I55 D56 V67 I79 K82 T83 I86 K88F8-L59 HydrophobicContact CE2-CD2 3.68Å; F8-L59 HydrophobicContact CE2-CG 4.39Å; F8-L59 HydrophobicContact CZ-CD2 3.65Å; F8-L59 HydrophobicContact CZ-CG 3.85Å; I55-L59 HydrophobicContact CG2-CD1 3.7Å; I55-L59 HydrophobicContact CG2-CG 4.05Å; I55-L59 WeakPolarHBondContact O-CG 3.48Å; I55-L59 PolarHBondContact O-N 2.84Å; I55-L59 VanDerWaalsContact O-N 3.13Å; D56-L59 PolarHBondContact O-N 3.33Å; L59-V67 HydrophobicContact CD2-CG1 4.38Å; L59-V67 HydrophobicContact CD2-CG2 4.03Å; L59-I79 HydrophobicContact CD2-CG2 4.4Å; L59-K82 HydrophobicContact CD1-CB 3.64Å; L59-K82 HydrophobicContact CD1-CD 4.18Å; L59-T83 VanDerWaalsContact CD2-OG1 3.27Å; L59-T83 WeakPolarHBondContact CD2-OG1 3.33Å; L59-I86 HydrophobicContact CB-CD1 3.64Å; L59-I86 HydrophobicContact CG-CD1 4.45Å; L59-I86 WeakPolarHBondContact O-CD1 3.39Å; L59-K88 WeakPolarHBondContact O-CD 3.39Å; L59-K88 WeakPolarHBondContact O-CE 3.32Å; L59-K88 PolarHBondContact O-NZ 3.16Å
60L96.8Very high96.6Very high122 Ų12246.4 Ų46.464%0.63922%0.221SC*.THydrogen-bonded Turntrans-92.1-1.3179-61.8174.8000113.3D56 V58 Q62D56-L60 HydrophobicContact CB-CD1 4.39Å; D56-L60 VanDerWaalsContact O-CB 3.23Å; D56-L60 WeakPolarHBondContact O-CB 3.26Å; D56-L60 VanDerWaalsContact O-CG 3.26Å; D56-L60 WeakPolarHBondContact O-CG 3.41Å; D56-L60 PolarHBondContact O-N 3.42Å; V58-L60 VanDerWaalsContact C-N 3.33Å; V58-L60 PolarHBondContact O-N 2.97Å; L60-Q62 PolarHBondContact O-N 3.44Å
61H97.4Very high96.3Very high43 Ų4343.8 Ų43.820%0.19921%0.21CC..  trans-58.9127.7177.2-165.1-72.3000110.8F50 D57 V58 D63 V64 K88F50-H61 AromaticContact CD1-CD2 3.84Å; F50-H61 AromaticContact CG-CD2 3.95Å; D57-H61 PolarHBondContact O-N 2.61Å; V58-H61 WeakPolarHBondContact O-CB 3.4Å; V58-H61 PolarHBondContact O-N 3.43Å; H61-D63 VanDerWaalsContact C-N 3.32Å; H61-D63 IonicContact CE1-OD2 3.54Å; H61-D63 PolarHBondContact ND1-N 3.34Å; H61-D63 PolarHBondContact O-N 3.38Å; H61-V64 HydrophobicContact CB-CB 4.26Å; H61-V64 HydrophobicContact CB-CG2 3.85Å; H61-V64 PolarHBondContact O-N 3.04Å; H61-V64 VanDerWaalsContact O-N 3.17Å; H61-K88 PolarHBondContact O-NZ 3.4Å
62Q95.3Very high95.9Very high177 Ų17742.8 Ų42.883%0.82721%0.212SC*.THydrogen-bonded Turntrans-65.8-33.9-170.2-65.8-177.7-0.800113L60 V64L60-Q62 PolarHBondContact O-N 3.44Å; Q62-V64 VanDerWaalsContact C-N 3.32Å; Q62-V64 PolarHBondContact O-N 3.24Å
63D96Very high95.6Very high65 Ų6542.5 Ų42.535%0.34821%0.21SC..THydrogen-bonded Turntrans-85.24178.4-64.1-50.3000114.7G4 K29 H61G4-D63 WeakPolarHBondContact CA-O 3.36Å; K29-D63 HydrophobicContact CB-CB 4.39Å; K29-D63 HydrophobicContact CD-CB 4Å; K29-D63 HydrophobicContact CG-CB 3.83Å; K29-D63 WeakPolarHBondContact CG-O 3.31Å; H61-D63 VanDerWaalsContact C-N 3.32Å; H61-D63 IonicContact CE1-OD2 3.54Å; H61-D63 PolarHBondContact ND1-N 3.34Å; H61-D63 PolarHBondContact O-N 3.38Å
64V97.6Very high95.3Very high0 Ų040 Ų400%020%0.198CC..  trans-100.2122.6178.9171.80000109.3K29 A30 H61 Q62 V67 K88K29-V64 HydrophobicContact CB-CG2 3.94Å; A30-V64 HydrophobicContact CB-CG2 3.89Å; H61-V64 HydrophobicContact CB-CB 4.26Å; H61-V64 HydrophobicContact CB-CG2 3.85Å; H61-V64 PolarHBondContact O-N 3.04Å; H61-V64 VanDerWaalsContact O-N 3.17Å; Q62-V64 VanDerWaalsContact C-N 3.32Å; Q62-V64 PolarHBondContact O-N 3.24Å; V64-V67 HydrophobicContact CG1-CG2 4.07Å; V64-K88 HydrophobicContact CG1-CD 4.37Å; V64-K88 VanDerWaalsContact O-CD 3.3Å; V64-K88 WeakPolarHBondContact O-CD 3.47Å; V64-K88 WeakPolarHBondContact O-CE 3.45Å; V64-K88 PolarHBondContact O-NZ 2.98Å
65D97.3Very high95Very high8 Ų834.4 Ų34.44%0.04318%0.18CC..  trans-121.5-23.9178.8-63.1-63.1000112.3P3 G4 N89 R328 R329P3-D65 HydrophobicContact CB-CB 3.68Å; G4-D65 PolarHBondContact O-N 3.06Å; D65-N89 WeakPolarHBondContact O-CB 3.38Å; D65-N89 PolarHBondContact O-N 3.27Å; D65-R328 HydrophobicContact CB-CB 4.42Å; D65-R328 WeakPolarHBondContact OD2-CB 3.37Å; D65-R328 WeakPolarHBondContact OD2-CD 3.22Å; D65-R329 HydrophobicContact CB-CG 4.03Å; D65-R329 WeakPolarHBondContact OD1-CG 3.28Å; D65-R329 IonicContact OD1-CZ 3.35Å; D65-R329 IonicContact OD1-NE 2.69Å; D65-R329 PolarHBondContact OD1-NE 3.42Å; D65-R329 IonicContact OD1-NH2 3.88Å
66L97.8Very high94.9Very high0 Ų032.8 Ų32.80%017%0.171CC..EExtended strand (participates in β ladder)trans-121.1133.3176.1177.363.9000110.2P3 G4 V5 G6 F26 N89 I91 L115 V318 F322P3-L66 HydrophobicContact CB-CB 4.02Å; P3-L66 HydrophobicContact CG-CB 4.1Å; P3-L66 HydrophobicContact CG-CD2 4.37Å; G4-L66 PolarHBondContact O-N 3.32Å; G4-L66 VanDerWaalsContact O-N 3.12Å; V5-L66 CarbonylContact C-O 3.54Å; V5-L66 VanDerWaalsContact CA-O 3.28Å; V5-L66 WeakPolarHBondContact CA-O 3.09Å; V5-L66 HydrophobicContact CG2-CB 4.37Å; V5-L66 HydrophobicContact CG2-CD2 4.21Å; G6-L66 PolarHBondContact N-O 2.98Å; F26-L66 HydrophobicContact CE1-CD2 4.32Å; L66-N89 CarbonylContact C-O 3.59Å; L66-N89 HydrophobicContact CB-CB 4.42Å; L66-N89 HydrophobicContact CD1-CB 3.57Å; L66-I91 HydrophobicContact CD1-CD1 4.22Å; L66-I91 HydrophobicContact CD1-CG1 4.1Å; L66-I91 HydrophobicContact CD2-CD1 4.22Å; L66-L115 HydrophobicContact CD1-CD2 4.25Å; L66-V318 HydrophobicContact CD2-CG1 4.12Å; L66-F322 HydrophobicContact CD2-CE2 4.43Å
67V98.1Very high94.8Very high0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-115.9122.5178.9-179.20000110.5G6 F8 L59 V64 I69 T83 N89 V90 I91G6-V67 CarbonylContact O-C 3.54Å; G6-V67 WeakPolarHBondContact O-CA 3.19Å; F8-V67 HydrophobicContact CD2-CG1 3.43Å; F8-V67 VanDerWaalsContact CD2-CG1 3.43Å; F8-V67 HydrophobicContact CE2-CG1 3.5Å; F8-V67 VanDerWaalsContact CE2-CG1 3.5Å; L59-V67 HydrophobicContact CD2-CG1 4.38Å; L59-V67 HydrophobicContact CD2-CG2 4.03Å; V64-V67 HydrophobicContact CG1-CG2 4.07Å; V67-I69 HydrophobicContact CG1-CG1 4.01Å; V67-T83 HydrophobicContact CB-CG2 3.72Å; V67-T83 HydrophobicContact CG1-CG2 4.48Å; V67-T83 HydrophobicContact CG2-CG2 3.55Å; V67-N89 PolarHBondContact N-O 2.97Å; V67-V90 WeakPolarHBondContact O-CA 3.35Å; V67-I91 PolarHBondContact O-N 3.02Å
68C97.7Very high94.6Very high6 Ų632.6 Ų32.64%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-102.6118.3174.2-63.50000110V5 G6 V7 F8 I91V5-C68 HydrophobicContact CG1-CB 4.47Å; G6-C68 PolarHBondContact O-N 3.16Å; V7-C68 HydrophobicContact CG2-CB 4.44Å; F8-C68 PolarHBondContact N-O 3.1Å; C68-I91 WeakPolarHBondContact CA-O 3.26Å
69I96.4Very high94.6Very high1 Ų132.7 Ų32.71%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-103.9108.2-175.8-53.5171.9000109.9V67 L71 T76 I79 A80 V90 I91 D93V67-I69 HydrophobicContact CG1-CG1 4.01Å; I69-L71 HydrophobicContact CG2-CB 4.28Å; I69-L71 HydrophobicContact CG2-CD1 4.43Å; I69-L71 HydrophobicContact CG2-CG 4.12Å; I69-T76 HydrophobicContact CG2-CG2 3.77Å; I69-I79 HydrophobicContact CD1-CB 3.96Å; I69-I79 HydrophobicContact CD1-CG2 3.8Å; I69-I79 HydrophobicContact CG1-CG2 4.02Å; I69-A80 HydrophobicContact CD1-CB 3.71Å; I69-V90 HydrophobicContact CD1-CG2 3.59Å; I69-V90 HydrophobicContact CG1-CG2 4.22Å; I69-I91 PolarHBondContact N-O 2.99Å; I69-D93 PolarHBondContact O-N 3.41Å; I69-D93 VanDerWaalsContact O-N 3.12Å
70N91.4Very high94.6Very high13 Ų1332.5 Ų32.57%0.0716%0.164CC..  trans-12046.2-179.5-61.3-60.8000111.1F8 S11 I17F8-N70 CarbonylContact O-C 3.56Å; F8-N70 WeakPolarHBondContact O-CA 3.38Å; F8-N70 PolarHBondContact O-N 3.19Å; S11-N70 PolarHBondContact OG-O 2.98Å; I17-N70 VanDerWaalsContact CD1-OD1 3.27Å; I17-N70 WeakPolarHBondContact CD1-OD1 3.48Å
71L90.8Very high94.6Very high13 Ų1329 Ų297%0.06815%0.147CC..SBendtrans-100.1163.2-176.7-62.7-171.1000112.5F8 W32 I69 L75 T76 I79F8-L71 HydrophobicContact CB-CD1 4.14Å; F8-L71 HydrophobicContact CB-CD2 4.23Å; F8-L71 HydrophobicContact CB-CG 4.01Å; F8-L71 WeakPolarHBondContact O-CD2 3.45Å; W32-L71 HydrophobicContact CE3-CD1 4.23Å; W32-L71 HydrophobicContact CE3-CD2 3.8Å; W32-L71 HydrophobicContact CH2-CD1 4.41Å; W32-L71 HydrophobicContact CZ3-CD1 3.82Å; W32-L71 HydrophobicContact CZ3-CD2 3.42Å; W32-L71 VanDerWaalsContact CZ3-CD2 3.42Å; W32-L71 HydrophobicContact CZ3-CG 4.29Å; I69-L71 HydrophobicContact CG2-CB 4.28Å; I69-L71 HydrophobicContact CG2-CD1 4.43Å; I69-L71 HydrophobicContact CG2-CG 4.12Å; L71-L75 HydrophobicContact CB-CB 4.12Å; L71-L75 HydrophobicContact CD1-CB 3.96Å; L71-T76 HydrophobicContact CB-CG2 4.11Å; L71-I79 HydrophobicContact CD1-CD1 3.22Å; L71-I79 HydrophobicContact CD1-CG1 4.43Å
72P89.8Confident94.6Very high44 Ų4430.3 Ų30.329%0.28615%0.153SC..  trans-45.8137.1162.9-29.936.4000111.8P74 L75 W162P72-P74 VanDerWaalsContact C-N 3.31Å; P72-P74 WeakPolarHBondContact O-CD 3.47Å; P72-P74 VanDerWaalsContact O-N 3.07Å; P72-L75 HydrophobicContact CB-CD1 4.47Å; P72-L75 HydrophobicContact CG-CD1 4.4Å; P72-L75 PolarHBondContact O-N 3.24Å; P72-W162 HydrophobicContact CB-CB 4.28Å; P72-W162 HydrophobicContact CB-CD2 4.48Å; P72-W162 HydrophobicContact CB-CG 3.84Å; P72-W162 HydrophobicContact CG-CG 4.38Å
73P90.9Very high94.7Very high0 Ų021.9 Ų21.90%011%0.113CC..Hα-helixtrans-49.2-37.8-172.6-21.124.2000115.9L75 T76 R94 A96 W162P73-L75 PolarHBondContact O-N 3.45Å; P73-T76 PolarHBondContact O-N 3.01Å; P73-T76 PolarHBondContact O-OG1 2.81Å; P73-T76 VanDerWaalsContact O-OG1 3.06Å; P73-R94 HydrophobicContact CB-CG 4.25Å; P73-R94 HydrophobicContact CG-CG 3.93Å; P73-A96 HydrophobicContact CB-CB 3.85Å; P73-A96 PolarHBondContact O-N 3.45Å; P73-W162 VanDerWaalsContact CD-CD2 3.46Å; P73-W162 VanDerWaalsContact CD-CE3 3.4Å; P73-W162 HydrophobicContact CG-CD2 4.23Å; P73-W162 HydrophobicContact CG-CE3 3.64Å; P73-W162 HydrophobicContact CG-CH2 4.16Å; P73-W162 HydrophobicContact CG-CZ3 3.61Å
74P89.4Confident94.8Very high22 Ų2218.8 Ų18.814%0.14310%0.097CC..Hα-helixtrans-68.4-17.5-178.6-22.935.3000114.6P72 A96 M168 M391P72-P74 VanDerWaalsContact C-N 3.31Å; P72-P74 WeakPolarHBondContact O-CD 3.47Å; P72-P74 VanDerWaalsContact O-N 3.07Å; P74-A96 HydrophobicContact CB-CB 4.4Å; P74-A96 HydrophobicContact CG-CB 4.08Å; P74-M168 WeakPolarHBondContact CD-O 3.31Å; P74-M168 HydrophobicContact CG-CB 4.01Å; P74-M168 HydrophobicContact CG-SD 3.93Å; P74-M391 HydrophobicContact CB-SD 3.97Å
75L89.6Confident94.7Very high38 Ų3820.7 Ų20.720%0.19912%0.116CC..Hα-helixtrans-92.6-17-176.9-68.2176000113.2L71 P72 P73 M391L71-L75 HydrophobicContact CB-CB 4.12Å; L71-L75 HydrophobicContact CD1-CB 3.96Å; P72-L75 HydrophobicContact CB-CD1 4.47Å; P72-L75 HydrophobicContact CG-CD1 4.4Å; P72-L75 PolarHBondContact O-N 3.24Å; P73-L75 PolarHBondContact O-N 3.45Å; L75-M391 HydrophobicContact CD1-SD 4.22Å; L75-M391 HydrophobicContact CD2-CE 3.33Å; L75-M391 HydrophobicContact CD2-SD 3.43Å; L75-M391 WeakPolarHBondContact CD2-SD 3.48Å; L75-M391 HydrophobicContact CG-CE 4.19Å; L75-M391 HydrophobicContact CG-SD 3.58Å; L75-M391 VanDerWaalsContact CG-SD 3.58Å
76T93.1Very high94.6Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-71.8-41.1-165.260.90000112.7I69 L71 P73 Q78 I79 A80 R94 T95I69-T76 HydrophobicContact CG2-CG2 3.77Å; L71-T76 HydrophobicContact CB-CG2 4.11Å; P73-T76 PolarHBondContact O-N 3.01Å; P73-T76 PolarHBondContact O-OG1 2.81Å; P73-T76 VanDerWaalsContact O-OG1 3.06Å; T76-Q78 PolarHBondContact O-N 2.93Å; T76-I79 PolarHBondContact O-N 3.13Å; T76-A80 WeakPolarHBondContact O-CB 3.43Å; T76-A80 PolarHBondContact O-N 3.4Å; T76-R94 VanDerWaalsContact CB-O 3.3Å; T76-R94 WeakPolarHBondContact CB-O 3.47Å; T76-R94 WeakPolarHBondContact CG2-O 3.28Å; T76-R94 PolarHBondContact OG1-O 3.41Å; T76-T95 WeakPolarHBondContact OG1-CA 3.44Å
77R94.4Very high94.5Very high42 Ų4224.6 Ų24.616%0.15814%0.141CC..Hα-helixtrans-52.3-52179.7174.4-168.958.678.7-2113I79 A80 V81 D100 R103 M104 E384R77-I79 PolarHBondContact O-N 2.91Å; R77-A80 PolarHBondContact O-N 2.84Å; R77-V81 HydrophobicContact CG-CG2 4.05Å; R77-V81 WeakPolarHBondContact O-CB 3.42Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 2.81Å; R77-D100 HydrophobicContact CB-CB 4Å; R77-D100 WeakPolarHBondContact CD-OD1 3.4Å; R77-D100 HydrophobicContact CG-CB 4.42Å; R77-D100 IonicContact CZ-OD1 2.67Å; R77-D100 IonicContact NE-OD1 3.6Å; R77-D100 PolarHBondContact NE-OD1 3.42Å; R77-R103 HydrophobicContact CG-CB 4.3Å; R77-M104 HydrophobicContact CB-CG 4.17Å; R77-M104 HydrophobicContact CB-SD 4.14Å; R77-M104 HydrophobicContact CG-CG 4.05Å; R77-E384 IonicContact NH2-OE1 3.96Å
78Q93.4Very high94.5Very high87 Ų8725 Ų2541%0.40714%0.143SC..Hα-helixtrans-58.6-39.1-172.8-177.4-178.17.200110.6T76 K82T76-Q78 PolarHBondContact O-N 2.93Å; Q78-K82 HydrophobicContact CG-CD 4.44Å; Q78-K82 WeakPolarHBondContact O-CB 3.16Å; Q78-K82 VanDerWaalsContact O-CG 3.26Å; Q78-K82 WeakPolarHBondContact O-CG 3.39Å; Q78-K82 PolarHBondContact O-N 2.81Å
79I96.1Very high94.5Very high2 Ų224.7 Ų24.71%0.0114%0.141CC..Hα-helixtrans-74.8-46.6-179.6-53.8-170.4000109.9F8 I55 L59 I69 L71 T76 R77 V81 K82 T83F8-I79 HydrophobicContact CB-CD1 4.42Å; F8-I79 HydrophobicContact CD1-CD1 3.38Å; F8-I79 HydrophobicContact CD1-CG2 4.05Å; F8-I79 HydrophobicContact CD2-CG2 4.01Å; F8-I79 HydrophobicContact CE1-CD1 3.8Å; F8-I79 HydrophobicContact CE1-CG2 4.02Å; F8-I79 HydrophobicContact CE2-CG2 3.97Å; F8-I79 HydrophobicContact CG-CD1 4.02Å; F8-I79 HydrophobicContact CG-CG2 4.04Å; F8-I79 HydrophobicContact CZ-CG2 3.97Å; I55-I79 HydrophobicContact CD1-CD1 4.22Å; I55-I79 HydrophobicContact CD1-CG1 4.26Å; I55-I79 HydrophobicContact CG1-CD1 4.39Å; I55-I79 HydrophobicContact CG2-CG1 4.39Å; L59-I79 HydrophobicContact CD2-CG2 4.4Å; I69-I79 HydrophobicContact CD1-CB 3.96Å; I69-I79 HydrophobicContact CD1-CG2 3.8Å; I69-I79 HydrophobicContact CG1-CG2 4.02Å; L71-I79 HydrophobicContact CD1-CD1 3.22Å; L71-I79 HydrophobicContact CD1-CG1 4.43Å; T76-I79 PolarHBondContact O-N 3.13Å; R77-I79 PolarHBondContact O-N 2.91Å; I79-V81 PolarHBondContact O-N 3.49Å; I79-K82 PolarHBondContact O-N 2.88Å; I79-T83 WeakPolarHBondContact O-CB 3.38Å; I79-T83 PolarHBondContact O-N 3.3Å; I79-T83 PolarHBondContact O-OG1 3.42Å
80A97.3Very high94.5Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-57.9-47.4179.600000112.6I69 T76 R77 T83 L84 V90 M104 F342I69-A80 HydrophobicContact CD1-CB 3.71Å; T76-A80 WeakPolarHBondContact O-CB 3.43Å; T76-A80 PolarHBondContact O-N 3.4Å; R77-A80 PolarHBondContact O-N 2.84Å; A80-T83 PolarHBondContact O-N 3.42Å; A80-L84 PolarHBondContact O-N 2.97Å; A80-L84 VanDerWaalsContact O-N 3.13Å; A80-V90 HydrophobicContact CB-CG2 4.29Å; A80-M104 HydrophobicContact CB-CE 3.88Å; A80-M104 HydrophobicContact CB-CG 4.06Å; A80-M104 HydrophobicContact CB-SD 4.33Å; A80-F342 HydrophobicContact CB-CZ 4.29Å
81V96.8Very high94.8Very high48 Ų4824.9 Ų24.929%0.29114%0.142SC..Hα-helixtrans-65.2-43178.6174.10000111.2R77 I79 L84 G85 M104 A107R77-V81 HydrophobicContact CG-CG2 4.05Å; R77-V81 WeakPolarHBondContact O-CB 3.42Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 2.81Å; I79-V81 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 3.26Å; V81-G85 PolarHBondContact O-N 3.32Å; V81-M104 HydrophobicContact CG2-CG 4.32Å; V81-A107 HydrophobicContact CB-CB 4.35Å; V81-A107 HydrophobicContact CG1-CB 4.1Å; V81-A107 HydrophobicContact CG2-CB 4.06Å
82K97Very high95.1Very high71 Ų7124.2 Ų24.231%0.30914%0.138SC..Hα-helixtrans-62.4-45176.1-81.6-177.3164.4-160.90111.9D56 L59 Q78 I79 L84 G85 I86D56-K82 IonicContact OD1-NZ 3.75Å; D56-K82 PolarHBondContact OD1-NZ 2.86Å; D56-K82 IonicContact OD2-NZ 3.8Å; L59-K82 HydrophobicContact CD1-CB 3.64Å; L59-K82 HydrophobicContact CD1-CD 4.18Å; Q78-K82 HydrophobicContact CG-CD 4.44Å; Q78-K82 WeakPolarHBondContact O-CB 3.16Å; Q78-K82 VanDerWaalsContact O-CG 3.26Å; Q78-K82 WeakPolarHBondContact O-CG 3.39Å; Q78-K82 PolarHBondContact O-N 2.81Å; I79-K82 PolarHBondContact O-N 2.88Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.13Å; K82-G85 PolarHBondContact O-N 2.87Å; K82-I86 WeakPolarHBondContact O-CG1 3.27Å; K82-I86 PolarHBondContact O-N 3.39Å; K82-I86 VanDerWaalsContact O-N 3.1Å
83T97.6Very high95Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-56.1-48178.5-64.40000111.5L59 V67 I79 A80 I86 G87 K88 V90L59-T83 VanDerWaalsContact CD2-OG1 3.27Å; L59-T83 WeakPolarHBondContact CD2-OG1 3.33Å; V67-T83 HydrophobicContact CB-CG2 3.72Å; V67-T83 HydrophobicContact CG1-CG2 4.48Å; V67-T83 HydrophobicContact CG2-CG2 3.55Å; I79-T83 WeakPolarHBondContact O-CB 3.38Å; I79-T83 PolarHBondContact O-N 3.3Å; I79-T83 PolarHBondContact O-OG1 3.42Å; A80-T83 PolarHBondContact O-N 3.42Å; T83-I86 WeakPolarHBondContact O-CG1 3.44Å; T83-I86 PolarHBondContact O-N 2.88Å; T83-G87 PolarHBondContact O-N 2.85Å; T83-K88 HydrophobicContact CG2-CB 3.72Å; T83-K88 PolarHBondContact O-N 3.18Å; T83-V90 HydrophobicContact CG2-CB 3.94Å; T83-V90 HydrophobicContact CG2-CG2 4.39Å
84L97.3Very high94.8Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-65.3-42.9177.1-70.1171.9000111.5A80 V81 K82 I86 G87 V90 A107 A108 Y111 L114 F342A80-L84 PolarHBondContact O-N 2.97Å; A80-L84 VanDerWaalsContact O-N 3.13Å; V81-L84 PolarHBondContact O-N 3.26Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.13Å; L84-I86 PolarHBondContact O-N 3.15Å; L84-I86 VanDerWaalsContact O-N 3.16Å; L84-G87 PolarHBondContact O-N 3.04Å; L84-V90 HydrophobicContact CD1-CG1 4.22Å; L84-V90 HydrophobicContact CD2-CG1 3.84Å; L84-V90 HydrophobicContact CG-CG1 3.91Å; L84-A107 HydrophobicContact CD1-CB 3.94Å; L84-A108 HydrophobicContact CD1-CB 4.13Å; L84-Y111 HydrophobicContact CB-CD2 4.09Å; L84-L114 HydrophobicContact CD2-CB 3.82Å; L84-L114 HydrophobicContact CD2-CD1 3.85Å; L84-L114 WeakPolarHBondContact O-CD1 3.34Å; L84-F342 HydrophobicContact CD1-CE2 3.89Å
85G96.1Very high94.9Very high39 Ų3924.5 Ų24.540%0.40213%0.133SC..Hα-helixtrans-61.3-22.4179.200000115.1V81 K82V81-G85 PolarHBondContact O-N 3.32Å; K82-G85 PolarHBondContact O-N 2.87Å
86I95.7Very high94.8Very high68 Ų6823 Ų2335%0.34913%0.126SC..THydrogen-bonded Turntrans-99.98174.766.2174.7000113.4L59 K82 T83 L84 K88L59-I86 HydrophobicContact CB-CD1 3.64Å; L59-I86 HydrophobicContact CG-CD1 4.45Å; L59-I86 WeakPolarHBondContact O-CD1 3.39Å; K82-I86 WeakPolarHBondContact O-CG1 3.27Å; K82-I86 PolarHBondContact O-N 3.39Å; K82-I86 VanDerWaalsContact O-N 3.1Å; T83-I86 WeakPolarHBondContact O-CG1 3.44Å; T83-I86 PolarHBondContact O-N 2.88Å; L84-I86 PolarHBondContact O-N 3.15Å; L84-I86 VanDerWaalsContact O-N 3.16Å; I86-K88 HydrophobicContact CD1-CD 3.95Å; I86-K88 HydrophobicContact CD1-CG 4.33Å; I86-K88 HydrophobicContact CG1-CB 4.48Å; I86-K88 HydrophobicContact CG1-CD 4.34Å; I86-K88 HydrophobicContact CG1-CG 4.17Å
87G95.6Very high94.7Very high22 Ų2224 Ų2423%0.22713%0.132CC..THydrogen-bonded Turntrans81.629.6174.300000115.1T83 L84T83-G87 PolarHBondContact O-N 2.85Å; L84-G87 PolarHBondContact O-N 3.04Å
88K97.3Very high94.7Very high9 Ų922.3 Ų22.34%0.03913%0.126CC..  trans-113.2151.5178.5-66.1-173-179-163.20112.1L59 H61 V64 T83 I86L59-K88 WeakPolarHBondContact O-CD 3.39Å; L59-K88 WeakPolarHBondContact O-CE 3.32Å; L59-K88 PolarHBondContact O-NZ 3.16Å; H61-K88 PolarHBondContact O-NZ 3.4Å; V64-K88 HydrophobicContact CG1-CD 4.37Å; V64-K88 VanDerWaalsContact O-CD 3.3Å; V64-K88 WeakPolarHBondContact O-CD 3.47Å; V64-K88 WeakPolarHBondContact O-CE 3.45Å; V64-K88 PolarHBondContact O-NZ 2.98Å; T83-K88 HydrophobicContact CG2-CB 3.72Å; T83-K88 PolarHBondContact O-N 3.18Å; I86-K88 HydrophobicContact CD1-CD 3.95Å; I86-K88 HydrophobicContact CD1-CG 4.33Å; I86-K88 HydrophobicContact CG1-CB 4.48Å; I86-K88 HydrophobicContact CG1-CD 4.34Å; I86-K88 HydrophobicContact CG1-CG 4.17Å
89N97.8Very high94.7Very high0 Ų018.7 Ų18.70%011%0.11CC..EExtended strand (participates in β ladder)trans-73.8149.3177.4-66.4-52.7000110.7D65 L66 V67 L114 L115 F322 R329D65-N89 WeakPolarHBondContact O-CB 3.38Å; D65-N89 PolarHBondContact O-N 3.27Å; L66-N89 CarbonylContact C-O 3.59Å; L66-N89 HydrophobicContact CB-CB 4.42Å; L66-N89 HydrophobicContact CD1-CB 3.57Å; V67-N89 PolarHBondContact N-O 2.97Å; N89-L114 WeakPolarHBondContact OD1-CA 3.26Å; N89-L115 HydrophobicContact CB-CB 3.97Å; N89-L115 WeakPolarHBondContact OD1-CB 3.34Å; N89-L115 PolarHBondContact OD1-N 3.38Å; N89-F322 HydrophobicContact CB-CZ 4.38Å; N89-R329 PolarHBondContact ND2-O 3Å
90V97.9Very high94.5Very high0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-137.1135.6-176.567.30000113.3V67 I69 A80 T83 L84 L115 S116 I117 F342V67-V90 WeakPolarHBondContact O-CA 3.35Å; I69-V90 HydrophobicContact CD1-CG2 3.59Å; I69-V90 HydrophobicContact CG1-CG2 4.22Å; A80-V90 HydrophobicContact CB-CG2 4.29Å; T83-V90 HydrophobicContact CG2-CB 3.94Å; T83-V90 HydrophobicContact CG2-CG2 4.39Å; L84-V90 HydrophobicContact CD1-CG1 4.22Å; L84-V90 HydrophobicContact CD2-CG1 3.84Å; L84-V90 HydrophobicContact CG-CG1 3.91Å; V90-L115 PolarHBondContact N-O 2.77Å; V90-S116 WeakPolarHBondContact O-CA 3.19Å; V90-I117 PolarHBondContact O-N 3.35Å; V90-I117 VanDerWaalsContact O-N 3.16Å; V90-F342 HydrophobicContact CG1-CE2 4.04Å; V90-F342 HydrophobicContact CG1-CZ 3.68Å
91I97.6Very high94.4Very high17 Ų1718.8 Ų18.89%0.08711%0.111CC..EExtended strand (participates in β ladder)trans-119123.4164.9-58.5173.2000107L66 V67 C68 I69 I117 M314 V318L66-I91 HydrophobicContact CD1-CD1 4.22Å; L66-I91 HydrophobicContact CD1-CG1 4.1Å; L66-I91 HydrophobicContact CD2-CD1 4.22Å; V67-I91 PolarHBondContact O-N 3.02Å; C68-I91 WeakPolarHBondContact CA-O 3.26Å; I69-I91 PolarHBondContact N-O 2.99Å; I91-I117 WeakPolarHBondContact CA-O 3.38Å; I91-I117 HydrophobicContact CB-CG1 4.38Å; I91-I117 HydrophobicContact CD1-CD1 4.34Å; I91-I117 HydrophobicContact CG1-CD1 4.04Å; I91-I117 HydrophobicContact CG1-CG1 3.78Å; I91-I117 HydrophobicContact CG2-CG1 4.31Å; I91-M314 HydrophobicContact CG2-CE 4.42Å; I91-V318 HydrophobicContact CD1-CG1 4.11Å; I91-V318 HydrophobicContact CD1-CG2 3.88Å
92C95.9Very high94.4Very high0 Ų017.4 Ų17.40%010%0.1CC..EExtended strand (participates in β ladder)trans-121.5126.4-177.5-174.60000110.9R94 M104 I117 M118 G119 F342C92-R94 PolarHBondContact SG-O 2.91Å; C92-M104 HydrophobicContact CB-CE 3.94Å; C92-I117 PolarHBondContact N-O 2.86Å; C92-M118 HydrophobicContact CB-SD 4.11Å; C92-M118 CarbonylContact O-C 3.55Å; C92-M118 VanDerWaalsContact O-CA 3.23Å; C92-M118 WeakPolarHBondContact O-CA 3.46Å; C92-M118 WeakPolarHBondContact O-CE 3.12Å; C92-G119 PolarHBondContact O-N 3.45Å; C92-F342 HydrophobicContact CB-CE1 3.91Å; C92-F342 HydrophobicContact CB-CZ 4.24Å
93D88.5Confident94.3Very high25 Ų2516.3 Ų16.313%0.13410%0.095CC..  trans-66.7-52-176.9-174.551.3000112.7I69 M118 Y179I69-D93 PolarHBondContact O-N 3.41Å; I69-D93 VanDerWaalsContact O-N 3.12Å; D93-M118 WeakPolarHBondContact O-CE 3.49Å; D93-Y179 PolarHBondContact OD1-OH 3.29Å
94R87.4Confident94.3Very high46 Ų4616.4 Ų16.417%0.17410%0.095CC..  trans-157.7170.3-176.264.5-170.773.2-162.9-2.3112.2P73 T76 C92 Y179P73-R94 HydrophobicContact CB-CG 4.25Å; P73-R94 HydrophobicContact CG-CG 3.93Å; T76-R94 VanDerWaalsContact CB-O 3.3Å; T76-R94 WeakPolarHBondContact CB-O 3.47Å; T76-R94 WeakPolarHBondContact CG2-O 3.28Å; T76-R94 PolarHBondContact OG1-O 3.41Å; C92-R94 PolarHBondContact SG-O 2.91Å; R94-Y179 PolarHBondContact NH2-OH 3.36Å
95T90.1Very high94.3Very high1 Ų117.3 Ų17.31%0.00610%0.099CC..  trans-144.6153.8173-171.20000111.2T76 D100 A101 M104 H174 C345 L349T76-T95 WeakPolarHBondContact OG1-CA 3.44Å; T95-D100 VanDerWaalsContact OG1-CB 3.22Å; T95-D100 WeakPolarHBondContact OG1-CB 3.22Å; T95-A101 HydrophobicContact CG2-CB 3.73Å; T95-M104 HydrophobicContact CG2-SD 4.22Å; T95-H174 PolarHBondContact O-CE1 2.81Å; T95-H174 PolarHBondContact O-NE2 3.22Å; T95-C345 VanDerWaalsContact CG2-SG 3.55Å; T95-L349 HydrophobicContact CG2-CD1 3.37Å; T95-L349 WeakPolarHBondContact O-CD1 3.32Å
96A87.1Confident94.3Very high6 Ų616.6 Ų16.65%0.059%0.088CC..SBendtrans-72.5-39.6-167.600000113.5P73 P74 H174P73-A96 HydrophobicContact CB-CB 3.85Å; P73-A96 PolarHBondContact O-N 3.45Å; P74-A96 HydrophobicContact CB-CB 4.4Å; P74-A96 HydrophobicContact CG-CB 4.08Å; A96-H174 PolarHBondContact O-NE2 3.17Å
97T92.3Very high94.3Very high21 Ų2113.9 Ų13.913%0.1298%0.076CC..  trans-138.8157.1-166.869.20000112.9L99 D100 A101 R387T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 3.26Å; T97-D100 WeakPolarHBondContact O-CB 3.32Å; T97-D100 PolarHBondContact O-N 3.4Å; T97-D100 PolarHBondContact OG1-N 2.95Å; T97-D100 VanDerWaalsContact OG1-N 3.17Å; T97-D100 PolarHBondContact OG1-OD2 2.92Å; T97-A101 PolarHBondContact O-N 2.89Å; T97-R387 VanDerWaalsContact CG2-NH1 3.28Å
98P93.8Very high94.3Very high6 Ų613.4 Ų13.44%0.0397%0.07CC..Hα-helixtrans-56.2-39.7173.6-26.434.6000112.9D100 A101 F102 L346 L349 D353 M370P98-D100 VanDerWaalsContact C-N 3.28Å; P98-D100 PolarHBondContact O-N 3.01Å; P98-A101 PolarHBondContact O-N 3.45Å; P98-F102 WeakPolarHBondContact O-CB 3.35Å; P98-F102 PolarHBondContact O-N 3.26Å; P98-L346 HydrophobicContact CB-CD1 4.07Å; P98-L346 WeakPolarHBondContact O-CD1 3.44Å; P98-L349 HydrophobicContact CB-CB 4.44Å; P98-L349 HydrophobicContact CG-CB 3.93Å; P98-D353 VanDerWaalsContact CD-OD2 3.24Å; P98-D353 WeakPolarHBondContact CD-OD2 3.31Å; P98-D353 HydrophobicContact CG-CB 4.25Å; P98-D353 WeakPolarHBondContact CG-OD2 3.41Å; P98-M370 HydrophobicContact CB-CE 4.31Å
99L92.6Very high94.3Very high11 Ų1118.7 Ų18.76%0.05810%0.095CC..Hα-helixtrans-64.1-36.8176.3177.351.4000111.9T97 F102 R103 M370 E373 P374 Y380T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 3.26Å; L99-F102 HydrophobicContact CD1-CD1 4.46Å; L99-F102 PolarHBondContact O-N 2.95Å; L99-R103 HydrophobicContact CD1-CG 4.26Å; L99-R103 PolarHBondContact O-N 3.23Å; L99-M370 HydrophobicContact CB-CE 4.16Å; L99-M370 HydrophobicContact CB-SD 4.35Å; L99-M370 HydrophobicContact CD1-SD 4.12Å; L99-E373 HydrophobicContact CD1-CG 3.94Å; L99-P374 HydrophobicContact CD1-CG 4.44Å; L99-P374 HydrophobicContact CD2-CG 4.15Å; L99-Y380 HydrophobicContact CD2-CD2 4.02Å; L99-Y380 HydrophobicContact CD2-CE1 3.99Å; L99-Y380 HydrophobicContact CD2-CE2 3.33Å; L99-Y380 VanDerWaalsContact CD2-OH 3.31Å; L99-Y380 WeakPolarHBondContact CD2-OH 3.37Å; L99-Y380 HydrophobicContact CG-CE2 4.38Å
