A0A087Y678_POEFO Loading...

Organic solute carrier partner 1

AlphaFold DB , UniProt , Accession A0A087Y678, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1M73Confident92.7Very high133 Ų13329.2 Ų29.266%0.65515%0.145SC*.  0149.30-69.1-74.4-11300108T161 I164M1-T161 HydrophobicContact CB-CG2 4.44Å; M1-T161 HydrophobicContact CE-CG2 4.14Å; M1-T161 HydrophobicContact SD-CG2 3.99Å; M1-I164 HydrophobicContact CE-CB 4.13Å; M1-I164 HydrophobicContact CE-CD1 4.02Å; M1-I164 HydrophobicContact CE-CG2 3.71Å; M1-I164 HydrophobicContact SD-CD1 3.63Å
2S86.7Confident93.2Very high21 Ų2126.8 Ų26.815%0.14713%0.133CC..  trans-83.4130.8177.8172.50000111.1R4 T5 M158 T161S2-R4 VanDerWaalsContact C-N 3.28Å; S2-R4 PolarHBondContact O-N 2.96Å; S2-R4 PolarHBondContact OG-N 3.18Å; S2-T5 WeakPolarHBondContact CB-OG1 2.92Å; S2-T5 PolarHBondContact O-OG1 2.8Å; S2-M158 WeakPolarHBondContact OG-CG 3.47Å; S2-T161 PolarHBondContact N-OG1 3.4Å
3T88.9Confident93.6Very high63 Ų6324.7 Ų24.739%0.38712%0.123SC..THydrogen-bonded Turntrans-83.61.6178.254.90000113.8P58 Q59T3-P58 CarbonylContact O-C 3.59Å; T3-P58 VanDerWaalsContact O-CA 3.3Å; T3-P58 WeakPolarHBondContact O-CA 3.36Å; T3-Q59 CarbonylContact C-O 3.5Å; T3-Q59 VanDerWaalsContact C-O 3.31Å; T3-Q59 VanDerWaalsContact CA-O 3.25Å; T3-Q59 WeakPolarHBondContact CA-O 3.41Å; T3-Q59 PolarHBondContact O-N 2.75Å
4R93.4Very high93.9Very high95 Ų9522.9 Ų22.936%0.35811%0.114SC..THydrogen-bonded Turntrans-111.620.6177.8-59.3-176.7-175.9173.81112.1S2 Y147 M158S2-R4 VanDerWaalsContact C-N 3.28Å; S2-R4 PolarHBondContact O-N 2.96Å; S2-R4 PolarHBondContact OG-N 3.18Å; R4-Y147 HydrophobicContact CB-CE1 4.34Å; R4-Y147 WeakPolarHBondContact O-CE1 3.4Å; R4-Y147 PolarHBondContact O-OH 3.38Å; R4-M158 HydrophobicContact CB-SD 4.33Å
5T96.1Very high94.1Very high0 Ų021.5 Ų21.50%011%0.108CC..  trans-87.7-27.5-175-48.60000112.3S2 L8 L9 L61 T161 L162S2-T5 WeakPolarHBondContact CB-OG1 2.92Å; S2-T5 PolarHBondContact O-OG1 2.8Å; T5-L8 PolarHBondContact O-N 2.75Å; T5-L9 PolarHBondContact O-N 2.92Å; T5-L61 HydrophobicContact CG2-CD1 4.37Å; T5-L61 HydrophobicContact CG2-CD2 4.06Å; T5-T161 HydrophobicContact CG2-CG2 4.05Å; T5-L162 HydrophobicContact CG2-CD1 4.39Å; T5-L162 HydrophobicContact CG2-CD2 3.58Å; T5-L162 HydrophobicContact CG2-CG 3.57Å
6L95.4Very high94.4Very high1 Ų120.2 Ų20.21%0.00510%0.101CC..Hα-helixtrans-61.7-43.4-170.7-17665.3000114.1L8 L9 F10 L55 Q59 L61 Y62L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.45Å; L6-L9 PolarHBondContact O-N 3.36Å; L6-F10 WeakPolarHBondContact O-CB 3.44Å; L6-F10 PolarHBondContact O-N 2.9Å; L6-L55 HydrophobicContact CD2-CD1 3.86Å; L6-L55 HydrophobicContact CG-CD1 3.79Å; L6-Q59 HydrophobicContact CD2-CG 3.71Å; L6-L61 HydrophobicContact CB-CD2 3.92Å; L6-L61 HydrophobicContact CD1-CD2 4.01Å; L6-Y62 HydrophobicContact CD1-CD2 3.99Å; L6-Y62 HydrophobicContact CD1-CE2 4.17Å; L6-Y62 HydrophobicContact CD1-CG 4.35Å; L6-Y62 HydrophobicContact CD2-CD1 4.44Å; L6-Y62 HydrophobicContact CD2-CD2 4.28Å; L6-Y62 HydrophobicContact CD2-CE1 3.91Å; L6-Y62 HydrophobicContact CD2-CE2 3.73Å
7P96.6Very high94.5Very high3 Ų319.1 Ų19.12%0.01910%0.095CC..Hα-helixtrans-61.2-41177.8-22.432.7000112.4F10 I11 L55 F56 Y147P7-F10 PolarHBondContact O-N 3.28Å; P7-I11 WeakPolarHBondContact O-CB 3.32Å; P7-I11 VanDerWaalsContact O-CG1 3.29Å; P7-I11 WeakPolarHBondContact O-CG1 3.29Å; P7-I11 PolarHBondContact O-N 3.41Å; P7-L55 HydrophobicContact CB-CD2 4.47Å; P7-L55 HydrophobicContact CG-CG 4.49Å; P7-F56 HydrophobicContact CB-CD2 4.26Å; P7-F56 HydrophobicContact CB-CE1 4.33Å; P7-F56 HydrophobicContact CB-CE2 4.05Å; P7-F56 HydrophobicContact CB-CZ 4.09Å; P7-F56 HydrophobicContact CG-CD1 4.47Å; P7-F56 HydrophobicContact CG-CD2 4.33Å; P7-F56 HydrophobicContact CG-CG 4.26Å; P7-Y147 WeakPolarHBondContact CB-OH 3.27Å; P7-Y147 WeakPolarHBondContact CG-OH 3.25Å
8L97.4Very high94.7Very high1 Ų118 Ų181%0.0059%0.09CC..Hα-helixtrans-62.1-48.5175-59.8178.9000110.5T5 L6 F10 N12 I111 L112 Y147 M158T5-L8 PolarHBondContact O-N 2.75Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.45Å; L8-F10 PolarHBondContact O-N 2.81Å; L8-N12 WeakPolarHBondContact O-CB 3.46Å; L8-N12 PolarHBondContact O-N 2.72Å; L8-N12 PolarHBondContact O-ND2 3.35Å; L8-I111 HydrophobicContact CD1-CG2 4.29Å; L8-L112 HydrophobicContact CD2-CD1 4.46Å; L8-Y147 HydrophobicContact CD1-CD1 4.23Å; L8-Y147 HydrophobicContact CD1-CE1 3.77Å; L8-Y147 HydrophobicContact CD2-CD1 4.48Å; L8-Y147 HydrophobicContact CD2-CD2 4.15Å; L8-Y147 HydrophobicContact CD2-CE1 4.14Å; L8-Y147 HydrophobicContact CD2-CE2 3.83Å; L8-Y147 HydrophobicContact CG-CE1 3.83Å; L8-Y147 HydrophobicContact CG-CE2 4.2Å; L8-M158 HydrophobicContact CD1-SD 4.01Å
9L97.6Very high94.8Very high1 Ų117.5 Ų17.51%0.0059%0.087CC..Hα-helixtrans-58.6-47.6179.6-179.860.7000111.9T5 L6 L13 L61 L67 F98 L162 F165 F166T5-L9 PolarHBondContact O-N 2.92Å; L6-L9 PolarHBondContact O-N 3.36Å; L9-L13 HydrophobicContact CD1-CD1 3.69Å; L9-L13 HydrophobicContact CD1-CG 4.07Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 WeakPolarHBondContact O-CB 3.25Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 2.81Å; L9-L13 VanDerWaalsContact O-N 3.1Å; L9-L61 HydrophobicContact CB-CD2 4.41Å; L9-L61 HydrophobicContact CD2-CD1 4.07Å; L9-L61 HydrophobicContact CD2-CD2 3.88Å; L9-L67 HydrophobicContact CD2-CD2 3.66Å; L9-L67 HydrophobicContact CG-CD2 4.02Å; L9-F98 HydrophobicContact CD1-CD1 4.07Å; L9-F98 HydrophobicContact CD1-CE1 3.9Å; L9-L162 HydrophobicContact CB-CD2 3.97Å; L9-L162 HydrophobicContact CD1-CD2 3.95Å; L9-L162 HydrophobicContact CG-CD2 4.44Å; L9-F165 HydrophobicContact CD1-CD1 4.11Å; L9-F165 HydrophobicContact CD1-CE1 4.08Å; L9-F165 HydrophobicContact CD2-CD1 4.12Å; L9-F165 HydrophobicContact CD2-CD2 4.13Å; L9-F165 HydrophobicContact CD2-CE1 4.06Å; L9-F165 HydrophobicContact CD2-CE2 4.06Å; L9-F165 HydrophobicContact CD2-CG 4.17Å; L9-F165 HydrophobicContact CD2-CZ 4.04Å; L9-F166 HydrophobicContact CD1-CE2 4.26Å; L9-F166 HydrophobicContact CD1-CZ 3.68Å
10F97.3Very high94.8Very high2 Ų217 Ų171%0.0098%0.084CC..Hα-helixtrans-65.2-48.3-178-179-96.2000112.2L6 P7 L8 L13 G14 M46 F51 L55 V70 F71 L74L6-F10 WeakPolarHBondContact O-CB 3.44Å; L6-F10 PolarHBondContact O-N 2.9Å; P7-F10 PolarHBondContact O-N 3.28Å; L8-F10 PolarHBondContact O-N 2.81Å; F10-L13 PolarHBondContact O-N 3.18Å; F10-G14 PolarHBondContact O-N 3.07Å; F10-M46 HydrophobicContact CD1-CE 4.22Å; F10-M46 HydrophobicContact CE1-CE 3.91Å; F10-M46 HydrophobicContact CE1-CG 3.59Å; F10-M46 HydrophobicContact CZ-CG 3.91Å; F10-F51 HydrophobicContact CD1-CE1 4.1Å; F10-F51 HydrophobicContact CD1-CZ 4.36Å; F10-F51 HydrophobicContact CD2-CZ 4.17Å; F10-F51 AromaticContact CE1-CE1 3.43Å; F10-F51 HydrophobicContact CE1-CE1 3.43Å; F10-F51 VanDerWaalsContact CE1-CE1 3.43Å; F10-F51 AromaticContact CE1-CZ 3.82Å; F10-F51 HydrophobicContact CE1-CZ 3.82Å; F10-F51 HydrophobicContact CE2-CE1 4.1Å; F10-F51 AromaticContact CE2-CZ 3.61Å; F10-F51 HydrophobicContact CE2-CZ 3.61Å; F10-F51 AromaticContact CZ-CE1 3.42Å; F10-F51 HydrophobicContact CZ-CE1 3.42Å; F10-F51 VanDerWaalsContact CZ-CE1 3.42Å; F10-F51 AromaticContact CZ-CZ 3.4Å; F10-F51 HydrophobicContact CZ-CZ 3.4Å; F10-F51 VanDerWaalsContact CZ-CZ 3.4Å; F10-L55 HydrophobicContact CB-CD1 4.05Å; F10-L55 HydrophobicContact CB-CD2 4.08Å; F10-L55 HydrophobicContact CD1-CD2 3.6Å; F10-L55 HydrophobicContact CE1-CD2 4.33Å; F10-L55 HydrophobicContact CG-CD1 4.15Å; F10-L55 HydrophobicContact CG-CD2 3.99Å; F10-V70 HydrophobicContact CE2-CG1 3.79Å; F10-F71 HydrophobicContact CD2-CE1 4.47Å; F10-F71 HydrophobicContact CD2-CE2 4.21Å; F10-F71 AromaticContact CD2-CZ 3.8Å; F10-F71 HydrophobicContact CD2-CZ 3.8Å; F10-F71 HydrophobicContact CE2-CE1 4.24Å; F10-F71 AromaticContact CE2-CZ 4Å; F10-F71 HydrophobicContact CE2-CZ 4Å; F10-F71 HydrophobicContact CG-CZ 4.47Å; F10-L74 HydrophobicContact CZ-CD2 4.23Å
11I97.8Very high94.7Very high1 Ų116.1 Ų16.11%0.0058%0.08CC..Hα-helixtrans-66.7-43.1-176.7-68.8172000111.4P7 G14 G15 F56 M119 T139 L143P7-I11 WeakPolarHBondContact O-CB 3.32Å; P7-I11 VanDerWaalsContact O-CG1 3.29Å; P7-I11 WeakPolarHBondContact O-CG1 3.29Å; P7-I11 PolarHBondContact O-N 3.41Å; I11-G14 PolarHBondContact O-N 3.48Å; I11-G15 PolarHBondContact O-N 3.08Å; I11-F56 HydrophobicContact CD1-CE2 4.47Å; I11-F56 HydrophobicContact CD1-CZ 4.26Å; I11-M119 HydrophobicContact CG2-CG 4.11Å; I11-M119 HydrophobicContact CG2-SD 3.66Å; I11-T139 HydrophobicContact CD1-CG2 4.23Å; I11-L143 HydrophobicContact CD1-CD1 3.79Å; I11-L143 HydrophobicContact CD1-CD2 3.86Å; I11-L143 HydrophobicContact CD1-CG 4.11Å
12N98.3Very high95.7Very high0 Ų010.6 Ų10.60%05%0.053CC..Hα-helixtrans-66.9-42.4178.7-72.6-81.4000111.6L8 G15 E16 F98 V114 S115 H118L8-N12 WeakPolarHBondContact O-CB 3.46Å; L8-N12 PolarHBondContact O-N 2.72Å; L8-N12 PolarHBondContact O-ND2 3.35Å; N12-G15 PolarHBondContact O-N 3.21Å; N12-E16 WeakPolarHBondContact O-CG 3.49Å; N12-E16 PolarHBondContact O-N 3.06Å; N12-F98 HydrophobicContact CB-CD1 3.83Å; N12-F98 HydrophobicContact CB-CD2 3.48Å; N12-F98 VanDerWaalsContact CB-CD2 3.48Å; N12-F98 HydrophobicContact CB-CE1 3.7Å; N12-F98 HydrophobicContact CB-CE2 3.29Å; N12-F98 HydrophobicContact CB-CG 3.78Å; N12-F98 HydrophobicContact CB-CZ 3.43Å; N12-F98 VanDerWaalsContact CB-CZ 3.43Å; N12-F98 VanDerWaalsContact CG-CZ 3.45Å; N12-F98 WeakPolarHBondContact ND2-CZ 3.48Å; N12-F98 WeakPolarHBondContact OD1-CE2 3.39Å; N12-V114 WeakPolarHBondContact OD1-CG1 3.37Å; N12-S115 PolarHBondContact ND2-OG 3.26Å; N12-S115 VanDerWaalsContact OD1-CA 3.31Å; N12-S115 WeakPolarHBondContact OD1-CA 2.93Å; N12-S115 PolarHBondContact OD1-N 3.1Å; N12-S115 PolarHBondContact OD1-OG 2.77Å; N12-H118 PolarHBondContact OD1-CE1 3.2Å; N12-H118 PolarHBondContact OD1-ND1 3.28Å
13L98.1Very high95.9Very high0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-64.3-41.5175.2-71.9177.7000111.5L9 F10 G15 E16 M17 L67 F71 M94 T95 F98L9-L13 HydrophobicContact CD1-CD1 3.69Å; L9-L13 HydrophobicContact CD1-CG 4.07Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 WeakPolarHBondContact O-CB 3.25Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 2.81Å; L9-L13 VanDerWaalsContact O-N 3.1Å; F10-L13 PolarHBondContact O-N 3.18Å; L13-G15 VanDerWaalsContact C-N 3.35Å; L13-E16 PolarHBondContact O-N 3.31Å; L13-M17 PolarHBondContact O-N 3.17Å; L13-L67 HydrophobicContact CD1-CD2 3.69Å; L13-F71 HydrophobicContact CB-CE1 4.15Å; L13-F71 HydrophobicContact CB-CE2 3.72Å; L13-F71 HydrophobicContact CB-CZ 3.4Å; L13-F71 HydrophobicContact CD1-CE2 3.77Å; L13-F71 HydrophobicContact CD1-CZ 4.31Å; L13-F71 HydrophobicContact CG-CE2 4.43Å; L13-M94 HydrophobicContact CB-CE 4.11Å; L13-M94 HydrophobicContact CD2-CB 4.11Å; L13-M94 WeakPolarHBondContact O-CE 3.41Å; L13-T95 HydrophobicContact CD2-CG2 4.04Å; L13-F98 HydrophobicContact CD2-CB 4.05Å; L13-F98 HydrophobicContact CD2-CD1 4.24Å; L13-F98 HydrophobicContact CG-CD1 4.32Å
14G97.6Very high96Very high0 Ų011.9 Ų11.90%05%0.05CC..Hα-helixtrans-63.7-38.817500000112.8F10 I11 M17 L18F10-G14 PolarHBondContact O-N 3.07Å; I11-G14 PolarHBondContact O-N 3.48Å; G14-M17 WeakPolarHBondContact O-CB 2.97Å; G14-M17 PolarHBondContact O-N 2.97Å; G14-L18 VanDerWaalsContact O-CG 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.37Å; G14-L18 PolarHBondContact O-N 3.22Å
15G97.8Very high95.8Very high2 Ų27.5 Ų7.52%0.0213%0.033CC..Hα-helixtrans-60.5-46.417200000112.5I11 N12 L13 M17 L18 Y19I11-G15 PolarHBondContact O-N 3.08Å; N12-G15 PolarHBondContact O-N 3.21Å; L13-G15 VanDerWaalsContact C-N 3.35Å; G15-M17 VanDerWaalsContact C-N 3.33Å; G15-M17 PolarHBondContact O-N 2.81Å; G15-L18 PolarHBondContact O-N 3.3Å; G15-Y19 WeakPolarHBondContact O-CD2 3.33Å; G15-Y19 PolarHBondContact O-N 2.75Å
16E97.8Very high95.5Very high0 Ų014.8 Ų14.80%06%0.061CC..Hα-helixtrans-60.5-41.6173.4-70.3-57.5136.200112.2N12 L13 L18 Y19 I20 M94 A97 F98 Q101 H118 Y251N12-E16 WeakPolarHBondContact O-CG 3.49Å; N12-E16 PolarHBondContact O-N 3.06Å; L13-E16 PolarHBondContact O-N 3.31Å; E16-L18 PolarHBondContact O-N 2.88Å; E16-Y19 PolarHBondContact O-N 3.33Å; E16-I20 WeakPolarHBondContact O-CD1 3.32Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.47Å; E16-I20 PolarHBondContact O-N 3.03Å; E16-M94 HydrophobicContact CB-CB 4.15Å; E16-M94 HydrophobicContact CB-CG 4.11Å; E16-A97 HydrophobicContact CG-CB 4.22Å; E16-A97 WeakPolarHBondContact OE2-CB 3.49Å; E16-F98 HydrophobicContact CG-CB 4.44Å; E16-Q101 PolarHBondContact OE1-NE2 3.44Å; E16-H118 IonicContact OE1-CD2 3.76Å; E16-H118 IonicContact OE1-CE1 2.68Å; E16-H118 IonicContact OE1-NE2 3.03Å; E16-H118 PolarHBondContact OE1-NE2 3.03Å; E16-Y251 WeakPolarHBondContact OE2-CE2 3.32Å; E16-Y251 PolarHBondContact OE2-OH 3.4Å; E16-Y251 VanDerWaalsContact OE2-OH 3.06Å
17M97.1Very high95Very high1 Ų118.1 Ų18.11%0.0059%0.088CC..Hα-helixtrans-58.3-49.1176.4-169.4-176.86400110.8L13 G14 G15 Y19 I20 L21 I42 F71 L74 A75 L90 M94L13-M17 PolarHBondContact O-N 3.17Å; G14-M17 WeakPolarHBondContact O-CB 2.97Å; G14-M17 PolarHBondContact O-N 2.97Å; G15-M17 VanDerWaalsContact C-N 3.33Å; G15-M17 PolarHBondContact O-N 2.81Å; M17-Y19 VanDerWaalsContact C-N 3.35Å; M17-Y19 PolarHBondContact O-N 2.69Å; M17-I20 PolarHBondContact O-N 3.28Å; M17-L21 HydrophobicContact CG-CD1 3.98Å; M17-L21 HydrophobicContact CG-CG 4.34Å; M17-L21 WeakPolarHBondContact O-CB 3.29Å; M17-L21 VanDerWaalsContact O-CG 3.28Å; M17-L21 WeakPolarHBondContact O-CG 3.22Å; M17-L21 PolarHBondContact O-N 3.34Å; M17-I42 HydrophobicContact CE-CG2 3.58Å; M17-F71 HydrophobicContact CE-CD1 4.46Å; M17-F71 HydrophobicContact SD-CD1 3.91Å; M17-L74 HydrophobicContact CE-CD2 3.54Å; M17-L74 HydrophobicContact CE-CG 3.91Å; M17-A75 HydrophobicContact SD-CB 4.24Å; M17-L90 HydrophobicContact CG-CD1 4.23Å; M17-L90 HydrophobicContact CG-CD2 4.06Å; M17-L90 HydrophobicContact CG-CG 4.35Å; M17-M94 HydrophobicContact CB-CE 3.79Å; M17-M94 HydrophobicContact CB-CG 4.07Å; M17-M94 HydrophobicContact CB-SD 3.56Å; M17-M94 VanDerWaalsContact CB-SD 3.56Å; M17-M94 HydrophobicContact CG-CE 4.25Å; M17-M94 HydrophobicContact CG-SD 3.71Å; M17-M94 HydrophobicContact SD-CE 4.47Å; M17-M94 HydrophobicContact SD-SD 4.44Å
18L97.3Very high94.5Very high0 Ų021.3 Ų21.30%010%0.103CC..Hα-helixtrans-63.5-39.3-179.8-69.7169.5000111.8G14 G15 E16 L21 D22 M39 I42 I43 M46 I122 F125G14-L18 VanDerWaalsContact O-CG 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.37Å; G14-L18 PolarHBondContact O-N 3.22Å; G15-L18 PolarHBondContact O-N 3.3Å; E16-L18 PolarHBondContact O-N 2.88Å; L18-L21 PolarHBondContact O-N 3.11Å; L18-D22 WeakPolarHBondContact O-CB 3.41Å; L18-D22 PolarHBondContact O-N 2.74Å; L18-M39 HydrophobicContact CB-CE 3.9Å; L18-M39 HydrophobicContact CD2-CE 3.65Å; L18-M39 HydrophobicContact CD2-SD 4.12Å; L18-M39 HydrophobicContact CG-CE 4.34Å; L18-I42 HydrophobicContact CD2-CB 4.35Å; L18-I42 HydrophobicContact CD2-CG2 3.78Å; L18-I43 HydrophobicContact CD1-CD1 4.12Å; L18-I43 HydrophobicContact CD1-CG1 3.72Å; L18-I43 HydrophobicContact CD2-CD1 4.23Å; L18-I43 HydrophobicContact CD2-CG1 3.8Å; L18-I43 HydrophobicContact CG-CG1 4.45Å; L18-M46 HydrophobicContact CD1-SD 4.28Å; L18-I122 HydrophobicContact CD1-CD1 4.02Å; L18-I122 HydrophobicContact CD1-CG1 3.71Å; L18-F125 HydrophobicContact CB-CD2 4.38Å; L18-F125 HydrophobicContact CB-CE2 3.94Å
19Y96.6Very high94Very high9 Ų928.1 Ų28.14%0.03514%0.139CC..Hα-helixtrans-60.4-46.3172.5-69.7-33000112.7G15 E16 M17 Q23 H118 A121 F125 G247 N249G15-Y19 WeakPolarHBondContact O-CD2 3.33Å; G15-Y19 PolarHBondContact O-N 2.75Å; E16-Y19 PolarHBondContact O-N 3.33Å; M17-Y19 VanDerWaalsContact C-N 3.35Å; M17-Y19 PolarHBondContact O-N 2.69Å; Y19-Q23 WeakPolarHBondContact O-CG 3.46Å; Y19-Q23 PolarHBondContact O-N 2.95Å; Y19-H118 AromaticContact CE2-CD2 3.46Å; Y19-H118 VanDerWaalsContact CE2-CD2 3.46Å; Y19-H118 WeakPolarHBondContact CE2-CD2 3.3Å; Y19-H118 AromaticContact CE2-NE2 3.81Å; Y19-A121 HydrophobicContact CE1-CB 3.47Å; Y19-A121 VanDerWaalsContact CE1-CB 3.47Å; Y19-A121 WeakPolarHBondContact OH-CB 3.33Å; Y19-F125 HydrophobicContact CD1-CE2 4.22Å; Y19-F125 HydrophobicContact CD1-CZ 4.06Å; Y19-F125 HydrophobicContact CE1-CE2 4.44Å; Y19-F125 HydrophobicContact CE1-CZ 4.45Å; Y19-G247 WeakPolarHBondContact CE2-O 3.11Å; Y19-G247 PolarHBondContact OH-O 3.22Å; Y19-N249 HydrophobicContact CD1-CB 3.63Å; Y19-N249 HydrophobicContact CD2-CB 4.27Å; Y19-N249 HydrophobicContact CE1-CB 3.66Å; Y19-N249 HydrophobicContact CE2-CB 4.32Å; Y19-N249 HydrophobicContact CG-CB 3.94Å
20I94.6Very high93.6Very high6 Ų629.8 Ų29.83%0.03115%0.148CC..Hα-helixtrans-65.3-45.4-179.3-65.5159.5000110E16 M17 Q23 R24 L90 L93 M94 Y251E16-I20 WeakPolarHBondContact O-CD1 3.32Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.47Å; E16-I20 PolarHBondContact O-N 3.03Å; M17-I20 PolarHBondContact O-N 3.28Å; I20-Q23 PolarHBondContact O-N 3.44Å; I20-R24 HydrophobicContact CG2-CG 4.36Å; I20-R24 WeakPolarHBondContact O-CB 3.44Å; I20-R24 WeakPolarHBondContact O-CG 3.39Å; I20-R24 PolarHBondContact O-N 2.8Å; I20-L90 HydrophobicContact CB-CD1 3.86Å; I20-L90 HydrophobicContact CD1-CD1 3.99Å; I20-L90 HydrophobicContact CG2-CD1 3.57Å; I20-L93 HydrophobicContact CD1-CB 3.65Å; I20-L93 HydrophobicContact CD1-CD1 4.43Å; I20-L93 HydrophobicContact CG2-CD1 4.45Å; I20-M94 HydrophobicContact CD1-CG 3.81Å; I20-Y251 HydrophobicContact CD1-CE2 4.38Å; I20-Y251 HydrophobicContact CG1-CD1 4.49Å; I20-Y251 HydrophobicContact CG1-CD2 4.18Å; I20-Y251 HydrophobicContact CG1-CE1 3.99Å; I20-Y251 HydrophobicContact CG1-CE2 3.65Å
21L94.4Very high93.4Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-64.8-46-179.5-68.5-178.6000112.1M17 L18 Q23 R24 L25 M39 I42 M80 L82 L90 L312M17-L21 HydrophobicContact CG-CD1 3.98Å; M17-L21 HydrophobicContact CG-CG 4.34Å; M17-L21 WeakPolarHBondContact O-CB 3.29Å; M17-L21 VanDerWaalsContact O-CG 3.28Å; M17-L21 WeakPolarHBondContact O-CG 3.22Å; M17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 3.11Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.07Å; L21-R24 PolarHBondContact O-N 2.89Å; L21-R24 VanDerWaalsContact O-N 3.14Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.4Å; L21-L25 PolarHBondContact O-N 2.84Å; L21-M39 HydrophobicContact CB-SD 4.42Å; L21-I42 HydrophobicContact CD1-CD1 3.59Å; L21-M80 HydrophobicContact CD1-CE 3.98Å; L21-M80 HydrophobicContact CD2-CE 3.73Å; L21-M80 HydrophobicContact CD2-SD 4.3Å; L21-M80 HydrophobicContact CG-CE 4.46Å; L21-L82 HydrophobicContact CD2-CD1 4.29Å; L21-L90 HydrophobicContact CD2-CD1 4.45Å; L21-L90 HydrophobicContact CD2-CD2 4.16Å; L21-L312 HydrophobicContact CD2-CD1 4.34Å; L21-L312 HydrophobicContact CD2-CD2 3.87Å
22D94Very high93Very high17 Ų1737 Ų379%0.09120%0.202CC..Hα-helixtrans-56.6-46.5176.7173.965.3000111.4L18 R24 R26 M39 F125L18-D22 WeakPolarHBondContact O-CB 3.41Å; L18-D22 PolarHBondContact O-N 2.74Å; D22-R24 VanDerWaalsContact C-N 3.33Å; D22-R24 PolarHBondContact O-N 2.85Å; D22-R26 VanDerWaalsContact CG-NE 3.3Å; D22-R26 VanDerWaalsContact O-CG 3.26Å; D22-R26 WeakPolarHBondContact O-CG 3.31Å; D22-R26 PolarHBondContact O-N 2.97Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.52Å; D22-R26 IonicContact OD1-NE 3.34Å; D22-R26 PolarHBondContact OD1-NE 3.23Å; D22-R26 IonicContact OD1-NH2 2.97Å; D22-R26 PolarHBondContact OD1-NH2 3.44Å; D22-R26 IonicContact OD2-CZ 4Å; D22-R26 IonicContact OD2-NE 2.69Å; D22-R26 PolarHBondContact OD2-NE 3.08Å; D22-R26 IonicContact OD2-NH2 2.77Å; D22-R26 PolarHBondContact OD2-NH2 3.2Å; D22-M39 HydrophobicContact CB-CE 4.05Å; D22-M39 HydrophobicContact CB-SD 4.38Å; D22-F125 HydrophobicContact CB-CE1 3.93Å; D22-F125 HydrophobicContact CB-CZ 4.01Å
23Q90.7Very high92.6Very high36 Ų3643.5 Ų43.517%0.16824%0.236CC..Hα-helixtrans-64.8-37.2178.4-66.8-60.3-18.600112.6Y19 I20 L21 A27 N249 S252Y19-Q23 WeakPolarHBondContact O-CG 3.46Å; Y19-Q23 PolarHBondContact O-N 2.95Å; I20-Q23 PolarHBondContact O-N 3.44Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.07Å; Q23-A27 VanDerWaalsContact O-CB 3.32Å; Q23-A27 WeakPolarHBondContact O-CB 3.45Å; Q23-A27 PolarHBondContact O-N 2.87Å; Q23-N249 PolarHBondContact NE2-ND2 2.92Å; Q23-S252 PolarHBondContact NE2-OG 3.2Å
24R89.3Confident92.3Very high75 Ų7549.3 Ų49.328%0.28326%0.262SS..Hα-helixtrans-73.4-40.6-179.6-69-68.7-175179.7-0.3112.5I20 L21 D22 R26 A27 Q28 L312 F313I20-R24 HydrophobicContact CG2-CG 4.36Å; I20-R24 WeakPolarHBondContact O-CB 3.44Å; I20-R24 WeakPolarHBondContact O-CG 3.39Å; I20-R24 PolarHBondContact O-N 2.8Å; L21-R24 PolarHBondContact O-N 2.89Å; L21-R24 VanDerWaalsContact O-N 3.14Å; D22-R24 VanDerWaalsContact C-N 3.33Å; D22-R24 PolarHBondContact O-N 2.85Å; R24-R26 VanDerWaalsContact C-N 3.28Å; R24-R26 PolarHBondContact O-N 3.46Å; R24-A27 PolarHBondContact O-N 2.7Å; R24-Q28 WeakPolarHBondContact O-CG 3.15Å; R24-Q28 PolarHBondContact O-N 2.98Å; R24-L312 HydrophobicContact CB-CD2 3.55Å; R24-L312 WeakPolarHBondContact CD-O 3.3Å; R24-L312 HydrophobicContact CG-CD2 3.63Å; R24-L312 PolarHBondContact NE-O 3.31Å; R24-L312 PolarHBondContact NH1-O 2.92Å; R24-F313 VanDerWaalsContact NH2-CE1 3.25Å
25L90.6Very high92.1Very high3 Ų350.1 Ų50.12%0.01627%0.268CS..Hα-helixtrans-59.6-41.4173.3-69.3169.9000111L21 N29 I30 A35 V38 M39 M80 F308L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.4Å; L21-L25 PolarHBondContact O-N 2.84Å; L25-N29 PolarHBondContact O-N 3.25Å; L25-I30 HydrophobicContact CB-CB 4.48Å; L25-I30 HydrophobicContact CD2-CB 4.32Å; L25-I30 HydrophobicContact CD2-CG1 3.93Å; L25-I30 HydrophobicContact CD2-CG2 4.35Å; L25-I30 WeakPolarHBondContact O-CB 3.26Å; L25-I30 WeakPolarHBondContact O-CG1 2.99Å; L25-I30 PolarHBondContact O-N 3.23Å; L25-A35 HydrophobicContact CB-CB 4.15Å; L25-A35 HydrophobicContact CD1-CB 4.16Å; L25-V38 HydrophobicContact CD1-CB 4.24Å; L25-V38 HydrophobicContact CD1-CG1 3.94Å; L25-M39 HydrophobicContact CD1-CG 4.42Å; L25-M39 HydrophobicContact CD1-SD 4.4Å; L25-M80 HydrophobicContact CD2-SD 4.34Å; L25-F308 HydrophobicContact CD2-CZ 4.38Å
26R88.4Confident91.9Very high152 Ų15253.6 Ų53.657%0.57428%0.283SS*.Hα-helixtrans-65.4-47.1174-70.1172.3-168.5-1305.9112.5D22 R24 Q28 N29D22-R26 VanDerWaalsContact CG-NE 3.3Å; D22-R26 VanDerWaalsContact O-CG 3.26Å; D22-R26 WeakPolarHBondContact O-CG 3.31Å; D22-R26 PolarHBondContact O-N 2.97Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.52Å; D22-R26 IonicContact OD1-NE 3.34Å; D22-R26 PolarHBondContact OD1-NE 3.23Å; D22-R26 IonicContact OD1-NH2 2.97Å; D22-R26 PolarHBondContact OD1-NH2 3.44Å; D22-R26 IonicContact OD2-CZ 4Å; D22-R26 IonicContact OD2-NE 2.69Å; D22-R26 PolarHBondContact OD2-NE 3.08Å; D22-R26 IonicContact OD2-NH2 2.77Å; D22-R26 PolarHBondContact OD2-NH2 3.2Å; R24-R26 VanDerWaalsContact C-N 3.28Å; R24-R26 PolarHBondContact O-N 3.46Å; R26-Q28 PolarHBondContact O-N 3.4Å; R26-N29 PolarHBondContact O-N 3.11Å
27A86.1Confident91.7Very high71 Ų7159 Ų5959%0.58731%0.307SS*.Hα-helixtrans-61.7-31.6-178.900000112.8Q23 R24 N29Q23-A27 VanDerWaalsContact O-CB 3.32Å; Q23-A27 WeakPolarHBondContact O-CB 3.45Å; Q23-A27 PolarHBondContact O-N 2.87Å; R24-A27 PolarHBondContact O-N 2.7Å; A27-N29 VanDerWaalsContact C-N 3.27Å
28Q85.5Confident91.5Very high71 Ų7159 Ų5933%0.33231%0.306SS..THydrogen-bonded Turntrans-85.23.9175.3-67.9-178.213.400113.8R24 R26 I30 N311R24-Q28 WeakPolarHBondContact O-CG 3.15Å; R24-Q28 PolarHBondContact O-N 2.98Å; R26-Q28 PolarHBondContact O-N 3.4Å; Q28-I30 HydrophobicContact CB-CD1 4.28Å; Q28-I30 HydrophobicContact CB-CG1 4.08Å; Q28-I30 PolarHBondContact O-N 2.9Å; Q28-N311 PolarHBondContact NE2-O 3.24Å
29N86.9Confident91.4Very high143 Ų14359.3 Ų59.377%0.76531%0.308SS*.THydrogen-bonded Turntrans53.338-177.2-58.6-62.7000112.9L25 R26 A27L25-N29 PolarHBondContact O-N 3.25Å; R26-N29 PolarHBondContact O-N 3.11Å; A27-N29 VanDerWaalsContact C-N 3.27Å
30I89.6Confident91.4Very high36 Ų3659.9 Ų59.919%0.18531%0.312CS..  trans-63.1134.6173.1-59.7-59.3000108.5L25 Q28 A32 K34 A35 F308L25-I30 HydrophobicContact CB-CB 4.48Å; L25-I30 HydrophobicContact CD2-CB 4.32Å; L25-I30 HydrophobicContact CD2-CG1 3.93Å; L25-I30 HydrophobicContact CD2-CG2 4.35Å; L25-I30 WeakPolarHBondContact O-CB 3.26Å; L25-I30 WeakPolarHBondContact O-CG1 2.99Å; L25-I30 PolarHBondContact O-N 3.23Å; Q28-I30 HydrophobicContact CB-CD1 4.28Å; Q28-I30 HydrophobicContact CB-CG1 4.08Å; Q28-I30 PolarHBondContact O-N 2.9Å; I30-A32 PolarHBondContact O-N 3.19Å; I30-K34 HydrophobicContact CG2-CB 3.92Å; I30-A35 HydrophobicContact CG2-CB 4.29Å; I30-F308 HydrophobicContact CD1-CD2 4.46Å; I30-F308 HydrophobicContact CD1-CE2 3.84Å; I30-F308 HydrophobicContact CG1-CE2 4.33Å; I30-F308 HydrophobicContact CG2-CE2 4.49Å; I30-F308 HydrophobicContact CG2-CZ 4.19Å
31P92.3Very high91.5Very high74 Ų7462 Ų6248%0.48132%0.323SS..  trans-52.2136.9178.7-28.434.9000112.1D33 K34 A35P31-D33 VanDerWaalsContact C-N 3.26Å; P31-D33 PolarHBondContact O-N 3.35Å; P31-D33 VanDerWaalsContact O-N 3.16Å; P31-K34 HydrophobicContact CB-CB 4.47Å; P31-K34 HydrophobicContact CB-CG 4.4Å; P31-K34 HydrophobicContact CG-CD 4.3Å; P31-K34 WeakPolarHBondContact O-CA 3.48Å; P31-K34 WeakPolarHBondContact O-CB 2.87Å; P31-K34 PolarHBondContact O-N 3.12Å; P31-A35 PolarHBondContact O-N 3.44Å
32A90.1Very high91.5Very high80 Ų8062 Ų6266%0.66132%0.323SS*.Hα-helixtrans-54-40.9-172.700000112.9I30 K34 A35 K36I30-A32 PolarHBondContact O-N 3.19Å; A32-K34 VanDerWaalsContact C-N 3.35Å; A32-K34 PolarHBondContact O-N 3.39Å; A32-A35 PolarHBondContact O-N 3.48Å; A32-K36 VanDerWaalsContact O-CB 3.26Å; A32-K36 WeakPolarHBondContact O-CB 3.31Å; A32-K36 PolarHBondContact O-N 3Å
33D90.4Very high91.7Very high137 Ų13761.1 Ų61.173%0.73332%0.319SS*.Hα-helixtrans-64.9-38.2178.4-58.4-41.7000112.5P31 K37P31-D33 VanDerWaalsContact C-N 3.26Å; P31-D33 PolarHBondContact O-N 3.35Å; P31-D33 VanDerWaalsContact O-N 3.16Å; D33-K37 WeakPolarHBondContact O-CB 3.36Å; D33-K37 PolarHBondContact O-N 3.02Å
34K91.8Very high92Very high122 Ų12261.9 Ų61.953%0.5333%0.325SS..Hα-helixtrans-70.9-43.4176.7-70.3-172.3179-176.60111.2I30 P31 A32 K36 K37 V38I30-K34 HydrophobicContact CG2-CB 3.92Å; P31-K34 HydrophobicContact CB-CB 4.47Å; P31-K34 HydrophobicContact CB-CG 4.4Å; P31-K34 HydrophobicContact CG-CD 4.3Å; P31-K34 WeakPolarHBondContact O-CA 3.48Å; P31-K34 WeakPolarHBondContact O-CB 2.87Å; P31-K34 PolarHBondContact O-N 3.12Å; A32-K34 VanDerWaalsContact C-N 3.35Å; A32-K34 PolarHBondContact O-N 3.39Å; K34-K36 VanDerWaalsContact C-N 3.33Å; K34-K37 PolarHBondContact O-N 3.4Å; K34-V38 WeakPolarHBondContact O-CG2 3.28Å; K34-V38 PolarHBondContact O-N 2.93Å
