A0A061I233_CRIGR Loading...

Rab-like protein 3

Required for KRAS signaling regulation and modulation of cell proliferation. Regulator of KRAS prenylation, and probably prenylation of other small GTPases. Required for lymphocyte development and function. Not required for myeloid cell development.

AlphaFold DB (A0A1U7QG45), UniProt , Accession A0A061I233, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rabl3, Length 236 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
1M34.3Very low75.7Confident245 Ų24568.3 Ų68.3100%1.20737%0.37SS*.  0113.60-78.2167140.400106.6S3M1-S3 PolarHBondContact O-N 2.94Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2A39.5Very low77.2Confident101 Ų10162.6 Ų62.684%0.83534%0.339SS*.  trans-63.7112.8176.700000107.9L4A2-L4 PolarHBondContact O-N 2.79Å; A2-L4 VanDerWaalsContact O-N 3.14Å
3S48.9Very low78.4Confident88 Ų8857.8 Ų57.862%0.61531%0.313SS*.  trans-64.6114.7165.654.80000106.4M1 D5M1-S3 PolarHBondContact O-N 2.94Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-D5 VanDerWaalsContact C-N 3.34Å; S3-D5 PolarHBondContact O-N 2.95Å; S3-D5 PolarHBondContact OG-OD1 3.11Å; S3-D5 VanDerWaalsContact OG-OD1 3.13Å
4L67Low79.4Confident106 Ų10654.9 Ų54.956%0.55530%0.298SS*.  trans-67103.3162.8-75.3157.6000105.2A2 R6 Y61A2-L4 PolarHBondContact O-N 2.79Å; A2-L4 VanDerWaalsContact O-N 3.14Å; L4-R6 WeakPolarHBondContact O-CG 3.5Å; L4-R6 PolarHBondContact O-N 3.25Å; L4-Y61 HydrophobicContact CD2-CD2 3.56Å; L4-Y61 HydrophobicContact CD2-CE2 3.17Å
5D79.3Confident80.1Confident29 Ų2957.2 Ų57.216%0.15532%0.319CS..  trans-69.2104.5-179.9-69.9-25.1000108.1S3 K58 Y60 Y208S3-D5 VanDerWaalsContact C-N 3.34Å; S3-D5 PolarHBondContact O-N 2.95Å; S3-D5 PolarHBondContact OG-OD1 3.11Å; S3-D5 VanDerWaalsContact OG-OD1 3.13Å; D5-K58 IonicContact OD2-NZ 3.37Å; D5-K58 PolarHBondContact OD2-NZ 2.94Å; D5-Y60 HydrophobicContact CB-CD1 3.68Å; D5-Y60 HydrophobicContact CB-CE1 3.46Å; D5-Y60 VanDerWaalsContact CB-CE1 3.46Å; D5-Y60 WeakPolarHBondContact O-CD1 3.47Å; D5-Y208 HydrophobicContact CB-CE1 4Å; D5-Y208 HydrophobicContact CB-CE2 4.15Å
6R84.9Confident80.7Confident154 Ų15457.1 Ų57.158%0.58134%0.335SS*.EExtended strand (participates in β ladder)trans-88.2139.2-176.8-66.6-179.4-175.7-157.55.3110.5L4 E63 Y208L4-R6 WeakPolarHBondContact O-CG 3.5Å; L4-R6 PolarHBondContact O-N 3.25Å; R6-E63 WeakPolarHBondContact CD-OE1 3.33Å; R6-E63 IonicContact NH1-OE1 3.75Å; R6-E63 PolarHBondContact NH1-OE1 3Å; R6-Y208 PolarHBondContact N-OH 3.46Å; R6-Y208 PolarHBondContact O-OH 3.42Å
7V94.6Very high81.5Confident0 Ų053.9 Ų53.90%032%0.316CS..EExtended strand (participates in β ladder)trans-121.2127.4174.5176.10000108V9 Y60 Y61 I62 E63 N89 V203 I204 Y208V7-V9 HydrophobicContact CG1-CG2 4.18Å; V7-Y60 HydrophobicContact CG2-CD1 4.31Å; V7-Y61 PolarHBondContact N-O 2.6Å; V7-Y61 VanDerWaalsContact N-O 3.14Å; V7-I62 HydrophobicContact CB-CG1 4.16Å; V7-I62 HydrophobicContact CB-CG2 4.4Å; V7-I62 HydrophobicContact CG1-CG1 4.48Å; V7-I62 HydrophobicContact CG1-CG2 4.2Å; V7-I62 CarbonylContact O-C 3.55Å; V7-I62 WeakPolarHBondContact O-CA 3.48Å; V7-E63 PolarHBondContact O-N 3.29Å; V7-N89 HydrophobicContact CG1-CB 4.15Å; V7-V203 HydrophobicContact CG1-CG1 3.33Å; V7-I204 HydrophobicContact CG2-CG1 3.87Å; V7-Y208 HydrophobicContact CG2-CE2 3.9Å
8K95.2Very high82.2Confident27 Ų2751.9 Ų51.912%0.11731%0.31CS..EExtended strand (participates in β ladder)trans-104.1120178.6178169.4-179.6-179.40111W65 F84 N86 V88 N89 G90K8-W65 HydrophobicContact CG-CG 4.37Å; K8-F84 VanDerWaalsContact CE-O 3.31Å; K8-F84 WeakPolarHBondContact CE-O 3.48Å; K8-F84 PolarHBondContact NZ-O 3.14Å; K8-N86 PolarHBondContact NZ-O 3.47Å; K8-V88 HydrophobicContact CD-CG2 4.44Å; K8-N89 PolarHBondContact N-OD1 3.23Å; K8-N89 WeakPolarHBondContact O-CA 3.47Å; K8-N89 WeakPolarHBondContact O-CB 3.12Å; K8-N89 PolarHBondContact O-N 3.09Å; K8-G90 PolarHBondContact O-N 3.02Å
9V96.8Very high82.9Confident0 Ų049.8 Ų49.80%030%0.296CS..EExtended strand (participates in β ladder)trans-119.2125.6175.1177.80000109.6V7 I62 E63 L64 W65 G90 I92 F199 F200 V203V7-V9 HydrophobicContact CG1-CG2 4.18Å; V9-I62 HydrophobicContact CB-CG2 4.31Å; V9-I62 HydrophobicContact CG2-CG2 3.71Å; V9-E63 PolarHBondContact N-O 3.31Å; V9-L64 HydrophobicContact CB-CD2 3.87Å; V9-L64 HydrophobicContact CG1-CD2 4.09Å; V9-W65 PolarHBondContact O-N 2.58Å; V9-G90 VanDerWaalsContact CA-O 3.28Å; V9-G90 WeakPolarHBondContact CA-O 3.5Å; V9-I92 HydrophobicContact CG1-CD1 3.83Å; V9-I92 HydrophobicContact CG1-CG1 3.71Å; V9-F199 HydrophobicContact CG1-CE1 4.18Å; V9-F199 HydrophobicContact CG1-CZ 4.33Å; V9-F200 HydrophobicContact CG2-CE1 4.46Å; V9-V203 HydrophobicContact CG2-CG1 4.3Å
10L95.9Very high83.4Confident0 Ų048.9 Ų48.90%029%0.292CS..EExtended strand (participates in β ladder)trans-82.2143.4173.1-64.8-178.6000110.8L12 W65 V67 Y85 V88 G90 I91 I92 V113L10-L12 HydrophobicContact CB-CD1 4.35Å; L10-L12 HydrophobicContact CB-CD2 4.28Å; L10-L12 HydrophobicContact CB-CG 4.08Å; L10-L12 HydrophobicContact CD1-CD1 4.23Å; L10-L12 HydrophobicContact CD1-CD2 4.47Å; L10-W65 HydrophobicContact CD2-CB 3.83Å; L10-W65 HydrophobicContact CD2-CG 4.43Å; L10-V67 HydrophobicContact CD2-CG2 4.24Å; L10-Y85 HydrophobicContact CD1-CD1 3.38Å; L10-Y85 HydrophobicContact CD1-CE1 4.03Å; L10-Y85 HydrophobicContact CD1-CG 4.02Å; L10-Y85 HydrophobicContact CD2-CD1 4.18Å; L10-Y85 HydrophobicContact CG-CD1 4.43Å; L10-V88 HydrophobicContact CD1-CB 4.43Å; L10-V88 HydrophobicContact CD1-CG1 4.11Å; L10-V88 HydrophobicContact CD1-CG2 3.56Å; L10-V88 HydrophobicContact CD2-CG2 3.94Å; L10-V88 HydrophobicContact CG-CB 4.38Å; L10-V88 HydrophobicContact CG-CG1 3.88Å; L10-V88 HydrophobicContact CG-CG2 3.51Å; L10-G90 PolarHBondContact N-O 3.05Å; L10-I91 HydrophobicContact CB-CG1 4.48Å; L10-I91 HydrophobicContact CB-CG2 4.5Å; L10-I92 PolarHBondContact O-N 3.13Å; L10-V113 HydrophobicContact CD1-CG1 4.08Å; L10-V113 HydrophobicContact CD1-CG2 3.87Å
11V96.4Very high84Confident1 Ų147.5 Ų47.51%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-116.3110.9170-173.20000108.1K19 V23 L64 W65 V67 I92 V94V11-K19 HydrophobicContact CG1-CB 4.11Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.22Å; V11-V23 HydrophobicContact CB-CG2 4.24Å; V11-V23 HydrophobicContact CG1-CG2 4.19Å; V11-V23 HydrophobicContact CG2-CG2 3.8Å; V11-L64 HydrophobicContact CG2-CB 4.31Å; V11-W65 PolarHBondContact N-O 3.15Å; V11-V67 PolarHBondContact O-N 3.1Å; V11-I92 WeakPolarHBondContact CA-O 3.34Å; V11-I92 HydrophobicContact CG2-CB 4.42Å; V11-I92 HydrophobicContact CG2-CD1 4.48Å; V11-V94 HydrophobicContact CG1-CG2 3.57Å
12L94.2Very high86.9Confident0 Ų035.9 Ų35.90%023%0.228CC..EExtended strand (participates in β ladder)trans-123.3150.4-170.6-55.6175.2000111.2L10 V67 Y85 I91 I92 L93 V94 W109 V113L10-L12 HydrophobicContact CB-CD1 4.35Å; L10-L12 HydrophobicContact CB-CD2 4.28Å; L10-L12 HydrophobicContact CB-CG 4.08Å; L10-L12 HydrophobicContact CD1-CD1 4.23Å; L10-L12 HydrophobicContact CD1-CD2 4.47Å; L12-V67 HydrophobicContact CD2-CB 3.98Å; L12-V67 HydrophobicContact CD2-CG2 4.18Å; L12-Y85 HydrophobicContact CD2-CE1 3.76Å; L12-I91 HydrophobicContact CD1-CG2 3.81Å; L12-I91 HydrophobicContact CG-CG2 4.35Å; L12-I92 PolarHBondContact N-O 3.46Å; L12-L93 HydrophobicContact CB-CD2 4.22Å; L12-L93 HydrophobicContact CD1-CD2 4.49Å; L12-V94 PolarHBondContact O-N 2.96Å; L12-W109 HydrophobicContact CB-CB 4.27Å; L12-W109 HydrophobicContact CB-CD2 4.33Å; L12-W109 HydrophobicContact CB-CE3 4.16Å; L12-W109 HydrophobicContact CB-CG 4.41Å; L12-W109 HydrophobicContact CD2-CE3 4.19Å; L12-W109 HydrophobicContact CD2-CZ3 4.34Å; L12-V113 HydrophobicContact CD1-CG2 3.44Å; L12-V113 VanDerWaalsContact CD1-CG2 3.44Å
13G92.9Very high89.6Confident0 Ų031.5 Ų31.50%019%0.19CC..  trans153.5166.6-176.400000111.2K19 V94 W109G13-K19 PolarHBondContact O-NZ 2.72Å; G13-V94 WeakPolarHBondContact CA-O 3.43Å; G13-W109 VanDerWaalsContact O-CZ2 3.3Å; G13-W109 WeakPolarHBondContact O-CZ2 3.48Å
14D91.3Very high91.7Very high18 Ų1829.3 Ų29.310%0.09617%0.171CC..  trans-63.3161.4-177.3-73.6-11000112.8V17 K19 N105 W109D14-V17 HydrophobicContact CB-CG1 3.81Å; D14-V17 WeakPolarHBondContact O-CG2 3.45Å; D14-K19 PolarHBondContact O-NZ 2.75Å; D14-N105 PolarHBondContact OD2-ND2 3.37Å; D14-W109 PolarHBondContact OD1-NE1 2.96Å
15S90.1Very high93Very high89 Ų8924.3 Ų24.362%0.62214%0.144SC*.THydrogen-bonded Turntrans-62.1140.3171.4-169.60000110.7V17S15-V17 VanDerWaalsContact C-N 3.31Å; S15-V17 PolarHBondContact O-N 3.08Å
16G90Very high93.6Very high56 Ų5623.1 Ų23.158%0.57714%0.138SC*.THydrogen-bonded Turntrans800.2177.300000116.3G18 K148G16-G18 PolarHBondContact O-N 3.4Å; G16-K148 PolarHBondContact O-NZ 2.94Å; G16-K148 VanDerWaalsContact O-NZ 3.13Å