100D93.3Very high94.2Very high4 Ų427.6 Ų27.62%0.02113%0.129CC..Hα-helixtrans-65.8-42.8176.6-69.6-47.6000111.7R77 T95 T97 P98 R103 M104 R387R77-D100 HydrophobicContact CB-CB 4Å; R77-D100 WeakPolarHBondContact CD-OD1 3.4Å; R77-D100 HydrophobicContact CG-CB 4.42Å; R77-D100 IonicContact CZ-OD1 2.67Å; R77-D100 IonicContact NE-OD1 3.6Å; R77-D100 PolarHBondContact NE-OD1 3.42Å; T95-D100 VanDerWaalsContact OG1-CB 3.22Å; T95-D100 WeakPolarHBondContact OG1-CB 3.22Å; T97-D100 WeakPolarHBondContact O-CB 3.32Å; T97-D100 PolarHBondContact O-N 3.4Å; T97-D100 PolarHBondContact OG1-N 2.95Å; T97-D100 VanDerWaalsContact OG1-N 3.17Å; T97-D100 PolarHBondContact OG1-OD2 2.92Å; P98-D100 VanDerWaalsContact C-N 3.28Å; P98-D100 PolarHBondContact O-N 3.01Å; D100-R103 PolarHBondContact O-N 3.22Å; D100-M104 VanDerWaalsContact O-CG 3.29Å; D100-M104 WeakPolarHBondContact O-CG 3.41Å; D100-M104 PolarHBondContact O-N 2.62Å; D100-M104 VanDerWaalsContact O-N 3.14Å; D100-R387 IonicContact OD2-NH1 3.56Å; D100-R387 PolarHBondContact OD2-NH1 3.27Å
101A95.6Very high94.1Very high1 Ų132.4 Ų32.41%0.00815%0.148CC..Hα-helixtrans-63.1-39.6172.600000112.8T95 T97 P98 R103 M104 M105 L346 L349T95-A101 HydrophobicContact CG2-CB 3.73Å; T97-A101 PolarHBondContact O-N 2.89Å; P98-A101 PolarHBondContact O-N 3.45Å; A101-R103 PolarHBondContact O-N 3.41Å; A101-M104 WeakPolarHBondContact O-CB 3.43Å; A101-M104 PolarHBondContact O-N 2.79Å; A101-M105 WeakPolarHBondContact O-CB 3.14Å; A101-M105 PolarHBondContact O-N 2.62Å; A101-L346 HydrophobicContact CB-CB 3.93Å; A101-L346 HydrophobicContact CB-CD1 4.17Å; A101-L349 HydrophobicContact CB-CD1 4.04Å
102F96.1Very high93.9Very high18 Ų1836.5 Ų36.58%0.07918%0.176CC..Hα-helixtrans-59.7-48.5177.3178.3-92.4000110.9P98 L99 M104 M105 S106 L346 M370 K371 E373P98-F102 WeakPolarHBondContact O-CB 3.35Å; P98-F102 PolarHBondContact O-N 3.26Å; L99-F102 HydrophobicContact CD1-CD1 4.46Å; L99-F102 PolarHBondContact O-N 2.95Å; F102-M104 VanDerWaalsContact C-N 3.3Å; F102-M104 PolarHBondContact O-N 3.32Å; F102-M105 HydrophobicContact CD2-CE 3.78Å; F102-M105 HydrophobicContact CE2-CE 3.77Å; F102-M105 HydrophobicContact CZ-CE 4.49Å; F102-M105 PolarHBondContact O-N 3.48Å; F102-S106 WeakPolarHBondContact O-CB 3.46Å; F102-S106 PolarHBondContact O-N 3.07Å; F102-S106 PolarHBondContact O-OG 2.94Å; F102-L346 HydrophobicContact CB-CD1 3.98Å; F102-L346 HydrophobicContact CB-CD2 4.25Å; F102-L346 HydrophobicContact CD2-CD2 3.92Å; F102-M370 HydrophobicContact CB-CG 4.43Å; F102-M370 HydrophobicContact CB-SD 3.63Å; F102-M370 HydrophobicContact CD1-SD 4.37Å; F102-M370 HydrophobicContact CD2-CB 4.37Å; F102-M370 HydrophobicContact CD2-CG 3.89Å; F102-M370 HydrophobicContact CD2-SD 4.13Å; F102-M370 HydrophobicContact CE2-CG 4.43Å; F102-M370 HydrophobicContact CG-CG 4.17Å; F102-M370 HydrophobicContact CG-SD 3.78Å; F102-K371 WeakPolarHBondContact CE2-O 3.21Å; F102-E373 HydrophobicContact CD1-CB 4.33Å; F102-E373 HydrophobicContact CE1-CB 3.82Å
103R95.4Very high93.8Very high49 Ų4945.3 Ų45.319%0.18521%0.214CC..Hα-helixtrans-62.7-36.4177-72.6173.2171.6168.4-3.3112.5R77 L99 D100 A101 A107 E373 Y380R77-R103 HydrophobicContact CG-CB 4.3Å; L99-R103 HydrophobicContact CD1-CG 4.26Å; L99-R103 PolarHBondContact O-N 3.23Å; D100-R103 PolarHBondContact O-N 3.22Å; A101-R103 PolarHBondContact O-N 3.41Å; R103-A107 PolarHBondContact O-N 3.1Å; R103-A107 VanDerWaalsContact O-N 3.12Å; R103-E373 IonicContact CZ-OE1 3.81Å; R103-E373 IonicContact NE-OE1 3.3Å; R103-E373 PolarHBondContact NE-OE1 3.01Å; R103-E373 IonicContact NH2-OE1 2.83Å; R103-E373 PolarHBondContact NH2-OE1 3.37Å; R103-Y380 PolarHBondContact NH1-OH 3.3Å
104M96.8Very high94.1Very high1 Ų145.2 Ų45.21%0.00521%0.214CC..Hα-helixtrans-65.4-49.5173.9-69.6167.958.200111.1R77 A80 V81 C92 T95 D100 A101 F102 S106 A107 A108 M118 F342R77-M104 HydrophobicContact CB-CG 4.17Å; R77-M104 HydrophobicContact CB-SD 4.14Å; R77-M104 HydrophobicContact CG-CG 4.05Å; A80-M104 HydrophobicContact CB-CE 3.88Å; A80-M104 HydrophobicContact CB-CG 4.06Å; A80-M104 HydrophobicContact CB-SD 4.33Å; V81-M104 HydrophobicContact CG2-CG 4.32Å; C92-M104 HydrophobicContact CB-CE 3.94Å; T95-M104 HydrophobicContact CG2-SD 4.22Å; D100-M104 VanDerWaalsContact O-CG 3.29Å; D100-M104 WeakPolarHBondContact O-CG 3.41Å; D100-M104 PolarHBondContact O-N 2.62Å; D100-M104 VanDerWaalsContact O-N 3.14Å; A101-M104 WeakPolarHBondContact O-CB 3.43Å; A101-M104 PolarHBondContact O-N 2.79Å; F102-M104 VanDerWaalsContact C-N 3.3Å; F102-M104 PolarHBondContact O-N 3.32Å; M104-S106 PolarHBondContact O-N 3.27Å; M104-A107 WeakPolarHBondContact O-CB 3.28Å; M104-A107 PolarHBondContact O-N 3.49Å; M104-A108 PolarHBondContact O-N 3.16Å; M104-M118 HydrophobicContact CE-SD 4.12Å; M104-F342 VanDerWaalsContact C-CD2 3.45Å; M104-F342 HydrophobicContact CB-CB 4.39Å; M104-F342 HydrophobicContact CB-CD2 3.65Å; M104-F342 HydrophobicContact CB-CE2 3.93Å; M104-F342 HydrophobicContact CB-CG 4Å; M104-F342 HydrophobicContact CE-CD1 3.82Å; M104-F342 HydrophobicContact CE-CD2 4.41Å; M104-F342 HydrophobicContact CE-CE1 3.48Å; M104-F342 VanDerWaalsContact CE-CE1 3.48Å; M104-F342 HydrophobicContact CE-CE2 4.08Å; M104-F342 HydrophobicContact CE-CG 4.27Å; M104-F342 HydrophobicContact CE-CZ 3.6Å; M104-F342 VanDerWaalsContact O-CD2 3.28Å; M104-F342 WeakPolarHBondContact O-CD2 3.47Å
105M96.8Very high94.6Very high19 Ų1943 Ų439%0.09421%0.205CC..Hα-helixtrans-56.6-47.7176.3177.4-147.569.500111.4A101 F102 A107 A108 Q109 F342 E343 L346A101-M105 WeakPolarHBondContact O-CB 3.14Å; A101-M105 PolarHBondContact O-N 2.62Å; F102-M105 HydrophobicContact CD2-CE 3.78Å; F102-M105 HydrophobicContact CE2-CE 3.77Å; F102-M105 HydrophobicContact CZ-CE 4.49Å; F102-M105 PolarHBondContact O-N 3.48Å; M105-A107 VanDerWaalsContact C-N 3.32Å; M105-A107 PolarHBondContact O-N 3.41Å; M105-A108 WeakPolarHBondContact O-CB 3.48Å; M105-A108 PolarHBondContact O-N 3.25Å; M105-A108 VanDerWaalsContact O-N 3.1Å; M105-Q109 WeakPolarHBondContact O-CG 3.45Å; M105-Q109 PolarHBondContact O-N 3.2Å; M105-F342 HydrophobicContact CB-CB 3.96Å; M105-E343 HydrophobicContact CG-CB 4.12Å; M105-E343 HydrophobicContact SD-CB 4.33Å; M105-E343 HydrophobicContact SD-CG 4.13Å; M105-L346 HydrophobicContact CE-CD2 4.37Å; M105-L346 HydrophobicContact SD-CD2 3.73Å
106S96.3Very high94.9Very high25 Ų2544 Ų4418%0.17521%0.212CC..Hα-helixtrans-57.5-45.8176.4-60.80000111.1F102 M104 A108 Q109 Y110F102-S106 WeakPolarHBondContact O-CB 3.46Å; F102-S106 PolarHBondContact O-N 3.07Å; F102-S106 PolarHBondContact O-OG 2.94Å; M104-S106 PolarHBondContact O-N 3.27Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 2.91Å; S106-Q109 PolarHBondContact O-N 3.5Å; S106-Y110 WeakPolarHBondContact O-CD2 3.25Å; S106-Y110 PolarHBondContact O-N 2.93Å
107A96.1Very high95.4Very high10 Ų1044 Ų448%0.08321%0.212CC..Hα-helixtrans-60.8-41.3175.500000112.4V81 L84 R103 M104 M105 Q109 Y110 Y111V81-A107 HydrophobicContact CB-CB 4.35Å; V81-A107 HydrophobicContact CG1-CB 4.1Å; V81-A107 HydrophobicContact CG2-CB 4.06Å; L84-A107 HydrophobicContact CD1-CB 3.94Å; R103-A107 PolarHBondContact O-N 3.1Å; R103-A107 VanDerWaalsContact O-N 3.12Å; M104-A107 WeakPolarHBondContact O-CB 3.28Å; M104-A107 PolarHBondContact O-N 3.49Å; M105-A107 VanDerWaalsContact C-N 3.32Å; M105-A107 PolarHBondContact O-N 3.41Å; A107-Q109 PolarHBondContact O-N 3.39Å; A107-Y110 PolarHBondContact O-N 3.25Å; A107-Y111 VanDerWaalsContact O-CD2 3.31Å; A107-Y111 WeakPolarHBondContact O-CD2 3.46Å; A107-Y111 PolarHBondContact O-N 3.24Å
108A96.6Very high95.6Very high12 Ų1243.1 Ų43.110%0.09921%0.206CC..Hα-helixtrans-63.1-40.4175.900000112.4L84 M104 M105 S106 Y110 Y111 S116 F342L84-A108 HydrophobicContact CD1-CB 4.13Å; M104-A108 PolarHBondContact O-N 3.16Å; M105-A108 WeakPolarHBondContact O-CB 3.48Å; M105-A108 PolarHBondContact O-N 3.25Å; M105-A108 VanDerWaalsContact O-N 3.1Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 2.91Å; A108-Y110 VanDerWaalsContact C-N 3.3Å; A108-Y110 PolarHBondContact O-N 2.92Å; A108-Y111 CarbonylContact O-C 3.46Å; A108-Y111 PolarHBondContact O-N 3.21Å; A108-S116 VanDerWaalsContact CB-OG 3.25Å; A108-S116 WeakPolarHBondContact CB-OG 3.05Å; A108-F342 HydrophobicContact CB-CD2 3.78Å; A108-F342 HydrophobicContact CB-CE2 4.42Å
109Q95.9Very high95.6Very high120 Ų12043 Ų4356%0.56121%0.205SC*.Hα-helixtrans-64.4-32.9175.8-71.9176-12.700112.8M105 S106 A107 Y111 P112M105-Q109 WeakPolarHBondContact O-CG 3.45Å; M105-Q109 PolarHBondContact O-N 3.2Å; S106-Q109 PolarHBondContact O-N 3.5Å; A107-Q109 PolarHBondContact O-N 3.39Å; Q109-Y111 VanDerWaalsContact C-N 3.29Å; Q109-P112 WeakPolarHBondContact O-CD 3.47Å
110Y96.5Very high95.6Very high187 Ų18743 Ų4373%0.73321%0.205SC*.Hα-helixtrans-69.1-26.1172.4-79.4-70.2000113S106 A107 A108 P112S106-Y110 WeakPolarHBondContact O-CD2 3.25Å; S106-Y110 PolarHBondContact O-N 2.93Å; A107-Y110 PolarHBondContact O-N 3.25Å; A108-Y110 VanDerWaalsContact C-N 3.3Å; A108-Y110 PolarHBondContact O-N 2.92Å; Y110-P112 VanDerWaalsContact C-CD 3.45Å; Y110-P112 WeakPolarHBondContact O-CD 3.47Å
111Y95.3Very high95.7Very high102 Ų10243.1 Ų43.140%0.421%0.206SC..  trans-126.260.9-178.2-59.7-77000112.5L84 A107 A108 Q109 K113 L114L84-Y111 HydrophobicContact CB-CD2 4.09Å; A107-Y111 VanDerWaalsContact O-CD2 3.31Å; A107-Y111 WeakPolarHBondContact O-CD2 3.46Å; A107-Y111 PolarHBondContact O-N 3.24Å; A108-Y111 CarbonylContact O-C 3.46Å; A108-Y111 PolarHBondContact O-N 3.21Å; Q109-Y111 VanDerWaalsContact C-N 3.29Å; Y111-K113 PolarHBondContact O-N 2.95Å; Y111-L114 HydrophobicContact CD1-CD1 4.45Å; Y111-L114 HydrophobicContact CG-CD1 4.12Å; Y111-L114 PolarHBondContact O-N 2.98Å
112P93.7Very high95.7Very high102 Ų10243.1 Ų43.166%0.66221%0.206SC*.THydrogen-bonded Turntrans-68.6-12.3-16929.8-37.1000114.1Q109 Y110Q109-P112 WeakPolarHBondContact O-CD 3.47Å; Y110-P112 VanDerWaalsContact C-CD 3.45Å; Y110-P112 WeakPolarHBondContact O-CD 3.47Å
113K93.5Very high95.8Very high186 Ų18642.9 Ų42.981%0.80921%0.205SC*.THydrogen-bonded Turntrans-81.1-18.9175-64.6-174.5179.3-177.60112.7Y111 W331Y111-K113 PolarHBondContact O-N 2.95Å; K113-W331 PolarHBondContact O-NE1 3.16Å
114L95.8Very high95.8Very high22 Ų2241 Ų4112%0.11520%0.198CC..SBendtrans-85140.4177.5-60.1175.1000109.4L84 N89 Y111 S116L84-L114 HydrophobicContact CD2-CB 3.82Å; L84-L114 HydrophobicContact CD2-CD1 3.85Å; L84-L114 WeakPolarHBondContact O-CD1 3.34Å; N89-L114 WeakPolarHBondContact OD1-CA 3.26Å; Y111-L114 HydrophobicContact CD1-CD1 4.45Å; Y111-L114 HydrophobicContact CG-CD1 4.12Å; Y111-L114 PolarHBondContact O-N 2.98Å; L114-S116 PolarHBondContact O-N 2.84Å
115L97.1Very high95.7Very high0 Ų041 Ų410%020%0.198CC..  trans-64.4124.2169.8176.871.1000108.6L66 N89 V90 I117 F322 W331 L336L66-L115 HydrophobicContact CD1-CD2 4.25Å; N89-L115 HydrophobicContact CB-CB 3.97Å; N89-L115 WeakPolarHBondContact OD1-CB 3.34Å; N89-L115 PolarHBondContact OD1-N 3.38Å; V90-L115 PolarHBondContact N-O 2.77Å; L115-I117 HydrophobicContact CD1-CD1 4.44Å; L115-I117 HydrophobicContact CD1-CG1 4.35Å; L115-I117 HydrophobicContact CD1-CG2 3.68Å; L115-I117 HydrophobicContact CG-CG1 4.43Å; L115-I117 HydrophobicContact CG-CG2 4.45Å; L115-F322 HydrophobicContact CD2-CE2 3.88Å; L115-F322 HydrophobicContact CD2-CZ 4.09Å; L115-W331 HydrophobicContact CB-CD2 3.96Å; L115-W331 HydrophobicContact CB-CG 4.17Å; L115-W331 HydrophobicContact CB-CZ2 4.16Å; L115-W331 HydrophobicContact CD1-CD2 4Å; L115-W331 HydrophobicContact CD1-CE3 3.73Å; L115-W331 HydrophobicContact CD1-CH2 3.71Å; L115-W331 HydrophobicContact CD1-CZ2 3.99Å; L115-W331 HydrophobicContact CD1-CZ3 3.54Å; L115-W331 VanDerWaalsContact N-NE1 3.14Å; L115-L336 HydrophobicContact CD1-CD1 3.58Å; L115-L336 HydrophobicContact CD2-CD1 4.29Å
116S96.8Very high95.6Very high21 Ų2141.6 Ų41.615%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-139.193.8175.3610000110V90 A108 L114V90-S116 WeakPolarHBondContact O-CA 3.19Å; A108-S116 VanDerWaalsContact CB-OG 3.25Å; A108-S116 WeakPolarHBondContact CB-OG 3.05Å; L114-S116 PolarHBondContact O-N 2.84Å
117I97.1Very high95.6Very high8 Ų840.4 Ų40.44%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-125.1155.6-176.862.7169.3000112V90 I91 C92 L115 V318 L336 A339 A340V90-I117 PolarHBondContact O-N 3.35Å; V90-I117 VanDerWaalsContact O-N 3.16Å; I91-I117 WeakPolarHBondContact CA-O 3.38Å; I91-I117 HydrophobicContact CB-CG1 4.38Å; I91-I117 HydrophobicContact CD1-CD1 4.34Å; I91-I117 HydrophobicContact CG1-CD1 4.04Å; I91-I117 HydrophobicContact CG1-CG1 3.78Å; I91-I117 HydrophobicContact CG2-CG1 4.31Å; C92-I117 PolarHBondContact N-O 2.86Å; L115-I117 HydrophobicContact CD1-CD1 4.44Å; L115-I117 HydrophobicContact CD1-CG1 4.35Å; L115-I117 HydrophobicContact CD1-CG2 3.68Å; L115-I117 HydrophobicContact CG-CG1 4.43Å; L115-I117 HydrophobicContact CG-CG2 4.45Å; I117-V318 HydrophobicContact CD1-CG2 4.08Å; I117-L336 HydrophobicContact CD1-CD2 4.34Å; I117-A339 HydrophobicContact CB-CB 4.15Å; I117-A339 HydrophobicContact CD1-CB 4.29Å; I117-A339 HydrophobicContact CG2-CB 3.71Å; I117-A340 CarbonylContact C-O 3.51Å; I117-A340 WeakPolarHBondContact CA-O 3.44Å
118M96.8Very high95.7Very high2 Ų240 Ų401%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-93.1147.9172.5-65.8-66.3-53.400110.8C92 D93 M104 N120 A340 T341 F342 C345C92-M118 HydrophobicContact CB-SD 4.11Å; C92-M118 CarbonylContact O-C 3.55Å; C92-M118 VanDerWaalsContact O-CA 3.23Å; C92-M118 WeakPolarHBondContact O-CA 3.46Å; C92-M118 WeakPolarHBondContact O-CE 3.12Å; D93-M118 WeakPolarHBondContact O-CE 3.49Å; M104-M118 HydrophobicContact CE-SD 4.12Å; M118-N120 PolarHBondContact O-N 3.12Å; M118-A340 HydrophobicContact CB-CB 4.01Å; M118-A340 PolarHBondContact N-O 3.44Å; M118-T341 VanDerWaalsContact CG-O 3.29Å; M118-T341 WeakPolarHBondContact CG-O 3.25Å; M118-F342 HydrophobicContact CG-CD1 3.73Å; M118-F342 HydrophobicContact CG-CE1 4.21Å; M118-F342 HydrophobicContact SD-CD1 3.38Å; M118-F342 WeakPolarHBondContact SD-CD1 3.29Å; M118-F342 HydrophobicContact SD-CE1 3.53Å; M118-F342 VanDerWaalsContact SD-CE1 3.53Å; M118-C345 HydrophobicContact CE-CB 3.92Å; M118-C345 HydrophobicContact CG-CB 3.64Å; M118-C345 HydrophobicContact SD-CB 3.87Å
119G93.1Very high95.6Very high3 Ų340.9 Ų40.93%0.03120%0.195CC..  trans-72.238.1177.200000114.5C92 V121 Y179C92-G119 PolarHBondContact O-N 3.45Å; G119-V121 WeakPolarHBondContact O-CG1 3.39Å; G119-V121 PolarHBondContact O-N 2.87Å; G119-Y179 WeakPolarHBondContact O-CE1 3.3Å
120N94.3Very high95.7Very high10 Ų1038.4 Ų38.45%0.05318%0.181CC..  trans-79.770.5179.5-66.36.8000111.3M118 L122 R123 Y179 D182 A340M118-N120 PolarHBondContact O-N 3.12Å; N120-L122 PolarHBondContact O-N 2.84Å; N120-L122 VanDerWaalsContact O-N 3.13Å; N120-R123 PolarHBondContact O-N 2.97Å; N120-Y179 HydrophobicContact CB-CD1 4.16Å; N120-Y179 HydrophobicContact CB-CE1 4.33Å; N120-Y179 WeakPolarHBondContact OD1-CE1 3.4Å; N120-D182 WeakPolarHBondContact CB-OD2 3.41Å; N120-D182 WeakPolarHBondContact ND2-CB 3.27Å; N120-D182 PolarHBondContact ND2-OD1 2.88Å; N120-D182 VanDerWaalsContact ND2-OD1 3.08Å; N120-D182 PolarHBondContact ND2-OD2 3.35Å; N120-A340 HydrophobicContact CB-CB 3.62Å; N120-A340 WeakPolarHBondContact ND2-CB 3.27Å
121V94.8Very high95.8Very high7 Ų729.6 Ų29.64%0.04215%0.147CC..G310 helixtrans-61.3-23-170.2-68.40000114.5G119 R123 F124 Y307 G310 T311 M314G119-V121 WeakPolarHBondContact O-CG1 3.39Å; G119-V121 PolarHBondContact O-N 2.87Å; V121-R123 PolarHBondContact O-N 2.88Å; V121-F124 PolarHBondContact O-N 3.22Å; V121-Y307 HydrophobicContact CG2-CD1 4Å; V121-G310 VanDerWaalsContact O-CA 3.27Å; V121-G310 WeakPolarHBondContact O-CA 3.34Å; V121-T311 WeakPolarHBondContact CG1-OG1 3.23Å; V121-M314 HydrophobicContact CG1-CB 4.49Å; V121-M314 HydrophobicContact CG1-CE 3.84Å; V121-M314 HydrophobicContact CG1-SD 3.93Å
122L95.9Very high95.9Very high2 Ų227.3 Ų27.31%0.0114%0.139CC..G310 helixtrans-62.7-27.4177.6-63.8-175.8000112.8N120 F124 L125 F128 I180 L183 P306 Y307N120-L122 PolarHBondContact O-N 2.84Å; N120-L122 VanDerWaalsContact O-N 3.13Å; L122-F124 PolarHBondContact O-N 2.88Å; L122-L125 WeakPolarHBondContact O-CB 3.35Å; L122-L125 PolarHBondContact O-N 3.14Å; L122-F128 HydrophobicContact CB-CD2 4.37Å; L122-F128 WeakPolarHBondContact O-CD2 3.49Å; L122-I180 HydrophobicContact CD1-CD1 4.33Å; L122-L183 HydrophobicContact CB-CD1 4.3Å; L122-L183 HydrophobicContact CB-CD2 4.44Å; L122-L183 HydrophobicContact CD1-CD2 4.1Å; L122-P306 HydrophobicContact CD2-CB 4.33Å; L122-Y307 HydrophobicContact CD1-CE1 4.23Å; L122-Y307 HydrophobicContact CD2-CD1 4.3Å; L122-Y307 HydrophobicContact CD2-CD2 4.33Å; L122-Y307 HydrophobicContact CD2-CE1 4.18Å; L122-Y307 HydrophobicContact CD2-CE2 4.17Å; L122-Y307 HydrophobicContact CD2-CG 4.37Å; L122-Y307 HydrophobicContact CG-CE1 4.16Å
123R96.9Very high96Very high13 Ų1326.2 Ų26.25%0.04913%0.125CC..G310 helixtrans-65.4-20.7174.8-62.4-167.9-178.6-163.2-2.6113.1N120 V121 V129 D182 F186 M338 D344N120-R123 PolarHBondContact O-N 2.97Å; V121-R123 PolarHBondContact O-N 2.88Å; R123-V129 WeakPolarHBondContact O-CG2 3.37Å; R123-D182 IonicContact CZ-OD1 3.87Å; R123-D182 IonicContact CZ-OD2 3.32Å; R123-D182 IonicContact NE-OD1 2.61Å; R123-D182 PolarHBondContact NE-OD1 3.36Å; R123-D182 IonicContact NE-OD2 3.47Å; R123-D182 PolarHBondContact NE-OD2 2.83Å; R123-D182 IonicContact NH2-OD1 3.9Å; R123-D182 PolarHBondContact NH2-OD1 3Å; R123-D182 IonicContact NH2-OD2 2.79Å; R123-F186 HydrophobicContact CB-CD1 4.32Å; R123-F186 HydrophobicContact CB-CE1 4.27Å; R123-F186 HydrophobicContact CB-CZ 4.43Å; R123-F186 HydrophobicContact CG-CB 4.19Å; R123-F186 HydrophobicContact CG-CD1 3.97Å; R123-F186 HydrophobicContact CG-CD2 4.25Å; R123-F186 HydrophobicContact CG-CE1 4.42Å; R123-F186 HydrophobicContact CG-CG 3.87Å; R123-M338 WeakPolarHBondContact CD-O 3.46Å; R123-D344 IonicContact CZ-OD1 3.47Å; R123-D344 IonicContact NH1-OD1 2.71Å; R123-D344 IonicContact NH1-OD2 3.82Å; R123-D344 IonicContact NH2-OD1 3.75Å; R123-D344 PolarHBondContact NH2-OD1 2.83Å; R123-D344 IonicContact NH2-OD2 2.93Å
124F95.7Very high96.2Very high10 Ų1017.6 Ų17.64%0.0449%0.088CC..G310 helixtrans-97.6-0.9178.7-65.5-89.9000113.3V121 L122 R313 M314 A317 L336 M338 A339V121-F124 PolarHBondContact O-N 3.22Å; L122-F124 PolarHBondContact O-N 2.88Å; F124-R313 HydrophobicContact CB-CB 3.87Å; F124-R313 VanDerWaalsContact O-CB 3.3Å; F124-R313 WeakPolarHBondContact O-CB 3.27Å; F124-M314 HydrophobicContact CB-CB 4.33Å; F124-M314 HydrophobicContact CD1-CB 4.24Å; F124-M314 HydrophobicContact CD2-CB 3.67Å; F124-M314 HydrophobicContact CD2-CG 3.85Å; F124-M314 HydrophobicContact CD2-SD 4.42Å; F124-M314 HydrophobicContact CE1-CB 4.47Å; F124-M314 HydrophobicContact CE1-CG 4.42Å; F124-M314 HydrophobicContact CE2-CB 3.93Å; F124-M314 HydrophobicContact CE2-CG 3.57Å; F124-M314 HydrophobicContact CE2-SD 4.11Å; F124-M314 HydrophobicContact CG-CB 3.82Å; F124-M314 HydrophobicContact CG-CG 4.38Å; F124-M314 HydrophobicContact CZ-CB 4.32Å; F124-M314 HydrophobicContact CZ-CG 3.88Å; F124-A317 HydrophobicContact CD1-CB 4.08Å; F124-A317 HydrophobicContact CE1-CB 3.64Å; F124-L336 HydrophobicContact CE1-CD2 4.05Å; F124-L336 HydrophobicContact CZ-CD2 3.91Å; F124-M338 HydrophobicContact CD1-CG 4.05Å; F124-M338 HydrophobicContact CD1-SD 3.9Å; F124-M338 HydrophobicContact CE1-CG 3.78Å; F124-M338 HydrophobicContact CE1-SD 4.18Å; F124-M338 HydrophobicContact CG-SD 4.49Å; F124-M338 HydrophobicContact CZ-CG 4.15Å; F124-A339 HydrophobicContact CE2-CB 4.27Å; F124-A339 HydrophobicContact CZ-CB 3.81Å
125L94.8Very high96.3Very high0 Ų018.2 Ų18.20%09%0.091CC..  trans-69.5126.1176.8-17268.7000109.3L122 A127 F128 V129 T263 P306 T309L122-L125 WeakPolarHBondContact O-CB 3.35Å; L122-L125 PolarHBondContact O-N 3.14Å; L125-A127 HydrophobicContact CD2-CB 4.35Å; L125-A127 HydrophobicContact CG-CB 4.4Å; L125-A127 PolarHBondContact O-N 3.33Å; L125-A127 VanDerWaalsContact O-N 3.1Å; L125-F128 HydrophobicContact CB-CD2 3.93Å; L125-F128 HydrophobicContact CD2-CD2 3.58Å; L125-F128 HydrophobicContact CD2-CE2 3.67Å; L125-F128 HydrophobicContact CG-CD2 4.31Å; L125-F128 PolarHBondContact O-N 3.48Å; L125-V129 PolarHBondContact O-N 2.71Å; L125-T263 HydrophobicContact CD1-CG2 4.15Å; L125-P306 HydrophobicContact CD2-CB 4.17Å; L125-T309 HydrophobicContact CD1-CG2 3.83Å
126P94.8Very high96.3Very high31 Ų3125 Ų2520%0.20112%0.123CC..Hα-helixtrans-54.5-36.7-175.5-28.636.3000113.8V129 R130 L284 R313P126-V129 PolarHBondContact O-N 3.3Å; P126-R130 WeakPolarHBondContact O-CB 3.27Å; P126-R130 PolarHBondContact O-N 3.41Å; P126-L284 HydrophobicContact CB-CD1 4.28Å; P126-L284 HydrophobicContact CB-CD2 4.42Å; P126-R313 HydrophobicContact CG-CG 4.47Å
127A96.3Very high96.3Very high0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-59.5-46.6174.700000112.5L125 R130 V131 V260 T263 L265L125-A127 HydrophobicContact CD2-CB 4.35Å; L125-A127 HydrophobicContact CG-CB 4.4Å; L125-A127 PolarHBondContact O-N 3.33Å; L125-A127 VanDerWaalsContact O-N 3.1Å; A127-R130 PolarHBondContact O-N 3.14Å; A127-V131 VanDerWaalsContact O-CG2 3.31Å; A127-V131 WeakPolarHBondContact O-CG2 3.3Å; A127-V131 PolarHBondContact O-N 2.55Å; A127-V260 HydrophobicContact CB-CG1 3.84Å; A127-V260 HydrophobicContact CB-CG2 4.06Å; A127-T263 WeakPolarHBondContact CB-O 3.35Å; A127-L265 HydrophobicContact CB-CB 4.15Å
128F97.5Very high96.2Very high1 Ų131.1 Ų31.10%0.00416%0.157CC..Hα-helixtrans-75.2-31.8-179.8-71.1-51.1000113.4L122 L125 R130 V131 K132 L183 L187 V249 V260L122-F128 HydrophobicContact CB-CD2 4.37Å; L122-F128 WeakPolarHBondContact O-CD2 3.49Å; L125-F128 HydrophobicContact CB-CD2 3.93Å; L125-F128 HydrophobicContact CD2-CD2 3.58Å; L125-F128 HydrophobicContact CD2-CE2 3.67Å; L125-F128 HydrophobicContact CG-CD2 4.31Å; L125-F128 PolarHBondContact O-N 3.48Å; F128-R130 VanDerWaalsContact C-N 3.32Å; F128-V131 HydrophobicContact CD1-CG2 4.49Å; F128-V131 PolarHBondContact O-N 2.99Å; F128-K132 PolarHBondContact O-N 2.88Å; F128-L183 HydrophobicContact CB-CD1 3.97Å; F128-L183 HydrophobicContact CD1-CD1 3.99Å; F128-L183 HydrophobicContact CD1-CD2 4.13Å; F128-L183 HydrophobicContact CD1-CG 4.5Å; F128-L183 HydrophobicContact CD2-CD1 3.81Å; F128-L183 HydrophobicContact CD2-CD2 3.93Å; F128-L183 HydrophobicContact CE1-CD1 4.48Å; F128-L183 HydrophobicContact CE1-CD2 3.77Å; F128-L183 HydrophobicContact CE2-CD1 4.33Å; F128-L183 HydrophobicContact CE2-CD2 3.57Å; F128-L183 HydrophobicContact CG-CD1 3.65Å; F128-L183 HydrophobicContact CG-CD2 4.23Å; F128-L183 HydrophobicContact CZ-CD2 3.5Å; F128-L183 VanDerWaalsContact CZ-CD2 3.5Å; F128-L187 HydrophobicContact CB-CD2 4.25Å; F128-L187 HydrophobicContact CD1-CD1 3.89Å; F128-L187 HydrophobicContact CD1-CD2 4.41Å; F128-L187 HydrophobicContact CE1-CD1 4.33Å; F128-L187 VanDerWaalsContact O-CD2 3.31Å; F128-L187 WeakPolarHBondContact O-CD2 3.42Å; F128-V249 HydrophobicContact CE1-CB 3.83Å; F128-V249 HydrophobicContact CE1-CG1 4.11Å; F128-V249 HydrophobicContact CE1-CG2 4.07Å; F128-V249 HydrophobicContact CZ-CB 4Å; F128-V249 HydrophobicContact CZ-CG2 3.76Å; F128-V260 HydrophobicContact CD1-CB 4.34Å; F128-V260 HydrophobicContact CD1-CG2 3.88Å; F128-V260 HydrophobicContact CE1-CB 3.61Å; F128-V260 HydrophobicContact CE1-CG1 3.87Å; F128-V260 HydrophobicContact CE1-CG2 3.61Å; F128-V260 HydrophobicContact CE2-CG1 4.26Å; F128-V260 HydrophobicContact CZ-CB 3.89Å; F128-V260 HydrophobicContact CZ-CG1 3.71Å; F128-V260 HydrophobicContact CZ-CG2 4.33Å
129V96.2Very high96.2Very high31 Ų3132.6 Ų32.619%0.18816%0.163CC..Hα-helixtrans-58.5-48.4168.3177.10000109.5R123 L125 P126 V131 K132 E133 M338R123-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 2.71Å; P126-V129 PolarHBondContact O-N 3.3Å; V129-V131 PolarHBondContact O-N 3.19Å; V129-K132 WeakPolarHBondContact O-CB 3.27Å; V129-K132 PolarHBondContact O-N 2.85Å; V129-E133 WeakPolarHBondContact O-CG 3.1Å; V129-E133 PolarHBondContact O-N 3.2Å; V129-E133 VanDerWaalsContact O-N 3.12Å; V129-M338 HydrophobicContact CG1-CE 4.42Å; V129-M338 HydrophobicContact CG2-CE 4.31Å; V129-M338 HydrophobicContact CG2-SD 3.86Å
130R97.2Very high96.3Very high69 Ų6932.6 Ų32.626%0.2616%0.162SC..Hα-helixtrans-67.2-34.4178.4-17457.9-173.5145.77.9113.2P126 A127 F128 K132 E133 L134 E137 L265 L284P126-R130 WeakPolarHBondContact O-CB 3.27Å; P126-R130 PolarHBondContact O-N 3.41Å; A127-R130 PolarHBondContact O-N 3.14Å; F128-R130 VanDerWaalsContact C-N 3.32Å; R130-K132 VanDerWaalsContact C-N 3.33Å; R130-E133 WeakPolarHBondContact CD-OE2 3.4Å; R130-E133 IonicContact CZ-OE2 2.67Å; R130-E133 IonicContact NE-OE2 3.85Å; R130-E133 IonicContact NH1-OE2 2.8Å; R130-E133 PolarHBondContact NH1-OE2 3.42Å; R130-E133 PolarHBondContact O-N 3.36Å; R130-L134 HydrophobicContact CG-CD1 4Å; R130-L134 HydrophobicContact CG-CG 4.38Å; R130-L134 WeakPolarHBondContact O-CB 3.31Å; R130-L134 VanDerWaalsContact O-CG 3.27Å; R130-L134 WeakPolarHBondContact O-CG 3.5Å; R130-L134 PolarHBondContact O-N 3.12Å; R130-E137 IonicContact CZ-OE1 3.11Å; R130-E137 IonicContact CZ-OE2 2.94Å; R130-E137 IonicContact NH1-OE1 3.18Å; R130-E137 PolarHBondContact NH1-OE1 2.82Å; R130-E137 IonicContact NH1-OE2 3.15Å; R130-E137 IonicContact NH2-OE1 2.74Å; R130-E137 PolarHBondContact NH2-OE1 3.29Å; R130-E137 IonicContact NH2-OE2 3.85Å; R130-E137 PolarHBondContact NH2-OE2 3.01Å; R130-L265 HydrophobicContact CB-CD2 3.83Å; R130-L265 HydrophobicContact CG-CD2 3.64Å; R130-L284 HydrophobicContact CB-CD1 4.16Å
131V98.1Very high96.4Very high2 Ų233.7 Ų33.71%0.01218%0.176CC..Hα-helixtrans-57.9-49.3171.6170.60000109.9A127 F128 V129 E133 L134 L135 L187 V251 L258 V260 L265A127-V131 VanDerWaalsContact O-CG2 3.31Å; A127-V131 WeakPolarHBondContact O-CG2 3.3Å; A127-V131 PolarHBondContact O-N 2.55Å; F128-V131 HydrophobicContact CD1-CG2 4.49Å; F128-V131 PolarHBondContact O-N 2.99Å; V129-V131 PolarHBondContact O-N 3.19Å; V131-E133 PolarHBondContact O-N 3.02Å; V131-L134 PolarHBondContact O-N 3.19Å; V131-L135 HydrophobicContact CG1-CD1 3.97Å; V131-L135 HydrophobicContact CG1-CG 4.2Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.33Å; V131-L135 PolarHBondContact O-N 3.27Å; V131-L187 HydrophobicContact CB-CD2 4.06Å; V131-L187 HydrophobicContact CG1-CD1 4.2Å; V131-L187 HydrophobicContact CG1-CD2 3.88Å; V131-V251 HydrophobicContact CG1-CG2 4.38Å; V131-L258 HydrophobicContact CG1-CD1 4.08Å; V131-V260 HydrophobicContact CG2-CG2 3.62Å; V131-L265 HydrophobicContact CG2-CD1 3.44Å; V131-L265 VanDerWaalsContact CG2-CD1 3.44Å; V131-L265 HydrophobicContact CG2-CD2 4.19Å; V131-L265 HydrophobicContact CG2-CG 4.43Å