35A92.4Very high92.2Very high17 Ų1759.4 Ų59.414%0.1432%0.319CS..Hα-helixtrans-61.7-44176.400000111L25 I30 P31 A32 K37 V38 M39L25-A35 HydrophobicContact CB-CB 4.15Å; L25-A35 HydrophobicContact CD1-CB 4.16Å; I30-A35 HydrophobicContact CG2-CB 4.29Å; P31-A35 PolarHBondContact O-N 3.44Å; A32-A35 PolarHBondContact O-N 3.48Å; A35-K37 PolarHBondContact O-N 2.91Å; A35-V38 PolarHBondContact O-N 3.2Å; A35-M39 WeakPolarHBondContact O-CG 3.41Å; A35-M39 PolarHBondContact O-N 2.91Å
36K93.6Very high92.5Very high76 Ų7659.3 Ų59.333%0.3332%0.318SS..Hα-helixtrans-60.3-43.3174.5-175.5169.9179171.80111.8A32 K34 M39 N40 D128A32-K36 VanDerWaalsContact O-CB 3.26Å; A32-K36 WeakPolarHBondContact O-CB 3.31Å; A32-K36 PolarHBondContact O-N 3Å; K34-K36 VanDerWaalsContact C-N 3.33Å; K36-M39 PolarHBondContact O-N 3.31Å; K36-N40 VanDerWaalsContact O-CB 3.3Å; K36-N40 WeakPolarHBondContact O-CB 3.42Å; K36-N40 VanDerWaalsContact O-CG 3.27Å; K36-N40 PolarHBondContact O-N 3.44Å; K36-N40 PolarHBondContact O-OD1 3.14Å; K36-D128 IonicContact NZ-OD2 3.91Å; K36-D128 PolarHBondContact NZ-OD2 2.94Å
37K93.6Very high92.8Very high113 Ų11352.1 Ų52.149%0.49129%0.291SS..Hα-helixtrans-59.9-47.7174.7-173.5176.6-179.9-179.40111.9D33 K34 A35 M39 N40 D41D33-K37 WeakPolarHBondContact O-CB 3.36Å; D33-K37 PolarHBondContact O-N 3.02Å; K34-K37 PolarHBondContact O-N 3.4Å; A35-K37 PolarHBondContact O-N 2.91Å; K37-M39 PolarHBondContact O-N 3.36Å; K37-N40 PolarHBondContact O-N 3.45Å; K37-D41 WeakPolarHBondContact O-CB 3.44Å; K37-D41 PolarHBondContact O-N 3.42Å
38V94.1Very high93.2Very high0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-56.8-48.81771680000111.3L25 K34 A35 D41 I42 I79 M80 F308L25-V38 HydrophobicContact CD1-CB 4.24Å; L25-V38 HydrophobicContact CD1-CG1 3.94Å; K34-V38 WeakPolarHBondContact O-CG2 3.28Å; K34-V38 PolarHBondContact O-N 2.93Å; A35-V38 PolarHBondContact O-N 3.2Å; V38-D41 PolarHBondContact O-N 3.45Å; V38-I42 HydrophobicContact CG1-CD1 3.94Å; V38-I42 VanDerWaalsContact O-CG1 3.28Å; V38-I42 WeakPolarHBondContact O-CG1 3.46Å; V38-I42 PolarHBondContact O-N 2.87Å; V38-I42 VanDerWaalsContact O-N 3.15Å; V38-I79 HydrophobicContact CG2-CG2 3.77Å; V38-M80 HydrophobicContact CG1-CB 4.15Å; V38-M80 HydrophobicContact CG1-CE 4.45Å; V38-M80 HydrophobicContact CG1-SD 4.33Å; V38-M80 HydrophobicContact CG2-CB 4.21Å; V38-F308 HydrophobicContact CG2-CE1 4.04Å; V38-F308 HydrophobicContact CG2-CZ 4.08Å
39M95.6Very high93.5Very high7 Ų754 Ų543%0.03429%0.288CS..Hα-helixtrans-62.9-45.1178.9-66.4-63-72.600111.8L18 L21 D22 L25 A35 K36 K37 D41 I42 I43 F125L18-M39 HydrophobicContact CB-CE 3.9Å; L18-M39 HydrophobicContact CD2-CE 3.65Å; L18-M39 HydrophobicContact CD2-SD 4.12Å; L18-M39 HydrophobicContact CG-CE 4.34Å; L21-M39 HydrophobicContact CB-SD 4.42Å; D22-M39 HydrophobicContact CB-CE 4.05Å; D22-M39 HydrophobicContact CB-SD 4.38Å; L25-M39 HydrophobicContact CD1-CG 4.42Å; L25-M39 HydrophobicContact CD1-SD 4.4Å; A35-M39 WeakPolarHBondContact O-CG 3.41Å; A35-M39 PolarHBondContact O-N 2.91Å; K36-M39 PolarHBondContact O-N 3.31Å; K37-M39 PolarHBondContact O-N 3.36Å; M39-D41 PolarHBondContact O-N 2.7Å; M39-I42 PolarHBondContact O-N 3.39Å; M39-I43 WeakPolarHBondContact O-CB 3.41Å; M39-I43 WeakPolarHBondContact O-CG1 3.33Å; M39-I43 PolarHBondContact O-N 3.41Å; M39-F125 HydrophobicContact CE-CD1 4Å; M39-F125 HydrophobicContact CE-CD2 3.71Å; M39-F125 HydrophobicContact CE-CE1 4.06Å; M39-F125 HydrophobicContact CE-CE2 3.8Å; M39-F125 HydrophobicContact CE-CG 3.84Å; M39-F125 HydrophobicContact CE-CZ 3.97Å
40N96Very high93.6Very high22 Ų2252 Ų5212%0.11827%0.272CS..Hα-helixtrans-62.1-43.5178.7-78.38000112.2K36 K37 I43 T44 T129 I132K36-N40 VanDerWaalsContact O-CB 3.3Å; K36-N40 WeakPolarHBondContact O-CB 3.42Å; K36-N40 VanDerWaalsContact O-CG 3.27Å; K36-N40 PolarHBondContact O-N 3.44Å; K36-N40 PolarHBondContact O-OD1 3.14Å; K37-N40 PolarHBondContact O-N 3.45Å; N40-I43 PolarHBondContact O-N 3.45Å; N40-T44 VanDerWaalsContact O-CB 3.29Å; N40-T44 WeakPolarHBondContact O-CB 3.43Å; N40-T44 PolarHBondContact O-N 2.99Å; N40-T44 PolarHBondContact O-OG1 3.2Å; N40-T129 PolarHBondContact ND2-OG1 2.99Å; N40-T129 VanDerWaalsContact ND2-OG1 3.07Å; N40-I132 HydrophobicContact CB-CD1 3.75Å
41D95.6Very high93.6Very high49 Ų4950.3 Ų50.326%0.26226%0.263SS..Hα-helixtrans-63.7-42.8179.9-67-14.8000111K37 V38 M39 T45K37-D41 WeakPolarHBondContact O-CB 3.44Å; K37-D41 PolarHBondContact O-N 3.42Å; V38-D41 PolarHBondContact O-N 3.45Å; M39-D41 PolarHBondContact O-N 2.7Å; D41-T45 WeakPolarHBondContact O-CB 3.42Å; D41-T45 PolarHBondContact O-N 2.97Å; D41-T45 VanDerWaalsContact O-N 3.11Å; D41-T45 PolarHBondContact O-OG1 3.05Å
42I96.1Very high93.6Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-65.2-47.5177-65.9172.6000110.6M17 L18 L21 V38 M39 T45 M46 L74 M80M17-I42 HydrophobicContact CE-CG2 3.58Å; L18-I42 HydrophobicContact CD2-CB 4.35Å; L18-I42 HydrophobicContact CD2-CG2 3.78Å; L21-I42 HydrophobicContact CD1-CD1 3.59Å; V38-I42 HydrophobicContact CG1-CD1 3.94Å; V38-I42 VanDerWaalsContact O-CG1 3.28Å; V38-I42 WeakPolarHBondContact O-CG1 3.46Å; V38-I42 PolarHBondContact O-N 2.87Å; V38-I42 VanDerWaalsContact O-N 3.15Å; M39-I42 PolarHBondContact O-N 3.39Å; I42-T45 PolarHBondContact O-N 3.32Å; I42-M46 WeakPolarHBondContact O-CB 3.49Å; I42-M46 PolarHBondContact O-N 2.95Å; I42-L74 HydrophobicContact CG2-CG 4.15Å; I42-M80 HydrophobicContact CD1-CE 4.48Å
43I97.1Very high93.7Very high0 Ų047.9 Ų47.90%023%0.232CC..Hα-helixtrans-66.7-41.5-178.7-64.9167.8000110.5L18 M39 N40 T45 M46 F47 I122 F125 V126 I132 V136L18-I43 HydrophobicContact CD1-CD1 4.12Å; L18-I43 HydrophobicContact CD1-CG1 3.72Å; L18-I43 HydrophobicContact CD2-CD1 4.23Å; L18-I43 HydrophobicContact CD2-CG1 3.8Å; L18-I43 HydrophobicContact CG-CG1 4.45Å; M39-I43 WeakPolarHBondContact O-CB 3.41Å; M39-I43 WeakPolarHBondContact O-CG1 3.33Å; M39-I43 PolarHBondContact O-N 3.41Å; N40-I43 PolarHBondContact O-N 3.45Å; I43-T45 VanDerWaalsContact C-N 3.25Å; I43-T45 PolarHBondContact O-N 2.92Å; I43-M46 PolarHBondContact O-N 3.48Å; I43-F47 HydrophobicContact CG2-CD2 3.67Å; I43-F47 HydrophobicContact CG2-CE2 4.07Å; I43-F47 WeakPolarHBondContact O-CB 3.47Å; I43-F47 WeakPolarHBondContact O-CD2 3.43Å; I43-F47 PolarHBondContact O-N 3.02Å; I43-I122 HydrophobicContact CD1-CG2 4.32Å; I43-I122 HydrophobicContact CG1-CG2 4.49Å; I43-I122 HydrophobicContact CG2-CG2 3.96Å; I43-F125 HydrophobicContact CD1-CB 3.79Å; I43-F125 HydrophobicContact CD1-CD2 4.36Å; I43-F125 HydrophobicContact CD1-CG 4.5Å; I43-V126 HydrophobicContact CB-CG1 4.11Å; I43-V126 HydrophobicContact CD1-CG1 3.48Å; I43-V126 VanDerWaalsContact CD1-CG1 3.48Å; I43-V126 HydrophobicContact CG1-CG1 4.38Å; I43-V126 HydrophobicContact CG2-CG1 3.84Å; I43-I132 HydrophobicContact CB-CG2 4.35Å; I43-I132 HydrophobicContact CG2-CG2 3.65Å; I43-V136 HydrophobicContact CG2-CG2 3.91Å
44T96.3Very high93.7Very high51 Ų5142.1 Ų42.131%0.31320%0.201SC..Hα-helixtrans-56.9-42.6174.7-57.20000111.3N40 N48 I132N40-T44 VanDerWaalsContact O-CB 3.29Å; N40-T44 WeakPolarHBondContact O-CB 3.43Å; N40-T44 PolarHBondContact O-N 2.99Å; N40-T44 PolarHBondContact O-OG1 3.2Å; T44-N48 PolarHBondContact O-N 3.5Å; T44-I132 WeakPolarHBondContact OG1-CD1 3.43Å; T44-I132 WeakPolarHBondContact OG1-CG1 3.47Å
45T94.8Very high93.7Very high23 Ų2336.3 Ų36.314%0.14118%0.176CC..Hα-helixtrans-71.1-41.2179.3-540000111.5D41 I42 I43 F47 N48 L74 A77 F356D41-T45 WeakPolarHBondContact O-CB 3.42Å; D41-T45 PolarHBondContact O-N 2.97Å; D41-T45 VanDerWaalsContact O-N 3.11Å; D41-T45 PolarHBondContact O-OG1 3.05Å; I42-T45 PolarHBondContact O-N 3.32Å; I43-T45 VanDerWaalsContact C-N 3.25Å; I43-T45 PolarHBondContact O-N 2.92Å; T45-F47 VanDerWaalsContact C-N 3.32Å; T45-F47 PolarHBondContact O-N 3.39Å; T45-N48 WeakPolarHBondContact O-CB 3.38Å; T45-N48 PolarHBondContact O-N 3.44Å; T45-L74 HydrophobicContact CG2-CD1 3.81Å; T45-A77 HydrophobicContact CG2-CB 3.83Å; T45-F356 HydrophobicContact CG2-CD1 3.4Å; T45-F356 VanDerWaalsContact CG2-CD1 3.4Å; T45-F356 HydrophobicContact CG2-CE1 3.72Å
46M95.8Very high93.7Very high1 Ų136.4 Ų36.41%0.00517%0.173CC..Hα-helixtrans-64.3-36.3179.6-174.1176.916600112.5F10 L18 I42 I43 L74 I122F10-M46 HydrophobicContact CD1-CE 4.22Å; F10-M46 HydrophobicContact CE1-CE 3.91Å; F10-M46 HydrophobicContact CE1-CG 3.59Å; F10-M46 HydrophobicContact CZ-CG 3.91Å; L18-M46 HydrophobicContact CD1-SD 4.28Å; I42-M46 WeakPolarHBondContact O-CB 3.49Å; I42-M46 PolarHBondContact O-N 2.95Å; I43-M46 PolarHBondContact O-N 3.48Å; M46-L74 HydrophobicContact CB-CD1 3.9Å; M46-L74 HydrophobicContact CB-CD2 4.06Å; M46-L74 HydrophobicContact CG-CD2 4.04Å; M46-L74 HydrophobicContact SD-CD2 4.33Å; M46-I122 HydrophobicContact CE-CD1 4.48Å
47F95.8Very high93.7Very high2 Ų237.1 Ų37.11%0.00918%0.176CC..THydrogen-bonded Turntrans-103.825.6-178.1-68.6-91.8000112.5I43 T45 K49 L52 M119 I122 Q135 V136 T139I43-F47 HydrophobicContact CG2-CD2 3.67Å; I43-F47 HydrophobicContact CG2-CE2 4.07Å; I43-F47 WeakPolarHBondContact O-CB 3.47Å; I43-F47 WeakPolarHBondContact O-CD2 3.43Å; I43-F47 PolarHBondContact O-N 3.02Å; T45-F47 VanDerWaalsContact C-N 3.32Å; T45-F47 PolarHBondContact O-N 3.39Å; F47-K49 PolarHBondContact O-N 3.07Å; F47-L52 HydrophobicContact CB-CD1 4.16Å; F47-L52 HydrophobicContact CD1-CD1 4.13Å; F47-M119 HydrophobicContact CE1-CE 3.76Å; F47-M119 HydrophobicContact CE1-SD 3.87Å; F47-M119 HydrophobicContact CZ-CE 4.18Å; F47-M119 HydrophobicContact CZ-SD 3.85Å; F47-I122 HydrophobicContact CE2-CD1 4.08Å; F47-I122 HydrophobicContact CE2-CG2 3.67Å; F47-I122 HydrophobicContact CZ-CD1 3.88Å; F47-I122 HydrophobicContact CZ-CG2 3.93Å; F47-Q135 HydrophobicContact CB-CB 4.36Å; F47-V136 HydrophobicContact CD1-CG2 4.19Å; F47-V136 HydrophobicContact CD2-CG2 4.03Å; F47-V136 HydrophobicContact CE1-CG1 4.43Å; F47-V136 HydrophobicContact CE1-CG2 4.43Å; F47-V136 HydrophobicContact CE2-CG2 4.28Å; F47-V136 HydrophobicContact CG-CG2 3.99Å; F47-V136 HydrophobicContact CZ-CG2 4.47Å; F47-T139 HydrophobicContact CD1-CG2 3.88Å; F47-T139 WeakPolarHBondContact CD1-OG1 3.3Å; F47-T139 HydrophobicContact CE1-CG2 3.75Å
48N93.4Very high93.7Very high57 Ų5736.1 Ų36.131%0.30518%0.181SC..  trans-60.5129.7172.6-178-70.4000110.1T44 T45 K50 F51 L52T44-N48 PolarHBondContact O-N 3.5Å; T45-N48 WeakPolarHBondContact O-CB 3.38Å; T45-N48 PolarHBondContact O-N 3.44Å; N48-K50 PolarHBondContact O-N 3.47Å; N48-K50 PolarHBondContact OD1-N 2.99Å; N48-F51 HydrophobicContact CB-CB 4.11Å; N48-F51 PolarHBondContact O-N 3.09Å; N48-F51 PolarHBondContact OD1-N 3.25Å; N48-L52 WeakPolarHBondContact O-CG 3.41Å; N48-L52 PolarHBondContact O-N 3.21Å
49K91.9Very high93.5Very high124 Ų12436.8 Ų36.854%0.53918%0.184SC..Hα-helixtrans-57.6-47.4-174-179172.6177170.10113.7F47 F51 L52 E53F47-K49 PolarHBondContact O-N 3.07Å; K49-F51 VanDerWaalsContact C-N 3.32Å; K49-F51 PolarHBondContact O-N 3.17Å; K49-L52 PolarHBondContact O-N 3.3Å; K49-E53 WeakPolarHBondContact CE-OE1 3.43Å; K49-E53 WeakPolarHBondContact CG-OE1 3.43Å; K49-E53 WeakPolarHBondContact O-CG 3.46Å; K49-E53 PolarHBondContact O-N 3.46Å
50K90.2Very high93.2Very high100 Ų10043 Ų4344%0.43521%0.213SC..Hα-helixtrans-63-43.9-178.9-61.6-177.2-175.7175.80110.5N48 L52 E53 E54 E355 E358N48-K50 PolarHBondContact O-N 3.47Å; N48-K50 PolarHBondContact OD1-N 2.99Å; K50-L52 PolarHBondContact O-N 3.43Å; K50-E53 WeakPolarHBondContact O-CB 3.24Å; K50-E53 PolarHBondContact O-N 3.17Å; K50-E54 PolarHBondContact O-N 3.05Å; K50-E54 VanDerWaalsContact O-N 3.12Å; K50-E355 VanDerWaalsContact CB-CD 3.47Å; K50-E355 HydrophobicContact CB-CG 4.3Å; K50-E355 VanDerWaalsContact CB-OE2 3.27Å; K50-E355 WeakPolarHBondContact CB-OE2 3.44Å; K50-E355 HydrophobicContact CD-CG 4.33Å; K50-E358 IonicContact NZ-OE2 2.82Å; K50-E358 PolarHBondContact NZ-OE2 3.45Å
51F89.5Confident93Very high1 Ų143.8 Ų43.80%0.00422%0.217CC..Hα-helixtrans-61.9-44.7179.1168.9-94.7000111.3F10 N48 K49 E54 L55 I352 E355 F356F10-F51 HydrophobicContact CD1-CE1 4.1Å; F10-F51 HydrophobicContact CD1-CZ 4.36Å; F10-F51 HydrophobicContact CD2-CZ 4.17Å; F10-F51 AromaticContact CE1-CE1 3.43Å; F10-F51 HydrophobicContact CE1-CE1 3.43Å; F10-F51 VanDerWaalsContact CE1-CE1 3.43Å; F10-F51 AromaticContact CE1-CZ 3.82Å; F10-F51 HydrophobicContact CE1-CZ 3.82Å; F10-F51 HydrophobicContact CE2-CE1 4.1Å; F10-F51 AromaticContact CE2-CZ 3.61Å; F10-F51 HydrophobicContact CE2-CZ 3.61Å; F10-F51 AromaticContact CZ-CE1 3.42Å; F10-F51 HydrophobicContact CZ-CE1 3.42Å; F10-F51 VanDerWaalsContact CZ-CE1 3.42Å; F10-F51 AromaticContact CZ-CZ 3.4Å; F10-F51 HydrophobicContact CZ-CZ 3.4Å; F10-F51 VanDerWaalsContact CZ-CZ 3.4Å; N48-F51 HydrophobicContact CB-CB 4.11Å; N48-F51 PolarHBondContact O-N 3.09Å; N48-F51 PolarHBondContact OD1-N 3.25Å; K49-F51 VanDerWaalsContact C-N 3.32Å; K49-F51 PolarHBondContact O-N 3.17Å; F51-E54 PolarHBondContact O-N 3.17Å; F51-L55 HydrophobicContact CE1-CB 4.49Å; F51-L55 HydrophobicContact CE1-CD2 4.11Å; F51-L55 HydrophobicContact CZ-CD1 4.22Å; F51-L55 WeakPolarHBondContact O-CB 3.46Å; F51-L55 PolarHBondContact O-N 3.2Å; F51-I352 HydrophobicContact CD2-CB 4.33Å; F51-I352 HydrophobicContact CD2-CG1 4.49Å; F51-I352 HydrophobicContact CD2-CG2 3.33Å; F51-I352 HydrophobicContact CE2-CG2 3.24Å; F51-E355 WeakPolarHBondContact CA-OE2 3.31Å; F51-E355 PolarHBondContact N-OE2 2.86Å; F51-F356 HydrophobicContact CD1-CZ 4.49Å; F51-F356 HydrophobicContact CD2-CE1 4.04Å; F51-F356 AromaticContact CD2-CE2 3.87Å; F51-F356 HydrophobicContact CD2-CE2 3.87Å; F51-F356 AromaticContact CD2-CZ 3.39Å; F51-F356 HydrophobicContact CD2-CZ 3.39Å; F51-F356 HydrophobicContact CE1-CZ 4.45Å; F51-F356 HydrophobicContact CE2-CE1 4.3Å; F51-F356 AromaticContact CE2-CE2 3.74Å; F51-F356 HydrophobicContact CE2-CE2 3.74Å; F51-F356 AromaticContact CE2-CZ 3.31Å; F51-F356 HydrophobicContact CE2-CZ 3.31Å; F51-F356 HydrophobicContact CG-CE1 4.27Å; F51-F356 HydrophobicContact CG-CZ 4.02Å; F51-F356 AromaticContact CZ-CZ 3.91Å; F51-F356 HydrophobicContact CZ-CZ 3.91Å
52L92.4Very high92.6Very high6 Ų642 Ų423%0.03121%0.207CC..Hα-helixtrans-66.8-38.7178-71.6171.6000112.4F47 N48 K49 K50 E54 L55 F56 T139F47-L52 HydrophobicContact CB-CD1 4.16Å; F47-L52 HydrophobicContact CD1-CD1 4.13Å; N48-L52 WeakPolarHBondContact O-CG 3.41Å; N48-L52 PolarHBondContact O-N 3.21Å; K49-L52 PolarHBondContact O-N 3.3Å; K50-L52 PolarHBondContact O-N 3.43Å; L52-E54 VanDerWaalsContact C-N 3.26Å; L52-E54 PolarHBondContact O-N 3.49Å; L52-L55 HydrophobicContact CD2-CD2 4.01Å; L52-L55 PolarHBondContact O-N 3.12Å; L52-L55 VanDerWaalsContact O-N 3.17Å; L52-F56 HydrophobicContact CD2-CD2 4.47Å; L52-F56 HydrophobicContact CD2-CE2 3.99Å; L52-F56 WeakPolarHBondContact O-CB 3.46Å; L52-F56 VanDerWaalsContact O-CD2 3.27Å; L52-F56 WeakPolarHBondContact O-CD2 3.31Å; L52-F56 PolarHBondContact O-N 3.48Å; L52-T139 HydrophobicContact CD1-CG2 4.02Å; L52-T139 WeakPolarHBondContact CD1-OG1 3.36Å; L52-T139 HydrophobicContact CD2-CG2 4.03Å
53E91.1Very high92.3Very high98 Ų9845.6 Ų45.646%0.45823%0.232SC..Hα-helixtrans-58.7-38.9174.6-76.5173.4-17300111.7K49 K50 K57K49-E53 WeakPolarHBondContact CE-OE1 3.43Å; K49-E53 WeakPolarHBondContact CG-OE1 3.43Å; K49-E53 WeakPolarHBondContact O-CG 3.46Å; K49-E53 PolarHBondContact O-N 3.46Å; K50-E53 WeakPolarHBondContact O-CB 3.24Å; K50-E53 PolarHBondContact O-N 3.17Å; E53-K57 WeakPolarHBondContact O-CG 3.42Å
54E90.9Very high92Very high16 Ų1648.4 Ų48.48%0.07524%0.244CC..Hα-helixtrans-73.6-40.8172.7-64.7-59.1145.100112.3K50 F51 L52 F56 K57 Q59 K351 I352K50-E54 PolarHBondContact O-N 3.05Å; K50-E54 VanDerWaalsContact O-N 3.12Å; F51-E54 PolarHBondContact O-N 3.17Å; L52-E54 VanDerWaalsContact C-N 3.26Å; L52-E54 PolarHBondContact O-N 3.49Å; E54-F56 VanDerWaalsContact C-N 3.32Å; E54-F56 PolarHBondContact O-N 2.99Å; E54-K57 WeakPolarHBondContact O-CB 3.15Å; E54-K57 PolarHBondContact O-N 3Å; E54-K57 IonicContact OE1-NZ 2.96Å; E54-K57 PolarHBondContact OE1-NZ 3.04Å; E54-K57 WeakPolarHBondContact OE2-CE 3.16Å; E54-K57 IonicContact OE2-NZ 3.25Å; E54-K57 PolarHBondContact OE2-NZ 2.98Å; E54-Q59 PolarHBondContact O-NE2 3.34Å; E54-K351 HydrophobicContact CG-CD 4.42Å; E54-K351 IonicContact OE1-NZ 3.87Å; E54-K351 PolarHBondContact OE1-NZ 2.64Å; E54-K351 IonicContact OE2-NZ 2.82Å; E54-I352 HydrophobicContact CB-CD1 3.99Å; E54-I352 HydrophobicContact CB-CG1 3.83Å; E54-I352 HydrophobicContact CG-CG1 4.36Å
55L91.4Very high91.6Very high0 Ų051.9 Ų51.90%026%0.255CS..Hα-helixtrans-60.4-40.4-179.7-173.276000112.4L6 P7 F10 F51 L52 K57 Q59L6-L55 HydrophobicContact CD2-CD1 3.86Å; L6-L55 HydrophobicContact CG-CD1 3.79Å; P7-L55 HydrophobicContact CB-CD2 4.47Å; P7-L55 HydrophobicContact CG-CG 4.49Å; F10-L55 HydrophobicContact CB-CD1 4.05Å; F10-L55 HydrophobicContact CB-CD2 4.08Å; F10-L55 HydrophobicContact CD1-CD2 3.6Å; F10-L55 HydrophobicContact CE1-CD2 4.33Å; F10-L55 HydrophobicContact CG-CD1 4.15Å; F10-L55 HydrophobicContact CG-CD2 3.99Å; F51-L55 HydrophobicContact CE1-CB 4.49Å; F51-L55 HydrophobicContact CE1-CD2 4.11Å; F51-L55 HydrophobicContact CZ-CD1 4.22Å; F51-L55 WeakPolarHBondContact O-CB 3.46Å; F51-L55 PolarHBondContact O-N 3.2Å; L52-L55 HydrophobicContact CD2-CD2 4.01Å; L52-L55 PolarHBondContact O-N 3.12Å; L52-L55 VanDerWaalsContact O-N 3.17Å; L55-K57 VanDerWaalsContact C-N 3.28Å; L55-K57 PolarHBondContact O-N 3Å; L55-Q59 PolarHBondContact O-NE2 3.26Å
56F93.5Very high91.2Very high19 Ų1951.7 Ų51.78%0.08326%0.255CS..THydrogen-bonded Turntrans-79.8-4.7-177-83.8-111.4000113.6P7 I11 L52 E54 T139 Q142 L143 M146P7-F56 HydrophobicContact CB-CD2 4.26Å; P7-F56 HydrophobicContact CB-CE1 4.33Å; P7-F56 HydrophobicContact CB-CE2 4.05Å; P7-F56 HydrophobicContact CB-CZ 4.09Å; P7-F56 HydrophobicContact CG-CD1 4.47Å; P7-F56 HydrophobicContact CG-CD2 4.33Å; P7-F56 HydrophobicContact CG-CG 4.26Å; I11-F56 HydrophobicContact CD1-CE2 4.47Å; I11-F56 HydrophobicContact CD1-CZ 4.26Å; L52-F56 HydrophobicContact CD2-CD2 4.47Å; L52-F56 HydrophobicContact CD2-CE2 3.99Å; L52-F56 WeakPolarHBondContact O-CB 3.46Å; L52-F56 VanDerWaalsContact O-CD2 3.27Å; L52-F56 WeakPolarHBondContact O-CD2 3.31Å; L52-F56 PolarHBondContact O-N 3.48Å; E54-F56 VanDerWaalsContact C-N 3.32Å; E54-F56 PolarHBondContact O-N 2.99Å; F56-T139 HydrophobicContact CE2-CG2 4.08Å; F56-T139 HydrophobicContact CZ-CG2 3.97Å; F56-Q142 HydrophobicContact CD1-CB 4.21Å; F56-Q142 HydrophobicContact CE1-CB 3.82Å; F56-Q142 HydrophobicContact CZ-CB 4.35Å; F56-L143 HydrophobicContact CE1-CD2 3.83Å; F56-L143 HydrophobicContact CE1-CG 4.27Å; F56-L143 HydrophobicContact CZ-CD2 3.68Å; F56-L143 HydrophobicContact CZ-CG 4.01Å; F56-M146 HydrophobicContact CB-CE 3.91Å; F56-M146 HydrophobicContact CD1-CE 3.43Å; F56-M146 VanDerWaalsContact CD1-CE 3.43Å; F56-M146 HydrophobicContact CD1-SD 3.94Å; F56-M146 HydrophobicContact CE1-CE 4.38Å; F56-M146 HydrophobicContact CE1-SD 4.39Å; F56-M146 HydrophobicContact CG-CE 4.09Å; F56-M146 WeakPolarHBondContact O-CE 3.48Å
57K92.6Very high91Very high91 Ų9151.7 Ų51.740%0.39626%0.255SS..SBendtrans-65.8143.5170.7-70176.5-171.2175.10110.5E53 E54 L55 Q59E53-K57 WeakPolarHBondContact O-CG 3.42Å; E54-K57 WeakPolarHBondContact O-CB 3.15Å; E54-K57 PolarHBondContact O-N 3Å; E54-K57 IonicContact OE1-NZ 2.96Å; E54-K57 PolarHBondContact OE1-NZ 3.04Å; E54-K57 WeakPolarHBondContact OE2-CE 3.16Å; E54-K57 IonicContact OE2-NZ 3.25Å; E54-K57 PolarHBondContact OE2-NZ 2.98Å; L55-K57 VanDerWaalsContact C-N 3.28Å; L55-K57 PolarHBondContact O-N 3Å; K57-Q59 WeakPolarHBondContact O-CG 3.13Å; K57-Q59 PolarHBondContact O-N 2.79Å
58P93Very high90.8Very high92 Ų9252.3 Ų52.360%0.59726%0.258SS*.SBendtrans-61.1111.2173.3-22.133.2000110.8T3T3-P58 CarbonylContact O-C 3.59Å; T3-P58 VanDerWaalsContact O-CA 3.3Å; T3-P58 WeakPolarHBondContact O-CA 3.36Å
59Q90.6Very high90.7Very high13 Ų1352.4 Ų52.46%0.06126%0.26CS..  trans-151.4160.9-176.465.4-162.6-30.300111.6T3 L6 E54 L55 K57 E348T3-Q59 CarbonylContact C-O 3.5Å; T3-Q59 VanDerWaalsContact C-O 3.31Å; T3-Q59 VanDerWaalsContact CA-O 3.25Å; T3-Q59 WeakPolarHBondContact CA-O 3.41Å; T3-Q59 PolarHBondContact O-N 2.75Å; L6-Q59 HydrophobicContact CD2-CG 3.71Å; E54-Q59 PolarHBondContact O-NE2 3.34Å; L55-Q59 PolarHBondContact O-NE2 3.26Å; K57-Q59 WeakPolarHBondContact O-CG 3.13Å; K57-Q59 PolarHBondContact O-N 2.79Å; Q59-E348 PolarHBondContact OE1-OE2 2.88Å
60E90Very high90.7Very high139 Ų13946.5 Ų46.565%0.6524%0.235SC*.PPolyproline II helixtrans-72.8164.9175-62.8-157.9146.100111.8
61L90.3Very high90.9Very high37 Ų3742 Ų4219%0.19422%0.215CC..PPolyproline II helixtrans-68.4141.1174.6-66.4-173.8000110.5T5 L6 L9 T161 F165T5-L61 HydrophobicContact CG2-CD1 4.37Å; T5-L61 HydrophobicContact CG2-CD2 4.06Å; L6-L61 HydrophobicContact CB-CD2 3.92Å; L6-L61 HydrophobicContact CD1-CD2 4.01Å; L9-L61 HydrophobicContact CB-CD2 4.41Å; L9-L61 HydrophobicContact CD2-CD1 4.07Å; L9-L61 HydrophobicContact CD2-CD2 3.88Å; L61-T161 HydrophobicContact CD1-CG2 3.7Å; L61-T161 HydrophobicContact CG-CG2 4Å; L61-F165 HydrophobicContact CD1-CB 3.85Å; L61-F165 HydrophobicContact CD1-CD2 4.03Å; L61-F165 HydrophobicContact CD1-CG 4.15Å
62Y88.6Confident91.1Very high13 Ų1344 Ų445%0.05123%0.226CC..PPolyproline II helixtrans-62.4153.6168-56.9-31.4000111.7L6 L67 L349 I352L6-Y62 HydrophobicContact CD1-CD2 3.99Å; L6-Y62 HydrophobicContact CD1-CE2 4.17Å; L6-Y62 HydrophobicContact CD1-CG 4.35Å; L6-Y62 HydrophobicContact CD2-CD1 4.44Å; L6-Y62 HydrophobicContact CD2-CD2 4.28Å; L6-Y62 HydrophobicContact CD2-CE1 3.91Å; L6-Y62 HydrophobicContact CD2-CE2 3.73Å; Y62-L67 HydrophobicContact CD2-CD1 4.22Å; Y62-L349 HydrophobicContact CD1-CD1 3.8Å; Y62-L349 HydrophobicContact CD1-CD2 4.1Å; Y62-L349 HydrophobicContact CD1-CG 3.85Å; Y62-L349 HydrophobicContact CD2-CD2 3.75Å; Y62-L349 HydrophobicContact CD2-CG 4.41Å; Y62-L349 HydrophobicContact CE1-CD1 4.23Å; Y62-L349 HydrophobicContact CE1-CD2 4.12Å; Y62-L349 HydrophobicContact CE1-CG 3.79Å; Y62-L349 HydrophobicContact CE2-CD2 3.75Å; Y62-L349 HydrophobicContact CE2-CG 4.35Å; Y62-L349 HydrophobicContact CG-CD1 4.11Å; Y62-L349 HydrophobicContact CG-CD2 3.94Å; Y62-L349 HydrophobicContact CG-CG 4.19Å; Y62-I352 WeakPolarHBondContact OH-CD1 3.11Å
63S90.1Very high91Very high74 Ų7448.3 Ų48.352%0.51724%0.242SC..PPolyproline II helixtrans-59150.8169.474.90000110.7K65 A66 L67S63-K65 PolarHBondContact O-N 2.82Å; S63-K65 VanDerWaalsContact O-N 3.14Å; S63-A66 PolarHBondContact O-N 2.92Å; S63-A66 WeakPolarHBondContact OG-CB 3.42Å; S63-A66 PolarHBondContact OG-N 3.06Å; S63-A66 VanDerWaalsContact OG-N 3.12Å; S63-L67 PolarHBondContact O-N 2.68Å
64K89.1Confident91.1Very high59 Ų5943.6 Ų43.626%0.25722%0.22SC..Hα-helixtrans-51.2-39.4176.2-64.9178179.5179.60111.9R68 Y91 F165 Q167K64-R68 VanDerWaalsContact O-CB 3.28Å; K64-R68 WeakPolarHBondContact O-CB 3.39Å; K64-R68 PolarHBondContact O-N 3.03Å; K64-Y91 PolarHBondContact O-OH 3.18Å; K64-F165 WeakPolarHBondContact CE-O 3.42Å; K64-F165 HydrophobicContact CG-CD2 4.47Å; K64-F165 HydrophobicContact CG-CE2 3.82Å; K64-F165 HydrophobicContact CG-CZ 3.98Å; K64-F165 PolarHBondContact NZ-O 3.17Å; K64-Q167 PolarHBondContact NZ-O 3.47Å; K64-Q167 VanDerWaalsContact NZ-O 3.11Å
65K88.1Confident91.1Very high124 Ų12442.9 Ų42.954%0.53922%0.216SC..Hα-helixtrans-65.6-48.7177.3-66.5-172.7178.8-177.80112.1S63 R68 T69 Y332S63-K65 PolarHBondContact O-N 2.82Å; S63-K65 VanDerWaalsContact O-N 3.14Å; K65-R68 WeakPolarHBondContact O-CB 3.05Å; K65-R68 PolarHBondContact O-N 3.35Å; K65-T69 PolarHBondContact O-N 2.91Å; K65-T69 VanDerWaalsContact O-N 3.07Å; K65-T69 PolarHBondContact O-OG1 3.07Å; K65-Y332 HydrophobicContact CG-CD1 3.87Å; K65-Y332 HydrophobicContact CG-CE1 3.79Å
66A88Confident91.1Very high19 Ų1945 Ų4516%0.15723%0.226CC..Hα-helixtrans-63.7-45.1179.100000111.6S63 R68 T69 V70 L349S63-A66 PolarHBondContact O-N 2.92Å; S63-A66 WeakPolarHBondContact OG-CB 3.42Å; S63-A66 PolarHBondContact OG-N 3.06Å; S63-A66 VanDerWaalsContact OG-N 3.12Å; A66-R68 VanDerWaalsContact C-N 3.3Å; A66-R68 PolarHBondContact O-N 3.48Å; A66-T69 WeakPolarHBondContact O-CB 3.33Å; A66-T69 PolarHBondContact O-N 2.93Å; A66-T69 VanDerWaalsContact O-N 3.13Å; A66-V70 PolarHBondContact O-N 3.4Å; A66-L349 HydrophobicContact CB-CD1 3.65Å; A66-L349 HydrophobicContact CB-CD2 4.23Å
67L91Very high90.9Very high1 Ų146.1 Ų46.11%0.00524%0.239CC..Hα-helixtrans-62.4-39177.7-168.765.6000111.7L9 L13 Y62 S63 V70 F71 F165L9-L67 HydrophobicContact CD2-CD2 3.66Å; L9-L67 HydrophobicContact CG-CD2 4.02Å; L13-L67 HydrophobicContact CD1-CD2 3.69Å; Y62-L67 HydrophobicContact CD2-CD1 4.22Å; S63-L67 PolarHBondContact O-N 2.68Å; L67-V70 PolarHBondContact O-N 3.37Å; L67-F71 HydrophobicContact CD1-CD2 4.32Å; L67-F71 HydrophobicContact CD1-CE2 3.87Å; L67-F71 HydrophobicContact CD2-CE2 4.42Å; L67-F71 HydrophobicContact CG-CD2 4.07Å; L67-F71 HydrophobicContact CG-CE2 3.9Å; L67-F71 VanDerWaalsContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 2.95Å; L67-F71 VanDerWaalsContact O-N 3.12Å; L67-F165 HydrophobicContact CD2-CE1 4.36Å; L67-F165 HydrophobicContact CD2-CE2 4.17Å; L67-F165 HydrophobicContact CD2-CZ 3.62Å
68R91.9Very high90.7Very high16 Ų1642 Ų426%0.0622%0.222CC..Hα-helixtrans-57.8-47172.1178.4-176.3175.275.520.1111.7K64 K65 A66 V70 F71 D72 D88 Y91K64-R68 VanDerWaalsContact O-CB 3.28Å; K64-R68 WeakPolarHBondContact O-CB 3.39Å; K64-R68 PolarHBondContact O-N 3.03Å; K65-R68 WeakPolarHBondContact O-CB 3.05Å; K65-R68 PolarHBondContact O-N 3.35Å; A66-R68 VanDerWaalsContact C-N 3.3Å; A66-R68 PolarHBondContact O-N 3.48Å; R68-V70 VanDerWaalsContact C-N 3.29Å; R68-V70 PolarHBondContact O-N 3.16Å; R68-F71 PolarHBondContact O-N 2.74Å; R68-D72 WeakPolarHBondContact O-CB 3.4Å; R68-D72 PolarHBondContact O-N 3.33Å; R68-D88 IonicContact CZ-OD1 3.87Å; R68-D88 IonicContact NE-OD1 3.6Å; R68-D88 IonicContact NH1-OD1 3.9Å; R68-D88 PolarHBondContact NH1-OD1 2.87Å; R68-D88 VanDerWaalsContact NH2-CG 3.31Å; R68-D88 IonicContact NH2-OD1 2.79Å; R68-D88 PolarHBondContact NH2-OD1 3.31Å; R68-D88 IonicContact NH2-OD2 2.72Å; R68-Y91 HydrophobicContact CB-CD2 4.3Å; R68-Y91 HydrophobicContact CB-CE1 4.24Å; R68-Y91 HydrophobicContact CB-CE2 3.96Å; R68-Y91 HydrophobicContact CG-CD1 4.48Å; R68-Y91 HydrophobicContact CG-CD2 4.31Å; R68-Y91 HydrophobicContact CG-CE2 4.46Å; R68-Y91 HydrophobicContact CG-CG 4.32Å