17V94.6Very high94Very high2 Ų216.9 Ų16.91%0.01212%0.118CC..SBendtrans-77.5-2.2174.9-53.10000113.6D14 S15 K19 V94 D96 T147D14-V17 HydrophobicContact CB-CG1 3.81Å; D14-V17 WeakPolarHBondContact O-CG2 3.45Å; S15-V17 VanDerWaalsContact C-N 3.31Å; S15-V17 PolarHBondContact O-N 3.08Å; V17-K19 HydrophobicContact CG2-CG 3.77Å; V17-V94 HydrophobicContact CG2-CB 4.17Å; V17-V94 HydrophobicContact CG2-CG1 3.89Å; V17-D96 HydrophobicContact CB-CB 4.13Å; V17-D96 HydrophobicContact CG1-CB 4.03Å; V17-T147 WeakPolarHBondContact O-CB 3.46Å; V17-T147 WeakPolarHBondContact O-CG2 3.43Å; V17-T147 PolarHBondContact O-OG1 2.9Å
18G93.8Very high93.9Very high19 Ų1921.1 Ų21.120%0.19614%0.137CC..SBendtrans91.321.3175.800000116.5G16 S20 S21 L22G16-G18 PolarHBondContact O-N 3.4Å; G18-S20 PolarHBondContact O-N 3.22Å; G18-S21 PolarHBondContact O-N 2.63Å; G18-L22 WeakPolarHBondContact O-CB 3.47Å; G18-L22 PolarHBondContact O-N 3.35Å
19K95Very high93.5Very high11 Ų1125 Ų255%0.04816%0.16CC..Hα-helixtrans-53.1-51.7176.3-62-171.1-61.8-75.40113.3V11 G13 D14 V17 S21 L22 V23 D66 V67 V94V11-K19 HydrophobicContact CG1-CB 4.11Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.22Å; G13-K19 PolarHBondContact O-NZ 2.72Å; D14-K19 PolarHBondContact O-NZ 2.75Å; V17-K19 HydrophobicContact CG2-CG 3.77Å; K19-S21 VanDerWaalsContact C-N 3.34Å; K19-S21 PolarHBondContact O-N 2.92Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 2.78Å; K19-V23 WeakPolarHBondContact O-CG2 3.45Å; K19-V23 PolarHBondContact O-N 3.49Å; K19-D66 VanDerWaalsContact CB-OD1 3.3Å; K19-D66 WeakPolarHBondContact CB-OD1 3.5Å; K19-D66 WeakPolarHBondContact CE-OD1 3.17Å; K19-V67 WeakPolarHBondContact CE-O 3.44Å; K19-V94 HydrophobicContact CG-CB 4.04Å; K19-V94 HydrophobicContact CG-CG1 4.35Å; K19-V94 HydrophobicContact CG-CG2 4.21Å
20S94.1Very high93.2Very high32 Ų3231 Ų3122%0.22419%0.187CC..Hα-helixtrans-65.5-38.2-177.8-38.20000111.9G18 V23 H24 T38 D66G18-S20 PolarHBondContact O-N 3.22Å; S20-V23 PolarHBondContact O-N 2.91Å; S20-H24 WeakPolarHBondContact O-CB 3.34Å; S20-H24 PolarHBondContact O-N 3.39Å; S20-T38 PolarHBondContact OG-OG1 3.1Å; S20-T38 VanDerWaalsContact OG-OG1 3.05Å; S20-D66 WeakPolarHBondContact CB-OD2 3.37Å; S20-D66 PolarHBondContact OG-OD2 3.17Å
21S94.8Very high92.9Very high20 Ų2033.5 Ų33.514%0.1420%0.203CC..Hα-helixtrans-64.7-39.6173.6-55.20000112.2G18 K19 L25G18-S21 PolarHBondContact O-N 2.63Å; K19-S21 VanDerWaalsContact C-N 3.34Å; K19-S21 PolarHBondContact O-N 2.92Å; S21-L25 WeakPolarHBondContact O-CB 3.49Å; S21-L25 PolarHBondContact O-N 3.42Å
22L95.4Very high92.5Very high0 Ų035.5 Ų35.50%021%0.213CC..Hα-helixtrans-63.8-49.9174.6172.969.1000111.2G18 K19 H24 L25 L26 I92 V94 I145 L178G18-L22 WeakPolarHBondContact O-CB 3.47Å; G18-L22 PolarHBondContact O-N 3.35Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 2.78Å; L22-H24 VanDerWaalsContact C-N 3.34Å; L22-H24 PolarHBondContact O-N 3.12Å; L22-L25 WeakPolarHBondContact O-CB 3.4Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-L26 HydrophobicContact CD1-CD1 3.99Å; L22-L26 HydrophobicContact CD1-CD2 4.48Å; L22-L26 HydrophobicContact CD1-CG 4.05Å; L22-L26 HydrophobicContact CG-CD1 3.97Å; L22-L26 HydrophobicContact CG-CG 4.35Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.42Å; L22-L26 PolarHBondContact O-N 3.46Å; L22-I92 HydrophobicContact CD2-CG2 4.38Å; L22-V94 HydrophobicContact CD2-CG1 4.25Å; L22-V94 HydrophobicContact CD2-CG2 3.62Å; L22-I145 HydrophobicContact CD1-CD1 4.15Å; L22-I145 HydrophobicContact CD1-CG2 4.21Å; L22-I145 HydrophobicContact CD2-CB 4.32Å; L22-I145 HydrophobicContact CD2-CD1 3.87Å; L22-I145 HydrophobicContact CD2-CG2 4.03Å; L22-L178 HydrophobicContact CD1-CD1 4.26Å; L22-L178 HydrophobicContact CD1-CD2 4.12Å
23V95.7Very high91.8Very high9 Ų938.4 Ų38.46%0.05524%0.243CC..Hα-helixtrans-58-48.6179.4168.80000110.7V11 K19 S20 L25 L26 C27 D44 L64 D66V11-V23 HydrophobicContact CB-CG2 4.24Å; V11-V23 HydrophobicContact CG1-CG2 4.19Å; V11-V23 HydrophobicContact CG2-CG2 3.8Å; K19-V23 WeakPolarHBondContact O-CG2 3.45Å; K19-V23 PolarHBondContact O-N 3.49Å; S20-V23 PolarHBondContact O-N 2.91Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.78Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-L26 VanDerWaalsContact O-N 3.09Å; V23-C27 PolarHBondContact O-N 3Å; V23-C27 PolarHBondContact O-SG 2.96Å; V23-C27 VanDerWaalsContact O-SG 3.35Å; V23-D44 HydrophobicContact CG1-CB 3.59Å; V23-L64 HydrophobicContact CG1-CB 4.05Å; V23-L64 HydrophobicContact CG1-CD1 4.3Å; V23-L64 HydrophobicContact CG2-CB 4.24Å; V23-L64 HydrophobicContact CG2-CD1 4.42Å; V23-D66 HydrophobicContact CG2-CB 4.33Å
24H94.3Very high91.3Very high43 Ų4345.8 Ų45.820%0.19928%0.283CS..Hα-helixtrans-58.7-42.1177-172.4-79.1000112.2S20 L22 H28 Q30 L32S20-H24 WeakPolarHBondContact O-CB 3.34Å; S20-H24 PolarHBondContact O-N 3.39Å; L22-H24 VanDerWaalsContact C-N 3.34Å; L22-H24 PolarHBondContact O-N 3.12Å; H24-H28 AromaticContact CD2-CD2 3.51Å; H24-H28 AromaticContact CE1-CD2 3.96Å; H24-H28 AromaticContact CG-CD2 3.88Å; H24-H28 AromaticContact NE2-CD2 3.61Å; H24-H28 WeakPolarHBondContact O-CB 3.31Å; H24-H28 PolarHBondContact O-N 2.9Å; H24-Q30 PolarHBondContact ND1-O 3.25Å; H24-L32 HydrophobicContact CB-CB 3.96Å; H24-L32 HydrophobicContact CB-CD2 4.38Å
25L93.3Very high90.7Very high0 Ų048.6 Ų48.60%030%0.302CS..Hα-helixtrans-62.3-43.1175.3179.364.7000111.6S21 L22 V23 N29 Q30 S186S21-L25 WeakPolarHBondContact O-CB 3.49Å; S21-L25 PolarHBondContact O-N 3.42Å; L22-L25 WeakPolarHBondContact O-CB 3.4Å; L22-L25 PolarHBondContact O-N 2.87Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.78Å; L25-N29 VanDerWaalsContact O-CA 3.24Å; L25-N29 WeakPolarHBondContact O-CA 3.49Å; L25-N29 PolarHBondContact O-N 3.4Å; L25-Q30 WeakPolarHBondContact CA-O 3.34Å; L25-S186 WeakPolarHBondContact CD1-OG 3.42Å; L25-S186 WeakPolarHBondContact CG-OG 3.45Å
26L93.6Very high90.3Very high4 Ų449.1 Ų49.12%0.02131%0.306CS..Hα-helixtrans-71.3-29-177.8-68.4178.7000113.9L22 V23 R46 L64 L196L22-L26 HydrophobicContact CD1-CD1 3.99Å; L22-L26 HydrophobicContact CD1-CD2 4.48Å; L22-L26 HydrophobicContact CD1-CG 4.05Å; L22-L26 HydrophobicContact CG-CD1 3.97Å; L22-L26 HydrophobicContact CG-CG 4.35Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.42Å; L22-L26 PolarHBondContact O-N 3.46Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-L26 VanDerWaalsContact O-N 3.09Å; L26-R46 PolarHBondContact O-NH1 3.14Å; L26-L64 HydrophobicContact CB-CD1 3.98Å; L26-L64 HydrophobicContact CD1-CD1 4.05Å; L26-L196 HydrophobicContact CD2-CD1 3.48Å; L26-L196 VanDerWaalsContact CD2-CD1 3.48Å; L26-L196 HydrophobicContact CD2-CD2 3.98Å; L26-L196 HydrophobicContact CD2-CG 4.37Å
27C93.3Very high89.8Confident24 Ų2457.7 Ų57.716%0.16232%0.321CS..Hα-helixtrans-93.3-36-178.2-63.70000112.8V23 D44V23-C27 PolarHBondContact O-N 3Å; V23-C27 PolarHBondContact O-SG 2.96Å; V23-C27 VanDerWaalsContact O-SG 3.35Å; C27-D44 WeakPolarHBondContact CB-OD2 3.27Å; C27-D44 VanDerWaalsContact SG-CG 3.57Å; C27-D44 PolarHBondContact SG-OD2 3.3Å
28H91.8Very high89Confident88 Ų8859.7 Ų59.741%0.40733%0.333SS..Hα-helixtrans-114.6-4.1-171.8-54.8-44.9000114.1H24 Q30 D44H24-H28 AromaticContact CD2-CD2 3.51Å; H24-H28 AromaticContact CE1-CD2 3.96Å; H24-H28 AromaticContact CG-CD2 3.88Å; H24-H28 AromaticContact NE2-CD2 3.61Å; H24-H28 WeakPolarHBondContact O-CB 3.31Å; H24-H28 PolarHBondContact O-N 2.9Å; H28-Q30 HydrophobicContact CB-CB 4.35Å; H28-Q30 WeakPolarHBondContact O-CG 3.44Å; H28-Q30 PolarHBondContact O-N 2.8Å; H28-Q30 VanDerWaalsContact O-N 3.13Å; H28-D44 IonicContact CD2-OD2 2.74Å; H28-D44 IonicContact CE1-OD1 3.65Å; H28-D44 IonicContact CE1-OD2 3.82Å; H28-D44 IonicContact NE2-OD1 3.17Å; H28-D44 IonicContact NE2-OD2 2.6Å; H28-D44 PolarHBondContact NE2-OD2 2.68Å; H28-D44 VanDerWaalsContact NE2-OD2 3.17Å
29N87.5Confident88.3Confident110 Ų11065.4 Ų65.459%0.58836%0.364SS*.SBendtrans52.331.1-173-67-24.8000112.8L25L25-N29 VanDerWaalsContact O-CA 3.24Å; L25-N29 WeakPolarHBondContact O-CA 3.49Å; L25-N29 PolarHBondContact O-N 3.4Å
30Q88.8Confident87.5Confident124 Ų12466.9 Ų66.958%0.57938%0.382SS*.SBendtrans-133.9148.6-176.8-72.9177.922.500110.8H24 L25 H28H24-Q30 PolarHBondContact ND1-O 3.25Å; L25-Q30 WeakPolarHBondContact CA-O 3.34Å; H28-Q30 HydrophobicContact CB-CB 4.35Å; H28-Q30 WeakPolarHBondContact O-CG 3.44Å; H28-Q30 PolarHBondContact O-N 2.8Å; H28-Q30 VanDerWaalsContact O-N 3.13Å