132K97.5Very high96.5Very high54 Ų5440.3 Ų40.324%0.23521%0.207CC..Hα-helixtrans-58.3-47.1-179.9-177.1168.7-178.7141.70112.1F128 V129 R130 L134 L135 E136 F186 L187F128-K132 PolarHBondContact O-N 2.88Å; V129-K132 WeakPolarHBondContact O-CB 3.27Å; V129-K132 PolarHBondContact O-N 2.85Å; R130-K132 VanDerWaalsContact C-N 3.33Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 2.89Å; K132-L135 WeakPolarHBondContact O-CB 3.47Å; K132-L135 PolarHBondContact O-N 2.85Å; K132-E136 VanDerWaalsContact CE-OE1 3.3Å; K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 WeakPolarHBondContact O-CG 3.14Å; K132-E136 PolarHBondContact O-N 3.2Å; K132-F186 HydrophobicContact CB-CE1 4.4Å; K132-F186 HydrophobicContact CD-CD1 4.33Å; K132-F186 HydrophobicContact CD-CD2 4.31Å; K132-F186 HydrophobicContact CD-CE1 3.7Å; K132-F186 HydrophobicContact CD-CE2 3.68Å; K132-F186 HydrophobicContact CD-CZ 3.33Å; K132-F186 VanDerWaalsContact NZ-CE2 3.27Å; K132-F186 PolarHBondContact NZ-O 3.16Å; K132-L187 HydrophobicContact CB-CD2 4.12Å
133E97.1Very high96.6Very high78 Ų7841.9 Ų41.936%0.36422%0.215SC..Hα-helixtrans-57.7-45.3175.2-66.4169.7-179.500111.9V129 R130 V131 L135 E136 E137V129-E133 WeakPolarHBondContact O-CG 3.1Å; V129-E133 PolarHBondContact O-N 3.2Å; V129-E133 VanDerWaalsContact O-N 3.12Å; R130-E133 WeakPolarHBondContact CD-OE2 3.4Å; R130-E133 IonicContact CZ-OE2 2.67Å; R130-E133 IonicContact NE-OE2 3.85Å; R130-E133 IonicContact NH1-OE2 2.8Å; R130-E133 PolarHBondContact NH1-OE2 3.42Å; R130-E133 PolarHBondContact O-N 3.36Å; V131-E133 PolarHBondContact O-N 3.02Å; E133-L135 VanDerWaalsContact C-N 3.31Å; E133-L135 PolarHBondContact O-N 3.47Å; E133-E136 PolarHBondContact O-N 3.13Å; E133-E137 WeakPolarHBondContact O-CB 3.4Å; E133-E137 VanDerWaalsContact O-CG 3.26Å; E133-E137 WeakPolarHBondContact O-CG 3.2Å; E133-E137 PolarHBondContact O-N 3.41Å
134L97.7Very high96.6Very high6 Ų645.1 Ų45.13%0.03123%0.232CC..Hα-helixtrans-65.9-32.2178.8-74.1167.6000113R130 V131 K132 G138 Y139 L258 L265 L283R130-L134 HydrophobicContact CG-CD1 4Å; R130-L134 HydrophobicContact CG-CG 4.38Å; R130-L134 WeakPolarHBondContact O-CB 3.31Å; R130-L134 VanDerWaalsContact O-CG 3.27Å; R130-L134 WeakPolarHBondContact O-CG 3.5Å; R130-L134 PolarHBondContact O-N 3.12Å; V131-L134 PolarHBondContact O-N 3.19Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 2.89Å; L134-G138 PolarHBondContact O-N 3.02Å; L134-Y139 HydrophobicContact CB-CG 4.48Å; L134-Y139 HydrophobicContact CD2-CD2 3.78Å; L134-Y139 HydrophobicContact CD2-CG 4.13Å; L134-Y139 WeakPolarHBondContact O-CB 3.44Å; L134-Y139 PolarHBondContact O-N 3.39Å; L134-L258 HydrophobicContact CB-CD1 3.73Å; L134-L258 HydrophobicContact CD1-CD1 4.2Å; L134-L258 HydrophobicContact CD1-CD2 3.73Å; L134-L265 HydrophobicContact CD1-CD2 3.97Å; L134-L283 HydrophobicContact CD1-CD1 3.74Å
135L97.3Very high96.7Very high34 Ų3446.8 Ų46.818%0.17824%0.244CC..Hα-helixtrans-67.2-43.4172.7-66.3177.3000110.8V131 K132 E133 E137 G138 I140 L187 V251 L258V131-L135 HydrophobicContact CG1-CD1 3.97Å; V131-L135 HydrophobicContact CG1-CG 4.2Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.33Å; V131-L135 PolarHBondContact O-N 3.27Å; K132-L135 WeakPolarHBondContact O-CB 3.47Å; K132-L135 PolarHBondContact O-N 2.85Å; E133-L135 VanDerWaalsContact C-N 3.31Å; E133-L135 PolarHBondContact O-N 3.47Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-G138 PolarHBondContact O-N 3.43Å; L135-I140 HydrophobicContact CD2-CD1 3.24Å; L135-I140 HydrophobicContact CD2-CG1 3.64Å; L135-L187 HydrophobicContact CD1-CB 4.25Å; L135-L187 VanDerWaalsContact CD1-O 3.27Å; L135-L187 WeakPolarHBondContact CD1-O 3.45Å; L135-V251 HydrophobicContact CD1-CG1 4.39Å; L135-V251 HydrophobicContact CD2-CG1 3.95Å; L135-L258 HydrophobicContact CD2-CD1 4.18Å; L135-L258 HydrophobicContact CG-CD1 4.46Å
136E96.3Very high96.9Very high144 Ų14446.8 Ų46.867%0.67324%0.244SC*.Hα-helixtrans-65.5-35175.4-68.6171.7-177.400112.1K132 E133 G138K132-E136 VanDerWaalsContact CE-OE1 3.3Å; K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 WeakPolarHBondContact O-CG 3.14Å; K132-E136 PolarHBondContact O-N 3.2Å; E133-E136 PolarHBondContact O-N 3.13Å; E136-G138 PolarHBondContact O-N 3.17Å
137E96.7Very high97Very high123 Ų12349.2 Ų49.258%0.57525%0.252SS*.THydrogen-bonded Turntrans-71.3-8.5172.2-71.1169-156.100113.2R130 E133 L135R130-E137 IonicContact CZ-OE1 3.11Å; R130-E137 IonicContact CZ-OE2 2.94Å; R130-E137 IonicContact NH1-OE1 3.18Å; R130-E137 PolarHBondContact NH1-OE1 2.82Å; R130-E137 IonicContact NH1-OE2 3.15Å; R130-E137 IonicContact NH2-OE1 2.74Å; R130-E137 PolarHBondContact NH2-OE1 3.29Å; R130-E137 IonicContact NH2-OE2 3.85Å; R130-E137 PolarHBondContact NH2-OE2 3.01Å; E133-E137 WeakPolarHBondContact O-CB 3.4Å; E133-E137 VanDerWaalsContact O-CG 3.26Å; E133-E137 WeakPolarHBondContact O-CG 3.2Å; E133-E137 PolarHBondContact O-N 3.41Å; L135-E137 VanDerWaalsContact C-N 3.33Å
138G96.3Very high97.1Very high33 Ų3349.2 Ų49.234%0.3425%0.252SS..THydrogen-bonded Turntrans76.123.1-18000000114.6L134 L135 E136 I140 G141L134-G138 PolarHBondContact O-N 3.02Å; L135-G138 PolarHBondContact O-N 3.43Å; E136-G138 PolarHBondContact O-N 3.17Å; G138-I140 PolarHBondContact O-N 3.12Å; G138-I140 VanDerWaalsContact O-N 3.16Å; G138-G141 PolarHBondContact O-N 3.24Å
139Y95.8Very high97.2Very high33 Ų3352.6 Ų52.613%0.12927%0.268CS..THydrogen-bonded Turntrans-54-38.1-175.4-177.6-84.9000113.5L134 L258 Q268 K269 L283L134-Y139 HydrophobicContact CB-CG 4.48Å; L134-Y139 HydrophobicContact CD2-CD2 3.78Å; L134-Y139 HydrophobicContact CD2-CG 4.13Å; L134-Y139 WeakPolarHBondContact O-CB 3.44Å; L134-Y139 PolarHBondContact O-N 3.39Å; Y139-L258 HydrophobicContact CD1-CD1 4.47Å; Y139-L258 HydrophobicContact CD1-CD2 3.71Å; Y139-L258 HydrophobicContact CD1-CG 4.05Å; Y139-L258 HydrophobicContact CE1-CD2 3.68Å; Y139-L258 HydrophobicContact CE1-CG 4.33Å; Y139-L258 HydrophobicContact CG-CD2 4.44Å; Y139-Q268 PolarHBondContact OH-N 3.17Å; Y139-K269 HydrophobicContact CE1-CG 4.18Å; Y139-K269 HydrophobicContact CE2-CG 4.38Å; Y139-L283 HydrophobicContact CE2-CD1 4.43Å
140I95.8Very high97.2Very high3 Ų351.1 Ų51.12%0.01526%0.259CS..THydrogen-bonded Turntrans-100.90.4179.468.3171.9000113.7L135 G138 L143 V251 G253 T254 I255 L258L135-I140 HydrophobicContact CD2-CD1 3.24Å; L135-I140 HydrophobicContact CD2-CG1 3.64Å; G138-I140 PolarHBondContact O-N 3.12Å; G138-I140 VanDerWaalsContact O-N 3.16Å; I140-L143 HydrophobicContact CD1-CD1 4.2Å; I140-V251 HydrophobicContact CD1-CB 4.5Å; I140-V251 HydrophobicContact CD1-CG1 3.61Å; I140-G253 CarbonylContact O-C 3.12Å; I140-G253 VanDerWaalsContact O-CA 3.31Å; I140-G253 WeakPolarHBondContact O-CA 3.49Å; I140-T254 PolarHBondContact O-N 3.46Å; I140-I255 WeakPolarHBondContact O-CG1 3.26Å; I140-I255 PolarHBondContact O-N 2.84Å; I140-L258 HydrophobicContact CG2-CD1 4.23Å; I140-L258 HydrophobicContact CG2-CG 3.95Å
141G95.9Very high97.1Very high33 Ų3350 Ų5034%0.3426%0.257SS..  trans66.6-141.7-169.800000111.8G138 I255G138-G141 PolarHBondContact O-N 3.24Å; G141-I255 VanDerWaalsContact N-CG1 3.34Å
142E96.3Very high96.8Very high147 Ų14751 Ų5169%0.68726%0.264SS*.SBendtrans-69.2135.5177.3-60.4-176.1168.900111.9G253 T254E142-G253 CarbonylContact O-C 3.55Å; E142-G253 WeakPolarHBondContact O-CA 3.36Å; E142-T254 HydrophobicContact CB-CG2 3.89Å; E142-T254 PolarHBondContact N-OG1 3.25Å; E142-T254 PolarHBondContact O-N 2.8Å
143L97.8Very high96.5Very high35 Ų3549.5 Ų49.518%0.18326%0.264CS..EExtended strand (participates in β ladder)trans-68.1130.3177.7178.369.4000111.1I140 T188 L227 A231 V251I140-L143 HydrophobicContact CD1-CD1 4.2Å; L143-T188 HydrophobicContact CD2-CG2 3.43Å; L143-T188 VanDerWaalsContact CD2-CG2 3.43Å; L143-L227 HydrophobicContact CD2-CD1 4.37Å; L143-A231 HydrophobicContact CD2-CB 3.73Å; L143-A231 HydrophobicContact CG-CB 3.77Å; L143-V251 HydrophobicContact CD1-CG1 3.3Å
144L97.7Very high96.1Very high80 Ų8049.2 Ų49.242%0.41927%0.271SS..EExtended strand (participates in β ladder)trans-117-54.5179.6-59.8177.7000112.2A231 C232 V252 T254L144-A231 WeakPolarHBondContact O-CA 3.09Å; L144-C232 PolarHBondContact O-N 3.21Å; L144-V252 PolarHBondContact N-O 3.37Å; L144-T254 HydrophobicContact CD1-CG2 4.02Å; L144-T254 HydrophobicContact CD2-CG2 4.08Å; L144-T254 HydrophobicContact CG-CG2 4.18Å
145V97.9Very high95.4Very high46 Ų4652 Ų5228%0.27929%0.285SS..EExtended strand (participates in β ladder)trans-139.2137-171.4-179.20000110.4E147 C232 V252V145-E147 HydrophobicContact CG1-CG 4.03Å; V145-C232 CarbonylContact C-O 3.22Å; V145-C232 VanDerWaalsContact CA-O 3.27Å; V145-C232 WeakPolarHBondContact CA-O 3.28Å; V145-V252 HydrophobicContact CB-CB 4.34Å; V145-V252 PolarHBondContact N-O 3.12Å; V145-V252 VanDerWaalsContact N-O 3.12Å; V145-V252 PolarHBondContact O-N 3Å
146C98.4Very high95Very high0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-114.9139.7164-59.40000110L184 C232 C233 T234 I250C146-L184 HydrophobicContact CB-CD2 3.75Å; C146-C232 PolarHBondContact N-O 3.14Å; C146-C233 HydrophobicContact CB-CB 4.31Å; C146-C233 CarbonylContact O-C 3.44Å; C146-C233 VanDerWaalsContact O-CA 3.25Å; C146-C233 WeakPolarHBondContact O-CA 3.25Å; C146-T234 PolarHBondContact O-N 2.73Å; C146-I250 CarbonylContact C-O 3.52Å; C146-I250 VanDerWaalsContact CA-O 3.29Å; C146-I250 WeakPolarHBondContact CA-O 3.37Å
147E98.4Very high94.4Very high81 Ų8146.8 Ų46.838%0.37927%0.27SS..EExtended strand (participates in β ladder)trans-127136.5172.6-62.6-177.9-173.700109.2V145 T234 V249 I250V145-E147 HydrophobicContact CG1-CG 4.03Å; E147-T234 CarbonylContact C-O 3.59Å; E147-T234 VanDerWaalsContact CA-O 3.3Å; E147-T234 WeakPolarHBondContact CA-O 3.49Å; E147-V249 CarbonylContact O-C 3.26Å; E147-V249 WeakPolarHBondContact O-CA 3.38Å; E147-I250 HydrophobicContact CB-CB 4.36Å; E147-I250 PolarHBondContact N-O 2.77Å; E147-I250 PolarHBondContact O-N 2.86Å
148A98.4Very high93.8Very high1 Ų148.7 Ų48.71%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-133130.3172.500000110.3I180 T234 V235 T236 E248 V249A148-I180 HydrophobicContact CB-CG2 3.59Å; A148-T234 PolarHBondContact N-O 2.78Å; A148-V235 HydrophobicContact CB-CG1 4.23Å; A148-V235 HydrophobicContact CB-CG2 4.18Å; A148-V235 CarbonylContact O-C 3.53Å; A148-V235 VanDerWaalsContact O-CA 3.28Å; A148-V235 WeakPolarHBondContact O-CA 3.24Å; A148-T236 PolarHBondContact O-N 3.07Å; A148-E248 CarbonylContact C-O 3.42Å; A148-E248 WeakPolarHBondContact CA-O 3.37Å; A148-V249 HydrophobicContact CB-CG2 4.15Å
149Q97.9Very high93.4Very high71 Ų7155.1 Ų55.133%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-125.9126.4176.2-62.6-173.6-5.100109T236 Q247 E248Q149-T236 WeakPolarHBondContact CA-O 3.39Å; Q149-Q247 WeakPolarHBondContact O-CA 3.21Å; Q149-E248 PolarHBondContact N-O 3.42Å; Q149-E248 PolarHBondContact O-N 3.13Å
150V97.2Very high92.9Very high0 Ų055.7 Ų55.70%030%0.297CS..EExtended strand (participates in β ladder)trans-126.7114.9173.6-171.10000109.2V176 I180 T236 L237 N238 F245 R246 Q247V150-V176 HydrophobicContact CB-CG1 4.06Å; V150-V176 HydrophobicContact CG1-CG1 3.88Å; V150-V176 HydrophobicContact CG2-CG1 3.92Å; V150-I180 HydrophobicContact CG2-CD1 3.93Å; V150-I180 HydrophobicContact CG2-CG1 4.1Å; V150-T236 PolarHBondContact N-O 3.23Å; V150-L237 HydrophobicContact CB-CD2 3.82Å; V150-L237 HydrophobicContact CG2-CD2 3.86Å; V150-L237 WeakPolarHBondContact O-CA 3.24Å; V150-N238 PolarHBondContact O-N 3.16Å; V150-F245 HydrophobicContact CG1-CD2 4.43Å; V150-F245 HydrophobicContact CG1-CE2 3.43Å; V150-F245 VanDerWaalsContact CG1-CE2 3.43Å; V150-F245 HydrophobicContact CG1-CZ 3.52Å; V150-R246 CarbonylContact C-O 3.48Å; V150-R246 WeakPolarHBondContact CA-O 3.28Å; V150-Q247 HydrophobicContact CG2-CB 4.48Å; V150-Q247 HydrophobicContact CG2-CG 4.17Å
151H95.3Very high92.6Very high46 Ų4658 Ų5821%0.21331%0.31CS..EExtended strand (participates in β ladder)trans-118.4135.4179.5-60.3157.8000109.9N238 V241 F245 R246H151-N238 WeakPolarHBondContact CA-O 3.2Å; H151-V241 HydrophobicContact CB-CB 4.2Å; H151-V241 HydrophobicContact CB-CG1 4.43Å; H151-V241 HydrophobicContact CB-CG2 4.08Å; H151-F245 WeakPolarHBondContact O-CA 3.45Å; H151-R246 PolarHBondContact N-O 3.13Å; H151-R246 PolarHBondContact O-N 2.71Å
152S92.1Very high92.2Very high22 Ų2259.2 Ų59.215%0.15431%0.305CS..  trans-158.2167.7177.41760000109.9N238 F239 V241S152-N238 PolarHBondContact N-O 2.88Å; S152-F239 CarbonylContact O-C 3.51Å; S152-F239 WeakPolarHBondContact O-CA 3.23Å; S152-V241 CarbonylContact C-O 3.58Å; S152-V241 PolarHBondContact O-N 3.34Å; S152-V241 VanDerWaalsContact O-N 3.16Å; S152-V241 VanDerWaalsContact O-O 3.05Å
153G90Very high91.9Very high23 Ų2353 Ų5324%0.23728%0.277CS..SBendtrans-65.2-179.3160.700000112L155 F239 V241G153-L155 PolarHBondContact O-N 3.15Å; G153-F239 CarbonylContact C-O 3.57Å; G153-F239 VanDerWaalsContact C-O 3.26Å; G153-V241 WeakPolarHBondContact CA-O 3.42Å; G153-V241 PolarHBondContact N-O 3.28Å
154S88.4Confident91.6Very high73 Ų7351.3 Ų51.351%0.5127%0.268SS..  trans-54133.2-175-175.30000113L156 F239S154-L156 PolarHBondContact O-N 3.26Å; S154-L156 WeakPolarHBondContact OG-CB 3.47Å; S154-L156 PolarHBondContact OG-N 3.32Å; S154-F239 WeakPolarHBondContact CA-O 3.4Å; S154-F239 PolarHBondContact N-O 3.36Å
155L84.5Confident91.2Very high65 Ų6547.5 Ų47.534%0.3425%0.248SC..  trans-76.7-4.8171.1-62.5178.9000112.9G153 F239G153-L155 PolarHBondContact O-N 3.15Å; L155-F239 HydrophobicContact CD1-CB 4.35Å; L155-F239 HydrophobicContact CD1-CD1 3.6Å; L155-F239 HydrophobicContact CD1-CD2 3.66Å; L155-F239 HydrophobicContact CD1-CE1 3.76Å; L155-F239 HydrophobicContact CD1-CE2 3.83Å; L155-F239 HydrophobicContact CD1-CG 3.56Å; L155-F239 HydrophobicContact CD1-CZ 3.88Å; L155-F239 HydrophobicContact CD2-CD1 3.52Å; L155-F239 HydrophobicContact CD2-CE1 3.76Å; L155-F239 HydrophobicContact CD2-CG 4.21Å; L155-F239 HydrophobicContact CG-CB 3.98Å; L155-F239 HydrophobicContact CG-CD1 3.39Å; L155-F239 HydrophobicContact CG-CD2 4.19Å; L155-F239 HydrophobicContact CG-CE1 3.93Å; L155-F239 HydrophobicContact CG-CG 3.55Å
156L87.3Confident90.8Very high32 Ų3247.3 Ų47.317%0.16825%0.246CC..  trans-86.8132.8-173.9-56.2173.5000110.5S154 C164 V203 T206 I215S154-L156 PolarHBondContact O-N 3.26Å; S154-L156 WeakPolarHBondContact OG-CB 3.47Å; S154-L156 PolarHBondContact OG-N 3.32Å; L156-C164 HydrophobicContact CD2-CB 4.42Å; L156-V203 HydrophobicContact CD1-CG1 4.23Å; L156-T206 HydrophobicContact CD1-CG2 4.09Å; L156-I215 HydrophobicContact CD1-CD1 3.54Å; L156-I215 HydrophobicContact CD1-CG1 4.35Å; L156-I215 HydrophobicContact CD1-CG2 4.33Å; L156-I215 HydrophobicContact CD2-CG2 4.22Å
157G84.3Confident90.3Very high36 Ų3651.3 Ų51.337%0.37127%0.266SS..  trans-76.8-177.6170.900000112.8K159G157-K159 PolarHBondContact O-N 3.18Å
158K84.8Confident89.8Confident162 Ų16247.5 Ų47.570%0.70425%0.249SC*.SBendtrans-71.6-14.2175.2-63.3-176.6179.4179.50113.8H208K158-H208 WeakPolarHBondContact O-CB 3.29Å
159K86.4Confident89.3Confident169 Ų16947.5 Ų47.574%0.73525%0.249SC*.SBendtrans-127.2147.9-178.5-65.7-176.3179.4-178.30109.5G157 N161G157-K159 PolarHBondContact O-N 3.18Å; K159-N161 PolarHBondContact O-N 3.33Å
160Y87.1Confident88.9Confident44 Ų4444.1 Ų44.117%0.17323%0.233CC..  trans-65.4122.4173.5-168.3-97.1000109.9C164 I209 R213 Q214 I215 Y394Y160-C164 HydrophobicContact CD2-CB 3.55Å; Y160-C164 HydrophobicContact CE2-CB 3.37Å; Y160-C164 HydrophobicContact CG-CB 4.27Å; Y160-I209 HydrophobicContact CD2-CG2 3.63Å; Y160-I209 HydrophobicContact CG-CG2 4.37Å; Y160-R213 HydrophobicContact CE1-CB 4.5Å; Y160-R213 HydrophobicContact CE2-CB 4.35Å; Y160-Q214 PolarHBondContact OH-O 3.38Å; Y160-I215 HydrophobicContact CE2-CG1 4.36Å; Y160-Y394 AromaticContact CD1-CD1 3.56Å; Y160-Y394 HydrophobicContact CD1-CD1 3.56Å; Y160-Y394 AromaticContact CD1-CE1 3.44Å; Y160-Y394 HydrophobicContact CD1-CE1 3.44Å; Y160-Y394 VanDerWaalsContact CD1-CE1 3.44Å; Y160-Y394 AromaticContact CE1-CD1 3.79Å; Y160-Y394 HydrophobicContact CE1-CD1 3.79Å; Y160-Y394 AromaticContact CE1-CE1 3.15Å; Y160-Y394 HydrophobicContact CE1-CE1 3.15Å; Y160-Y394 AromaticContact CE1-CZ 4Å
161N88.2Confident88.7Confident53 Ų5344.3 Ų44.328%0.28324%0.235SC..  trans-140.5-171.1-179.968.523.8000110K159 S163 C164 Y394K159-N161 PolarHBondContact O-N 3.33Å; N161-S163 PolarHBondContact O-N 3.19Å; N161-S163 WeakPolarHBondContact OD1-CB 3.29Å; N161-S163 PolarHBondContact OD1-N 3.01Å; N161-S163 PolarHBondContact OD1-OG 2.83Å; N161-C164 WeakPolarHBondContact O-CB 3.38Å; N161-C164 PolarHBondContact O-N 3.19Å; N161-C164 VanDerWaalsContact O-N 3.14Å; N161-Y394 VanDerWaalsContact C-CE1 3.42Å; N161-Y394 VanDerWaalsContact CA-CD1 3.45Å; N161-Y394 VanDerWaalsContact O-CE1 3.23Å; N161-Y394 WeakPolarHBondContact O-CE1 3.39Å
162W88.5Confident88.7Confident58 Ų5842.1 Ų42.122%0.2223%0.225CC..G310 helixtrans-56.6-29.8-179.967.1-93.7000113.8P72 P73 C164 D165 M168 G169P72-W162 HydrophobicContact CB-CB 4.28Å; P72-W162 HydrophobicContact CB-CD2 4.48Å; P72-W162 HydrophobicContact CB-CG 3.84Å; P72-W162 HydrophobicContact CG-CG 4.38Å; P73-W162 VanDerWaalsContact CD-CD2 3.46Å; P73-W162 VanDerWaalsContact CD-CE3 3.4Å; P73-W162 HydrophobicContact CG-CD2 4.23Å; P73-W162 HydrophobicContact CG-CE3 3.64Å; P73-W162 HydrophobicContact CG-CH2 4.16Å; P73-W162 HydrophobicContact CG-CZ3 3.61Å; W162-C164 PolarHBondContact O-N 3.42Å; W162-D165 PolarHBondContact O-N 3.32Å; W162-M168 HydrophobicContact CB-CB 3.99Å; W162-G169 WeakPolarHBondContact CZ3-O 2.96Å
163S89.9Confident89Confident15 Ų1541 Ų4111%0.10522%0.217CC..G310 helixtrans-70.6-17.4-177.476.90000112.8N161 D165 G170 G171 S217N161-S163 PolarHBondContact O-N 3.19Å; N161-S163 WeakPolarHBondContact OD1-CB 3.29Å; N161-S163 PolarHBondContact OD1-N 3.01Å; N161-S163 PolarHBondContact OD1-OG 2.83Å; S163-D165 VanDerWaalsContact C-N 3.35Å; S163-G170 WeakPolarHBondContact O-CA 3.49Å; S163-G171 PolarHBondContact O-N 3.06Å; S163-S217 WeakPolarHBondContact O-CB 3.4Å; S163-S217 PolarHBondContact O-OG 3.37Å; S163-S217 VanDerWaalsContact O-OG 3.11Å
164C90.5Very high89.2Confident0 Ų040.1 Ų40.10%021%0.207CC..G310 helixtrans-82.7-9.3177-54.90000113.5L156 Y160 N161 W162 I215 T216 S217L156-C164 HydrophobicContact CD2-CB 4.42Å; Y160-C164 HydrophobicContact CD2-CB 3.55Å; Y160-C164 HydrophobicContact CE2-CB 3.37Å; Y160-C164 HydrophobicContact CG-CB 4.27Å; N161-C164 WeakPolarHBondContact O-CB 3.38Å; N161-C164 PolarHBondContact O-N 3.19Å; N161-C164 VanDerWaalsContact O-N 3.14Å; W162-C164 PolarHBondContact O-N 3.42Å; C164-I215 HydrophobicContact CB-CG1 4.14Å; C164-I215 HydrophobicContact CB-CG2 4.47Å; C164-T216 PolarHBondContact O-N 2.91Å; C164-S217 WeakPolarHBondContact CA-OG 3.5Å; C164-S217 PolarHBondContact O-N 3.48Å; C164-S217 PolarHBondContact O-OG 2.95Å
165D90.6Very high89.3Confident1 Ų137.3 Ų37.31%0.00519%0.188CC..  trans-120.7116.1-174.4-168.7-27.9000111.3W162 S163 L167 M168 G170 T216 R390 Y394W162-D165 PolarHBondContact O-N 3.32Å; S163-D165 VanDerWaalsContact C-N 3.35Å; D165-L167 PolarHBondContact O-N 3.38Å; D165-L167 WeakPolarHBondContact OD1-CB 3.42Å; D165-L167 PolarHBondContact OD1-N 2.78Å; D165-M168 HydrophobicContact CB-CB 4.21Å; D165-M168 HydrophobicContact CB-CG 3.85Å; D165-M168 PolarHBondContact O-N 2.86Å; D165-G170 WeakPolarHBondContact O-CA 3.43Å; D165-G170 PolarHBondContact O-N 2.76Å; D165-T216 WeakPolarHBondContact CA-OG1 3.3Å; D165-R390 IonicContact OD1-NH1 2.77Å; D165-R390 IonicContact OD2-CZ 3.79Å; D165-R390 IonicContact OD2-NH1 2.62Å; D165-R390 PolarHBondContact OD2-NH1 3.06Å; D165-Y394 VanDerWaalsContact CB-OH 3.26Å; D165-Y394 WeakPolarHBondContact CB-OH 3.39Å; D165-Y394 PolarHBondContact OD2-OH 3.49Å
166D89.4Confident89.8Confident41 Ų4134.9 Ų34.922%0.21918%0.175CC..G310 helixtrans-53.5-37.8178.1-179.363.6000113.4M168 G169 T216 K356D166-M168 VanDerWaalsContact C-N 3.25Å; D166-M168 PolarHBondContact O-N 2.82Å; D166-G169 PolarHBondContact O-N 3.47Å; D166-T216 PolarHBondContact N-OG1 2.77Å; D166-K356 PolarHBondContact O-NZ 2.94Å; D166-K356 WeakPolarHBondContact OD1-CE 3.38Å; D166-K356 IonicContact OD1-NZ 3.32Å; D166-K356 PolarHBondContact OD1-NZ 3.26Å; D166-K356 IonicContact OD2-NZ 3.32Å; D166-K356 PolarHBondContact OD2-NZ 3.34Å; D166-K356 VanDerWaalsContact OD2-NZ 3.09Å
167L87.1Confident90.2Very high84 Ų8433.3 Ų33.344%0.4417%0.167SC..G310 helixtrans-74.2-18.6-178.3-63.6178.4000112.7D165 G169D165-L167 PolarHBondContact O-N 3.38Å; D165-L167 WeakPolarHBondContact OD1-CB 3.42Å; D165-L167 PolarHBondContact OD1-N 2.78Å; L167-G169 VanDerWaalsContact C-N 3.3Å
168M87Confident90.8Very high1 Ų132.5 Ų32.51%0.00516%0.156CC..G310 helixtrans-90.55.8176.5-59.5-56.796.100112.5P74 W162 D165 D166 R387 Y394P74-M168 WeakPolarHBondContact CD-O 3.31Å; P74-M168 HydrophobicContact CG-CB 4.01Å; P74-M168 HydrophobicContact CG-SD 3.93Å; W162-M168 HydrophobicContact CB-CB 3.99Å; D165-M168 HydrophobicContact CB-CB 4.21Å; D165-M168 HydrophobicContact CB-CG 3.85Å; D165-M168 PolarHBondContact O-N 2.86Å; D166-M168 VanDerWaalsContact C-N 3.25Å; D166-M168 PolarHBondContact O-N 2.82Å; M168-R387 HydrophobicContact CE-CB 3.42Å; M168-R387 VanDerWaalsContact CE-CB 3.42Å; M168-R387 HydrophobicContact CE-CG 3.33Å; M168-R387 HydrophobicContact SD-CB 3.76Å; M168-R387 HydrophobicContact SD-CG 4.29Å; M168-Y394 HydrophobicContact CG-CE2 4.13Å; M168-Y394 WeakPolarHBondContact CG-OH 3.48Å; M168-Y394 HydrophobicContact SD-CE2 4.43Å
169G88.2Confident91.3Very high1 Ų125.3 Ų25.31%0.0112%0.124CC..THydrogen-bonded Turntrans80.525.4-171.800000113.1W162 D166 L167 H174W162-G169 WeakPolarHBondContact CZ3-O 2.96Å; D166-G169 PolarHBondContact O-N 3.47Å; L167-G169 VanDerWaalsContact C-N 3.3Å; G169-H174 PolarHBondContact O-ND1 3.18Å; G169-H174 VanDerWaalsContact O-ND1 3.13Å
170G90.4Very high91.9Very high0 Ų017.3 Ų17.30%09%0.089CC..  trans-77.2171.2171.100000113S163 D165 H174S163-G170 WeakPolarHBondContact O-CA 3.49Å; D165-G170 WeakPolarHBondContact O-CA 3.43Å; D165-G170 PolarHBondContact O-N 2.76Å; G170-H174 WeakPolarHBondContact O-CB 3.49Å
171G93.5Very high92.4Very high4 Ų415.2 Ų15.24%0.0418%0.081CC..SBendtrans94.9166174.300000115.4S163 S175 D218S163-G171 PolarHBondContact O-N 3.06Å; G171-S175 WeakPolarHBondContact O-CB 3.23Å; G171-S175 PolarHBondContact O-N 2.96Å; G171-S175 PolarHBondContact O-OG 3.4Å; G171-D218 VanDerWaalsContact CA-O 3.29Å; G171-D218 WeakPolarHBondContact CA-O 3.29Å; G171-D218 WeakPolarHBondContact CA-OD1 3.48Å
172G95.1Very high92.9Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-62.4-47.2-177.300000113.4H174 V176 G177 D218G172-H174 VanDerWaalsContact C-N 3.35Å; G172-H174 PolarHBondContact O-N 3.44Å; G172-V176 PolarHBondContact O-N 3.44Å; G172-G177 PolarHBondContact O-N 3.43Å; G172-D218 WeakPolarHBondContact CA-OD2 3.18Å; G172-D218 PolarHBondContact N-O 3.17Å; G172-D218 PolarHBondContact N-OD1 3.37Å; G172-D218 PolarHBondContact N-OD2 3Å
173L96.8Very high93.3Very high0 Ų010 Ų100%06%0.058CC..Iπ-helixtrans-59.5-45.1178.1178.163.4000111.8G177 S178 L199 D218 C221 F223 V352 I355 K356L173-G177 CarbonylContact O-C 3.57Å; L173-G177 WeakPolarHBondContact O-CA 3.3Å; L173-G177 PolarHBondContact O-N 3.2Å; L173-G177 VanDerWaalsContact O-N 3.11Å; L173-S178 PolarHBondContact O-N 3.04Å; L173-L199 HydrophobicContact CB-CD2 4.07Å; L173-L199 HydrophobicContact CD2-CD1 4.15Å; L173-L199 HydrophobicContact CD2-CD2 3.69Å; L173-L199 HydrophobicContact CD2-CG 4.35Å; L173-D218 PolarHBondContact N-OD2 2.95Å; L173-C221 HydrophobicContact CB-CB 4.41Å; L173-F223 HydrophobicContact CD1-CD1 4.05Å; L173-F223 HydrophobicContact CD1-CE1 3.79Å; L173-F223 HydrophobicContact CD1-CZ 4.47Å; L173-V352 HydrophobicContact CD1-CG2 4.35Å; L173-V352 HydrophobicContact CD2-CG1 3.93Å; L173-V352 HydrophobicContact CG-CG1 3.99Å; L173-V352 HydrophobicContact CG-CG2 4.22Å; L173-I355 HydrophobicContact CD1-CD1 3.94Å; L173-I355 HydrophobicContact CD1-CG2 4.31Å; L173-I355 HydrophobicContact CD2-CB 4.05Å; L173-I355 HydrophobicContact CD2-CG2 3.78Å; L173-K356 HydrophobicContact CD2-CG 4.02Å
174H94.6Very high93.7Very high3 Ų39.4 Ų9.41%0.0145%0.053CC..Iπ-helixtrans-74.4-46.3-178.4-163.3-71.4000111.6T95 A96 G169 G170 G172 S178 L349T95-H174 PolarHBondContact O-CE1 2.81Å; T95-H174 PolarHBondContact O-NE2 3.22Å; A96-H174 PolarHBondContact O-NE2 3.17Å; G169-H174 PolarHBondContact O-ND1 3.18Å; G169-H174 VanDerWaalsContact O-ND1 3.13Å; G170-H174 WeakPolarHBondContact O-CB 3.49Å; G172-H174 VanDerWaalsContact C-N 3.35Å; G172-H174 PolarHBondContact O-N 3.44Å; H174-S178 VanDerWaalsContact O-CB 3.29Å; H174-S178 WeakPolarHBondContact O-CB 3.49Å; H174-S178 PolarHBondContact O-OG 3.46Å; H174-L349 WeakPolarHBondContact NE2-CD2 3.19Å
175S90.9Very high94.1Very high15 Ų1510 Ų1011%0.1056%0.057CC..Iπ-helixtrans-75.3-40.2-172.4-590000113.9G171 Y179G171-S175 WeakPolarHBondContact O-CB 3.23Å; G171-S175 PolarHBondContact O-N 2.96Å; G171-S175 PolarHBondContact O-OG 3.4Å; S175-Y179 WeakPolarHBondContact O-CD2 3.43Å; S175-Y179 WeakPolarHBondContact O-CE2 3.44Å
176V94.8Very high94.4Very high13 Ų1310.7 Ų10.78%0.0796%0.06CC..Iπ-helixtrans-113-41.4-176.5176.90000110.5V150 G172 S178 Y179 I180 L237 F239V150-V176 HydrophobicContact CB-CG1 4.06Å; V150-V176 HydrophobicContact CG1-CG1 3.88Å; V150-V176 HydrophobicContact CG2-CG1 3.92Å; G172-V176 PolarHBondContact O-N 3.44Å; V176-S178 VanDerWaalsContact C-N 3.26Å; V176-S178 PolarHBondContact O-N 3.12Å; V176-Y179 PolarHBondContact O-N 3.48Å; V176-Y179 VanDerWaalsContact O-N 3.12Å; V176-I180 HydrophobicContact CG1-CG1 4.23Å; V176-I180 WeakPolarHBondContact O-CG1 3.2Å; V176-I180 PolarHBondContact O-N 3.26Å; V176-I180 VanDerWaalsContact O-N 3.08Å; V176-L237 HydrophobicContact CG1-CD2 3.99Å; V176-F239 HydrophobicContact CB-CZ 3.85Å; V176-F239 HydrophobicContact CG1-CZ 4.27Å; V176-F239 HydrophobicContact CG2-CE1 3.91Å; V176-F239 HydrophobicContact CG2-CZ 3.63Å