69T90.6Very high90.2Very high58 Ų5839.8 Ų39.836%0.35621%0.205SC..Hα-helixtrans-60.6-38177.8-570000112.3K65 A66 D72 R73 M353K65-T69 PolarHBondContact O-N 2.91Å; K65-T69 VanDerWaalsContact O-N 3.07Å; K65-T69 PolarHBondContact O-OG1 3.07Å; A66-T69 WeakPolarHBondContact O-CB 3.33Å; A66-T69 PolarHBondContact O-N 2.93Å; A66-T69 VanDerWaalsContact O-N 3.13Å; T69-D72 PolarHBondContact O-N 2.91Å; T69-R73 PolarHBondContact O-N 3.17Å; T69-R73 VanDerWaalsContact O-N 3.07Å; T69-M353 HydrophobicContact CG2-CE 3.85Å
70V92.4Very high90.1Very high1 Ų139.2 Ų39.21%0.00620%0.202CC..Hα-helixtrans-61.8-49175.5173.90000110.7F10 A66 L67 R68 D72 R73 L74 L349 F356F10-V70 HydrophobicContact CE2-CG1 3.79Å; A66-V70 PolarHBondContact O-N 3.4Å; L67-V70 PolarHBondContact O-N 3.37Å; R68-V70 VanDerWaalsContact C-N 3.29Å; R68-V70 PolarHBondContact O-N 3.16Å; V70-D72 VanDerWaalsContact C-N 3.29Å; V70-D72 PolarHBondContact O-N 2.63Å; V70-R73 PolarHBondContact O-N 3.01Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 PolarHBondContact O-N 3.06Å; V70-L349 HydrophobicContact CG2-CD2 4.1Å; V70-F356 HydrophobicContact CG1-CE2 4.06Å; V70-F356 HydrophobicContact CG1-CZ 4.27Å
71F94.8Very high89.9Confident4 Ų436.8 Ų36.82%0.01819%0.187CC..Hα-helixtrans-67.3-29.3177.6-79.6-69.7000113.3F10 L13 M17 L67 R68 L74 A75 Y91 M94F10-F71 HydrophobicContact CD2-CE1 4.47Å; F10-F71 HydrophobicContact CD2-CE2 4.21Å; F10-F71 AromaticContact CD2-CZ 3.8Å; F10-F71 HydrophobicContact CD2-CZ 3.8Å; F10-F71 HydrophobicContact CE2-CE1 4.24Å; F10-F71 AromaticContact CE2-CZ 4Å; F10-F71 HydrophobicContact CE2-CZ 4Å; F10-F71 HydrophobicContact CG-CZ 4.47Å; L13-F71 HydrophobicContact CB-CE1 4.15Å; L13-F71 HydrophobicContact CB-CE2 3.72Å; L13-F71 HydrophobicContact CB-CZ 3.4Å; L13-F71 HydrophobicContact CD1-CE2 3.77Å; L13-F71 HydrophobicContact CD1-CZ 4.31Å; L13-F71 HydrophobicContact CG-CE2 4.43Å; M17-F71 HydrophobicContact CE-CD1 4.46Å; M17-F71 HydrophobicContact SD-CD1 3.91Å; L67-F71 HydrophobicContact CD1-CD2 4.32Å; L67-F71 HydrophobicContact CD1-CE2 3.87Å; L67-F71 HydrophobicContact CD2-CE2 4.42Å; L67-F71 HydrophobicContact CG-CD2 4.07Å; L67-F71 HydrophobicContact CG-CE2 3.9Å; L67-F71 VanDerWaalsContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 2.95Å; L67-F71 VanDerWaalsContact O-N 3.12Å; R68-F71 PolarHBondContact O-N 2.74Å; F71-L74 HydrophobicContact CD1-CD2 4.07Å; F71-L74 HydrophobicContact CE1-CD2 4.15Å; F71-L74 PolarHBondContact O-N 3.15Å; F71-A75 WeakPolarHBondContact O-CB 3.41Å; F71-A75 PolarHBondContact O-N 3.26Å; F71-Y91 HydrophobicContact CB-CD2 4.4Å; F71-Y91 HydrophobicContact CD2-CE2 4.09Å; F71-M94 HydrophobicContact CB-CE 4.29Å; F71-M94 HydrophobicContact CD1-CE 3.55Å; F71-M94 HydrophobicContact CD2-CE 4.13Å; F71-M94 HydrophobicContact CE1-CE 3.87Å; F71-M94 HydrophobicContact CE2-CE 4.4Å; F71-M94 HydrophobicContact CG-CE 3.71Å; F71-M94 HydrophobicContact CZ-CE 4.29Å
72D92.4Very high89.7Confident43 Ų4335.8 Ų35.823%0.2318%0.181CC..Hα-helixtrans-63.6-48.2174-173.989.6000112.2R68 T69 V70 L74 A75 H76 M87R68-D72 WeakPolarHBondContact O-CB 3.4Å; R68-D72 PolarHBondContact O-N 3.33Å; T69-D72 PolarHBondContact O-N 2.91Å; V70-D72 VanDerWaalsContact C-N 3.29Å; V70-D72 PolarHBondContact O-N 2.63Å; D72-L74 VanDerWaalsContact C-N 3.3Å; D72-L74 PolarHBondContact O-N 3.06Å; D72-A75 PolarHBondContact O-N 3.37Å; D72-H76 PolarHBondContact O-N 3.31Å; D72-H76 PolarHBondContact O-ND1 2.81Å; D72-H76 IonicContact OD1-CE1 2.68Å; D72-H76 IonicContact OD1-ND1 2.91Å; D72-H76 IonicContact OD2-ND1 3.04Å; D72-M87 HydrophobicContact CB-CE 4.08Å; D72-M87 WeakPolarHBondContact OD1-CE 3.24Å
73R91.1Very high89.7Confident97 Ų9736.9 Ų36.937%0.36619%0.188SC..Hα-helixtrans-61.6-40.2173.2-70.4-176.5173.9-153.8-1.9111.9T69 V70 H76 A77 M353T69-R73 PolarHBondContact O-N 3.17Å; T69-R73 VanDerWaalsContact O-N 3.07Å; V70-R73 PolarHBondContact O-N 3.01Å; R73-H76 CarbonylContact O-C 3.54Å; R73-H76 PolarHBondContact O-N 3.14Å; R73-A77 PolarHBondContact O-N 3.28Å; R73-M353 PolarHBondContact NH1-O 2.84Å
74L93Very high89.5Confident0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-65.3-44.3-178-169.266.7000112.2F10 M17 I42 T45 M46 V70 F71 D72 H76 A77 F356F10-L74 HydrophobicContact CZ-CD2 4.23Å; M17-L74 HydrophobicContact CE-CD2 3.54Å; M17-L74 HydrophobicContact CE-CG 3.91Å; I42-L74 HydrophobicContact CG2-CG 4.15Å; T45-L74 HydrophobicContact CG2-CD1 3.81Å; M46-L74 HydrophobicContact CB-CD1 3.9Å; M46-L74 HydrophobicContact CB-CD2 4.06Å; M46-L74 HydrophobicContact CG-CD2 4.04Å; M46-L74 HydrophobicContact SD-CD2 4.33Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 PolarHBondContact O-N 3.06Å; F71-L74 HydrophobicContact CD1-CD2 4.07Å; F71-L74 HydrophobicContact CE1-CD2 4.15Å; F71-L74 PolarHBondContact O-N 3.15Å; D72-L74 VanDerWaalsContact C-N 3.3Å; D72-L74 PolarHBondContact O-N 3.06Å; L74-H76 PolarHBondContact O-N 2.98Å; L74-A77 VanDerWaalsContact O-CB 3.29Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 3.12Å; L74-F356 HydrophobicContact CD1-CE1 4.5Å
75A90.6Very high89.4Confident0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-63.5-32.1176.800000112.4M17 F71 D72 L82 M87 L90M17-A75 HydrophobicContact SD-CB 4.24Å; F71-A75 WeakPolarHBondContact O-CB 3.41Å; F71-A75 PolarHBondContact O-N 3.26Å; D72-A75 PolarHBondContact O-N 3.37Å; A75-L82 HydrophobicContact CB-CD1 4.21Å; A75-M87 HydrophobicContact CB-CE 3.71Å; A75-M87 HydrophobicContact CB-SD 3.92Å; A75-L90 HydrophobicContact CB-CD2 4.4Å
76H91.2Very high89.5Confident45 Ų4529.7 Ų29.721%0.20815%0.154CC..THydrogen-bonded Turntrans-90.81.8178.2-67.3116.1000114.8D72 R73 L74 S78 R81 L82D72-H76 PolarHBondContact O-N 3.31Å; D72-H76 PolarHBondContact O-ND1 2.81Å; D72-H76 IonicContact OD1-CE1 2.68Å; D72-H76 IonicContact OD1-ND1 2.91Å; D72-H76 IonicContact OD2-ND1 3.04Å; R73-H76 CarbonylContact O-C 3.54Å; R73-H76 PolarHBondContact O-N 3.14Å; L74-H76 PolarHBondContact O-N 2.98Å; H76-S78 PolarHBondContact O-N 2.9Å; H76-R81 PolarHBondContact O-NH1 3.4Å; H76-R81 VanDerWaalsContact O-NH1 3.12Å; H76-L82 PolarHBondContact NE2-N 2.9Å; H76-L82 PolarHBondContact NE2-O 3.36Å
77A89.1Confident89.7Confident43 Ų4329.2 Ų29.236%0.35515%0.149SC..THydrogen-bonded Turntrans-66.3-23.1176.200000112.5T45 R73 L74T45-A77 HydrophobicContact CG2-CB 3.83Å; R73-A77 PolarHBondContact O-N 3.28Å; L74-A77 VanDerWaalsContact O-CB 3.29Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 3.12Å
78S88Confident89.7Confident5 Ų530 Ų304%0.03515%0.153CC..SBendtrans-89.5-176.3175.174.70000112.6H76 M80 R81H76-S78 PolarHBondContact O-N 2.9Å; S78-M80 PolarHBondContact O-N 2.94Å; S78-M80 WeakPolarHBondContact OG-CB 3.37Å; S78-M80 PolarHBondContact OG-N 2.86Å; S78-M80 VanDerWaalsContact OG-N 3.15Å; S78-R81 PolarHBondContact O-NH1 3.18Å
79I83Confident89.7Confident45 Ų4530.2 Ų30.223%0.23115%0.154CC..SBendtrans-68.3-13.6171.5-162.3167000113.6V38 T306 G307 F308V38-I79 HydrophobicContact CG2-CG2 3.77Å; I79-T306 WeakPolarHBondContact CD1-O 3.43Å; I79-T306 WeakPolarHBondContact CG1-O 3.5Å; I79-G307 WeakPolarHBondContact O-CA 3.42Å; I79-F308 HydrophobicContact CG2-CD1 4.04Å; I79-F308 HydrophobicContact CG2-CE1 3.69Å; I79-F308 PolarHBondContact O-N 2.92Å; I79-F308 VanDerWaalsContact O-N 3.16Å
80M87.9Confident89.9Confident0 Ų027.6 Ų27.60%014%0.138CC..EExtended strand (participates in β ladder)trans-72.9139.8179.4-173.6-17863.100110.8L21 L25 V38 I42 S78 L82 V310L21-M80 HydrophobicContact CD1-CE 3.98Å; L21-M80 HydrophobicContact CD2-CE 3.73Å; L21-M80 HydrophobicContact CD2-SD 4.3Å; L21-M80 HydrophobicContact CG-CE 4.46Å; L25-M80 HydrophobicContact CD2-SD 4.34Å; V38-M80 HydrophobicContact CG1-CB 4.15Å; V38-M80 HydrophobicContact CG1-CE 4.45Å; V38-M80 HydrophobicContact CG1-SD 4.33Å; V38-M80 HydrophobicContact CG2-CB 4.21Å; I42-M80 HydrophobicContact CD1-CE 4.48Å; S78-M80 PolarHBondContact O-N 2.94Å; S78-M80 WeakPolarHBondContact OG-CB 3.37Å; S78-M80 PolarHBondContact OG-N 2.86Å; S78-M80 VanDerWaalsContact OG-N 3.15Å; M80-L82 HydrophobicContact CE-CD1 3.67Å; M80-L82 HydrophobicContact CE-CD2 4.24Å; M80-L82 HydrophobicContact CE-CG 3.91Å; M80-L82 HydrophobicContact CG-CD2 4.37Å; M80-L82 HydrophobicContact CG-CG 4.46Å; M80-L82 HydrophobicContact SD-CD2 4.1Å; M80-L82 HydrophobicContact SD-CG 4.37Å; M80-V310 HydrophobicContact CG-CB 3.93Å; M80-V310 HydrophobicContact CG-CG2 3.69Å; M80-V310 HydrophobicContact SD-CB 4.16Å; M80-V310 HydrophobicContact SD-CG1 4.29Å; M80-V310 HydrophobicContact SD-CG2 4.09Å
81R86.5Confident90Very high89 Ų8927.8 Ų27.834%0.33614%0.139SC..EExtended strand (participates in β ladder)trans-122.4124.1173.3-63-69.8174.6-993.9110.4H76 S78 F308 R309 V310H76-R81 PolarHBondContact O-NH1 3.4Å; H76-R81 VanDerWaalsContact O-NH1 3.12Å; S78-R81 PolarHBondContact O-NH1 3.18Å; R81-F308 PolarHBondContact N-O 3.07Å; R81-R309 HydrophobicContact CB-CG 4.31Å; R81-R309 WeakPolarHBondContact O-CA 3.35Å; R81-V310 PolarHBondContact O-N 2.92Å
82L86.6Confident90Very high15 Ų1528.4 Ų28.48%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-106.4140.6179.1-64.5176.8000109.3L21 A75 H76 M80 M87 L90 V310 L312L21-L82 HydrophobicContact CD2-CD1 4.29Å; A75-L82 HydrophobicContact CB-CD1 4.21Å; H76-L82 PolarHBondContact NE2-N 2.9Å; H76-L82 PolarHBondContact NE2-O 3.36Å; M80-L82 HydrophobicContact CE-CD1 3.67Å; M80-L82 HydrophobicContact CE-CD2 4.24Å; M80-L82 HydrophobicContact CE-CG 3.91Å; M80-L82 HydrophobicContact CG-CD2 4.37Å; M80-L82 HydrophobicContact CG-CG 4.46Å; M80-L82 HydrophobicContact SD-CD2 4.1Å; M80-L82 HydrophobicContact SD-CG 4.37Å; L82-M87 HydrophobicContact CB-CG 3.66Å; L82-M87 HydrophobicContact CB-SD 3.52Å; L82-M87 VanDerWaalsContact CB-SD 3.52Å; L82-M87 HydrophobicContact CD1-CG 4.46Å; L82-M87 HydrophobicContact CD1-SD 3.23Å; L82-M87 WeakPolarHBondContact CD1-SD 3.5Å; L82-M87 HydrophobicContact CG-SD 3.96Å; L82-L90 HydrophobicContact CD1-CD2 3.97Å; L82-V310 HydrophobicContact CD2-CB 3.84Å; L82-V310 HydrophobicContact CD2-CG1 3.87Å; L82-V310 VanDerWaalsContact CD2-O 3.22Å; L82-V310 WeakPolarHBondContact CD2-O 3.39Å; L82-L312 HydrophobicContact CD1-CD1 3.65Å; L82-L312 HydrophobicContact CD1-CG 4.44Å; L82-L312 HydrophobicContact CD2-CD1 3.63Å; L82-L312 HydrophobicContact CD2-CD2 4.17Å; L82-L312 HydrophobicContact CD2-CG 3.54Å; L82-L312 HydrophobicContact CG-CD1 4.24Å
83N87.5Confident90.1Very high36 Ų3627.7 Ų27.719%0.19314%0.138CC..  trans-74.7163.9172.57525.1000110.2A85 S86 M87 N311 E319N83-A85 VanDerWaalsContact C-N 3.34Å; N83-A85 PolarHBondContact O-N 3Å; N83-A85 PolarHBondContact OD1-N 3.3Å; N83-S86 WeakPolarHBondContact O-CB 3.2Å; N83-S86 PolarHBondContact O-N 2.94Å; N83-S86 WeakPolarHBondContact OD1-CA 3.45Å; N83-S86 WeakPolarHBondContact OD1-CB 3.49Å; N83-S86 PolarHBondContact OD1-N 3.13Å; N83-S86 PolarHBondContact OD1-OG 3.11Å; N83-M87 PolarHBondContact O-N 3.49Å; N83-N311 PolarHBondContact ND2-OD1 3.39Å; N83-N311 VanDerWaalsContact ND2-OD1 3.11Å; N83-E319 PolarHBondContact ND2-OE1 3.33Å
84Q87.3Confident90.3Very high77 Ų7723.1 Ų23.136%0.3612%0.121SC..Hα-helixtrans-57.5-44-177.7-177.664.134.800112.7S86 M87 D88Q84-S86 VanDerWaalsContact C-N 3.34Å; Q84-S86 PolarHBondContact O-N 3.33Å; Q84-M87 PolarHBondContact O-N 3.2Å; Q84-D88 PolarHBondContact NE2-OD2 2.95Å; Q84-D88 WeakPolarHBondContact O-CB 3.12Å; Q84-D88 PolarHBondContact O-N 3.5Å
85A87.3Confident90.5Very high29 Ų2923.1 Ų23.124%0.2412%0.121CC..Hα-helixtrans-62.8-39.9179.700000112.4N83 D88 K89 E319N83-A85 VanDerWaalsContact C-N 3.34Å; N83-A85 PolarHBondContact O-N 3Å; N83-A85 PolarHBondContact OD1-N 3.3Å; A85-D88 PolarHBondContact O-N 3.47Å; A85-K89 WeakPolarHBondContact O-CG 3.22Å; A85-K89 PolarHBondContact O-N 3.2Å; A85-E319 HydrophobicContact CB-CG 4.48Å
86S89.4Confident90.8Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-65.6-41.3175.6-72.10000111N83 Q84 L90 L312N83-S86 WeakPolarHBondContact O-CB 3.2Å; N83-S86 PolarHBondContact O-N 2.94Å; N83-S86 WeakPolarHBondContact OD1-CA 3.45Å; N83-S86 WeakPolarHBondContact OD1-CB 3.49Å; N83-S86 PolarHBondContact OD1-N 3.13Å; N83-S86 PolarHBondContact OD1-OG 3.11Å; Q84-S86 VanDerWaalsContact C-N 3.34Å; Q84-S86 PolarHBondContact O-N 3.33Å; S86-L90 VanDerWaalsContact O-CB 3.29Å; S86-L90 WeakPolarHBondContact O-CB 3.25Å; S86-L90 PolarHBondContact O-N 3.05Å; S86-L312 PolarHBondContact OG-N 3.44Å
87M92.9Very high91Very high9 Ų921 Ų214%0.04411%0.111CC..Hα-helixtrans-67.8-39.7175.2-74.2-53.9-63.400113.1D72 A75 L82 N83 Q84 L90 Y91D72-M87 HydrophobicContact CB-CE 4.08Å; D72-M87 WeakPolarHBondContact OD1-CE 3.24Å; A75-M87 HydrophobicContact CB-CE 3.71Å; A75-M87 HydrophobicContact CB-SD 3.92Å; L82-M87 HydrophobicContact CB-CG 3.66Å; L82-M87 HydrophobicContact CB-SD 3.52Å; L82-M87 VanDerWaalsContact CB-SD 3.52Å; L82-M87 HydrophobicContact CD1-CG 4.46Å; L82-M87 HydrophobicContact CD1-SD 3.23Å; L82-M87 WeakPolarHBondContact CD1-SD 3.5Å; L82-M87 HydrophobicContact CG-SD 3.96Å; N83-M87 PolarHBondContact O-N 3.49Å; Q84-M87 PolarHBondContact O-N 3.2Å; M87-L90 HydrophobicContact CE-CD2 4.38Å; M87-L90 PolarHBondContact O-N 3.46Å; M87-L90 HydrophobicContact SD-CD2 4.07Å; M87-Y91 PolarHBondContact O-N 3.22Å; M87-Y91 VanDerWaalsContact O-N 3.07Å
88D90.8Very high91.5Very high18 Ų1819 Ų1910%0.0969%0.094CC..Hα-helixtrans-56.3-53.8171.6-82.7-47.9000111.7R68 Q84 A85 L90 Y91 D92 R326R68-D88 IonicContact CZ-OD1 3.87Å; R68-D88 IonicContact NE-OD1 3.6Å; R68-D88 IonicContact NH1-OD1 3.9Å; R68-D88 PolarHBondContact NH1-OD1 2.87Å; R68-D88 VanDerWaalsContact NH2-CG 3.31Å; R68-D88 IonicContact NH2-OD1 2.79Å; R68-D88 PolarHBondContact NH2-OD1 3.31Å; R68-D88 IonicContact NH2-OD2 2.72Å; Q84-D88 PolarHBondContact NE2-OD2 2.95Å; Q84-D88 WeakPolarHBondContact O-CB 3.12Å; Q84-D88 PolarHBondContact O-N 3.5Å; A85-D88 PolarHBondContact O-N 3.47Å; D88-L90 PolarHBondContact O-N 2.93Å; D88-Y91 PolarHBondContact O-N 3Å; D88-D92 WeakPolarHBondContact O-CB 3.47Å; D88-D92 PolarHBondContact O-N 3.26Å; D88-R326 IonicContact OD1-CZ 3.98Å; D88-R326 IonicContact OD1-NH1 3.19Å; D88-R326 PolarHBondContact OD1-NH1 2.79Å; D88-R326 IonicContact OD1-NH2 3.64Å; D88-R326 PolarHBondContact OD1-NH2 3.29Å; D88-R326 IonicContact OD2-NH1 2.75Å; D88-R326 PolarHBondContact OD2-NH1 3.16Å
89K90.9Very high91.9Very high21 Ų2119.8 Ų19.89%0.09110%0.097CC..Hα-helixtrans-63.5-39.4177.7-75.1177.1173.91780113.3A85 Y91 D92 L93 F313 E318 A322A85-K89 WeakPolarHBondContact O-CG 3.22Å; A85-K89 PolarHBondContact O-N 3.2Å; K89-Y91 VanDerWaalsContact C-N 3.35Å; K89-D92 PolarHBondContact O-N 3.01Å; K89-L93 WeakPolarHBondContact O-CB 3.27Å; K89-L93 VanDerWaalsContact O-CG 3.28Å; K89-L93 WeakPolarHBondContact O-CG 3.5Å; K89-L93 PolarHBondContact O-N 3.38Å; K89-F313 HydrophobicContact CB-CD2 4.1Å; K89-F313 HydrophobicContact CB-CE1 4.33Å; K89-F313 HydrophobicContact CB-CE2 3.3Å; K89-F313 HydrophobicContact CB-CZ 3.45Å; K89-F313 VanDerWaalsContact CB-CZ 3.45Å; K89-F313 HydrophobicContact CD-CB 4.44Å; K89-F313 HydrophobicContact CD-CD1 3.9Å; K89-F313 HydrophobicContact CD-CD2 3.28Å; K89-F313 HydrophobicContact CD-CE1 3.96Å; K89-F313 HydrophobicContact CD-CE2 3.37Å; K89-F313 HydrophobicContact CD-CG 3.58Å; K89-F313 HydrophobicContact CD-CZ 3.72Å; K89-F313 HydrophobicContact CG-CD2 4.36Å; K89-F313 HydrophobicContact CG-CE2 4.01Å; K89-F313 HydrophobicContact CG-CZ 4.23Å; K89-E318 WeakPolarHBondContact CE-O 3.02Å; K89-E318 PolarHBondContact NZ-O 3.33Å; K89-A322 HydrophobicContact CD-CB 4.29Å; K89-A322 HydrophobicContact CG-CB 4.15Å
90L94.1Very high92.6Very high2 Ų219.3 Ų19.31%0.019%0.093CC..Hα-helixtrans-57.7-50.5177.3177.260.1000110.3M17 I20 L21 A75 L82 S86 M87 D88 D92 L93 M94 L312M17-L90 HydrophobicContact CG-CD1 4.23Å; M17-L90 HydrophobicContact CG-CD2 4.06Å; M17-L90 HydrophobicContact CG-CG 4.35Å; I20-L90 HydrophobicContact CB-CD1 3.86Å; I20-L90 HydrophobicContact CD1-CD1 3.99Å; I20-L90 HydrophobicContact CG2-CD1 3.57Å; L21-L90 HydrophobicContact CD2-CD1 4.45Å; L21-L90 HydrophobicContact CD2-CD2 4.16Å; A75-L90 HydrophobicContact CB-CD2 4.4Å; L82-L90 HydrophobicContact CD1-CD2 3.97Å; S86-L90 VanDerWaalsContact O-CB 3.29Å; S86-L90 WeakPolarHBondContact O-CB 3.25Å; S86-L90 PolarHBondContact O-N 3.05Å; M87-L90 HydrophobicContact CE-CD2 4.38Å; M87-L90 PolarHBondContact O-N 3.46Å; M87-L90 HydrophobicContact SD-CD2 4.07Å; D88-L90 PolarHBondContact O-N 2.93Å; L90-D92 PolarHBondContact O-N 3.07Å; L90-L93 PolarHBondContact O-N 2.96Å; L90-M94 HydrophobicContact CD1-CG 4.36Å; L90-M94 HydrophobicContact CD1-SD 4.01Å; L90-M94 HydrophobicContact CG-SD 3.74Å; L90-M94 WeakPolarHBondContact O-CG 3.36Å; L90-M94 PolarHBondContact O-N 2.84Å; L90-M94 VanDerWaalsContact O-SD 3.41Å; L90-L312 HydrophobicContact CB-CD1 4.07Å; L90-L312 HydrophobicContact CD2-CD1 4.22Å
91Y95.2Very high93Very high6 Ų619.7 Ų19.72%0.02410%0.095CC..Hα-helixtrans-63.4-41178.6-169.3-98.6000112.5K64 R68 F71 M87 D88 K89 M94 T95K64-Y91 PolarHBondContact O-OH 3.18Å; R68-Y91 HydrophobicContact CB-CD2 4.3Å; R68-Y91 HydrophobicContact CB-CE1 4.24Å; R68-Y91 HydrophobicContact CB-CE2 3.96Å; R68-Y91 HydrophobicContact CG-CD1 4.48Å; R68-Y91 HydrophobicContact CG-CD2 4.31Å; R68-Y91 HydrophobicContact CG-CE2 4.46Å; R68-Y91 HydrophobicContact CG-CG 4.32Å; F71-Y91 HydrophobicContact CB-CD2 4.4Å; F71-Y91 HydrophobicContact CD2-CE2 4.09Å; M87-Y91 PolarHBondContact O-N 3.22Å; M87-Y91 VanDerWaalsContact O-N 3.07Å; D88-Y91 PolarHBondContact O-N 3Å; K89-Y91 VanDerWaalsContact C-N 3.35Å; Y91-M94 PolarHBondContact O-N 3.24Å; Y91-T95 HydrophobicContact CD1-CG2 3.99Å; Y91-T95 HydrophobicContact CE1-CG2 3.62Å; Y91-T95 HydrophobicContact CE2-CG2 4.24Å; Y91-T95 HydrophobicContact CG-CG2 4.46Å; Y91-T95 WeakPolarHBondContact O-CB 3.22Å; Y91-T95 VanDerWaalsContact O-CG2 3.29Å; Y91-T95 WeakPolarHBondContact O-CG2 3.14Å; Y91-T95 PolarHBondContact O-N 2.83Å; Y91-T95 PolarHBondContact O-OG1 3.04Å
92D94.5Very high93.5Very high17 Ų1715.5 Ų15.59%0.0918%0.079CC..Hα-helixtrans-64.6-40.5178.2-69.6-7.6000111.4D88 K89 L90 T95 M96 I171 R326D88-D92 WeakPolarHBondContact O-CB 3.47Å; D88-D92 PolarHBondContact O-N 3.26Å; K89-D92 PolarHBondContact O-N 3.01Å; L90-D92 PolarHBondContact O-N 3.07Å; D92-T95 PolarHBondContact O-OG1 3.42Å; D92-T95 VanDerWaalsContact O-OG1 3.12Å; D92-M96 VanDerWaalsContact O-CB 3.31Å; D92-M96 WeakPolarHBondContact O-CB 3.38Å; D92-M96 VanDerWaalsContact O-CG 3.24Å; D92-M96 WeakPolarHBondContact O-CG 3.36Å; D92-M96 PolarHBondContact O-N 3.23Å; D92-I171 HydrophobicContact CB-CD1 3.73Å; D92-I171 HydrophobicContact CB-CG2 4.09Å; D92-I171 VanDerWaalsContact OD1-CD1 3.31Å; D92-I171 WeakPolarHBondContact OD1-CD1 3.42Å; D92-R326 IonicContact OD1-NH2 3.59Å; D92-R326 IonicContact OD2-CZ 3.14Å; D92-R326 IonicContact OD2-NE 2.59Å; D92-R326 IonicContact OD2-NH2 2.82Å
93L95Very high93.9Very high27 Ų2717 Ų1714%0.1419%0.087CC..Hα-helixtrans-64.1-49.8174.2-73.9173.8000111.9I20 K89 L90 T95 M96 A97 V173 F313I20-L93 HydrophobicContact CD1-CB 3.65Å; I20-L93 HydrophobicContact CD1-CD1 4.43Å; I20-L93 HydrophobicContact CG2-CD1 4.45Å; K89-L93 WeakPolarHBondContact O-CB 3.27Å; K89-L93 VanDerWaalsContact O-CG 3.28Å; K89-L93 WeakPolarHBondContact O-CG 3.5Å; K89-L93 PolarHBondContact O-N 3.38Å; L90-L93 PolarHBondContact O-N 2.96Å; L93-T95 VanDerWaalsContact C-N 3.33Å; L93-T95 PolarHBondContact O-N 2.69Å; L93-M96 PolarHBondContact O-N 2.69Å; L93-A97 WeakPolarHBondContact O-CB 3.28Å; L93-A97 PolarHBondContact O-N 3.34Å; L93-V173 HydrophobicContact CD2-CB 4.39Å; L93-V173 HydrophobicContact CD2-CG1 3.54Å; L93-V173 HydrophobicContact CD2-CG2 4.1Å; L93-F313 HydrophobicContact CD1-CE1 4.12Å; L93-F313 HydrophobicContact CD1-CZ 3.86Å
94M96.4Very high94.2Very high2 Ų217.2 Ų17.21%0.019%0.088CC..Hα-helixtrans-56-49.2178.9-68.5157.352.200111.4L13 E16 M17 I20 F71 L90 Y91 A97 F98L13-M94 HydrophobicContact CB-CE 4.11Å; L13-M94 HydrophobicContact CD2-CB 4.11Å; L13-M94 WeakPolarHBondContact O-CE 3.41Å; E16-M94 HydrophobicContact CB-CB 4.15Å; E16-M94 HydrophobicContact CB-CG 4.11Å; M17-M94 HydrophobicContact CB-CE 3.79Å; M17-M94 HydrophobicContact CB-CG 4.07Å; M17-M94 HydrophobicContact CB-SD 3.56Å; M17-M94 VanDerWaalsContact CB-SD 3.56Å; M17-M94 HydrophobicContact CG-CE 4.25Å; M17-M94 HydrophobicContact CG-SD 3.71Å; M17-M94 HydrophobicContact SD-CE 4.47Å; M17-M94 HydrophobicContact SD-SD 4.44Å; I20-M94 HydrophobicContact CD1-CG 3.81Å; F71-M94 HydrophobicContact CB-CE 4.29Å; F71-M94 HydrophobicContact CD1-CE 3.55Å; F71-M94 HydrophobicContact CD2-CE 4.13Å; F71-M94 HydrophobicContact CE1-CE 3.87Å; F71-M94 HydrophobicContact CE2-CE 4.4Å; F71-M94 HydrophobicContact CG-CE 3.71Å; F71-M94 HydrophobicContact CZ-CE 4.29Å; L90-M94 HydrophobicContact CD1-CG 4.36Å; L90-M94 HydrophobicContact CD1-SD 4.01Å; L90-M94 HydrophobicContact CG-SD 3.74Å; L90-M94 WeakPolarHBondContact O-CG 3.36Å; L90-M94 PolarHBondContact O-N 2.84Å; L90-M94 VanDerWaalsContact O-SD 3.41Å; Y91-M94 PolarHBondContact O-N 3.24Å; M94-A97 PolarHBondContact O-N 3.34Å; M94-F98 PolarHBondContact O-N 2.74Å
95T96.3Very high94.5Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-68.7-43.1-176.552.80000112.2L13 Y91 D92 L93 K99 F166 M169L13-T95 HydrophobicContact CD2-CG2 4.04Å; Y91-T95 HydrophobicContact CD1-CG2 3.99Å; Y91-T95 HydrophobicContact CE1-CG2 3.62Å; Y91-T95 HydrophobicContact CE2-CG2 4.24Å; Y91-T95 HydrophobicContact CG-CG2 4.46Å; Y91-T95 WeakPolarHBondContact O-CB 3.22Å; Y91-T95 VanDerWaalsContact O-CG2 3.29Å; Y91-T95 WeakPolarHBondContact O-CG2 3.14Å; Y91-T95 PolarHBondContact O-N 2.83Å; Y91-T95 PolarHBondContact O-OG1 3.04Å; D92-T95 PolarHBondContact O-OG1 3.42Å; D92-T95 VanDerWaalsContact O-OG1 3.12Å; L93-T95 VanDerWaalsContact C-N 3.33Å; L93-T95 PolarHBondContact O-N 2.69Å; T95-K99 WeakPolarHBondContact O-CB 3.47Å; T95-K99 PolarHBondContact O-N 3.43Å; T95-F166 HydrophobicContact CG2-CE1 4.49Å; T95-M169 HydrophobicContact CG2-CE 3.99Å; T95-M169 WeakPolarHBondContact OG1-CE 3.47Å
96M96.5Very high94.6Very high0 Ų015.7 Ų15.70%08%0.082CC..Hα-helixtrans-68.3-35.3177.3-69.7-55.2-64.100112.2D92 L93 K99 Y100 M169 I171 V173 F176 F188D92-M96 VanDerWaalsContact O-CB 3.31Å; D92-M96 WeakPolarHBondContact O-CB 3.38Å; D92-M96 VanDerWaalsContact O-CG 3.24Å; D92-M96 WeakPolarHBondContact O-CG 3.36Å; D92-M96 PolarHBondContact O-N 3.23Å; L93-M96 PolarHBondContact O-N 2.69Å; M96-K99 HydrophobicContact CE-CD 4.26Å; M96-K99 HydrophobicContact SD-CD 4.17Å; M96-Y100 WeakPolarHBondContact O-CB 3.3Å; M96-Y100 PolarHBondContact O-N 3.27Å; M96-M169 HydrophobicContact SD-CB 4.23Å; M96-I171 WeakPolarHBondContact CE-O 3.33Å; M96-I171 HydrophobicContact CG-CB 3.88Å; M96-I171 HydrophobicContact CG-CG1 4.5Å; M96-I171 HydrophobicContact SD-CB 4.14Å; M96-I171 HydrophobicContact SD-CG1 4.41Å; M96-V173 HydrophobicContact CB-CG2 3.78Å; M96-V173 HydrophobicContact CG-CG2 3.98Å; M96-F176 HydrophobicContact CB-CE2 4.25Å; M96-F188 HydrophobicContact CE-CD2 4.47Å; M96-F188 HydrophobicContact CE-CE2 3.53Å; M96-F188 HydrophobicContact CE-CZ 3.61Å; M96-F188 WeakPolarHBondContact O-CZ 3.48Å
97A96.5Very high94.6Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-67.3-48.9176.700000112.3E16 L93 M94 K99 Y100 Q101 F176 M250 Y251E16-A97 HydrophobicContact CG-CB 4.22Å; E16-A97 WeakPolarHBondContact OE2-CB 3.49Å; L93-A97 WeakPolarHBondContact O-CB 3.28Å; L93-A97 PolarHBondContact O-N 3.34Å; M94-A97 PolarHBondContact O-N 3.34Å; A97-K99 PolarHBondContact O-N 3.01Å; A97-Y100 WeakPolarHBondContact O-CB 3.31Å; A97-Y100 PolarHBondContact O-N 2.71Å; A97-Q101 WeakPolarHBondContact O-CG 3.29Å; A97-Q101 PolarHBondContact O-N 3.21Å; A97-Q101 VanDerWaalsContact O-N 3.07Å; A97-F176 HydrophobicContact CB-CZ 4.07Å; A97-M250 HydrophobicContact CB-SD 4.17Å; A97-Y251 VanDerWaalsContact CB-OH 3.3Å; A97-Y251 WeakPolarHBondContact CB-OH 3.45Å
98F97.8Very high94.6Very high0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-67.9-37.6177.8-175.5-136.2000111.9L9 N12 L13 E16 M94 Y100 Q101 V102 V114 L162 F166L9-F98 HydrophobicContact CD1-CD1 4.07Å; L9-F98 HydrophobicContact CD1-CE1 3.9Å; N12-F98 HydrophobicContact CB-CD1 3.83Å; N12-F98 HydrophobicContact CB-CD2 3.48Å; N12-F98 VanDerWaalsContact CB-CD2 3.48Å; N12-F98 HydrophobicContact CB-CE1 3.7Å; N12-F98 HydrophobicContact CB-CE2 3.29Å; N12-F98 HydrophobicContact CB-CG 3.78Å; N12-F98 HydrophobicContact CB-CZ 3.43Å; N12-F98 VanDerWaalsContact CB-CZ 3.43Å; N12-F98 VanDerWaalsContact CG-CZ 3.45Å; N12-F98 WeakPolarHBondContact ND2-CZ 3.48Å; N12-F98 WeakPolarHBondContact OD1-CE2 3.39Å; L13-F98 HydrophobicContact CD2-CB 4.05Å; L13-F98 HydrophobicContact CD2-CD1 4.24Å; L13-F98 HydrophobicContact CG-CD1 4.32Å; E16-F98 HydrophobicContact CG-CB 4.44Å; M94-F98 PolarHBondContact O-N 2.74Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.44Å; F98-Q101 HydrophobicContact CD2-CB 4.45Å; F98-Q101 PolarHBondContact O-N 3.34Å; F98-Q101 VanDerWaalsContact O-N 3.16Å; F98-V102 HydrophobicContact CD2-CG2 4.06Å; F98-V102 HydrophobicContact CE1-CG2 4.16Å; F98-V102 HydrophobicContact CE2-CG2 3.62Å; F98-V102 HydrophobicContact CG-CG2 4.49Å; F98-V102 HydrophobicContact CZ-CG2 3.66Å; F98-V102 WeakPolarHBondContact O-CG2 3.18Å; F98-V102 PolarHBondContact O-N 3.32Å; F98-V114 HydrophobicContact CE2-CG1 4.32Å; F98-L162 HydrophobicContact CE1-CD2 4.09Å; F98-L162 HydrophobicContact CZ-CD1 4.23Å; F98-F166 HydrophobicContact CB-CZ 4.5Å; F98-F166 AromaticContact CD1-CE2 3.83Å; F98-F166 HydrophobicContact CD1-CE2 3.83Å; F98-F166 AromaticContact CD1-CZ 3.55Å; F98-F166 HydrophobicContact CD1-CZ 3.55Å; F98-F166 HydrophobicContact CE1-CE2 4.07Å; F98-F166 HydrophobicContact CE1-CZ 4.13Å; F98-F166 HydrophobicContact CG-CZ 4.37Å
99K97.5Very high94.7Very high22 Ų2220 Ų2010%0.09610%0.101CC..Hα-helixtrans-53-48.1170.3175.2179.3-178.3158.10111.5T95 M96 A97 Q101 V102 L103 F166 M169 F188T95-K99 WeakPolarHBondContact O-CB 3.47Å; T95-K99 PolarHBondContact O-N 3.43Å; M96-K99 HydrophobicContact CE-CD 4.26Å; M96-K99 HydrophobicContact SD-CD 4.17Å; A97-K99 PolarHBondContact O-N 3.01Å; K99-Q101 VanDerWaalsContact C-N 3.34Å; K99-Q101 PolarHBondContact O-N 2.88Å; K99-V102 PolarHBondContact O-N 3.22Å; K99-L103 HydrophobicContact CG-CD1 4.12Å; K99-L103 WeakPolarHBondContact O-CG 3.28Å; K99-L103 PolarHBondContact O-N 3.49Å; K99-F166 HydrophobicContact CB-CB 4.13Å; K99-F166 HydrophobicContact CB-CD1 3.91Å; K99-F166 HydrophobicContact CB-CD2 4.16Å; K99-F166 HydrophobicContact CB-CE1 4.42Å; K99-F166 HydrophobicContact CB-CG 3.79Å; K99-F166 HydrophobicContact CD-CB 3.9Å; K99-F166 HydrophobicContact CD-CG 4.44Å; K99-F166 HydrophobicContact CG-CB 3.83Å; K99-F166 HydrophobicContact CG-CG 4.06Å; K99-F166 PolarHBondContact NZ-O 2.66Å; K99-M169 PolarHBondContact NZ-O 3.11Å; K99-F188 HydrophobicContact CB-CE2 4.48Å; K99-F188 HydrophobicContact CD-CE2 4.02Å; K99-F188 HydrophobicContact CG-CE2 4.05Å