31V89.7Confident87.1Confident54 Ų5467 Ų6733%0.32738%0.382SS..  trans-75.9132.6176.4178.90000109.5G33 T181 P183V31-G33 PolarHBondContact O-N 3.15Å; V31-T181 WeakPolarHBondContact CG2-O 3.49Å; V31-P183 HydrophobicContact CG2-CB 4.43Å; V31-P183 HydrophobicContact CG2-CG 4.48Å
32L88.9Confident86.9Confident43 Ų4369 Ų6923%0.22540%0.397CS..  trans-76.1108173.3-17860.1000109.9H24 P35H24-L32 HydrophobicContact CB-CB 3.96Å; H24-L32 HydrophobicContact CB-CD2 4.38Å; L32-P35 HydrophobicContact CD2-CB 3.82Å; L32-P35 HydrophobicContact CG-CB 4.26Å
33G80.3Confident86.8Confident61 Ų6172 Ų7263%0.62941%0.414SS*.SBendtrans-69-45.7-175.100000114.6V31 P35V31-G33 PolarHBondContact O-N 3.15Å; G33-P35 WeakPolarHBondContact O-CD 3.24Å
34N80.8Confident86.8Confident155 Ų15573.3 Ų73.383%0.82942%0.421SS*.SBendtrans-124.774.6-174.2-67.1-13.5000111.2S36N34-S36 PolarHBondContact O-N 3.09Å
35P79.9Confident86.8Confident77 Ų7775.2 Ų75.250%0.543%0.432SS..PPolyproline II helixtrans-67.7119.9178.826.7-32.2000111L32 G33L32-P35 HydrophobicContact CD2-CB 3.82Å; L32-P35 HydrophobicContact CG-CB 4.26Å; G33-P35 WeakPolarHBondContact O-CD 3.24Å
36S80.6Confident86.8Confident100 Ų10076.8 Ų76.870%0.69944%0.438SS*.PPolyproline II helixtrans-90167.7169.760.70000111.5N34 T38N34-S36 PolarHBondContact O-N 3.09Å; S36-T38 PolarHBondContact O-N 3.02Å
37W79.6Confident86.8Confident235 Ų23580.7 Ų80.789%0.8946%0.462SS*.PPolyproline II helixtrans-65.5131172.6-64-7.4000111V39W37-V39 PolarHBondContact O-N 3.44Å
38T78.9Confident86.9Confident45 Ų4580 Ų8028%0.27646%0.456SS..PPolyproline II helixtrans-73.8117174.7-45.50000110S20 S36 D66S20-T38 PolarHBondContact OG-OG1 3.1Å; S20-T38 VanDerWaalsContact OG-OG1 3.05Å; S36-T38 PolarHBondContact O-N 3.02Å; T38-D66 PolarHBondContact OG1-OD2 2.92Å
39V77.6Confident86.9Confident138 Ų13878.1 Ų78.184%0.83645%0.449SS*.  trans-93.4112.9173.3-178.60000108.7W37 C41W37-V39 PolarHBondContact O-N 3.44Å; V39-C41 PolarHBondContact O-N 3.22Å
40G78.3Confident87.2Confident42 Ų4273.3 Ų73.343%0.43342%0.423SS..SBendtrans75.7-106.5179.500000112.6G68G40-G68 WeakPolarHBondContact O-CA 3.28Å; G40-G68 PolarHBondContact O-N 2.81Å
41C86.1Confident87.2Confident34 Ų3470.7 Ų70.723%0.2341%0.41CS..EExtended strand (participates in β ladder)trans-140.9137.1-179.2-177.90000110.7V39 W65 D66 F84V39-C41 PolarHBondContact O-N 3.22Å; C41-W65 VanDerWaalsContact SG-CE3 3.54Å; C41-D66 WeakPolarHBondContact CA-O 3.49Å; C41-D66 PolarHBondContact SG-O 3.44Å; C41-D66 VanDerWaalsContact SG-O 3.42Å; C41-F84 HydrophobicContact CB-CD1 3.99Å; C41-F84 HydrophobicContact CB-CD2 4.16Å; C41-F84 HydrophobicContact CB-CE1 3.89Å; C41-F84 HydrophobicContact CB-CE2 4.07Å; C41-F84 HydrophobicContact CB-CG 4.13Å; C41-F84 HydrophobicContact CB-CZ 3.93Å
42S90.4Very high87Confident63 Ų6374.9 Ų74.944%0.44143%0.426SS..EExtended strand (participates in β ladder)trans-113.6144.8171.2-1730000109.4W65 D66S42-W65 CarbonylContact O-C 3.6Å; S42-D66 PolarHBondContact N-O 3Å; S42-D66 PolarHBondContact O-N 3.18Å
43V93.5Very high86.9Confident62 Ų6276.3 Ų76.338%0.37645%0.451SS..EExtended strand (participates in β ladder)trans-124.3132.9177.3-175.10000108.7E63 L64 W65V43-E63 HydrophobicContact CG1-CB 4.03Å; V43-L64 WeakPolarHBondContact CA-O 3.3Å; V43-W65 HydrophobicContact CG1-CG 4.48Å; V43-W65 HydrophobicContact CG2-CD2 3.45Å; V43-W65 VanDerWaalsContact CG2-CD2 3.45Å; V43-W65 HydrophobicContact CG2-CE3 3.6Å; V43-W65 HydrophobicContact CG2-CG 3.92Å; V43-W65 HydrophobicContact CG2-CH2 4.04Å; V43-W65 HydrophobicContact CG2-CZ2 3.95Å; V43-W65 HydrophobicContact CG2-CZ3 3.87Å
44D94.9Very high87.4Confident37 Ų3776.1 Ų76.120%0.19844%0.438CS..EExtended strand (participates in β ladder)trans-130.3156.5171.9-161.23.2000109.6V23 C27 H28 L64V23-D44 HydrophobicContact CG1-CB 3.59Å; C27-D44 WeakPolarHBondContact CB-OD2 3.27Å; C27-D44 VanDerWaalsContact SG-CG 3.57Å; C27-D44 PolarHBondContact SG-OD2 3.3Å; H28-D44 IonicContact CD2-OD2 2.74Å; H28-D44 IonicContact CE1-OD1 3.65Å; H28-D44 IonicContact CE1-OD2 3.82Å; H28-D44 IonicContact NE2-OD1 3.17Å; H28-D44 IonicContact NE2-OD2 2.6Å; H28-D44 PolarHBondContact NE2-OD2 2.68Å; H28-D44 VanDerWaalsContact NE2-OD2 3.17Å; D44-L64 PolarHBondContact N-O 3.3Å; D44-L64 VanDerWaalsContact N-O 3.1Å; D44-L64 PolarHBondContact O-N 3.07Å
45I95Very high87.8Confident83 Ų8375.6 Ų75.643%0.42644%0.442SS..EExtended strand (participates in β ladder)trans-114.5118.6-172-59.2175.5000109.6Y61 I62I45-Y61 HydrophobicContact CG2-CD1 3.87Å; I45-Y61 HydrophobicContact CG2-CG 4.45Å; I45-I62 WeakPolarHBondContact CA-O 3.27Å
46R94.1Very high88.1Confident33 Ų3377.7 Ų77.713%0.12545%0.445CS..EExtended strand (participates in β ladder)trans-92.1124.5167-179.9178175.2123.5-9.3109.4L26 I62 F200L26-R46 PolarHBondContact O-NH1 3.14Å; R46-I62 HydrophobicContact CB-CB 4.4Å; R46-I62 PolarHBondContact N-O 3.29Å; R46-I62 PolarHBondContact O-N 2.87Å; R46-F200 VanDerWaalsContact NE-CE2 3.33Å
47V93.8Very high88.7Confident86 Ų8677.5 Ų77.552%0.52143%0.434SS..EExtended strand (participates in β ladder)trans-80122.2166.4-1760000107.3T59 Y61V47-T59 HydrophobicContact CG1-CG2 3.39Å; V47-Y61 HydrophobicContact CG2-CD1 4.23Å; V47-Y61 HydrophobicContact CG2-CE1 4.1Å
48H94.1Very high89.2Confident9 Ų970.5 Ų70.54%0.04241%0.41CS..EExtended strand (participates in β ladder)trans-130.7126.9-176.7-179.277.3000110.6Y60 I62 F200 D201H48-Y60 PolarHBondContact N-O 2.82Å; H48-Y60 PolarHBondContact O-N 3.07Å; H48-I62 HydrophobicContact CB-CD1 3.52Å; H48-I62 HydrophobicContact CB-CG1 4.01Å; H48-F200 AromaticContact ND1-CD2 3.91Å; H48-D201 IonicContact CD2-OD1 3.44Å; H48-D201 IonicContact CE1-OD1 3.8Å; H48-D201 IonicContact NE2-OD1 3.74Å; H48-D201 PolarHBondContact NE2-OD1 3.4Å
49D93.1Very high89.8Confident50 Ų5071.5 Ų71.527%0.26742%0.415SS..EExtended strand (participates in β ladder)trans-90.4106.4176.3-61.5-47.2000109.4E52 E57 T59D49-E52 HydrophobicContact CB-CB 4.35Å; D49-E52 HydrophobicContact CB-CG 4.48Å; D49-E57 HydrophobicContact CB-CG 4.32Å; D49-T59 WeakPolarHBondContact OD1-CB 3.36Å; D49-T59 WeakPolarHBondContact OD1-CG2 3.39Å; D49-T59 PolarHBondContact OD1-OG1 3.16Å
50Y92.8Very high90.6Very high9 Ų965 Ų654%0.03538%0.376CS..EExtended strand (participates in β ladder)trans-66.5132176.1175-111.7000109.9E52 E57 K58 Y60 D201 I204 E205 F209Y50-E52 VanDerWaalsContact C-N 3.26Å; Y50-E52 PolarHBondContact O-N 3.28Å; Y50-E57 VanDerWaalsContact O-CA 3.27Å; Y50-E57 WeakPolarHBondContact O-CA 3Å; Y50-K58 VanDerWaalsContact CB-O 3.3Å; Y50-K58 WeakPolarHBondContact CB-O 3.14Å; Y50-K58 PolarHBondContact N-O 3.44Å; Y50-K58 PolarHBondContact O-N 3Å; Y50-Y60 HydrophobicContact CD1-CE2 4.34Å; Y50-Y60 HydrophobicContact CG-CE2 4.11Å; Y50-D201 HydrophobicContact CD2-CB 3.98Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.49Å; Y50-D201 HydrophobicContact CE2-CB 3.94Å; Y50-I204 HydrophobicContact CD2-CB 4.17Å; Y50-I204 HydrophobicContact CD2-CD1 4.22Å; Y50-I204 HydrophobicContact CD2-CG2 3.82Å; Y50-I204 HydrophobicContact CE2-CB 4.49Å; Y50-I204 HydrophobicContact CE2-CG2 4.13Å; Y50-I204 HydrophobicContact CG-CG2 4.1Å; Y50-E205 HydrophobicContact CE2-CG 3.84Å; Y50-E205 VanDerWaalsContact OH-CG 3.23Å; Y50-E205 WeakPolarHBondContact OH-CG 3.12Å; Y50-E205 PolarHBondContact OH-OE1 2.85Å; Y50-F209 HydrophobicContact CE1-CE2 4.19Å; Y50-F209 HydrophobicContact CE1-CZ 4.19Å
51K88.7Confident91.3Very high69 Ų6967.6 Ų67.630%0.337%0.373SS..THydrogen-bonded Turntrans48.647.2-177-66.1-176.3170.8176.20113G53 T54 E56K51-G53 PolarHBondContact O-N 2.87Å; K51-T54 HydrophobicContact CB-CG2 4.22Å; K51-T54 VanDerWaalsContact CB-OG1 3.3Å; K51-T54 WeakPolarHBondContact CB-OG1 3.23Å; K51-T54 WeakPolarHBondContact O-CB 3.33Å; K51-T54 WeakPolarHBondContact O-CG2 3.33Å; K51-T54 PolarHBondContact O-N 3.19Å; K51-T54 VanDerWaalsContact O-N 3.11Å; K51-T54 PolarHBondContact O-OG1 3.32Å; K51-E56 HydrophobicContact CD-CB 4.1Å; K51-E56 WeakPolarHBondContact CD-OE2 3.46Å; K51-E56 IonicContact NZ-OE2 2.63Å; K51-E56 PolarHBondContact NZ-OE2 2.87Å
52E86.5Confident91.8Very high142 Ų14266 Ų6666%0.66436%0.362SS*.THydrogen-bonded Turntrans-44.8130.9175.6-171.2-176.1178.800111.7D49 Y50D49-E52 HydrophobicContact CB-CB 4.35Å; D49-E52 HydrophobicContact CB-CG 4.48Å; Y50-E52 VanDerWaalsContact C-N 3.26Å; Y50-E52 PolarHBondContact O-N 3.28Å
53G86.3Confident92.1Very high73 Ų7364.4 Ų64.475%0.75335%0.348SS*.THydrogen-bonded Turntrans80.99.317900000115.1K51 E57K51-G53 PolarHBondContact O-N 2.87Å; G53-E57 PolarHBondContact N-OE2 3.31Å