177G96.6Very high94.8Very high0 Ų09.2 Ų9.20%05%0.052CC..Iπ-helixtrans-58.8-36.5-179.700000113.1G172 L173 Y179 I180 I181G172-G177 PolarHBondContact O-N 3.43Å; L173-G177 CarbonylContact O-C 3.57Å; L173-G177 WeakPolarHBondContact O-CA 3.3Å; L173-G177 PolarHBondContact O-N 3.2Å; L173-G177 VanDerWaalsContact O-N 3.11Å; G177-Y179 PolarHBondContact O-N 2.99Å; G177-I180 PolarHBondContact O-N 3.02Å; G177-I181 WeakPolarHBondContact O-CB 3.26Å; G177-I181 WeakPolarHBondContact O-CD1 3.48Å; G177-I181 WeakPolarHBondContact O-CG1 3.42Å; G177-I181 PolarHBondContact O-N 3.26Å
178S96.1Very high95.3Very high19 Ų196.2 Ų6.213%0.1334%0.037CC..Hα-helixtrans-61.3-42.717563.30000113L173 H174 V176 I181 D182L173-S178 PolarHBondContact O-N 3.04Å; H174-S178 VanDerWaalsContact O-CB 3.29Å; H174-S178 WeakPolarHBondContact O-CB 3.49Å; H174-S178 PolarHBondContact O-OG 3.46Å; V176-S178 VanDerWaalsContact C-N 3.26Å; V176-S178 PolarHBondContact O-N 3.12Å; S178-I181 PolarHBondContact O-N 3.17Å; S178-D182 VanDerWaalsContact O-CB 3.28Å; S178-D182 WeakPolarHBondContact O-CB 3.31Å; S178-D182 PolarHBondContact O-N 2.88Å
179Y96Very high95.7Very high11 Ų119.3 Ų9.34%0.0437%0.069CC..Hα-helixtrans-64.4-38.6173.3-70.2-66.9000112.1D93 R94 G119 N120 S175 V176 G177 L183 Y307D93-Y179 PolarHBondContact OD1-OH 3.29Å; R94-Y179 PolarHBondContact NH2-OH 3.36Å; G119-Y179 WeakPolarHBondContact O-CE1 3.3Å; N120-Y179 HydrophobicContact CB-CD1 4.16Å; N120-Y179 HydrophobicContact CB-CE1 4.33Å; N120-Y179 WeakPolarHBondContact OD1-CE1 3.4Å; S175-Y179 WeakPolarHBondContact O-CD2 3.43Å; S175-Y179 WeakPolarHBondContact O-CE2 3.44Å; V176-Y179 PolarHBondContact O-N 3.48Å; V176-Y179 VanDerWaalsContact O-N 3.12Å; G177-Y179 PolarHBondContact O-N 2.99Å; Y179-L183 WeakPolarHBondContact O-CB 3.34Å; Y179-L183 PolarHBondContact O-N 2.94Å; Y179-Y307 AromaticContact CD2-CE1 3.86Å; Y179-Y307 HydrophobicContact CD2-CE1 3.86Å; Y179-Y307 HydrophobicContact CE2-CE1 4.22Å; Y179-Y307 HydrophobicContact CG-CE1 4.17Å
180I97.9Very high96.1Very high0 Ų011.1 Ų11.10%08%0.077CC..Hα-helixtrans-69.3-42.6178.7-61.7-58.2000111.2L122 A148 V150 V176 G177 D182 L183 L184 V235 L237L122-I180 HydrophobicContact CD1-CD1 4.33Å; A148-I180 HydrophobicContact CB-CG2 3.59Å; V150-I180 HydrophobicContact CG2-CD1 3.93Å; V150-I180 HydrophobicContact CG2-CG1 4.1Å; V176-I180 HydrophobicContact CG1-CG1 4.23Å; V176-I180 WeakPolarHBondContact O-CG1 3.2Å; V176-I180 PolarHBondContact O-N 3.26Å; V176-I180 VanDerWaalsContact O-N 3.08Å; G177-I180 PolarHBondContact O-N 3.02Å; I180-D182 VanDerWaalsContact C-N 3.33Å; I180-D182 PolarHBondContact O-N 3.13Å; I180-L183 PolarHBondContact O-N 2.93Å; I180-L184 HydrophobicContact CG2-CD1 3.99Å; I180-L184 HydrophobicContact CG2-CG 4.3Å; I180-L184 WeakPolarHBondContact O-CB 3.48Å; I180-L184 VanDerWaalsContact O-CG 3.26Å; I180-L184 WeakPolarHBondContact O-CG 3.44Å; I180-L184 PolarHBondContact O-N 3.1Å; I180-V235 HydrophobicContact CG2-CG1 3.87Å; I180-V235 HydrophobicContact CG2-CG2 3.99Å; I180-L237 HydrophobicContact CG1-CD2 4.45Å
181I98.3Very high96.4Very high0 Ų014.6 Ų14.60%09%0.09CC..Hα-helixtrans-60.5-46.3175.3-69.3158.8000110.2G177 S178 T185 F223 M225 Y347 A348 V351 V352 I355G177-I181 WeakPolarHBondContact O-CB 3.26Å; G177-I181 WeakPolarHBondContact O-CD1 3.48Å; G177-I181 WeakPolarHBondContact O-CG1 3.42Å; G177-I181 PolarHBondContact O-N 3.26Å; S178-I181 PolarHBondContact O-N 3.17Å; I181-T185 WeakPolarHBondContact O-CB 3.31Å; I181-T185 PolarHBondContact O-N 3.2Å; I181-T185 PolarHBondContact O-OG1 3.25Å; I181-F223 HydrophobicContact CD1-CE2 4.38Å; I181-F223 HydrophobicContact CD1-CZ 4.17Å; I181-F223 HydrophobicContact CG1-CE2 4Å; I181-F223 HydrophobicContact CG1-CZ 3.92Å; I181-M225 HydrophobicContact CG1-SD 4.21Å; I181-Y347 HydrophobicContact CG2-CE1 4.16Å; I181-A348 HydrophobicContact CG2-CB 4.18Å; I181-V351 HydrophobicContact CD1-CB 4.2Å; I181-V351 HydrophobicContact CD1-CG1 3.75Å; I181-V351 HydrophobicContact CG1-CG1 4.16Å; I181-V351 HydrophobicContact CG2-CB 3.99Å; I181-V351 HydrophobicContact CG2-CG1 4Å; I181-V351 HydrophobicContact CG2-CG2 4.11Å; I181-V352 HydrophobicContact CD1-CG2 3.79Å; I181-I355 HydrophobicContact CD1-CD1 4.02Å
182D98.1Very high96.7Very high3 Ų314.7 Ų14.72%0.0169%0.091CC..Hα-helixtrans-60.5-47.7176.3178.580000112.3N120 R123 S178 I180 T185 F186N120-D182 WeakPolarHBondContact CB-OD2 3.41Å; N120-D182 WeakPolarHBondContact ND2-CB 3.27Å; N120-D182 PolarHBondContact ND2-OD1 2.88Å; N120-D182 VanDerWaalsContact ND2-OD1 3.08Å; N120-D182 PolarHBondContact ND2-OD2 3.35Å; R123-D182 IonicContact CZ-OD1 3.87Å; R123-D182 IonicContact CZ-OD2 3.32Å; R123-D182 IonicContact NE-OD1 2.61Å; R123-D182 PolarHBondContact NE-OD1 3.36Å; R123-D182 IonicContact NE-OD2 3.47Å; R123-D182 PolarHBondContact NE-OD2 2.83Å; R123-D182 IonicContact NH2-OD1 3.9Å; R123-D182 PolarHBondContact NH2-OD1 3Å; R123-D182 IonicContact NH2-OD2 2.79Å; S178-D182 VanDerWaalsContact O-CB 3.28Å; S178-D182 WeakPolarHBondContact O-CB 3.31Å; S178-D182 PolarHBondContact O-N 2.88Å; I180-D182 VanDerWaalsContact C-N 3.33Å; I180-D182 PolarHBondContact O-N 3.13Å; D182-T185 PolarHBondContact O-N 2.99Å; D182-F186 WeakPolarHBondContact O-CB 3.4Å; D182-F186 PolarHBondContact O-N 2.84Å
183L98.3Very high96.8Very high0 Ų017.9 Ų17.90%011%0.11CC..Hα-helixtrans-60.8-48.6178.9175.565.8000111.6L122 F128 Y179 I180 T185 F186 L187 V249L122-L183 HydrophobicContact CB-CD1 4.3Å; L122-L183 HydrophobicContact CB-CD2 4.44Å; L122-L183 HydrophobicContact CD1-CD2 4.1Å; F128-L183 HydrophobicContact CB-CD1 3.97Å; F128-L183 HydrophobicContact CD1-CD1 3.99Å; F128-L183 HydrophobicContact CD1-CD2 4.13Å; F128-L183 HydrophobicContact CD1-CG 4.5Å; F128-L183 HydrophobicContact CD2-CD1 3.81Å; F128-L183 HydrophobicContact CD2-CD2 3.93Å; F128-L183 HydrophobicContact CE1-CD1 4.48Å; F128-L183 HydrophobicContact CE1-CD2 3.77Å; F128-L183 HydrophobicContact CE2-CD1 4.33Å; F128-L183 HydrophobicContact CE2-CD2 3.57Å; F128-L183 HydrophobicContact CG-CD1 3.65Å; F128-L183 HydrophobicContact CG-CD2 4.23Å; F128-L183 HydrophobicContact CZ-CD2 3.5Å; F128-L183 VanDerWaalsContact CZ-CD2 3.5Å; Y179-L183 WeakPolarHBondContact O-CB 3.34Å; Y179-L183 PolarHBondContact O-N 2.94Å; I180-L183 PolarHBondContact O-N 2.93Å; L183-T185 VanDerWaalsContact C-N 3.27Å; L183-T185 PolarHBondContact O-N 3.5Å; L183-F186 HydrophobicContact CD1-CD1 4.5Å; L183-F186 WeakPolarHBondContact O-CB 3.47Å; L183-F186 PolarHBondContact O-N 2.9Å; L183-F186 VanDerWaalsContact O-N 3.16Å; L183-L187 HydrophobicContact CD1-CD1 3.96Å; L183-L187 HydrophobicContact CD1-CD2 4.4Å; L183-L187 HydrophobicContact CD1-CG 3.95Å; L183-L187 HydrophobicContact CG-CD1 3.96Å; L183-L187 HydrophobicContact CG-CG 4.31Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.41Å; L183-L187 PolarHBondContact O-N 3.2Å; L183-V249 HydrophobicContact CD2-CG2 4.23Å
184L98.2Very high96.9Very high1 Ų121.7 Ų21.71%0.00513%0.127CC..Hα-helixtrans-61-39.9178.7-70.8175.1000111.2C146 I180 T188 M225 C233 V235 V249C146-L184 HydrophobicContact CB-CD2 3.75Å; I180-L184 HydrophobicContact CG2-CD1 3.99Å; I180-L184 HydrophobicContact CG2-CG 4.3Å; I180-L184 WeakPolarHBondContact O-CB 3.48Å; I180-L184 VanDerWaalsContact O-CG 3.26Å; I180-L184 WeakPolarHBondContact O-CG 3.44Å; I180-L184 PolarHBondContact O-N 3.1Å; L184-T188 WeakPolarHBondContact O-CB 3.46Å; L184-T188 VanDerWaalsContact O-CG2 3.23Å; L184-T188 WeakPolarHBondContact O-CG2 3.42Å; L184-T188 PolarHBondContact O-N 3.19Å; L184-T188 PolarHBondContact O-OG1 3.1Å; L184-M225 HydrophobicContact CD1-CE 3.75Å; L184-C233 HydrophobicContact CD1-CB 4.13Å; L184-V235 HydrophobicContact CD1-CG2 3.92Å; L184-V249 HydrophobicContact CD2-CG1 4.36Å
185T97.6Very high97Very high13 Ų1321.6 Ų21.68%0.0813%0.126CC..Hα-helixtrans-65.4-42175.7-55.10000111.2I181 D182 L183 G189 R191 Y347I181-T185 WeakPolarHBondContact O-CB 3.31Å; I181-T185 PolarHBondContact O-N 3.2Å; I181-T185 PolarHBondContact O-OG1 3.25Å; D182-T185 PolarHBondContact O-N 2.99Å; L183-T185 VanDerWaalsContact C-N 3.27Å; L183-T185 PolarHBondContact O-N 3.5Å; T185-G189 WeakPolarHBondContact O-CA 3.39Å; T185-G189 PolarHBondContact O-N 3.34Å; T185-R191 HydrophobicContact CG2-CG 4.16Å; T185-Y347 HydrophobicContact CG2-CD1 4.38Å; T185-Y347 HydrophobicContact CG2-CE1 3.83Å; T185-Y347 VanDerWaalsContact OG1-CE1 3.24Å; T185-Y347 WeakPolarHBondContact OG1-CE1 3.29Å
186F97.8Very high97.4Very high16 Ų1623.7 Ų23.77%0.0713%0.134CC..Hα-helixtrans-64.6-43.2177.7168.5-104.8000113.5R123 K132 D182 L183 M338R123-F186 HydrophobicContact CB-CD1 4.32Å; R123-F186 HydrophobicContact CB-CE1 4.27Å; R123-F186 HydrophobicContact CB-CZ 4.43Å; R123-F186 HydrophobicContact CG-CB 4.19Å; R123-F186 HydrophobicContact CG-CD1 3.97Å; R123-F186 HydrophobicContact CG-CD2 4.25Å; R123-F186 HydrophobicContact CG-CE1 4.42Å; R123-F186 HydrophobicContact CG-CG 3.87Å; K132-F186 HydrophobicContact CB-CE1 4.4Å; K132-F186 HydrophobicContact CD-CD1 4.33Å; K132-F186 HydrophobicContact CD-CD2 4.31Å; K132-F186 HydrophobicContact CD-CE1 3.7Å; K132-F186 HydrophobicContact CD-CE2 3.68Å; K132-F186 HydrophobicContact CD-CZ 3.33Å; K132-F186 VanDerWaalsContact NZ-CE2 3.27Å; K132-F186 PolarHBondContact NZ-O 3.16Å; D182-F186 WeakPolarHBondContact O-CB 3.4Å; D182-F186 PolarHBondContact O-N 2.84Å; L183-F186 HydrophobicContact CD1-CD1 4.5Å; L183-F186 WeakPolarHBondContact O-CB 3.47Å; L183-F186 PolarHBondContact O-N 2.9Å; L183-F186 VanDerWaalsContact O-N 3.16Å; F186-M338 HydrophobicContact CE2-CB 3.76Å; F186-M338 HydrophobicContact CZ-CB 3.83Å
187L97.8Very high97.6Very high9 Ų923.2 Ų23.25%0.04713%0.132CC..Hα-helixtrans-70.8-45.2-179-69.4178.3000111.6F128 V131 K132 L135 L183F128-L187 HydrophobicContact CB-CD2 4.25Å; F128-L187 HydrophobicContact CD1-CD1 3.89Å; F128-L187 HydrophobicContact CD1-CD2 4.41Å; F128-L187 HydrophobicContact CE1-CD1 4.33Å; F128-L187 VanDerWaalsContact O-CD2 3.31Å; F128-L187 WeakPolarHBondContact O-CD2 3.42Å; V131-L187 HydrophobicContact CB-CD2 4.06Å; V131-L187 HydrophobicContact CG1-CD1 4.2Å; V131-L187 HydrophobicContact CG1-CD2 3.88Å; K132-L187 HydrophobicContact CB-CD2 4.12Å; L135-L187 HydrophobicContact CD1-CB 4.25Å; L135-L187 VanDerWaalsContact CD1-O 3.27Å; L135-L187 WeakPolarHBondContact CD1-O 3.45Å; L183-L187 HydrophobicContact CD1-CD1 3.96Å; L183-L187 HydrophobicContact CD1-CD2 4.4Å; L183-L187 HydrophobicContact CD1-CG 3.95Å; L183-L187 HydrophobicContact CG-CD1 3.96Å; L183-L187 HydrophobicContact CG-CG 4.31Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.41Å; L183-L187 PolarHBondContact O-N 3.2Å
188T96.6Very high97.6Very high22 Ų2227.7 Ų27.714%0.13515%0.151CC..Hα-helixtrans-84.9-21-174.563.80000113.1L143 L184 Q190 L227L143-T188 HydrophobicContact CD2-CG2 3.43Å; L143-T188 VanDerWaalsContact CD2-CG2 3.43Å; L184-T188 WeakPolarHBondContact O-CB 3.46Å; L184-T188 VanDerWaalsContact O-CG2 3.23Å; L184-T188 WeakPolarHBondContact O-CG2 3.42Å; L184-T188 PolarHBondContact O-N 3.19Å; L184-T188 PolarHBondContact O-OG1 3.1Å; T188-Q190 PolarHBondContact O-N 3.35Å; T188-Q190 PolarHBondContact OG1-N 2.97Å; T188-L227 HydrophobicContact CG2-CD1 4.03Å
189G96.3Very high97.7Very high65 Ų6527.7 Ų27.767%0.6715%0.15SC*.  trans67.79.9-171.200000113.8T185T185-G189 WeakPolarHBondContact O-CA 3.39Å; T185-G189 PolarHBondContact O-N 3.34Å
190Q96.7Very high97.8Very high39 Ų3931.7 Ų31.718%0.18217%0.168CC..  trans-116.6140.6-174.9-63175.44500111T188 L227T188-Q190 PolarHBondContact O-N 3.35Å; T188-Q190 PolarHBondContact OG1-N 2.97Å; Q190-L227 HydrophobicContact CB-CB 3.98Å; Q190-L227 HydrophobicContact CB-CD1 4.06Å
191R97.4Very high97.7Very high74 Ų7433 Ų3328%0.27918%0.175SC..  trans-89.6156.6171.1-68.5-174.8175.2-175.82.7110.6T185 L227 E228 E343 Y347T185-R191 HydrophobicContact CG2-CG 4.16Å; R191-L227 CarbonylContact O-C 3.09Å; R191-L227 WeakPolarHBondContact O-CA 3.22Å; R191-E228 PolarHBondContact N-OE2 3.16Å; R191-E228 WeakPolarHBondContact O-CG 3.46Å; R191-E228 PolarHBondContact O-N 2.88Å; R191-E343 IonicContact CZ-OE1 3.83Å; R191-E343 IonicContact NH1-OE1 3.96Å; R191-E343 IonicContact NH2-OE1 2.81Å; R191-E343 PolarHBondContact NH2-OE1 3.47Å; R191-Y347 WeakPolarHBondContact CA-OH 3.4Å; R191-Y347 HydrophobicContact CB-CE2 3.72Å; R191-Y347 HydrophobicContact CG-CD2 4.21Å; R191-Y347 HydrophobicContact CG-CE1 4.42Å; R191-Y347 HydrophobicContact CG-CE2 3.78Å
192A97.9Very high97.5Very high6 Ų638.9 Ų38.95%0.0520%0.202CC..EExtended strand (participates in β ladder)trans-80.3135.3176.100000110.2M225 V226 L227 Y347 I367A192-M225 HydrophobicContact CB-CB 3.95Å; A192-M225 HydrophobicContact CB-CG 4.47Å; A192-M225 HydrophobicContact CB-SD 4.08Å; A192-V226 WeakPolarHBondContact CA-O 3.48Å; A192-L227 HydrophobicContact CB-CD2 4.02Å; A192-Y347 PolarHBondContact N-OH 3.26Å; A192-I367 VanDerWaalsContact C-CD1 3.45Å; A192-I367 HydrophobicContact CB-CD1 3.22Å; A192-I367 WeakPolarHBondContact O-CD1 3.45Å
193V98.1Very high97.2Very high67 Ų6740.9 Ų40.941%0.40621%0.214SC..EExtended strand (participates in β ladder)trans-90.1-44.5178.3178.10000110.5V226 E228 N366 I367V193-V226 PolarHBondContact N-O 3.07Å; V193-E228 HydrophobicContact CG2-CB 4.27Å; V193-E228 HydrophobicContact CG2-CG 3.66Å; V193-N366 WeakPolarHBondContact O-CA 3.32Å; V193-I367 PolarHBondContact O-N 3.27Å
194K98.1Very high96.9Very high80 Ų8046.8 Ų46.835%0.34824%0.239SC..EExtended strand (participates in β ladder)trans-145.7153.6179.963.1176.6-176.9-179.10111.4M225 V226 W364 Q365K194-M225 WeakPolarHBondContact O-CA 3.45Å; K194-V226 HydrophobicContact CG-CB 3.96Å; K194-V226 HydrophobicContact CG-CG2 4.16Å; K194-V226 PolarHBondContact O-N 3.14Å; K194-W364 HydrophobicContact CB-CE3 4.17Å; K194-W364 HydrophobicContact CD-CD2 4.38Å; K194-W364 HydrophobicContact CD-CE3 3.84Å; K194-W364 HydrophobicContact CD-CZ3 4.43Å; K194-W364 HydrophobicContact CG-CE3 3.72Å; K194-W364 HydrophobicContact CG-CZ3 4.04Å; K194-Q365 CarbonylContact C-O 3.57Å; K194-Q365 WeakPolarHBondContact CA-O 3.46Å; K194-Q365 WeakPolarHBondContact CB-O 3.43Å
195V98.6Very high96.5Very high0 Ų050.9 Ų50.90%026%0.258CS..EExtended strand (participates in β ladder)trans-133.9153-178.7-58.30000111.6Q224 M225 V351 T354 I355 W364 Q365 I367V195-Q224 CarbonylContact C-O 3.56Å; V195-Q224 WeakPolarHBondContact CA-O 3.16Å; V195-Q224 WeakPolarHBondContact CB-O 3.29Å; V195-M225 HydrophobicContact CG1-CB 4.11Å; V195-M225 HydrophobicContact CG1-CG 3.73Å; V195-M225 HydrophobicContact CG1-SD 4.38Å; V195-V351 HydrophobicContact CG1-CG1 4.12Å; V195-T354 HydrophobicContact CG2-CG2 3.52Å; V195-I355 HydrophobicContact CB-CG1 3.99Å; V195-I355 HydrophobicContact CG1-CG1 4.34Å; V195-I355 HydrophobicContact CG2-CG1 3.79Å; V195-W364 WeakPolarHBondContact O-CA 3.5Å; V195-Q365 PolarHBondContact N-O 2.97Å; V195-Q365 PolarHBondContact O-N 2.89Å; V195-I367 HydrophobicContact CG1-CD1 3.55Å; V195-I367 HydrophobicContact CG1-CG1 4.03Å
196H98.6Very high96Very high60 Ų6052 Ų5228%0.27827%0.266SS..EExtended strand (participates in β ladder)trans-135134.2166.2175.9-91.8000108.8F223 Q224 S358 W364H196-F223 CarbonylContact O-C 3.53Å; H196-F223 VanDerWaalsContact O-CA 3.26Å; H196-F223 WeakPolarHBondContact O-CA 3.39Å; H196-Q224 PolarHBondContact N-O 2.71Å; H196-Q224 PolarHBondContact O-N 3.33Å; H196-S358 VanDerWaalsContact CA-OG 3.3Å; H196-S358 WeakPolarHBondContact CA-OG 3.44Å; H196-W364 HydrophobicContact CB-CD2 3.53Å; H196-W364 HydrophobicContact CB-CE3 3.77Å; H196-W364 HydrophobicContact CB-CG 4.01Å; H196-W364 HydrophobicContact CB-CH2 4.05Å; H196-W364 HydrophobicContact CB-CZ2 3.82Å; H196-W364 HydrophobicContact CB-CZ3 4.03Å
197G98Very high95.5Very high3 Ų358 Ų583%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-154.8159.6-178.100000115T222 S358 N359G197-T222 CarbonylContact C-O 3.57Å; G197-T222 VanDerWaalsContact CA-O 3.32Å; G197-T222 WeakPolarHBondContact CA-O 3.17Å; G197-S358 PolarHBondContact N-OG 2.88Å; G197-N359 VanDerWaalsContact O-CA 3.22Å; G197-N359 WeakPolarHBondContact O-CA 3.46Å; G197-N359 WeakPolarHBondContact O-CB 3.44Å; G197-N359 PolarHBondContact O-N 2.92Å
198F97.9Very high94.8Very high93 Ų9363.8 Ų63.841%0.40833%0.325SS..EExtended strand (participates in β ladder)trans-129.2131.1179.3176.6-99.7000109.4K200 F220 C221 T222 N359F198-K200 HydrophobicContact CE1-CB 4.03Å; F198-K200 HydrophobicContact CZ-CB 4.3Å; F198-K200 HydrophobicContact CZ-CD 4.22Å; F198-F220 HydrophobicContact CD1-CD1 4.35Å; F198-F220 HydrophobicContact CD1-CE1 4.13Å; F198-F220 HydrophobicContact CE1-CD1 4.29Å; F198-F220 HydrophobicContact CE1-CE1 4.29Å; F198-C221 WeakPolarHBondContact O-CA 3.15Å; F198-T222 HydrophobicContact CB-CG2 4.08Å; F198-T222 HydrophobicContact CD1-CG2 4.45Å; F198-T222 PolarHBondContact N-O 2.7Å; F198-T222 PolarHBondContact O-N 2.74Å; F198-N359 WeakPolarHBondContact CA-OD1 3.2Å
199L97.6Very high94.3Very high20 Ų2063.1 Ų63.111%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-124.2143.2178.8-74.282.2000109.7L173 D218 C221 I355 K356 N359L173-L199 HydrophobicContact CB-CD2 4.07Å; L173-L199 HydrophobicContact CD2-CD1 4.15Å; L173-L199 HydrophobicContact CD2-CD2 3.69Å; L173-L199 HydrophobicContact CD2-CG 4.35Å; L199-D218 HydrophobicContact CB-CB 4.22Å; L199-D218 HydrophobicContact CD2-CB 4Å; L199-D218 HydrophobicContact CG-CB 4.4Å; L199-C221 HydrophobicContact CG-CB 4.26Å; L199-I355 HydrophobicContact CD1-CG2 3.83Å; L199-K356 HydrophobicContact CD2-CG 4.36Å; L199-N359 HydrophobicContact CD1-CB 3.72Å; L199-N359 PolarHBondContact N-OD1 3.16Å; L199-N359 PolarHBondContact O-OD1 3.24Å
200K96.9Very high93.4Very high94 Ų9469.6 Ų69.641%0.40933%0.325SS..EExtended strand (participates in β ladder)trans-140.4142.6174.4-161.265.6168.4-169.70111.1F198 F202 D218 D219 F220F198-K200 HydrophobicContact CE1-CB 4.03Å; F198-K200 HydrophobicContact CZ-CB 4.3Å; F198-K200 HydrophobicContact CZ-CD 4.22Å; K200-F202 HydrophobicContact CB-CD2 4.09Å; K200-F202 HydrophobicContact CB-CE2 3.73Å; K200-F202 HydrophobicContact CB-CZ 4.1Å; K200-F202 HydrophobicContact CG-CD1 4.02Å; K200-F202 HydrophobicContact CG-CD2 3.87Å; K200-F202 HydrophobicContact CG-CE1 3.79Å; K200-F202 HydrophobicContact CG-CE2 3.63Å; K200-F202 HydrophobicContact CG-CG 4.07Å; K200-F202 HydrophobicContact CG-CZ 3.6Å; K200-D218 WeakPolarHBondContact O-CA 3.29Å; K200-D219 PolarHBondContact O-N 3.47Å; K200-D219 VanDerWaalsContact O-OD1 3.06Å; K200-F220 HydrophobicContact CB-CB 4.43Å; K200-F220 HydrophobicContact CB-CD1 4.41Å; K200-F220 PolarHBondContact N-O 3.17Å; K200-F220 PolarHBondContact O-N 2.67Å; K200-F220 VanDerWaalsContact O-N 3.13Å
201T96.4Very high92.4Very high27 Ų2769.8 Ų69.817%0.16634%0.337CS..  trans-108.1101.1163.1-520000107.1V203 K204 I215 T216 S217T201-V203 WeakPolarHBondContact CG2-O 3.49Å; T201-K204 HydrophobicContact CG2-CG 4.21Å; T201-I215 HydrophobicContact CG2-CG2 4.21Å; T201-T216 PolarHBondContact OG1-O 2.93Å; T201-S217 WeakPolarHBondContact CB-O 3.45Å; T201-S217 WeakPolarHBondContact CG2-O 3.28Å; T201-S217 PolarHBondContact OG1-O 2.91Å
202F94.6Very high91.4Very high125 Ų12574.6 Ų74.655%0.54837%0.366SS..  trans-79.6-41.4174.4-71-74.8000111K200 D219 F220K200-F202 HydrophobicContact CB-CD2 4.09Å; K200-F202 HydrophobicContact CB-CE2 3.73Å; K200-F202 HydrophobicContact CB-CZ 4.1Å; K200-F202 HydrophobicContact CG-CD1 4.02Å; K200-F202 HydrophobicContact CG-CD2 3.87Å; K200-F202 HydrophobicContact CG-CE1 3.79Å; K200-F202 HydrophobicContact CG-CE2 3.63Å; K200-F202 HydrophobicContact CG-CG 4.07Å; K200-F202 HydrophobicContact CG-CZ 3.6Å; F202-D219 WeakPolarHBondContact CD2-OD1 3.49Å; F202-D219 VanDerWaalsContact N-CG 3.33Å; F202-D219 PolarHBondContact N-OD1 3.36Å; F202-D219 PolarHBondContact N-OD2 3.02Å; F202-F220 HydrophobicContact CD2-CB 3.9Å; F202-F220 HydrophobicContact CE2-CB 3.63Å; F202-F220 HydrophobicContact CE2-CD1 4.12Å; F202-F220 AromaticContact CE2-CG 3.97Å; F202-F220 HydrophobicContact CE2-CG 3.97Å
203V92.2Very high90.4Very high45 Ų4579.4 Ų79.427%0.27338%0.383SS..  trans-9596.9-178.5-174.90000110L156 T201 Q205 T206 D219L156-V203 HydrophobicContact CD1-CG1 4.23Å; T201-V203 WeakPolarHBondContact CG2-O 3.49Å; V203-Q205 VanDerWaalsContact CG1-O 3.3Å; V203-Q205 WeakPolarHBondContact CG1-O 3.22Å; V203-T206 HydrophobicContact CG1-CG2 3.83Å; V203-D219 WeakPolarHBondContact CB-OD2 3.39Å; V203-D219 PolarHBondContact N-OD2 3.02Å
204K91.6Very high89.9Confident123 Ų12379.9 Ų79.954%0.53538%0.381SS..SBendtrans-90-20178.1-60.6-174.2178-178.10113.9T201 Q214 I215T201-K204 HydrophobicContact CG2-CG 4.21Å; K204-Q214 VanDerWaalsContact CB-OE1 3.3Å; K204-Q214 PolarHBondContact O-OE1 3.49Å; K204-I215 PolarHBondContact O-N 2.94Å
205Q90.4Very high89.6Confident87 Ų8776.4 Ų76.441%0.40737%0.366SS..  trans-145156.4176.6-66.5-174-30.500109.7V203 I209 G211V203-Q205 VanDerWaalsContact CG1-O 3.3Å; V203-Q205 WeakPolarHBondContact CG1-O 3.22Å; Q205-I209 CarbonylContact C-O 3.56Å; Q205-I209 VanDerWaalsContact CA-O 3.32Å; Q205-I209 WeakPolarHBondContact CA-O 3.27Å; Q205-I209 WeakPolarHBondContact CB-O 3.37Å; Q205-G211 PolarHBondContact NE2-O 3.27Å
206T87.1Confident89.3Confident38 Ų3879.6 Ų79.623%0.23339%0.386CS..  trans-129.2171.8171.672.40000109.6L156 V203 H208 I209 I215L156-T206 HydrophobicContact CD1-CG2 4.09Å; V203-T206 HydrophobicContact CG1-CG2 3.83Å; T206-H208 PolarHBondContact O-N 3.06Å; T206-H208 VanDerWaalsContact O-N 3.12Å; T206-H208 PolarHBondContact OG1-N 3.47Å; T206-I209 PolarHBondContact N-O 3.28Å; T206-I209 CarbonylContact O-C 3.5Å; T206-I209 VanDerWaalsContact O-C 3.22Å; T206-I209 PolarHBondContact O-N 3.36Å; T206-I209 VanDerWaalsContact O-O 3.09Å; T206-I209 VanDerWaalsContact OG1-CB 3.29Å; T206-I209 WeakPolarHBondContact OG1-CB 3.39Å; T206-I209 WeakPolarHBondContact OG1-CG1 3.48Å; T206-I209 PolarHBondContact OG1-N 2.78Å; T206-I215 HydrophobicContact CG2-CD1 4.11Å
207D85.8Confident89.2Confident141 Ų14176.9 Ų76.975%0.75437%0.374SS*.SBendtrans-56.3-30.5176.1-67.6-28.2000113
208H84.7Confident89.1Confident130 Ų13077.1 Ų77.160%0.60237%0.374SS*.SBendtrans-97.9-25.4179.3-53.1-54.4000113.3K158 T206K158-H208 WeakPolarHBondContact O-CB 3.29Å; T206-H208 PolarHBondContact O-N 3.06Å; T206-H208 VanDerWaalsContact O-N 3.12Å; T206-H208 PolarHBondContact OG1-N 3.47Å
209I84.4Confident89Confident8 Ų873.4 Ų73.44%0.04136%0.359CS..SBendtrans-109.680178.4-56.4176.4000107.8Y160 Q205 T206 I215Y160-I209 HydrophobicContact CD2-CG2 3.63Å; Y160-I209 HydrophobicContact CG-CG2 4.37Å; Q205-I209 CarbonylContact C-O 3.56Å; Q205-I209 VanDerWaalsContact CA-O 3.32Å; Q205-I209 WeakPolarHBondContact CA-O 3.27Å; Q205-I209 WeakPolarHBondContact CB-O 3.37Å; T206-I209 PolarHBondContact N-O 3.28Å; T206-I209 CarbonylContact O-C 3.5Å; T206-I209 VanDerWaalsContact O-C 3.22Å; T206-I209 PolarHBondContact O-N 3.36Å; T206-I209 VanDerWaalsContact O-O 3.09Å; T206-I209 VanDerWaalsContact OG1-CB 3.29Å; T206-I209 WeakPolarHBondContact OG1-CB 3.39Å; T206-I209 WeakPolarHBondContact OG1-CG1 3.48Å; T206-I209 PolarHBondContact OG1-N 2.78Å; I209-I215 HydrophobicContact CB-CD1 4.41Å; I209-I215 HydrophobicContact CD1-CD1 4.45Å; I209-I215 HydrophobicContact CG2-CD1 4.03Å; I209-I215 HydrophobicContact CG2-CG1 4.08Å
210R79Confident89Confident202 Ų20274.5 Ų74.576%0.76236%0.363SS*.  trans-128.2142.5-18060.6-174.9-174.5-179.31.3110.5
211G74.8Confident89Confident43 Ų4370 Ų7044%0.44334%0.343SS..SBendtrans133.8-150.8177.500000113.7Q205 R213Q205-G211 PolarHBondContact NE2-O 3.27Å; G211-R213 VanDerWaalsContact C-N 3.31Å; G211-R213 PolarHBondContact O-N 2.91Å
212I75.9Confident89.1Confident175 Ų17570.8 Ų70.890%0.89735%0.348SS*.SBendtrans-65.9-33.8-173.1-58.6171.7000111.7
213R78.1Confident89.3Confident106 Ų10664.9 Ų64.940%0.432%0.322SS..PPolyproline II helixtrans-85.3122.9179.8-67.4-171.1-172.9156.513.8110.7Y160 G211 L393Y160-R213 HydrophobicContact CE1-CB 4.5Å; Y160-R213 HydrophobicContact CE2-CB 4.35Å; G211-R213 VanDerWaalsContact C-N 3.31Å; G211-R213 PolarHBondContact O-N 2.91Å; R213-L393 PolarHBondContact NH1-O 3.36Å
214Q86.6Confident89.6Confident78 Ų7866.7 Ų66.736%0.36433%0.327SS..PPolyproline II helixtrans-94.3147.3172.2-59.4-67.4-40.200109.3Y160 K204Y160-Q214 PolarHBondContact OH-O 3.38Å; K204-Q214 VanDerWaalsContact CB-OE1 3.3Å; K204-Q214 PolarHBondContact O-OE1 3.49Å
215I92.2Very high89.9Confident6 Ų661 Ų613%0.03130%0.303CS..PPolyproline II helixtrans-69.1130.2166.5-64.6149.9000107.7L156 Y160 C164 T201 K204 T206 I209 S217L156-I215 HydrophobicContact CD1-CD1 3.54Å; L156-I215 HydrophobicContact CD1-CG1 4.35Å; L156-I215 HydrophobicContact CD1-CG2 4.33Å; L156-I215 HydrophobicContact CD2-CG2 4.22Å; Y160-I215 HydrophobicContact CE2-CG1 4.36Å; C164-I215 HydrophobicContact CB-CG1 4.14Å; C164-I215 HydrophobicContact CB-CG2 4.47Å; T201-I215 HydrophobicContact CG2-CG2 4.21Å; K204-I215 PolarHBondContact O-N 2.94Å; T206-I215 HydrophobicContact CG2-CD1 4.11Å; I209-I215 HydrophobicContact CB-CD1 4.41Å; I209-I215 HydrophobicContact CD1-CD1 4.45Å; I209-I215 HydrophobicContact CG2-CD1 4.03Å; I209-I215 HydrophobicContact CG2-CG1 4.08Å; I215-S217 VanDerWaalsContact CG2-OG 3.24Å; I215-S217 WeakPolarHBondContact CG2-OG 3.16Å
216T93.5Very high90.3Very high67 Ų6758.4 Ų58.441%0.41129%0.293SS..  trans-116-16.1-179.558.70000112.9C164 D165 D166 T201C164-T216 PolarHBondContact O-N 2.91Å; D165-T216 WeakPolarHBondContact CA-OG1 3.3Å; D166-T216 PolarHBondContact N-OG1 2.77Å; T201-T216 PolarHBondContact OG1-O 2.93Å
217S94.6Very high90.8Very high4 Ų456.7 Ų56.73%0.02828%0.282CS..SBendtrans-62.7144.6173.454.70000112S163 C164 T201 I215S163-S217 WeakPolarHBondContact O-CB 3.4Å; S163-S217 PolarHBondContact O-OG 3.37Å; S163-S217 VanDerWaalsContact O-OG 3.11Å; C164-S217 WeakPolarHBondContact CA-OG 3.5Å; C164-S217 PolarHBondContact O-N 3.48Å; C164-S217 PolarHBondContact O-OG 2.95Å; T201-S217 WeakPolarHBondContact CB-O 3.45Å; T201-S217 WeakPolarHBondContact CG2-O 3.28Å; T201-S217 PolarHBondContact OG1-O 2.91Å; I215-S217 VanDerWaalsContact CG2-OG 3.24Å; I215-S217 WeakPolarHBondContact CG2-OG 3.16Å