100Y96.6Very high94.9Very high35 Ų3519.8 Ų19.814%0.13710%0.1CC..Hα-helixtrans-60.1-44.8178.9-176.2-122.8000111.6M96 A97 F98 V102 L103 L104 F176 V181 F188M96-Y100 WeakPolarHBondContact O-CB 3.3Å; M96-Y100 PolarHBondContact O-N 3.27Å; A97-Y100 WeakPolarHBondContact O-CB 3.31Å; A97-Y100 PolarHBondContact O-N 2.71Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.44Å; Y100-V102 PolarHBondContact O-N 3.46Å; Y100-L103 PolarHBondContact O-N 2.89Å; Y100-L104 HydrophobicContact CD1-CD1 4.03Å; Y100-L104 HydrophobicContact CD2-CD1 4.44Å; Y100-L104 HydrophobicContact CD2-CG 4.39Å; Y100-L104 HydrophobicContact CE1-CD1 3.46Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.46Å; Y100-L104 HydrophobicContact CE1-CG 4.38Å; Y100-L104 HydrophobicContact CE2-CD1 3.93Å; Y100-L104 HydrophobicContact CE2-CD2 4.29Å; Y100-L104 HydrophobicContact CE2-CG 4.05Å; Y100-L104 HydrophobicContact CG-CD1 4.48Å; Y100-L104 VanDerWaalsContact CZ-CD1 3.41Å; Y100-L104 WeakPolarHBondContact O-CG 3.47Å; Y100-L104 PolarHBondContact O-N 3.44Å; Y100-F176 AromaticContact CD1-CE1 3.85Å; Y100-F176 HydrophobicContact CD1-CE1 3.85Å; Y100-F176 HydrophobicContact CD1-CZ 4.31Å; Y100-F176 HydrophobicContact CE1-CE1 4.33Å; Y100-F176 HydrophobicContact CG-CE1 4.37Å; Y100-V181 HydrophobicContact CE1-CG2 4.34Å; Y100-V181 HydrophobicContact CE2-CB 4.1Å; Y100-V181 HydrophobicContact CE2-CG2 4.24Å; Y100-V181 WeakPolarHBondContact OH-CB 3.45Å; Y100-V181 WeakPolarHBondContact OH-CG1 3.27Å; Y100-F188 HydrophobicContact CD2-CB 4.27Å; Y100-F188 AromaticContact CD2-CD1 3.37Å; Y100-F188 HydrophobicContact CD2-CD1 3.37Å; Y100-F188 HydrophobicContact CD2-CD2 4.16Å; Y100-F188 AromaticContact CD2-CE1 3.61Å; Y100-F188 HydrophobicContact CD2-CE1 3.61Å; Y100-F188 HydrophobicContact CD2-CE2 4.33Å; Y100-F188 AromaticContact CD2-CG 3.68Å; Y100-F188 HydrophobicContact CD2-CG 3.68Å; Y100-F188 HydrophobicContact CD2-CZ 4.09Å; Y100-F188 AromaticContact CE2-CD1 3.88Å; Y100-F188 HydrophobicContact CE2-CD1 3.88Å; Y100-F188 HydrophobicContact CE2-CE1 4.37Å; Y100-F188 HydrophobicContact CE2-CG 4.32Å; Y100-F188 HydrophobicContact CG-CD1 4.14Å; Y100-F188 AromaticContact CG-CE1 3.9Å; Y100-F188 HydrophobicContact CG-CE1 3.9Å; Y100-F188 HydrophobicContact CG-CZ 4.13Å
101Q96.5Very high95Very high8 Ų819.8 Ų19.84%0.03710%0.1CC..Hα-helixtrans-62.2-43.9178.2-65.71701800112.1E16 A97 F98 K99 L103 L104 C105 V114 H118 L246E16-Q101 PolarHBondContact OE1-NE2 3.44Å; A97-Q101 WeakPolarHBondContact O-CG 3.29Å; A97-Q101 PolarHBondContact O-N 3.21Å; A97-Q101 VanDerWaalsContact O-N 3.07Å; F98-Q101 HydrophobicContact CD2-CB 4.45Å; F98-Q101 PolarHBondContact O-N 3.34Å; F98-Q101 VanDerWaalsContact O-N 3.16Å; K99-Q101 VanDerWaalsContact C-N 3.34Å; K99-Q101 PolarHBondContact O-N 2.88Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 3.07Å; Q101-L104 PolarHBondContact O-N 3.46Å; Q101-L104 VanDerWaalsContact O-N 3.15Å; Q101-C105 PolarHBondContact O-N 2.75Å; Q101-C105 PolarHBondContact O-SG 3.41Å; Q101-V114 HydrophobicContact CB-CG1 4.3Å; Q101-H118 PolarHBondContact OE1-CE1 2.89Å; Q101-L246 HydrophobicContact CG-CD2 4.43Å
102V97.1Very high95Very high1 Ų119.5 Ų19.51%0.00610%0.099CC..Hα-helixtrans-62.5-37.1176.8173.10000112.1F98 K99 Y100 L104 I111 R159 L162 L163F98-V102 HydrophobicContact CD2-CG2 4.06Å; F98-V102 HydrophobicContact CE1-CG2 4.16Å; F98-V102 HydrophobicContact CE2-CG2 3.62Å; F98-V102 HydrophobicContact CG-CG2 4.49Å; F98-V102 HydrophobicContact CZ-CG2 3.66Å; F98-V102 WeakPolarHBondContact O-CG2 3.18Å; F98-V102 PolarHBondContact O-N 3.32Å; K99-V102 PolarHBondContact O-N 3.22Å; Y100-V102 PolarHBondContact O-N 3.46Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-I111 HydrophobicContact CG1-CD1 4.43Å; V102-R159 HydrophobicContact CG1-CG 4.39Å; V102-R159 PolarHBondContact O-NH2 2.96Å; V102-L162 HydrophobicContact CG1-CB 4.28Å; V102-L162 HydrophobicContact CG2-CD1 4.14Å; V102-L163 HydrophobicContact CG1-CD2 3.96Å; V102-L163 HydrophobicContact CG1-CG 4.26Å
103L95.4Very high95.1Very high48 Ų4819 Ų1925%0.25110%0.096SC..Hα-helixtrans-67.2-37175.4-72.1168.8000111.8K99 Y100 Q101 R159 L163 F188 L190K99-L103 HydrophobicContact CG-CD1 4.12Å; K99-L103 WeakPolarHBondContact O-CG 3.28Å; K99-L103 PolarHBondContact O-N 3.49Å; Y100-L103 PolarHBondContact O-N 2.89Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 3.07Å; L103-R159 PolarHBondContact O-NH2 3.41Å; L103-L163 HydrophobicContact CD2-CD2 3.71Å; L103-L163 HydrophobicContact CG-CD2 4.37Å; L103-F188 HydrophobicContact CD1-CB 4.38Å; L103-F188 HydrophobicContact CD1-CD2 3.68Å; L103-F188 HydrophobicContact CD1-CE2 4.47Å; L103-F188 HydrophobicContact CD1-CG 4.41Å; L103-L190 HydrophobicContact CB-CD2 3.9Å
104L94Very high95.2Very high39 Ų3917.7 Ų17.720%0.2049%0.09CC..Hα-helixtrans-79.2-16.4-179.7-71.3-174.6000114.7Y100 Q101 V102 P106 L190 P191 L246Y100-L104 HydrophobicContact CD1-CD1 4.03Å; Y100-L104 HydrophobicContact CD2-CD1 4.44Å; Y100-L104 HydrophobicContact CD2-CG 4.39Å; Y100-L104 HydrophobicContact CE1-CD1 3.46Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.46Å; Y100-L104 HydrophobicContact CE1-CG 4.38Å; Y100-L104 HydrophobicContact CE2-CD1 3.93Å; Y100-L104 HydrophobicContact CE2-CD2 4.29Å; Y100-L104 HydrophobicContact CE2-CG 4.05Å; Y100-L104 HydrophobicContact CG-CD1 4.48Å; Y100-L104 VanDerWaalsContact CZ-CD1 3.41Å; Y100-L104 WeakPolarHBondContact O-CG 3.47Å; Y100-L104 PolarHBondContact O-N 3.44Å; Q101-L104 PolarHBondContact O-N 3.46Å; Q101-L104 VanDerWaalsContact O-N 3.15Å; V102-L104 VanDerWaalsContact C-N 3.34Å; L104-P106 WeakPolarHBondContact O-CD 3.44Å; L104-P106 VanDerWaalsContact O-N 3.13Å; L104-L190 HydrophobicContact CD2-CD2 4.21Å; L104-P191 VanDerWaalsContact CD2-CD 3.48Å; L104-P191 HydrophobicContact CD2-CG 3.87Å; L104-L246 HydrophobicContact CB-CD1 4.05Å; L104-L246 HydrophobicContact CB-CD2 3.92Å; L104-L246 HydrophobicContact CD1-CD2 3.84Å
105C93.3Very high95.2Very high2 Ų217.6 Ų17.61%0.0149%0.089CC..  trans-57.4116.1177.2-71.90000111.1Q101 D110 I111 R159Q101-C105 PolarHBondContact O-N 2.75Å; Q101-C105 PolarHBondContact O-SG 3.41Å; C105-D110 HydrophobicContact CB-CB 4.33Å; C105-I111 HydrophobicContact CB-CG1 4.2Å; C105-R159 PolarHBondContact O-NH1 3.29Å; C105-R159 PolarHBondContact O-NH2 3.48Å
106P89.1Confident95.3Very high72 Ų7217.7 Ų17.747%0.4689%0.09SC..SBendtrans-68.8-43.2-180-19.432.7000111.6L104 D110 P197L104-P106 WeakPolarHBondContact O-CD 3.44Å; L104-P106 VanDerWaalsContact O-N 3.13Å; P106-D110 WeakPolarHBondContact CD-OD2 3.26Å; P106-P197 HydrophobicContact CB-CB 4.29Å; P106-P197 HydrophobicContact CB-CG 3.69Å
107R91.1Very high95.3Very high48 Ų4818.6 Ų18.618%0.18110%0.095CC..SBendtrans-107.1149.4173-51.8178-62.9174.96.2110.6K109 D110 P197 E233R107-K109 PolarHBondContact O-N 3.07Å; R107-D110 VanDerWaalsContact CB-OD2 3.31Å; R107-D110 WeakPolarHBondContact CB-OD2 3.37Å; R107-D110 IonicContact CZ-OD1 3.89Å; R107-D110 VanDerWaalsContact CZ-OD1 3.31Å; R107-D110 PolarHBondContact N-OD2 2.84Å; R107-D110 IonicContact NE-OD1 2.77Å; R107-D110 PolarHBondContact NE-OD1 2.97Å; R107-D110 IonicContact NE-OD2 2.66Å; R107-D110 IonicContact NH2-OD1 2.95Å; R107-D110 PolarHBondContact NH2-OD1 3.01Å; R107-D110 WeakPolarHBondContact O-CB 3.36Å; R107-D110 PolarHBondContact O-N 3.46Å; R107-P197 HydrophobicContact CG-CB 3.67Å; R107-P197 HydrophobicContact CG-CG 4.46Å; R107-E233 IonicContact CZ-OE1 2.79Å; R107-E233 IonicContact NH1-OE1 2.9Å; R107-E233 PolarHBondContact NH1-OE1 2.99Å; R107-E233 VanDerWaalsContact NH1-OE1 3.14Å; R107-E233 IonicContact NH2-OE1 3.34Å
108P93.1Very high95.4Very high22 Ų2218.6 Ų18.614%0.14310%0.095CC..THydrogen-bonded Turntrans-59.2-36.1175-2637.9000113.2D110 I111 F155 Q156 R159P108-D110 PolarHBondContact O-N 2.96Å; P108-I111 WeakPolarHBondContact O-CB 3.44Å; P108-I111 WeakPolarHBondContact O-CG1 3.36Å; P108-I111 PolarHBondContact O-N 3.35Å; P108-F155 HydrophobicContact CB-CB 3.74Å; P108-Q156 HydrophobicContact CB-CB 4.42Å; P108-Q156 HydrophobicContact CG-CB 4.2Å; P108-R159 HydrophobicContact CB-CB 4.39Å
109K92.9Very high95.3Very high49 Ų4918.6 Ų18.621%0.21310%0.095CC..THydrogen-bonded Turntrans-65.2-21176.4-168169.3-176.9168.40113.3R107 I111 L112 F155 F236R107-K109 PolarHBondContact O-N 3.07Å; K109-I111 PolarHBondContact O-N 2.87Å; K109-L112 WeakPolarHBondContact O-CB 3.4Å; K109-L112 PolarHBondContact O-N 3.1Å; K109-L112 VanDerWaalsContact O-N 3.1Å; K109-F155 HydrophobicContact CB-CD1 4.49Å; K109-F155 HydrophobicContact CB-CD2 4.23Å; K109-F155 HydrophobicContact CB-CE2 4.49Å; K109-F155 HydrophobicContact CB-CG 4.23Å; K109-F155 HydrophobicContact CD-CE2 4.28Å; K109-F155 HydrophobicContact CG-CD2 4.13Å; K109-F155 HydrophobicContact CG-CE1 4.45Å; K109-F155 HydrophobicContact CG-CE2 3.91Å; K109-F155 HydrophobicContact CG-CG 4.48Å; K109-F155 HydrophobicContact CG-CZ 4.08Å; K109-F236 HydrophobicContact CD-CE1 4.38Å; K109-F236 HydrophobicContact CD-CZ 4.11Å; K109-F236 HydrophobicContact CG-CE1 3.88Å; K109-F236 HydrophobicContact CG-CZ 3.87Å
110D93.6Very high95.3Very high15 Ų1519.4 Ų19.48%0.0810%0.1CC..Hα-helixtrans-69.3-15.9179.2-58.2-25.8000112C105 P106 R107 P108 L112 L113 V114C105-D110 HydrophobicContact CB-CB 4.33Å; P106-D110 WeakPolarHBondContact CD-OD2 3.26Å; R107-D110 VanDerWaalsContact CB-OD2 3.31Å; R107-D110 WeakPolarHBondContact CB-OD2 3.37Å; R107-D110 IonicContact CZ-OD1 3.89Å; R107-D110 VanDerWaalsContact CZ-OD1 3.31Å; R107-D110 PolarHBondContact N-OD2 2.84Å; R107-D110 IonicContact NE-OD1 2.77Å; R107-D110 PolarHBondContact NE-OD1 2.97Å; R107-D110 IonicContact NE-OD2 2.66Å; R107-D110 IonicContact NH2-OD1 2.95Å; R107-D110 PolarHBondContact NH2-OD1 3.01Å; R107-D110 WeakPolarHBondContact O-CB 3.36Å; R107-D110 PolarHBondContact O-N 3.46Å; P108-D110 PolarHBondContact O-N 2.96Å; D110-L112 PolarHBondContact O-N 3.35Å; D110-L113 HydrophobicContact CB-CD1 4.48Å; D110-L113 WeakPolarHBondContact O-CB 3.48Å; D110-L113 PolarHBondContact O-N 3.43Å; D110-V114 WeakPolarHBondContact O-CG2 3.45Å; D110-V114 PolarHBondContact O-N 3.36Å; D110-V114 VanDerWaalsContact O-N 3.1Å
111I96Very high95.2Very high2 Ų218.5 Ų18.51%0.0110%0.1CC..Hα-helixtrans-60.3-34.1170.9-63.3169.5000111L8 V102 C105 P108 K109 L113 V114 S115 R159 L162L8-I111 HydrophobicContact CD1-CG2 4.29Å; V102-I111 HydrophobicContact CG1-CD1 4.43Å; C105-I111 HydrophobicContact CB-CG1 4.2Å; P108-I111 WeakPolarHBondContact O-CB 3.44Å; P108-I111 WeakPolarHBondContact O-CG1 3.36Å; P108-I111 PolarHBondContact O-N 3.35Å; K109-I111 PolarHBondContact O-N 2.87Å; I111-L113 VanDerWaalsContact C-N 3.35Å; I111-V114 WeakPolarHBondContact O-CB 3.45Å; I111-V114 PolarHBondContact O-N 3.25Å; I111-S115 PolarHBondContact O-N 3.39Å; I111-S115 VanDerWaalsContact O-N 3.08Å; I111-S115 PolarHBondContact O-OG 3.41Å; I111-R159 HydrophobicContact CD1-CB 3.62Å; I111-R159 HydrophobicContact CD1-CG 3.78Å; I111-L162 HydrophobicContact CD1-CD1 4.18Å; I111-L162 HydrophobicContact CG2-CD1 4.06Å
112L96.4Very high95.3Very high1 Ų118.1 Ų18.11%0.00510%0.098CC..Hα-helixtrans-64.4-43.1173.5-178.158.9000110.1L8 K109 D110 V114 S115 L116 Y147 F155 F236L8-L112 HydrophobicContact CD2-CD1 4.46Å; K109-L112 WeakPolarHBondContact O-CB 3.4Å; K109-L112 PolarHBondContact O-N 3.1Å; K109-L112 VanDerWaalsContact O-N 3.1Å; D110-L112 PolarHBondContact O-N 3.35Å; L112-V114 VanDerWaalsContact C-N 3.28Å; L112-V114 PolarHBondContact O-N 2.85Å; L112-S115 CarbonylContact O-C 3.44Å; L112-S115 WeakPolarHBondContact O-CA 3.34Å; L112-S115 WeakPolarHBondContact O-CB 3.49Å; L112-S115 PolarHBondContact O-N 3.04Å; L112-L116 HydrophobicContact CD1-CD2 4.25Å; L112-L116 HydrophobicContact CD1-CG 4.3Å; L112-L116 HydrophobicContact CG-CD1 4.33Å; L112-L116 HydrophobicContact CG-CG 4.28Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.1Å; L112-Y147 HydrophobicContact CD1-CD2 4.35Å; L112-Y147 HydrophobicContact CD1-CG 4.35Å; L112-F155 HydrophobicContact CB-CE1 3.95Å; L112-F155 HydrophobicContact CB-CZ 4.21Å; L112-F155 HydrophobicContact CD2-CZ 4.09Å; L112-F236 HydrophobicContact CB-CD1 4.41Å; L112-F236 HydrophobicContact CB-CE1 4.2Å; L112-F236 HydrophobicContact CD2-CD1 3.7Å; L112-F236 HydrophobicContact CD2-CE1 4.16Å; L112-F236 HydrophobicContact CG-CD1 4.08Å; L112-F236 HydrophobicContact CG-CE1 4.37Å
113L95.7Very high95.2Very high5 Ų519.3 Ų19.33%0.02610%0.103CC..Hα-helixtrans-60.2-37176.7-63.1174.2000112.5D110 I111 L116 N117 S235 F236 T244D110-L113 HydrophobicContact CB-CD1 4.48Å; D110-L113 WeakPolarHBondContact O-CB 3.48Å; D110-L113 PolarHBondContact O-N 3.43Å; I111-L113 VanDerWaalsContact C-N 3.35Å; L113-L116 PolarHBondContact O-N 3.34Å; L113-N117 PolarHBondContact O-N 3.14Å; L113-S235 WeakPolarHBondContact CD2-O 3.44Å; L113-F236 HydrophobicContact CD1-CE1 4.33Å; L113-F236 HydrophobicContact CD1-CZ 4Å; L113-F236 HydrophobicContact CD2-CD1 3.7Å; L113-F236 HydrophobicContact CD2-CD2 4.34Å; L113-F236 HydrophobicContact CD2-CE1 3.53Å; L113-F236 HydrophobicContact CD2-CE2 4.18Å; L113-F236 HydrophobicContact CD2-CG 4.12Å; L113-F236 HydrophobicContact CD2-CZ 3.78Å; L113-F236 HydrophobicContact CG-CD1 4.22Å; L113-F236 HydrophobicContact CG-CE1 3.56Å; L113-F236 HydrophobicContact CG-CZ 3.75Å; L113-T244 HydrophobicContact CB-CG2 3.84Å; L113-T244 HydrophobicContact CD1-CG2 4.46Å
114V97.2Very high95.2Very high1 Ų122 Ų221%0.00612%0.118CC..Hα-helixtrans-58.6-50.9172.1-177.50000110.1N12 F98 Q101 D110 I111 L112 L116 N117 H118 L246N12-V114 WeakPolarHBondContact OD1-CG1 3.37Å; F98-V114 HydrophobicContact CE2-CG1 4.32Å; Q101-V114 HydrophobicContact CB-CG1 4.3Å; D110-V114 WeakPolarHBondContact O-CG2 3.45Å; D110-V114 PolarHBondContact O-N 3.36Å; D110-V114 VanDerWaalsContact O-N 3.1Å; I111-V114 WeakPolarHBondContact O-CB 3.45Å; I111-V114 PolarHBondContact O-N 3.25Å; L112-V114 VanDerWaalsContact C-N 3.28Å; L112-V114 PolarHBondContact O-N 2.85Å; V114-L116 VanDerWaalsContact C-N 3.3Å; V114-L116 PolarHBondContact O-N 3.08Å; V114-N117 WeakPolarHBondContact O-CB 3.43Å; V114-N117 PolarHBondContact O-N 3.27Å; V114-N117 VanDerWaalsContact O-N 3.09Å; V114-H118 PolarHBondContact O-N 3.23Å; V114-H118 PolarHBondContact O-ND1 3.06Å; V114-H118 VanDerWaalsContact O-ND1 3.15Å; V114-L246 HydrophobicContact CG2-CB 3.62Å; V114-L246 HydrophobicContact CG2-CD1 4.38Å
115S97.4Very high95.3Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-60.4-40.6180-45.70000111.8N12 I111 L112 H118 M119N12-S115 PolarHBondContact ND2-OG 3.26Å; N12-S115 VanDerWaalsContact OD1-CA 3.31Å; N12-S115 WeakPolarHBondContact OD1-CA 2.93Å; N12-S115 PolarHBondContact OD1-N 3.1Å; N12-S115 PolarHBondContact OD1-OG 2.77Å; I111-S115 PolarHBondContact O-N 3.39Å; I111-S115 VanDerWaalsContact O-N 3.08Å; I111-S115 PolarHBondContact O-OG 3.41Å; L112-S115 CarbonylContact O-C 3.44Å; L112-S115 WeakPolarHBondContact O-CA 3.34Å; L112-S115 WeakPolarHBondContact O-CB 3.49Å; L112-S115 PolarHBondContact O-N 3.04Å; S115-H118 PolarHBondContact O-N 3.13Å; S115-M119 WeakPolarHBondContact O-CG 3.41Å; S115-M119 PolarHBondContact O-N 2.9Å
116L97.1Very high95.5Very high1 Ų122 Ų221%0.00512%0.116CC..Hα-helixtrans-66.7-37.1176.6-63.1-175.1000111.8L112 L113 V114 M119 D120 Y140 F236L112-L116 HydrophobicContact CD1-CD2 4.25Å; L112-L116 HydrophobicContact CD1-CG 4.3Å; L112-L116 HydrophobicContact CG-CD1 4.33Å; L112-L116 HydrophobicContact CG-CG 4.28Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.1Å; L113-L116 PolarHBondContact O-N 3.34Å; V114-L116 VanDerWaalsContact C-N 3.3Å; V114-L116 PolarHBondContact O-N 3.08Å; L116-M119 PolarHBondContact O-N 3.39Å; L116-D120 WeakPolarHBondContact O-CB 3.3Å; L116-D120 PolarHBondContact O-N 2.97Å; L116-Y140 WeakPolarHBondContact CB-OH 3.37Å; L116-Y140 HydrophobicContact CD2-CD1 4.45Å; L116-Y140 HydrophobicContact CD2-CE1 3.62Å; L116-F236 HydrophobicContact CD1-CD1 4.46Å
117N97.2Very high95.7Very high19 Ų1924.8 Ų24.810%0.10212%0.121CC..Hα-helixtrans-62.6-40.3172.3-92.8-31.2000112.1L113 V114 D120 A121 R242 T244 L246 T248L113-N117 PolarHBondContact O-N 3.14Å; V114-N117 WeakPolarHBondContact O-CB 3.43Å; V114-N117 PolarHBondContact O-N 3.27Å; V114-N117 VanDerWaalsContact O-N 3.09Å; N117-D120 PolarHBondContact O-N 3.16Å; N117-A121 PolarHBondContact O-N 3.07Å; N117-A121 VanDerWaalsContact O-N 3.13Å; N117-R242 WeakPolarHBondContact OD1-CG 3.17Å; N117-T244 PolarHBondContact ND2-O 3.5Å; N117-L246 PolarHBondContact ND2-O 3.4Å; N117-T248 HydrophobicContact CB-CG2 4.43Å
118H97.7Very high95.9Very high0 Ų027.4 Ų27.40%014%0.138CC..Hα-helixtrans-63.8-42.9172.6-69.9109000111.4N12 E16 Y19 Q101 V114 S115 D120 A121 I122N12-H118 PolarHBondContact OD1-CE1 3.2Å; N12-H118 PolarHBondContact OD1-ND1 3.28Å; E16-H118 IonicContact OE1-CD2 3.76Å; E16-H118 IonicContact OE1-CE1 2.68Å; E16-H118 IonicContact OE1-NE2 3.03Å; E16-H118 PolarHBondContact OE1-NE2 3.03Å; Y19-H118 AromaticContact CE2-CD2 3.46Å; Y19-H118 VanDerWaalsContact CE2-CD2 3.46Å; Y19-H118 WeakPolarHBondContact CE2-CD2 3.3Å; Y19-H118 AromaticContact CE2-NE2 3.81Å; Q101-H118 PolarHBondContact OE1-CE1 2.89Å; V114-H118 PolarHBondContact O-N 3.23Å; V114-H118 PolarHBondContact O-ND1 3.06Å; V114-H118 VanDerWaalsContact O-ND1 3.15Å; S115-H118 PolarHBondContact O-N 3.13Å; H118-D120 PolarHBondContact O-N 3.35Å; H118-A121 PolarHBondContact O-N 3.39Å; H118-I122 WeakPolarHBondContact O-CG1 3.32Å; H118-I122 PolarHBondContact O-N 3.12Å
119M97.3Very high96Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-62-42.2176.7-70.9-62.1-62.400112.4I11 F47 S115 L116 A121 I122 K123 V136 T139 Y140 L143I11-M119 HydrophobicContact CG2-CG 4.11Å; I11-M119 HydrophobicContact CG2-SD 3.66Å; F47-M119 HydrophobicContact CE1-CE 3.76Å; F47-M119 HydrophobicContact CE1-SD 3.87Å; F47-M119 HydrophobicContact CZ-CE 4.18Å; F47-M119 HydrophobicContact CZ-SD 3.85Å; S115-M119 WeakPolarHBondContact O-CG 3.41Å; S115-M119 PolarHBondContact O-N 2.9Å; L116-M119 PolarHBondContact O-N 3.39Å; M119-A121 VanDerWaalsContact C-N 3.31Å; M119-A121 PolarHBondContact O-N 3.34Å; M119-I122 PolarHBondContact O-N 2.96Å; M119-K123 WeakPolarHBondContact O-CG 3.11Å; M119-K123 PolarHBondContact O-N 3.43Å; M119-V136 HydrophobicContact CE-CG1 3.66Å; M119-V136 WeakPolarHBondContact CE-O 3.39Å; M119-T139 HydrophobicContact CE-CG2 4.48Å; M119-Y140 HydrophobicContact CB-CD2 3.58Å; M119-Y140 HydrophobicContact CB-CE2 3.51Å; M119-Y140 HydrophobicContact CE-CD2 4.05Å; M119-Y140 HydrophobicContact CE-CG 4.34Å; M119-Y140 HydrophobicContact CG-CD2 4.32Å; M119-L143 HydrophobicContact CG-CD1 3.77Å; M119-L143 HydrophobicContact SD-CD1 4.16Å
120D96.2Very high96.1Very high39 Ų3930.2 Ų30.221%0.20916%0.161CC..Hα-helixtrans-57.7-45.3175.2-70.3-30.2000110.7L116 N117 H118 K123 D124 Y140 R242L116-D120 WeakPolarHBondContact O-CB 3.3Å; L116-D120 PolarHBondContact O-N 2.97Å; N117-D120 PolarHBondContact O-N 3.16Å; H118-D120 PolarHBondContact O-N 3.35Å; D120-K123 WeakPolarHBondContact O-CB 3.18Å; D120-K123 PolarHBondContact O-N 3.28Å; D120-D124 PolarHBondContact O-N 2.8Å; D120-Y140 PolarHBondContact OD1-OH 3.36Å; D120-R242 VanDerWaalsContact CG-NH2 3.35Å; D120-R242 IonicContact OD1-CZ 2.69Å; D120-R242 IonicContact OD1-NH2 3.31Å; D120-R242 PolarHBondContact OD1-NH2 2.94Å; D120-R242 IonicContact OD2-CZ 2.64Å; D120-R242 VanDerWaalsContact OD2-CZ 3.29Å; D120-R242 IonicContact OD2-NE 3.04Å; D120-R242 PolarHBondContact OD2-NE 2.84Å; D120-R242 IonicContact OD2-NH2 3.23Å; D120-R242 PolarHBondContact OD2-NH2 3.27Å
121A95.9Very high96.2Very high16 Ų1633.5 Ų33.513%0.13219%0.185CC..Hα-helixtrans-69.6-35.7177.500000113.7Y19 N117 H118 M119 K123 D124 F125Y19-A121 HydrophobicContact CE1-CB 3.47Å; Y19-A121 VanDerWaalsContact CE1-CB 3.47Å; Y19-A121 WeakPolarHBondContact OH-CB 3.33Å; N117-A121 PolarHBondContact O-N 3.07Å; N117-A121 VanDerWaalsContact O-N 3.13Å; H118-A121 PolarHBondContact O-N 3.39Å; M119-A121 VanDerWaalsContact C-N 3.31Å; M119-A121 PolarHBondContact O-N 3.34Å; A121-K123 VanDerWaalsContact C-N 3.32Å; A121-D124 WeakPolarHBondContact O-CB 3.4Å; A121-D124 PolarHBondContact O-N 2.63Å; A121-F125 VanDerWaalsContact O-CD2 3.32Å; A121-F125 WeakPolarHBondContact O-CD2 3.36Å; A121-F125 PolarHBondContact O-N 2.8Å
122I97.3Very high96.1Very high1 Ų133.8 Ų33.81%0.00519%0.187CC..Hα-helixtrans-62.9-42.9174.9-68.9167.7000110.1L18 I43 M46 F47 H118 M119 D124 F125 V126 V136L18-I122 HydrophobicContact CD1-CD1 4.02Å; L18-I122 HydrophobicContact CD1-CG1 3.71Å; I43-I122 HydrophobicContact CD1-CG2 4.32Å; I43-I122 HydrophobicContact CG1-CG2 4.49Å; I43-I122 HydrophobicContact CG2-CG2 3.96Å; M46-I122 HydrophobicContact CE-CD1 4.48Å; F47-I122 HydrophobicContact CE2-CD1 4.08Å; F47-I122 HydrophobicContact CE2-CG2 3.67Å; F47-I122 HydrophobicContact CZ-CD1 3.88Å; F47-I122 HydrophobicContact CZ-CG2 3.93Å; H118-I122 WeakPolarHBondContact O-CG1 3.32Å; H118-I122 PolarHBondContact O-N 3.12Å; M119-I122 PolarHBondContact O-N 2.96Å; I122-D124 VanDerWaalsContact C-N 3.29Å; I122-D124 PolarHBondContact O-N 3.04Å; I122-F125 WeakPolarHBondContact O-CB 3.26Å; I122-F125 PolarHBondContact O-N 2.87Å; I122-F125 VanDerWaalsContact O-N 3.15Å; I122-V126 PolarHBondContact O-N 3.07Å; I122-V136 HydrophobicContact CG2-CG1 3.95Å; I122-V136 HydrophobicContact CG2-CG2 3.96Å
123K95.9Very high96.1Very high25 Ų2535.7 Ų35.711%0.10920%0.197CC..Hα-helixtrans-57.8-42.9172.6-72.7178.160.1156.90111.5M119 D120 A121 F125 V126 K127 L133 V136 D137 Y140M119-K123 WeakPolarHBondContact O-CG 3.11Å; M119-K123 PolarHBondContact O-N 3.43Å; D120-K123 WeakPolarHBondContact O-CB 3.18Å; D120-K123 PolarHBondContact O-N 3.28Å; A121-K123 VanDerWaalsContact C-N 3.32Å; K123-F125 VanDerWaalsContact C-N 3.3Å; K123-F125 PolarHBondContact O-N 3.14Å; K123-V126 CarbonylContact O-C 3.6Å; K123-V126 PolarHBondContact O-N 3.21Å; K123-K127 PolarHBondContact O-N 3.27Å; K123-L133 HydrophobicContact CB-CD1 4.11Å; K123-L133 HydrophobicContact CG-CD1 4.11Å; K123-V136 HydrophobicContact CD-CG1 4.48Å; K123-V136 HydrophobicContact CG-CB 4.47Å; K123-V136 HydrophobicContact CG-CG1 3.53Å; K123-D137 WeakPolarHBondContact CD-OD1 3.48Å; K123-D137 WeakPolarHBondContact CE-OD1 3.48Å; K123-D137 IonicContact NZ-OD1 4Å; K123-D137 PolarHBondContact NZ-OD1 2.87Å; K123-Y140 HydrophobicContact CD-CD2 3.89Å; K123-Y140 HydrophobicContact CD-CE2 4.3Å
124D95.4Very high96.2Very high106 Ų10638.2 Ų38.257%0.56722%0.215SC*.Hα-helixtrans-62.6-33.8177.3-79-20.1000113.2D120 A121 I122 V126 K127D120-D124 PolarHBondContact O-N 2.8Å; A121-D124 WeakPolarHBondContact O-CB 3.4Å; A121-D124 PolarHBondContact O-N 2.63Å; I122-D124 VanDerWaalsContact C-N 3.29Å; I122-D124 PolarHBondContact O-N 3.04Å; D124-V126 VanDerWaalsContact C-N 3.33Å; D124-K127 WeakPolarHBondContact O-CD 3.39Å; D124-K127 WeakPolarHBondContact O-CG 3.29Å
125F95.6Very high96.1Very high41 Ų4141.1 Ų41.118%0.1823%0.228CC..Hα-helixtrans-66.1-33.8175.3-69-47000112.9L18 Y19 D22 M39 I43 A121 I122 K123L18-F125 HydrophobicContact CB-CD2 4.38Å; L18-F125 HydrophobicContact CB-CE2 3.94Å; Y19-F125 HydrophobicContact CD1-CE2 4.22Å; Y19-F125 HydrophobicContact CD1-CZ 4.06Å; Y19-F125 HydrophobicContact CE1-CE2 4.44Å; Y19-F125 HydrophobicContact CE1-CZ 4.45Å; D22-F125 HydrophobicContact CB-CE1 3.93Å; D22-F125 HydrophobicContact CB-CZ 4.01Å; M39-F125 HydrophobicContact CE-CD1 4Å; M39-F125 HydrophobicContact CE-CD2 3.71Å; M39-F125 HydrophobicContact CE-CE1 4.06Å; M39-F125 HydrophobicContact CE-CE2 3.8Å; M39-F125 HydrophobicContact CE-CG 3.84Å; M39-F125 HydrophobicContact CE-CZ 3.97Å; I43-F125 HydrophobicContact CD1-CB 3.79Å; I43-F125 HydrophobicContact CD1-CD2 4.36Å; I43-F125 HydrophobicContact CD1-CG 4.5Å; A121-F125 VanDerWaalsContact O-CD2 3.32Å; A121-F125 WeakPolarHBondContact O-CD2 3.36Å; A121-F125 PolarHBondContact O-N 2.8Å; I122-F125 WeakPolarHBondContact O-CB 3.26Å; I122-F125 PolarHBondContact O-N 2.87Å; I122-F125 VanDerWaalsContact O-N 3.15Å; K123-F125 VanDerWaalsContact C-N 3.3Å; K123-F125 PolarHBondContact O-N 3.14Å
126V96.4Very high96Very high0 Ų041.1 Ų41.10%023%0.228CC..Hα-helixtrans-110.911.8-174.2-57.50000114.3I43 I122 K123 D124 D128 T129 I132 L133 V136I43-V126 HydrophobicContact CB-CG1 4.11Å; I43-V126 HydrophobicContact CD1-CG1 3.48Å; I43-V126 VanDerWaalsContact CD1-CG1 3.48Å; I43-V126 HydrophobicContact CG1-CG1 4.38Å; I43-V126 HydrophobicContact CG2-CG1 3.84Å; I122-V126 PolarHBondContact O-N 3.07Å; K123-V126 CarbonylContact O-C 3.6Å; K123-V126 PolarHBondContact O-N 3.21Å; D124-V126 VanDerWaalsContact C-N 3.33Å; V126-D128 PolarHBondContact O-N 2.98Å; V126-T129 PolarHBondContact O-N 2.82Å; V126-I132 HydrophobicContact CB-CB 4.26Å; V126-I132 HydrophobicContact CB-CG2 4.09Å; V126-I132 HydrophobicContact CG1-CB 4.42Å; V126-I132 HydrophobicContact CG1-CG2 3.84Å; V126-I132 HydrophobicContact CG2-CG2 4.19Å; V126-L133 HydrophobicContact CG2-CB 4.31Å; V126-L133 HydrophobicContact CG2-CD1 4.23Å; V126-V136 HydrophobicContact CG2-CG2 4.17Å
127K94.6Very high96Very high130 Ų13043.1 Ų43.157%0.56524%0.239SC*.THydrogen-bonded Turntrans-53.4-28-177.467.7-174.3178.5-1760114.6K123 D124K123-K127 PolarHBondContact O-N 3.27Å; D124-K127 WeakPolarHBondContact O-CD 3.39Å; D124-K127 WeakPolarHBondContact O-CG 3.29Å
128D94.1Very high95.9Very high103 Ų10346.5 Ų46.555%0.55125%0.254SS*.THydrogen-bonded Turntrans-91.85.1179.5-55.1-33.7000113K36 V126K36-D128 IonicContact NZ-OD2 3.91Å; K36-D128 PolarHBondContact NZ-OD2 2.94Å; V126-D128 PolarHBondContact O-N 2.98Å
129T95.8Very high95.8Very high27 Ų2746.6 Ų46.617%0.16626%0.255CS..  trans-12886.7-177.4-52.10000109.6N40 V126 S131 I132 L133N40-T129 PolarHBondContact ND2-OG1 2.99Å; N40-T129 VanDerWaalsContact ND2-OG1 3.07Å; V126-T129 PolarHBondContact O-N 2.82Å; T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 2.59Å; T129-S131 VanDerWaalsContact O-N 3.16Å; T129-I132 HydrophobicContact CG2-CB 4.31Å; T129-I132 HydrophobicContact CG2-CD1 3.56Å; T129-I132 HydrophobicContact CG2-CG1 3.75Å; T129-I132 PolarHBondContact O-N 3.48Å; T129-I132 VanDerWaalsContact O-N 3.16Å; T129-L133 PolarHBondContact O-N 3.12Å
130P95.5Very high95.7Very high103 Ų10346.6 Ų46.667%0.66926%0.255SS*.Hα-helixtrans-57.2-34.6-168.5-28.535.6000115.2L133 S134P130-L133 PolarHBondContact O-N 3.06Å; P130-S134 PolarHBondContact O-N 3.19Å
131S94.9Very high95.7Very high83 Ų8348.5 Ų48.558%0.5826%0.262SS*.Hα-helixtrans-64.2-45.617951.40000112.4T129 Q135T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 2.59Å; T129-S131 VanDerWaalsContact O-N 3.16Å; S131-Q135 PolarHBondContact O-N 3.47Å