54T90.3Very high92.2Very high57 Ų5761.4 Ų61.435%0.3533%0.33SS..SBendtrans-113.2162.8175.377.80000112.1K51 E56 E57K51-T54 HydrophobicContact CB-CG2 4.22Å; K51-T54 VanDerWaalsContact CB-OG1 3.3Å; K51-T54 WeakPolarHBondContact CB-OG1 3.23Å; K51-T54 WeakPolarHBondContact O-CB 3.33Å; K51-T54 WeakPolarHBondContact O-CG2 3.33Å; K51-T54 PolarHBondContact O-N 3.19Å; K51-T54 VanDerWaalsContact O-N 3.11Å; K51-T54 PolarHBondContact O-OG1 3.32Å; T54-E56 PolarHBondContact O-N 3.33Å; T54-E56 VanDerWaalsContact O-N 3.11Å; T54-E56 PolarHBondContact OG1-N 3.08Å; T54-E57 VanDerWaalsContact O-CB 3.27Å; T54-E57 WeakPolarHBondContact O-CB 3.35Å; T54-E57 PolarHBondContact O-N 3.11Å; T54-E57 VanDerWaalsContact O-N 3.08Å
55P89.3Confident92.3Very high143 Ų14362.1 Ų62.193%0.92933%0.33SS*.THydrogen-bonded Turntrans-62.4-15.6174.1-23.134.7000114.8E57P55-E57 VanDerWaalsContact C-N 3.33Å
56E87.4Confident92.1Very high121 Ų12158.4 Ų58.457%0.56531%0.311SS*.THydrogen-bonded Turntrans-95.110.2178.3-62.9178.6-170.200112.3K51 T54 K58K51-E56 HydrophobicContact CD-CB 4.1Å; K51-E56 WeakPolarHBondContact CD-OE2 3.46Å; K51-E56 IonicContact NZ-OE2 2.63Å; K51-E56 PolarHBondContact NZ-OE2 2.87Å; T54-E56 PolarHBondContact O-N 3.33Å; T54-E56 VanDerWaalsContact O-N 3.11Å; T54-E56 PolarHBondContact OG1-N 3.08Å; E56-K58 PolarHBondContact O-N 2.67Å
57E91.4Very high91.7Very high96 Ų9656.8 Ų56.845%0.44931%0.305SS..  trans-56.1128.4-179.6-174.9178.7133.700111.4D49 Y50 G53 T54 P55D49-E57 HydrophobicContact CB-CG 4.32Å; Y50-E57 VanDerWaalsContact O-CA 3.27Å; Y50-E57 WeakPolarHBondContact O-CA 3Å; G53-E57 PolarHBondContact N-OE2 3.31Å; T54-E57 VanDerWaalsContact O-CB 3.27Å; T54-E57 WeakPolarHBondContact O-CB 3.35Å; T54-E57 PolarHBondContact O-N 3.11Å; T54-E57 VanDerWaalsContact O-N 3.08Å; P55-E57 VanDerWaalsContact C-N 3.33Å
58K91.2Very high90.9Very high89 Ų8953.2 Ų53.239%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-146.6129.4177.6-175.8176.1170.7-166.20111.1D5 Y50 E56 Y60D5-K58 IonicContact OD2-NZ 3.37Å; D5-K58 PolarHBondContact OD2-NZ 2.94Å; Y50-K58 VanDerWaalsContact CB-O 3.3Å; Y50-K58 WeakPolarHBondContact CB-O 3.14Å; Y50-K58 PolarHBondContact N-O 3.44Å; Y50-K58 PolarHBondContact O-N 3Å; E56-K58 PolarHBondContact O-N 2.67Å; K58-Y60 HydrophobicContact CB-CE2 3.91Å; K58-Y60 HydrophobicContact CD-CE2 3.86Å; K58-Y60 HydrophobicContact CG-CD2 4.36Å; K58-Y60 HydrophobicContact CG-CE2 3.81Å; K58-Y60 PolarHBondContact NZ-OH 3.2Å; K58-Y60 VanDerWaalsContact O-CD2 3.24Å; K58-Y60 WeakPolarHBondContact O-CD2 3.17Å
59T91.8Very high89.8Confident65 Ų6554.2 Ų54.240%0.39930%0.298SS..EExtended strand (participates in β ladder)trans-76.3128.4176.3-490000111.5V47 D49V47-T59 HydrophobicContact CG1-CG2 3.39Å; D49-T59 WeakPolarHBondContact OD1-CB 3.36Å; D49-T59 WeakPolarHBondContact OD1-CG2 3.39Å; D49-T59 PolarHBondContact OD1-OG1 3.16Å
60Y93.6Very high88.4Confident3 Ų354.5 Ų54.51%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-117.6149.1173.3-72.7-95.9000110.8D5 V7 H48 Y50 K58 I204 Y208D5-Y60 HydrophobicContact CB-CD1 3.68Å; D5-Y60 HydrophobicContact CB-CE1 3.46Å; D5-Y60 VanDerWaalsContact CB-CE1 3.46Å; D5-Y60 WeakPolarHBondContact O-CD1 3.47Å; V7-Y60 HydrophobicContact CG2-CD1 4.31Å; H48-Y60 PolarHBondContact N-O 2.82Å; H48-Y60 PolarHBondContact O-N 3.07Å; Y50-Y60 HydrophobicContact CD1-CE2 4.34Å; Y50-Y60 HydrophobicContact CG-CE2 4.11Å; K58-Y60 HydrophobicContact CB-CE2 3.91Å; K58-Y60 HydrophobicContact CD-CE2 3.86Å; K58-Y60 HydrophobicContact CG-CD2 4.36Å; K58-Y60 HydrophobicContact CG-CE2 3.81Å; K58-Y60 PolarHBondContact NZ-OH 3.2Å; K58-Y60 VanDerWaalsContact O-CD2 3.24Å; K58-Y60 WeakPolarHBondContact O-CD2 3.17Å; Y60-I204 HydrophobicContact CD1-CG1 4.43Å; Y60-I204 HydrophobicContact CD1-CG2 4.47Å; Y60-I204 HydrophobicContact CD2-CD1 3.78Å; Y60-I204 HydrophobicContact CD2-CG1 4.38Å; Y60-I204 HydrophobicContact CD2-CG2 4.21Å; Y60-I204 HydrophobicContact CE1-CG2 4.07Å; Y60-I204 HydrophobicContact CE2-CD1 4.41Å; Y60-I204 HydrophobicContact CE2-CG2 3.77Å; Y60-I204 HydrophobicContact CG-CD1 3.86Å; Y60-I204 HydrophobicContact CG-CG1 4.21Å; Y60-Y208 HydrophobicContact CD1-CE2 4.21Å; Y60-Y208 AromaticContact CE1-CD2 3.9Å; Y60-Y208 HydrophobicContact CE1-CD2 3.9Å; Y60-Y208 AromaticContact CE1-CE2 3.83Å; Y60-Y208 HydrophobicContact CE1-CE2 3.83Å
61Y93.9Very high86.9Confident96 Ų9654.4 Ų54.438%0.37630%0.304SS..EExtended strand (participates in β ladder)trans-101108.3173.5-64-91.9000108.5L4 V7 I45 V47L4-Y61 HydrophobicContact CD2-CD2 3.56Å; L4-Y61 HydrophobicContact CD2-CE2 3.17Å; V7-Y61 PolarHBondContact N-O 2.6Å; V7-Y61 VanDerWaalsContact N-O 3.14Å; I45-Y61 HydrophobicContact CG2-CD1 3.87Å; I45-Y61 HydrophobicContact CG2-CG 4.45Å; V47-Y61 HydrophobicContact CG2-CD1 4.23Å; V47-Y61 HydrophobicContact CG2-CE1 4.1Å
62I95.8Very high85.3Confident0 Ų054.3 Ų54.30%032%0.323CS..EExtended strand (participates in β ladder)trans-97.1112.1-179.1-52.2-173.1000108.4V7 V9 I45 R46 H48 L64 F200 I204V7-I62 HydrophobicContact CB-CG1 4.16Å; V7-I62 HydrophobicContact CB-CG2 4.4Å; V7-I62 HydrophobicContact CG1-CG1 4.48Å; V7-I62 HydrophobicContact CG1-CG2 4.2Å; V7-I62 CarbonylContact O-C 3.55Å; V7-I62 WeakPolarHBondContact O-CA 3.48Å; V9-I62 HydrophobicContact CB-CG2 4.31Å; V9-I62 HydrophobicContact CG2-CG2 3.71Å; I45-I62 WeakPolarHBondContact CA-O 3.27Å; R46-I62 HydrophobicContact CB-CB 4.4Å; R46-I62 PolarHBondContact N-O 3.29Å; R46-I62 PolarHBondContact O-N 2.87Å; H48-I62 HydrophobicContact CB-CD1 3.52Å; H48-I62 HydrophobicContact CB-CG1 4.01Å; I62-L64 HydrophobicContact CG2-CD2 4Å; I62-L64 PolarHBondContact O-N 3.41Å; I62-F200 HydrophobicContact CD1-CB 3.63Å; I62-F200 HydrophobicContact CD1-CD1 3.37Å; I62-F200 HydrophobicContact CD1-CD2 4.38Å; I62-F200 HydrophobicContact CD1-CE1 4.1Å; I62-F200 HydrophobicContact CD1-CG 3.54Å; I62-F200 HydrophobicContact CG2-CD1 4.12Å; I62-F200 HydrophobicContact CG2-CE1 4.01Å; I62-I204 HydrophobicContact CD1-CD1 4.43Å
63E96.7Very high83.9Confident29 Ų2949.6 Ų49.614%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-79.1114.8173.1-59.6178179.600109R6 V7 V9 V43 W65R6-E63 WeakPolarHBondContact CD-OE1 3.33Å; R6-E63 IonicContact NH1-OE1 3.75Å; R6-E63 PolarHBondContact NH1-OE1 3Å; V7-E63 PolarHBondContact O-N 3.29Å; V9-E63 PolarHBondContact N-O 3.31Å; V43-E63 HydrophobicContact CG1-CB 4.03Å; E63-W65 PolarHBondContact OE2-NE1 3.24Å
64L96.8Very high82.5Confident0 Ų049 Ų490%029%0.293CS..EExtended strand (participates in β ladder)trans-93.4109.6171.6-59.6-171.9000109V9 V11 V23 L26 V43 D44 I62 F200V9-L64 HydrophobicContact CB-CD2 3.87Å; V9-L64 HydrophobicContact CG1-CD2 4.09Å; V11-L64 HydrophobicContact CG2-CB 4.31Å; V23-L64 HydrophobicContact CG1-CB 4.05Å; V23-L64 HydrophobicContact CG1-CD1 4.3Å; V23-L64 HydrophobicContact CG2-CB 4.24Å; V23-L64 HydrophobicContact CG2-CD1 4.42Å; L26-L64 HydrophobicContact CB-CD1 3.98Å; L26-L64 HydrophobicContact CD1-CD1 4.05Å; V43-L64 WeakPolarHBondContact CA-O 3.3Å; D44-L64 PolarHBondContact N-O 3.3Å; D44-L64 VanDerWaalsContact N-O 3.1Å; D44-L64 PolarHBondContact O-N 3.07Å; I62-L64 HydrophobicContact CG2-CD2 4Å; I62-L64 PolarHBondContact O-N 3.41Å; L64-F200 HydrophobicContact CD2-CE1 4.17Å; L64-F200 HydrophobicContact CD2-CZ 4.4Å
65W95.2Very high80.8Confident52 Ų5250.8 Ų50.820%0.19731%0.308CS..EExtended strand (participates in β ladder)trans-94.397.3-178.7-71.864.3000109.7K8 V9 L10 V11 C41 S42 V43 E63 V67 F84K8-W65 HydrophobicContact CG-CG 4.37Å; V9-W65 PolarHBondContact O-N 2.58Å; L10-W65 HydrophobicContact CD2-CB 3.83Å; L10-W65 HydrophobicContact CD2-CG 4.43Å; V11-W65 PolarHBondContact N-O 3.15Å; C41-W65 VanDerWaalsContact SG-CE3 3.54Å; S42-W65 CarbonylContact O-C 3.6Å; V43-W65 HydrophobicContact CG1-CG 4.48Å; V43-W65 HydrophobicContact CG2-CD2 3.45Å; V43-W65 VanDerWaalsContact CG2-CD2 3.45Å; V43-W65 HydrophobicContact CG2-CE3 3.6Å; V43-W65 HydrophobicContact CG2-CG 3.92Å; V43-W65 HydrophobicContact CG2-CH2 4.04Å; V43-W65 HydrophobicContact CG2-CZ2 3.95Å; V43-W65 HydrophobicContact CG2-CZ3 3.87Å; E63-W65 PolarHBondContact OE2-NE1 3.24Å; W65-V67 PolarHBondContact O-N 3.44Å; W65-F84 HydrophobicContact CE3-CD1 4.31Å; W65-F84 AromaticContact CZ3-CD1 3.9Å; W65-F84 HydrophobicContact CZ3-CD1 3.9Å
66D91.9Very high79Confident4 Ų447.6 Ų47.62%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-74.8103.2171179.619.9000109.2K19 S20 V23 T38 C41 S42K19-D66 VanDerWaalsContact CB-OD1 3.3Å; K19-D66 WeakPolarHBondContact CB-OD1 3.5Å; K19-D66 WeakPolarHBondContact CE-OD1 3.17Å; S20-D66 WeakPolarHBondContact CB-OD2 3.37Å; S20-D66 PolarHBondContact OG-OD2 3.17Å; V23-D66 HydrophobicContact CG2-CB 4.33Å; T38-D66 PolarHBondContact OG1-OD2 2.92Å; C41-D66 WeakPolarHBondContact CA-O 3.49Å; C41-D66 PolarHBondContact SG-O 3.44Å; C41-D66 VanDerWaalsContact SG-O 3.42Å; S42-D66 PolarHBondContact N-O 3Å; S42-D66 PolarHBondContact O-N 3.18Å