218D96.6Very high91.3Very high8 Ų856.1 Ų56.14%0.04328%0.275CS..  trans-72.1141.6174.963.8-70.7000112.2G171 G172 L173 L199 K200G171-D218 VanDerWaalsContact CA-O 3.29Å; G171-D218 WeakPolarHBondContact CA-O 3.29Å; G171-D218 WeakPolarHBondContact CA-OD1 3.48Å; G172-D218 WeakPolarHBondContact CA-OD2 3.18Å; G172-D218 PolarHBondContact N-O 3.17Å; G172-D218 PolarHBondContact N-OD1 3.37Å; G172-D218 PolarHBondContact N-OD2 3Å; L173-D218 PolarHBondContact N-OD2 2.95Å; L199-D218 HydrophobicContact CB-CB 4.22Å; L199-D218 HydrophobicContact CD2-CB 4Å; L199-D218 HydrophobicContact CG-CB 4.4Å; K200-D218 WeakPolarHBondContact O-CA 3.29Å
219D95.6Very high91.7Very high15 Ų1552.8 Ų52.88%0.0828%0.276CS..SBendtrans-113.5-6.5171.154.926.8000112.1K200 F202 V203 F239 N240K200-D219 PolarHBondContact O-N 3.47Å; K200-D219 VanDerWaalsContact O-OD1 3.06Å; F202-D219 WeakPolarHBondContact CD2-OD1 3.49Å; F202-D219 VanDerWaalsContact N-CG 3.33Å; F202-D219 PolarHBondContact N-OD1 3.36Å; F202-D219 PolarHBondContact N-OD2 3.02Å; V203-D219 WeakPolarHBondContact CB-OD2 3.39Å; V203-D219 PolarHBondContact N-OD2 3.02Å; D219-F239 WeakPolarHBondContact O-CB 3.34Å; D219-F239 WeakPolarHBondContact O-CD2 3.21Å; D219-F239 PolarHBondContact O-N 2.92Å; D219-N240 PolarHBondContact O-ND2 2.85Å
220F97.7Very high92.3Very high43 Ų4354.8 Ų54.819%0.18930%0.298CS..EExtended strand (participates in β ladder)trans-140.4131.9170.9178.3-99.2000110.1F198 K200 F202 T222 T236 L237 N238F198-F220 HydrophobicContact CD1-CD1 4.35Å; F198-F220 HydrophobicContact CD1-CE1 4.13Å; F198-F220 HydrophobicContact CE1-CD1 4.29Å; F198-F220 HydrophobicContact CE1-CE1 4.29Å; K200-F220 HydrophobicContact CB-CB 4.43Å; K200-F220 HydrophobicContact CB-CD1 4.41Å; K200-F220 PolarHBondContact N-O 3.17Å; K200-F220 PolarHBondContact O-N 2.67Å; K200-F220 VanDerWaalsContact O-N 3.13Å; F202-F220 HydrophobicContact CD2-CB 3.9Å; F202-F220 HydrophobicContact CE2-CB 3.63Å; F202-F220 HydrophobicContact CE2-CD1 4.12Å; F202-F220 AromaticContact CE2-CG 3.97Å; F202-F220 HydrophobicContact CE2-CG 3.97Å; F220-T222 HydrophobicContact CE1-CG2 4.24Å; F220-T222 HydrophobicContact CZ-CG2 4.43Å; F220-T236 HydrophobicContact CE2-CG2 4.2Å; F220-L237 WeakPolarHBondContact CA-O 3.32Å; F220-N238 HydrophobicContact CD2-CB 4.01Å; F220-N238 HydrophobicContact CE2-CB 4.33Å
221C97.7Very high93.1Very high0 Ų045.2 Ų45.20%026%0.263CS..EExtended strand (participates in β ladder)trans-143.2136.4176.3-178.80000110.2L173 F198 L199 L237L173-C221 HydrophobicContact CB-CB 4.41Å; F198-C221 WeakPolarHBondContact O-CA 3.15Å; L199-C221 HydrophobicContact CG-CB 4.26Å; C221-L237 HydrophobicContact CB-CB 4.33Å; C221-L237 HydrophobicContact CB-CD1 4.41Å; C221-L237 PolarHBondContact N-O 3.3Å; C221-L237 PolarHBondContact O-N 2.98Å
222T98.3Very high94.3Very high43 Ų4346 Ų4626%0.26426%0.26SS..EExtended strand (participates in β ladder)trans-132.3134.5166.3-177.40000109.4G197 F198 F220 V235G197-T222 CarbonylContact C-O 3.57Å; G197-T222 VanDerWaalsContact CA-O 3.32Å; G197-T222 WeakPolarHBondContact CA-O 3.17Å; F198-T222 HydrophobicContact CB-CG2 4.08Å; F198-T222 HydrophobicContact CD1-CG2 4.45Å; F198-T222 PolarHBondContact N-O 2.7Å; F198-T222 PolarHBondContact O-N 2.74Å; F220-T222 HydrophobicContact CE1-CG2 4.24Å; F220-T222 HydrophobicContact CZ-CG2 4.43Å; T222-V235 CarbonylContact C-O 3.58Å; T222-V235 VanDerWaalsContact CA-O 3.25Å; T222-V235 WeakPolarHBondContact CA-O 3.43Å; T222-V235 PolarHBondContact OG1-O 3.34Å
223F98.6Very high95.3Very high1 Ų137.7 Ų37.70%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-147.7156.6179.863.6-90.1000112.1L173 I181 H196 M225 V235 L237 I355L173-F223 HydrophobicContact CD1-CD1 4.05Å; L173-F223 HydrophobicContact CD1-CE1 3.79Å; L173-F223 HydrophobicContact CD1-CZ 4.47Å; I181-F223 HydrophobicContact CD1-CE2 4.38Å; I181-F223 HydrophobicContact CD1-CZ 4.17Å; I181-F223 HydrophobicContact CG1-CE2 4Å; I181-F223 HydrophobicContact CG1-CZ 3.92Å; H196-F223 CarbonylContact O-C 3.53Å; H196-F223 VanDerWaalsContact O-CA 3.26Å; H196-F223 WeakPolarHBondContact O-CA 3.39Å; F223-M225 HydrophobicContact CD2-CG 3.91Å; F223-M225 HydrophobicContact CD2-SD 4.33Å; F223-M225 HydrophobicContact CE2-CE 4.21Å; F223-M225 HydrophobicContact CE2-CG 4.07Å; F223-M225 HydrophobicContact CE2-SD 3.93Å; F223-V235 HydrophobicContact CD1-CB 4Å; F223-V235 HydrophobicContact CD1-CG1 4.32Å; F223-V235 HydrophobicContact CD2-CB 4.09Å; F223-V235 HydrophobicContact CD2-CG2 4.2Å; F223-V235 HydrophobicContact CE1-CB 3.57Å; F223-V235 HydrophobicContact CE1-CG1 3.52Å; F223-V235 HydrophobicContact CE1-CG2 4.27Å; F223-V235 HydrophobicContact CE2-CB 3.66Å; F223-V235 HydrophobicContact CE2-CG1 4.3Å; F223-V235 HydrophobicContact CE2-CG2 3.5Å; F223-V235 HydrophobicContact CG-CB 4.26Å; F223-V235 HydrophobicContact CZ-CB 3.39Å; F223-V235 HydrophobicContact CZ-CG1 3.52Å; F223-V235 HydrophobicContact CZ-CG2 3.56Å; F223-V235 PolarHBondContact N-O 2.83Å; F223-V235 PolarHBondContact O-N 3.33Å; F223-L237 HydrophobicContact CE1-CD1 4.29Å; F223-I355 HydrophobicContact CB-CD1 4.19Å; F223-I355 HydrophobicContact CB-CG1 4.36Å; F223-I355 HydrophobicContact CB-CG2 3.99Å; F223-I355 HydrophobicContact CD1-CD1 4.16Å; F223-I355 HydrophobicContact CD2-CD1 3.58Å; F223-I355 HydrophobicContact CD2-CG1 4.44Å; F223-I355 HydrophobicContact CE1-CD1 4.41Å; F223-I355 HydrophobicContact CE2-CD1 3.88Å; F223-I355 HydrophobicContact CG-CD1 3.73Å; F223-I355 HydrophobicContact CG-CG1 4.43Å; F223-I355 HydrophobicContact CG-CG2 4.44Å; F223-I355 HydrophobicContact CZ-CD1 4.27Å
224Q98.6Very high96.3Very high83 Ų8334.8 Ų34.839%0.38821%0.212SC..EExtended strand (participates in β ladder)trans-121.2144.7177.3-65.9176.1-23.200109.3V195 H196 C233 T234 W364V195-Q224 CarbonylContact C-O 3.56Å; V195-Q224 WeakPolarHBondContact CA-O 3.16Å; V195-Q224 WeakPolarHBondContact CB-O 3.29Å; H196-Q224 PolarHBondContact N-O 2.71Å; H196-Q224 PolarHBondContact O-N 3.33Å; Q224-C233 CarbonylContact C-O 3.57Å; Q224-C233 WeakPolarHBondContact CA-O 3.45Å; Q224-T234 HydrophobicContact CG-CG2 4.36Å; Q224-W364 HydrophobicContact CB-CH2 3.78Å; Q224-W364 HydrophobicContact CB-CZ2 4.41Å
225M98.5Very high96.9Very high3 Ų331.1 Ų31.12%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-130.7141.6174.1-46.6-172.8-71.800109.4I181 L184 A192 K194 V195 F223 C232 C233 V351I181-M225 HydrophobicContact CG1-SD 4.21Å; L184-M225 HydrophobicContact CD1-CE 3.75Å; A192-M225 HydrophobicContact CB-CB 3.95Å; A192-M225 HydrophobicContact CB-CG 4.47Å; A192-M225 HydrophobicContact CB-SD 4.08Å; K194-M225 WeakPolarHBondContact O-CA 3.45Å; V195-M225 HydrophobicContact CG1-CB 4.11Å; V195-M225 HydrophobicContact CG1-CG 3.73Å; V195-M225 HydrophobicContact CG1-SD 4.38Å; F223-M225 HydrophobicContact CD2-CG 3.91Å; F223-M225 HydrophobicContact CD2-SD 4.33Å; F223-M225 HydrophobicContact CE2-CE 4.21Å; F223-M225 HydrophobicContact CE2-CG 4.07Å; F223-M225 HydrophobicContact CE2-SD 3.93Å; M225-C232 WeakPolarHBondContact O-CA 3.31Å; M225-C233 HydrophobicContact CB-CB 4.14Å; M225-C233 HydrophobicContact CE-CB 3.8Å; M225-C233 PolarHBondContact N-O 3.24Å; M225-C233 PolarHBondContact O-N 3.08Å; M225-V351 HydrophobicContact SD-CG1 3.91Å
226V98.6Very high97.2Very high32 Ų3232.3 Ų32.319%0.19420%0.202CC..EExtended strand (participates in β ladder)trans-105.5122.1166.4-179.40000107.5A192 V193 K194 W364A192-V226 WeakPolarHBondContact CA-O 3.48Å; V193-V226 PolarHBondContact N-O 3.07Å; K194-V226 HydrophobicContact CG-CB 3.96Å; K194-V226 HydrophobicContact CG-CG2 4.16Å; K194-V226 PolarHBondContact O-N 3.14Å; V226-W364 HydrophobicContact CG2-CH2 4.05Å; V226-W364 HydrophobicContact CG2-CZ3 3.93Å
227L98Very high97.4Very high3 Ų329.1 Ų29.12%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-81.7163.1-179.8-54.6-172.9000111.6L143 T188 Q190 R191 A192 G229 G230 A231L143-L227 HydrophobicContact CD2-CD1 4.37Å; T188-L227 HydrophobicContact CG2-CD1 4.03Å; Q190-L227 HydrophobicContact CB-CB 3.98Å; Q190-L227 HydrophobicContact CB-CD1 4.06Å; R191-L227 CarbonylContact O-C 3.09Å; R191-L227 WeakPolarHBondContact O-CA 3.22Å; A192-L227 HydrophobicContact CB-CD2 4.02Å; L227-G229 PolarHBondContact O-N 3.29Å; L227-G230 PolarHBondContact O-N 2.67Å; L227-A231 HydrophobicContact CB-CB 4.47Å; L227-A231 HydrophobicContact CD1-CB 4.25Å; L227-A231 PolarHBondContact N-O 3.02Å
228E96.5Very high97.5Very high128 Ų12830.6 Ų30.660%0.59819%0.19SC*.THydrogen-bonded Turntrans-55.7-35179.6-75.9164.6160.900113.5R191 V193 G230R191-E228 PolarHBondContact N-OE2 3.16Å; R191-E228 WeakPolarHBondContact O-CG 3.46Å; R191-E228 PolarHBondContact O-N 2.88Å; V193-E228 HydrophobicContact CG2-CB 4.27Å; V193-E228 HydrophobicContact CG2-CG 3.66Å; E228-G230 VanDerWaalsContact C-N 3.26Å; E228-G230 PolarHBondContact O-N 2.85Å
229G92.6Very high97.5Very high60 Ų6030.4 Ų30.462%0.61919%0.189SC*.THydrogen-bonded Turntrans-83.68.1175.100000114.5L227 A231L227-G229 PolarHBondContact O-N 3.29Å; G229-A231 VanDerWaalsContact C-N 3.3Å; G229-A231 PolarHBondContact O-N 2.99Å
230G95.9Very high97.3Very high50 Ų5032.8 Ų32.852%0.51520%0.202SC..SBendtrans84.4-5.8177.400000115.4L227 E228L227-G230 PolarHBondContact O-N 2.67Å; E228-G230 VanDerWaalsContact C-N 3.26Å; E228-G230 PolarHBondContact O-N 2.85Å
231A97.4Very high97Very high2 Ų233 Ų332%0.01721%0.207CC..  trans-63.6145.917400000111.6L143 L144 L227 G229L143-A231 HydrophobicContact CD2-CB 3.73Å; L143-A231 HydrophobicContact CG-CB 3.77Å; L144-A231 WeakPolarHBondContact O-CA 3.09Å; L227-A231 HydrophobicContact CB-CB 4.47Å; L227-A231 HydrophobicContact CD1-CB 4.25Å; L227-A231 PolarHBondContact N-O 3.02Å; G229-A231 VanDerWaalsContact C-N 3.3Å; G229-A231 PolarHBondContact O-N 2.99Å
232C98.1Very high96.4Very high58 Ų5838.7 Ų38.739%0.39224%0.244SC..EExtended strand (participates in β ladder)trans-105.8132.2-178.6-69.60000111.1L144 V145 C146 M225L144-C232 PolarHBondContact O-N 3.21Å; V145-C232 CarbonylContact C-O 3.22Å; V145-C232 VanDerWaalsContact CA-O 3.27Å; V145-C232 WeakPolarHBondContact CA-O 3.28Å; C146-C232 PolarHBondContact N-O 3.14Å; M225-C232 WeakPolarHBondContact O-CA 3.31Å
233C98.5Very high95.7Very high1 Ų139.7 Ų39.71%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-109.3133.8172.6-58.90000110.1C146 L184 Q224 M225C146-C233 HydrophobicContact CB-CB 4.31Å; C146-C233 CarbonylContact O-C 3.44Å; C146-C233 VanDerWaalsContact O-CA 3.25Å; C146-C233 WeakPolarHBondContact O-CA 3.25Å; L184-C233 HydrophobicContact CD1-CB 4.13Å; Q224-C233 CarbonylContact C-O 3.57Å; Q224-C233 WeakPolarHBondContact CA-O 3.45Å; M225-C233 HydrophobicContact CB-CB 4.14Å; M225-C233 HydrophobicContact CE-CB 3.8Å; M225-C233 PolarHBondContact N-O 3.24Å; M225-C233 PolarHBondContact O-N 3.08Å
234T98.5Very high94.9Very high46 Ų4648.4 Ų48.428%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-120.4128.8169.2-57.40000109.7C146 E147 A148 Q224C146-T234 PolarHBondContact O-N 2.73Å; E147-T234 CarbonylContact C-O 3.59Å; E147-T234 VanDerWaalsContact CA-O 3.3Å; E147-T234 WeakPolarHBondContact CA-O 3.49Å; A148-T234 PolarHBondContact N-O 2.78Å; Q224-T234 HydrophobicContact CG-CG2 4.36Å
235V98.7Very high94.5Very high0 Ų046.7 Ų46.70%030%0.295CS..EExtended strand (participates in β ladder)trans-126.3133.6-178.3-175.30000110A148 I180 L184 T222 F223 L237A148-V235 HydrophobicContact CB-CG1 4.23Å; A148-V235 HydrophobicContact CB-CG2 4.18Å; A148-V235 CarbonylContact O-C 3.53Å; A148-V235 VanDerWaalsContact O-CA 3.28Å; A148-V235 WeakPolarHBondContact O-CA 3.24Å; I180-V235 HydrophobicContact CG2-CG1 3.87Å; I180-V235 HydrophobicContact CG2-CG2 3.99Å; L184-V235 HydrophobicContact CD1-CG2 3.92Å; T222-V235 CarbonylContact C-O 3.58Å; T222-V235 VanDerWaalsContact CA-O 3.25Å; T222-V235 WeakPolarHBondContact CA-O 3.43Å; T222-V235 PolarHBondContact OG1-O 3.34Å; F223-V235 HydrophobicContact CD1-CB 4Å; F223-V235 HydrophobicContact CD1-CG1 4.32Å; F223-V235 HydrophobicContact CD2-CB 4.09Å; F223-V235 HydrophobicContact CD2-CG2 4.2Å; F223-V235 HydrophobicContact CE1-CB 3.57Å; F223-V235 HydrophobicContact CE1-CG1 3.52Å; F223-V235 HydrophobicContact CE1-CG2 4.27Å; F223-V235 HydrophobicContact CE2-CB 3.66Å; F223-V235 HydrophobicContact CE2-CG1 4.3Å; F223-V235 HydrophobicContact CE2-CG2 3.5Å; F223-V235 HydrophobicContact CG-CB 4.26Å; F223-V235 HydrophobicContact CZ-CB 3.39Å; F223-V235 HydrophobicContact CZ-CG1 3.52Å; F223-V235 HydrophobicContact CZ-CG2 3.56Å; F223-V235 PolarHBondContact N-O 2.83Å; F223-V235 PolarHBondContact O-N 3.33Å; V235-L237 HydrophobicContact CG1-CD2 3.82Å; V235-L237 HydrophobicContact CG1-CG 4.1Å
236T98.5Very high94.2Very high31 Ų3152.9 Ų52.919%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-126.7122.9173-61.70000109.8A148 Q149 V150 F220A148-T236 PolarHBondContact O-N 3.07Å; Q149-T236 WeakPolarHBondContact CA-O 3.39Å; V150-T236 PolarHBondContact N-O 3.23Å; F220-T236 HydrophobicContact CE2-CG2 4.2Å
237L98.2Very high94Very high0 Ų051.5 Ų51.50%031%0.309CS..EExtended strand (participates in β ladder)trans-116.9118.7177-49.1177.4000108.1V150 V176 I180 F220 C221 F223 V235 F239V150-L237 HydrophobicContact CB-CD2 3.82Å; V150-L237 HydrophobicContact CG2-CD2 3.86Å; V150-L237 WeakPolarHBondContact O-CA 3.24Å; V176-L237 HydrophobicContact CG1-CD2 3.99Å; I180-L237 HydrophobicContact CG1-CD2 4.45Å; F220-L237 WeakPolarHBondContact CA-O 3.32Å; C221-L237 HydrophobicContact CB-CB 4.33Å; C221-L237 HydrophobicContact CB-CD1 4.41Å; C221-L237 PolarHBondContact N-O 3.3Å; C221-L237 PolarHBondContact O-N 2.98Å; F223-L237 HydrophobicContact CE1-CD1 4.29Å; V235-L237 HydrophobicContact CG1-CD2 3.82Å; V235-L237 HydrophobicContact CG1-CG 4.1Å; L237-F239 HydrophobicContact CB-CE2 3.69Å; L237-F239 HydrophobicContact CB-CZ 4.06Å
238N97Very high94Very high35 Ų3552.7 Ų52.719%0.18732%0.315CS..EExtended strand (participates in β ladder)trans-132.9109.8-177.6-170.9-5.6000111.1V150 H151 S152 F220 N240 V241V150-N238 PolarHBondContact O-N 3.16Å; H151-N238 WeakPolarHBondContact CA-O 3.2Å; S152-N238 PolarHBondContact N-O 2.88Å; F220-N238 HydrophobicContact CD2-CB 4.01Å; F220-N238 HydrophobicContact CE2-CB 4.33Å; N238-N240 WeakPolarHBondContact OD1-CB 3.13Å; N238-N240 PolarHBondContact OD1-N 3.03Å; N238-N240 PolarHBondContact OD1-ND2 3.37Å; N238-V241 HydrophobicContact CB-CG2 4.17Å; N238-V241 WeakPolarHBondContact ND2-CG2 3.42Å
239F95.5Very high94.1Very high4 Ų446.8 Ų46.82%0.01829%0.287CS..THydrogen-bonded Turntrans-101.818.9-178.9-55.5-73000112.8S152 G153 S154 L155 V176 D219 L237S152-F239 CarbonylContact O-C 3.51Å; S152-F239 WeakPolarHBondContact O-CA 3.23Å; G153-F239 CarbonylContact C-O 3.57Å; G153-F239 VanDerWaalsContact C-O 3.26Å; S154-F239 WeakPolarHBondContact CA-O 3.4Å; S154-F239 PolarHBondContact N-O 3.36Å; L155-F239 HydrophobicContact CD1-CB 4.35Å; L155-F239 HydrophobicContact CD1-CD1 3.6Å; L155-F239 HydrophobicContact CD1-CD2 3.66Å; L155-F239 HydrophobicContact CD1-CE1 3.76Å; L155-F239 HydrophobicContact CD1-CE2 3.83Å; L155-F239 HydrophobicContact CD1-CG 3.56Å; L155-F239 HydrophobicContact CD1-CZ 3.88Å; L155-F239 HydrophobicContact CD2-CD1 3.52Å; L155-F239 HydrophobicContact CD2-CE1 3.76Å; L155-F239 HydrophobicContact CD2-CG 4.21Å; L155-F239 HydrophobicContact CG-CB 3.98Å; L155-F239 HydrophobicContact CG-CD1 3.39Å; L155-F239 HydrophobicContact CG-CD2 4.19Å; L155-F239 HydrophobicContact CG-CE1 3.93Å; L155-F239 HydrophobicContact CG-CG 3.55Å; V176-F239 HydrophobicContact CB-CZ 3.85Å; V176-F239 HydrophobicContact CG1-CZ 4.27Å; V176-F239 HydrophobicContact CG2-CE1 3.91Å; V176-F239 HydrophobicContact CG2-CZ 3.63Å; D219-F239 WeakPolarHBondContact O-CB 3.34Å; D219-F239 WeakPolarHBondContact O-CD2 3.21Å; D219-F239 PolarHBondContact O-N 2.92Å; L237-F239 HydrophobicContact CB-CE2 3.69Å; L237-F239 HydrophobicContact CB-CZ 4.06Å
240N92.4Very high94.3Very high65 Ų6544.8 Ų44.835%0.34826%0.263SS..THydrogen-bonded Turntrans-107.95.2176.6-59.5-80.8000112.4D219 N238 P242D219-N240 PolarHBondContact O-ND2 2.85Å; N238-N240 WeakPolarHBondContact OD1-CB 3.13Å; N238-N240 PolarHBondContact OD1-N 3.03Å; N238-N240 PolarHBondContact OD1-ND2 3.37Å; N240-P242 WeakPolarHBondContact O-CD 3.46Å
241V90.9Very high94.4Very high48 Ų4842.5 Ų42.529%0.29124%0.239SC..  trans-88.3116.1-176.9-179.60000109.2H151 S152 G153 N238H151-V241 HydrophobicContact CB-CB 4.2Å; H151-V241 HydrophobicContact CB-CG1 4.43Å; H151-V241 HydrophobicContact CB-CG2 4.08Å; S152-V241 CarbonylContact C-O 3.58Å; S152-V241 PolarHBondContact O-N 3.34Å; S152-V241 VanDerWaalsContact O-N 3.16Å; S152-V241 VanDerWaalsContact O-O 3.05Å; G153-V241 WeakPolarHBondContact CA-O 3.42Å; G153-V241 PolarHBondContact N-O 3.28Å; N238-V241 HydrophobicContact CB-CG2 4.17Å; N238-V241 WeakPolarHBondContact ND2-CG2 3.42Å
242P86.1Confident94.4Very high119 Ų11944.6 Ų44.677%0.77325%0.251SS*.  trans-68.6145.417529.6-33.9000110.4N240N240-P242 WeakPolarHBondContact O-CD 3.46Å
243G82Confident94.4Very high64 Ų6442 Ų4266%0.6623%0.234SC*.SBendtrans115.7-162.2178.300000112.5
244E82.4Confident94.3Very high184 Ų18445 Ų4586%0.8625%0.252SS*.SBendtrans-74.1153.4-176.9-65-176.4170.600112.1R246E244-R246 PolarHBondContact O-N 3.3Å
245F90.1Very high94.1Very high48 Ų4847 Ų4721%0.21126%0.26CS..  trans-59.9127.2172.4177.6-85.6000110.5V150 H151 Q247 P304 Y307V150-F245 HydrophobicContact CG1-CD2 4.43Å; V150-F245 HydrophobicContact CG1-CE2 3.43Å; V150-F245 VanDerWaalsContact CG1-CE2 3.43Å; V150-F245 HydrophobicContact CG1-CZ 3.52Å; H151-F245 WeakPolarHBondContact O-CA 3.45Å; F245-Q247 HydrophobicContact CD1-CB 4.47Å; F245-Q247 HydrophobicContact CE1-CB 3.48Å; F245-Q247 VanDerWaalsContact CE1-CB 3.48Å; F245-Q247 HydrophobicContact CZ-CB 3.84Å; F245-P304 HydrophobicContact CB-CB 4Å; F245-P304 HydrophobicContact CB-CG 3.99Å; F245-P304 HydrophobicContact CD1-CB 3.37Å; F245-P304 HydrophobicContact CD1-CG 3.92Å; F245-P304 HydrophobicContact CD2-CB 3.92Å; F245-P304 HydrophobicContact CD2-CG 3.45Å; F245-P304 VanDerWaalsContact CD2-CG 3.45Å; F245-P304 HydrophobicContact CE1-CB 3.7Å; F245-P304 HydrophobicContact CE1-CG 4.23Å; F245-P304 HydrophobicContact CE2-CB 4.24Å; F245-P304 HydrophobicContact CE2-CG 3.85Å; F245-P304 HydrophobicContact CG-CB 3.48Å; F245-P304 VanDerWaalsContact CG-CB 3.48Å; F245-P304 HydrophobicContact CG-CG 3.51Å; F245-P304 HydrophobicContact CZ-CB 4.16Å; F245-P304 HydrophobicContact CZ-CG 4.23Å; F245-Y307 HydrophobicContact CE1-CE2 4.11Å; F245-Y307 HydrophobicContact CE2-CE2 4.37Å; F245-Y307 HydrophobicContact CZ-CD2 4.36Å; F245-Y307 AromaticContact CZ-CE2 3.6Å; F245-Y307 HydrophobicContact CZ-CE2 3.6Å
246R92.3Very high93.9Very high133 Ų13347 Ų4750%0.50226%0.261SS..EExtended strand (participates in β ladder)trans-124126.6173.4-176.1175.3174.1174.9-1.4110V150 H151 E244 E248V150-R246 CarbonylContact C-O 3.48Å; V150-R246 WeakPolarHBondContact CA-O 3.28Å; H151-R246 PolarHBondContact N-O 3.13Å; H151-R246 PolarHBondContact O-N 2.71Å; E244-R246 PolarHBondContact O-N 3.3Å; R246-E248 IonicContact CZ-OE2 2.72Å; R246-E248 IonicContact NH2-OE2 3.81Å; R246-E248 PolarHBondContact NH2-OE2 3.14Å
247Q94.9Very high93.8Very high2 Ų249.7 Ų49.71%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-124.3130.4171173.7177.6-62.700109Q149 V150 F245 V249 G262 Y307Q149-Q247 WeakPolarHBondContact O-CA 3.21Å; V150-Q247 HydrophobicContact CG2-CB 4.48Å; V150-Q247 HydrophobicContact CG2-CG 4.17Å; F245-Q247 HydrophobicContact CD1-CB 4.47Å; F245-Q247 HydrophobicContact CE1-CB 3.48Å; F245-Q247 VanDerWaalsContact CE1-CB 3.48Å; F245-Q247 HydrophobicContact CZ-CB 3.84Å; Q247-V249 HydrophobicContact CG-CG2 4.46Å; Q247-G262 PolarHBondContact O-N 3.26Å; Q247-Y307 PolarHBondContact OE1-OH 3.07Å; Q247-Y307 VanDerWaalsContact OE1-OH 3.14Å
248E96.9Very high93.8Very high28 Ų2849.8 Ų49.813%0.13127%0.268CS..EExtended strand (participates in β ladder)trans-133.6131.1175.9-169.2168.284.200109.1A148 Q149 R246 I250 M259 V260 T261A148-E248 CarbonylContact C-O 3.42Å; A148-E248 WeakPolarHBondContact CA-O 3.37Å; Q149-E248 PolarHBondContact N-O 3.42Å; Q149-E248 PolarHBondContact O-N 3.13Å; R246-E248 IonicContact CZ-OE2 2.72Å; R246-E248 IonicContact NH2-OE2 3.81Å; R246-E248 PolarHBondContact NH2-OE2 3.14Å; E248-I250 HydrophobicContact CG-CG1 4.29Å; E248-M259 HydrophobicContact CG-CG 4.19Å; E248-M259 HydrophobicContact CG-SD 4.35Å; E248-V260 CarbonylContact C-O 3.46Å; E248-V260 VanDerWaalsContact CA-O 3.27Å; E248-V260 WeakPolarHBondContact CA-O 3.5Å; E248-T261 PolarHBondContact OE2-OG1 3.32Å
249V98.4Very high93.9Very high4 Ų449.6 Ų49.62%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-130.6123.2176.1179.80000108.2F128 E147 A148 L183 L184 Q247 M259 V260F128-V249 HydrophobicContact CE1-CB 3.83Å; F128-V249 HydrophobicContact CE1-CG1 4.11Å; F128-V249 HydrophobicContact CE1-CG2 4.07Å; F128-V249 HydrophobicContact CZ-CB 4Å; F128-V249 HydrophobicContact CZ-CG2 3.76Å; E147-V249 CarbonylContact O-C 3.26Å; E147-V249 WeakPolarHBondContact O-CA 3.38Å; A148-V249 HydrophobicContact CB-CG2 4.15Å; L183-V249 HydrophobicContact CD2-CG2 4.23Å; L184-V249 HydrophobicContact CD2-CG1 4.36Å; Q247-V249 HydrophobicContact CG-CG2 4.46Å; V249-M259 CarbonylContact O-C 3.57Å; V249-M259 WeakPolarHBondContact O-CA 3.5Å; V249-V260 PolarHBondContact N-O 3.39Å; V249-V260 PolarHBondContact O-N 2.85Å
250I97.9Very high94Very high19 Ų1949.5 Ų49.510%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-116.5133.7-179.3-54.8172.4000108.3C146 E147 E248 V252 L258 M259C146-I250 CarbonylContact C-O 3.52Å; C146-I250 VanDerWaalsContact CA-O 3.29Å; C146-I250 WeakPolarHBondContact CA-O 3.37Å; E147-I250 HydrophobicContact CB-CB 4.36Å; E147-I250 PolarHBondContact N-O 2.77Å; E147-I250 PolarHBondContact O-N 2.86Å; E248-I250 HydrophobicContact CG-CG1 4.29Å; I250-V252 HydrophobicContact CG2-CG2 3.72Å; I250-L258 CarbonylContact C-O 3.58Å; I250-L258 WeakPolarHBondContact CA-O 3.29Å; I250-M259 HydrophobicContact CD1-SD 4.24Å; I250-M259 HydrophobicContact CG1-CB 4.21Å; I250-M259 HydrophobicContact CG1-CG 3.83Å; I250-M259 HydrophobicContact CG1-SD 4.18Å
251V98.1Very high94Very high2 Ų248.3 Ų48.31%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-120.4119.5171.9-1710000107.9V131 L135 I140 L143 R257 L258V131-V251 HydrophobicContact CG1-CG2 4.38Å; L135-V251 HydrophobicContact CD1-CG1 4.39Å; L135-V251 HydrophobicContact CD2-CG1 3.95Å; I140-V251 HydrophobicContact CD1-CB 4.5Å; I140-V251 HydrophobicContact CD1-CG1 3.61Å; L143-V251 HydrophobicContact CD1-CG1 3.3Å; V251-R257 CarbonylContact O-C 3.56Å; V251-R257 VanDerWaalsContact O-CA 3.22Å; V251-R257 WeakPolarHBondContact O-CA 3.43Å; V251-L258 PolarHBondContact N-O 3.26Å; V251-L258 PolarHBondContact O-N 3.48Å
252V97.8Very high93.9Very high45 Ų4547.1 Ų47.127%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-114.7132.8-176.1-173.50000109.6L144 V145 I250 R257L144-V252 PolarHBondContact N-O 3.37Å; V145-V252 HydrophobicContact CB-CB 4.34Å; V145-V252 PolarHBondContact N-O 3.12Å; V145-V252 VanDerWaalsContact N-O 3.12Å; V145-V252 PolarHBondContact O-N 3Å; I250-V252 HydrophobicContact CG2-CG2 3.72Å; V252-R257 HydrophobicContact CG2-CB 4.17Å
253G97.1Very high94.1Very high4 Ų442.6 Ų42.64%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-129.8-176.9174.100000112.7I140 E142 I255 G256I140-G253 CarbonylContact O-C 3.12Å; I140-G253 VanDerWaalsContact O-CA 3.31Å; I140-G253 WeakPolarHBondContact O-CA 3.49Å; E142-G253 CarbonylContact O-C 3.55Å; E142-G253 WeakPolarHBondContact O-CA 3.36Å; G253-I255 VanDerWaalsContact C-N 3.27Å; G253-I255 PolarHBondContact O-N 3.2Å; G253-G256 PolarHBondContact N-O 3.37Å
254T96.3Very high94.7Very high63 Ų6341 Ų4139%0.38721%0.205SC..THydrogen-bonded Turntrans-59-30.5-176.249.10000114.9I140 E142 L144 N270I140-T254 PolarHBondContact O-N 3.46Å; E142-T254 HydrophobicContact CB-CG2 3.89Å; E142-T254 PolarHBondContact N-OG1 3.25Å; E142-T254 PolarHBondContact O-N 2.8Å; L144-T254 HydrophobicContact CD1-CG2 4.02Å; L144-T254 HydrophobicContact CD2-CG2 4.08Å; L144-T254 HydrophobicContact CG-CG2 4.18Å; T254-N270 PolarHBondContact O-ND2 2.96Å
255I95.2Very high95.4Very high88 Ų8832.3 Ų32.345%0.45116%0.164SC..THydrogen-bonded Turntrans-123.67.1-174.563.6167.9000114I140 G141 G253 N270I140-I255 WeakPolarHBondContact O-CG1 3.26Å; I140-I255 PolarHBondContact O-N 2.84Å; G141-I255 VanDerWaalsContact N-CG1 3.34Å; G253-I255 VanDerWaalsContact C-N 3.27Å; G253-I255 PolarHBondContact O-N 3.2Å; I255-N270 WeakPolarHBondContact CA-ND2 3.31Å; I255-N270 PolarHBondContact O-N 3.28Å
256G94.8Very high95.7Very high1 Ų133 Ų331%0.0117%0.166CC..EExtended strand (participates in β ladder)trans173.4-172.5176.700000114.4G253 Q268G253-G256 PolarHBondContact N-O 3.37Å; G256-Q268 CarbonylContact C-O 3.59Å; G256-Q268 WeakPolarHBondContact CA-O 3.33Å
257R96.4Very high95.9Very high87 Ų8726.8 Ų26.833%0.32814%0.143SC..EExtended strand (participates in β ladder)trans-141.1154.4174.965.4175.3-178.7164.62.6112.3V251 V252 G267 Q268V251-R257 CarbonylContact O-C 3.56Å; V251-R257 VanDerWaalsContact O-CA 3.22Å; V251-R257 WeakPolarHBondContact O-CA 3.43Å; V252-R257 HydrophobicContact CG2-CB 4.17Å; R257-G267 WeakPolarHBondContact O-CA 3.05Å; R257-Q268 HydrophobicContact CG-CB 3.99Å; R257-Q268 VanDerWaalsContact CZ-OE1 3.27Å; R257-Q268 PolarHBondContact N-O 3.26Å; R257-Q268 PolarHBondContact O-N 3.18Å
258L98.1Very high95.9Very high2 Ų229.1 Ų29.11%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-119.9142.1168.2-64.6168.8000108.5V131 L134 L135 Y139 I140 I250 V251 L265 Y266 L283V131-L258 HydrophobicContact CG1-CD1 4.08Å; L134-L258 HydrophobicContact CB-CD1 3.73Å; L134-L258 HydrophobicContact CD1-CD1 4.2Å; L134-L258 HydrophobicContact CD1-CD2 3.73Å; L135-L258 HydrophobicContact CD2-CD1 4.18Å; L135-L258 HydrophobicContact CG-CD1 4.46Å; Y139-L258 HydrophobicContact CD1-CD1 4.47Å; Y139-L258 HydrophobicContact CD1-CD2 3.71Å; Y139-L258 HydrophobicContact CD1-CG 4.05Å; Y139-L258 HydrophobicContact CE1-CD2 3.68Å; Y139-L258 HydrophobicContact CE1-CG 4.33Å; Y139-L258 HydrophobicContact CG-CD2 4.44Å; I140-L258 HydrophobicContact CG2-CD1 4.23Å; I140-L258 HydrophobicContact CG2-CG 3.95Å; I250-L258 CarbonylContact C-O 3.58Å; I250-L258 WeakPolarHBondContact CA-O 3.29Å; V251-L258 PolarHBondContact N-O 3.26Å; V251-L258 PolarHBondContact O-N 3.48Å; L258-L265 HydrophobicContact CB-CD1 4.34Å; L258-L265 HydrophobicContact CD2-CD1 4.38Å; L258-Y266 CarbonylContact C-O 3.07Å; L258-Y266 WeakPolarHBondContact CA-O 3.48Å; L258-L283 HydrophobicContact CD2-CD1 3.82Å