132I95.3Very high95.6Very high9 Ų950.8 Ų50.85%0.04627%0.27CS..Hα-helixtrans-72-40.6178.1-53.1172000109.7N40 I43 T44 V126 T129 S134 Q135 V136N40-I132 HydrophobicContact CB-CD1 3.75Å; I43-I132 HydrophobicContact CB-CG2 4.35Å; I43-I132 HydrophobicContact CG2-CG2 3.65Å; T44-I132 WeakPolarHBondContact OG1-CD1 3.43Å; T44-I132 WeakPolarHBondContact OG1-CG1 3.47Å; V126-I132 HydrophobicContact CB-CB 4.26Å; V126-I132 HydrophobicContact CB-CG2 4.09Å; V126-I132 HydrophobicContact CG1-CB 4.42Å; V126-I132 HydrophobicContact CG1-CG2 3.84Å; V126-I132 HydrophobicContact CG2-CG2 4.19Å; T129-I132 HydrophobicContact CG2-CB 4.31Å; T129-I132 HydrophobicContact CG2-CD1 3.56Å; T129-I132 HydrophobicContact CG2-CG1 3.75Å; T129-I132 PolarHBondContact O-N 3.48Å; T129-I132 VanDerWaalsContact O-N 3.16Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 2.93Å; I132-Q135 WeakPolarHBondContact O-CB 3.47Å; I132-Q135 PolarHBondContact O-N 2.96Å; I132-V136 HydrophobicContact CG2-CG2 4.4Å; I132-V136 WeakPolarHBondContact O-CG2 3.45Å; I132-V136 PolarHBondContact O-N 3.06Å
133L96.8Very high95.5Very high41 Ų4150.7 Ų50.722%0.21527%0.27CS..Hα-helixtrans-56.5-42.5176.5-177.463.1000111.7K123 V126 T129 P130 Q135 V136 D137K123-L133 HydrophobicContact CB-CD1 4.11Å; K123-L133 HydrophobicContact CG-CD1 4.11Å; V126-L133 HydrophobicContact CG2-CB 4.31Å; V126-L133 HydrophobicContact CG2-CD1 4.23Å; T129-L133 PolarHBondContact O-N 3.12Å; P130-L133 PolarHBondContact O-N 3.06Å; L133-Q135 VanDerWaalsContact C-N 3.33Å; L133-Q135 PolarHBondContact O-N 2.94Å; L133-V136 PolarHBondContact O-N 2.66Å; L133-D137 WeakPolarHBondContact O-CB 3.23Å; L133-D137 PolarHBondContact O-N 3.17Å
134S96.1Very high95.5Very high58 Ų5850.8 Ų50.841%0.40627%0.271SS..Hα-helixtrans-59-42175.1-167.90000112.4P130 I132 D137 E138P130-S134 PolarHBondContact O-N 3.19Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 2.93Å; S134-D137 PolarHBondContact O-N 3.5Å; S134-E138 WeakPolarHBondContact O-CG 3.41Å; S134-E138 PolarHBondContact O-N 3.28Å
135Q94.8Very high95.5Very high61 Ų6151.5 Ų51.529%0.28527%0.271SS..Hα-helixtrans-65.5-40.9177.9-66.2173.5-18.100112F47 S131 I132 L133 T139F47-Q135 HydrophobicContact CB-CB 4.36Å; S131-Q135 PolarHBondContact O-N 3.47Å; I132-Q135 WeakPolarHBondContact O-CB 3.47Å; I132-Q135 PolarHBondContact O-N 2.96Å; L133-Q135 VanDerWaalsContact C-N 3.33Å; L133-Q135 PolarHBondContact O-N 2.94Å; Q135-T139 PolarHBondContact O-N 2.96Å; Q135-T139 VanDerWaalsContact O-N 3.14Å; Q135-T139 PolarHBondContact O-OG1 3.23Å
136V96.9Very high95.4Very high0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-65.4-42.2175.8177.90000110.4I43 F47 M119 I122 K123 V126 I132 L133 T139 Y140I43-V136 HydrophobicContact CG2-CG2 3.91Å; F47-V136 HydrophobicContact CD1-CG2 4.19Å; F47-V136 HydrophobicContact CD2-CG2 4.03Å; F47-V136 HydrophobicContact CE1-CG1 4.43Å; F47-V136 HydrophobicContact CE1-CG2 4.43Å; F47-V136 HydrophobicContact CE2-CG2 4.28Å; F47-V136 HydrophobicContact CG-CG2 3.99Å; F47-V136 HydrophobicContact CZ-CG2 4.47Å; M119-V136 HydrophobicContact CE-CG1 3.66Å; M119-V136 WeakPolarHBondContact CE-O 3.39Å; I122-V136 HydrophobicContact CG2-CG1 3.95Å; I122-V136 HydrophobicContact CG2-CG2 3.96Å; K123-V136 HydrophobicContact CD-CG1 4.48Å; K123-V136 HydrophobicContact CG-CB 4.47Å; K123-V136 HydrophobicContact CG-CG1 3.53Å; V126-V136 HydrophobicContact CG2-CG2 4.17Å; I132-V136 HydrophobicContact CG2-CG2 4.4Å; I132-V136 WeakPolarHBondContact O-CG2 3.45Å; I132-V136 PolarHBondContact O-N 3.06Å; L133-V136 PolarHBondContact O-N 2.66Å; V136-T139 PolarHBondContact O-N 3.21Å; V136-Y140 WeakPolarHBondContact O-CB 3.45Å; V136-Y140 PolarHBondContact O-N 3.3Å
137D96Very high95.4Very high43 Ų4351.5 Ų51.523%0.2327%0.272CS..Hα-helixtrans-64.8-41.5177.3-80.9-20.6000112.6K123 L133 S134 T139 Y140 Q141K123-D137 WeakPolarHBondContact CD-OD1 3.48Å; K123-D137 WeakPolarHBondContact CE-OD1 3.48Å; K123-D137 IonicContact NZ-OD1 4Å; K123-D137 PolarHBondContact NZ-OD1 2.87Å; L133-D137 WeakPolarHBondContact O-CB 3.23Å; L133-D137 PolarHBondContact O-N 3.17Å; S134-D137 PolarHBondContact O-N 3.5Å; D137-T139 VanDerWaalsContact C-N 3.3Å; D137-T139 PolarHBondContact O-N 3.06Å; D137-Y140 VanDerWaalsContact O-CB 3.3Å; D137-Y140 WeakPolarHBondContact O-CB 3.4Å; D137-Y140 PolarHBondContact O-N 2.79Å; D137-Q141 PolarHBondContact O-N 2.82Å
138E95.4Very high95.3Very high90 Ų9048.2 Ų48.242%0.42126%0.263SS..Hα-helixtrans-58.4-43.6173.2-76.7172.8-150.700111.4S134 Q141 Q142S134-E138 WeakPolarHBondContact O-CG 3.41Å; S134-E138 PolarHBondContact O-N 3.28Å; E138-Q141 PolarHBondContact O-N 2.88Å; E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 3.25Å
139T95.4Very high95.3Very high2 Ų248.1 Ų48.11%0.01227%0.268CS..Hα-helixtrans-68.3-37.9178.1-51.30000111.8I11 F47 L52 F56 M119 Q135 V136 D137 Q141 Q142 L143I11-T139 HydrophobicContact CD1-CG2 4.23Å; F47-T139 HydrophobicContact CD1-CG2 3.88Å; F47-T139 WeakPolarHBondContact CD1-OG1 3.3Å; F47-T139 HydrophobicContact CE1-CG2 3.75Å; L52-T139 HydrophobicContact CD1-CG2 4.02Å; L52-T139 WeakPolarHBondContact CD1-OG1 3.36Å; L52-T139 HydrophobicContact CD2-CG2 4.03Å; F56-T139 HydrophobicContact CE2-CG2 4.08Å; F56-T139 HydrophobicContact CZ-CG2 3.97Å; M119-T139 HydrophobicContact CE-CG2 4.48Å; Q135-T139 PolarHBondContact O-N 2.96Å; Q135-T139 VanDerWaalsContact O-N 3.14Å; Q135-T139 PolarHBondContact O-OG1 3.23Å; V136-T139 PolarHBondContact O-N 3.21Å; D137-T139 VanDerWaalsContact C-N 3.3Å; D137-T139 PolarHBondContact O-N 3.06Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.45Å; T139-Q142 PolarHBondContact O-N 3.47Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.06Å
140Y95.5Very high95.3Very high0 Ų047.5 Ų47.50%026%0.264CS..Hα-helixtrans-56.8-49.2173.5-157.8-56.6000110L116 M119 D120 K123 V136 D137 Q142 L143 I144 M238 R242L116-Y140 WeakPolarHBondContact CB-OH 3.37Å; L116-Y140 HydrophobicContact CD2-CD1 4.45Å; L116-Y140 HydrophobicContact CD2-CE1 3.62Å; M119-Y140 HydrophobicContact CB-CD2 3.58Å; M119-Y140 HydrophobicContact CB-CE2 3.51Å; M119-Y140 HydrophobicContact CE-CD2 4.05Å; M119-Y140 HydrophobicContact CE-CG 4.34Å; M119-Y140 HydrophobicContact CG-CD2 4.32Å; D120-Y140 PolarHBondContact OD1-OH 3.36Å; K123-Y140 HydrophobicContact CD-CD2 3.89Å; K123-Y140 HydrophobicContact CD-CE2 4.3Å; V136-Y140 WeakPolarHBondContact O-CB 3.45Å; V136-Y140 PolarHBondContact O-N 3.3Å; D137-Y140 VanDerWaalsContact O-CB 3.3Å; D137-Y140 WeakPolarHBondContact O-CB 3.4Å; D137-Y140 PolarHBondContact O-N 2.79Å; Y140-Q142 PolarHBondContact O-N 2.97Å; Y140-L143 WeakPolarHBondContact O-CB 3.42Å; Y140-L143 PolarHBondContact O-N 3.34Å; Y140-I144 HydrophobicContact CD1-CD1 3.73Å; Y140-I144 HydrophobicContact CD1-CG1 4Å; Y140-I144 HydrophobicContact CE1-CD1 3.69Å; Y140-I144 HydrophobicContact CE1-CG1 3.96Å; Y140-I144 PolarHBondContact O-N 2.75Å; Y140-I144 VanDerWaalsContact O-N 3.09Å; Y140-M238 HydrophobicContact CD1-CB 4.25Å; Y140-M238 HydrophobicContact CD1-CG 3.83Å; Y140-M238 HydrophobicContact CD1-SD 4.45Å; Y140-M238 HydrophobicContact CE1-CB 4.17Å; Y140-M238 HydrophobicContact CE1-CG 4.03Å; Y140-M238 HydrophobicContact CG-CG 4.14Å; Y140-R242 PolarHBondContact OH-NH2 3.15Å
141Q95.3Very high95.3Very high80 Ų8045.4 Ų45.437%0.37425%0.252SS..Hα-helixtrans-62-43.7179.4-174.56026.800111.5D137 E138 T139 L143 I144 E145D137-Q141 PolarHBondContact O-N 2.82Å; E138-Q141 PolarHBondContact O-N 2.88Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.45Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.09Å; Q141-I144 PolarHBondContact O-N 3.43Å; Q141-I144 VanDerWaalsContact O-N 3.17Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.23Å; Q141-E145 PolarHBondContact NE2-OE1 2.92Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 3.07Å
142Q95.2Very high95.1Very high63 Ų6346.8 Ų46.829%0.29425%0.253SS..Hα-helixtrans-59.9-37.9175.3-70.9178.730.700112.8F56 E138 T139 Y140 M146F56-Q142 HydrophobicContact CD1-CB 4.21Å; F56-Q142 HydrophobicContact CE1-CB 3.82Å; F56-Q142 HydrophobicContact CZ-CB 4.35Å; E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 3.25Å; T139-Q142 PolarHBondContact O-N 3.47Å; Y140-Q142 PolarHBondContact O-N 2.97Å; Q142-M146 VanDerWaalsContact O-CB 3.22Å; Q142-M146 WeakPolarHBondContact O-CB 3.31Å; Q142-M146 PolarHBondContact O-N 3.36Å
143L95.6Very high95.1Very high0 Ų048.5 Ų48.50%027%0.272CS..Hα-helixtrans-62.4-48.1173.5-74.3177.3000111.6I11 F56 M119 T139 Y140 Q141 E145 M146 Y147I11-L143 HydrophobicContact CD1-CD1 3.79Å; I11-L143 HydrophobicContact CD1-CD2 3.86Å; I11-L143 HydrophobicContact CD1-CG 4.11Å; F56-L143 HydrophobicContact CE1-CD2 3.83Å; F56-L143 HydrophobicContact CE1-CG 4.27Å; F56-L143 HydrophobicContact CZ-CD2 3.68Å; F56-L143 HydrophobicContact CZ-CG 4.01Å; M119-L143 HydrophobicContact CG-CD1 3.77Å; M119-L143 HydrophobicContact SD-CD1 4.16Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.06Å; Y140-L143 WeakPolarHBondContact O-CB 3.42Å; Y140-L143 PolarHBondContact O-N 3.34Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.09Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.35Å; L143-M146 PolarHBondContact O-N 2.76Å; L143-Y147 HydrophobicContact CB-CD2 4.42Å; L143-Y147 HydrophobicContact CD2-CD2 3.87Å; L143-Y147 HydrophobicContact CD2-CE2 3.48Å; L143-Y147 VanDerWaalsContact CD2-CE2 3.48Å; L143-Y147 WeakPolarHBondContact O-CB 3.29Å; L143-Y147 WeakPolarHBondContact O-CD2 3.33Å; L143-Y147 PolarHBondContact O-N 3.27Å
144I94.4Very high95.1Very high27 Ų2750 Ų5014%0.13828%0.278CS..Hα-helixtrans-59.1-49.5179.1-64.5175.4000109.6Y140 Q141 M146 T148 M238Y140-I144 HydrophobicContact CD1-CD1 3.73Å; Y140-I144 HydrophobicContact CD1-CG1 4Å; Y140-I144 HydrophobicContact CE1-CD1 3.69Å; Y140-I144 HydrophobicContact CE1-CG1 3.96Å; Y140-I144 PolarHBondContact O-N 2.75Å; Y140-I144 VanDerWaalsContact O-N 3.09Å; Q141-I144 PolarHBondContact O-N 3.43Å; Q141-I144 VanDerWaalsContact O-N 3.17Å; I144-M146 PolarHBondContact O-N 2.89Å; I144-T148 WeakPolarHBondContact CG2-OG1 3.29Å; I144-T148 WeakPolarHBondContact O-CB 3.36Å; I144-T148 PolarHBondContact O-N 3.43Å; I144-T148 PolarHBondContact O-OG1 3.49Å; I144-M238 HydrophobicContact CD1-CB 4.01Å
145E95Very high95.1Very high120 Ų12047.2 Ų47.256%0.56126%0.259SS*.Hα-helixtrans-61.8-41.2-178.2-72.1174.7-173.600112.4Q141 L143 P149Q141-E145 WeakPolarHBondContact CG-OE1 3.23Å; Q141-E145 PolarHBondContact NE2-OE1 2.92Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 3.07Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.35Å; E145-P149 VanDerWaalsContact O-CD 3.25Å; E145-P149 WeakPolarHBondContact O-CD 3.1Å
146M94.8Very high95.2Very high41 Ų4148.8 Ų48.820%0.20227%0.266CS..Hα-helixtrans-71.3-43.8-179.4179.5177.2-76.900113.1F56 Q142 L143 I144F56-M146 HydrophobicContact CB-CE 3.91Å; F56-M146 HydrophobicContact CD1-CE 3.43Å; F56-M146 VanDerWaalsContact CD1-CE 3.43Å; F56-M146 HydrophobicContact CD1-SD 3.94Å; F56-M146 HydrophobicContact CE1-CE 4.38Å; F56-M146 HydrophobicContact CE1-SD 4.39Å; F56-M146 HydrophobicContact CG-CE 4.09Å; F56-M146 WeakPolarHBondContact O-CE 3.48Å; Q142-M146 VanDerWaalsContact O-CB 3.22Å; Q142-M146 WeakPolarHBondContact O-CB 3.31Å; Q142-M146 PolarHBondContact O-N 3.36Å; L143-M146 PolarHBondContact O-N 2.76Å; I144-M146 PolarHBondContact O-N 2.89Å
147Y96.3Very high95.2Very high0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-102.2-23-166-65.6-76000114.4R4 P7 L8 L112 L143 P149 L150 F155 M158R4-Y147 HydrophobicContact CB-CE1 4.34Å; R4-Y147 WeakPolarHBondContact O-CE1 3.4Å; R4-Y147 PolarHBondContact O-OH 3.38Å; P7-Y147 WeakPolarHBondContact CB-OH 3.27Å; P7-Y147 WeakPolarHBondContact CG-OH 3.25Å; L8-Y147 HydrophobicContact CD1-CD1 4.23Å; L8-Y147 HydrophobicContact CD1-CE1 3.77Å; L8-Y147 HydrophobicContact CD2-CD1 4.48Å; L8-Y147 HydrophobicContact CD2-CD2 4.15Å; L8-Y147 HydrophobicContact CD2-CE1 4.14Å; L8-Y147 HydrophobicContact CD2-CE2 3.83Å; L8-Y147 HydrophobicContact CG-CE1 3.83Å; L8-Y147 HydrophobicContact CG-CE2 4.2Å; L112-Y147 HydrophobicContact CD1-CD2 4.35Å; L112-Y147 HydrophobicContact CD1-CG 4.35Å; L143-Y147 HydrophobicContact CB-CD2 4.42Å; L143-Y147 HydrophobicContact CD2-CD2 3.87Å; L143-Y147 HydrophobicContact CD2-CE2 3.48Å; L143-Y147 VanDerWaalsContact CD2-CE2 3.48Å; L143-Y147 WeakPolarHBondContact O-CB 3.29Å; L143-Y147 WeakPolarHBondContact O-CD2 3.33Å; L143-Y147 PolarHBondContact O-N 3.27Å; Y147-P149 VanDerWaalsContact C-CD 3.5Å; Y147-L150 HydrophobicContact CD1-CD1 3.67Å; Y147-L150 HydrophobicContact CE1-CD1 4.41Å; Y147-L150 HydrophobicContact CG-CD1 4.46Å; Y147-L150 PolarHBondContact O-N 3.35Å; Y147-F155 WeakPolarHBondContact O-CE2 3.22Å; Y147-F155 WeakPolarHBondContact O-CZ 3.48Å; Y147-M158 HydrophobicContact CD1-CE 4Å; Y147-M158 HydrophobicContact CD1-SD 3.98Å; Y147-M158 HydrophobicContact CE1-CE 4.26Å; Y147-M158 HydrophobicContact CE1-SD 3.61Å
148T92.6Very high95.2Very high62 Ų6250.7 Ų50.738%0.3828%0.276SS..THydrogen-bonded Turntrans-59-44177.4-60.90000114.4I144 L150I144-T148 WeakPolarHBondContact CG2-OG1 3.29Å; I144-T148 WeakPolarHBondContact O-CB 3.36Å; I144-T148 PolarHBondContact O-N 3.43Å; I144-T148 PolarHBondContact O-OG1 3.49Å; T148-L150 PolarHBondContact O-N 3.41Å
149P94.7Very high95.3Very high100 Ų10048.2 Ų48.265%0.64926%0.262SS*.THydrogen-bonded Turntrans-74.8-8-176.929.8-35000113.5E145 Y147E145-P149 VanDerWaalsContact O-CD 3.25Å; E145-P149 WeakPolarHBondContact O-CD 3.1Å; Y147-P149 VanDerWaalsContact C-CD 3.5Å
150L94.9Very high95.4Very high14 Ų1452.7 Ų52.77%0.07328%0.283CS..  trans-73.3144.6-174.6-52.1-177000112.5Y147 T148 E154 F155 M158Y147-L150 HydrophobicContact CD1-CD1 3.67Å; Y147-L150 HydrophobicContact CE1-CD1 4.41Å; Y147-L150 HydrophobicContact CG-CD1 4.46Å; Y147-L150 PolarHBondContact O-N 3.35Å; T148-L150 PolarHBondContact O-N 3.41Å; L150-E154 WeakPolarHBondContact CA-OE2 3.14Å; L150-E154 HydrophobicContact CB-CB 4.18Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.41Å; L150-F155 HydrophobicContact CB-CD2 4.09Å; L150-F155 HydrophobicContact CB-CE2 3.8Å; L150-M158 HydrophobicContact CD1-CE 3.68Å; L150-M158 HydrophobicContact CD1-SD 4.37Å
151S95.1Very high95.5Very high60 Ų6052.8 Ų52.842%0.4228%0.284SS..  trans-74.7162175.6670000112.3G153 E154 F155S151-G153 PolarHBondContact O-N 2.86Å; S151-E154 PolarHBondContact N-OE2 2.96Å; S151-E154 PolarHBondContact O-N 3.45Å; S151-E154 WeakPolarHBondContact OG-CG 3.35Å; S151-E154 PolarHBondContact OG-N 3.06Å; S151-E154 PolarHBondContact OG-OE2 3.35Å; S151-F155 WeakPolarHBondContact O-CD2 3.42Å; S151-F155 PolarHBondContact O-N 2.82Å; S151-F155 VanDerWaalsContact O-N 3.13Å
152N92Very high95.5Very high112 Ų11249 Ų4960%0.59927%0.266SS*.Hα-helixtrans-59.1-30.2173-72.6-33.2000112.7F155 Q156N152-F155 PolarHBondContact O-N 3.38Å; N152-Q156 WeakPolarHBondContact O-CB 3.22Å; N152-Q156 PolarHBondContact O-N 2.83Å
153G95Very high95.6Very high44 Ų4449 Ų4945%0.45427%0.268SS..Hα-helixtrans-66.5-43177.100000112.2S151 Q156 L157S151-G153 PolarHBondContact O-N 2.86Å; G153-Q156 WeakPolarHBondContact O-CB 3.25Å; G153-Q156 PolarHBondContact O-N 3.34Å; G153-L157 PolarHBondContact O-N 3.32Å
154E96.2Very high95.6Very high72 Ų7252 Ų5234%0.33628%0.284SS..Hα-helixtrans-65.1-41.9175.3-70.6167.1105.600111.6L150 S151 Q156 L157 M158L150-E154 WeakPolarHBondContact CA-OE2 3.14Å; L150-E154 HydrophobicContact CB-CB 4.18Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.41Å; S151-E154 PolarHBondContact N-OE2 2.96Å; S151-E154 PolarHBondContact O-N 3.45Å; S151-E154 WeakPolarHBondContact OG-CG 3.35Å; S151-E154 PolarHBondContact OG-N 3.06Å; S151-E154 PolarHBondContact OG-OE2 3.35Å; E154-Q156 VanDerWaalsContact C-N 3.28Å; E154-Q156 PolarHBondContact O-N 3.05Å; E154-L157 PolarHBondContact O-N 3.41Å; E154-M158 WeakPolarHBondContact O-CG 3.06Å; E154-M158 PolarHBondContact O-N 2.84Å
155F96.3Very high95.6Very high1 Ų151.5 Ų51.50%0.00428%0.28CS..Hα-helixtrans-61.7-36.2172-85.3-77.7000112.9P108 K109 L112 Y147 L150 S151 N152 M158 R159P108-F155 HydrophobicContact CB-CB 3.74Å; K109-F155 HydrophobicContact CB-CD1 4.49Å; K109-F155 HydrophobicContact CB-CD2 4.23Å; K109-F155 HydrophobicContact CB-CE2 4.49Å; K109-F155 HydrophobicContact CB-CG 4.23Å; K109-F155 HydrophobicContact CD-CE2 4.28Å; K109-F155 HydrophobicContact CG-CD2 4.13Å; K109-F155 HydrophobicContact CG-CE1 4.45Å; K109-F155 HydrophobicContact CG-CE2 3.91Å; K109-F155 HydrophobicContact CG-CG 4.48Å; K109-F155 HydrophobicContact CG-CZ 4.08Å; L112-F155 HydrophobicContact CB-CE1 3.95Å; L112-F155 HydrophobicContact CB-CZ 4.21Å; L112-F155 HydrophobicContact CD2-CZ 4.09Å; Y147-F155 WeakPolarHBondContact O-CE2 3.22Å; Y147-F155 WeakPolarHBondContact O-CZ 3.48Å; L150-F155 HydrophobicContact CB-CD2 4.09Å; L150-F155 HydrophobicContact CB-CE2 3.8Å; S151-F155 WeakPolarHBondContact O-CD2 3.42Å; S151-F155 PolarHBondContact O-N 2.82Å; S151-F155 VanDerWaalsContact O-N 3.13Å; N152-F155 PolarHBondContact O-N 3.38Å; F155-M158 HydrophobicContact CB-CE 4.2Å; F155-M158 HydrophobicContact CD1-CE 3.35Å; F155-M158 HydrophobicContact CD2-CE 4.22Å; F155-M158 HydrophobicContact CE1-CE 3.64Å; F155-M158 HydrophobicContact CE2-CE 4.47Å; F155-M158 HydrophobicContact CG-CE 3.67Å; F155-M158 HydrophobicContact CZ-CE 4.21Å; F155-M158 PolarHBondContact O-N 3.48Å; F155-R159 WeakPolarHBondContact O-CB 3.17Å; F155-R159 PolarHBondContact O-N 3.13Å
156Q96.4Very high95.7Very high93 Ų9345.9 Ų45.944%0.43525%0.254SS..Hα-helixtrans-65.8-39.9174.7-178.560.416.400111.6P108 N152 G153 E154 R159 Q160P108-Q156 HydrophobicContact CB-CB 4.42Å; P108-Q156 HydrophobicContact CG-CB 4.2Å; N152-Q156 WeakPolarHBondContact O-CB 3.22Å; N152-Q156 PolarHBondContact O-N 2.83Å; G153-Q156 WeakPolarHBondContact O-CB 3.25Å; G153-Q156 PolarHBondContact O-N 3.34Å; E154-Q156 VanDerWaalsContact C-N 3.28Å; E154-Q156 PolarHBondContact O-N 3.05Å; Q156-R159 PolarHBondContact O-N 2.7Å; Q156-Q160 WeakPolarHBondContact O-CB 3.3Å; Q156-Q160 PolarHBondContact O-N 3.37Å
157L96.7Very high95.5Very high82 Ų8248.8 Ų48.843%0.42927%0.267SS..Hα-helixtrans-64.3-39.8173.9-70.5174.7000112G153 E154 Q160 T161G153-L157 PolarHBondContact O-N 3.32Å; E154-L157 PolarHBondContact O-N 3.41Å; L157-Q160 PolarHBondContact O-N 2.75Å; L157-T161 WeakPolarHBondContact O-CB 3.47Å; L157-T161 PolarHBondContact O-N 3.43Å; L157-T161 PolarHBondContact O-OG1 3.45Å
158M97.3Very high95.3Very high2 Ų253.8 Ų53.81%0.0129%0.294CS..Hα-helixtrans-63.4-46.4173.4-70.9-174.4-67.600111.4S2 R4 L8 Y147 L150 E154 F155 Q160 T161 L162S2-M158 WeakPolarHBondContact OG-CG 3.47Å; R4-M158 HydrophobicContact CB-SD 4.33Å; L8-M158 HydrophobicContact CD1-SD 4.01Å; Y147-M158 HydrophobicContact CD1-CE 4Å; Y147-M158 HydrophobicContact CD1-SD 3.98Å; Y147-M158 HydrophobicContact CE1-CE 4.26Å; Y147-M158 HydrophobicContact CE1-SD 3.61Å; L150-M158 HydrophobicContact CD1-CE 3.68Å; L150-M158 HydrophobicContact CD1-SD 4.37Å; E154-M158 WeakPolarHBondContact O-CG 3.06Å; E154-M158 PolarHBondContact O-N 2.84Å; F155-M158 HydrophobicContact CB-CE 4.2Å; F155-M158 HydrophobicContact CD1-CE 3.35Å; F155-M158 HydrophobicContact CD2-CE 4.22Å; F155-M158 HydrophobicContact CE1-CE 3.64Å; F155-M158 HydrophobicContact CE2-CE 4.47Å; F155-M158 HydrophobicContact CG-CE 3.67Å; F155-M158 HydrophobicContact CZ-CE 4.21Å; F155-M158 PolarHBondContact O-N 3.48Å; M158-Q160 VanDerWaalsContact C-N 3.34Å; M158-Q160 PolarHBondContact O-N 3.39Å; M158-T161 WeakPolarHBondContact O-CB 3.42Å; M158-T161 PolarHBondContact O-N 3.02Å; M158-T161 VanDerWaalsContact O-N 3.14Å; M158-L162 WeakPolarHBondContact O-CG 3.45Å; M158-L162 PolarHBondContact O-N 2.97Å
159R97.3Very high95.3Very high37 Ų3751 Ų5114%0.1428%0.276CS..Hα-helixtrans-57.5-46.8175.1-176.5173.5-168.1176.59.1111.6V102 L103 C105 P108 I111 F155 Q156 T161 L162 L163V102-R159 HydrophobicContact CG1-CG 4.39Å; V102-R159 PolarHBondContact O-NH2 2.96Å; L103-R159 PolarHBondContact O-NH2 3.41Å; C105-R159 PolarHBondContact O-NH1 3.29Å; C105-R159 PolarHBondContact O-NH2 3.48Å; P108-R159 HydrophobicContact CB-CB 4.39Å; I111-R159 HydrophobicContact CD1-CB 3.62Å; I111-R159 HydrophobicContact CD1-CG 3.78Å; F155-R159 WeakPolarHBondContact O-CB 3.17Å; F155-R159 PolarHBondContact O-N 3.13Å; Q156-R159 PolarHBondContact O-N 2.7Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 2.99Å; R159-L162 PolarHBondContact O-N 2.61Å; R159-L163 HydrophobicContact CG-CD1 4.02Å; R159-L163 HydrophobicContact CG-CG 4.38Å; R159-L163 VanDerWaalsContact O-CG 3.28Å; R159-L163 WeakPolarHBondContact O-CG 3.2Å; R159-L163 PolarHBondContact O-N 3.28Å
160Q96.9Very high95.2Very high96 Ų9649 Ų4945%0.44926%0.259SS..Hα-helixtrans-58.9-44.5176.3-176.3-174.718.700111.3Q156 L157 M158 L162 L163 I164Q156-Q160 WeakPolarHBondContact O-CB 3.3Å; Q156-Q160 PolarHBondContact O-N 3.37Å; L157-Q160 PolarHBondContact O-N 2.75Å; M158-Q160 VanDerWaalsContact C-N 3.34Å; M158-Q160 PolarHBondContact O-N 3.39Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.03Å; Q160-L163 PolarHBondContact O-N 2.92Å; Q160-I164 HydrophobicContact CG-CD1 3.94Å; Q160-I164 WeakPolarHBondContact O-CG1 3.32Å; Q160-I164 PolarHBondContact O-N 3.35Å
161T96.9Very high95.1Very high2 Ų248.8 Ų48.81%0.01226%0.257CS..Hα-helixtrans-61.3-42.7179.3-54.50000111.1M1 S2 T5 L61 L157 M158 R159 I164 F165M1-T161 HydrophobicContact CB-CG2 4.44Å; M1-T161 HydrophobicContact CE-CG2 4.14Å; M1-T161 HydrophobicContact SD-CG2 3.99Å; S2-T161 PolarHBondContact N-OG1 3.4Å; T5-T161 HydrophobicContact CG2-CG2 4.05Å; L61-T161 HydrophobicContact CD1-CG2 3.7Å; L61-T161 HydrophobicContact CG-CG2 4Å; L157-T161 WeakPolarHBondContact O-CB 3.47Å; L157-T161 PolarHBondContact O-N 3.43Å; L157-T161 PolarHBondContact O-OG1 3.45Å; M158-T161 WeakPolarHBondContact O-CB 3.42Å; M158-T161 PolarHBondContact O-N 3.02Å; M158-T161 VanDerWaalsContact O-N 3.14Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 2.99Å; T161-I164 PolarHBondContact O-N 3.41Å; T161-F165 PolarHBondContact O-N 2.91Å
162L97.1Very high95Very high0 Ų051.8 Ų51.80%026%0.259CS..Hα-helixtrans-63.9-43.7173.2-68.9171000112.4T5 L9 F98 V102 I111 M158 R159 Q160 I164 F165 F166T5-L162 HydrophobicContact CG2-CD1 4.39Å; T5-L162 HydrophobicContact CG2-CD2 3.58Å; T5-L162 HydrophobicContact CG2-CG 3.57Å; L9-L162 HydrophobicContact CB-CD2 3.97Å; L9-L162 HydrophobicContact CD1-CD2 3.95Å; L9-L162 HydrophobicContact CG-CD2 4.44Å; F98-L162 HydrophobicContact CE1-CD2 4.09Å; F98-L162 HydrophobicContact CZ-CD1 4.23Å; V102-L162 HydrophobicContact CG1-CB 4.28Å; V102-L162 HydrophobicContact CG2-CD1 4.14Å; I111-L162 HydrophobicContact CD1-CD1 4.18Å; I111-L162 HydrophobicContact CG2-CD1 4.06Å; M158-L162 WeakPolarHBondContact O-CG 3.45Å; M158-L162 PolarHBondContact O-N 2.97Å; R159-L162 PolarHBondContact O-N 2.61Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.03Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 3.44Å; L162-F165 WeakPolarHBondContact O-CB 3.46Å; L162-F165 PolarHBondContact O-N 2.86Å; L162-F166 HydrophobicContact CB-CD2 4.49Å; L162-F166 HydrophobicContact CB-CE2 4.39Å; L162-F166 HydrophobicContact CD2-CE2 4.42Å; L162-F166 WeakPolarHBondContact O-CD2 3.32Å; L162-F166 PolarHBondContact O-N 3.37Å
163L95.8Very high95Very high63 Ų6346.8 Ų46.833%0.3323%0.233SC..Hα-helixtrans-63.7-38.1179.2-71172.1000112.1V102 L103 R159 Q160 F166 Q167V102-L163 HydrophobicContact CG1-CD2 3.96Å; V102-L163 HydrophobicContact CG1-CG 4.26Å; L103-L163 HydrophobicContact CD2-CD2 3.71Å; L103-L163 HydrophobicContact CG-CD2 4.37Å; R159-L163 HydrophobicContact CG-CD1 4.02Å; R159-L163 HydrophobicContact CG-CG 4.38Å; R159-L163 VanDerWaalsContact O-CG 3.28Å; R159-L163 WeakPolarHBondContact O-CG 3.2Å; R159-L163 PolarHBondContact O-N 3.28Å; Q160-L163 PolarHBondContact O-N 2.92Å; L163-F166 CarbonylContact O-C 3.5Å; L163-F166 PolarHBondContact O-N 2.92Å; L163-Q167 PolarHBondContact O-N 3.5Å
164I95.8Very high94.7Very high65 Ų6548.2 Ų48.233%0.33324%0.236SC..Hα-helixtrans-65.1-43.1172.8-68.8165.6000110.3M1 Q160 T161 L162 F166 Q167M1-I164 HydrophobicContact CE-CB 4.13Å; M1-I164 HydrophobicContact CE-CD1 4.02Å; M1-I164 HydrophobicContact CE-CG2 3.71Å; M1-I164 HydrophobicContact SD-CD1 3.63Å; Q160-I164 HydrophobicContact CG-CD1 3.94Å; Q160-I164 WeakPolarHBondContact O-CG1 3.32Å; Q160-I164 PolarHBondContact O-N 3.35Å; T161-I164 PolarHBondContact O-N 3.41Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 3.44Å; I164-F166 VanDerWaalsContact C-N 3.31Å; I164-F166 PolarHBondContact O-N 2.72Å; I164-Q167 WeakPolarHBondContact O-CB 3.19Å; I164-Q167 PolarHBondContact O-N 3.45Å; I164-Q167 VanDerWaalsContact O-N 3.12Å
165F95.4Very high94.3Very high15 Ų1546.5 Ų46.57%0.06623%0.228CC..Hα-helixtrans-57.8-44.9175.5179.2-92.5000111.6L9 L61 K64 L67 T161 L162 Q167L9-F165 HydrophobicContact CD1-CD1 4.11Å; L9-F165 HydrophobicContact CD1-CE1 4.08Å; L9-F165 HydrophobicContact CD2-CD1 4.12Å; L9-F165 HydrophobicContact CD2-CD2 4.13Å; L9-F165 HydrophobicContact CD2-CE1 4.06Å; L9-F165 HydrophobicContact CD2-CE2 4.06Å; L9-F165 HydrophobicContact CD2-CG 4.17Å; L9-F165 HydrophobicContact CD2-CZ 4.04Å; L61-F165 HydrophobicContact CD1-CB 3.85Å; L61-F165 HydrophobicContact CD1-CD2 4.03Å; L61-F165 HydrophobicContact CD1-CG 4.15Å; K64-F165 WeakPolarHBondContact CE-O 3.42Å; K64-F165 HydrophobicContact CG-CD2 4.47Å; K64-F165 HydrophobicContact CG-CE2 3.82Å; K64-F165 HydrophobicContact CG-CZ 3.98Å; K64-F165 PolarHBondContact NZ-O 3.17Å; L67-F165 HydrophobicContact CD2-CE1 4.36Å; L67-F165 HydrophobicContact CD2-CE2 4.17Å; L67-F165 HydrophobicContact CD2-CZ 3.62Å; T161-F165 PolarHBondContact O-N 2.91Å; L162-F165 WeakPolarHBondContact O-CB 3.46Å; L162-F165 PolarHBondContact O-N 2.86Å; F165-Q167 PolarHBondContact O-N 3.25Å
166F95.6Very high94.2Very high3 Ų346.5 Ų46.51%0.01323%0.229CC..THydrogen-bonded Turntrans-823.5178.9-66.8-55.6000115.1L9 T95 F98 K99 L162 L163 I164 M169L9-F166 HydrophobicContact CD1-CE2 4.26Å; L9-F166 HydrophobicContact CD1-CZ 3.68Å; T95-F166 HydrophobicContact CG2-CE1 4.49Å; F98-F166 HydrophobicContact CB-CZ 4.5Å; F98-F166 AromaticContact CD1-CE2 3.83Å; F98-F166 HydrophobicContact CD1-CE2 3.83Å; F98-F166 AromaticContact CD1-CZ 3.55Å; F98-F166 HydrophobicContact CD1-CZ 3.55Å; F98-F166 HydrophobicContact CE1-CE2 4.07Å; F98-F166 HydrophobicContact CE1-CZ 4.13Å; F98-F166 HydrophobicContact CG-CZ 4.37Å; K99-F166 HydrophobicContact CB-CB 4.13Å; K99-F166 HydrophobicContact CB-CD1 3.91Å; K99-F166 HydrophobicContact CB-CD2 4.16Å; K99-F166 HydrophobicContact CB-CE1 4.42Å; K99-F166 HydrophobicContact CB-CG 3.79Å; K99-F166 HydrophobicContact CD-CB 3.9Å; K99-F166 HydrophobicContact CD-CG 4.44Å; K99-F166 HydrophobicContact CG-CB 3.83Å; K99-F166 HydrophobicContact CG-CG 4.06Å; K99-F166 PolarHBondContact NZ-O 2.66Å; L162-F166 HydrophobicContact CB-CD2 4.49Å; L162-F166 HydrophobicContact CB-CE2 4.39Å; L162-F166 HydrophobicContact CD2-CE2 4.42Å; L162-F166 WeakPolarHBondContact O-CD2 3.32Å; L162-F166 PolarHBondContact O-N 3.37Å; L163-F166 CarbonylContact O-C 3.5Å; L163-F166 PolarHBondContact O-N 2.92Å; I164-F166 VanDerWaalsContact C-N 3.31Å; I164-F166 PolarHBondContact O-N 2.72Å; F166-M169 HydrophobicContact CD1-SD 3.93Å; F166-M169 PolarHBondContact O-N 3.3Å