67V85.9Confident77.6Confident0 Ų044.6 Ų44.60%028%0.279CS..EExtended strand (participates in β ladder)trans-97.1115.8-179.4-1700000109.3L10 V11 L12 K19 W65 R81 F84 Y85L10-V67 HydrophobicContact CD2-CG2 4.24Å; V11-V67 PolarHBondContact O-N 3.1Å; L12-V67 HydrophobicContact CD2-CB 3.98Å; L12-V67 HydrophobicContact CD2-CG2 4.18Å; K19-V67 WeakPolarHBondContact CE-O 3.44Å; W65-V67 PolarHBondContact O-N 3.44Å; V67-R81 HydrophobicContact CG1-CG 3.39Å; V67-F84 HydrophobicContact CG1-CD2 4.4Å; V67-F84 HydrophobicContact CG2-CB 4.41Å; V67-Y85 HydrophobicContact CG1-CE1 4.2Å; V67-Y85 HydrophobicContact CG2-CE1 4.24Å
68G76.6Confident76.1Confident10 Ų1044 Ų4410%0.10328%0.275CS..  trans-76.1168.1176.900000113.4G40G40-G68 WeakPolarHBondContact O-CA 3.28Å; G40-G68 PolarHBondContact O-N 2.81Å
69G70.9Confident74.4Confident31 Ų3143.9 Ų43.932%0.3229%0.285SS..  trans122.3-172.8174.600000114.1
70S64.6Low73.2Confident55 Ų5545.3 Ų45.339%0.38529%0.294SS..  trans-131.1145.6178.8173.60000110.2G72 S73S70-G72 PolarHBondContact O-N 3.35Å; S70-G72 PolarHBondContact OG-N 2.86Å; S70-S73 VanDerWaalsContact O-CB 3.32Å; S70-S73 WeakPolarHBondContact O-CB 3.39Å; S70-S73 PolarHBondContact O-N 2.89Å
71V60.3Low72.4Confident8 Ų845.7 Ų45.75%0.04830%0.295CS..THydrogen-bonded Turntrans-66.3-20.8175.6-67.50000113.4K78 N105 R108 W109V71-K78 WeakPolarHBondContact O-CE 3.42Å; V71-K78 PolarHBondContact O-NZ 2.74Å; V71-K78 VanDerWaalsContact O-NZ 3.1Å; V71-N105 HydrophobicContact CG1-CB 4.48Å; V71-N105 HydrophobicContact CG2-CB 3.93Å; V71-R108 HydrophobicContact CB-CB 4.32Å; V71-R108 HydrophobicContact CG1-CB 4.08Å; V71-W109 VanDerWaalsContact CG1-CD1 3.47Å; V71-W109 HydrophobicContact CG1-CD2 3.73Å; V71-W109 VanDerWaalsContact CG1-CE2 3.41Å; V71-W109 HydrophobicContact CG1-CG 3.78Å; V71-W109 HydrophobicContact CG1-CZ2 4.02Å
72G54.2Low71.6Confident67 Ų6742.5 Ų42.569%0.69129%0.289SS*.THydrogen-bonded Turntrans-90.52.417700000114.2S70S70-G72 PolarHBondContact O-N 3.35Å; S70-G72 PolarHBondContact OG-N 2.86Å
73S57.4Low70.8Confident43 Ų4346.6 Ų46.630%0.30131%0.314SS..SBendtrans-69.9149.9179-142.60000110.8S70 V77S70-S73 VanDerWaalsContact O-CB 3.32Å; S70-S73 WeakPolarHBondContact O-CB 3.39Å; S70-S73 PolarHBondContact O-N 2.89Å; S73-V77 WeakPolarHBondContact OG-CB 3.3Å; S73-V77 WeakPolarHBondContact OG-CG2 3.41Å
74A56.6Low70.1Confident59 Ų5948 Ų4849%0.48832%0.319SS..  trans-50.3153.1-177.800000111.8S76 V77 K78A74-S76 PolarHBondContact O-N 2.81Å; A74-V77 PolarHBondContact O-N 2.86Å; A74-K78 PolarHBondContact O-N 3.33Å
75S56.3Low69.5Low96 Ų9648.1 Ų48.167%0.67132%0.32SS*.Hα-helixtrans-52.1-30.8-179.652.90000113.2K78 S79S75-K78 PolarHBondContact O-N 3.35Å; S75-S79 PolarHBondContact O-N 3.26Å
76S49.6Very low68.8Low75 Ų7549.8 Ų49.852%0.52433%0.333SS..Hα-helixtrans-60.7-40.4173.1520000113.6A74 S79 T80A74-S76 PolarHBondContact O-N 2.81Å; S76-S79 PolarHBondContact O-N 2.84Å; S76-T80 PolarHBondContact O-N 2.88Å; S76-T80 VanDerWaalsContact O-N 3.09Å; S76-T80 PolarHBondContact O-OG1 2.82Å
77V58.3Low68.5Low58 Ų5854.6 Ų54.635%0.35237%0.367SS..Hα-helixtrans-73.4-33.9178.9179.60000111.4S73 A74 R81S73-V77 WeakPolarHBondContact OG-CB 3.3Å; S73-V77 WeakPolarHBondContact OG-CG2 3.41Å; A74-V77 PolarHBondContact O-N 2.86Å; V77-R81 WeakPolarHBondContact O-CB 3.11Å; V77-R81 PolarHBondContact O-N 3.38Å; V77-R81 VanDerWaalsContact O-N 3.1Å
78K59.7Low68.7Low85 Ų8555.4 Ų55.437%0.3737%0.372SS..Hα-helixtrans-64.5-42.3171.9-62.6-173.6178.7-173.80111.4V71 A74 S75 R81 A82V71-K78 WeakPolarHBondContact O-CE 3.42Å; V71-K78 PolarHBondContact O-NZ 2.74Å; V71-K78 VanDerWaalsContact O-NZ 3.1Å; A74-K78 PolarHBondContact O-N 3.33Å; S75-K78 PolarHBondContact O-N 3.35Å; K78-R81 PolarHBondContact O-N 3.07Å; K78-A82 PolarHBondContact O-N 2.79Å; K78-A82 VanDerWaalsContact O-N 3.07Å
79S56.6Low69.5Low85 Ų8556.1 Ų56.159%0.59437%0.373SS*.Hα-helixtrans-61.6-43.5176.9-175.90000112.2S75 S76 R81 A82S75-S79 PolarHBondContact O-N 3.26Å; S76-S79 PolarHBondContact O-N 2.84Å; S79-R81 VanDerWaalsContact C-N 3.32Å; S79-R81 PolarHBondContact O-N 2.66Å; S79-A82 PolarHBondContact O-N 3.05Å
80T66.4Low70.7Confident96 Ų9654.7 Ų54.759%0.58936%0.358SS*.Hα-helixtrans-65-35.7175.2-54.30000112.4S76 V83S76-T80 PolarHBondContact O-N 2.88Å; S76-T80 VanDerWaalsContact O-N 3.09Å; S76-T80 PolarHBondContact O-OG1 2.82Å; T80-V83 WeakPolarHBondContact O-CG2 3.48Å
81R76.2Confident72.2Confident10 Ų1052 Ų524%0.03834%0.34CS..Hα-helixtrans-73.2-29.5-178.9-171.216850.3-125.75.2113.4V67 V77 K78 S79 V83 F84 Y85 E112V67-R81 HydrophobicContact CG1-CG 3.39Å; V77-R81 WeakPolarHBondContact O-CB 3.11Å; V77-R81 PolarHBondContact O-N 3.38Å; V77-R81 VanDerWaalsContact O-N 3.1Å; K78-R81 PolarHBondContact O-N 3.07Å; S79-R81 VanDerWaalsContact C-N 3.32Å; S79-R81 PolarHBondContact O-N 2.66Å; R81-V83 PolarHBondContact O-N 2.77Å; R81-V83 VanDerWaalsContact O-N 3.08Å; R81-F84 HydrophobicContact CG-CD2 4.4Å; R81-F84 WeakPolarHBondContact O-CB 3.24Å; R81-F84 WeakPolarHBondContact O-CD2 3.44Å; R81-F84 PolarHBondContact O-N 3.11Å; R81-Y85 WeakPolarHBondContact CD-OH 3.29Å; R81-Y85 HydrophobicContact CG-CE1 4.05Å; R81-Y85 HydrophobicContact CG-CE2 4.37Å; R81-Y85 WeakPolarHBondContact CG-OH 3.48Å; R81-Y85 PolarHBondContact NE-OH 3Å; R81-E112 IonicContact CZ-OE1 3.71Å; R81-E112 VanDerWaalsContact CZ-OE1 3.3Å; R81-E112 IonicContact CZ-OE2 3.05Å; R81-E112 IonicContact NE-OE1 3.87Å; R81-E112 PolarHBondContact NE-OE1 2.74Å; R81-E112 IonicContact NE-OE2 3.3Å; R81-E112 VanDerWaalsContact NH2-CD 3.3Å; R81-E112 IonicContact NH2-OE1 2.74Å; R81-E112 PolarHBondContact NH2-OE1 2.77Å; R81-E112 IonicContact NH2-OE2 3.68Å; R81-E112 PolarHBondContact NH2-OE2 3.01Å
82A77.3Confident74Confident30 Ų3051.7 Ų51.725%0.24834%0.337CS..G310 helixtrans-58.2-23.3179.400000113.9K78 S79 F84 Y85 R116K78-A82 PolarHBondContact O-N 2.79Å; K78-A82 VanDerWaalsContact O-N 3.07Å; S79-A82 PolarHBondContact O-N 3.05Å; A82-F84 PolarHBondContact O-N 3.4Å; A82-Y85 PolarHBondContact O-N 3.2Å; A82-R116 PolarHBondContact O-NH1 2.88Å
83V79.3Confident76Confident85 Ų8548.5 Ų48.552%0.51531%0.305SS..G310 helixtrans-61.7-29.9175.4-51.30000112.2T80 R81T80-V83 WeakPolarHBondContact O-CG2 3.48Å; R81-V83 PolarHBondContact O-N 2.77Å; R81-V83 VanDerWaalsContact O-N 3.08Å
84F82.4Confident77.9Confident58 Ų5846.4 Ų46.425%0.25429%0.29SS..G310 helixtrans-80.5-18-177.3-60.5-61.1000113.4K8 C41 W65 V67 R81 A82 N86K8-F84 VanDerWaalsContact CE-O 3.31Å; K8-F84 WeakPolarHBondContact CE-O 3.48Å; K8-F84 PolarHBondContact NZ-O 3.14Å; C41-F84 HydrophobicContact CB-CD1 3.99Å; C41-F84 HydrophobicContact CB-CD2 4.16Å; C41-F84 HydrophobicContact CB-CE1 3.89Å; C41-F84 HydrophobicContact CB-CE2 4.07Å; C41-F84 HydrophobicContact CB-CG 4.13Å; C41-F84 HydrophobicContact CB-CZ 3.93Å; W65-F84 HydrophobicContact CE3-CD1 4.31Å; W65-F84 AromaticContact CZ3-CD1 3.9Å; W65-F84 HydrophobicContact CZ3-CD1 3.9Å; V67-F84 HydrophobicContact CG1-CD2 4.4Å; V67-F84 HydrophobicContact CG2-CB 4.41Å; R81-F84 HydrophobicContact CG-CD2 4.4Å; R81-F84 WeakPolarHBondContact O-CB 3.24Å; R81-F84 WeakPolarHBondContact O-CD2 3.44Å; R81-F84 PolarHBondContact O-N 3.11Å; A82-F84 PolarHBondContact O-N 3.4Å; F84-N86 PolarHBondContact O-N 3Å
85Y83.1Confident79.8Confident4 Ų443.6 Ų43.62%0.01627%0.267CS..G310 helixtrans-83.20.9-173.2-62-20.7000112.9L10 L12 V67 R81 A82 V88 W109 E112 V113 R116L10-Y85 HydrophobicContact CD1-CD1 3.38Å; L10-Y85 HydrophobicContact CD1-CE1 4.03Å; L10-Y85 HydrophobicContact CD1-CG 4.02Å; L10-Y85 HydrophobicContact CD2-CD1 4.18Å; L10-Y85 HydrophobicContact CG-CD1 4.43Å; L12-Y85 HydrophobicContact CD2-CE1 3.76Å; V67-Y85 HydrophobicContact CG1-CE1 4.2Å; V67-Y85 HydrophobicContact CG2-CE1 4.24Å; R81-Y85 WeakPolarHBondContact CD-OH 3.29Å; R81-Y85 HydrophobicContact CG-CE1 4.05Å; R81-Y85 HydrophobicContact CG-CE2 4.37Å; R81-Y85 WeakPolarHBondContact CG-OH 3.48Å; R81-Y85 PolarHBondContact NE-OH 3Å; A82-Y85 PolarHBondContact O-N 3.2Å; Y85-V88 VanDerWaalsContact C-CG2 3.5Å; Y85-V88 WeakPolarHBondContact O-CG2 3.39Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.39Å; Y85-E112 HydrophobicContact CE2-CB 4.36Å; Y85-E112 HydrophobicContact CE2-CG 3.92Å; Y85-E112 VanDerWaalsContact CE2-OE1 3.24Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.15Å; Y85-E112 PolarHBondContact OH-OE1 3.36Å; Y85-V113 HydrophobicContact CD1-CG2 4.13Å; Y85-V113 HydrophobicContact CD2-CB 4.49Å; Y85-V113 HydrophobicContact CD2-CG2 3.85Å; Y85-V113 HydrophobicContact CE1-CG2 4.18Å; Y85-V113 HydrophobicContact CE2-CG2 3.94Å; Y85-V113 HydrophobicContact CG-CG2 3.94Å; Y85-R116 VanDerWaalsContact CA-NH2 3.28Å; Y85-R116 VanDerWaalsContact CB-NE 3.33Å; Y85-R116 PolarHBondContact O-NH2 3.35Å