259M97.6Very high95.5Very high31 Ų3133.8 Ų33.815%0.15317%0.174CC..EExtended strand (participates in β ladder)trans-138.6125.3-179.9176.7174.781.800109.8E248 V249 I250 Y266E248-M259 HydrophobicContact CG-CG 4.19Å; E248-M259 HydrophobicContact CG-SD 4.35Å; V249-M259 CarbonylContact O-C 3.57Å; V249-M259 WeakPolarHBondContact O-CA 3.5Å; I250-M259 HydrophobicContact CD1-SD 4.24Å; I250-M259 HydrophobicContact CG1-CB 4.21Å; I250-M259 HydrophobicContact CG1-CG 3.83Å; I250-M259 HydrophobicContact CG1-SD 4.18Å; M259-Y266 HydrophobicContact CE-CD2 4.12Å; M259-Y266 HydrophobicContact CE-CG 4.29Å; M259-Y266 PolarHBondContact N-O 3.39Å; M259-Y266 PolarHBondContact O-N 2.98Å
260V97.4Very high94.9Very high2 Ų238.5 Ų38.51%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-106121.6171.2178.90000108.5A127 F128 V131 E248 V249 D264 L265A127-V260 HydrophobicContact CB-CG1 3.84Å; A127-V260 HydrophobicContact CB-CG2 4.06Å; F128-V260 HydrophobicContact CD1-CB 4.34Å; F128-V260 HydrophobicContact CD1-CG2 3.88Å; F128-V260 HydrophobicContact CE1-CB 3.61Å; F128-V260 HydrophobicContact CE1-CG1 3.87Å; F128-V260 HydrophobicContact CE1-CG2 3.61Å; F128-V260 HydrophobicContact CE2-CG1 4.26Å; F128-V260 HydrophobicContact CZ-CB 3.89Å; F128-V260 HydrophobicContact CZ-CG1 3.71Å; F128-V260 HydrophobicContact CZ-CG2 4.33Å; V131-V260 HydrophobicContact CG2-CG2 3.62Å; E248-V260 CarbonylContact C-O 3.46Å; E248-V260 VanDerWaalsContact CA-O 3.27Å; E248-V260 WeakPolarHBondContact CA-O 3.5Å; V249-V260 PolarHBondContact N-O 3.39Å; V249-V260 PolarHBondContact O-N 2.85Å; V260-D264 VanDerWaalsContact CA-O 3.29Å; V260-D264 WeakPolarHBondContact CA-O 3.45Å; V260-L265 HydrophobicContact CG2-CB 4.46Å; V260-L265 HydrophobicContact CG2-CD1 3.73Å
261T93.8Very high93.5Very high40 Ų4041.3 Ų41.325%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-120113.7174.4-540000108.2E248 T263 D264E248-T261 PolarHBondContact OE2-OG1 3.32Å; T261-T263 PolarHBondContact O-N 3.39Å; T261-T263 VanDerWaalsContact O-N 3.12Å; T261-D264 PolarHBondContact N-O 2.82Å; T261-D264 PolarHBondContact O-N 3.25Å
262G88.6Confident91.4Very high23 Ų2344.5 Ų44.524%0.23725%0.254CS..THydrogen-bonded Turntrans63.2-110.1-170.300000111.3Q247 P306Q247-G262 PolarHBondContact O-N 3.26Å; G262-P306 WeakPolarHBondContact O-CG 3.37Å
263T90.8Very high89.1Confident24 Ų2446.8 Ų46.815%0.14729%0.287CS..THydrogen-bonded Turntrans-108.9-5.1-179.951.70000113.3L125 A127 T261 P306L125-T263 HydrophobicContact CD1-CG2 4.15Å; A127-T263 WeakPolarHBondContact CB-O 3.35Å; T261-T263 PolarHBondContact O-N 3.39Å; T261-T263 VanDerWaalsContact O-N 3.12Å; T263-P306 HydrophobicContact CG2-CG 4.38Å
264D93.7Very high86.5Confident32 Ų3249.8 Ų49.817%0.17132%0.317CS..EExtended strand (participates in β ladder)trans-99.9142.7-173.7-68-16.2000111.1V260 T261 Y266 L282 D286V260-D264 VanDerWaalsContact CA-O 3.29Å; V260-D264 WeakPolarHBondContact CA-O 3.45Å; T261-D264 PolarHBondContact N-O 2.82Å; T261-D264 PolarHBondContact O-N 3.25Å; D264-Y266 HydrophobicContact CB-CE2 3.74Å; D264-L282 HydrophobicContact CB-CD1 4.12Å; D264-D286 PolarHBondContact OD1-N 3.38Å; D264-D286 VanDerWaalsContact OD1-N 3.13Å
265L96.9Very high84.1Confident0 Ų051.4 Ų51.40%034%0.337CS..EExtended strand (participates in β ladder)trans-110.7129.4178.9172.860.8000110.8A127 R130 V131 L134 L258 V260 L283 L284A127-L265 HydrophobicContact CB-CB 4.15Å; R130-L265 HydrophobicContact CB-CD2 3.83Å; R130-L265 HydrophobicContact CG-CD2 3.64Å; V131-L265 HydrophobicContact CG2-CD1 3.44Å; V131-L265 VanDerWaalsContact CG2-CD1 3.44Å; V131-L265 HydrophobicContact CG2-CD2 4.19Å; V131-L265 HydrophobicContact CG2-CG 4.43Å; L134-L265 HydrophobicContact CD1-CD2 3.97Å; L258-L265 HydrophobicContact CB-CD1 4.34Å; L258-L265 HydrophobicContact CD2-CD1 4.38Å; V260-L265 HydrophobicContact CG2-CB 4.46Å; V260-L265 HydrophobicContact CG2-CD1 3.73Å; L265-L283 HydrophobicContact CD2-CB 4.26Å; L265-L283 HydrophobicContact CG-CB 4.15Å; L265-L283 HydrophobicContact CG-CD1 4.48Å; L265-L283 PolarHBondContact O-N 3.19Å; L265-L284 HydrophobicContact CB-CB 4.01Å; L265-L284 HydrophobicContact CD2-CB 4.47Å; L265-L284 PolarHBondContact N-O 2.75Å; L265-L284 PolarHBondContact O-N 2.69Å
266Y96.8Very high81.8Confident63 Ų6352.9 Ų52.925%0.24736%0.355CS..EExtended strand (participates in β ladder)trans-117.3146.6174.4-57.8-93.7000110.7L258 M259 D264 P280 E281 L282L258-Y266 CarbonylContact C-O 3.07Å; L258-Y266 WeakPolarHBondContact CA-O 3.48Å; M259-Y266 HydrophobicContact CE-CD2 4.12Å; M259-Y266 HydrophobicContact CE-CG 4.29Å; M259-Y266 PolarHBondContact N-O 3.39Å; M259-Y266 PolarHBondContact O-N 2.98Å; D264-Y266 HydrophobicContact CB-CE2 3.74Å; Y266-P280 HydrophobicContact CD1-CB 4.48Å; Y266-E281 CarbonylContact C-O 3.56Å; Y266-E281 WeakPolarHBondContact CA-O 3.44Å; Y266-L282 HydrophobicContact CD1-CB 4.21Å; Y266-L282 HydrophobicContact CD1-CD1 4.12Å; Y266-L282 HydrophobicContact CE1-CB 4.05Å; Y266-L282 HydrophobicContact CE1-CD1 3.62Å; Y266-L282 HydrophobicContact CE1-CG 4.41Å; Y266-L282 HydrophobicContact CE2-CD1 4.26Å
267G95.8Very high79.9Confident2 Ų255 Ų552%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-131.3152.2175.200000112R257 E281R257-G267 WeakPolarHBondContact O-CA 3.05Å; G267-E281 PolarHBondContact N-O 2.9Å; G267-E281 PolarHBondContact O-N 3.07Å
268Q94.6Very high78.1Confident52 Ų5253.4 Ų53.424%0.24339%0.388CS..EExtended strand (participates in β ladder)trans-150.8123.9174.9-170.6177.39.900109.9Y139 G256 R257 G278Y139-Q268 PolarHBondContact OH-N 3.17Å; G256-Q268 CarbonylContact C-O 3.59Å; G256-Q268 WeakPolarHBondContact CA-O 3.33Å; R257-Q268 HydrophobicContact CG-CB 3.99Å; R257-Q268 VanDerWaalsContact CZ-OE1 3.27Å; R257-Q268 PolarHBondContact N-O 3.26Å; R257-Q268 PolarHBondContact O-N 3.18Å; Q268-G278 PolarHBondContact NE2-O 2.92Å
269K90.4Very high77Confident126 Ų12655.9 Ų55.955%0.54841%0.414SS..EExtended strand (participates in β ladder)trans-89.9150.6172-67.2-172176.7-176.40110.9Y139 S271Y139-K269 HydrophobicContact CE1-CG 4.18Å; Y139-K269 HydrophobicContact CE2-CG 4.38Å; K269-S271 PolarHBondContact O-N 3.39Å; K269-S271 VanDerWaalsContact O-N 3.13Å
270N84.8Confident76.4Confident102 Ų10257.6 Ų57.655%0.54543%0.427SS..  trans-68.8108.2171-67.8-14000107.8T254 I255 G272T254-N270 PolarHBondContact O-ND2 2.96Å; I255-N270 WeakPolarHBondContact CA-ND2 3.31Å; I255-N270 PolarHBondContact O-N 3.28Å; N270-G272 PolarHBondContact O-N 3.39Å; N270-G272 VanDerWaalsContact O-N 3.14Å
271S68.2Low76.2Confident79 Ų7963.4 Ų63.455%0.55245%0.454SS*.  trans-60.6117.8175.720.90000109.9K269 G273 G277K269-S271 PolarHBondContact O-N 3.39Å; K269-S271 VanDerWaalsContact O-N 3.13Å; S271-G273 PolarHBondContact O-N 2.84Å; S271-G277 WeakPolarHBondContact OG-CA 3.1Å
272G53.8Low76.2Confident69 Ų6965.2 Ų65.271%0.71146%0.462SS*.  trans-55.6132.8167.800000109.2N270 G274N270-G272 PolarHBondContact O-N 3.39Å; N270-G272 VanDerWaalsContact O-N 3.14Å; G272-G274 PolarHBondContact O-N 3.44Å; G272-G274 VanDerWaalsContact O-N 3.17Å
273G49.2Very low76.4Confident93 Ų9366.8 Ų66.896%0.95947%0.465SS*.SBendtrans-44.5117-16400000114.8S271S271-G273 PolarHBondContact O-N 2.84Å
274G42.7Very low76.5Confident66 Ų6667.8 Ų67.868%0.6847%0.469SS*.SBendtrans147.690.2172.900000113.1G272G272-G274 PolarHBondContact O-N 3.44Å; G272-G274 VanDerWaalsContact O-N 3.17Å
275A46Very low76.3Confident97 Ų9772.7 Ų72.780%0.80249%0.489SS*.SBendtrans53.6120.116000000119
276S48.2Very low75.5Confident119 Ų11974.1 Ų74.183%0.83250%0.496SS*.  trans64.369.5175.7630000116.2G278S276-G278 PolarHBondContact O-N 3.49Å
277G53.6Low74.3Confident45 Ų4576.5 Ų76.546%0.46452%0.518SS..  trans-61.6108.416200000109.4S271S271-G277 WeakPolarHBondContact OG-CA 3.1Å
278G59.7Low72.8Confident55 Ų5578 Ų7857%0.56753%0.527SS*.  trans-52.7141.9177.200000111Q268 S276Q268-G278 PolarHBondContact NE2-O 2.92Å; S276-G278 PolarHBondContact O-N 3.49Å
279G74.8Confident71Confident54 Ų5478.8 Ų78.856%0.55754%0.536SS*.  trans-59176.2170.800000112E281G279-E281 PolarHBondContact O-N 3.46Å
280P84.8Confident69.5Low67 Ų6774.8 Ų74.844%0.43552%0.52SS..  trans-54.5125.9176.923.5-32.9000110.8Y266Y266-P280 HydrophobicContact CD1-CB 4.48Å
281E92.1Very high67.8Low124 Ų12478.6 Ų78.658%0.57954%0.535SS*.EExtended strand (participates in β ladder)trans-88.8134.8176.4-177.6-179.2-17600109.4Y266 G267 G279 L283Y266-E281 CarbonylContact C-O 3.56Å; Y266-E281 WeakPolarHBondContact CA-O 3.44Å; G267-E281 PolarHBondContact N-O 2.9Å; G267-E281 PolarHBondContact O-N 3.07Å; G279-E281 PolarHBondContact O-N 3.46Å; E281-L283 HydrophobicContact CB-CD2 4.47Å; E281-L283 HydrophobicContact CG-CD2 4.19Å; E281-L283 PolarHBondContact O-N 3.06Å
282L94.1Very high66.7Low77 Ų7783.1 Ų83.140%0.40355%0.545SS..EExtended strand (participates in β ladder)trans-74.8107.4173.1-179.666.9000109.3D264 Y266 L284 K285D264-L282 HydrophobicContact CB-CD1 4.12Å; Y266-L282 HydrophobicContact CD1-CB 4.21Å; Y266-L282 HydrophobicContact CD1-CD1 4.12Å; Y266-L282 HydrophobicContact CE1-CB 4.05Å; Y266-L282 HydrophobicContact CE1-CD1 3.62Å; Y266-L282 HydrophobicContact CE1-CG 4.41Å; Y266-L282 HydrophobicContact CE2-CD1 4.26Å; L282-L284 WeakPolarHBondContact CD1-O 2.86Å; L282-K285 HydrophobicContact CD1-CB 4.49Å; L282-K285 HydrophobicContact CD2-CB 4.03Å; L282-K285 HydrophobicContact CD2-CD 4.28Å; L282-K285 HydrophobicContact CD2-CG 4.47Å; L282-K285 HydrophobicContact CG-CB 4.48Å
283L93.4Very high66.7Low57 Ų5780.5 Ų80.530%0.29852%0.516SS..EExtended strand (participates in β ladder)trans-88.7-32.5-178.9-59.7-177.3000112.5L134 Y139 L258 L265 E281L134-L283 HydrophobicContact CD1-CD1 3.74Å; Y139-L283 HydrophobicContact CE2-CD1 4.43Å; L258-L283 HydrophobicContact CD2-CD1 3.82Å; L265-L283 HydrophobicContact CD2-CB 4.26Å; L265-L283 HydrophobicContact CG-CB 4.15Å; L265-L283 HydrophobicContact CG-CD1 4.48Å; L265-L283 PolarHBondContact O-N 3.19Å; E281-L283 HydrophobicContact CB-CD2 4.47Å; E281-L283 HydrophobicContact CG-CD2 4.19Å; E281-L283 PolarHBondContact O-N 3.06Å
284L92.8Very high67Low44 Ų4480.6 Ų80.623%0.2350%0.502CS..EExtended strand (participates in β ladder)trans-146.2127.4175.9-176.1154.3000109.4P126 R130 L265 L282P126-L284 HydrophobicContact CB-CD1 4.28Å; P126-L284 HydrophobicContact CB-CD2 4.42Å; R130-L284 HydrophobicContact CB-CD1 4.16Å; L265-L284 HydrophobicContact CB-CB 4.01Å; L265-L284 HydrophobicContact CD2-CB 4.47Å; L265-L284 PolarHBondContact N-O 2.75Å; L265-L284 PolarHBondContact O-N 2.69Å; L282-L284 WeakPolarHBondContact CD1-O 2.86Å
285K89.8Confident68Low136 Ų13678.3 Ų78.359%0.59147%0.474SS*.  trans-107.3125.7168.1-168172.2-174.6171.20108.7L282 T287L282-K285 HydrophobicContact CD1-CB 4.49Å; L282-K285 HydrophobicContact CD2-CB 4.03Å; L282-K285 HydrophobicContact CD2-CD 4.28Å; L282-K285 HydrophobicContact CD2-CG 4.47Å; L282-K285 HydrophobicContact CG-CB 4.48Å; K285-T287 PolarHBondContact O-N 3.04Å
286D79.6Confident68.7Low29 Ų2976.3 Ų76.316%0.15545%0.453CS..  trans-78.8108.5176.1-162.2-13.6000109.9D264 T288 T309D264-D286 PolarHBondContact OD1-N 3.38Å; D264-D286 VanDerWaalsContact OD1-N 3.13Å; D286-T288 WeakPolarHBondContact OD1-CB 3.35Å; D286-T288 PolarHBondContact OD1-N 2.98Å; D286-T288 PolarHBondContact OD1-OG1 3.49Å; D286-T309 WeakPolarHBondContact OD2-CG2 3.25Å
287T71.4Confident69.2Low114 Ų11479.1 Ų79.170%0.69945%0.453SS*.  trans-99.513175.863.30000112.2K285 P289K285-T287 PolarHBondContact O-N 3.04Å; T287-P289 WeakPolarHBondContact O-CD 3.43Å; T287-P289 VanDerWaalsContact O-N 3.1Å
288T64.8Low69.4Low34 Ų3484.4 Ų84.421%0.20946%0.463CS..  trans-59.2114.7-179.1-54.80000109.1D286 L290 R313D286-T288 WeakPolarHBondContact OD1-CB 3.35Å; D286-T288 PolarHBondContact OD1-N 2.98Å; D286-T288 PolarHBondContact OD1-OG1 3.49Å; T288-L290 PolarHBondContact O-N 3.48Å; T288-R313 PolarHBondContact OG1-NH2 2.83Å
289P55.8Low69.3Low68 Ų6882 Ų8244%0.44244%0.438SS..  trans-70.2103.8-178.7-14.228.9000109T287 E291 K292T287-P289 WeakPolarHBondContact O-CD 3.43Å; T287-P289 VanDerWaalsContact O-N 3.1Å; P289-E291 PolarHBondContact O-N 2.97Å; P289-K292 HydrophobicContact CB-CD 4.4Å; P289-K292 HydrophobicContact CB-CG 4.28Å; P289-K292 HydrophobicContact CG-CD 4.39Å; P289-K292 PolarHBondContact O-N 2.9Å
290L60.8Low68.3Low41 Ų4183.1 Ų83.122%0.21543%0.428CS..G310 helixtrans-59.8-25.1174.3-79172000111.8T288 K292 A293 F300 L308 I312T288-L290 PolarHBondContact O-N 3.48Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 PolarHBondContact O-N 2.85Å; L290-A293 PolarHBondContact O-N 3.39Å; L290-F300 HydrophobicContact CB-CD1 4.28Å; L290-F300 HydrophobicContact CB-CE1 3.74Å; L290-F300 HydrophobicContact CD2-CE1 4.41Å; L290-F300 WeakPolarHBondContact O-CE1 3.12Å; L290-F300 VanDerWaalsContact O-CZ 3.28Å; L290-F300 WeakPolarHBondContact O-CZ 3.48Å; L290-L308 HydrophobicContact CD2-CD2 3.94Å; L290-L308 HydrophobicContact CD2-CG 4.11Å; L290-I312 HydrophobicContact CD2-CD1 4.05Å
291E47.9Very low67.2Low183 Ų18384 Ų8486%0.85544%0.436SS*.G310 helixtrans-65.2-20.4177.1-64.3177.8173.200114.9P289 A293P289-E291 PolarHBondContact O-N 2.97Å; E291-A293 VanDerWaalsContact C-N 3.35Å
292K44.9Very low66.1Low174 Ų17482.4 Ų82.476%0.75743%0.431SS*.G310 helixtrans-80.5-16.3-179.4-79.5-176.1178.5-179.50113.7P289 L290 S294P289-K292 HydrophobicContact CB-CD 4.4Å; P289-K292 HydrophobicContact CB-CG 4.28Å; P289-K292 HydrophobicContact CG-CD 4.39Å; P289-K292 PolarHBondContact O-N 2.9Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 PolarHBondContact O-N 2.85Å; K292-S294 PolarHBondContact O-N 3.4Å
293A53.3Low65.4Low14 Ų1480.4 Ų80.412%0.11642%0.42CS..SBendtrans-82.1111.2167.300000105.9L20 L290 E291 L295 I312L20-A293 HydrophobicContact CD2-CB 3.8Å; L290-A293 PolarHBondContact O-N 3.39Å; E291-A293 VanDerWaalsContact C-N 3.35Å; A293-L295 HydrophobicContact CB-CD1 3.67Å; A293-L295 HydrophobicContact CB-CG 3.71Å; A293-L295 PolarHBondContact O-N 3.47Å; A293-I312 HydrophobicContact CB-CD1 4.39Å
294S56.7Low65.1Low95 Ų9579.4 Ų79.466%0.66442%0.418SS*.  trans-61.965.7174.9-51.70000111.2N23 K292N23-S294 PolarHBondContact ND2-N 2.79Å; K292-S294 PolarHBondContact O-N 3.4Å
295L64.1Low64.8Low18 Ų1879.7 Ų79.79%0.09442%0.423CS..  trans-98146.3-175.4-71.6172.8000108.7V16 P19 L20 A293 E297 A299 F300 L308V16-L295 HydrophobicContact CG1-CD2 4.05Å; P19-L295 HydrophobicContact CB-CD2 4.18Å; L20-L295 HydrophobicContact CD2-CD1 4.12Å; L20-L295 HydrophobicContact CD2-CD2 3.93Å; L20-L295 HydrophobicContact CD2-CG 4.22Å; L20-L295 HydrophobicContact CG-CD2 4Å; A293-L295 HydrophobicContact CB-CD1 3.67Å; A293-L295 HydrophobicContact CB-CG 3.71Å; A293-L295 PolarHBondContact O-N 3.47Å; L295-E297 PolarHBondContact O-N 3.08Å; L295-A299 HydrophobicContact CB-CB 4.12Å; L295-F300 HydrophobicContact CB-CE2 3.75Å; L295-F300 HydrophobicContact CB-CZ 3.7Å; L295-F300 HydrophobicContact CD1-CE1 3.94Å; L295-F300 HydrophobicContact CD1-CZ 3.82Å; L295-F300 HydrophobicContact CG-CZ 4.3Å; L295-L308 HydrophobicContact CD1-CD1 3.97Å; L295-L308 HydrophobicContact CD1-CD2 4.15Å
296P60.9Low64.8Low55 Ų5573.4 Ų73.436%0.35740%0.396SS..  trans-56.1140.5170.2-19.230.2000110.1K298 A299P296-K298 PolarHBondContact O-N 3.01Å; P296-A299 WeakPolarHBondContact O-CB 3.22Å; P296-A299 PolarHBondContact O-N 2.9Å
297E57Low65.4Low178 Ų17873.2 Ų73.283%0.83239%0.393SS*.Hα-helixtrans-50.5-34.6177.9-72.6-179.2166.100112.7L295 A299 F300L295-E297 PolarHBondContact O-N 3.08Å; E297-A299 VanDerWaalsContact C-N 3.26Å; E297-A299 PolarHBondContact O-N 3.49Å; E297-F300 PolarHBondContact O-N 2.83Å
298K58.1Low66.3Low155 Ų15567.8 Ų67.867%0.67436%0.36SS*.Hα-helixtrans-63.6-24.4176.4-66.9-175179.4176.60114.6P296 F300 S301 D302P296-K298 PolarHBondContact O-N 3.01Å; K298-F300 PolarHBondContact O-N 3.2Å; K298-S301 WeakPolarHBondContact CA-OG 3.37Å; K298-S301 PolarHBondContact O-N 3.03Å; K298-S301 PolarHBondContact O-OG 2.88Å; K298-D302 WeakPolarHBondContact O-CB 3.4Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.08Å; K298-D302 VanDerWaalsContact O-N 3.14Å
299A57.6Low67.5Low5 Ų566.3 Ų66.34%0.04135%0.351CS..Hα-helixtrans-63.9-34.7175.700000111.4V16 L295 P296 E297 I303V16-A299 HydrophobicContact CG2-CB 3.58Å; L295-A299 HydrophobicContact CB-CB 4.12Å; P296-A299 WeakPolarHBondContact O-CB 3.22Å; P296-A299 PolarHBondContact O-N 2.9Å; E297-A299 VanDerWaalsContact C-N 3.26Å; E297-A299 PolarHBondContact O-N 3.49Å; A299-I303 PolarHBondContact O-N 3.49Å
300F54.9Low69.3Low78 Ų7863.1 Ų63.134%0.34233%0.33SS..Hα-helixtrans-79-22.1179.2-57.2-71.8000113L290 L295 E297 K298 L308L290-F300 HydrophobicContact CB-CD1 4.28Å; L290-F300 HydrophobicContact CB-CE1 3.74Å; L290-F300 HydrophobicContact CD2-CE1 4.41Å; L290-F300 WeakPolarHBondContact O-CE1 3.12Å; L290-F300 VanDerWaalsContact O-CZ 3.28Å; L290-F300 WeakPolarHBondContact O-CZ 3.48Å; L295-F300 HydrophobicContact CB-CE2 3.75Å; L295-F300 HydrophobicContact CB-CZ 3.7Å; L295-F300 HydrophobicContact CD1-CE1 3.94Å; L295-F300 HydrophobicContact CD1-CZ 3.82Å; L295-F300 HydrophobicContact CG-CZ 4.3Å; E297-F300 PolarHBondContact O-N 2.83Å; K298-F300 PolarHBondContact O-N 3.2Å; F300-L308 HydrophobicContact CD1-CD2 3.64Å; F300-L308 HydrophobicContact CE1-CD2 3.77Å
301S61Low70.8Confident85 Ų8562 Ų6259%0.59433%0.326SS*.Hα-helixtrans-83.2-31.5174.564.30000113.3K298K298-S301 WeakPolarHBondContact CA-OG 3.37Å; K298-S301 PolarHBondContact O-N 3.03Å; K298-S301 PolarHBondContact O-OG 2.88Å
302D68.8Low73Confident90 Ų9054.2 Ų54.248%0.48129%0.289SS..Hα-helixtrans-104.3-22.1-165.6-62.3-7.8000113.6K298K298-D302 WeakPolarHBondContact O-CB 3.4Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.08Å; K298-D302 VanDerWaalsContact O-N 3.14Å
303I80.5Confident75.3Confident35 Ų3549.8 Ų49.818%0.17927%0.268CS..SBendtrans-111124.2175.6-56.7-175.2000109.5V16 A299 S305 L308V16-I303 HydrophobicContact CB-CD1 4.06Å; V16-I303 HydrophobicContact CG1-CD1 4.13Å; V16-I303 HydrophobicContact CG2-CD1 3.67Å; A299-I303 PolarHBondContact O-N 3.49Å; I303-S305 PolarHBondContact O-N 3.12Å; I303-L308 HydrophobicContact CG2-CB 4.05Å
304P86.6Confident77.3Confident37 Ų3749.5 Ų49.524%0.2426%0.264CS..  trans-61139.6178.1-2231.8000113.1F245 P306 Y307 L308F245-P304 HydrophobicContact CB-CB 4Å; F245-P304 HydrophobicContact CB-CG 3.99Å; F245-P304 HydrophobicContact CD1-CB 3.37Å; F245-P304 HydrophobicContact CD1-CG 3.92Å; F245-P304 HydrophobicContact CD2-CB 3.92Å; F245-P304 HydrophobicContact CD2-CG 3.45Å; F245-P304 VanDerWaalsContact CD2-CG 3.45Å; F245-P304 HydrophobicContact CE1-CB 3.7Å; F245-P304 HydrophobicContact CE1-CG 4.23Å; F245-P304 HydrophobicContact CE2-CB 4.24Å; F245-P304 HydrophobicContact CE2-CG 3.85Å; F245-P304 HydrophobicContact CG-CB 3.48Å; F245-P304 VanDerWaalsContact CG-CB 3.48Å; F245-P304 HydrophobicContact CG-CG 3.51Å; F245-P304 HydrophobicContact CZ-CB 4.16Å; F245-P304 HydrophobicContact CZ-CG 4.23Å; P304-P306 VanDerWaalsContact C-CD 3.42Å; P304-P306 VanDerWaalsContact O-N 3.15Å; P304-Y307 HydrophobicContact CB-CD2 4.04Å; P304-Y307 HydrophobicContact CG-CD2 4.38Å; P304-Y307 PolarHBondContact O-N 3.27Å; P304-L308 PolarHBondContact O-N 3.11Å; P304-L308 VanDerWaalsContact O-N 3.1Å
305S86.3Confident79.2Confident49 Ų4945.4 Ų45.434%0.34324%0.235SC..Hα-helixtrans-47.6-43.4-175.7176.20000115.2I303 Y307 L308 T309I303-S305 PolarHBondContact O-N 3.12Å; S305-Y307 VanDerWaalsContact C-N 3.32Å; S305-Y307 PolarHBondContact O-N 2.64Å; S305-L308 PolarHBondContact O-N 3Å; S305-T309 VanDerWaalsContact O-CB 3.32Å; S305-T309 WeakPolarHBondContact O-CB 3.33Å; S305-T309 PolarHBondContact O-N 2.91Å; S305-T309 PolarHBondContact O-OG1 3.13Å
306P90.5Very high80.7Confident5 Ų546.9 Ų46.93%0.03224%0.241CC..Hα-helixtrans-61-38.5178.5-23.834.7000113.3L122 L125 G262 T263 P304 G310L122-P306 HydrophobicContact CD2-CB 4.33Å; L125-P306 HydrophobicContact CD2-CB 4.17Å; G262-P306 WeakPolarHBondContact O-CG 3.37Å; T263-P306 HydrophobicContact CG2-CG 4.38Å; P304-P306 VanDerWaalsContact C-CD 3.42Å; P304-P306 VanDerWaalsContact O-N 3.15Å; P306-G310 PolarHBondContact O-N 2.99Å
307Y91.3Very high82.3Confident24 Ų2444.7 Ų44.79%0.09423%0.228CC..Hα-helixtrans-75.1-40.5-179.5-67.4-101.9000111V121 L122 Y179 F245 Q247 P304 S305 G310 T311V121-Y307 HydrophobicContact CG2-CD1 4Å; L122-Y307 HydrophobicContact CD1-CE1 4.23Å; L122-Y307 HydrophobicContact CD2-CD1 4.3Å; L122-Y307 HydrophobicContact CD2-CD2 4.33Å; L122-Y307 HydrophobicContact CD2-CE1 4.18Å; L122-Y307 HydrophobicContact CD2-CE2 4.17Å; L122-Y307 HydrophobicContact CD2-CG 4.37Å; L122-Y307 HydrophobicContact CG-CE1 4.16Å; Y179-Y307 AromaticContact CD2-CE1 3.86Å; Y179-Y307 HydrophobicContact CD2-CE1 3.86Å; Y179-Y307 HydrophobicContact CE2-CE1 4.22Å; Y179-Y307 HydrophobicContact CG-CE1 4.17Å; F245-Y307 HydrophobicContact CE1-CE2 4.11Å; F245-Y307 HydrophobicContact CE2-CE2 4.37Å; F245-Y307 HydrophobicContact CZ-CD2 4.36Å; F245-Y307 AromaticContact CZ-CE2 3.6Å; F245-Y307 HydrophobicContact CZ-CE2 3.6Å; Q247-Y307 PolarHBondContact OE1-OH 3.07Å; Q247-Y307 VanDerWaalsContact OE1-OH 3.14Å; P304-Y307 HydrophobicContact CB-CD2 4.04Å; P304-Y307 HydrophobicContact CG-CD2 4.38Å; P304-Y307 PolarHBondContact O-N 3.27Å; S305-Y307 VanDerWaalsContact C-N 3.32Å; S305-Y307 PolarHBondContact O-N 2.64Å; Y307-G310 PolarHBondContact O-N 3.25Å; Y307-T311 WeakPolarHBondContact O-CB 3.17Å; Y307-T311 PolarHBondContact O-N 3.47Å; Y307-T311 PolarHBondContact O-OG1 2.95Å
308L89.7Confident84.2Confident1 Ų136.3 Ų36.31%0.00519%0.189CC..Hα-helixtrans-63.3-47.4176.3-17858.2000111.1V16 L20 L290 L295 F300 I303 P304 S305 T311 I312V16-L308 HydrophobicContact CG1-CD1 3.71Å; L20-L308 HydrophobicContact CD1-CD1 4.41Å; L290-L308 HydrophobicContact CD2-CD2 3.94Å; L290-L308 HydrophobicContact CD2-CG 4.11Å; L295-L308 HydrophobicContact CD1-CD1 3.97Å; L295-L308 HydrophobicContact CD1-CD2 4.15Å; F300-L308 HydrophobicContact CD1-CD2 3.64Å; F300-L308 HydrophobicContact CE1-CD2 3.77Å; I303-L308 HydrophobicContact CG2-CB 4.05Å; P304-L308 PolarHBondContact O-N 3.11Å; P304-L308 VanDerWaalsContact O-N 3.1Å; S305-L308 PolarHBondContact O-N 3Å; L308-T311 WeakPolarHBondContact O-CB 3.43Å; L308-T311 PolarHBondContact O-N 3.29Å; L308-T311 VanDerWaalsContact O-N 3.14Å; L308-I312 HydrophobicContact CG-CD1 4.35Å; L308-I312 WeakPolarHBondContact O-CG1 3.37Å; L308-I312 PolarHBondContact O-N 3.14Å
309T90.6Very high86Confident3 Ų332.9 Ų32.92%0.01817%0.172CC..Hα-helixtrans-60.2-48.3177-57.70000111L125 D286 S305 T311 I312 R313L125-T309 HydrophobicContact CD1-CG2 3.83Å; D286-T309 WeakPolarHBondContact OD2-CG2 3.25Å; S305-T309 VanDerWaalsContact O-CB 3.32Å; S305-T309 WeakPolarHBondContact O-CB 3.33Å; S305-T309 PolarHBondContact O-N 2.91Å; S305-T309 PolarHBondContact O-OG1 3.13Å; T309-T311 VanDerWaalsContact C-N 3.27Å; T309-T311 PolarHBondContact O-N 2.89Å; T309-I312 PolarHBondContact O-N 2.84Å; T309-R313 WeakPolarHBondContact O-CG 3.38Å; T309-R313 PolarHBondContact O-N 2.79Å
310G93.6Very high87.8Confident0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-57.8-38.8174.600000112.8V121 P306 Y307 R313 M314V121-G310 VanDerWaalsContact O-CA 3.27Å; V121-G310 WeakPolarHBondContact O-CA 3.34Å; P306-G310 PolarHBondContact O-N 2.99Å; Y307-G310 PolarHBondContact O-N 3.25Å; G310-R313 PolarHBondContact O-N 2.86Å; G310-M314 VanDerWaalsContact O-CB 3.3Å; G310-M314 WeakPolarHBondContact O-CB 3.39Å; G310-M314 PolarHBondContact O-N 2.84Å
311T93.3Very high89.7Confident19 Ų1934.5 Ų34.512%0.11718%0.179CC..Hα-helixtrans-63.1-45.9177.3-560000111.2I17 L20 V121 Y307 L308 T309 M314 I315I17-T311 HydrophobicContact CG1-CG2 4.24Å; L20-T311 HydrophobicContact CD1-CG2 3.89Å; V121-T311 WeakPolarHBondContact CG1-OG1 3.23Å; Y307-T311 WeakPolarHBondContact O-CB 3.17Å; Y307-T311 PolarHBondContact O-N 3.47Å; Y307-T311 PolarHBondContact O-OG1 2.95Å; L308-T311 WeakPolarHBondContact O-CB 3.43Å; L308-T311 PolarHBondContact O-N 3.29Å; L308-T311 VanDerWaalsContact O-N 3.14Å; T309-T311 VanDerWaalsContact C-N 3.27Å; T309-T311 PolarHBondContact O-N 2.89Å; T311-M314 PolarHBondContact O-N 2.86Å; T311-I315 HydrophobicContact CG2-CD1 4.01Å; T311-I315 WeakPolarHBondContact O-CG1 3.49Å; T311-I315 PolarHBondContact O-N 2.82Å
312I92.4Very high91.3Very high18 Ų1830.6 Ų30.69%0.09215%0.152CC..Hα-helixtrans-59.5-49176.8-66.6166.1000110L20 L290 A293 L308 T309 M314 I315 Q316L20-I312 HydrophobicContact CD1-CG1 3.89Å; L20-I312 HydrophobicContact CD2-CD1 4.34Å; L20-I312 HydrophobicContact CD2-CG1 3.75Å; L20-I312 HydrophobicContact CG-CG1 4.47Å; L290-I312 HydrophobicContact CD2-CD1 4.05Å; A293-I312 HydrophobicContact CB-CD1 4.39Å; L308-I312 HydrophobicContact CG-CD1 4.35Å; L308-I312 WeakPolarHBondContact O-CG1 3.37Å; L308-I312 PolarHBondContact O-N 3.14Å; T309-I312 PolarHBondContact O-N 2.84Å; I312-M314 VanDerWaalsContact C-N 3.35Å; I312-M314 PolarHBondContact O-N 3.13Å; I312-I315 PolarHBondContact O-N 2.91Å; I312-Q316 WeakPolarHBondContact O-CG 3.4Å; I312-Q316 PolarHBondContact O-N 2.84Å
313R94Very high92.2Very high81 Ų8130.6 Ų30.631%0.30615%0.149SC..Hα-helixtrans-63.7-38.5179.8-64.4-56.8-177.2177.95.4112.6F124 P126 T288 T309 G310 Q316 A317F124-R313 HydrophobicContact CB-CB 3.87Å; F124-R313 VanDerWaalsContact O-CB 3.3Å; F124-R313 WeakPolarHBondContact O-CB 3.27Å; P126-R313 HydrophobicContact CG-CG 4.47Å; T288-R313 PolarHBondContact OG1-NH2 2.83Å; T309-R313 WeakPolarHBondContact O-CG 3.38Å; T309-R313 PolarHBondContact O-N 2.79Å; G310-R313 PolarHBondContact O-N 2.86Å; R313-Q316 VanDerWaalsContact NH1-OE1 3.15Å; R313-Q316 PolarHBondContact O-N 2.92Å; R313-A317 PolarHBondContact O-N 3.14Å