167Q92.5Very high93.9Very high102 Ų10244.4 Ų44.448%0.47722%0.22SC..THydrogen-bonded Turntrans-59.8141.5178.6-158.9-171.6-56.100109.9K64 L163 I164 F165 M169K64-Q167 PolarHBondContact NZ-O 3.47Å; K64-Q167 VanDerWaalsContact NZ-O 3.11Å; L163-Q167 PolarHBondContact O-N 3.5Å; I164-Q167 WeakPolarHBondContact O-CB 3.19Å; I164-Q167 PolarHBondContact O-N 3.45Å; I164-Q167 VanDerWaalsContact O-N 3.12Å; F165-Q167 PolarHBondContact O-N 3.25Å; Q167-M169 PolarHBondContact O-N 3.18Å
168D90.8Very high93.6Very high105 Ų10548.6 Ų48.656%0.56124%0.235SC*.THydrogen-bonded Turntrans62.95.2177-53.8-46.4000116.4H170D168-H170 PolarHBondContact O-N 2.68Å; D168-H170 PolarHBondContact O-ND1 3.14Å; D168-H170 VanDerWaalsContact O-ND1 3.11Å
169M92.6Very high93.2Very high3 Ų351.5 Ų51.52%0.01525%0.251CS..  trans-80.599.9172.1-60.3-175.76800110.9T95 M96 K99 F166 Q167T95-M169 HydrophobicContact CG2-CE 3.99Å; T95-M169 WeakPolarHBondContact OG1-CE 3.47Å; M96-M169 HydrophobicContact SD-CB 4.23Å; K99-M169 PolarHBondContact NZ-O 3.11Å; F166-M169 HydrophobicContact CD1-SD 3.93Å; F166-M169 PolarHBondContact O-N 3.3Å; Q167-M169 PolarHBondContact O-N 3.18Å
170H92.5Very high92.9Very high59 Ų5958.3 Ų58.327%0.27328%0.281SS..  trans-119.750.4-176.2-60.1106.5000111.8D168D168-H170 PolarHBondContact O-N 2.68Å; D168-H170 PolarHBondContact O-ND1 3.14Å; D168-H170 VanDerWaalsContact O-ND1 3.11Å
171I93.4Very high92.7Very high9 Ų955.2 Ų55.25%0.04627%0.268CS..  trans-83.5130.4-175.6-48.6176000109.4D92 M96 Q182 L330D92-I171 HydrophobicContact CB-CD1 3.73Å; D92-I171 HydrophobicContact CB-CG2 4.09Å; D92-I171 VanDerWaalsContact OD1-CD1 3.31Å; D92-I171 WeakPolarHBondContact OD1-CD1 3.42Å; M96-I171 WeakPolarHBondContact CE-O 3.33Å; M96-I171 HydrophobicContact CG-CB 3.88Å; M96-I171 HydrophobicContact CG-CG1 4.5Å; M96-I171 HydrophobicContact SD-CB 4.14Å; M96-I171 HydrophobicContact SD-CG1 4.41Å; I171-Q182 PolarHBondContact O-NE2 2.93Å; I171-L330 HydrophobicContact CD1-CD1 4.02Å; I171-L330 HydrophobicContact CG1-CD1 4.02Å
172R93.5Very high92.6Very high123 Ų12355.4 Ų55.446%0.46427%0.269SS..  trans-72.1128.4177.7-73.6173.454.7-177.1-13.1110.3L177 S184R172-L177 HydrophobicContact CB-CD1 4.24Å; R172-S184 VanDerWaalsContact CD-O 3.25Å; R172-S184 WeakPolarHBondContact CD-O 3.05Å
173V92.1Very high92.4Very high6 Ų658.8 Ų58.84%0.03629%0.287CS..  trans-125.1120.1179.6170.30000109L93 M96 I175 F176 L177 Q182L93-V173 HydrophobicContact CD2-CB 4.39Å; L93-V173 HydrophobicContact CD2-CG1 3.54Å; L93-V173 HydrophobicContact CD2-CG2 4.1Å; M96-V173 HydrophobicContact CB-CG2 3.78Å; M96-V173 HydrophobicContact CG-CG2 3.98Å; V173-I175 VanDerWaalsContact C-N 3.31Å; V173-I175 HydrophobicContact CG1-CG2 3.57Å; V173-I175 PolarHBondContact O-N 3.38Å; V173-F176 HydrophobicContact CB-CB 4.41Å; V173-F176 HydrophobicContact CB-CD2 3.56Å; V173-F176 HydrophobicContact CB-CE2 4.2Å; V173-F176 HydrophobicContact CB-CG 4.31Å; V173-F176 HydrophobicContact CG1-CB 4.49Å; V173-F176 HydrophobicContact CG1-CD2 3.54Å; V173-F176 HydrophobicContact CG1-CE2 3.9Å; V173-F176 HydrophobicContact CG1-CG 4.12Å; V173-F176 HydrophobicContact CG2-CD2 4.17Å; V173-F176 HydrophobicContact CG2-CE2 4.45Å; V173-F176 PolarHBondContact O-N 3.41Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 2.89Å; V173-Q182 PolarHBondContact O-OE1 2.89Å
174S87.4Confident92.2Very high75 Ų7560.5 Ų60.552%0.52430%0.304SS..Hα-helixtrans-58.3-38.6-170.761.80000113.5F176 L177 K178S174-F176 PolarHBondContact O-N 3.04Å; S174-L177 PolarHBondContact O-N 3.45Å; S174-K178 WeakPolarHBondContact O-CB 3.22Å; S174-K178 VanDerWaalsContact O-CG 3.27Å; S174-K178 WeakPolarHBondContact O-CG 3.46Å; S174-K178 PolarHBondContact O-N 3.21Å
175I88.7Confident92Very high35 Ų3561.7 Ų61.718%0.17931%0.312CS..Hα-helixtrans-64.7-39.5177.6-168.3162000111.7V173 K178 D179 M250 Y251 R255V173-I175 VanDerWaalsContact C-N 3.31Å; V173-I175 HydrophobicContact CG1-CG2 3.57Å; V173-I175 PolarHBondContact O-N 3.38Å; I175-K178 PolarHBondContact O-N 3.49Å; I175-D179 WeakPolarHBondContact O-CB 3.38Å; I175-D179 PolarHBondContact O-N 3.21Å; I175-M250 HydrophobicContact CD1-CE 4.11Å; I175-M250 HydrophobicContact CG1-CE 4.25Å; I175-M250 HydrophobicContact CG2-CE 3.9Å; I175-Y251 HydrophobicContact CD1-CD1 4.35Å; I175-R255 VanDerWaalsContact CG1-NH2 3.34Å
176F92.9Very high91.7Very high2 Ų261 Ų611%0.00931%0.309CS..Hα-helixtrans-72.6-34.3177-64-41.4000113.2M96 A97 Y100 V173 S174 D179 K180 V181 Q182 F188 M250M96-F176 HydrophobicContact CB-CE2 4.25Å; A97-F176 HydrophobicContact CB-CZ 4.07Å; Y100-F176 AromaticContact CD1-CE1 3.85Å; Y100-F176 HydrophobicContact CD1-CE1 3.85Å; Y100-F176 HydrophobicContact CD1-CZ 4.31Å; Y100-F176 HydrophobicContact CE1-CE1 4.33Å; Y100-F176 HydrophobicContact CG-CE1 4.37Å; V173-F176 HydrophobicContact CB-CB 4.41Å; V173-F176 HydrophobicContact CB-CD2 3.56Å; V173-F176 HydrophobicContact CB-CE2 4.2Å; V173-F176 HydrophobicContact CB-CG 4.31Å; V173-F176 HydrophobicContact CG1-CB 4.49Å; V173-F176 HydrophobicContact CG1-CD2 3.54Å; V173-F176 HydrophobicContact CG1-CE2 3.9Å; V173-F176 HydrophobicContact CG1-CG 4.12Å; V173-F176 HydrophobicContact CG2-CD2 4.17Å; V173-F176 HydrophobicContact CG2-CE2 4.45Å; V173-F176 PolarHBondContact O-N 3.41Å; S174-F176 PolarHBondContact O-N 3.04Å; F176-D179 PolarHBondContact O-N 3.01Å; F176-K180 PolarHBondContact O-N 3.24Å; F176-V181 HydrophobicContact CB-CG2 3.72Å; F176-V181 HydrophobicContact CD1-CG2 3.62Å; F176-V181 HydrophobicContact CG-CG2 4.03Å; F176-V181 WeakPolarHBondContact O-CG2 3.42Å; F176-V181 PolarHBondContact O-N 3.47Å; F176-Q182 HydrophobicContact CB-CB 3.62Å; F176-Q182 PolarHBondContact O-N 3.23Å; F176-F188 HydrophobicContact CB-CE1 4.28Å; F176-F188 HydrophobicContact CD1-CE1 4.48Å; F176-F188 AromaticContact CD2-CE1 3.6Å; F176-F188 HydrophobicContact CD2-CE1 3.6Å; F176-F188 AromaticContact CD2-CZ 3.89Å; F176-F188 HydrophobicContact CD2-CZ 3.89Å; F176-F188 HydrophobicContact CE2-CE1 4.07Å; F176-F188 HydrophobicContact CE2-CZ 4.02Å; F176-F188 AromaticContact CG-CE1 3.9Å; F176-F188 HydrophobicContact CG-CE1 3.9Å; F176-M250 HydrophobicContact CD1-CE 3.89Å; F176-M250 HydrophobicContact CE1-CE 3.13Å; F176-M250 HydrophobicContact CE1-SD 3.66Å; F176-M250 HydrophobicContact CZ-CE 3.64Å; F176-M250 HydrophobicContact CZ-SD 3.68Å
177L91.2Very high91.6Very high48 Ų4868 Ų6825%0.25134%0.335SS..Hα-helixtrans-65.8-44.6173.3-66.9172.7000111.2R172 V173 S174 D179 K180 Q182 N183R172-L177 HydrophobicContact CB-CD1 4.24Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 2.89Å; S174-L177 PolarHBondContact O-N 3.45Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 3.46Å; L177-K180 PolarHBondContact O-N 2.92Å; L177-K180 VanDerWaalsContact O-N 3.09Å; L177-Q182 HydrophobicContact CD2-CB 4.29Å; L177-Q182 HydrophobicContact CD2-CG 4.36Å; L177-N183 WeakPolarHBondContact CD2-O 3.34Å
178K89.2Confident91.8Very high170 Ų17064.4 Ų64.474%0.73932%0.318SS*.Hα-helixtrans-61.4-39.4176.1-74.9174.4-177.9179.40111.7S174 I175 K180S174-K178 WeakPolarHBondContact O-CB 3.22Å; S174-K178 VanDerWaalsContact O-CG 3.27Å; S174-K178 WeakPolarHBondContact O-CG 3.46Å; S174-K178 PolarHBondContact O-N 3.21Å; I175-K178 PolarHBondContact O-N 3.49Å; K178-K180 PolarHBondContact O-N 2.88Å
179D89Confident91.9Very high64 Ų6462.6 Ų62.634%0.34231%0.311SS..THydrogen-bonded Turntrans-76.1-5177.5-65.7-16.4000113.6I175 F176 L177 V181 R255I175-D179 WeakPolarHBondContact O-CB 3.38Å; I175-D179 PolarHBondContact O-N 3.21Å; F176-D179 PolarHBondContact O-N 3.01Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 3.46Å; D179-V181 HydrophobicContact CB-CG1 4.1Å; D179-V181 HydrophobicContact CB-CG2 4.14Å; D179-V181 PolarHBondContact O-N 3.06Å; D179-V181 VanDerWaalsContact O-N 3.17Å; D179-R255 IonicContact OD1-CZ 3.65Å; D179-R255 IonicContact OD1-NH1 2.61Å; D179-R255 PolarHBondContact OD1-NH1 3.33Å; D179-R255 IonicContact OD2-CZ 3.62Å; D179-R255 VanDerWaalsContact OD2-CZ 3.25Å; D179-R255 IonicContact OD2-NH1 3.13Å; D179-R255 PolarHBondContact OD2-NH1 2.98Å; D179-R255 IonicContact OD2-NH2 3.95Å; D179-R255 PolarHBondContact OD2-NH2 2.85Å
180K91.3Very high91.9Very high180 Ų18066.5 Ų66.578%0.78333%0.331SS*.THydrogen-bonded Turntrans57.622.7-175.6-54.1-179.2179.7178.80114F176 L177 K178F176-K180 PolarHBondContact O-N 3.24Å; L177-K180 PolarHBondContact O-N 2.92Å; L177-K180 VanDerWaalsContact O-N 3.09Å; K178-K180 PolarHBondContact O-N 2.88Å
181V92.5Very high91.7Very high30 Ų3067.4 Ų67.418%0.18234%0.342CS..SBendtrans-91-9174.5-55.80000111.9Y100 F176 D179 F188 V189Y100-V181 HydrophobicContact CE1-CG2 4.34Å; Y100-V181 HydrophobicContact CE2-CB 4.1Å; Y100-V181 HydrophobicContact CE2-CG2 4.24Å; Y100-V181 WeakPolarHBondContact OH-CB 3.45Å; Y100-V181 WeakPolarHBondContact OH-CG1 3.27Å; F176-V181 HydrophobicContact CB-CG2 3.72Å; F176-V181 HydrophobicContact CD1-CG2 3.62Å; F176-V181 HydrophobicContact CG-CG2 4.03Å; F176-V181 WeakPolarHBondContact O-CG2 3.42Å; F176-V181 PolarHBondContact O-N 3.47Å; D179-V181 HydrophobicContact CB-CG1 4.1Å; D179-V181 HydrophobicContact CB-CG2 4.14Å; D179-V181 PolarHBondContact O-N 3.06Å; D179-V181 VanDerWaalsContact O-N 3.17Å; V181-F188 CarbonylContact O-C 3.58Å; V181-F188 WeakPolarHBondContact O-CA 3.49Å; V181-F188 WeakPolarHBondContact O-CD1 3.28Å; V181-V189 PolarHBondContact O-N 2.77Å
182Q94.9Very high91.3Very high7 Ų771 Ų713%0.03336%0.364CS..BIsolated β-bridgetrans-128.9142.6174.4-169.1-175.547.900110.4I171 V173 F176 L177 G186 R187 F188I171-Q182 PolarHBondContact O-NE2 2.93Å; V173-Q182 PolarHBondContact O-OE1 2.89Å; F176-Q182 HydrophobicContact CB-CB 3.62Å; F176-Q182 PolarHBondContact O-N 3.23Å; L177-Q182 HydrophobicContact CD2-CB 4.29Å; L177-Q182 HydrophobicContact CD2-CG 4.36Å; Q182-G186 PolarHBondContact NE2-O 3.31Å; Q182-R187 WeakPolarHBondContact CA-O 3.42Å; Q182-R187 WeakPolarHBondContact CG-O 3.33Å; Q182-F188 HydrophobicContact CB-CD1 4.05Å; Q182-F188 HydrophobicContact CB-CE1 4.2Å; Q182-F188 HydrophobicContact CG-CD1 4.26Å; Q182-F188 HydrophobicContact CG-CE1 4.34Å
183N93.1Very high90.9Very high71 Ų7169.5 Ų69.538%0.3837%0.366SS..  trans-82.8163.7173.3-68.5-37.4000111.3L177 N185 G186 R187 V189L177-N183 WeakPolarHBondContact CD2-O 3.34Å; N183-N185 VanDerWaalsContact CB-OD1 3.25Å; N183-N185 WeakPolarHBondContact CB-OD1 3.37Å; N183-N185 PolarHBondContact O-N 3.49Å; N183-N185 VanDerWaalsContact O-N 3.07Å; N183-G186 PolarHBondContact O-N 3.47Å; N183-R187 PolarHBondContact N-O 2.95Å; N183-V189 WeakPolarHBondContact ND2-CG2 3.2Å; N183-V189 VanDerWaalsContact OD1-CG2 3.29Å; N183-V189 WeakPolarHBondContact OD1-CG2 3.12Å
184S91.7Very high90.6Very high98 Ų9870.4 Ų70.469%0.68538%0.377SS*.THydrogen-bonded Turntrans-58.9-21.5175.755.70000114.1R172 G186R172-S184 VanDerWaalsContact CD-O 3.25Å; R172-S184 WeakPolarHBondContact CD-O 3.05Å; S184-G186 VanDerWaalsContact C-N 3.29Å; S184-G186 PolarHBondContact O-N 3.27Å
185N90.9Very high90.6Very high91 Ų9169.6 Ų69.649%0.48737%0.37SS..THydrogen-bonded Turntrans-85.28.6174.667.69.5000114.1N183 R187N183-N185 VanDerWaalsContact CB-OD1 3.25Å; N183-N185 WeakPolarHBondContact CB-OD1 3.37Å; N183-N185 PolarHBondContact O-N 3.49Å; N183-N185 VanDerWaalsContact O-N 3.07Å; N185-R187 VanDerWaalsContact C-N 3.27Å; N185-R187 PolarHBondContact O-N 3.3Å; N185-R187 VanDerWaalsContact OD1-CB 3.32Å; N185-R187 WeakPolarHBondContact OD1-CB 3.29Å; N185-R187 PolarHBondContact OD1-N 3.13Å
186G89.3Confident90.6Very high1 Ų168.5 Ų68.51%0.0136%0.364CS..SBendtrans79.1-1.4178.400000115.3Q182 N183 S184Q182-G186 PolarHBondContact NE2-O 3.31Å; N183-G186 PolarHBondContact O-N 3.47Å; S184-G186 VanDerWaalsContact C-N 3.29Å; S184-G186 PolarHBondContact O-N 3.27Å
187R94Very high90.4Very high149 Ų14970.2 Ų70.256%0.56238%0.375SS*.  trans-81.4141.3175.4-68-178.5172.3-176.70.9111.6Q182 N183 N185Q182-R187 WeakPolarHBondContact CA-O 3.42Å; Q182-R187 WeakPolarHBondContact CG-O 3.33Å; N183-R187 PolarHBondContact N-O 2.95Å; N185-R187 VanDerWaalsContact C-N 3.27Å; N185-R187 PolarHBondContact O-N 3.3Å; N185-R187 VanDerWaalsContact OD1-CB 3.32Å; N185-R187 WeakPolarHBondContact OD1-CB 3.29Å; N185-R187 PolarHBondContact OD1-N 3.13Å
188F96.1Very high90Very high27 Ų2774.4 Ų74.412%0.11839%0.388CS..BIsolated β-bridgetrans-76.7144174.9-69.2-63.3000112M96 K99 Y100 L103 F176 V181 Q182 L190M96-F188 HydrophobicContact CE-CD2 4.47Å; M96-F188 HydrophobicContact CE-CE2 3.53Å; M96-F188 HydrophobicContact CE-CZ 3.61Å; M96-F188 WeakPolarHBondContact O-CZ 3.48Å; K99-F188 HydrophobicContact CB-CE2 4.48Å; K99-F188 HydrophobicContact CD-CE2 4.02Å; K99-F188 HydrophobicContact CG-CE2 4.05Å; Y100-F188 HydrophobicContact CD2-CB 4.27Å; Y100-F188 AromaticContact CD2-CD1 3.37Å; Y100-F188 HydrophobicContact CD2-CD1 3.37Å; Y100-F188 HydrophobicContact CD2-CD2 4.16Å; Y100-F188 AromaticContact CD2-CE1 3.61Å; Y100-F188 HydrophobicContact CD2-CE1 3.61Å; Y100-F188 HydrophobicContact CD2-CE2 4.33Å; Y100-F188 AromaticContact CD2-CG 3.68Å; Y100-F188 HydrophobicContact CD2-CG 3.68Å; Y100-F188 HydrophobicContact CD2-CZ 4.09Å; Y100-F188 AromaticContact CE2-CD1 3.88Å; Y100-F188 HydrophobicContact CE2-CD1 3.88Å; Y100-F188 HydrophobicContact CE2-CE1 4.37Å; Y100-F188 HydrophobicContact CE2-CG 4.32Å; Y100-F188 HydrophobicContact CG-CD1 4.14Å; Y100-F188 AromaticContact CG-CE1 3.9Å; Y100-F188 HydrophobicContact CG-CE1 3.9Å; Y100-F188 HydrophobicContact CG-CZ 4.13Å; L103-F188 HydrophobicContact CD1-CB 4.38Å; L103-F188 HydrophobicContact CD1-CD2 3.68Å; L103-F188 HydrophobicContact CD1-CE2 4.47Å; L103-F188 HydrophobicContact CD1-CG 4.41Å; F176-F188 HydrophobicContact CB-CE1 4.28Å; F176-F188 HydrophobicContact CD1-CE1 4.48Å; F176-F188 AromaticContact CD2-CE1 3.6Å; F176-F188 HydrophobicContact CD2-CE1 3.6Å; F176-F188 AromaticContact CD2-CZ 3.89Å; F176-F188 HydrophobicContact CD2-CZ 3.89Å; F176-F188 HydrophobicContact CE2-CE1 4.07Å; F176-F188 HydrophobicContact CE2-CZ 4.02Å; F176-F188 AromaticContact CG-CE1 3.9Å; F176-F188 HydrophobicContact CG-CE1 3.9Å; V181-F188 CarbonylContact O-C 3.58Å; V181-F188 WeakPolarHBondContact O-CA 3.49Å; V181-F188 WeakPolarHBondContact O-CD1 3.28Å; Q182-F188 HydrophobicContact CB-CD1 4.05Å; Q182-F188 HydrophobicContact CB-CE1 4.2Å; Q182-F188 HydrophobicContact CG-CD1 4.26Å; Q182-F188 HydrophobicContact CG-CE1 4.34Å; F188-L190 HydrophobicContact CB-CD2 4.37Å
189V93.4Very high89.7Confident67 Ų6770.2 Ų70.241%0.40639%0.393SS..  trans-98.9114.8168.2-179.30000106.8V181 N183V181-V189 PolarHBondContact O-N 2.77Å; N183-V189 WeakPolarHBondContact ND2-CG2 3.2Å; N183-V189 VanDerWaalsContact OD1-CG2 3.29Å; N183-V189 WeakPolarHBondContact OD1-CG2 3.12Å
190L91.8Very high89.6Confident84 Ų8470.5 Ų70.544%0.4440%0.397SS..  trans-87.9138.2-179.2-57.6-177.6000110.3L103 L104 F188L103-L190 HydrophobicContact CB-CD2 3.9Å; L104-L190 HydrophobicContact CD2-CD2 4.21Å; F188-L190 HydrophobicContact CB-CD2 4.37Å
191P88.8Confident89.4Confident79 Ų7968 Ų6851%0.51339%0.389SS..  trans-67.4142.1177.228.6-33.8000110.8L104L104-P191 VanDerWaalsContact CD2-CD 3.48Å; L104-P191 HydrophobicContact CD2-CG 3.87Å
192T86Confident89.2Confident83 Ų8370.1 Ų70.151%0.50940%0.398SS..SBendtrans-105.927.3176.351.10000111.5G225 Y227T192-G225 VanDerWaalsContact O-CA 3.26Å; T192-G225 WeakPolarHBondContact O-CA 3.26Å; T192-Y227 PolarHBondContact O-OH 2.96Å
193N85.4Confident88.9Confident93 Ų9372.1 Ų72.150%0.49741%0.412SS..  trans-156.5158.8-167.824.8-48.3000109.6N226N193-N226 WeakPolarHBondContact CA-O 3.48Å; N193-N226 HydrophobicContact CB-CB 4.19Å; N193-N226 VanDerWaalsContact CB-O 3.26Å; N193-N226 WeakPolarHBondContact CB-O 3.41Å
194G85.1Confident88.7Confident25 Ų2569.5 Ų69.526%0.25840%0.401SS..EExtended strand (participates in β ladder)trans118.3-172.7-177.500000113.6V196 N226 Y227 S228G194-V196 PolarHBondContact O-N 3.41Å; G194-N226 PolarHBondContact N-O 2.94Å; G194-Y227 VanDerWaalsContact O-CA 3.31Å; G194-Y227 WeakPolarHBondContact O-CA 3.27Å; G194-S228 PolarHBondContact O-N 3.44Å
195P87.9Confident88.6Confident58 Ų5868.1 Ų68.138%0.37739%0.385SS..EExtended strand (participates in β ladder)trans-68.4134-177.628.1-33.7000110.9S228 L231P195-S228 WeakPolarHBondContact CA-O 3.43Å; P195-S228 VanDerWaalsContact CA-OG 3.3Å; P195-S228 WeakPolarHBondContact CA-OG 3.46Å; P195-L231 HydrophobicContact CB-CD1 4.31Å; P195-L231 HydrophobicContact CB-CG 3.83Å; P195-L231 HydrophobicContact CG-CD1 3.81Å; P195-L231 HydrophobicContact CG-CG 3.9Å
196V88.8Confident88.6Confident12 Ų1267.6 Ų67.67%0.07338%0.381CS..PPolyproline II helixtrans-69.3154.5172.4-60.30000111G194 T200 I202 Y227 S228 A230G194-V196 PolarHBondContact O-N 3.41Å; V196-T200 WeakPolarHBondContact CB-OG1 3.2Å; V196-I202 HydrophobicContact CG1-CG1 4.47Å; V196-I202 HydrophobicContact CG2-CG1 4.45Å; V196-Y227 HydrophobicContact CG1-CD1 4.09Å; V196-Y227 HydrophobicContact CG1-CG 4.37Å; V196-S228 PolarHBondContact N-O 2.9Å; V196-A230 HydrophobicContact CG2-CB 4.29Å; V196-A230 WeakPolarHBondContact O-CA 3.27Å; V196-A230 WeakPolarHBondContact O-CB 3.4Å
197P87Confident88.7Confident37 Ų3772.5 Ų72.524%0.2440%0.399CS..PPolyproline II helixtrans-53.7144.6172.2-22.127.4000112.9P106 R107 G199 T200P106-P197 HydrophobicContact CB-CB 4.29Å; P106-P197 HydrophobicContact CB-CG 3.69Å; R107-P197 HydrophobicContact CG-CB 3.67Å; R107-P197 HydrophobicContact CG-CG 4.46Å; P197-G199 PolarHBondContact O-N 3.27Å; P197-T200 HydrophobicContact CB-CG2 3.94Å; P197-T200 WeakPolarHBondContact CD-OG1 3.38Å; P197-T200 HydrophobicContact CG-CG2 4.29Å; P197-T200 WeakPolarHBondContact O-CB 3.44Å; P197-T200 PolarHBondContact O-N 3.34Å; P197-T200 PolarHBondContact O-OG1 2.97Å
198R83.4Confident88.7Confident136 Ų13669 Ų6951%0.51339%0.391SS..THydrogen-bonded Turntrans-58.2135.9172.7-173.2178.3-176.7-131.912110.8T200 A230 E233R198-T200 VanDerWaalsContact C-N 3.31Å; R198-A230 HydrophobicContact CB-CB 4.22Å; R198-E233 IonicContact CZ-OE2 3.44Å; R198-E233 IonicContact NH1-OE1 3.41Å; R198-E233 PolarHBondContact NH1-OE1 3.44Å; R198-E233 VanDerWaalsContact NH1-OE1 3.13Å; R198-E233 IonicContact NH1-OE2 2.92Å; R198-E233 PolarHBondContact NH1-OE2 2.94Å
199G83.6Confident88.6Confident82 Ų8273 Ų7385%0.84541%0.408SS*.THydrogen-bonded Turntrans86.10.6-176.600000114P197P197-G199 PolarHBondContact O-N 3.27Å
200T87.1Confident88.6Confident71 Ų7171.1 Ų71.144%0.43640%0.398SS..  trans-108.5151.8174.168.80000111V196 P197 R198V196-T200 WeakPolarHBondContact CB-OG1 3.2Å; P197-T200 HydrophobicContact CB-CG2 3.94Å; P197-T200 WeakPolarHBondContact CD-OG1 3.38Å; P197-T200 HydrophobicContact CG-CG2 4.29Å; P197-T200 WeakPolarHBondContact O-CB 3.44Å; P197-T200 PolarHBondContact O-N 3.34Å; P197-T200 PolarHBondContact O-OG1 2.97Å; R198-T200 VanDerWaalsContact C-N 3.31Å
201Q86.6Confident88.6Confident128 Ų12874.2 Ų74.260%0.59843%0.425SS*.PPolyproline II helixtrans-89.1154.7173.8-65179.915.700109.8
202I89.2Confident88.8Confident74 Ų7474.7 Ų74.738%0.37943%0.431SS..PPolyproline II helixtrans-58.9126172.6-63177000108.4V196V196-I202 HydrophobicContact CG1-CG1 4.47Å; V196-I202 HydrophobicContact CG2-CG1 4.45Å
203P88.7Confident89Confident49 Ų4973.3 Ų73.332%0.31843%0.432SS..THydrogen-bonded Turntrans-63.8150.2-176.923.9-32.5000111.3N223 Y227P203-N223 PolarHBondContact O-ND2 2.97Å; P203-Y227 HydrophobicContact CG-CD1 4.26Å; P203-Y227 HydrophobicContact CG-CD2 3.5Å; P203-Y227 VanDerWaalsContact CG-CD2 3.5Å; P203-Y227 HydrophobicContact CG-CE1 4.45Å; P203-Y227 HydrophobicContact CG-CE2 3.72Å; P203-Y227 HydrophobicContact CG-CG 3.78Å
204G88.9Confident89.2Confident15 Ų1575.3 Ų75.316%0.15544%0.439CS..THydrogen-bonded Turntrans111.5-13.117500000114.8I206 Q220 F221G204-I206 PolarHBondContact O-N 2.95Å; G204-Q220 VanDerWaalsContact C-NE2 3.26Å; G204-Q220 CarbonylContact O-C 3.31Å; G204-Q220 WeakPolarHBondContact O-CA 3.43Å; G204-Q220 PolarHBondContact O-NE2 2.94Å; G204-F221 WeakPolarHBondContact CA-O 3.46Å; G204-F221 PolarHBondContact O-N 3.34Å
205M88.6Confident89.5Confident69 Ų6977.3 Ų77.334%0.3444%0.441SS..EExtended strand (participates in β ladder)trans-80.1119.2172.3-173.987-77.600110.7R207 R218 L219 Q220M205-R207 HydrophobicContact CG-CG 4.25Å; M205-R218 HydrophobicContact CE-CB 3.98Å; M205-R218 HydrophobicContact SD-CB 4.47Å; M205-L219 VanDerWaalsContact CE-C 3.41Å; M205-L219 WeakPolarHBondContact CE-O 3.49Å; M205-Q220 HydrophobicContact CE-CB 4.46Å
206I90.7Very high89.7Confident80 Ų8079.7 Ų79.741%0.4145%0.451SS..EExtended strand (participates in β ladder)trans-104.2127.5173.3-58.4169.8000107.8G204 R218 L219 F221G204-I206 PolarHBondContact O-N 2.95Å; I206-R218 WeakPolarHBondContact O-CA 3.33Å; I206-L219 HydrophobicContact CB-CB 4.16Å; I206-L219 PolarHBondContact N-O 3.46Å; I206-L219 PolarHBondContact O-N 3.26Å; I206-F221 HydrophobicContact CD1-CB 4.03Å
207R92.1Very high89.7Confident104 Ų10482.2 Ų82.239%0.39247%0.466SS..EExtended strand (participates in β ladder)trans-117.1126.9176.2-59.6-176-174.7170.32.6109.4M205 F209 E215M205-R207 HydrophobicContact CG-CG 4.25Å; R207-F209 HydrophobicContact CB-CD2 4.36Å; R207-F209 HydrophobicContact CB-CE2 3.58Å; R207-F209 HydrophobicContact CB-CZ 3.92Å; R207-E215 WeakPolarHBondContact CD-OE1 3.5Å; R207-E215 VanDerWaalsContact CG-OE1 3.3Å; R207-E215 WeakPolarHBondContact CG-OE1 3.27Å; R207-E215 IonicContact NE-OE1 3.9Å
208I93.7Very high89.9Confident75 Ų7587.9 Ų87.939%0.38548%0.483SS..EExtended strand (participates in β ladder)trans-104.5124.1176.6-57.3177.6000107.4L216 T217 L219I208-L216 PolarHBondContact O-N 3.33Å; I208-T217 PolarHBondContact N-O 3.09Å; I208-T217 PolarHBondContact O-N 3.47Å; I208-L219 HydrophobicContact CD1-CD1 4.07Å
209F94.5Very high90.3Very high112 Ų11285.5 Ų85.549%0.49148%0.48SS..EExtended strand (participates in β ladder)trans-107.5147.6179.5-63.6-89.6000110.6R207 E214 E215R207-F209 HydrophobicContact CB-CD2 4.36Å; R207-F209 HydrophobicContact CB-CE2 3.58Å; R207-F209 HydrophobicContact CB-CZ 3.92Å; F209-E214 CarbonylContact C-O 3.56Å; F209-E214 VanDerWaalsContact CA-O 3.27Å; F209-E214 WeakPolarHBondContact CA-O 3.46Å; F209-E215 HydrophobicContact CD1-CB 4.06Å; F209-E215 HydrophobicContact CE1-CB 3.87Å; F209-E215 HydrophobicContact CE1-CG 4.24Å
210S93.4Very high90.5Very high27 Ų2787.9 Ų87.919%0.18947%0.469CS..  trans-72.8169.5170.670.60000111.3S212 G213 E214S210-S212 PolarHBondContact O-N 3.21Å; S210-S212 PolarHBondContact OG-N 3.24Å; S210-S212 PolarHBondContact OG-OG 3.5Å; S210-G213 PolarHBondContact O-N 2.96Å; S210-G213 PolarHBondContact OG-N 2.72Å; S210-E214 PolarHBondContact N-O 2.85Å; S210-E214 PolarHBondContact OG-N 2.83Å; S210-E214 VanDerWaalsContact OG-N 3.08Å; S210-E214 PolarHBondContact OG-O 2.7Å
211C91.6Very high90.6Very high149 Ų14990.6 Ų90.6100%1.00748%0.475SS*.THydrogen-bonded Turntrans-61.7-19.8170.9-51.70000113.2G213C211-G213 VanDerWaalsContact C-N 3.35Å
212S92Very high90.6Very high90 Ų9091 Ų9163%0.62948%0.481SS*.THydrogen-bonded Turntrans-86.6-2.5173.9540000113.5S210S210-S212 PolarHBondContact O-N 3.21Å; S210-S212 PolarHBondContact OG-N 3.24Å; S210-S212 PolarHBondContact OG-OG 3.5Å
213G90.3Very high90.2Very high53 Ų5390 Ų9055%0.54648%0.476SS..SBendtrans84.36-17900000114.7S210 C211S210-G213 PolarHBondContact O-N 2.96Å; S210-G213 PolarHBondContact OG-N 2.72Å; C211-G213 VanDerWaalsContact C-N 3.35Å
214E91.3Very high89.9Confident135 Ų13590.8 Ų90.863%0.63149%0.494SS*.  trans-80.1140.1176.1-65.2-176.8156.800110.9F209 S210 L216F209-E214 CarbonylContact C-O 3.56Å; F209-E214 VanDerWaalsContact CA-O 3.27Å; F209-E214 WeakPolarHBondContact CA-O 3.46Å; S210-E214 PolarHBondContact N-O 2.85Å; S210-E214 PolarHBondContact OG-N 2.83Å; S210-E214 VanDerWaalsContact OG-N 3.08Å; S210-E214 PolarHBondContact OG-O 2.7Å; E214-L216 PolarHBondContact O-N 3.23Å
215E90Very high89.7Confident67 Ų6791 Ų9131%0.31350%0.496SS..EExtended strand (participates in β ladder)trans-75.9112.3178.9-172.1174.5-174.500110.5R207 F209 R218R207-E215 WeakPolarHBondContact CD-OE1 3.5Å; R207-E215 VanDerWaalsContact CG-OE1 3.3Å; R207-E215 WeakPolarHBondContact CG-OE1 3.27Å; R207-E215 IonicContact NE-OE1 3.9Å; F209-E215 HydrophobicContact CD1-CB 4.06Å; F209-E215 HydrophobicContact CE1-CB 3.87Å; F209-E215 HydrophobicContact CE1-CG 4.24Å; E215-R218 VanDerWaalsContact CD-NE 3.28Å; E215-R218 WeakPolarHBondContact OE1-CD 3.46Å; E215-R218 WeakPolarHBondContact OE1-CG 3.44Å; E215-R218 IonicContact OE1-CZ 3.59Å; E215-R218 IonicContact OE1-NE 2.69Å; E215-R218 PolarHBondContact OE1-NE 3.21Å; E215-R218 IonicContact OE1-NH2 3.62Å; E215-R218 IonicContact OE2-CZ 3.47Å; E215-R218 IonicContact OE2-NE 3.33Å; E215-R218 PolarHBondContact OE2-NE 2.7Å; E215-R218 IonicContact OE2-NH2 2.75Å; E215-R218 PolarHBondContact OE2-NH2 3.42Å
216L91.9Very high89.6Confident109 Ų10993.7 Ų93.757%0.57151%0.512SS*.EExtended strand (participates in β ladder)trans-87.1-40.5-177.6-66.7175.2000112.5I208 E214I208-L216 PolarHBondContact O-N 3.33Å; E214-L216 PolarHBondContact O-N 3.23Å
217T90Very high89.5Confident64 Ų6493.6 Ų93.639%0.39351%0.507SS..EExtended strand (participates in β ladder)trans-152.2142-170.5-50.60000111.9I208 L219I208-T217 PolarHBondContact N-O 3.09Å; I208-T217 PolarHBondContact O-N 3.47Å; T217-L219 HydrophobicContact CG2-CD2 3.94Å; T217-L219 HydrophobicContact CG2-CG 4.09Å
218R91.2Very high89.4Confident157 Ų15791.4 Ų91.459%0.59251%0.507SS*.EExtended strand (participates in β ladder)trans-113.3124.2171.2-71.6-178.9179.4174.26.3109.8M205 I206 E215M205-R218 HydrophobicContact CE-CB 3.98Å; M205-R218 HydrophobicContact SD-CB 4.47Å; I206-R218 WeakPolarHBondContact O-CA 3.33Å; E215-R218 VanDerWaalsContact CD-NE 3.28Å; E215-R218 WeakPolarHBondContact OE1-CD 3.46Å; E215-R218 WeakPolarHBondContact OE1-CG 3.44Å; E215-R218 IonicContact OE1-CZ 3.59Å; E215-R218 IonicContact OE1-NE 2.69Å; E215-R218 PolarHBondContact OE1-NE 3.21Å; E215-R218 IonicContact OE1-NH2 3.62Å; E215-R218 IonicContact OE2-CZ 3.47Å; E215-R218 IonicContact OE2-NE 3.33Å; E215-R218 PolarHBondContact OE2-NE 2.7Å; E215-R218 IonicContact OE2-NH2 2.75Å; E215-R218 PolarHBondContact OE2-NH2 3.42Å