86N81.9Confident81.7Confident86 Ų8639.5 Ų39.546%0.4624%0.237SC..THydrogen-bonded Turntrans-70.8141.5-172-73-16.2000110.5K8 F84 V88 R116K8-N86 PolarHBondContact NZ-O 3.47Å; F84-N86 PolarHBondContact O-N 3Å; N86-V88 PolarHBondContact O-N 3.29Å; N86-R116 VanDerWaalsContact CA-NH2 3.3Å; N86-R116 PolarHBondContact OD1-NH1 3.19Å; N86-R116 PolarHBondContact OD1-NH2 2.96Å
87S84.6Confident83.9Confident105 Ų10536 Ų3673%0.73421%0.213SC*.THydrogen-bonded Turntrans55.644.3175.1-54.40000114.2N89S87-N89 PolarHBondContact O-ND2 2.87Å
88V90.8Very high85.7Confident18 Ų1836.5 Ų36.511%0.10922%0.216CC..  trans-79.6139.1-179173.60000110.6K8 L10 Y85 N86 G90 I91 I140K8-V88 HydrophobicContact CD-CG2 4.44Å; L10-V88 HydrophobicContact CD1-CB 4.43Å; L10-V88 HydrophobicContact CD1-CG1 4.11Å; L10-V88 HydrophobicContact CD1-CG2 3.56Å; L10-V88 HydrophobicContact CD2-CG2 3.94Å; L10-V88 HydrophobicContact CG-CB 4.38Å; L10-V88 HydrophobicContact CG-CG1 3.88Å; L10-V88 HydrophobicContact CG-CG2 3.51Å; Y85-V88 VanDerWaalsContact C-CG2 3.5Å; Y85-V88 WeakPolarHBondContact O-CG2 3.39Å; N86-V88 PolarHBondContact O-N 3.29Å; V88-G90 WeakPolarHBondContact CG1-O 3.33Å; V88-I91 HydrophobicContact CG1-CD1 4.48Å; V88-I91 HydrophobicContact CG1-CG1 3.78Å; V88-I140 HydrophobicContact CG1-CG2 4.46Å
89N93.9Very high87.3Confident25 Ų2535.9 Ų35.913%0.13422%0.217CC..  trans-110-24.8-178.3-47.8134.1000112.2V7 K8 S87 P141 V203 R207V7-N89 HydrophobicContact CG1-CB 4.15Å; K8-N89 PolarHBondContact N-OD1 3.23Å; K8-N89 WeakPolarHBondContact O-CA 3.47Å; K8-N89 WeakPolarHBondContact O-CB 3.12Å; K8-N89 PolarHBondContact O-N 3.09Å; S87-N89 PolarHBondContact O-ND2 2.87Å; N89-P141 WeakPolarHBondContact O-CD 3.36Å; N89-V203 HydrophobicContact CB-CG1 3.74Å; N89-R207 WeakPolarHBondContact ND2-CD 3.36Å
90G95.3Very high89Confident0 Ų037.3 Ų37.30%021%0.212CC..EExtended strand (participates in β ladder)trans-153.1160.8174.200000111.3K8 V9 L10 V88 P141K8-G90 PolarHBondContact O-N 3.02Å; V9-G90 VanDerWaalsContact CA-O 3.28Å; V9-G90 WeakPolarHBondContact CA-O 3.5Å; L10-G90 PolarHBondContact N-O 3.05Å; V88-G90 WeakPolarHBondContact CG1-O 3.33Å; G90-P141 WeakPolarHBondContact CA-O 3.43Å
91I95.9Very high90.2Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-133.8132177.1-55.4167.9000109.5L10 L12 V88 L93 V113 I140 P141 L142 L143L10-I91 HydrophobicContact CB-CG1 4.48Å; L10-I91 HydrophobicContact CB-CG2 4.5Å; L12-I91 HydrophobicContact CD1-CG2 3.81Å; L12-I91 HydrophobicContact CG-CG2 4.35Å; V88-I91 HydrophobicContact CG1-CD1 4.48Å; V88-I91 HydrophobicContact CG1-CG1 3.78Å; I91-L93 HydrophobicContact CG2-CD2 3.88Å; I91-L93 HydrophobicContact CG2-CG 4.2Å; I91-V113 HydrophobicContact CD1-CB 4.15Å; I91-V113 HydrophobicContact CD1-CG1 3.73Å; I91-I140 HydrophobicContact CD1-CG2 4.16Å; I91-I140 HydrophobicContact CG1-CG2 3.99Å; I91-P141 PolarHBondContact N-O 3.26Å; I91-L142 HydrophobicContact CB-CD2 3.6Å; I91-L142 HydrophobicContact CD1-CD2 3.88Å; I91-L142 HydrophobicContact CG1-CD2 4.14Å; I91-L142 HydrophobicContact CG2-CD2 4.29Å; I91-L142 CarbonylContact O-C 3.55Å; I91-L142 WeakPolarHBondContact O-CA 3.36Å; I91-L143 PolarHBondContact O-N 2.9Å
92I97.6Very high91Very high0 Ų036.7 Ų36.70%020%0.202CC..EExtended strand (participates in β ladder)trans-106.6119.1170.1-59.6176.3000107.7V9 L10 V11 L12 L22 V94 L143 I145 F199V9-I92 HydrophobicContact CG1-CD1 3.83Å; V9-I92 HydrophobicContact CG1-CG1 3.71Å; L10-I92 PolarHBondContact O-N 3.13Å; V11-I92 WeakPolarHBondContact CA-O 3.34Å; V11-I92 HydrophobicContact CG2-CB 4.42Å; V11-I92 HydrophobicContact CG2-CD1 4.48Å; L12-I92 PolarHBondContact N-O 3.46Å; L22-I92 HydrophobicContact CD2-CG2 4.38Å; I92-V94 HydrophobicContact CG2-CG2 3.92Å; I92-L143 CarbonylContact C-O 3.59Å; I92-L143 WeakPolarHBondContact CA-O 3.49Å; I92-L143 HydrophobicContact CD1-CD2 4.44Å; I92-L143 HydrophobicContact CG1-CB 4.32Å; I92-L143 HydrophobicContact CG1-CD2 4.26Å; I92-I145 HydrophobicContact CG2-CB 4.42Å; I92-I145 HydrophobicContact CG2-CD1 3.69Å; I92-I145 HydrophobicContact CG2-CG1 3.93Å; I92-F199 HydrophobicContact CD1-CE1 4.06Å; I92-F199 HydrophobicContact CG1-CE1 3.78Å; I92-F199 HydrophobicContact CG1-CZ 3.98Å
93L96.8Very high91.8Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-98.9114177-63.6176.4000109.1L12 I91 L106 W109 L143 V144 I145 F171L12-L93 HydrophobicContact CB-CD2 4.22Å; L12-L93 HydrophobicContact CD1-CD2 4.49Å; I91-L93 HydrophobicContact CG2-CD2 3.88Å; I91-L93 HydrophobicContact CG2-CG 4.2Å; L93-L106 HydrophobicContact CB-CD1 3.96Å; L93-L106 HydrophobicContact CB-CD2 4.01Å; L93-L106 HydrophobicContact CB-CG 4.44Å; L93-W109 HydrophobicContact CD2-CB 4.49Å; L93-L143 PolarHBondContact N-O 3.06Å; L93-V144 HydrophobicContact CB-CG2 4.47Å; L93-V144 CarbonylContact O-C 3.58Å; L93-V144 WeakPolarHBondContact O-CA 3.37Å; L93-I145 PolarHBondContact O-N 3.33Å; L93-F171 HydrophobicContact CD1-CD1 4.19Å; L93-F171 HydrophobicContact CD1-CD2 3.94Å; L93-F171 HydrophobicContact CD1-CE1 4.25Å; L93-F171 HydrophobicContact CD1-CE2 3.99Å; L93-F171 HydrophobicContact CD1-CG 4.06Å; L93-F171 HydrophobicContact CD1-CZ 4.15Å
94V97.3Very high92.3Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-107.9125.9-173.4-169.10000110.1V11 L12 G13 V17 K19 L22 I92 L106 I145 T147V11-V94 HydrophobicContact CG1-CG2 3.57Å; L12-V94 PolarHBondContact O-N 2.96Å; G13-V94 WeakPolarHBondContact CA-O 3.43Å; V17-V94 HydrophobicContact CG2-CB 4.17Å; V17-V94 HydrophobicContact CG2-CG1 3.89Å; K19-V94 HydrophobicContact CG-CB 4.04Å; K19-V94 HydrophobicContact CG-CG1 4.35Å; K19-V94 HydrophobicContact CG-CG2 4.21Å; L22-V94 HydrophobicContact CD2-CG1 4.25Å; L22-V94 HydrophobicContact CD2-CG2 3.62Å; I92-V94 HydrophobicContact CG2-CG2 3.92Å; V94-L106 WeakPolarHBondContact O-CD2 3.4Å; V94-I145 WeakPolarHBondContact CA-O 3.41Å; V94-T147 HydrophobicContact CG1-CG2 3.6Å
95H97Very high92.7Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-129.6163.6172.372.794.3000111.5L106 I145 T147H95-L106 HydrophobicContact CB-CD1 3.95Å; H95-L106 HydrophobicContact CB-CD2 4.35Å; H95-L106 HydrophobicContact CB-CG 4.19Å; H95-I145 PolarHBondContact N-O 3.26Å; H95-T147 PolarHBondContact O-N 3.4Å; H95-T147 PolarHBondContact O-OG1 2.7Å
96D96.3Very high93.1Very high9 Ų932 Ų325%0.04817%0.171CC..EExtended strand (participates in β ladder)trans-96.1123.8176.2178.9-18.3000108.5V17 T98 N99 S102 K148V17-D96 HydrophobicContact CB-CB 4.13Å; V17-D96 HydrophobicContact CG1-CB 4.03Å; D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 3.05Å; D96-T98 WeakPolarHBondContact OD1-CA 3.43Å; D96-T98 WeakPolarHBondContact OD1-CB 3.28Å; D96-T98 PolarHBondContact OD1-N 3.33Å; D96-T98 PolarHBondContact OD1-OG1 3.42Å; D96-T98 PolarHBondContact OD2-OG1 3.29Å; D96-N99 HydrophobicContact CB-CB 4.06Å; D96-N99 CarbonylContact O-C 3.49Å; D96-N99 PolarHBondContact O-N 3.13Å; D96-N99 VanDerWaalsContact O-N 3.12Å; D96-N99 VanDerWaalsContact O-O 3.13Å; D96-S102 PolarHBondContact N-OG 3.36Å; D96-S102 PolarHBondContact O-OG 3.19Å; D96-K148 WeakPolarHBondContact OD2-CD 3.47Å; D96-K148 VanDerWaalsContact OD2-CE 3.29Å; D96-K148 WeakPolarHBondContact OD2-CE 3.36Å; D96-K148 IonicContact OD2-NZ 2.79Å; D96-K148 PolarHBondContact OD2-NZ 2.82Å
97L96.1Very high93.5Very high3 Ų330.3 Ų30.32%0.01616%0.159CC..THydrogen-bonded Turntrans-63.8-28.3-178.2-69.5167.1000112.4N99 T147 L149 I152 V160 R163 T164 N177L97-N99 VanDerWaalsContact C-N 3.35Å; L97-T147 VanDerWaalsContact CB-O 3.28Å; L97-T147 WeakPolarHBondContact CB-O 3.2Å; L97-T147 WeakPolarHBondContact CD1-O 3.47Å; L97-T147 WeakPolarHBondContact CG-O 3.36Å; L97-T147 PolarHBondContact N-O 3.37Å; L97-L149 HydrophobicContact CD1-CB 3.73Å; L97-L149 HydrophobicContact CD1-CD1 3.81Å; L97-L149 HydrophobicContact CD1-CG 4.37Å; L97-I152 HydrophobicContact CB-CD1 3.82Å; L97-I152 HydrophobicContact CB-CG1 3.82Å; L97-V160 HydrophobicContact CB-CG1 4.32Å; L97-V160 HydrophobicContact CD2-CG1 3.63Å; L97-R163 PolarHBondContact O-NH2 3.03Å; L97-T164 HydrophobicContact CD2-CG2 3.62Å; L97-N177 HydrophobicContact CD1-CB 4.13Å
98T94.9Very high93.6Very high68 Ų6829.2 Ų29.242%0.41714%0.139SC..THydrogen-bonded Turntrans-77.5-23.2177.974.20000112.1D96 K148 Q151 I152D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 3.05Å; D96-T98 WeakPolarHBondContact OD1-CA 3.43Å; D96-T98 WeakPolarHBondContact OD1-CB 3.28Å; D96-T98 PolarHBondContact OD1-N 3.33Å; D96-T98 PolarHBondContact OD1-OG1 3.42Å; D96-T98 PolarHBondContact OD2-OG1 3.29Å; T98-K148 HydrophobicContact CG2-CB 4.29Å; T98-Q151 HydrophobicContact CG2-CB 3.61Å; T98-I152 HydrophobicContact CG2-CD1 3.87Å