314M96.1Very high92.4Very high9 Ų935.6 Ų35.64%0.04418%0.176CC..Hα-helixtrans-62.6-47.6174.1-177-178.272.400111.4I91 V121 F124 G310 T311 I312 Q316 A317 V318I91-M314 HydrophobicContact CG2-CE 4.42Å; V121-M314 HydrophobicContact CG1-CB 4.49Å; V121-M314 HydrophobicContact CG1-CE 3.84Å; V121-M314 HydrophobicContact CG1-SD 3.93Å; F124-M314 HydrophobicContact CB-CB 4.33Å; F124-M314 HydrophobicContact CD1-CB 4.24Å; F124-M314 HydrophobicContact CD2-CB 3.67Å; F124-M314 HydrophobicContact CD2-CG 3.85Å; F124-M314 HydrophobicContact CD2-SD 4.42Å; F124-M314 HydrophobicContact CE1-CB 4.47Å; F124-M314 HydrophobicContact CE1-CG 4.42Å; F124-M314 HydrophobicContact CE2-CB 3.93Å; F124-M314 HydrophobicContact CE2-CG 3.57Å; F124-M314 HydrophobicContact CE2-SD 4.11Å; F124-M314 HydrophobicContact CG-CB 3.82Å; F124-M314 HydrophobicContact CG-CG 4.38Å; F124-M314 HydrophobicContact CZ-CB 4.32Å; F124-M314 HydrophobicContact CZ-CG 3.88Å; G310-M314 VanDerWaalsContact O-CB 3.3Å; G310-M314 WeakPolarHBondContact O-CB 3.39Å; G310-M314 PolarHBondContact O-N 2.84Å; T311-M314 PolarHBondContact O-N 2.86Å; I312-M314 VanDerWaalsContact C-N 3.35Å; I312-M314 PolarHBondContact O-N 3.13Å; M314-Q316 VanDerWaalsContact C-N 3.29Å; M314-Q316 PolarHBondContact O-N 2.79Å; M314-A317 WeakPolarHBondContact O-CB 3.42Å; M314-A317 PolarHBondContact O-N 2.87Å; M314-A317 VanDerWaalsContact O-N 3.15Å; M314-V318 VanDerWaalsContact O-CG2 3.32Å; M314-V318 WeakPolarHBondContact O-CG2 3.49Å; M314-V318 PolarHBondContact O-N 3.18Å
315I95.6Very high92.4Very high8 Ų836.2 Ų36.24%0.04118%0.176CC..Hα-helixtrans-63.2-37.9179-66.2168.9000110.9L20 L21 E24 F26 T311 I312 V318 R319L20-I315 HydrophobicContact CB-CD1 3.52Å; L20-I315 HydrophobicContact CD1-CD1 4.01Å; L20-I315 HydrophobicContact CG-CD1 4.42Å; L21-I315 HydrophobicContact CD2-CG1 4.5Å; L21-I315 HydrophobicContact CD2-CG2 4.02Å; L21-I315 HydrophobicContact CG-CD1 4.47Å; E24-I315 HydrophobicContact CB-CG2 3.94Å; E24-I315 HydrophobicContact CG-CG2 3.84Å; F26-I315 HydrophobicContact CD2-CG2 4.39Å; F26-I315 HydrophobicContact CE2-CG2 4.07Å; T311-I315 HydrophobicContact CG2-CD1 4.01Å; T311-I315 WeakPolarHBondContact O-CG1 3.49Å; T311-I315 PolarHBondContact O-N 2.82Å; I312-I315 PolarHBondContact O-N 2.91Å; I315-V318 PolarHBondContact O-N 3.19Å; I315-R319 WeakPolarHBondContact O-CB 3.5Å; I315-R319 PolarHBondContact O-N 2.83Å
316Q95.2Very high92.2Very high50 Ų5042.5 Ų42.523%0.23421%0.205CC..Hα-helixtrans-61.4-42.6173.1-74.6172.6-8.400112.2E24 I312 R313 M314 R319 Q320E24-Q316 HydrophobicContact CG-CG 4.29Å; E24-Q316 VanDerWaalsContact OE1-CG 3.22Å; E24-Q316 WeakPolarHBondContact OE1-CG 3.43Å; E24-Q316 PolarHBondContact OE1-NE2 3.24Å; I312-Q316 WeakPolarHBondContact O-CG 3.4Å; I312-Q316 PolarHBondContact O-N 2.84Å; R313-Q316 VanDerWaalsContact NH1-OE1 3.15Å; R313-Q316 PolarHBondContact O-N 2.92Å; M314-Q316 VanDerWaalsContact C-N 3.29Å; M314-Q316 PolarHBondContact O-N 2.79Å; Q316-R319 WeakPolarHBondContact O-CB 3.05Å; Q316-R319 PolarHBondContact O-N 2.93Å; Q316-Q320 WeakPolarHBondContact O-CG 3.42Å; Q316-Q320 PolarHBondContact O-N 2.9Å
317A96.2Very high91.9Very high9 Ų946.2 Ų46.27%0.07423%0.225CC..Hα-helixtrans-65.6-41.3175.800000111.7F124 R313 M314 R319 Q320 A321 L336F124-A317 HydrophobicContact CD1-CB 4.08Å; F124-A317 HydrophobicContact CE1-CB 3.64Å; R313-A317 PolarHBondContact O-N 3.14Å; M314-A317 WeakPolarHBondContact O-CB 3.42Å; M314-A317 PolarHBondContact O-N 2.87Å; M314-A317 VanDerWaalsContact O-N 3.15Å; A317-R319 VanDerWaalsContact C-N 3.34Å; A317-R319 PolarHBondContact O-N 2.82Å; A317-Q320 PolarHBondContact O-N 2.83Å; A317-A321 PolarHBondContact O-N 3.44Å; A317-L336 HydrophobicContact CB-CD2 3.79Å
318V96.5Very high91.6Very high2 Ų249.5 Ų49.51%0.01224%0.237CC..Hα-helixtrans-61.3-44.2173.9175.40000110.4F26 L66 I91 I117 M314 I315 Q320 A321 F322 L336F26-V318 HydrophobicContact CZ-CG1 3.93Å; L66-V318 HydrophobicContact CD2-CG1 4.12Å; I91-V318 HydrophobicContact CD1-CG1 4.11Å; I91-V318 HydrophobicContact CD1-CG2 3.88Å; I117-V318 HydrophobicContact CD1-CG2 4.08Å; M314-V318 VanDerWaalsContact O-CG2 3.32Å; M314-V318 WeakPolarHBondContact O-CG2 3.49Å; M314-V318 PolarHBondContact O-N 3.18Å; I315-V318 PolarHBondContact O-N 3.19Å; V318-Q320 PolarHBondContact O-N 3.17Å; V318-A321 WeakPolarHBondContact O-CB 3.36Å; V318-A321 PolarHBondContact O-N 3.32Å; V318-F322 HydrophobicContact CG1-CD2 4.03Å; V318-F322 HydrophobicContact CG1-CE2 3.9Å; V318-F322 VanDerWaalsContact O-CD2 3.23Å; V318-F322 WeakPolarHBondContact O-CD2 3.49Å; V318-F322 PolarHBondContact O-N 3.37Å; V318-L336 HydrophobicContact CG2-CD1 4.31Å; V318-L336 HydrophobicContact CG2-CD2 3.94Å
319R95.5Very high91.3Very high83 Ų8354.1 Ų54.131%0.31325%0.254SS..Hα-helixtrans-56.2-50.5174.6177.7-168.2162.6-178.8-0.3111.1L2 E24 F26 I315 Q316 A317 A321 F322 Q323L2-R319 HydrophobicContact CD1-CG 4.14Å; L2-R319 HydrophobicContact CD2-CG 4.15Å; E24-R319 VanDerWaalsContact O-CD 3.32Å; E24-R319 WeakPolarHBondContact O-CD 3.23Å; E24-R319 VanDerWaalsContact OE2-CD 3.32Å; E24-R319 WeakPolarHBondContact OE2-CD 3.21Å; E24-R319 IonicContact OE2-CZ 2.98Å; E24-R319 IonicContact OE2-NH1 3.83Å; E24-R319 PolarHBondContact OE2-NH1 2.89Å; F26-R319 HydrophobicContact CE2-CB 3.82Å; F26-R319 HydrophobicContact CE2-CG 4.5Å; F26-R319 HydrophobicContact CZ-CB 4Å; I315-R319 WeakPolarHBondContact O-CB 3.5Å; I315-R319 PolarHBondContact O-N 2.83Å; Q316-R319 WeakPolarHBondContact O-CB 3.05Å; Q316-R319 PolarHBondContact O-N 2.93Å; A317-R319 VanDerWaalsContact C-N 3.34Å; A317-R319 PolarHBondContact O-N 2.82Å; R319-A321 PolarHBondContact O-N 3.05Å; R319-F322 PolarHBondContact O-N 2.98Å; R319-Q323 WeakPolarHBondContact O-CB 3.1Å; R319-Q323 PolarHBondContact O-N 3.34Å
320Q95.2Very high91.3Very high117 Ų11757.1 Ų57.155%0.54727%0.273SS..Hα-helixtrans-58-38.1178.8-72.5174.31.900112.1Q316 A317 V318 F322 Q323 P335Q316-Q320 WeakPolarHBondContact O-CG 3.42Å; Q316-Q320 PolarHBondContact O-N 2.9Å; A317-Q320 PolarHBondContact O-N 2.83Å; V318-Q320 PolarHBondContact O-N 3.17Å; Q320-F322 PolarHBondContact O-N 3.4Å; Q320-Q323 PolarHBondContact O-N 2.83Å; Q320-P335 HydrophobicContact CB-CB 3.92Å; Q320-P335 HydrophobicContact CB-CG 3.9Å
321A95.4Very high91.3Very high0 Ų060.1 Ų60.10%029%0.285CS..Hα-helixtrans-60.7-29.8176.500000113.2A317 V318 R319 W331 D332 P335 L336A317-A321 PolarHBondContact O-N 3.44Å; V318-A321 WeakPolarHBondContact O-CB 3.36Å; V318-A321 PolarHBondContact O-N 3.32Å; R319-A321 PolarHBondContact O-N 3.05Å; A321-W331 HydrophobicContact CB-CB 4.39Å; A321-W331 HydrophobicContact CB-CE3 4.38Å; A321-W331 CarbonylContact O-C 3.58Å; A321-W331 WeakPolarHBondContact O-CA 3.38Å; A321-D332 VanDerWaalsContact CB-O 3.23Å; A321-D332 WeakPolarHBondContact CB-O 3.47Å; A321-D332 PolarHBondContact O-N 2.78Å; A321-P335 HydrophobicContact CB-CG 4.42Å; A321-L336 HydrophobicContact CB-CD1 3.73Å; A321-L336 HydrophobicContact CB-CG 4.23Å
322F95.1Very high91.2Very high2 Ų261 Ų611%0.00929%0.289CS..Hα-helixtrans-102.2-13.5-179.3-72.3-76.7000114.7L2 P3 L66 N89 L115 V318 R319 Q320 D324 Q325 T330 W331L2-F322 HydrophobicContact CD2-CB 3.78Å; P3-F322 HydrophobicContact CG-CB 4.45Å; P3-F322 HydrophobicContact CG-CD1 3.85Å; P3-F322 HydrophobicContact CG-CD2 3.9Å; P3-F322 HydrophobicContact CG-CE1 4.01Å; P3-F322 HydrophobicContact CG-CE2 4.09Å; P3-F322 HydrophobicContact CG-CG 3.82Å; P3-F322 HydrophobicContact CG-CZ 4.15Å; L66-F322 HydrophobicContact CD2-CE2 4.43Å; N89-F322 HydrophobicContact CB-CZ 4.38Å; L115-F322 HydrophobicContact CD2-CE2 3.88Å; L115-F322 HydrophobicContact CD2-CZ 4.09Å; V318-F322 HydrophobicContact CG1-CD2 4.03Å; V318-F322 HydrophobicContact CG1-CE2 3.9Å; V318-F322 VanDerWaalsContact O-CD2 3.23Å; V318-F322 WeakPolarHBondContact O-CD2 3.49Å; V318-F322 PolarHBondContact O-N 3.37Å; R319-F322 PolarHBondContact O-N 2.98Å; Q320-F322 PolarHBondContact O-N 3.4Å; F322-D324 VanDerWaalsContact C-N 3.26Å; F322-D324 PolarHBondContact O-N 3.34Å; F322-D324 VanDerWaalsContact O-N 3.16Å; F322-Q325 PolarHBondContact O-N 2.74Å; F322-T330 WeakPolarHBondContact CD1-O 2.98Å; F322-T330 WeakPolarHBondContact CE1-O 3.34Å; F322-W331 HydrophobicContact CD1-CB 3.98Å; F322-W331 HydrophobicContact CE1-CB 3.67Å; F322-W331 HydrophobicContact CE1-CG 4.48Å; F322-W331 HydrophobicContact CE2-CB 4.38Å; F322-W331 HydrophobicContact CG-CB 4.46Å; F322-W331 HydrophobicContact CZ-CB 3.86Å; F322-W331 HydrophobicContact CZ-CG 4.42Å
323Q86.9Confident91.2Very high91 Ų9161.7 Ų61.743%0.42530%0.299SS..THydrogen-bonded Turntrans-66.3-23.5-163.1-171.4165.2-37.800114.2R319 Q320R319-Q323 WeakPolarHBondContact O-CB 3.1Å; R319-Q323 PolarHBondContact O-N 3.34Å; Q320-Q323 PolarHBondContact O-N 2.83Å
324D83.6Confident91.1Very high140 Ų14066.9 Ų66.975%0.74932%0.319SS*.THydrogen-bonded Turntrans-124.130.6-175.8-59-45.5000113.2F322F322-D324 VanDerWaalsContact C-N 3.26Å; F322-D324 PolarHBondContact O-N 3.34Å; F322-D324 VanDerWaalsContact O-N 3.16Å
325Q87.4Confident91Very high50 Ų5067.9 Ų67.923%0.23433%0.326CS..  trans-104.7139-178.3-55.7-61-42.500111.9F322 T330F322-Q325 PolarHBondContact O-N 2.74Å; Q325-T330 WeakPolarHBondContact CB-O 3.35Å; Q325-T330 WeakPolarHBondContact CG-O 3.1Å
326D81.3Confident91Very high180 Ų18068 Ų6896%0.96333%0.327SS*.SBendtrans-69.7-35.5-179.6-69.5-35.3000112.4
327D85.9Confident90.9Very high84 Ų8471 Ų7145%0.44935%0.349SS..SBendtrans-107.1134.9176.6-173.6-26.2000109.8R329 T330D327-R329 PolarHBondContact O-N 3.21Å; D327-R329 VanDerWaalsContact O-N 3.1Å; D327-R329 PolarHBondContact OD1-N 3.12Å; D327-T330 PolarHBondContact O-N 3.34Å
328R84.1Confident90.8Very high92 Ų9272.9 Ų72.935%0.34736%0.357SS..THydrogen-bonded Turntrans-58.5-21.6177.3-63.6-175.9-174.1167.23.6113.4M1 P3 D65M1-R328 VanDerWaalsContact SD-CZ 3.57Å; M1-R328 PolarHBondContact SD-NH2 3.27Å; P3-R328 WeakPolarHBondContact CB-O 3.48Å; D65-R328 HydrophobicContact CB-CB 4.42Å; D65-R328 WeakPolarHBondContact OD2-CB 3.37Å; D65-R328 WeakPolarHBondContact OD2-CD 3.22Å
329R84.3Confident90.8Very high98 Ų9873.1 Ų73.137%0.3736%0.359SS..THydrogen-bonded Turntrans-92-18.7178.8-63.2-177.7-175.1-179.86.2113.6D65 N89 D327D65-R329 HydrophobicContact CB-CG 4.03Å; D65-R329 WeakPolarHBondContact OD1-CG 3.28Å; D65-R329 IonicContact OD1-CZ 3.35Å; D65-R329 IonicContact OD1-NE 2.69Å; D65-R329 PolarHBondContact OD1-NE 3.42Å; D65-R329 IonicContact OD1-NH2 3.88Å; N89-R329 PolarHBondContact ND2-O 3Å; D327-R329 PolarHBondContact O-N 3.21Å; D327-R329 VanDerWaalsContact O-N 3.1Å; D327-R329 PolarHBondContact OD1-N 3.12Å
330T88.9Confident90.9Very high67 Ų6769.2 Ų69.241%0.41134%0.344SS..  trans-84.2145.9-180-570000109.8F322 Q325 D327F322-T330 WeakPolarHBondContact CD1-O 2.98Å; F322-T330 WeakPolarHBondContact CE1-O 3.34Å; Q325-T330 WeakPolarHBondContact CB-O 3.35Å; Q325-T330 WeakPolarHBondContact CG-O 3.1Å; D327-T330 PolarHBondContact O-N 3.34Å
331W93.6Very high91Very high63 Ų6366.3 Ų66.324%0.23934%0.335CS..  trans-145.6153.3-177.163.7-73.8000110.6K113 L115 A321 F322 G333 L336K113-W331 PolarHBondContact O-NE1 3.16Å; L115-W331 HydrophobicContact CB-CD2 3.96Å; L115-W331 HydrophobicContact CB-CG 4.17Å; L115-W331 HydrophobicContact CB-CZ2 4.16Å; L115-W331 HydrophobicContact CD1-CD2 4Å; L115-W331 HydrophobicContact CD1-CE3 3.73Å; L115-W331 HydrophobicContact CD1-CH2 3.71Å; L115-W331 HydrophobicContact CD1-CZ2 3.99Å; L115-W331 HydrophobicContact CD1-CZ3 3.54Å; L115-W331 VanDerWaalsContact N-NE1 3.14Å; A321-W331 HydrophobicContact CB-CB 4.39Å; A321-W331 HydrophobicContact CB-CE3 4.38Å; A321-W331 CarbonylContact O-C 3.58Å; A321-W331 WeakPolarHBondContact O-CA 3.38Å; F322-W331 HydrophobicContact CD1-CB 3.98Å; F322-W331 HydrophobicContact CE1-CB 3.67Å; F322-W331 HydrophobicContact CE1-CG 4.48Å; F322-W331 HydrophobicContact CE2-CB 4.38Å; F322-W331 HydrophobicContact CG-CB 4.46Å; F322-W331 HydrophobicContact CZ-CB 3.86Å; F322-W331 HydrophobicContact CZ-CG 4.42Å; W331-G333 VanDerWaalsContact CZ3-CA 3.4Å; W331-L336 HydrophobicContact CE3-CD1 4.09Å; W331-L336 HydrophobicContact CZ3-CB 4.33Å; W331-L336 HydrophobicContact CZ3-CD1 4.08Å
332D92.6Very high91.1Very high38 Ų3866.5 Ų66.520%0.20334%0.335CS..  trans-92.5128.5170.4-176.3-4.7000110.1A321 R334 P335A321-D332 VanDerWaalsContact CB-O 3.23Å; A321-D332 WeakPolarHBondContact CB-O 3.47Å; A321-D332 PolarHBondContact O-N 2.78Å; D332-R334 VanDerWaalsContact C-N 3.34Å; D332-R334 PolarHBondContact O-N 3.09Å; D332-R334 WeakPolarHBondContact OD1-CB 3.12Å; D332-R334 WeakPolarHBondContact OD1-CG 3.48Å; D332-R334 PolarHBondContact OD1-N 3.33Å; D332-R334 IonicContact OD1-NE 2.86Å; D332-R334 PolarHBondContact OD1-NE 2.91Å; D332-R334 IonicContact OD2-CZ 3.78Å; D332-R334 IonicContact OD2-NE 3.85Å; D332-R334 PolarHBondContact OD2-NE 3.25Å; D332-R334 IonicContact OD2-NH2 3.71Å; D332-R334 PolarHBondContact OD2-NH2 2.92Å; D332-P335 VanDerWaalsContact O-CD 3.31Å; D332-P335 WeakPolarHBondContact O-CD 3.32Å
333G91.2Very high91.2Very high31 Ų3170.4 Ų70.432%0.3235%0.354SS..SBendtrans-73.1-20.2179.100000115.4W331 L336 T337W331-G333 VanDerWaalsContact CZ3-CA 3.4Å; G333-L336 CarbonylContact O-C 3.55Å; G333-L336 PolarHBondContact O-N 3.45Å; G333-T337 PolarHBondContact O-N 2.91Å
334R93.1Very high91.6Very high191 Ų19167.4 Ų67.472%0.72134%0.34SS*.G310 helixtrans-58.1-43.1-173-67.9178.8-66.91721.3114.1D332 L336 T337D332-R334 VanDerWaalsContact C-N 3.34Å; D332-R334 PolarHBondContact O-N 3.09Å; D332-R334 WeakPolarHBondContact OD1-CB 3.12Å; D332-R334 WeakPolarHBondContact OD1-CG 3.48Å; D332-R334 PolarHBondContact OD1-N 3.33Å; D332-R334 IonicContact OD1-NE 2.86Å; D332-R334 PolarHBondContact OD1-NE 2.91Å; D332-R334 IonicContact OD2-CZ 3.78Å; D332-R334 IonicContact OD2-NE 3.85Å; D332-R334 PolarHBondContact OD2-NE 3.25Å; D332-R334 IonicContact OD2-NH2 3.71Å; D332-R334 PolarHBondContact OD2-NH2 2.92Å; R334-L336 PolarHBondContact O-N 2.99Å; R334-T337 WeakPolarHBondContact O-CG2 3.17Å; R334-T337 PolarHBondContact O-OG1 3.41Å
335P94Very high92.3Very high30 Ų3061.2 Ų61.220%0.19531%0.308CS..G310 helixtrans-69-16.5177.7-22.237000114Q320 A321 D332Q320-P335 HydrophobicContact CB-CB 3.92Å; Q320-P335 HydrophobicContact CB-CG 3.9Å; A321-P335 HydrophobicContact CB-CG 4.42Å; D332-P335 VanDerWaalsContact O-CD 3.31Å; D332-P335 WeakPolarHBondContact O-CD 3.32Å
336L94.9Very high92.7Very high9 Ų959 Ų595%0.04730%0.298CS..G310 helixtrans-115.217.8-172.5-68.1172.6000113L115 I117 F124 A317 V318 A321 W331 G333 R334 M338 A339L115-L336 HydrophobicContact CD1-CD1 3.58Å; L115-L336 HydrophobicContact CD2-CD1 4.29Å; I117-L336 HydrophobicContact CD1-CD2 4.34Å; F124-L336 HydrophobicContact CE1-CD2 4.05Å; F124-L336 HydrophobicContact CZ-CD2 3.91Å; A317-L336 HydrophobicContact CB-CD2 3.79Å; V318-L336 HydrophobicContact CG2-CD1 4.31Å; V318-L336 HydrophobicContact CG2-CD2 3.94Å; A321-L336 HydrophobicContact CB-CD1 3.73Å; A321-L336 HydrophobicContact CB-CG 4.23Å; W331-L336 HydrophobicContact CE3-CD1 4.09Å; W331-L336 HydrophobicContact CZ3-CB 4.33Å; W331-L336 HydrophobicContact CZ3-CD1 4.08Å; G333-L336 CarbonylContact O-C 3.55Å; G333-L336 PolarHBondContact O-N 3.45Å; R334-L336 PolarHBondContact O-N 2.99Å; L336-M338 PolarHBondContact O-N 2.88Å; L336-M338 VanDerWaalsContact O-N 3.16Å; L336-A339 HydrophobicContact CB-CB 4.18Å; L336-A339 HydrophobicContact CD2-CB 4.34Å; L336-A339 WeakPolarHBondContact O-CB 3.21Å; L336-A339 PolarHBondContact O-N 2.66Å
337T93.5Very high93.5Very high114 Ų11450.5 Ų50.570%0.69925%0.252SS*.THydrogen-bonded Turntrans-57.9-28.7177.751.70000113.7G333 R334G333-T337 PolarHBondContact O-N 2.91Å; R334-T337 WeakPolarHBondContact O-CG2 3.17Å; R334-T337 PolarHBondContact O-OG1 3.41Å
338M94.1Very high94Very high49 Ų4946.7 Ų46.724%0.24123%0.232CC..THydrogen-bonded Turntrans-86.9-9.2176.364-169.764.900114.1R123 F124 V129 F186 L336 A340R123-M338 WeakPolarHBondContact CD-O 3.46Å; F124-M338 HydrophobicContact CD1-CG 4.05Å; F124-M338 HydrophobicContact CD1-SD 3.9Å; F124-M338 HydrophobicContact CE1-CG 3.78Å; F124-M338 HydrophobicContact CE1-SD 4.18Å; F124-M338 HydrophobicContact CG-SD 4.49Å; F124-M338 HydrophobicContact CZ-CG 4.15Å; V129-M338 HydrophobicContact CG1-CE 4.42Å; V129-M338 HydrophobicContact CG2-CE 4.31Å; V129-M338 HydrophobicContact CG2-SD 3.86Å; F186-M338 HydrophobicContact CE2-CB 3.76Å; F186-M338 HydrophobicContact CZ-CB 3.83Å; L336-M338 PolarHBondContact O-N 2.88Å; L336-M338 VanDerWaalsContact O-N 3.16Å; M338-A340 PolarHBondContact O-N 2.78Å
339A96.9Very high94.6Very high7 Ų742.5 Ų42.56%0.05822%0.217CC..SBendtrans-61.9137.9-177.500000110.8I117 F124 L336I117-A339 HydrophobicContact CB-CB 4.15Å; I117-A339 HydrophobicContact CD1-CB 4.29Å; I117-A339 HydrophobicContact CG2-CB 3.71Å; F124-A339 HydrophobicContact CE2-CB 4.27Å; F124-A339 HydrophobicContact CZ-CB 3.81Å; L336-A339 HydrophobicContact CB-CB 4.18Å; L336-A339 HydrophobicContact CD2-CB 4.34Å; L336-A339 WeakPolarHBondContact O-CB 3.21Å; L336-A339 PolarHBondContact O-N 2.66Å
340A97.4Very high95.3Very high0 Ų038.2 Ų38.20%020%0.202CC..  trans-70136.5171.600000110.1I117 M118 N120 M338 D344I117-A340 CarbonylContact C-O 3.51Å; I117-A340 WeakPolarHBondContact CA-O 3.44Å; M118-A340 HydrophobicContact CB-CB 4.01Å; M118-A340 PolarHBondContact N-O 3.44Å; N120-A340 HydrophobicContact CB-CB 3.62Å; N120-A340 WeakPolarHBondContact ND2-CB 3.27Å; M338-A340 PolarHBondContact O-N 2.78Å; A340-D344 HydrophobicContact CB-CB 4.15Å
341T96.9Very high95.7Very high57 Ų5735 Ų3535%0.3518%0.182SC..BIsolated β-bridgetrans-92.3174176.866.20000111.2M118 E343 D344 C345M118-T341 VanDerWaalsContact CG-O 3.29Å; M118-T341 WeakPolarHBondContact CG-O 3.25Å; T341-E343 PolarHBondContact O-N 3.3Å; T341-E343 PolarHBondContact OG1-N 3.28Å; T341-D344 WeakPolarHBondContact CB-OD2 3.26Å; T341-D344 PolarHBondContact N-OD2 3.41Å; T341-D344 PolarHBondContact O-N 3Å; T341-D344 PolarHBondContact OG1-N 2.85Å; T341-D344 VanDerWaalsContact OG1-N 3.15Å; T341-D344 PolarHBondContact OG1-OD2 2.98Å; T341-C345 PolarHBondContact O-N 2.9Å
342F97.3Very high95.9Very high3 Ų332 Ų321%0.01317%0.171CC..Hα-helixtrans-65.5-23.9169.2-67.5-14.6000113A80 L84 V90 C92 M104 M105 A108 M118 L346A80-F342 HydrophobicContact CB-CZ 4.29Å; L84-F342 HydrophobicContact CD1-CE2 3.89Å; V90-F342 HydrophobicContact CG1-CE2 4.04Å; V90-F342 HydrophobicContact CG1-CZ 3.68Å; C92-F342 HydrophobicContact CB-CE1 3.91Å; C92-F342 HydrophobicContact CB-CZ 4.24Å; M104-F342 VanDerWaalsContact C-CD2 3.45Å; M104-F342 HydrophobicContact CB-CB 4.39Å; M104-F342 HydrophobicContact CB-CD2 3.65Å; M104-F342 HydrophobicContact CB-CE2 3.93Å; M104-F342 HydrophobicContact CB-CG 4Å; M104-F342 HydrophobicContact CE-CD1 3.82Å; M104-F342 HydrophobicContact CE-CD2 4.41Å; M104-F342 HydrophobicContact CE-CE1 3.48Å; M104-F342 VanDerWaalsContact CE-CE1 3.48Å; M104-F342 HydrophobicContact CE-CE2 4.08Å; M104-F342 HydrophobicContact CE-CG 4.27Å; M104-F342 HydrophobicContact CE-CZ 3.6Å; M104-F342 VanDerWaalsContact O-CD2 3.28Å; M104-F342 WeakPolarHBondContact O-CD2 3.47Å; M105-F342 HydrophobicContact CB-CB 3.96Å; A108-F342 HydrophobicContact CB-CD2 3.78Å; A108-F342 HydrophobicContact CB-CE2 4.42Å; M118-F342 HydrophobicContact CG-CD1 3.73Å; M118-F342 HydrophobicContact CG-CE1 4.21Å; M118-F342 HydrophobicContact SD-CD1 3.38Å; M118-F342 WeakPolarHBondContact SD-CD1 3.29Å; M118-F342 HydrophobicContact SD-CE1 3.53Å; M118-F342 VanDerWaalsContact SD-CE1 3.53Å; F342-L346 PolarHBondContact O-N 3.09Å
343E96.4Very high96.1Very high85 Ų8532.8 Ų32.840%0.39718%0.175SC..Hα-helixtrans-71-43.1172.7-167.3-169.6147.100111.5M105 R191 T341 C345 L346 Y347M105-E343 HydrophobicContact CG-CB 4.12Å; M105-E343 HydrophobicContact SD-CB 4.33Å; M105-E343 HydrophobicContact SD-CG 4.13Å; R191-E343 IonicContact CZ-OE1 3.83Å; R191-E343 IonicContact NH1-OE1 3.96Å; R191-E343 IonicContact NH2-OE1 2.81Å; R191-E343 PolarHBondContact NH2-OE1 3.47Å; T341-E343 PolarHBondContact O-N 3.3Å; T341-E343 PolarHBondContact OG1-N 3.28Å; E343-C345 VanDerWaalsContact C-N 3.27Å; E343-C345 PolarHBondContact O-N 3.14Å; E343-L346 WeakPolarHBondContact O-CB 3.45Å; E343-L346 PolarHBondContact O-N 2.78Å; E343-Y347 PolarHBondContact O-N 2.9Å
344D97.1Very high96.4Very high27 Ų2731.8 Ų31.814%0.14416%0.162CC..Hα-helixtrans-57.9-42.9174.6-67.1-74.1000111R123 A340 T341 Y347 A348R123-D344 IonicContact CZ-OD1 3.47Å; R123-D344 IonicContact NH1-OD1 2.71Å; R123-D344 IonicContact NH1-OD2 3.82Å; R123-D344 IonicContact NH2-OD1 3.75Å; R123-D344 PolarHBondContact NH2-OD1 2.83Å; R123-D344 IonicContact NH2-OD2 2.93Å; A340-D344 HydrophobicContact CB-CB 4.15Å; T341-D344 WeakPolarHBondContact CB-OD2 3.26Å; T341-D344 PolarHBondContact N-OD2 3.41Å; T341-D344 PolarHBondContact O-N 3Å; T341-D344 PolarHBondContact OG1-N 2.85Å; T341-D344 VanDerWaalsContact OG1-N 3.15Å; T341-D344 PolarHBondContact OG1-OD2 2.98Å; D344-Y347 PolarHBondContact O-N 2.97Å; D344-A348 WeakPolarHBondContact O-CB 3.41Å; D344-A348 PolarHBondContact O-N 3.05Å
345C96.6Very high96.6Very high11 Ų1122.7 Ų22.77%0.07413%0.128CC..Hα-helixtrans-65.3-41.3175.9172.20000112.9T95 M118 T341 E343 Y347 A348 L349T95-C345 VanDerWaalsContact CG2-SG 3.55Å; M118-C345 HydrophobicContact CE-CB 3.92Å; M118-C345 HydrophobicContact CG-CB 3.64Å; M118-C345 HydrophobicContact SD-CB 3.87Å; T341-C345 PolarHBondContact O-N 2.9Å; E343-C345 VanDerWaalsContact C-N 3.27Å; E343-C345 PolarHBondContact O-N 3.14Å; C345-Y347 VanDerWaalsContact C-N 3.32Å; C345-Y347 PolarHBondContact O-N 3.23Å; C345-A348 PolarHBondContact O-N 2.86Å; C345-L349 WeakPolarHBondContact O-CB 3.3Å; C345-L349 WeakPolarHBondContact O-CG 3.28Å; C345-L349 PolarHBondContact O-N 2.62Å
346L97.2Very high96.7Very high2 Ų222.6 Ų22.61%0.0113%0.125CC..Hα-helixtrans-56.9-49.4174.117260.6000110.8P98 A101 F102 M105 F342 E343 L349 C350 V369 M370P98-L346 HydrophobicContact CB-CD1 4.07Å; P98-L346 WeakPolarHBondContact O-CD1 3.44Å; A101-L346 HydrophobicContact CB-CB 3.93Å; A101-L346 HydrophobicContact CB-CD1 4.17Å; F102-L346 HydrophobicContact CB-CD1 3.98Å; F102-L346 HydrophobicContact CB-CD2 4.25Å; F102-L346 HydrophobicContact CD2-CD2 3.92Å; M105-L346 HydrophobicContact CE-CD2 4.37Å; M105-L346 HydrophobicContact SD-CD2 3.73Å; F342-L346 PolarHBondContact O-N 3.09Å; E343-L346 WeakPolarHBondContact O-CB 3.45Å; E343-L346 PolarHBondContact O-N 2.78Å; L346-L349 PolarHBondContact O-N 3.12Å; L346-C350 PolarHBondContact O-N 2.88Å; L346-C350 PolarHBondContact O-SG 3.45Å; L346-C350 VanDerWaalsContact O-SG 3.39Å; L346-V369 HydrophobicContact CD2-CG1 4.35Å; L346-V369 HydrophobicContact CG-CG1 4.27Å; L346-M370 HydrophobicContact CD1-CB 4.17Å
347Y97.6Very high96.8Very high3 Ų327.8 Ų27.81%0.01215%0.147CC..Hα-helixtrans-59-51.9177.3162.2-97.9000111.4I181 T185 R191 A192 E343 D344 C345 L349 C350 V351 V369I181-Y347 HydrophobicContact CG2-CE1 4.16Å; T185-Y347 HydrophobicContact CG2-CD1 4.38Å; T185-Y347 HydrophobicContact CG2-CE1 3.83Å; T185-Y347 VanDerWaalsContact OG1-CE1 3.24Å; T185-Y347 WeakPolarHBondContact OG1-CE1 3.29Å; R191-Y347 WeakPolarHBondContact CA-OH 3.4Å; R191-Y347 HydrophobicContact CB-CE2 3.72Å; R191-Y347 HydrophobicContact CG-CD2 4.21Å; R191-Y347 HydrophobicContact CG-CE1 4.42Å; R191-Y347 HydrophobicContact CG-CE2 3.78Å; A192-Y347 PolarHBondContact N-OH 3.26Å; E343-Y347 PolarHBondContact O-N 2.9Å; D344-Y347 PolarHBondContact O-N 2.97Å; C345-Y347 VanDerWaalsContact C-N 3.32Å; C345-Y347 PolarHBondContact O-N 3.23Å; Y347-L349 VanDerWaalsContact C-N 3.27Å; Y347-L349 PolarHBondContact O-N 3.47Å; Y347-C350 WeakPolarHBondContact O-CB 3.39Å; Y347-C350 PolarHBondContact O-N 2.82Å; Y347-V351 HydrophobicContact CD2-CG2 4.24Å; Y347-V351 HydrophobicContact CE1-CG2 4.11Å; Y347-V351 HydrophobicContact CE2-CG2 3.69Å; Y347-V351 WeakPolarHBondContact O-CG2 3.44Å; Y347-V351 PolarHBondContact O-N 3.16Å; Y347-V369 HydrophobicContact CD2-CG2 3.84Å
348A97.4Very high97.1Very high3 Ų322.4 Ų22.43%0.02511%0.114CC..Hα-helixtrans-58.3-39.6-178.900000112I181 D344 C345 V351 V352I181-A348 HydrophobicContact CG2-CB 4.18Å; D344-A348 WeakPolarHBondContact O-CB 3.41Å; D344-A348 PolarHBondContact O-N 3.05Å; C345-A348 PolarHBondContact O-N 2.86Å; A348-V351 WeakPolarHBondContact O-CB 3.24Å; A348-V351 PolarHBondContact O-N 3.37Å; A348-V352 WeakPolarHBondContact O-CG2 3.19Å; A348-V352 PolarHBondContact O-N 3.02Å
349L96.6Very high97.2Very high5 Ų522.5 Ų22.53%0.02612%0.115CC..Hα-helixtrans-71.8-34.8176.4-70.3177.6000113T95 P98 A101 H174 C345 L346 Y347 V351 V352 D353T95-L349 HydrophobicContact CG2-CD1 3.37Å; T95-L349 WeakPolarHBondContact O-CD1 3.32Å; P98-L349 HydrophobicContact CB-CB 4.44Å; P98-L349 HydrophobicContact CG-CB 3.93Å; A101-L349 HydrophobicContact CB-CD1 4.04Å; H174-L349 WeakPolarHBondContact NE2-CD2 3.19Å; C345-L349 WeakPolarHBondContact O-CB 3.3Å; C345-L349 WeakPolarHBondContact O-CG 3.28Å; C345-L349 PolarHBondContact O-N 2.62Å; L346-L349 PolarHBondContact O-N 3.12Å; Y347-L349 VanDerWaalsContact C-N 3.27Å; Y347-L349 PolarHBondContact O-N 3.47Å; L349-V351 VanDerWaalsContact C-N 3.26Å; L349-V351 PolarHBondContact O-N 3.03Å; L349-V352 PolarHBondContact O-N 2.8Å; L349-D353 PolarHBondContact O-N 2.86Å
350C97.3Very high97.2Very high7 Ų729.8 Ų29.85%0.04715%0.148CC..Hα-helixtrans-60.5-38.7170.3-76.70000111.2L346 Y347 T354L346-C350 PolarHBondContact O-N 2.88Å; L346-C350 PolarHBondContact O-SG 3.45Å; L346-C350 VanDerWaalsContact O-SG 3.39Å; Y347-C350 WeakPolarHBondContact O-CB 3.39Å; Y347-C350 PolarHBondContact O-N 2.82Å; C350-T354 WeakPolarHBondContact O-CB 3.32Å; C350-T354 PolarHBondContact O-N 3.45Å; C350-T354 PolarHBondContact O-OG1 2.92Å
351V98.1Very high97.2Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-64.4-48173.6179.40000110.7I181 V195 M225 Y347 A348 L349 D353 T354 I355 I367I181-V351 HydrophobicContact CD1-CB 4.2Å; I181-V351 HydrophobicContact CD1-CG1 3.75Å; I181-V351 HydrophobicContact CG1-CG1 4.16Å; I181-V351 HydrophobicContact CG2-CB 3.99Å; I181-V351 HydrophobicContact CG2-CG1 4Å; I181-V351 HydrophobicContact CG2-CG2 4.11Å; V195-V351 HydrophobicContact CG1-CG1 4.12Å; M225-V351 HydrophobicContact SD-CG1 3.91Å; Y347-V351 HydrophobicContact CD2-CG2 4.24Å; Y347-V351 HydrophobicContact CE1-CG2 4.11Å; Y347-V351 HydrophobicContact CE2-CG2 3.69Å; Y347-V351 WeakPolarHBondContact O-CG2 3.44Å; Y347-V351 PolarHBondContact O-N 3.16Å; A348-V351 WeakPolarHBondContact O-CB 3.24Å; A348-V351 PolarHBondContact O-N 3.37Å; L349-V351 VanDerWaalsContact C-N 3.26Å; L349-V351 PolarHBondContact O-N 3.03Å; V351-D353 PolarHBondContact O-N 2.94Å; V351-T354 WeakPolarHBondContact O-CB 3.39Å; V351-T354 PolarHBondContact O-N 3.17Å; V351-T354 VanDerWaalsContact O-N 3.09Å; V351-I355 HydrophobicContact CG1-CD1 3.85Å; V351-I355 HydrophobicContact CG1-CG1 4.35Å; V351-I355 VanDerWaalsContact O-CG1 3.32Å; V351-I355 WeakPolarHBondContact O-CG1 3.47Å; V351-I355 PolarHBondContact O-N 3.22Å; V351-I367 HydrophobicContact CB-CD1 4.5Å; V351-I367 HydrophobicContact CG1-CD1 4.28Å; V351-I367 HydrophobicContact CG2-CD1 3.77Å; V351-I367 HydrophobicContact CG2-CG1 4.35Å; V351-I367 HydrophobicContact CG2-CG2 4.21Å