219L91.3Very high89Confident86 Ų8692 Ų9245%0.4552%0.518SS..EExtended strand (participates in β ladder)trans-123143.6175.8-56.8172.7000109.8M205 I206 I208 T217M205-L219 VanDerWaalsContact CE-C 3.41Å; M205-L219 WeakPolarHBondContact CE-O 3.49Å; I206-L219 HydrophobicContact CB-CB 4.16Å; I206-L219 PolarHBondContact N-O 3.46Å; I206-L219 PolarHBondContact O-N 3.26Å; I208-L219 HydrophobicContact CD1-CD1 4.07Å; T217-L219 HydrophobicContact CG2-CD2 3.94Å; T217-L219 HydrophobicContact CG2-CG 4.09Å
220Q88.8Confident88.6Confident132 Ų13288.4 Ų88.462%0.61751%0.509SS*.EExtended strand (participates in β ladder)trans-106122.2176.6-172.266.441.100110.2G204 M205G204-Q220 VanDerWaalsContact C-NE2 3.26Å; G204-Q220 CarbonylContact O-C 3.31Å; G204-Q220 WeakPolarHBondContact O-CA 3.43Å; G204-Q220 PolarHBondContact O-NE2 2.94Å; M205-Q220 HydrophobicContact CE-CB 4.46Å
221F88.8Confident88Confident128 Ų12891.9 Ų91.956%0.56153%0.525SS*.  trans-91.8130.3168.9177.6-104.5000109.9G204 I206 N223G204-F221 WeakPolarHBondContact CA-O 3.46Å; G204-F221 PolarHBondContact O-N 3.34Å; I206-F221 HydrophobicContact CD1-CB 4.03Å; F221-N223 HydrophobicContact CD1-CB 4.24Å; F221-N223 HydrophobicContact CE1-CB 4.34Å; F221-N223 PolarHBondContact O-N 2.86Å
222N86.1Confident87.7Confident136 Ų13695.2 Ų95.273%0.72752%0.516SS*.  trans-78.8102.8172.9-171.3-1.7000109.2G224N222-G224 PolarHBondContact O-N 3.44Å; N222-G224 PolarHBondContact OD1-N 3.32Å
223N81.3Confident87.4Confident52 Ų5294.4 Ų94.428%0.27850%0.503SS..  trans-79.8-0.5-177.96226.7000113.6P203 F221 G225P203-N223 PolarHBondContact O-ND2 2.97Å; F221-N223 HydrophobicContact CD1-CB 4.24Å; F221-N223 HydrophobicContact CE1-CB 4.34Å; F221-N223 PolarHBondContact O-N 2.86Å; N223-G225 PolarHBondContact O-N 3.32Å; N223-G225 VanDerWaalsContact O-N 3.17Å; N223-G225 PolarHBondContact OD1-N 3.48Å; N223-G225 PolarHBondContact OD1-O 3.36Å
224G82Confident87.3Confident67 Ų6792.2 Ų92.269%0.69148%0.48SS*.SBendtrans703.2-179.400000115.1N222N222-G224 PolarHBondContact O-N 3.44Å; N222-G224 PolarHBondContact OD1-N 3.32Å
225G84.1Confident87.4Confident19 Ų1987 Ų8720%0.19646%0.459CS..SBendtrans-117.5151.5-178.400000112.5T192 N223T192-G225 VanDerWaalsContact O-CA 3.26Å; T192-G225 WeakPolarHBondContact O-CA 3.26Å; N223-G225 PolarHBondContact O-N 3.32Å; N223-G225 VanDerWaalsContact O-N 3.17Å; N223-G225 PolarHBondContact OD1-N 3.48Å; N223-G225 PolarHBondContact OD1-O 3.36Å
226N86.3Confident87.4Confident126 Ų12685.4 Ų85.467%0.67445%0.45SS*.  trans-99.187173.8-167.97.6000109.9N193 G194N193-N226 WeakPolarHBondContact CA-O 3.48Å; N193-N226 HydrophobicContact CB-CB 4.19Å; N193-N226 VanDerWaalsContact CB-O 3.26Å; N193-N226 WeakPolarHBondContact CB-O 3.41Å; G194-N226 PolarHBondContact N-O 2.94Å
227Y89.4Confident87.4Confident78 Ų7887 Ų8731%0.30646%0.455SS..EExtended strand (participates in β ladder)trans-95.7136.4-179.2-65.1-81.4000111.2T192 G194 V196 P203T192-Y227 PolarHBondContact O-OH 2.96Å; G194-Y227 VanDerWaalsContact O-CA 3.31Å; G194-Y227 WeakPolarHBondContact O-CA 3.27Å; V196-Y227 HydrophobicContact CG1-CD1 4.09Å; V196-Y227 HydrophobicContact CG1-CG 4.37Å; P203-Y227 HydrophobicContact CG-CD1 4.26Å; P203-Y227 HydrophobicContact CG-CD2 3.5Å; P203-Y227 VanDerWaalsContact CG-CD2 3.5Å; P203-Y227 HydrophobicContact CG-CE1 4.45Å; P203-Y227 HydrophobicContact CG-CE2 3.72Å; P203-Y227 HydrophobicContact CG-CG 3.78Å
228S89Confident87.1Confident57 Ų5786 Ų8640%0.39945%0.447SS..EExtended strand (participates in β ladder)trans-111.5166175.567.10000111.3G194 P195 V196G194-S228 PolarHBondContact O-N 3.44Å; P195-S228 WeakPolarHBondContact CA-O 3.43Å; P195-S228 VanDerWaalsContact CA-OG 3.3Å; P195-S228 WeakPolarHBondContact CA-OG 3.46Å; V196-S228 PolarHBondContact N-O 2.9Å
229S86.1Confident86.9Confident87 Ų8785.4 Ų85.461%0.60845%0.448SS*.PPolyproline II helixtrans-54.5152.1172.8-61.60000111.9
230A85.2Confident86.7Confident37 Ų3783.6 Ų83.631%0.30645%0.45SS..PPolyproline II helixtrans-58.3140.7178.800000112.1V196 R198V196-A230 HydrophobicContact CG2-CB 4.29Å; V196-A230 WeakPolarHBondContact O-CA 3.27Å; V196-A230 WeakPolarHBondContact O-CB 3.4Å; R198-A230 HydrophobicContact CB-CB 4.22Å
231L80.9Confident86.7Confident101 Ų10183.1 Ų83.153%0.52945%0.452SS..PPolyproline II helixtrans-67164.2168.3-64.7174.1000110.4P195 V243P195-L231 HydrophobicContact CB-CD1 4.31Å; P195-L231 HydrophobicContact CB-CG 3.83Å; P195-L231 HydrophobicContact CG-CD1 3.81Å; P195-L231 HydrophobicContact CG-CG 3.9Å; L231-V243 HydrophobicContact CB-CG1 3.95Å; L231-V243 HydrophobicContact CD1-CG1 4.32Å
232R85.8Confident86.9Confident219 Ų21977.3 Ų77.383%0.82643%0.426SS*.PPolyproline II helixtrans-56.6148.5170.5-170.5178.3179.1-177-0.1109.6G234 V243R232-G234 PolarHBondContact O-N 3.17Å; R232-V243 WeakPolarHBondContact O-CG1 3.48Å
233E86.3Confident87Confident73 Ų7373.1 Ų73.134%0.34141%0.405SS..PPolyproline II helixtrans-63.1133.4174.4-171.1155.4-10600111.2R107 R198 F236R107-E233 IonicContact CZ-OE1 2.79Å; R107-E233 IonicContact NH1-OE1 2.9Å; R107-E233 PolarHBondContact NH1-OE1 2.99Å; R107-E233 VanDerWaalsContact NH1-OE1 3.14Å; R107-E233 IonicContact NH2-OE1 3.34Å; R198-E233 IonicContact CZ-OE2 3.44Å; R198-E233 IonicContact NH1-OE1 3.41Å; R198-E233 PolarHBondContact NH1-OE1 3.44Å; R198-E233 VanDerWaalsContact NH1-OE1 3.13Å; R198-E233 IonicContact NH1-OE2 2.92Å; R198-E233 PolarHBondContact NH1-OE2 2.94Å; E233-F236 HydrophobicContact CG-CE2 4.24Å
234G88.5Confident87.4Confident6 Ų672.4 Ų72.46%0.06240%0.403CS..PPolyproline II helixtrans-67.7147.5172.700000112.1R232 F236 R242R232-G234 PolarHBondContact O-N 3.17Å; G234-F236 WeakPolarHBondContact O-CD2 3.13Å; G234-R242 VanDerWaalsContact CA-O 3.23Å; G234-R242 WeakPolarHBondContact CA-O 3.38Å
235S92.1Very high87.9Confident27 Ų2775 Ų7519%0.18940%0.395CS..PPolyproline II helixtrans-71130.6174.9-175.30000111.2L113 E237 F239 N241 R242L113-S235 WeakPolarHBondContact CD2-O 3.44Å; S235-E237 PolarHBondContact OG-N 2.67Å; S235-F239 PolarHBondContact OG-O 3.17Å; S235-N241 PolarHBondContact N-O 2.95Å; S235-R242 WeakPolarHBondContact O-CD 3.28Å; S235-R242 PolarHBondContact O-NH1 3.46Å
236F91.1Very high88.3Confident33 Ų3375.6 Ų75.615%0.14539%0.393CS..  trans-99.3-0.1170.4-65-85.8000112.6K109 L112 L113 L116 E233 G234K109-F236 HydrophobicContact CD-CE1 4.38Å; K109-F236 HydrophobicContact CD-CZ 4.11Å; K109-F236 HydrophobicContact CG-CE1 3.88Å; K109-F236 HydrophobicContact CG-CZ 3.87Å; L112-F236 HydrophobicContact CB-CD1 4.41Å; L112-F236 HydrophobicContact CB-CE1 4.2Å; L112-F236 HydrophobicContact CD2-CD1 3.7Å; L112-F236 HydrophobicContact CD2-CE1 4.16Å; L112-F236 HydrophobicContact CG-CD1 4.08Å; L112-F236 HydrophobicContact CG-CE1 4.37Å; L113-F236 HydrophobicContact CD1-CE1 4.33Å; L113-F236 HydrophobicContact CD1-CZ 4Å; L113-F236 HydrophobicContact CD2-CD1 3.7Å; L113-F236 HydrophobicContact CD2-CD2 4.34Å; L113-F236 HydrophobicContact CD2-CE1 3.53Å; L113-F236 HydrophobicContact CD2-CE2 4.18Å; L113-F236 HydrophobicContact CD2-CG 4.12Å; L113-F236 HydrophobicContact CD2-CZ 3.78Å; L113-F236 HydrophobicContact CG-CD1 4.22Å; L113-F236 HydrophobicContact CG-CE1 3.56Å; L113-F236 HydrophobicContact CG-CZ 3.75Å; L116-F236 HydrophobicContact CD1-CD1 4.46Å; E233-F236 HydrophobicContact CG-CE2 4.24Å; G234-F236 WeakPolarHBondContact O-CD2 3.13Å
237E90.3Very high88.6Confident143 Ų14369.6 Ų69.667%0.66836%0.361SS*.SBendtrans-75.8169.2176.7-62.8179.6-175.800111S235 F239 R242S235-E237 PolarHBondContact OG-N 2.67Å; E237-F239 PolarHBondContact O-N 3.14Å; E237-R242 PolarHBondContact O-NH1 3.26Å
238M85.6Confident88.9Confident43 Ų4368.7 Ų68.721%0.21236%0.364CS..SBendtrans-59.5-34.9177.9-169.8162.5100.700112.2Y140 I144 R242Y140-M238 HydrophobicContact CD1-CB 4.25Å; Y140-M238 HydrophobicContact CD1-CG 3.83Å; Y140-M238 HydrophobicContact CD1-SD 4.45Å; Y140-M238 HydrophobicContact CE1-CB 4.17Å; Y140-M238 HydrophobicContact CE1-CG 4.03Å; Y140-M238 HydrophobicContact CG-CG 4.14Å; I144-M238 HydrophobicContact CD1-CB 4.01Å; M238-R242 PolarHBondContact O-NH2 2.68Å; M238-R242 VanDerWaalsContact O-NH2 3.07Å
239F86.1Confident89Confident144 Ų14467.6 Ų67.663%0.63235%0.354SS*.SBendtrans-117.9139.4175.9-54.6-74.9000110.5S235 E237S235-F239 PolarHBondContact OG-O 3.17Å; E237-F239 PolarHBondContact O-N 3.14Å
240G87.3Confident89.1Confident47 Ų4765 Ų6549%0.48533%0.333SS..SBendtrans148170.5170.700000113.4R242G240-R242 PolarHBondContact O-N 3.36Å
241N89.3Confident89.1Confident122 Ų12265.1 Ų65.165%0.65233%0.325SS*.  trans-77.7121.2179.5-171.4-17.6000110.3S235 V243S235-N241 PolarHBondContact N-O 2.95Å; N241-V243 HydrophobicContact CB-CG2 4.49Å; N241-V243 PolarHBondContact O-N 3.31Å; N241-V243 WeakPolarHBondContact OD1-CA 3.32Å; N241-V243 PolarHBondContact OD1-N 3.12Å
242R91.3Very high88.9Confident7 Ų762.1 Ų62.13%0.02631%0.313CS..  trans-71.4-18.5177.2-51.2-50.8170.2-158.5-12.9113.3N117 D120 Y140 G234 S235 E237 M238 G240 T244N117-R242 WeakPolarHBondContact OD1-CG 3.17Å; D120-R242 VanDerWaalsContact CG-NH2 3.35Å; D120-R242 IonicContact OD1-CZ 2.69Å; D120-R242 IonicContact OD1-NH2 3.31Å; D120-R242 PolarHBondContact OD1-NH2 2.94Å; D120-R242 IonicContact OD2-CZ 2.64Å; D120-R242 VanDerWaalsContact OD2-CZ 3.29Å; D120-R242 IonicContact OD2-NE 3.04Å; D120-R242 PolarHBondContact OD2-NE 2.84Å; D120-R242 IonicContact OD2-NH2 3.23Å; D120-R242 PolarHBondContact OD2-NH2 3.27Å; Y140-R242 PolarHBondContact OH-NH2 3.15Å; G234-R242 VanDerWaalsContact CA-O 3.23Å; G234-R242 WeakPolarHBondContact CA-O 3.38Å; S235-R242 WeakPolarHBondContact O-CD 3.28Å; S235-R242 PolarHBondContact O-NH1 3.46Å; E237-R242 PolarHBondContact O-NH1 3.26Å; M238-R242 PolarHBondContact O-NH2 2.68Å; M238-R242 VanDerWaalsContact O-NH2 3.07Å; G240-R242 PolarHBondContact O-N 3.36Å; R242-T244 HydrophobicContact CB-CG2 4.17Å; R242-T244 PolarHBondContact O-N 3.28Å
243V89.4Confident87.3Confident48 Ų4858.5 Ų58.529%0.29132%0.315SS..  trans62.3-12-179.6-173.20000114.3L231 R232 N241L231-V243 HydrophobicContact CB-CG1 3.95Å; L231-V243 HydrophobicContact CD1-CG1 4.32Å; R232-V243 WeakPolarHBondContact O-CG1 3.48Å; N241-V243 HydrophobicContact CB-CG2 4.49Å; N241-V243 PolarHBondContact O-N 3.31Å; N241-V243 WeakPolarHBondContact OD1-CA 3.32Å; N241-V243 PolarHBondContact OD1-N 3.12Å
244T89.9Confident85.2Confident36 Ų3660 Ų6022%0.22133%0.333CS..  trans-103.4144.4173.5-174.70000111.3L113 N117 R242 L246L113-T244 HydrophobicContact CB-CG2 3.84Å; L113-T244 HydrophobicContact CD1-CG2 4.46Å; N117-T244 PolarHBondContact ND2-O 3.5Å; R242-T244 HydrophobicContact CB-CG2 4.17Å; R242-T244 PolarHBondContact O-N 3.28Å; T244-L246 WeakPolarHBondContact OG1-CB 3.49Å; T244-L246 WeakPolarHBondContact OG1-CG 3.45Å; T244-L246 PolarHBondContact OG1-N 3.23Å
245K91.1Very high83.2Confident123 Ų12364.2 Ų64.254%0.53535%0.347SS..  trans-87.6-11.6171.3-61.7-178-178.5178.50112.6G247 T248 E258K245-G247 PolarHBondContact O-N 3.26Å; K245-T248 WeakPolarHBondContact O-CB 3.43Å; K245-T248 WeakPolarHBondContact O-CG2 3.47Å; K245-T248 PolarHBondContact O-N 3.12Å; K245-T248 PolarHBondContact O-OG1 3.27Å; K245-E258 IonicContact NZ-OE1 3.93Å; K245-E258 PolarHBondContact NZ-OE1 3.44Å; K245-E258 IonicContact NZ-OE2 3.29Å; K245-E258 PolarHBondContact NZ-OE2 3.26Å
246L93.3Very high80.3Confident30 Ų3068.2 Ų68.216%0.15737%0.372CS..THydrogen-bonded Turntrans-64.4134.9177-58.9179.1000109.5Q101 L104 V114 N117 T244 T248Q101-L246 HydrophobicContact CG-CD2 4.43Å; L104-L246 HydrophobicContact CB-CD1 4.05Å; L104-L246 HydrophobicContact CB-CD2 3.92Å; L104-L246 HydrophobicContact CD1-CD2 3.84Å; V114-L246 HydrophobicContact CG2-CB 3.62Å; V114-L246 HydrophobicContact CG2-CD1 4.38Å; N117-L246 PolarHBondContact ND2-O 3.4Å; T244-L246 WeakPolarHBondContact OG1-CB 3.49Å; T244-L246 WeakPolarHBondContact OG1-CG 3.45Å; T244-L246 PolarHBondContact OG1-N 3.23Å; L246-T248 VanDerWaalsContact C-N 3.32Å
247G93.3Very high77.6Confident0 Ų072.1 Ų72.10%040%0.399CS..THydrogen-bonded Turntrans84.7-0.4-175.500000114.7Y19 K245Y19-G247 WeakPolarHBondContact CE2-O 3.11Å; Y19-G247 PolarHBondContact OH-O 3.22Å; K245-G247 PolarHBondContact O-N 3.26Å
248T94.4Very high74.9Confident59 Ų5970.8 Ų70.836%0.36239%0.392SS..SBendtrans-88.4158.4171.169.20000111.3N117 K245 L246 M250N117-T248 HydrophobicContact CB-CG2 4.43Å; K245-T248 WeakPolarHBondContact O-CB 3.43Å; K245-T248 WeakPolarHBondContact O-CG2 3.47Å; K245-T248 PolarHBondContact O-N 3.12Å; K245-T248 PolarHBondContact O-OG1 3.27Å; L246-T248 VanDerWaalsContact C-N 3.32Å; T248-M250 PolarHBondContact O-N 3.05Å
249N92.1Very high72.4Confident34 Ų3473.9 Ų73.918%0.18241%0.414CS..  trans-63.3103-176.6-169.6-21.2000112.3Y19 Q23 Y251 S252Y19-N249 HydrophobicContact CD1-CB 3.63Å; Y19-N249 HydrophobicContact CD2-CB 4.27Å; Y19-N249 HydrophobicContact CE1-CB 3.66Å; Y19-N249 HydrophobicContact CE2-CB 4.32Å; Y19-N249 HydrophobicContact CG-CB 3.94Å; Q23-N249 PolarHBondContact NE2-ND2 2.92Å; N249-Y251 VanDerWaalsContact C-N 3.31Å; N249-Y251 PolarHBondContact O-N 3.49Å; N249-Y251 WeakPolarHBondContact OD1-CB 3.43Å; N249-Y251 WeakPolarHBondContact OD1-CD2 3.21Å; N249-Y251 PolarHBondContact OD1-N 3.03Å; N249-S252 PolarHBondContact OD1-N 3.41Å
250M87.7Confident69.9Low34 Ų3474.1 Ų74.117%0.16742%0.417CS..THydrogen-bonded Turntrans-81.1-6.118063.3165.7-66.400114.9A97 I175 F176 T248 R255A97-M250 HydrophobicContact CB-SD 4.17Å; I175-M250 HydrophobicContact CD1-CE 4.11Å; I175-M250 HydrophobicContact CG1-CE 4.25Å; I175-M250 HydrophobicContact CG2-CE 3.9Å; F176-M250 HydrophobicContact CD1-CE 3.89Å; F176-M250 HydrophobicContact CE1-CE 3.13Å; F176-M250 HydrophobicContact CE1-SD 3.66Å; F176-M250 HydrophobicContact CZ-CE 3.64Å; F176-M250 HydrophobicContact CZ-SD 3.68Å; T248-M250 PolarHBondContact O-N 3.05Å; M250-R255 PolarHBondContact O-NE 3.5Å; M250-R255 PolarHBondContact O-NH2 3.3Å
251Y85.3Confident67.2Low39 Ų3980 Ų8015%0.15343%0.433CS..THydrogen-bonded Turntrans-97.7-6.2-174.8-50.3-81.6000113.1E16 I20 A97 I175 N249E16-Y251 WeakPolarHBondContact OE2-CE2 3.32Å; E16-Y251 PolarHBondContact OE2-OH 3.4Å; E16-Y251 VanDerWaalsContact OE2-OH 3.06Å; I20-Y251 HydrophobicContact CD1-CE2 4.38Å; I20-Y251 HydrophobicContact CG1-CD1 4.49Å; I20-Y251 HydrophobicContact CG1-CD2 4.18Å; I20-Y251 HydrophobicContact CG1-CE1 3.99Å; I20-Y251 HydrophobicContact CG1-CE2 3.65Å; A97-Y251 VanDerWaalsContact CB-OH 3.3Å; A97-Y251 WeakPolarHBondContact CB-OH 3.45Å; I175-Y251 HydrophobicContact CD1-CD1 4.35Å; N249-Y251 VanDerWaalsContact C-N 3.31Å; N249-Y251 PolarHBondContact O-N 3.49Å; N249-Y251 WeakPolarHBondContact OD1-CB 3.43Å; N249-Y251 WeakPolarHBondContact OD1-CD2 3.21Å; N249-Y251 PolarHBondContact OD1-N 3.03Å
252S76.4Confident64.4Low37 Ų3779.8 Ų79.826%0.25944%0.442SS..  trans-63.6134.8177.6-60.70000111.9Q23 N249 S254Q23-S252 PolarHBondContact NE2-OG 3.2Å; N249-S252 PolarHBondContact OD1-N 3.41Å; S252-S254 PolarHBondContact O-N 3.02Å
253V52.5Low61.3Low144 Ų14482.7 Ų82.787%0.87347%0.474SS*.SBendtrans-62.7-23.9-175.3-174.60000112.9R255V253-R255 PolarHBondContact O-N 3.28Å
254S41.5Very low58.3Low103 Ų10387.5 Ų87.572%0.7250%0.503SS*.  trans-91.178.5178560000111.8S252S252-S254 PolarHBondContact O-N 3.02Å
255R46.5Very low55.3Low96 Ų9691.2 Ų91.236%0.36253%0.531SS..  trans-90.9122.9167.6-72.7175.3169.7-163.7-10.9109.8I175 D179 M250 V253 V257I175-R255 VanDerWaalsContact CG1-NH2 3.34Å; D179-R255 IonicContact OD1-CZ 3.65Å; D179-R255 IonicContact OD1-NH1 2.61Å; D179-R255 PolarHBondContact OD1-NH1 3.33Å; D179-R255 IonicContact OD2-CZ 3.62Å; D179-R255 VanDerWaalsContact OD2-CZ 3.25Å; D179-R255 IonicContact OD2-NH1 3.13Å; D179-R255 PolarHBondContact OD2-NH1 2.98Å; D179-R255 IonicContact OD2-NH2 3.95Å; D179-R255 PolarHBondContact OD2-NH2 2.85Å; M250-R255 PolarHBondContact O-NE 3.5Å; M250-R255 PolarHBondContact O-NH2 3.3Å; V253-R255 PolarHBondContact O-N 3.28Å; R255-V257 PolarHBondContact O-N 3.23Å
256P32.5Very low52.3Low111 Ų11195.1 Ų95.172%0.72155%0.548SS*.  trans-68.9108.3148.1511.1000105.9E258P256-E258 PolarHBondContact O-N 3.36Å
257V33.3Very low49Very low115 Ų11599.2 Ų99.270%0.69758%0.579SS**  trans-62.8105.2168.4178.40000106.5R255 T259R255-V257 PolarHBondContact O-N 3.23Å; V257-T259 HydrophobicContact CG1-CG2 4.15Å; V257-T259 PolarHBondContact O-N 2.95Å
258E34.8Very low45.9Very low114 Ų114104.6 Ų104.653%0.53362%0.616SS.*  trans-7774.3169.6-76.1-169.8166.600109.2K245 P256 H260K245-E258 IonicContact NZ-OE1 3.93Å; K245-E258 PolarHBondContact NZ-OE1 3.44Å; K245-E258 IonicContact NZ-OE2 3.29Å; K245-E258 PolarHBondContact NZ-OE2 3.26Å; P256-E258 PolarHBondContact O-N 3.36Å; E258-H260 PolarHBondContact O-N 3.42Å; E258-H260 IonicContact OE2-NE2 3.52Å; E258-H260 PolarHBondContact OE2-NE2 3.28Å
259T32.5Very low42.7Very low108 Ų108105.6 Ų105.666%0.66363%0.631SS**  trans-66.591.8150.735.70000107.1V257 M261V257-T259 HydrophobicContact CG1-CG2 4.15Å; V257-T259 PolarHBondContact O-N 2.95Å; T259-M261 PolarHBondContact O-N 3.01Å
260H33.8Very low39.6Very low149 Ų149112.7 Ų112.769%0.6966%0.663SS**  trans-69.474159.8-74.4-77.5000108.3E258E258-H260 PolarHBondContact O-N 3.42Å; E258-H260 IonicContact OE2-NE2 3.52Å; E258-H260 PolarHBondContact OE2-NE2 3.28Å
261M30.7Very low36.9Very low170 Ų170119.1 Ų119.184%0.83769%0.692SS**  trans-115.498.7158.4-70.3-158.972.800106.7T259 G263T259-M261 PolarHBondContact O-N 3.01Å; M261-G263 PolarHBondContact O-N 3.27Å
262S31.3Very low34Very low119 Ų119123.3 Ų123.383%0.83272%0.722SS**  trans-71.6124.7175.3-36.40000109.9
263G26.1Very low31.8Very low67 Ų67129.3 Ų129.369%0.69174%0.743SS**  trans104.686.1144.400000117.4M261M261-G263 PolarHBondContact O-N 3.27Å
264T25Very low30.6Very low149 Ų149128.7 Ų128.791%0.91474%0.74SS**  -161.6113.4126.47.10000109.8
265S27.6Very low30Very low114 Ų114130.7 Ų130.780%0.79774%0.742SS**  trans-79.1125.1169.327.50000109.6
266K28.6Very low29.5Very low206 Ų206130.7 Ų130.790%0.89676%0.763SS**  174.2141.2125.5-94.3170.9-174.4-176.30113.3
267S24.2Very low29.7Very low116 Ų116129.7 Ų129.781%0.81176%0.764SS**  trans85109.7152.3-151.10000120.5
268S27.4Very low30.1Very low112 Ų112130 Ų13078%0.78377%0.768SS**  trans-34135.4147.3-168.10000114.2
269A26.6Very low30.7Very low80 Ų80129.5 Ų129.566%0.66177%0.769SS**  178.6129.4128.500000113
270Q28.1Very low31.7Very low184 Ų184129 Ų12986%0.8677%0.768SS**  trans77.9101.2140.8-69.2175.5-15.800121.3T272Q270-T272 PolarHBondContact O-N 2.9Å
271H30Very low32.3Very low169 Ų169127 Ų12778%0.78276%0.761SS**  trans-28.5123.7142.8-92.2-72.3000114.3
272T25.4Very low33.2Very low127 Ų127121.4 Ų121.478%0.77974%0.742SS**  trans-119.5103.1147.9-47.80000107.5Q270 V274Q270-T272 PolarHBondContact O-N 2.9Å; T272-V274 PolarHBondContact O-N 3.42Å
273K29.1Very low34.4Very low163 Ų163123.3 Ų123.371%0.70974%0.736SS**  trans-76.2113.4171.5-72.8-177.4176.8-179.70108
274V27.1Very low35.9Very low131 Ų131126.9 Ų126.979%0.79473%0.734SS**  trans-93.6105.5158.1-178.80000106.4T272 A276T272-V274 PolarHBondContact O-N 3.42Å; V274-A276 PolarHBondContact O-N 3.08Å
275N29.8Very low37.6Very low144 Ų144125.7 Ų125.777%0.7772%0.718SS**  trans-68.7106.5173.2-73.7-37.4000109.1
276A35.1Very low38.7Very low97 Ų97125.9 Ų125.980%0.80271%0.71SS**  trans-105.974162.400000108.5V274V274-A276 PolarHBondContact O-N 3.08Å
277A37.3Very low39.9Very low89 Ų89121.2 Ų121.274%0.73670%0.695SS**  trans-77.8130.3164.400000108.2N279A277-N279 PolarHBondContact O-N 3.05Å
278P42.6Very low41.5Very low121 Ų121120.2 Ų120.279%0.78668%0.68SS**  trans-69.6126.7179.226.2-30.7000110.2P280P278-P280 WeakPolarHBondContact O-CD 3.36Å
279N47.1Very low42.6Very low105 Ų105119.7 Ų119.756%0.56167%0.668SS**  trans-65.2115-179.6-171-2000110.1A277 L281 A282A277-N279 PolarHBondContact O-N 3.05Å; N279-L281 PolarHBondContact O-N 2.87Å; N279-A282 PolarHBondContact O-N 3.16Å
280P53.7Low43.6Very low97 Ų97119 Ų11963%0.6366%0.662SS**Hα-helixtrans-65.7-22.8-17424.7-33.1000113.5P278 A282 K283P278-P280 WeakPolarHBondContact O-CD 3.36Å; P280-A282 PolarHBondContact O-N 3.15Å; P280-K283 PolarHBondContact O-N 3.04Å
281L45.5Very low44.9Very low107 Ų107120.6 Ų120.656%0.5666%0.661SS**Hα-helixtrans-65.7-35.6176.8-85.4141.2000112.9N279 K283 E284 E285N279-L281 PolarHBondContact O-N 2.87Å; L281-K283 PolarHBondContact O-N 2.91Å; L281-E284 PolarHBondContact O-N 2.96Å; L281-E285 WeakPolarHBondContact O-CG 3.38Å; L281-E285 PolarHBondContact O-N 3.32Å; L281-E285 VanDerWaalsContact O-N 3.16Å
282A50Low45.9Very low53 Ų53119 Ų11944%0.43866%0.657SS.*Hα-helixtrans-67.8-26.7-178.500000112.8N279 P280 L286N279-A282 PolarHBondContact O-N 3.16Å; P280-A282 PolarHBondContact O-N 3.15Å; A282-L286 WeakPolarHBondContact O-CG 3.48Å; A282-L286 PolarHBondContact O-N 3.15Å
283K55.6Low47.1Very low158 Ų158120.6 Ų120.669%0.68766%0.658SS**Hα-helixtrans-76.3-34.6178.4-170.7178.5178.5-177.70111.9P280 L281 N287P280-K283 PolarHBondContact O-N 3.04Å; L281-K283 PolarHBondContact O-N 2.91Å; K283-N287 PolarHBondContact O-N 3.2Å
284E58Low47.6Very low142 Ų142115.7 Ų115.766%0.66465%0.653SS**Hα-helixtrans-74.3-38.8177.6-68.2-172.2164.300111.7L281 L286 N287 L288L281-E284 PolarHBondContact O-N 2.96Å; E284-L286 PolarHBondContact O-N 3.05Å; E284-N287 PolarHBondContact O-N 3.24Å; E284-L288 PolarHBondContact O-N 3.07Å
285E61Low48.2Very low124 Ų124113.1 Ų113.158%0.57965%0.653SS**Hα-helixtrans-63.3-40.3175.1-66.8-69.3149.100112.4L281 L288 L289L281-E285 WeakPolarHBondContact O-CG 3.38Å; L281-E285 PolarHBondContact O-N 3.32Å; L281-E285 VanDerWaalsContact O-N 3.16Å; E285-L288 PolarHBondContact O-N 3.46Å; E285-L289 PolarHBondContact O-N 2.7Å
286L50.6Low48.2Very low119 Ų119113.9 Ų113.962%0.62366%0.656SS**Hα-helixtrans-68.6-35.5175.5-80.2166.3000112.8A282 E284 L289 A290A282-L286 WeakPolarHBondContact O-CG 3.48Å; A282-L286 PolarHBondContact O-N 3.15Å; E284-L286 PolarHBondContact O-N 3.05Å; L286-L289 PolarHBondContact O-N 3.12Å; L286-A290 PolarHBondContact O-N 3.4Å
287N53.2Low48.3Very low108 Ų108117.3 Ų117.358%0.57866%0.656SS**Hα-helixtrans-70-33.2174.1-89.8-14.5000112.4K283 E284 R291K283-N287 PolarHBondContact O-N 3.2Å; E284-N287 PolarHBondContact O-N 3.24Å; N287-R291 PolarHBondContact O-N 3.43Å
288L58.8Low48.1Very low95 Ų95119.4 Ų119.450%0.49766%0.659SS.*Hα-helixtrans-67.3-41.1172.9-173.367.2000111E284 E285 A290 R291 L292E284-L288 PolarHBondContact O-N 3.07Å; E285-L288 PolarHBondContact O-N 3.46Å; L288-A290 PolarHBondContact O-N 2.79Å; L288-R291 PolarHBondContact O-N 3.38Å; L288-L292 HydrophobicContact CG-CD1 4.09Å; L288-L292 WeakPolarHBondContact O-CG 3.33Å; L288-L292 PolarHBondContact O-N 3.11Å
289L49.7Very low47.7Very low100 Ų100121.3 Ų121.352%0.52466%0.657SS.*Hα-helixtrans-61.5-42.5175.3-154.591.5000112E285 L286 R291 L292 M293E285-L289 PolarHBondContact O-N 2.7Å; L286-L289 PolarHBondContact O-N 3.12Å; L289-R291 VanDerWaalsContact C-N 3.28Å; L289-R291 PolarHBondContact O-N 3.3Å; L289-L292 PolarHBondContact O-N 2.93Å; L289-M293 PolarHBondContact O-N 3.41Å; L289-M293 VanDerWaalsContact O-N 3.12Å
290A47.8Very low46.9Very low67 Ų67125.6 Ų125.655%0.55467%0.671SS**Hα-helixtrans-63.9-32.8176.200000112.7L286 L288L286-A290 PolarHBondContact O-N 3.4Å; L288-A290 PolarHBondContact O-N 2.79Å
291R55.5Low46Very low217 Ų217126.7 Ų126.782%0.81968%0.678SS**Hα-helixtrans-77.2-28177.9-156.3171.5-173.4167.21.4112.8N287 L288 L289N287-R291 PolarHBondContact O-N 3.43Å; L288-R291 PolarHBondContact O-N 3.38Å; L289-R291 VanDerWaalsContact C-N 3.28Å; L289-R291 PolarHBondContact O-N 3.3Å
292L51.4Low45.6Very low136 Ų136125.7 Ų125.771%0.71269%0.693SS**Hα-helixtrans-83-21.5177.7-74.6164.3000113.4L288 L289L288-L292 HydrophobicContact CG-CD1 4.09Å; L288-L292 WeakPolarHBondContact O-CG 3.33Å; L288-L292 PolarHBondContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 2.93Å
293M50.9Low44.6Very low160 Ų160128 Ų12879%0.78871%0.706SS**SBendtrans-88.18.6-178.5-76.2-143-52.100116.2L289L289-M293 PolarHBondContact O-N 3.41Å; L289-M293 VanDerWaalsContact O-N 3.12Å
294G38.1Very low43.5Very low60 Ų60125.7 Ų125.762%0.61972%0.717SS**  trans122.798.9163.700000114.3
295G39.7Very low42.5Very low76 Ų76124.1 Ų124.178%0.78471%0.713SS**  trans-70.5121.9155.700000110.1
296L31.4Very low42Very low161 Ų161123.9 Ų123.984%0.84372%0.72SS**  trans-136.199.4155.7-104156.6000106.4V298L296-V298 PolarHBondContact O-N 2.84Å
297E37.3Very low42.3Very low169 Ų169119.4 Ų119.479%0.7970%0.702SS**  trans-61127.9163.4-69.9-169.9154.900108.9
298V32.3Very low43.5Very low133 Ų133116.4 Ų116.481%0.80668%0.684SS**  trans-124.394.7153.9-179.60000106.9L296L296-V298 PolarHBondContact O-N 2.84Å
299Q34.3Very low44.2Very low161 Ų161121.5 Ų121.575%0.75270%0.697SS**  trans-78.1128.2153.3-71.9-174.427.400108.8
300K29.6Very low45.1Very low194 Ų194116.8 Ų116.884%0.84367%0.672SS**  trans160.9161137.4-93.9177.2-178.1-1790110.5
301P36.4Very low46Very low121 Ų121117.3 Ų117.379%0.78667%0.666SS**  -121.8178.7-52.129.5-9.8000109.8
302G35.5Very low46.4Very low85 Ų85107.1 Ų107.188%0.87663%0.628SS**  trans-57.5132.8-165.700000117.4
303S29.4Very low47Very low102 Ų102101.4 Ų101.471%0.71360%0.597SS**  trans-105.8120.9137.759.60000106.7D305S303-D305 PolarHBondContact O-N 3.27Å
304A33.5Very low46.9Very low109 Ų10998.5 Ų98.590%0.90160%0.598SS**  trans-69.371.8168.900000109
305D36.3Very low47.4Very low109 Ų10998.5 Ų98.558%0.58359%0.587SS**  trans-103.5100.2166.4-149.7-0.5000105.1S303 G307S303-D305 PolarHBondContact O-N 3.27Å; D305-G307 PolarHBondContact O-N 3.49Å; D305-G307 VanDerWaalsContact O-N 3.12Å
306T50.9Low47.7Very low120 Ų120101 Ų10174%0.73658%0.582SS**  trans-68.2-6.1-177.950.20000111.9I79I79-T306 WeakPolarHBondContact CD1-O 3.43Å; I79-T306 WeakPolarHBondContact CG1-O 3.5Å
307G56.1Low48.4Very low24 Ų24100.3 Ų100.325%0.24757%0.574CS.*  trans-68.4147.3177.700000114.6I79 D305I79-G307 WeakPolarHBondContact O-CA 3.42Å; D305-G307 PolarHBondContact O-N 3.49Å; D305-G307 VanDerWaalsContact O-N 3.12Å
308F79.4Confident49.1Very low45 Ų4596.4 Ų96.420%0.19756%0.556CS.*EExtended strand (participates in β ladder)trans-113.1138.9167.571.7-86.4000110.5L25 I30 V38 I79 R81 V310L25-F308 HydrophobicContact CD2-CZ 4.38Å; I30-F308 HydrophobicContact CD1-CD2 4.46Å; I30-F308 HydrophobicContact CD1-CE2 3.84Å; I30-F308 HydrophobicContact CG1-CE2 4.33Å; I30-F308 HydrophobicContact CG2-CE2 4.49Å; I30-F308 HydrophobicContact CG2-CZ 4.19Å; V38-F308 HydrophobicContact CG2-CE1 4.04Å; V38-F308 HydrophobicContact CG2-CZ 4.08Å; I79-F308 HydrophobicContact CG2-CD1 4.04Å; I79-F308 HydrophobicContact CG2-CE1 3.69Å; I79-F308 PolarHBondContact O-N 2.92Å; I79-F308 VanDerWaalsContact O-N 3.16Å; R81-F308 PolarHBondContact N-O 3.07Å; F308-V310 HydrophobicContact CD2-CG2 3.57Å; F308-V310 HydrophobicContact CE2-CG2 3.21Å; F308-V310 HydrophobicContact CZ-CG2 4.21Å