99N93.6Very high93.5Very high71 Ų7128.4 Ų28.438%0.3813%0.134SC..  trans-113.794.2-176.5-178-0.4000111.7D96 L97 K101 S102D96-N99 HydrophobicContact CB-CB 4.06Å; D96-N99 CarbonylContact O-C 3.49Å; D96-N99 PolarHBondContact O-N 3.13Å; D96-N99 VanDerWaalsContact O-N 3.12Å; D96-N99 VanDerWaalsContact O-O 3.13Å; L97-N99 VanDerWaalsContact C-N 3.35Å; N99-K101 PolarHBondContact O-N 2.63Å; N99-K101 VanDerWaalsContact O-N 3.09Å; N99-K101 WeakPolarHBondContact OD1-CB 3.37Å; N99-K101 PolarHBondContact OD1-N 3.22Å; N99-S102 WeakPolarHBondContact O-CB 3.3Å; N99-S102 PolarHBondContact O-N 3.2Å; N99-S102 PolarHBondContact O-OG 3.3Å
100K92.3Very high93.1Very high116 Ų11627.2 Ų27.250%0.50413%0.127SC..Hα-helixtrans-57.4-25.4177-170.7176.2-179.8177.10113.6S102 S103 Q104K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S103 PolarHBondContact O-OG 3.36Å; K100-Q104 WeakPolarHBondContact O-CG 3.13Å; K100-Q104 PolarHBondContact O-N 3.42Å
101K91.6Very high92.6Very high92 Ų9228 Ų2840%0.413%0.131SC..Hα-helixtrans-69.2-34.2177.4-173.157179174.50111.6N99 S103 Q104 N105N99-K101 PolarHBondContact O-N 2.63Å; N99-K101 VanDerWaalsContact O-N 3.09Å; N99-K101 WeakPolarHBondContact OD1-CB 3.37Å; N99-K101 PolarHBondContact OD1-N 3.22Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 2.75Å; K101-Q104 PolarHBondContact O-N 2.85Å; K101-N105 PolarHBondContact O-N 2.99Å
102S93.1Very high92Very high0 Ų029.7 Ų29.70%014%0.139CC..Hα-helixtrans-64-37.1179.172.60000112.4D96 N99 K100 N105 L106D96-S102 PolarHBondContact N-OG 3.36Å; D96-S102 PolarHBondContact O-OG 3.19Å; N99-S102 WeakPolarHBondContact O-CB 3.3Å; N99-S102 PolarHBondContact O-N 3.2Å; N99-S102 PolarHBondContact O-OG 3.3Å; K100-S102 VanDerWaalsContact C-N 3.31Å; S102-N105 PolarHBondContact O-N 3.13Å; S102-L106 PolarHBondContact O-N 3.46Å
103S93.6Very high91.3Very high8 Ų830.1 Ų30.16%0.05614%0.142CC..Hα-helixtrans-69-38.5175.968.30000112.1K100 K101 N105 L106K100-S103 PolarHBondContact O-OG 3.36Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 2.75Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 3.27Å; S103-L106 VanDerWaalsContact O-CB 3.32Å; S103-L106 WeakPolarHBondContact O-CB 3.32Å; S103-L106 PolarHBondContact O-N 2.87Å
104Q90.6Very high90.4Very high59 Ų5931.9 Ų31.928%0.27615%0.151SC..Hα-helixtrans-64.9-30.9173.7-66.9173.9-6.700112.7K100 K101 L106 Y107K100-Q104 WeakPolarHBondContact O-CG 3.13Å; K100-Q104 PolarHBondContact O-N 3.42Å; K101-Q104 PolarHBondContact O-N 2.85Å; Q104-L106 PolarHBondContact O-N 2.99Å; Q104-Y107 WeakPolarHBondContact O-CD2 3.44Å
105N90.7Very high89.3Confident12 Ų1233.9 Ų33.96%0.06416%0.162CC..Hα-helixtrans-75.2-13.4178.2-73.3-21.8000112.5D14 V71 K101 S102 S103 Y107 R108 W109D14-N105 PolarHBondContact OD2-ND2 3.37Å; V71-N105 HydrophobicContact CG1-CB 4.48Å; V71-N105 HydrophobicContact CG2-CB 3.93Å; K101-N105 PolarHBondContact O-N 2.99Å; S102-N105 PolarHBondContact O-N 3.13Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 3.27Å; N105-Y107 VanDerWaalsContact C-N 3.29Å; N105-Y107 PolarHBondContact O-N 2.62Å; N105-R108 WeakPolarHBondContact O-CB 3.39Å; N105-R108 PolarHBondContact O-N 3.05Å; N105-R108 VanDerWaalsContact O-N 3.07Å; N105-W109 VanDerWaalsContact O-CD1 3.28Å; N105-W109 PolarHBondContact O-N 3.02Å
106L91.8Very high87.4Confident0 Ų038.1 Ų38.10%018%0.178CC..Hα-helixtrans-60.5-37.2175.8-66.2-171.9000112.7L93 V94 H95 S102 S103 Q104 R108 W109 S110 V144 L167 F171L93-L106 HydrophobicContact CB-CD1 3.96Å; L93-L106 HydrophobicContact CB-CD2 4.01Å; L93-L106 HydrophobicContact CB-CG 4.44Å; V94-L106 WeakPolarHBondContact O-CD2 3.4Å; H95-L106 HydrophobicContact CB-CD1 3.95Å; H95-L106 HydrophobicContact CB-CD2 4.35Å; H95-L106 HydrophobicContact CB-CG 4.19Å; S102-L106 PolarHBondContact O-N 3.46Å; S103-L106 VanDerWaalsContact O-CB 3.32Å; S103-L106 WeakPolarHBondContact O-CB 3.32Å; S103-L106 PolarHBondContact O-N 2.87Å; Q104-L106 PolarHBondContact O-N 2.99Å; L106-R108 PolarHBondContact O-N 3.46Å; L106-W109 PolarHBondContact O-N 2.93Å; L106-W109 VanDerWaalsContact O-N 3.17Å; L106-S110 PolarHBondContact O-N 2.92Å; L106-S110 PolarHBondContact O-OG 3.09Å; L106-V144 HydrophobicContact CD1-CG1 4.23Å; L106-L167 HydrophobicContact CD1-CD2 4.03Å; L106-F171 HydrophobicContact CB-CE2 3.99Å; L106-F171 HydrophobicContact CB-CZ 3.98Å
107Y89.6Confident85Confident50 Ų5045.3 Ų45.320%0.19622%0.216CC..Hα-helixtrans-58.3-39.1174.6-61.6-76.9000111.6Q104 N105 S110 L111 Y130 L167 D170 F171Q104-Y107 WeakPolarHBondContact O-CD2 3.44Å; N105-Y107 VanDerWaalsContact C-N 3.29Å; N105-Y107 PolarHBondContact O-N 2.62Å; Y107-S110 PolarHBondContact O-OG 2.89Å; Y107-S110 VanDerWaalsContact O-OG 3.05Å; Y107-L111 WeakPolarHBondContact O-CB 3.47Å; Y107-L111 WeakPolarHBondContact O-CD1 3.3Å; Y107-L111 WeakPolarHBondContact O-CG 3.37Å; Y107-L111 PolarHBondContact O-N 3.35Å; Y107-L111 VanDerWaalsContact O-N 3.11Å; Y107-Y130 AromaticContact CD1-CD2 3.29Å; Y107-Y130 HydrophobicContact CD1-CD2 3.29Å; Y107-Y130 AromaticContact CD1-CE2 3.25Å; Y107-Y130 HydrophobicContact CD1-CE2 3.25Å; Y107-Y130 HydrophobicContact CD1-CG 4.06Å; Y107-Y130 AromaticContact CD1-CZ 3.98Å; Y107-Y130 HydrophobicContact CE1-CD1 4.36Å; Y107-Y130 AromaticContact CE1-CD2 3.73Å; Y107-Y130 HydrophobicContact CE1-CD2 3.73Å; Y107-Y130 HydrophobicContact CE1-CE1 4.19Å; Y107-Y130 AromaticContact CE1-CE2 3.54Å; Y107-Y130 HydrophobicContact CE1-CE2 3.54Å; Y107-Y130 HydrophobicContact CE1-CG 4.14Å; Y107-Y130 AromaticContact CE1-CZ 3.77Å; Y107-Y130 HydrophobicContact CG-CD2 4.23Å; Y107-Y130 HydrophobicContact CG-CE2 4.46Å; Y107-L167 HydrophobicContact CE1-CD1 4.46Å; Y107-L167 HydrophobicContact CE2-CD1 3.71Å; Y107-L167 WeakPolarHBondContact OH-CD1 3.38Å; Y107-D170 HydrophobicContact CE1-CB 4.08Å; Y107-D170 PolarHBondContact OH-OD2 3.17Å; Y107-F171 AromaticContact CD1-CE1 3.65Å; Y107-F171 HydrophobicContact CD1-CE1 3.65Å; Y107-F171 HydrophobicContact CD1-CE2 4.36Å; Y107-F171 AromaticContact CD1-CZ 3.41Å; Y107-F171 HydrophobicContact CD1-CZ 3.41Å; Y107-F171 VanDerWaalsContact CD1-CZ 3.41Å; Y107-F171 HydrophobicContact CD2-CZ 4.49Å; Y107-F171 HydrophobicContact CE1-CE1 4.09Å; Y107-F171 HydrophobicContact CE1-CE2 4.29Å; Y107-F171 AromaticContact CE1-CZ 3.74Å; Y107-F171 HydrophobicContact CE1-CZ 3.74Å; Y107-F171 HydrophobicContact CG-CE1 4.39Å; Y107-F171 AromaticContact CG-CZ 3.87Å; Y107-F171 HydrophobicContact CG-CZ 3.87Å
108R86.3Confident82.5Confident83 Ų8351.1 Ų51.131%0.31325%0.247SC..Hα-helixtrans-71.7-39.9177.4-64.5175.7176.3-179.2-5.8111.6V71 N105 L106 E112 V125V71-R108 HydrophobicContact CB-CB 4.32Å; V71-R108 HydrophobicContact CG1-CB 4.08Å; N105-R108 WeakPolarHBondContact O-CB 3.39Å; N105-R108 PolarHBondContact O-N 3.05Å; N105-R108 VanDerWaalsContact O-N 3.07Å; L106-R108 PolarHBondContact O-N 3.46Å; R108-E112 WeakPolarHBondContact O-CB 3.2Å; R108-E112 PolarHBondContact O-N 3.22Å; R108-V125 HydrophobicContact CG-CB 4.23Å; R108-V125 HydrophobicContact CG-CG1 4.46Å; R108-V125 PolarHBondContact NH2-O 2.8Å
109W88.9Confident79.8Confident0 Ų053.3 Ų53.30%026%0.26CS..Hα-helixtrans-62.6-43.6176.5-82.5113.5000112.3L12 G13 D14 V71 Y85 L93 N105 L106 E112L12-W109 HydrophobicContact CB-CB 4.27Å; L12-W109 HydrophobicContact CB-CD2 4.33Å; L12-W109 HydrophobicContact CB-CE3 4.16Å; L12-W109 HydrophobicContact CB-CG 4.41Å; L12-W109 HydrophobicContact CD2-CE3 4.19Å; L12-W109 HydrophobicContact CD2-CZ3 4.34Å; G13-W109 VanDerWaalsContact O-CZ2 3.3Å; G13-W109 WeakPolarHBondContact O-CZ2 3.48Å; D14-W109 PolarHBondContact OD1-NE1 2.96Å; V71-W109 VanDerWaalsContact CG1-CD1 3.47Å; V71-W109 HydrophobicContact CG1-CD2 3.73Å; V71-W109 VanDerWaalsContact CG1-CE2 3.41Å; V71-W109 HydrophobicContact CG1-CG 3.78Å; V71-W109 HydrophobicContact CG1-CZ2 4.02Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.39Å; L93-W109 HydrophobicContact CD2-CB 4.49Å; N105-W109 VanDerWaalsContact O-CD1 3.28Å; N105-W109 PolarHBondContact O-N 3.02Å; L106-W109 PolarHBondContact O-N 2.93Å; L106-W109 VanDerWaalsContact O-N 3.17Å; W109-E112 WeakPolarHBondContact O-CB 3.32Å; W109-E112 PolarHBondContact O-N 3.44Å
110S87.3Confident77.3Confident0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-69.3-45179.762.80000111.6L106 Y107 E112 V113 L114 F135 F171L106-S110 PolarHBondContact O-N 2.92Å; L106-S110 PolarHBondContact O-OG 3.09Å; Y107-S110 PolarHBondContact O-OG 2.89Å; Y107-S110 VanDerWaalsContact O-OG 3.05Å; S110-E112 PolarHBondContact O-N 3.32Å; S110-V113 PolarHBondContact O-N 3.34Å; S110-L114 WeakPolarHBondContact O-CG 3.38Å; S110-L114 PolarHBondContact O-N 3.01Å; S110-F135 WeakPolarHBondContact OG-CE1 3.45Å; S110-F135 WeakPolarHBondContact OG-CZ 3.36Å; S110-F171 WeakPolarHBondContact OG-CE1 3.11Å