352V97.4Very high97.1Very high0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-54.5-50176.1165.20000111.7L173 I181 A348 L349 T354 I355 K356L173-V352 HydrophobicContact CD1-CG2 4.35Å; L173-V352 HydrophobicContact CD2-CG1 3.93Å; L173-V352 HydrophobicContact CG-CG1 3.99Å; L173-V352 HydrophobicContact CG-CG2 4.22Å; I181-V352 HydrophobicContact CD1-CG2 3.79Å; A348-V352 WeakPolarHBondContact O-CG2 3.19Å; A348-V352 PolarHBondContact O-N 3.02Å; L349-V352 PolarHBondContact O-N 2.8Å; V352-T354 VanDerWaalsContact C-N 3.28Å; V352-T354 PolarHBondContact O-N 2.92Å; V352-I355 PolarHBondContact O-N 2.93Å; V352-K356 WeakPolarHBondContact O-CG 3.46Å; V352-K356 PolarHBondContact O-N 3.2Å
353D96.3Very high97.1Very high55 Ų5538.6 Ų38.629%0.29421%0.206SC..Hα-helixtrans-62.5-36.3178-88.812.1000111.9P98 L349 V351 K356 K357P98-D353 VanDerWaalsContact CD-OD2 3.24Å; P98-D353 WeakPolarHBondContact CD-OD2 3.31Å; P98-D353 HydrophobicContact CG-CB 4.25Å; P98-D353 WeakPolarHBondContact CG-OD2 3.41Å; L349-D353 PolarHBondContact O-N 2.86Å; V351-D353 PolarHBondContact O-N 2.94Å; D353-K356 PolarHBondContact O-N 2.72Å; D353-K357 WeakPolarHBondContact O-CG 3.15Å; D353-K357 PolarHBondContact O-N 3.43Å
354T97.9Very high97.2Very high9 Ų939.5 Ų39.56%0.05521%0.206CC..Hα-helixtrans-69.1-38.1177.2-54.40000111.5V195 C350 V351 V352 K357 S358 Q365 I367V195-T354 HydrophobicContact CG2-CG2 3.52Å; C350-T354 WeakPolarHBondContact O-CB 3.32Å; C350-T354 PolarHBondContact O-N 3.45Å; C350-T354 PolarHBondContact O-OG1 2.92Å; V351-T354 WeakPolarHBondContact O-CB 3.39Å; V351-T354 PolarHBondContact O-N 3.17Å; V351-T354 VanDerWaalsContact O-N 3.09Å; V352-T354 VanDerWaalsContact C-N 3.28Å; V352-T354 PolarHBondContact O-N 2.92Å; T354-K357 PolarHBondContact O-N 2.9Å; T354-S358 PolarHBondContact O-N 2.78Å; T354-Q365 HydrophobicContact CG2-CB 3.51Å; T354-I367 HydrophobicContact CG2-CG1 4.09Å
355I98.2Very high97.3Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-63.1-43.5172.7-66.4164.5000110.1L173 I181 V195 L199 F223 V351 V352 K357 S358 N359L173-I355 HydrophobicContact CD1-CD1 3.94Å; L173-I355 HydrophobicContact CD1-CG2 4.31Å; L173-I355 HydrophobicContact CD2-CB 4.05Å; L173-I355 HydrophobicContact CD2-CG2 3.78Å; I181-I355 HydrophobicContact CD1-CD1 4.02Å; V195-I355 HydrophobicContact CB-CG1 3.99Å; V195-I355 HydrophobicContact CG1-CG1 4.34Å; V195-I355 HydrophobicContact CG2-CG1 3.79Å; L199-I355 HydrophobicContact CD1-CG2 3.83Å; F223-I355 HydrophobicContact CB-CD1 4.19Å; F223-I355 HydrophobicContact CB-CG1 4.36Å; F223-I355 HydrophobicContact CB-CG2 3.99Å; F223-I355 HydrophobicContact CD1-CD1 4.16Å; F223-I355 HydrophobicContact CD2-CD1 3.58Å; F223-I355 HydrophobicContact CD2-CG1 4.44Å; F223-I355 HydrophobicContact CE1-CD1 4.41Å; F223-I355 HydrophobicContact CE2-CD1 3.88Å; F223-I355 HydrophobicContact CG-CD1 3.73Å; F223-I355 HydrophobicContact CG-CG1 4.43Å; F223-I355 HydrophobicContact CG-CG2 4.44Å; F223-I355 HydrophobicContact CZ-CD1 4.27Å; V351-I355 HydrophobicContact CG1-CD1 3.85Å; V351-I355 HydrophobicContact CG1-CG1 4.35Å; V351-I355 VanDerWaalsContact O-CG1 3.32Å; V351-I355 WeakPolarHBondContact O-CG1 3.47Å; V351-I355 PolarHBondContact O-N 3.22Å; V352-I355 PolarHBondContact O-N 2.93Å; I355-K357 VanDerWaalsContact C-N 3.33Å; I355-K357 PolarHBondContact O-N 3.11Å; I355-S358 WeakPolarHBondContact O-CB 3.37Å; I355-S358 PolarHBondContact O-N 2.85Å; I355-N359 PolarHBondContact O-N 3.19Å
356K96.7Very high97.3Very high29 Ų2945.7 Ų45.713%0.12624%0.236CC..Hα-helixtrans-59.6-42.3175.5-70.6-178.3179-1680112D166 L173 L199 V352 D353 N359 Q360D166-K356 PolarHBondContact O-NZ 2.94Å; D166-K356 WeakPolarHBondContact OD1-CE 3.38Å; D166-K356 IonicContact OD1-NZ 3.32Å; D166-K356 PolarHBondContact OD1-NZ 3.26Å; D166-K356 IonicContact OD2-NZ 3.32Å; D166-K356 PolarHBondContact OD2-NZ 3.34Å; D166-K356 VanDerWaalsContact OD2-NZ 3.09Å; L173-K356 HydrophobicContact CD2-CG 4.02Å; L199-K356 HydrophobicContact CD2-CG 4.36Å; V352-K356 WeakPolarHBondContact O-CG 3.46Å; V352-K356 PolarHBondContact O-N 3.2Å; D353-K356 PolarHBondContact O-N 2.72Å; K356-N359 PolarHBondContact O-N 3.05Å; K356-Q360 WeakPolarHBondContact O-CG 3.49Å; K356-Q360 PolarHBondContact O-N 2.93Å
357K96.9Very high97.3Very high118 Ų11846.8 Ų46.851%0.51324%0.242SC..Hα-helixtrans-62.3-45.2173.9-71.1172.9-173.2175.60111.6D353 T354 I355 N359 Q360 C361 Q365D353-K357 WeakPolarHBondContact O-CG 3.15Å; D353-K357 PolarHBondContact O-N 3.43Å; T354-K357 PolarHBondContact O-N 2.9Å; I355-K357 VanDerWaalsContact C-N 3.33Å; I355-K357 PolarHBondContact O-N 3.11Å; K357-N359 VanDerWaalsContact C-N 3.32Å; K357-N359 PolarHBondContact O-N 3.27Å; K357-Q360 WeakPolarHBondContact O-CB 3.49Å; K357-Q360 PolarHBondContact O-N 2.95Å; K357-C361 PolarHBondContact O-N 3.46Å; K357-C361 PolarHBondContact O-SG 3.42Å; K357-Q365 HydrophobicContact CB-CG 4.49Å
358S98.3Very high97.1Very high0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-57.6-44.1176.5178.40000112H196 G197 T354 I355 Q360 C361 G362 E363H196-S358 VanDerWaalsContact CA-OG 3.3Å; H196-S358 WeakPolarHBondContact CA-OG 3.44Å; G197-S358 PolarHBondContact N-OG 2.88Å; T354-S358 PolarHBondContact O-N 2.78Å; I355-S358 WeakPolarHBondContact O-CB 3.37Å; I355-S358 PolarHBondContact O-N 2.85Å; S358-Q360 VanDerWaalsContact C-N 3.25Å; S358-Q360 PolarHBondContact O-N 3.19Å; S358-C361 PolarHBondContact O-N 3.22Å; S358-C361 PolarHBondContact O-SG 2.9Å; S358-G362 WeakPolarHBondContact O-CA 3.29Å; S358-G362 PolarHBondContact O-N 2.99Å; S358-E363 WeakPolarHBondContact CB-O 3.37Å; S358-E363 PolarHBondContact OG-O 2.95Å
359N97.6Very high96.8Very high52 Ų5253.8 Ų53.828%0.27828%0.284SS..Hα-helixtrans-61.5-32.6175.7175.471.9000113.2G197 F198 L199 I355 K356 K357G197-N359 VanDerWaalsContact O-CA 3.22Å; G197-N359 WeakPolarHBondContact O-CA 3.46Å; G197-N359 WeakPolarHBondContact O-CB 3.44Å; G197-N359 PolarHBondContact O-N 2.92Å; F198-N359 WeakPolarHBondContact CA-OD1 3.2Å; L199-N359 HydrophobicContact CD1-CB 3.72Å; L199-N359 PolarHBondContact N-OD1 3.16Å; L199-N359 PolarHBondContact O-OD1 3.24Å; I355-N359 PolarHBondContact O-N 3.19Å; K356-N359 PolarHBondContact O-N 3.05Å; K357-N359 VanDerWaalsContact C-N 3.32Å; K357-N359 PolarHBondContact O-N 3.27Å
360Q96.4Very high96.5Very high160 Ų16055.8 Ų55.875%0.74829%0.294SS*.Hα-helixtrans-76.9-39.6178.9-70.2170.42.700112.7K356 K357 S358K356-Q360 WeakPolarHBondContact O-CG 3.49Å; K356-Q360 PolarHBondContact O-N 2.93Å; K357-Q360 WeakPolarHBondContact O-CB 3.49Å; K357-Q360 PolarHBondContact O-N 2.95Å; S358-Q360 VanDerWaalsContact C-N 3.25Å; S358-Q360 PolarHBondContact O-N 3.19Å
361C96.9Very high96Very high62 Ų6264.3 Ų64.342%0.41933%0.331SS..Hα-helixtrans-88.9-21.1-179.464.70000113.9K357 S358 E363 Q365K357-C361 PolarHBondContact O-N 3.46Å; K357-C361 PolarHBondContact O-SG 3.42Å; S358-C361 PolarHBondContact O-N 3.22Å; S358-C361 PolarHBondContact O-SG 2.9Å; C361-E363 VanDerWaalsContact C-N 3.3Å; C361-E363 PolarHBondContact SG-N 2.86Å; C361-Q365 PolarHBondContact SG-NE2 3.31Å
362G95.9Very high95.3Very high54 Ų5472 Ų7256%0.55737%0.366SS*.THydrogen-bonded Turntrans74.715.4-174.900000114.4S358S358-G362 WeakPolarHBondContact O-CA 3.29Å; S358-G362 PolarHBondContact O-N 2.99Å
363E97.3Very high94.5Very high128 Ų12876.3 Ų76.360%0.59839%0.387SS*.SBendtrans-124.5160.1-174.9-63.1-177.3167.700111.9S358 C361S358-E363 WeakPolarHBondContact CB-O 3.37Å; S358-E363 PolarHBondContact OG-O 2.95Å; C361-E363 VanDerWaalsContact C-N 3.3Å; C361-E363 PolarHBondContact SG-N 2.86Å
364W98.2Very high93.2Very high105 Ų10576.6 Ų76.640%0.39839%0.392SS..  trans-61.1137.1168.7-76.985.1000110.4K194 V195 H196 Q224 V226K194-W364 HydrophobicContact CB-CE3 4.17Å; K194-W364 HydrophobicContact CD-CD2 4.38Å; K194-W364 HydrophobicContact CD-CE3 3.84Å; K194-W364 HydrophobicContact CD-CZ3 4.43Å; K194-W364 HydrophobicContact CG-CE3 3.72Å; K194-W364 HydrophobicContact CG-CZ3 4.04Å; V195-W364 WeakPolarHBondContact O-CA 3.5Å; H196-W364 HydrophobicContact CB-CD2 3.53Å; H196-W364 HydrophobicContact CB-CE3 3.77Å; H196-W364 HydrophobicContact CB-CG 4.01Å; H196-W364 HydrophobicContact CB-CH2 4.05Å; H196-W364 HydrophobicContact CB-CZ2 3.82Å; H196-W364 HydrophobicContact CB-CZ3 4.03Å; Q224-W364 HydrophobicContact CB-CH2 3.78Å; Q224-W364 HydrophobicContact CB-CZ2 4.41Å; V226-W364 HydrophobicContact CG2-CH2 4.05Å; V226-W364 HydrophobicContact CG2-CZ3 3.93Å
365Q98.4Very high91.6Very high53 Ų5385.1 Ų85.125%0.24843%0.431CS..EExtended strand (participates in β ladder)trans-123.5133.4179.9-66-62.1-58.600110.2K194 V195 T354 K357 C361K194-Q365 CarbonylContact C-O 3.57Å; K194-Q365 WeakPolarHBondContact CA-O 3.46Å; K194-Q365 WeakPolarHBondContact CB-O 3.43Å; V195-Q365 PolarHBondContact N-O 2.97Å; V195-Q365 PolarHBondContact O-N 2.89Å; T354-Q365 HydrophobicContact CG2-CB 3.51Å; K357-Q365 HydrophobicContact CB-CG 4.49Å; C361-Q365 PolarHBondContact SG-NE2 3.31Å
366N97.8Very high89.7Confident114 Ų11489 Ų8961%0.6145%0.454SS*.EExtended strand (participates in β ladder)trans-75.1139.6173.1-65-39.3000109.9V193V193-N366 WeakPolarHBondContact O-CA 3.32Å
367I96.4Very high87.7Confident26 Ų2690.1 Ų90.113%0.13347%0.466CS..  trans-79.5129177.9-66.8159.2000109A192 V193 V195 V351 T354 V369A192-I367 VanDerWaalsContact C-CD1 3.45Å; A192-I367 HydrophobicContact CB-CD1 3.22Å; A192-I367 WeakPolarHBondContact O-CD1 3.45Å; V193-I367 PolarHBondContact O-N 3.27Å; V195-I367 HydrophobicContact CG1-CD1 3.55Å; V195-I367 HydrophobicContact CG1-CG1 4.03Å; V351-I367 HydrophobicContact CB-CD1 4.5Å; V351-I367 HydrophobicContact CG1-CD1 4.28Å; V351-I367 HydrophobicContact CG2-CD1 3.77Å; V351-I367 HydrophobicContact CG2-CG1 4.35Å; V351-I367 HydrophobicContact CG2-CG2 4.21Å; T354-I367 HydrophobicContact CG2-CG1 4.09Å; I367-V369 HydrophobicContact CG2-CG2 4.3Å
368V93.1Very high85.6Confident115 Ų11589.2 Ų89.270%0.69747%0.472SS*.  trans-120.9110.3172.4-177.40000107.9
369V91.3Very high83.6Confident37 Ų3792.6 Ų92.622%0.22450%0.5CS..  trans-77.8132.7174.7-173.80000108.9L346 Y347 I367 K371L346-V369 HydrophobicContact CD2-CG1 4.35Å; L346-V369 HydrophobicContact CG-CG1 4.27Å; Y347-V369 HydrophobicContact CD2-CG2 3.84Å; I367-V369 HydrophobicContact CG2-CG2 4.3Å; V369-K371 PolarHBondContact O-N 3.37Å
370M89.3Confident81.9Confident48 Ų4891.7 Ų91.724%0.23649%0.493CS..  trans-62.1126.9177.7-172.8175.7-69.500110.3P98 L99 F102 L346 E372 P374P98-M370 HydrophobicContact CB-CE 4.31Å; L99-M370 HydrophobicContact CB-CE 4.16Å; L99-M370 HydrophobicContact CB-SD 4.35Å; L99-M370 HydrophobicContact CD1-SD 4.12Å; F102-M370 HydrophobicContact CB-CG 4.43Å; F102-M370 HydrophobicContact CB-SD 3.63Å; F102-M370 HydrophobicContact CD1-SD 4.37Å; F102-M370 HydrophobicContact CD2-CB 4.37Å; F102-M370 HydrophobicContact CD2-CG 3.89Å; F102-M370 HydrophobicContact CD2-SD 4.13Å; F102-M370 HydrophobicContact CE2-CG 4.43Å; F102-M370 HydrophobicContact CG-CG 4.17Å; F102-M370 HydrophobicContact CG-SD 3.78Å; L346-M370 HydrophobicContact CD1-CB 4.17Å; M370-E372 WeakPolarHBondContact CG-O 3.49Å; M370-P374 HydrophobicContact CE-CG 4.33Å
371K86.8Confident80.2Confident186 Ų18688.4 Ų88.481%0.80948%0.48SS*.  trans-110.9-24177.6-66.1-175.6178.6-178.30113.3F102 V369F102-K371 WeakPolarHBondContact CE2-O 3.21Å; V369-K371 PolarHBondContact O-N 3.37Å
372E84.6Confident78.4Confident160 Ų16090 Ų9075%0.74848%0.483SS*.SBendtrans-134.4151.7-178.4-66.2177-173.200108.8M370 P374M370-E372 WeakPolarHBondContact CG-O 3.49Å; E372-P374 WeakPolarHBondContact O-CD 3.26Å
373E79.8Confident76.7Confident92 Ų9289.1 Ų89.143%0.4347%0.468SS..PPolyproline II helixtrans-67121.3172.5-172.9158-171.300108.4L99 F102 R103 E375L99-E373 HydrophobicContact CD1-CG 3.94Å; F102-E373 HydrophobicContact CD1-CB 4.33Å; F102-E373 HydrophobicContact CE1-CB 3.82Å; R103-E373 IonicContact CZ-OE1 3.81Å; R103-E373 IonicContact NE-OE1 3.3Å; R103-E373 PolarHBondContact NE-OE1 3.01Å; R103-E373 IonicContact NH2-OE1 2.83Å; R103-E373 PolarHBondContact NH2-OE1 3.37Å; E373-E375 PolarHBondContact O-N 3.09Å
374P69.6Low75.2Confident61 Ų6184.3 Ų84.340%0.39645%0.446SS..PPolyproline II helixtrans-61.7141.5178.725.4-32.3000109.5L99 M370 E372 V376L99-P374 HydrophobicContact CD1-CG 4.44Å; L99-P374 HydrophobicContact CD2-CG 4.15Å; M370-P374 HydrophobicContact CE-CG 4.33Å; E372-P374 WeakPolarHBondContact O-CD 3.26Å; P374-V376 PolarHBondContact O-N 2.89Å
375E63.3Low73.4Confident187 Ų18781.9 Ų81.987%0.87445%0.448SS*.PPolyproline II helixtrans-50.3128.5169.1-74.5-170.6168.900108.9E373 S377E373-E375 PolarHBondContact O-N 3.09Å; E375-S377 VanDerWaalsContact C-N 3.32Å; E375-S377 PolarHBondContact O-N 2.98Å
376V59.4Low71.6Confident81 Ų8183.7 Ų83.749%0.49146%0.458SS..  trans-6493.1-171.7-1790000108.9P374 Y380 L381P374-V376 PolarHBondContact O-N 2.89Å; V376-Y380 HydrophobicContact CG1-CD1 4.14Å; V376-L381 HydrophobicContact CG1-CD1 3.92Å; V376-L381 HydrophobicContact CG1-CD2 3.62Å; V376-L381 HydrophobicContact CG1-CG 3.55Å
377S55.3Low70.1Confident54 Ų5479.3 Ų79.338%0.37843%0.433SS..  trans-73.2151.1-179.174.80000110.7E375 A379 Y380 L381E375-S377 VanDerWaalsContact C-N 3.32Å; E375-S377 PolarHBondContact O-N 2.98Å; S377-A379 PolarHBondContact O-N 2.76Å; S377-Y380 WeakPolarHBondContact O-CB 3.43Å; S377-Y380 PolarHBondContact O-N 3.42Å; S377-Y380 PolarHBondContact OG-N 3.19Å; S377-L381 PolarHBondContact O-N 2.92Å; S377-L381 VanDerWaalsContact O-N 3.12Å
378P52Low68.4Low99 Ų9985.4 Ų85.464%0.64345%0.454SS*.Hα-helixtrans-55.2-36.2174.8-26.334.3000113Y380 L381 I382P378-Y380 VanDerWaalsContact C-N 3.32Å; P378-Y380 PolarHBondContact O-N 2.94Å; P378-L381 PolarHBondContact O-N 2.91Å; P378-I382 WeakPolarHBondContact O-CD1 3.19Å; P378-I382 WeakPolarHBondContact O-CG1 3.47Å; P378-I382 PolarHBondContact O-N 2.84Å
379A56.5Low66.7Low70 Ų7082.8 Ų82.858%0.57944%0.44SS*.Hα-helixtrans-64.1-35.9176.500000112.6S377 S383S377-A379 PolarHBondContact O-N 2.76Å; A379-S383 WeakPolarHBondContact O-CB 3.32Å; A379-S383 PolarHBondContact O-N 2.84Å
380Y60.9Low65.1Low33 Ų3385.3 Ų85.313%0.12945%0.446CS..Hα-helixtrans-68.8-45174.4175.6-96.1000111.8L99 R103 V376 S377 P378 I382 S383 E384L99-Y380 HydrophobicContact CD2-CD2 4.02Å; L99-Y380 HydrophobicContact CD2-CE1 3.99Å; L99-Y380 HydrophobicContact CD2-CE2 3.33Å; L99-Y380 VanDerWaalsContact CD2-OH 3.31Å; L99-Y380 WeakPolarHBondContact CD2-OH 3.37Å; L99-Y380 HydrophobicContact CG-CE2 4.38Å; R103-Y380 PolarHBondContact NH1-OH 3.3Å; V376-Y380 HydrophobicContact CG1-CD1 4.14Å; S377-Y380 WeakPolarHBondContact O-CB 3.43Å; S377-Y380 PolarHBondContact O-N 3.42Å; S377-Y380 PolarHBondContact OG-N 3.19Å; P378-Y380 VanDerWaalsContact C-N 3.32Å; P378-Y380 PolarHBondContact O-N 2.94Å; Y380-I382 PolarHBondContact O-N 2.8Å; Y380-S383 CarbonylContact O-C 3.21Å; Y380-S383 WeakPolarHBondContact O-CB 3.36Å; Y380-S383 PolarHBondContact O-N 2.93Å; Y380-S383 VanDerWaalsContact O-N 3.09Å; Y380-E384 HydrophobicContact CE1-CB 4.35Å; Y380-E384 VanDerWaalsContact CE1-OE2 3.25Å; Y380-E384 WeakPolarHBondContact CE1-OE2 3.46Å; Y380-E384 WeakPolarHBondContact O-CB 3.25Å; Y380-E384 PolarHBondContact O-N 3.3Å
381L60.7Low63.6Low92 Ų9285 Ų8548%0.48244%0.444SS..Hα-helixtrans-59.3-39175.9-71.8169.9000111.5V376 S377 P378 A385V376-L381 HydrophobicContact CG1-CD1 3.92Å; V376-L381 HydrophobicContact CG1-CD2 3.62Å; V376-L381 HydrophobicContact CG1-CG 3.55Å; S377-L381 PolarHBondContact O-N 2.92Å; S377-L381 VanDerWaalsContact O-N 3.12Å; P378-L381 PolarHBondContact O-N 2.91Å; L381-A385 WeakPolarHBondContact O-CB 3.33Å; L381-A385 PolarHBondContact O-N 3.04Å
382I59.6Low61.9Low96 Ų9679.8 Ų79.849%0.49243%0.431SS..Hα-helixtrans-65.1-46173.8-66.6163.4000110.5P378 Y380 A385 M386P378-I382 WeakPolarHBondContact O-CD1 3.19Å; P378-I382 WeakPolarHBondContact O-CG1 3.47Å; P378-I382 PolarHBondContact O-N 2.84Å; Y380-I382 PolarHBondContact O-N 2.8Å; I382-A385 PolarHBondContact O-N 2.74Å; I382-M386 HydrophobicContact CG2-CE 3.73Å; I382-M386 HydrophobicContact CG2-CG 4.35Å; I382-M386 HydrophobicContact CG2-SD 4.18Å; I382-M386 VanDerWaalsContact O-CB 3.28Å; I382-M386 WeakPolarHBondContact O-CB 3.44Å; I382-M386 WeakPolarHBondContact O-CG 3.39Å; I382-M386 PolarHBondContact O-N 2.88Å
383S60.6Low59.9Low34 Ų3476.2 Ų76.224%0.23842%0.417CS..Hα-helixtrans-58.1-50.7175.1177.70000111.3A379 Y380 A385 M386 R387A379-S383 WeakPolarHBondContact O-CB 3.32Å; A379-S383 PolarHBondContact O-N 2.84Å; Y380-S383 CarbonylContact O-C 3.21Å; Y380-S383 WeakPolarHBondContact O-CB 3.36Å; Y380-S383 PolarHBondContact O-N 2.93Å; Y380-S383 VanDerWaalsContact O-N 3.09Å; S383-A385 PolarHBondContact O-N 2.94Å; S383-M386 CarbonylContact O-C 3.35Å; S383-M386 WeakPolarHBondContact O-CA 3.19Å; S383-M386 WeakPolarHBondContact O-CB 3.49Å; S383-M386 PolarHBondContact O-N 2.99Å; S383-M386 VanDerWaalsContact O-N 3.14Å; S383-R387 WeakPolarHBondContact O-CG 3.39Å; S383-R387 PolarHBondContact O-N 2.77Å; S383-R387 PolarHBondContact OG-NE 3.12Å; S383-R387 PolarHBondContact OG-NH2 2.86Å
384E65.7Low58.4Low27 Ų2773.6 Ų73.613%0.12640%0.404CS..Hα-helixtrans-62.1-44.4179.7-169.1177.6177.600111.5R77 Y380 M386 R387 R388R77-E384 IonicContact NH2-OE1 3.96Å; Y380-E384 HydrophobicContact CE1-CB 4.35Å; Y380-E384 VanDerWaalsContact CE1-OE2 3.25Å; Y380-E384 WeakPolarHBondContact CE1-OE2 3.46Å; Y380-E384 WeakPolarHBondContact O-CB 3.25Å; Y380-E384 PolarHBondContact O-N 3.3Å; E384-M386 VanDerWaalsContact C-N 3.32Å; E384-M386 PolarHBondContact O-N 3.33Å; E384-R387 PolarHBondContact O-N 3.13Å; E384-R388 WeakPolarHBondContact O-CG 3.39Å; E384-R388 PolarHBondContact O-N 3.48Å; E384-R388 IonicContact OE1-CZ 2.98Å; E384-R388 IonicContact OE1-NE 3.09Å; E384-R388 IonicContact OE1-NH2 2.62Å; E384-R388 PolarHBondContact OE1-NH2 3.2Å
385A59.6Low57Low54 Ų5477.9 Ų77.945%0.44643%0.434SS..Hα-helixtrans-62.3-38.5173.500000111.9L381 I382 S383 R388 S389L381-A385 WeakPolarHBondContact O-CB 3.33Å; L381-A385 PolarHBondContact O-N 3.04Å; I382-A385 PolarHBondContact O-N 2.74Å; S383-A385 PolarHBondContact O-N 2.94Å; A385-R388 PolarHBondContact O-N 2.68Å; A385-S389 WeakPolarHBondContact O-CB 3.44Å; A385-S389 PolarHBondContact O-N 3.25Å; A385-S389 PolarHBondContact O-OG 2.95Å; A385-S389 VanDerWaalsContact O-OG 3.08Å
386M61Low56.6Low92 Ų9272.5 Ų72.545%0.45341%0.412SS..Hα-helixtrans-64.8-38.7173.1-78.2-176179.200111.8I382 S383 E384 S389 R390I382-M386 HydrophobicContact CG2-CE 3.73Å; I382-M386 HydrophobicContact CG2-CG 4.35Å; I382-M386 HydrophobicContact CG2-SD 4.18Å; I382-M386 VanDerWaalsContact O-CB 3.28Å; I382-M386 WeakPolarHBondContact O-CB 3.44Å; I382-M386 WeakPolarHBondContact O-CG 3.39Å; I382-M386 PolarHBondContact O-N 2.88Å; S383-M386 CarbonylContact O-C 3.35Å; S383-M386 WeakPolarHBondContact O-CA 3.19Å; S383-M386 WeakPolarHBondContact O-CB 3.49Å; S383-M386 PolarHBondContact O-N 2.99Å; S383-M386 VanDerWaalsContact O-N 3.14Å; E384-M386 VanDerWaalsContact C-N 3.32Å; E384-M386 PolarHBondContact O-N 3.33Å; M386-S389 WeakPolarHBondContact CA-OG 3.44Å; M386-S389 PolarHBondContact O-OG 3.26Å; M386-R390 WeakPolarHBondContact O-CB 3.3Å; M386-R390 WeakPolarHBondContact O-CG 3.4Å; M386-R390 PolarHBondContact O-N 3.4Å
387R66.4Low56.5Low21 Ų2172 Ų728%0.07941%0.407CS..Hα-helixtrans-67.4-43.4174.4-38.4-164.9-150.3134.312.4110.7T97 D100 M168 S383 E384 S389 R390 M391T97-R387 VanDerWaalsContact CG2-NH1 3.28Å; D100-R387 IonicContact OD2-NH1 3.56Å; D100-R387 PolarHBondContact OD2-NH1 3.27Å; M168-R387 HydrophobicContact CE-CB 3.42Å; M168-R387 VanDerWaalsContact CE-CB 3.42Å; M168-R387 HydrophobicContact CE-CG 3.33Å; M168-R387 HydrophobicContact SD-CB 3.76Å; M168-R387 HydrophobicContact SD-CG 4.29Å; S383-R387 WeakPolarHBondContact O-CG 3.39Å; S383-R387 PolarHBondContact O-N 2.77Å; S383-R387 PolarHBondContact OG-NE 3.12Å; S383-R387 PolarHBondContact OG-NH2 2.86Å; E384-R387 PolarHBondContact O-N 3.13Å; R387-S389 PolarHBondContact O-N 3.49Å; R387-R390 PolarHBondContact O-N 3.03Å; R387-M391 VanDerWaalsContact O-CB 3.28Å; R387-M391 WeakPolarHBondContact O-CB 3.32Å; R387-M391 WeakPolarHBondContact O-CG 3.41Å; R387-M391 PolarHBondContact O-N 2.89Å
388R60.5Low56.6Low155 Ų15573 Ų7359%0.58541%0.409SS*.Hα-helixtrans-62-42.4177.3-70.6-179-172.9-171.86112.3E384 A385 S392E384-R388 WeakPolarHBondContact O-CG 3.39Å; E384-R388 PolarHBondContact O-N 3.48Å; E384-R388 IonicContact OE1-CZ 2.98Å; E384-R388 IonicContact OE1-NE 3.09Å; E384-R388 IonicContact OE1-NH2 2.62Å; E384-R388 PolarHBondContact OE1-NH2 3.2Å; A385-R388 PolarHBondContact O-N 2.68Å; R388-S392 PolarHBondContact O-N 3.26Å
389S57.6Low56.8Low59 Ų5971.5 Ų71.541%0.41340%0.395SS..Hα-helixtrans-74.5-39.2177.966.90000112.7A385 M386 R387 M391 S392 L393A385-S389 WeakPolarHBondContact O-CB 3.44Å; A385-S389 PolarHBondContact O-N 3.25Å; A385-S389 PolarHBondContact O-OG 2.95Å; A385-S389 VanDerWaalsContact O-OG 3.08Å; M386-S389 WeakPolarHBondContact CA-OG 3.44Å; M386-S389 PolarHBondContact O-OG 3.26Å; R387-S389 PolarHBondContact O-N 3.49Å; S389-M391 VanDerWaalsContact C-N 3.31Å; S389-M391 PolarHBondContact O-N 3.41Å; S389-S392 PolarHBondContact O-N 3.37Å; S389-S392 PolarHBondContact O-OG 2.77Å; S389-L393 WeakPolarHBondContact O-CG 3.43Å
390R58.3Low56.8Low91 Ų9171.6 Ų71.634%0.34338%0.384SS..Hα-helixtrans-64.6-36.7172-73.6-176.1-179.5-158.32.2111.3D165 M386 R387 S392 L393 Y394D165-R390 IonicContact OD1-NH1 2.77Å; D165-R390 IonicContact OD2-CZ 3.79Å; D165-R390 IonicContact OD2-NH1 2.62Å; D165-R390 PolarHBondContact OD2-NH1 3.06Å; M386-R390 WeakPolarHBondContact O-CB 3.3Å; M386-R390 WeakPolarHBondContact O-CG 3.4Å; M386-R390 PolarHBondContact O-N 3.4Å; R387-R390 PolarHBondContact O-N 3.03Å; R390-S392 VanDerWaalsContact C-N 3.31Å; R390-S392 PolarHBondContact O-N 3.41Å; R390-L393 CarbonylContact O-C 3.48Å; R390-L393 WeakPolarHBondContact O-CA 3.47Å; R390-L393 VanDerWaalsContact O-CB 3.25Å; R390-L393 WeakPolarHBondContact O-CB 3.3Å; R390-L393 PolarHBondContact O-N 3.45Å; R390-Y394 VanDerWaalsContact C-CE2 3.42Å; R390-Y394 HydrophobicContact CB-CE2 3.82Å; R390-Y394 WeakPolarHBondContact O-CD2 3.22Å; R390-Y394 WeakPolarHBondContact O-CE2 3.38Å; R390-Y394 PolarHBondContact O-N 3.01Å
391M57.1Low56.6Low40 Ų4074.1 Ų74.120%0.19740%0.401CS..Hα-helixtrans-55.4-43.4173.3-83-163.2-28.800112.6R34 P74 L75 R387 S389 L393 Y394R34-M391 PolarHBondContact NH2-O 3.18Å; P74-M391 HydrophobicContact CB-SD 3.97Å; L75-M391 HydrophobicContact CD1-SD 4.22Å; L75-M391 HydrophobicContact CD2-CE 3.33Å; L75-M391 HydrophobicContact CD2-SD 3.43Å; L75-M391 WeakPolarHBondContact CD2-SD 3.48Å; L75-M391 HydrophobicContact CG-CE 4.19Å; L75-M391 HydrophobicContact CG-SD 3.58Å; L75-M391 VanDerWaalsContact CG-SD 3.58Å; R387-M391 VanDerWaalsContact O-CB 3.28Å; R387-M391 WeakPolarHBondContact O-CB 3.32Å; R387-M391 WeakPolarHBondContact O-CG 3.41Å; R387-M391 PolarHBondContact O-N 2.89Å; S389-M391 VanDerWaalsContact C-N 3.31Å; S389-M391 PolarHBondContact O-N 3.41Å; M391-L393 PolarHBondContact O-N 3.3Å; M391-L393 VanDerWaalsContact O-N 3.13Å; M391-Y394 PolarHBondContact O-N 3.21Å
392S51.8Low56.3Low77 Ų7772.9 Ų72.954%0.53840%0.395SS..THydrogen-bonded Turntrans-65.1-14.9176.184.30000113.4R388 S389 R390R388-S392 PolarHBondContact O-N 3.26Å; S389-S392 PolarHBondContact O-N 3.37Å; S389-S392 PolarHBondContact O-OG 2.77Å; R390-S392 VanDerWaalsContact C-N 3.31Å; R390-S392 PolarHBondContact O-N 3.41Å
393L41.9Very low56Low86 Ų8671.1 Ų71.145%0.4539%0.388SS..THydrogen-bonded Turntrans-100.3-3.7-177-69.5169000114.3R213 S389 R390 M391R213-L393 PolarHBondContact NH1-O 3.36Å; S389-L393 WeakPolarHBondContact O-CG 3.43Å; R390-L393 CarbonylContact O-C 3.48Å; R390-L393 WeakPolarHBondContact O-CA 3.47Å; R390-L393 VanDerWaalsContact O-CB 3.25Å; R390-L393 WeakPolarHBondContact O-CB 3.3Å; R390-L393 PolarHBondContact O-N 3.45Å; M391-L393 PolarHBondContact O-N 3.3Å; M391-L393 VanDerWaalsContact O-N 3.13Å
394Y48.8Very low55.7Low36 Ų3674.2 Ų74.214%0.14140%0.4CS..  trans-94.224.6167.1-54-89.1000111.5R34 Y160 N161 D165 M168 R390 M391R34-Y394 PolarHBondContact NH1-O 2.84Å; Y160-Y394 AromaticContact CD1-CD1 3.56Å; Y160-Y394 HydrophobicContact CD1-CD1 3.56Å; Y160-Y394 AromaticContact CD1-CE1 3.44Å; Y160-Y394 HydrophobicContact CD1-CE1 3.44Å; Y160-Y394 VanDerWaalsContact CD1-CE1 3.44Å; Y160-Y394 AromaticContact CE1-CD1 3.79Å; Y160-Y394 HydrophobicContact CE1-CD1 3.79Å; Y160-Y394 AromaticContact CE1-CE1 3.15Å; Y160-Y394 HydrophobicContact CE1-CE1 3.15Å; Y160-Y394 AromaticContact CE1-CZ 4Å; N161-Y394 VanDerWaalsContact C-CE1 3.42Å; N161-Y394 VanDerWaalsContact CA-CD1 3.45Å; N161-Y394 VanDerWaalsContact O-CE1 3.23Å; N161-Y394 WeakPolarHBondContact O-CE1 3.39Å; D165-Y394 VanDerWaalsContact CB-OH 3.26Å; D165-Y394 WeakPolarHBondContact CB-OH 3.39Å; D165-Y394 PolarHBondContact OD2-OH 3.49Å; M168-Y394 HydrophobicContact CG-CE2 4.13Å; M168-Y394 WeakPolarHBondContact CG-OH 3.48Å; M168-Y394 HydrophobicContact SD-CE2 4.43Å; R390-Y394 VanDerWaalsContact C-CE2 3.42Å; R390-Y394 HydrophobicContact CB-CE2 3.82Å; R390-Y394 WeakPolarHBondContact O-CD2 3.22Å; R390-Y394 WeakPolarHBondContact O-CE2 3.38Å; R390-Y394 PolarHBondContact O-N 3.01Å; M391-Y394 PolarHBondContact O-N 3.21Å
395C39.1Very low54.7Low152 Ų15278.5 Ų78.5100%1.02743%0.425SS*.  trans-89.30169.1-66.40000109.2R34R34-C395 PolarHBondContact NH2-SG 2.81Å

Retrieved 395 of 395 residues in 105.8 ms (Link to these results)

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