309R73.7Confident49.9Very low202 Ų20291.7 Ų91.776%0.76253%0.525SS*.EExtended strand (participates in β ladder)trans-83.9129.1-179-67.3179.570.51680.9110R81R81-R309 HydrophobicContact CB-CG 4.31Å; R81-R309 WeakPolarHBondContact O-CA 3.35Å
310V68.1Low50.4Low1 Ų190.1 Ų90.11%0.00652%0.518CS..EExtended strand (participates in β ladder)trans-115.6119.3175.8169.90000107.7M80 R81 L82 F308 L312M80-V310 HydrophobicContact CG-CB 3.93Å; M80-V310 HydrophobicContact CG-CG2 3.69Å; M80-V310 HydrophobicContact SD-CB 4.16Å; M80-V310 HydrophobicContact SD-CG1 4.29Å; M80-V310 HydrophobicContact SD-CG2 4.09Å; R81-V310 PolarHBondContact O-N 2.92Å; L82-V310 HydrophobicContact CD2-CB 3.84Å; L82-V310 HydrophobicContact CD2-CG1 3.87Å; L82-V310 VanDerWaalsContact CD2-O 3.22Å; L82-V310 WeakPolarHBondContact CD2-O 3.39Å; F308-V310 HydrophobicContact CD2-CG2 3.57Å; F308-V310 HydrophobicContact CE2-CG2 3.21Å; F308-V310 HydrophobicContact CZ-CG2 4.21Å; V310-L312 HydrophobicContact CG1-CD2 4.1Å; V310-L312 HydrophobicContact CG1-CG 4.31Å
311N66.9Low51.5Low79 Ų7986.9 Ų86.942%0.42251%0.506SS..  trans-89.5111.1164.8-74.9-8.5000107.1Q28 N83 F313Q28-N311 PolarHBondContact NE2-O 3.24Å; N83-N311 PolarHBondContact ND2-OD1 3.39Å; N83-N311 VanDerWaalsContact ND2-OD1 3.11Å; N311-F313 PolarHBondContact O-N 3.21Å; N311-F313 VanDerWaalsContact O-N 3.12Å
312L64Low52.2Low2 Ų282.5 Ų82.51%0.0148%0.479CS..SBendtrans-66.6-14.4-175.3-74.6166000112.5L21 R24 L82 S86 L90 V310L21-L312 HydrophobicContact CD2-CD1 4.34Å; L21-L312 HydrophobicContact CD2-CD2 3.87Å; R24-L312 HydrophobicContact CB-CD2 3.55Å; R24-L312 WeakPolarHBondContact CD-O 3.3Å; R24-L312 HydrophobicContact CG-CD2 3.63Å; R24-L312 PolarHBondContact NE-O 3.31Å; R24-L312 PolarHBondContact NH1-O 2.92Å; L82-L312 HydrophobicContact CD1-CD1 3.65Å; L82-L312 HydrophobicContact CD1-CG 4.44Å; L82-L312 HydrophobicContact CD2-CD1 3.63Å; L82-L312 HydrophobicContact CD2-CD2 4.17Å; L82-L312 HydrophobicContact CD2-CG 3.54Å; L82-L312 HydrophobicContact CG-CD1 4.24Å; S86-L312 PolarHBondContact OG-N 3.44Å; L90-L312 HydrophobicContact CB-CD1 4.07Å; L90-L312 HydrophobicContact CD2-CD1 4.22Å; V310-L312 HydrophobicContact CG1-CD2 4.1Å; V310-L312 HydrophobicContact CG1-CG 4.31Å
313F62.4Low52.9Low17 Ų1784.2 Ų84.28%0.07547%0.468CS..SBendtrans-131.3138.3-174.3-55-86.6000109.7R24 K89 L93 N311R24-F313 VanDerWaalsContact NH2-CE1 3.25Å; K89-F313 HydrophobicContact CB-CD2 4.1Å; K89-F313 HydrophobicContact CB-CE1 4.33Å; K89-F313 HydrophobicContact CB-CE2 3.3Å; K89-F313 HydrophobicContact CB-CZ 3.45Å; K89-F313 VanDerWaalsContact CB-CZ 3.45Å; K89-F313 HydrophobicContact CD-CB 4.44Å; K89-F313 HydrophobicContact CD-CD1 3.9Å; K89-F313 HydrophobicContact CD-CD2 3.28Å; K89-F313 HydrophobicContact CD-CE1 3.96Å; K89-F313 HydrophobicContact CD-CE2 3.37Å; K89-F313 HydrophobicContact CD-CG 3.58Å; K89-F313 HydrophobicContact CD-CZ 3.72Å; K89-F313 HydrophobicContact CG-CD2 4.36Å; K89-F313 HydrophobicContact CG-CE2 4.01Å; K89-F313 HydrophobicContact CG-CZ 4.23Å; L93-F313 HydrophobicContact CD1-CE1 4.12Å; L93-F313 HydrophobicContact CD1-CZ 3.86Å; N311-F313 PolarHBondContact O-N 3.21Å; N311-F313 VanDerWaalsContact O-N 3.12Å
314A48.7Very low53.9Low98 Ų9886.2 Ų86.281%0.8147%0.469SS*.SBendtrans-91.6-9-160.600000114.3
315T50.1Low54.6Low61 Ų6183.1 Ų83.137%0.37444%0.441SS..  trans-132.6133.9-174.950.40000111.1E317 E318 E319T315-E317 PolarHBondContact O-N 2.86Å; T315-E318 PolarHBondContact O-N 3.26Å; T315-E318 WeakPolarHBondContact OG1-CB 3.38Å; T315-E318 VanDerWaalsContact OG1-CG 3.22Å; T315-E318 WeakPolarHBondContact OG1-CG 3.38Å; T315-E318 PolarHBondContact OG1-N 3.29Å; T315-E319 PolarHBondContact O-N 2.85Å
316D45.1Very low55.4Low127 Ų12779.6 Ų79.668%0.67942%0.42SS*.Hα-helixtrans-58.2-29.2172.7-61.7-28.2000110.8E319 E320D316-E319 CarbonylContact O-C 3.57Å; D316-E319 WeakPolarHBondContact O-CB 3.43Å; D316-E319 PolarHBondContact O-N 3.14Å; D316-E320 PolarHBondContact O-N 3.23Å
317E46.6Very low55.6Low148 Ų14876.5 Ų76.569%0.69240%0.401SS*.Hα-helixtrans-65.6-41173.2-65.6179.1170.800113.2T315 E319 E320 E321T315-E317 PolarHBondContact O-N 2.86Å; E317-E319 PolarHBondContact O-N 3.41Å; E317-E320 PolarHBondContact O-N 2.94Å; E317-E321 WeakPolarHBondContact O-CB 3.33Å; E317-E321 PolarHBondContact O-N 3.4Å
318E52.9Low55.2Low86 Ų8682.6 Ų82.640%0.40243%0.428SS..Hα-helixtrans-65.7-31.1172.8-83.5-176.6179.600110.6K89 T315 A322K89-E318 WeakPolarHBondContact CE-O 3.02Å; K89-E318 PolarHBondContact NZ-O 3.33Å; T315-E318 PolarHBondContact O-N 3.26Å; T315-E318 WeakPolarHBondContact OG1-CB 3.38Å; T315-E318 VanDerWaalsContact OG1-CG 3.22Å; T315-E318 WeakPolarHBondContact OG1-CG 3.38Å; T315-E318 PolarHBondContact OG1-N 3.29Å; E318-A322 WeakPolarHBondContact O-CB 3Å; E318-A322 PolarHBondContact O-N 3.26Å
319E47.3Very low54Low34 Ų3489 Ų8916%0.15946%0.459CS..Hα-helixtrans-73.2-42175.5-72.2-167.5163.900112.5N83 A85 T315 D316 E317 A322 L323N83-E319 PolarHBondContact ND2-OE1 3.33Å; A85-E319 HydrophobicContact CB-CG 4.48Å; T315-E319 PolarHBondContact O-N 2.85Å; D316-E319 CarbonylContact O-C 3.57Å; D316-E319 WeakPolarHBondContact O-CB 3.43Å; D316-E319 PolarHBondContact O-N 3.14Å; E317-E319 PolarHBondContact O-N 3.41Å; E319-A322 WeakPolarHBondContact O-CB 3.35Å; E319-A322 PolarHBondContact O-N 3.37Å; E319-L323 PolarHBondContact O-N 3.14Å
320E45.3Very low52.8Low128 Ų12880.1 Ų80.160%0.59843%0.426SS*.Hα-helixtrans-67.2-43.8174.9-78.9-169.1155.300112.8D316 E317 A322 L323 I324D316-E320 PolarHBondContact O-N 3.23Å; E317-E320 PolarHBondContact O-N 2.94Å; E320-A322 PolarHBondContact O-N 3.04Å; E320-L323 PolarHBondContact O-N 3.47Å; E320-L323 VanDerWaalsContact O-N 3.17Å; E320-I324 WeakPolarHBondContact O-CD1 3.48Å; E320-I324 VanDerWaalsContact O-CG1 3.29Å; E320-I324 WeakPolarHBondContact O-CG1 3.37Å; E320-I324 PolarHBondContact O-N 3.01Å; E320-I324 VanDerWaalsContact O-N 3.07Å
321E53.8Low51.7Low127 Ų12783.8 Ų83.859%0.59345%0.452SS*.Hα-helixtrans-59-31173.9-80.7-163.8154.800112.2E317 S325E317-E321 WeakPolarHBondContact O-CB 3.33Å; E317-E321 PolarHBondContact O-N 3.4Å; E321-S325 VanDerWaalsContact O-CB 3.22Å; E321-S325 WeakPolarHBondContact O-CB 3.49Å; E321-S325 PolarHBondContact O-N 2.81Å; E321-S325 PolarHBondContact O-OG 2.82Å
322A49.8Very low50.9Low28 Ų2881.1 Ų81.123%0.23144%0.436CS..Hα-helixtrans-74.5-34.7178.800000112.9K89 E318 E319 E320K89-A322 HydrophobicContact CD-CB 4.29Å; K89-A322 HydrophobicContact CG-CB 4.15Å; E318-A322 WeakPolarHBondContact O-CB 3Å; E318-A322 PolarHBondContact O-N 3.26Å; E319-A322 WeakPolarHBondContact O-CB 3.35Å; E319-A322 PolarHBondContact O-N 3.37Å; E320-A322 PolarHBondContact O-N 3.04Å
323L50.4Low49.6Very low122 Ų12283.6 Ų83.664%0.63946%0.462SS*.Hα-helixtrans-69-37.9173-72.5165.9000111.3E319 E320E319-L323 PolarHBondContact O-N 3.14Å; E320-L323 PolarHBondContact O-N 3.47Å; E320-L323 VanDerWaalsContact O-N 3.17Å
324I50.1Low48.4Very low143 Ų14388.4 Ų88.473%0.73349%0.493SS*.Hα-helixtrans-77-33-177.9-62164.1000112.1E320 R326E320-I324 WeakPolarHBondContact O-CD1 3.48Å; E320-I324 VanDerWaalsContact O-CG1 3.29Å; E320-I324 WeakPolarHBondContact O-CG1 3.37Å; E320-I324 PolarHBondContact O-N 3.01Å; E320-I324 VanDerWaalsContact O-N 3.07Å; I324-R326 VanDerWaalsContact C-N 3.28Å; I324-R326 PolarHBondContact O-N 3.32Å
325S49.2Very low47.6Very low44 Ų4488.7 Ų88.731%0.30848%0.484SS..THydrogen-bonded Turntrans-83.1-0.4-179.460.80000114.4E321E321-S325 VanDerWaalsContact O-CB 3.22Å; E321-S325 WeakPolarHBondContact O-CB 3.49Å; E321-S325 PolarHBondContact O-N 2.81Å; E321-S325 PolarHBondContact O-OG 2.82Å
326R52.9Low46.6Very low36 Ų3691.3 Ų91.314%0.13651%0.505CS..SBendtrans-88.7127.4-175.9-149.3175.3-160.6-168.54.3111.7D88 D92 I324 N328 L330D88-R326 IonicContact OD1-CZ 3.98Å; D88-R326 IonicContact OD1-NH1 3.19Å; D88-R326 PolarHBondContact OD1-NH1 2.79Å; D88-R326 IonicContact OD1-NH2 3.64Å; D88-R326 PolarHBondContact OD1-NH2 3.29Å; D88-R326 IonicContact OD2-NH1 2.75Å; D88-R326 PolarHBondContact OD2-NH1 3.16Å; D92-R326 IonicContact OD1-NH2 3.59Å; D92-R326 IonicContact OD2-CZ 3.14Å; D92-R326 IonicContact OD2-NE 2.59Å; D92-R326 IonicContact OD2-NH2 2.82Å; I324-R326 VanDerWaalsContact C-N 3.28Å; I324-R326 PolarHBondContact O-N 3.32Å; R326-N328 PolarHBondContact O-N 3.44Å; R326-L330 HydrophobicContact CG-CB 4.33Å; R326-L330 PolarHBondContact NE-O 3.41Å; R326-L330 PolarHBondContact NH1-O 3.23Å
327P55.1Low46.1Very low54 Ų5490.2 Ų90.235%0.35150%0.498SS..  trans-60.6135.2168-18.229.5000110.4E329 L330P327-E329 PolarHBondContact O-N 2.94Å; P327-L330 HydrophobicContact CB-CD1 4.49Å; P327-L330 HydrophobicContact CG-CD1 4.02Å; P327-L330 PolarHBondContact O-N 3.18Å
328N46.9Very low45.7Very low152 Ų15292.4 Ų92.481%0.81351%0.508SS*.G310 helixtrans-53.8-27.7178.8-90.7-9.7000113.5R326 L330 S331R326-N328 PolarHBondContact O-N 3.44Å; N328-L330 PolarHBondContact O-N 3.29Å; N328-S331 WeakPolarHBondContact O-CB 3.35Å; N328-S331 PolarHBondContact O-N 3.42Å
329E54.2Low44.8Very low180 Ų18090.9 Ų90.984%0.84151%0.511SS*.G310 helixtrans-69.5-17.3176.6-66.2178.5174.100114P327P327-E329 PolarHBondContact O-N 2.94Å
330L48.8Very low44.3Very low16 Ų1696 Ų968%0.08454%0.544CS..G310 helixtrans-104.77.8177.1-58.3176.8000112.4I171 R326 P327 N328 Y332I171-L330 HydrophobicContact CD1-CD1 4.02Å; I171-L330 HydrophobicContact CG1-CD1 4.02Å; R326-L330 HydrophobicContact CG-CB 4.33Å; R326-L330 PolarHBondContact NE-O 3.41Å; R326-L330 PolarHBondContact NH1-O 3.23Å; P327-L330 HydrophobicContact CB-CD1 4.49Å; P327-L330 HydrophobicContact CG-CD1 4.02Å; P327-L330 PolarHBondContact O-N 3.18Å; N328-L330 PolarHBondContact O-N 3.29Å; L330-Y332 HydrophobicContact CB-CE2 4.26Å; L330-Y332 VanDerWaalsContact CD2-OH 3.31Å; L330-Y332 WeakPolarHBondContact CD2-OH 3.05Å; L330-Y332 WeakPolarHBondContact O-CD2 3.42Å; L330-Y332 WeakPolarHBondContact O-CE2 3.49Å; L330-Y332 PolarHBondContact O-N 3.04Å; L330-Y332 VanDerWaalsContact O-N 3.08Å
331S44.2Very low44.1Very low78 Ų7898.2 Ų98.255%0.54555%0.552SS.*  trans-71.695.9171163.90000109.9N328 G333N328-S331 WeakPolarHBondContact O-CB 3.35Å; N328-S331 PolarHBondContact O-N 3.42Å; S331-G333 PolarHBondContact O-N 2.85Å
332Y50.7Low43.8Very low23 Ų2398 Ų989%0.0956%0.555CS.*  trans-88.883.3177.2-54.5-73.3000110.5K65 L330 V334K65-Y332 HydrophobicContact CG-CD1 3.87Å; K65-Y332 HydrophobicContact CG-CE1 3.79Å; L330-Y332 HydrophobicContact CB-CE2 4.26Å; L330-Y332 VanDerWaalsContact CD2-OH 3.31Å; L330-Y332 WeakPolarHBondContact CD2-OH 3.05Å; L330-Y332 WeakPolarHBondContact O-CD2 3.42Å; L330-Y332 WeakPolarHBondContact O-CE2 3.49Å; L330-Y332 PolarHBondContact O-N 3.04Å; L330-Y332 VanDerWaalsContact O-N 3.08Å; Y332-V334 PolarHBondContact O-N 3.26Å
333G37.1Very low43.6Very low54 Ų54105.1 Ų105.156%0.55758%0.583SS**  trans-58.7127.3159.800000108.7S331 V335S331-G333 PolarHBondContact O-N 2.85Å; G333-V335 PolarHBondContact O-N 2.97Å
334V36.3Very low43.5Very low118 Ų118106.5 Ų106.572%0.71559%0.586SS**  trans-67.985.2168.8-179.60000106.9Y332Y332-V334 PolarHBondContact O-N 3.26Å
335V32.4Very low43.4Very low103 Ų103101.6 Ų101.662%0.62457%0.567SS**  trans-88.1131.8165.8-179.70000105.8G333 I337G333-V335 PolarHBondContact O-N 2.97Å; V335-I337 HydrophobicContact CB-CG1 4.26Å; V335-I337 HydrophobicContact CG1-CG1 4.42Å; V335-I337 WeakPolarHBondContact O-CG1 3.13Å; V335-I337 PolarHBondContact O-N 3.47Å
336S29.3Very low43.7Very low117 Ų117102 Ų10282%0.81857%0.566SS**  trans-63.692.8165.561.70000107.6Q338S336-Q338 PolarHBondContact O-N 2.94Å; S336-Q338 VanDerWaalsContact O-N 3.11Å
337I35.5Very low44.1Very low103 Ų103103 Ų10353%0.52858%0.582SS.*  trans-77.9102.6-174.9-68.8168000108.5V335 A339V335-I337 HydrophobicContact CB-CG1 4.26Å; V335-I337 HydrophobicContact CG1-CG1 4.42Å; V335-I337 WeakPolarHBondContact O-CG1 3.13Å; V335-I337 PolarHBondContact O-N 3.47Å; I337-A339 HydrophobicContact CG2-CB 3.09Å; I337-A339 PolarHBondContact O-N 3.38Å
338Q36.6Very low44.4Very low194 Ų194103.2 Ų103.291%0.90758%0.578SS**  trans-78.495.6142.3-81.3-179.2-14.100106.5S336S336-Q338 PolarHBondContact O-N 2.94Å; S336-Q338 VanDerWaalsContact O-N 3.11Å
339A35.7Very low45.2Very low55 Ų5596.5 Ų96.546%0.45554%0.543SS..  trans-109.2118.4174.900000110.5I337 K341 N346I337-A339 HydrophobicContact CG2-CB 3.09Å; I337-A339 PolarHBondContact O-N 3.38Å; A339-K341 VanDerWaalsContact C-N 3.33Å; A339-K341 PolarHBondContact O-N 3.28Å; A339-N346 PolarHBondContact O-ND2 2.95Å
340T35.2Very low45.6Very low140 Ų14092.5 Ų92.586%0.85953%0.53SS*.  trans-90.924.2-174.2460000114
341K41.8Very low46.5Very low176 Ų17696.7 Ų96.777%0.76555%0.548SS*.SBendtrans-123.6123.4175.2-73.3-177.5175.6178.90108.8A339 N346A339-K341 VanDerWaalsContact C-N 3.33Å; A339-K341 PolarHBondContact O-N 3.28Å; K341-N346 PolarHBondContact O-ND2 2.94Å
342D46.5Very low47.5Very low122 Ų12293 Ų9365%0.65252%0.522SS*.  trans83.571.5-174.3-56.9-23.1000116.5Q344 A345 N346D342-Q344 VanDerWaalsContact C-N 3.25Å; D342-Q344 PolarHBondContact O-N 3.16Å; D342-A345 HydrophobicContact CB-CB 4.45Å; D342-N346 WeakPolarHBondContact O-CB 3.3Å; D342-N346 PolarHBondContact O-N 2.77Å; D342-N346 PolarHBondContact O-ND2 2.9Å
343Q46.3Very low48.1Very low178 Ų17893.9 Ų93.983%0.83253%0.528SS*.Hα-helixtrans-54.6-33.5178.2-76.4177.2-16.600114.3A347Q343-A347 VanDerWaalsContact O-CB 3.24Å; Q343-A347 WeakPolarHBondContact O-CB 3.46Å; Q343-A347 PolarHBondContact O-N 3.12Å
344Q48.7Very low49.1Very low150 Ų15092.7 Ų92.770%0.70152%0.515SS*.Hα-helixtrans-83-50.7-173.9-164.7167.1-7.500112.8D342 N346 A347 E348D342-Q344 VanDerWaalsContact C-N 3.25Å; D342-Q344 PolarHBondContact O-N 3.16Å; Q344-N346 VanDerWaalsContact C-N 3.26Å; Q344-N346 PolarHBondContact O-N 3.43Å; Q344-A347 PolarHBondContact O-N 3.29Å; Q344-A347 VanDerWaalsContact O-N 3.14Å; Q344-E348 PolarHBondContact O-N 3.43Å; Q344-E348 VanDerWaalsContact O-N 3.07Å
345A47.9Very low50.7Low40 Ų4088.2 Ų88.233%0.33149%0.487SS..Hα-helixtrans-63.9-33.2173.800000111.9D342 L349D342-A345 HydrophobicContact CB-CB 4.45Å; A345-L349 VanDerWaalsContact O-CB 3.32Å; A345-L349 WeakPolarHBondContact O-CB 3.29Å; A345-L349 PolarHBondContact O-N 2.94Å
346N55.4Low51.8Low54 Ų5484.5 Ų84.529%0.28946%0.462SS..Hα-helixtrans-70.1-35.8173.2-72.5-31.3000112.5A339 K341 D342 Q344 T350A339-N346 PolarHBondContact O-ND2 2.95Å; K341-N346 PolarHBondContact O-ND2 2.94Å; D342-N346 WeakPolarHBondContact O-CB 3.3Å; D342-N346 PolarHBondContact O-N 2.77Å; D342-N346 PolarHBondContact O-ND2 2.9Å; Q344-N346 VanDerWaalsContact C-N 3.26Å; Q344-N346 PolarHBondContact O-N 3.43Å; N346-T350 WeakPolarHBondContact O-CB 3.47Å; N346-T350 PolarHBondContact O-N 3.39Å; N346-T350 PolarHBondContact O-OG1 3.41Å
347A60.4Low52.8Low57 Ų5783.8 Ų83.847%0.47145%0.453SS..Hα-helixtrans-66.6-42.317600000111.4Q343 Q344 T350 K351Q343-A347 VanDerWaalsContact O-CB 3.24Å; Q343-A347 WeakPolarHBondContact O-CB 3.46Å; Q343-A347 PolarHBondContact O-N 3.12Å; Q344-A347 PolarHBondContact O-N 3.29Å; Q344-A347 VanDerWaalsContact O-N 3.14Å; A347-T350 PolarHBondContact O-N 3.18Å; A347-K351 WeakPolarHBondContact O-CB 2.99Å; A347-K351 PolarHBondContact O-N 2.68Å
348E62.4Low53.2Low57 Ų5785 Ų8527%0.26646%0.456SS..Hα-helixtrans-64.2-48.4175.6-70.2169176.400111.1Q59 Q344 T350 K351 I352Q59-E348 PolarHBondContact OE1-OE2 2.88Å; Q344-E348 PolarHBondContact O-N 3.43Å; Q344-E348 VanDerWaalsContact O-N 3.07Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 3.15Å; E348-K351 WeakPolarHBondContact O-CB 3.44Å; E348-K351 PolarHBondContact O-N 2.84Å; E348-I352 VanDerWaalsContact O-CB 3.3Å; E348-I352 WeakPolarHBondContact O-CB 3.42Å; E348-I352 WeakPolarHBondContact O-CD1 3.16Å; E348-I352 WeakPolarHBondContact O-CG1 3.43Å; E348-I352 PolarHBondContact O-N 3Å
349L63.1Low53.1Low12 Ų1280.9 Ų80.96%0.06345%0.449CS..Hα-helixtrans-59.3-41.5172.8-87.9159.5000112.5Y62 A66 V70 A345 I352 M353Y62-L349 HydrophobicContact CD1-CD1 3.8Å; Y62-L349 HydrophobicContact CD1-CD2 4.1Å; Y62-L349 HydrophobicContact CD1-CG 3.85Å; Y62-L349 HydrophobicContact CD2-CD2 3.75Å; Y62-L349 HydrophobicContact CD2-CG 4.41Å; Y62-L349 HydrophobicContact CE1-CD1 4.23Å; Y62-L349 HydrophobicContact CE1-CD2 4.12Å; Y62-L349 HydrophobicContact CE1-CG 3.79Å; Y62-L349 HydrophobicContact CE2-CD2 3.75Å; Y62-L349 HydrophobicContact CE2-CG 4.35Å; Y62-L349 HydrophobicContact CG-CD1 4.11Å; Y62-L349 HydrophobicContact CG-CD2 3.94Å; Y62-L349 HydrophobicContact CG-CG 4.19Å; A66-L349 HydrophobicContact CB-CD1 3.65Å; A66-L349 HydrophobicContact CB-CD2 4.23Å; V70-L349 HydrophobicContact CG2-CD2 4.1Å; A345-L349 VanDerWaalsContact O-CB 3.32Å; A345-L349 WeakPolarHBondContact O-CB 3.29Å; A345-L349 PolarHBondContact O-N 2.94Å; L349-I352 PolarHBondContact O-N 3.34Å; L349-M353 WeakPolarHBondContact O-CB 3.44Å; L349-M353 WeakPolarHBondContact O-CG 3.35Å; L349-M353 PolarHBondContact O-N 3.44Å
350T63.3Low52.8Low95 Ų9580.8 Ų80.858%0.58345%0.453SS*.Hα-helixtrans-67-39.9179.2-59.60000111N346 A347 E348 M353 G354N346-T350 WeakPolarHBondContact O-CB 3.47Å; N346-T350 PolarHBondContact O-N 3.39Å; N346-T350 PolarHBondContact O-OG1 3.41Å; A347-T350 PolarHBondContact O-N 3.18Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 3.15Å; T350-M353 PolarHBondContact O-N 3.42Å; T350-G354 PolarHBondContact O-N 3.38Å
351K68Low52.4Low105 Ų10581.6 Ų81.646%0.45745%0.452SS..Hα-helixtrans-60.7-51.5174-174.6-175.8179.5-172.60110.8E54 A347 E348 M353 G354 E355E54-K351 HydrophobicContact CG-CD 4.42Å; E54-K351 IonicContact OE1-NZ 3.87Å; E54-K351 PolarHBondContact OE1-NZ 2.64Å; E54-K351 IonicContact OE2-NZ 2.82Å; A347-K351 WeakPolarHBondContact O-CB 2.99Å; A347-K351 PolarHBondContact O-N 2.68Å; E348-K351 WeakPolarHBondContact O-CB 3.44Å; E348-K351 PolarHBondContact O-N 2.84Å; K351-M353 VanDerWaalsContact C-N 3.31Å; K351-M353 PolarHBondContact O-N 3.33Å; K351-G354 PolarHBondContact O-N 2.98Å; K351-G354 VanDerWaalsContact O-N 3.14Å; K351-E355 PolarHBondContact O-N 3.49Å
352I63.8Low51.9Low0 Ų079.2 Ų79.20%046%0.455CS..Hα-helixtrans-58.4-42.7176-73.8169.9000111.3F51 E54 Y62 E348 L349 G354 E355 F356F51-I352 HydrophobicContact CD2-CB 4.33Å; F51-I352 HydrophobicContact CD2-CG1 4.49Å; F51-I352 HydrophobicContact CD2-CG2 3.33Å; F51-I352 HydrophobicContact CE2-CG2 3.24Å; E54-I352 HydrophobicContact CB-CD1 3.99Å; E54-I352 HydrophobicContact CB-CG1 3.83Å; E54-I352 HydrophobicContact CG-CG1 4.36Å; Y62-I352 WeakPolarHBondContact OH-CD1 3.11Å; E348-I352 VanDerWaalsContact O-CB 3.3Å; E348-I352 WeakPolarHBondContact O-CB 3.42Å; E348-I352 WeakPolarHBondContact O-CD1 3.16Å; E348-I352 WeakPolarHBondContact O-CG1 3.43Å; E348-I352 PolarHBondContact O-N 3Å; L349-I352 PolarHBondContact O-N 3.34Å; I352-G354 VanDerWaalsContact C-N 3.32Å; I352-G354 PolarHBondContact O-N 3.26Å; I352-E355 PolarHBondContact O-N 3.07Å; I352-F356 HydrophobicContact CG2-CE2 4.11Å; I352-F356 WeakPolarHBondContact O-CD2 3.26Å
353M63.6Low51.1Low42 Ų4278.1 Ų78.121%0.20746%0.456CS..Hα-helixtrans-69-28.7178.7-78.117673.400113T69 R73 L349 T350 K351T69-M353 HydrophobicContact CG2-CE 3.85Å; R73-M353 PolarHBondContact NH1-O 2.84Å; L349-M353 WeakPolarHBondContact O-CB 3.44Å; L349-M353 WeakPolarHBondContact O-CG 3.35Å; L349-M353 PolarHBondContact O-N 3.44Å; T350-M353 PolarHBondContact O-N 3.42Å; K351-M353 VanDerWaalsContact C-N 3.31Å; K351-M353 PolarHBondContact O-N 3.33Å
354G59.3Low50.7Low29 Ų2975.6 Ų75.630%0.29946%0.459SS..Hα-helixtrans-71.8-31.1172.500000112.9T350 K351 I352 F356 T357T350-G354 PolarHBondContact O-N 3.38Å; K351-G354 PolarHBondContact O-N 2.98Å; K351-G354 VanDerWaalsContact O-N 3.14Å; I352-G354 VanDerWaalsContact C-N 3.32Å; I352-G354 PolarHBondContact O-N 3.26Å; G354-F356 VanDerWaalsContact C-N 3.31Å; G354-F356 PolarHBondContact O-N 3.35Å; G354-T357 PolarHBondContact O-N 3.27Å; G354-T357 VanDerWaalsContact O-N 3.14Å; G354-T357 PolarHBondContact O-OG1 3.34Å
355E69.7Low49.8Very low24 Ų2473.7 Ų73.711%0.11246%0.462CS..Hα-helixtrans-70.1-27.1178.3-69.3173.8-17800112.8K50 F51 K351 I352 T357K50-E355 VanDerWaalsContact CB-CD 3.47Å; K50-E355 HydrophobicContact CB-CG 4.3Å; K50-E355 VanDerWaalsContact CB-OE2 3.27Å; K50-E355 WeakPolarHBondContact CB-OE2 3.44Å; K50-E355 HydrophobicContact CD-CG 4.33Å; F51-E355 WeakPolarHBondContact CA-OE2 3.31Å; F51-E355 PolarHBondContact N-OE2 2.86Å; K351-E355 PolarHBondContact O-N 3.49Å; I352-E355 PolarHBondContact O-N 3.07Å; E355-T357 PolarHBondContact O-N 2.92Å
356F55.7Low49.2Very low24 Ų2476.5 Ų76.511%0.10549%0.485CS..THydrogen-bonded Turntrans-70.1-17.6172.3-68.2-53.1000114T45 F51 V70 L74 I352 G354T45-F356 HydrophobicContact CG2-CD1 3.4Å; T45-F356 VanDerWaalsContact CG2-CD1 3.4Å; T45-F356 HydrophobicContact CG2-CE1 3.72Å; F51-F356 HydrophobicContact CD1-CZ 4.49Å; F51-F356 HydrophobicContact CD2-CE1 4.04Å; F51-F356 AromaticContact CD2-CE2 3.87Å; F51-F356 HydrophobicContact CD2-CE2 3.87Å; F51-F356 AromaticContact CD2-CZ 3.39Å; F51-F356 HydrophobicContact CD2-CZ 3.39Å; F51-F356 HydrophobicContact CE1-CZ 4.45Å; F51-F356 HydrophobicContact CE2-CE1 4.3Å; F51-F356 AromaticContact CE2-CE2 3.74Å; F51-F356 HydrophobicContact CE2-CE2 3.74Å; F51-F356 AromaticContact CE2-CZ 3.31Å; F51-F356 HydrophobicContact CE2-CZ 3.31Å; F51-F356 HydrophobicContact CG-CE1 4.27Å; F51-F356 HydrophobicContact CG-CZ 4.02Å; F51-F356 AromaticContact CZ-CZ 3.91Å; F51-F356 HydrophobicContact CZ-CZ 3.91Å; V70-F356 HydrophobicContact CG1-CE2 4.06Å; V70-F356 HydrophobicContact CG1-CZ 4.27Å; L74-F356 HydrophobicContact CD1-CE1 4.5Å; I352-F356 HydrophobicContact CG2-CE2 4.11Å; I352-F356 WeakPolarHBondContact O-CD2 3.26Å; G354-F356 VanDerWaalsContact C-N 3.31Å; G354-F356 PolarHBondContact O-N 3.35Å
357T48.8Very low48.1Very low102 Ų10279.3 Ų79.363%0.62651%0.509SS*.THydrogen-bonded Turntrans-95.6-11.7-179.144.90000114G354 E355 S359G354-T357 PolarHBondContact O-N 3.27Å; G354-T357 VanDerWaalsContact O-N 3.14Å; G354-T357 PolarHBondContact O-OG1 3.34Å; E355-T357 PolarHBondContact O-N 2.92Å; T357-S359 VanDerWaalsContact C-N 3.27Å; T357-S359 PolarHBondContact O-N 3.13Å
358E44.5Very low46.9Very low130 Ų13081 Ų8161%0.60752%0.517SS*.THydrogen-bonded Turntrans-80.23.6-178.5-73.3-170.6162.200114.4K50 G360K50-E358 IonicContact NZ-OE2 2.82Å; K50-E358 PolarHBondContact NZ-OE2 3.45Å; E358-G360 PolarHBondContact O-N 2.96Å
359S35.1Very low46Very low106 Ų10687.3 Ų87.374%0.74154%0.544SS*.THydrogen-bonded Turntrans-8417.9178.849.90000114.7T357T357-S359 VanDerWaalsContact C-N 3.27Å; T357-S359 PolarHBondContact O-N 3.13Å
360G30Very low45.2Very low53 Ų5388.3 Ų88.355%0.54656%0.557SS.*SBendtrans-119.6113.7166.100000110.1E358E358-G360 PolarHBondContact O-N 2.96Å
361D26.9Very low44.3Very low158 Ų15889.7 Ų89.785%0.84556%0.561SS**  trans-47.6129.3165.5-87.1-38.5000109.6S363D361-S363 VanDerWaalsContact C-N 3.27Å; D361-S363 PolarHBondContact O-N 2.82Å
362P30.7Very low43.4Very low125 Ų12591.1 Ų91.181%0.81257%0.573SS**  trans-74.290.216829.3-28.9000107.5S364P362-S364 PolarHBondContact O-N 3Å; P362-S364 VanDerWaalsContact O-N 3.07Å
363S28.8Very low42.6Very low99 Ų9997 Ų9769%0.69260%0.604SS**  trans-60.3112.1158.359.40000107.3D361 S365D361-S363 VanDerWaalsContact C-N 3.27Å; D361-S363 PolarHBondContact O-N 2.82Å; S363-S365 PolarHBondContact O-N 3.07Å
364S38.9Very low41.9Very low126 Ų126101 Ų10188%0.88163%0.626SS**  trans-48.7104.8170.744.70000110.2P362P362-S364 PolarHBondContact O-N 3Å; P362-S364 VanDerWaalsContact O-N 3.07Å
365S30.3Very low41.6Very low110 Ų110103.2 Ų103.277%0.76964%0.641SS**  trans-121.6134.2166.458.60000108.9S363S363-S365 PolarHBondContact O-N 3.07Å
366A33.5Very low40.6Very low99 Ų99109.2 Ų109.282%0.81867%0.671SS**  trans-45140-163.900000115.1S368A366-S368 PolarHBondContact O-N 3.16Å; A366-S368 VanDerWaalsContact O-N 3.13Å
367S32.7Very low40.4Very low112 Ų112115.6 Ų115.678%0.78370%0.703SS**  trans-52.1116.7167.955.80000110.6K369S367-K369 PolarHBondContact O-N 3.16Å
368S36.6Very low40.7Very low92 Ų92118.3 Ų118.364%0.64371%0.714SS**  trans-69.4118.9168.2173.90000107.7A366 G370A366-S368 PolarHBondContact O-N 3.16Å; A366-S368 VanDerWaalsContact O-N 3.13Å; S368-G370 PolarHBondContact O-N 2.99Å
369K42.6Very low41Very low190 Ų190115 Ų11583%0.82672%0.715SS**THydrogen-bonded Turntrans-6317.5179.2-67.4-179.3173.2-1790114.7S367S367-K369 PolarHBondContact O-N 3.16Å
370G47.1Very low41.3Very low33 Ų33121.3 Ų121.334%0.3474%0.739SS.*THydrogen-bonded Turntrans-93.1-27177.600000114.1S368S368-G370 PolarHBondContact O-N 2.99Å
371D44.3Very low41.9Very low125 Ų125124.7 Ų124.767%0.66875%0.749SS**Hα-helixtrans-78.6-24.7-173.5-71.5-12.2000113.1L373D371-L373 VanDerWaalsContact C-N 3.32Å; D371-L373 PolarHBondContact O-N 2.84Å
372D47.7Very low42.6Very low134 Ų134122.9 Ų122.972%0.71774%0.744SS**Hα-helixtrans-74-18.6177-85.4-18.8000113.6
373L47.3Very low43.3Very low124 Ų124122.8 Ų122.865%0.64974%0.74SS**Hα-helixtrans-84.3-28.5-179.3-101148.4000112.9D371D371-L373 VanDerWaalsContact C-N 3.32Å; D371-L373 PolarHBondContact O-N 2.84Å
374L48.9Very low44.2Very low127 Ų127124.2 Ų124.267%0.66574%0.743SS**Hα-helixtrans-73.5-34.4174.4-95.7134.3000111.9M376 M377L374-M376 PolarHBondContact O-N 2.9Å; L374-M377 PolarHBondContact O-N 2.95Å
375A53.9Low44.5Very low75 Ų75124.1 Ų124.162%0.6273%0.734SS**THydrogen-bonded Turntrans-68.4-17.6176.600000113.8
376M48.3Very low45.4Very low149 Ų149125.1 Ų125.173%0.73473%0.731SS**THydrogen-bonded Turntrans-89.9-10.8177.7-67.6-170.677.400114L374L374-M376 PolarHBondContact O-N 2.9Å
377M51.7Low46.3Very low159 Ų159126.9 Ų126.978%0.78373%0.725SS**THydrogen-bonded Turntrans-95.7-16.8-180-74.3-173.265.500114.2L374 G379L374-M377 PolarHBondContact O-N 2.95Å; M377-G379 VanDerWaalsContact C-N 3.27Å; M377-G379 PolarHBondContact O-N 3.07Å
378D55Low47.3Very low158 Ų158128.1 Ų128.185%0.84572%0.721SS**SBendtrans-88.98.3175.8-76.5-12.5000113.2
379G50.8Low48.2Very low62 Ų62131.1 Ų131.164%0.63973%0.727SS**  trans-118.531-175.400000115.3M377M377-G379 VanDerWaalsContact C-N 3.27Å; M377-G379 PolarHBondContact O-N 3.07Å
380L40.9Very low48.7Very low237 Ų237125.7 Ų125.7100%1.24172%0.718SS**  trans-136.80169.4-85.4171.1000112.5

Retrieved 380 of 380 residues in 906 ms (Link to these results)

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