111L83.8Confident74.7Confident16 Ų1655.6 Ų55.68%0.08429%0.288CS..Hα-helixtrans-59.3-33.5174.7-70170.8000112.5Y107 V113 L114 N115 V125 F135Y107-L111 WeakPolarHBondContact O-CB 3.47Å; Y107-L111 WeakPolarHBondContact O-CD1 3.3Å; Y107-L111 WeakPolarHBondContact O-CG 3.37Å; Y107-L111 PolarHBondContact O-N 3.35Å; Y107-L111 VanDerWaalsContact O-N 3.11Å; L111-V113 PolarHBondContact O-N 2.89Å; L111-L114 PolarHBondContact O-N 2.8Å; L111-N115 WeakPolarHBondContact CD2-ND2 3.41Å; L111-N115 WeakPolarHBondContact O-CB 3.46Å; L111-N115 PolarHBondContact O-N 2.76Å; L111-V125 HydrophobicContact CD1-CG1 4.38Å; L111-V125 HydrophobicContact CD1-CG2 4.06Å; L111-F135 HydrophobicContact CD2-CE2 3.91Å; L111-F135 HydrophobicContact CD2-CZ 3.98Å; L111-F135 HydrophobicContact CG-CE2 4.46Å; L111-F135 HydrophobicContact CG-CZ 4.23Å
112E83.1Confident72.2Confident37 Ų3754.7 Ų54.717%0.17331%0.305CS..Hα-helixtrans-62-30.2176.8-158.2-176.9112.600112.9R81 Y85 R108 W109 S110R81-E112 IonicContact CZ-OE1 3.71Å; R81-E112 VanDerWaalsContact CZ-OE1 3.3Å; R81-E112 IonicContact CZ-OE2 3.05Å; R81-E112 IonicContact NE-OE1 3.87Å; R81-E112 PolarHBondContact NE-OE1 2.74Å; R81-E112 IonicContact NE-OE2 3.3Å; R81-E112 VanDerWaalsContact NH2-CD 3.3Å; R81-E112 IonicContact NH2-OE1 2.74Å; R81-E112 PolarHBondContact NH2-OE1 2.77Å; R81-E112 IonicContact NH2-OE2 3.68Å; R81-E112 PolarHBondContact NH2-OE2 3.01Å; Y85-E112 HydrophobicContact CE2-CB 4.36Å; Y85-E112 HydrophobicContact CE2-CG 3.92Å; Y85-E112 VanDerWaalsContact CE2-OE1 3.24Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.15Å; Y85-E112 PolarHBondContact OH-OE1 3.36Å; R108-E112 WeakPolarHBondContact O-CB 3.2Å; R108-E112 PolarHBondContact O-N 3.22Å; W109-E112 WeakPolarHBondContact O-CB 3.32Å; W109-E112 PolarHBondContact O-N 3.44Å; S110-E112 PolarHBondContact O-N 3.32Å
113V83.3Confident69.6Low8 Ų859.4 Ų59.45%0.04833%0.334CS..Hα-helixtrans-87.1-36.9176.7-176.80000111.8L10 L12 Y85 I91 S110 L111 R116L10-V113 HydrophobicContact CD1-CG1 4.08Å; L10-V113 HydrophobicContact CD1-CG2 3.87Å; L12-V113 HydrophobicContact CD1-CG2 3.44Å; L12-V113 VanDerWaalsContact CD1-CG2 3.44Å; Y85-V113 HydrophobicContact CD1-CG2 4.13Å; Y85-V113 HydrophobicContact CD2-CB 4.49Å; Y85-V113 HydrophobicContact CD2-CG2 3.85Å; Y85-V113 HydrophobicContact CE1-CG2 4.18Å; Y85-V113 HydrophobicContact CE2-CG2 3.94Å; Y85-V113 HydrophobicContact CG-CG2 3.94Å; I91-V113 HydrophobicContact CD1-CB 4.15Å; I91-V113 HydrophobicContact CD1-CG1 3.73Å; S110-V113 PolarHBondContact O-N 3.34Å; L111-V113 PolarHBondContact O-N 2.89Å; V113-R116 WeakPolarHBondContact O-CD 3.38Å; V113-R116 WeakPolarHBondContact O-CG 3.44Å; V113-R116 PolarHBondContact O-NE 3.23Å
114L78.3Confident67Low37 Ų3766.1 Ų66.119%0.19437%0.368CS..Hα-helixtrans-84.6-33.1-172.9-59.8179.4000113.2S110 L111 R116 F135 N138 I140S110-L114 WeakPolarHBondContact O-CG 3.38Å; S110-L114 PolarHBondContact O-N 3.01Å; L111-L114 PolarHBondContact O-N 2.8Å; L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 3.46Å; L114-F135 HydrophobicContact CD1-CD1 3.64Å; L114-F135 HydrophobicContact CD1-CE1 3.24Å; L114-F135 HydrophobicContact CD1-CZ 3.87Å; L114-N138 HydrophobicContact CD1-CB 4.45Å; L114-N138 WeakPolarHBondContact CD2-ND2 3.45Å; L114-I140 HydrophobicContact CD2-CD1 4.37Å
115N72.6Confident64.8Low43 Ų4364.6 Ų64.623%0.2336%0.363CS..  trans-94.330.7-173.5-69.11.2000114.1L111 D117 L118 Q134L111-N115 WeakPolarHBondContact CD2-ND2 3.41Å; L111-N115 WeakPolarHBondContact O-CB 3.46Å; L111-N115 PolarHBondContact O-N 2.76Å; N115-D117 PolarHBondContact O-N 3.43Å; N115-L118 PolarHBondContact O-N 2.9Å; N115-L118 VanDerWaalsContact O-N 3.15Å; N115-Q134 PolarHBondContact ND2-OE1 2.9Å; N115-Q134 PolarHBondContact OD1-NE2 3.02Å; N115-Q134 PolarHBondContact OD1-OE1 3.21Å
116R57.6Low62.4Low88 Ų8868.1 Ų68.133%0.33239%0.385SS..THydrogen-bonded Turntrans-62.2-24.1-175.1-75166.2159.3-105.260.5115.2A82 Y85 N86 V113 L114 L118A82-R116 PolarHBondContact O-NH1 2.88Å; Y85-R116 VanDerWaalsContact CA-NH2 3.28Å; Y85-R116 VanDerWaalsContact CB-NE 3.33Å; Y85-R116 PolarHBondContact O-NH2 3.35Å; N86-R116 VanDerWaalsContact CA-NH2 3.3Å; N86-R116 PolarHBondContact OD1-NH1 3.19Å; N86-R116 PolarHBondContact OD1-NH2 2.96Å; V113-R116 WeakPolarHBondContact O-CD 3.38Å; V113-R116 WeakPolarHBondContact O-CG 3.44Å; V113-R116 PolarHBondContact O-NE 3.23Å; L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 3.46Å; R116-L118 VanDerWaalsContact C-N 3.31Å
117D46Very low60.2Low161 Ų16174.3 Ų74.386%0.86142%0.418SS*.THydrogen-bonded Turntrans-85.4-6.8-178.6-65.1-32.4000113N115N115-D117 PolarHBondContact O-N 3.43Å
118L44.3Very low57.9Low125 Ų12575.1 Ų75.165%0.65444%0.441SS*.SBendtrans-96110.9172.4-62.1173.4000108.1N115 R116N115-L118 PolarHBondContact O-N 2.9Å; N115-L118 VanDerWaalsContact O-N 3.15Å; R116-L118 VanDerWaalsContact C-N 3.31Å
119V38.6Very low56.2Low114 Ų11475.5 Ų75.569%0.69145%0.45SS*.  trans-32.8141162.7179.90000109.3T121V119-T121 PolarHBondContact O-N 3.03Å; V119-T121 PolarHBondContact O-OG1 3.17Å
120P40.4Very low54.8Low124 Ų12477.9 Ų77.981%0.80546%0.459SS*.  trans-66.868.6-177.530.6-37.7000111G122P120-G122 PolarHBondContact O-N 3.1Å
121T36.4Very low53.7Low110 Ų11081.6 Ų81.668%0.67548%0.479SS*.  trans-70.3121.6161.5-430000102.6V119 V123V119-T121 PolarHBondContact O-N 3.03Å; V119-T121 PolarHBondContact O-OG1 3.17Å; T121-V123 PolarHBondContact O-N 2.87Å
122G39.8Very low52.6Low74 Ų7488.6 Ų88.676%0.76350%0.504SS*.  trans-6274.2-175.200000112.3P120 L124P120-G122 PolarHBondContact O-N 3.1Å; G122-L124 PolarHBondContact O-N 3.2Å
123V38.7Very low51.7Low99 Ų9993.9 Ų93.960%0.653%0.529SS*.  trans-72.490.4167.5-174.80000105T121 V125T121-V123 PolarHBondContact O-N 2.87Å; V123-V125 HydrophobicContact CG1-CG2 4Å; V123-V125 PolarHBondContact O-N 3.42Å
124L38.9Very low50.6Low148 Ų14896.9 Ų96.978%0.77554%0.542SS*.  trans-58.591.6155.8-76.1163.6000105.6G122 T126G122-L124 PolarHBondContact O-N 3.2Å; L124-T126 PolarHBondContact O-N 3.32Å
125V45.1Very low49.8Very low27 Ų2795.4 Ų95.416%0.16454%0.535CS..  trans-63.692.9172.1-175.90000106.6R108 L111 V123R108-V125 HydrophobicContact CG-CB 4.23Å; R108-V125 HydrophobicContact CG-CG1 4.46Å; R108-V125 PolarHBondContact NH2-O 2.8Å; L111-V125 HydrophobicContact CD1-CG1 4.38Å; L111-V125 HydrophobicContact CD1-CG2 4.06Å; V123-V125 HydrophobicContact CG1-CG2 4Å; V123-V125 PolarHBondContact O-N 3.42Å
126T40Very low49.1Very low87 Ų8796.7 Ų96.753%0.53455%0.551SS.*  trans-71.8155.3157.1680000106.6L124 G128 D129L124-T126 PolarHBondContact O-N 3.32Å; T126-G128 PolarHBondContact O-N 2.97Å; T126-D129 PolarHBondContact O-N 2.97Å; T126-D129 PolarHBondContact OG1-OD2 2.87Å
127N45.9Very low49.3Very low130 Ų13098.9 Ų98.970%0.69557%0.57SS**THydrogen-bonded Turntrans-590.5-176.7-64.4-13.6000114.2
128G40.7Very low50.3Low66 Ų6693 Ų9368%0.6854%0.538SS*.THydrogen-bonded Turntrans-99.8-10.5179.500000116.2T126 Y130T126-G128 PolarHBondContact O-N 2.97Å; G128-Y130 VanDerWaalsContact C-N 3.34Å
129D51.1Low51.9Low91 Ų9192.9 Ų92.949%0.48753%0.534SS..  trans-97.926.6-178.8-57.2-54.5000112.6T126 D131T126-D129 PolarHBondContact O-N 2.97Å; T126-D129 PolarHBondContact OG1-OD2 2.87Å; D129-D131 PolarHBondContact O-N 3.43Å
130Y59Low54.3Low51 Ų5189.5 Ų89.520%0.251%0.512CS..  trans-80.9105.6173.2-178.9-108.8000109.4Y107 G128 R132 F135 D170 F171Y107-Y130 AromaticContact CD1-CD2 3.29Å; Y107-Y130 HydrophobicContact CD1-CD2 3.29Å; Y107-Y130 AromaticContact CD1-CE2 3.25Å; Y107-Y130 HydrophobicContact CD1-CE2 3.25Å; Y107-Y130 HydrophobicContact CD1-CG 4.06Å; Y107-Y130 AromaticContact CD1-CZ 3.98Å; Y107-Y130 HydrophobicContact CE1-CD1 4.36Å; Y107-Y130 AromaticContact CE1-CD2 3.73Å; Y107-Y130 HydrophobicContact CE1-CD2 3.73Å; Y107-Y130 HydrophobicContact CE1-CE1 4.19Å; Y107-Y130 AromaticContact CE1-CE2 3.54Å; Y107-Y130 HydrophobicContact CE1-CE2 3.54Å; Y107-Y130 HydrophobicContact CE1-CG 4.14Å; Y107-Y130 AromaticContact CE1-CZ 3.77Å; Y107-Y130 HydrophobicContact CG-CD2 4.23Å; Y107-Y130 HydrophobicContact CG-CE2 4.46Å; G128-Y130 VanDerWaalsContact C-N 3.34Å; Y130-R132 HydrophobicContact CE1-CB 4.3Å; Y130-F135 HydrophobicContact CD2-CE2 4.07Å; Y130-F135 AromaticContact CE2-CD2 3.58Å; Y130-F135 HydrophobicContact CE2-CD2 3.58Å; Y130-F135 AromaticContact CE2-CE2 3.34Å; Y130-F135 HydrophobicContact CE2-CE2 3.34Å; Y130-F135 HydrophobicContact CE2-CZ 4.1Å; Y130-F135 AromaticContact CZ-CD2 3.82Å; Y130-D170 HydrophobicContact CE1-CB 4.02Å; Y130-D170 PolarHBondContact OH-O 3.11Å; Y130-F171 HydrophobicContact CE2-CE1 4.28Å
131D63.4Low56.9Low78 Ų7884 Ų8442%0.41748%0.476SS..  trans-90.2108175.1-167.9-7.6000110.6D129 E133 Q134 F135D129-D131 PolarHBondContact O-N 3.43Å; D131-E133 PolarHBondContact O-N 3.05Å; D131-E133 WeakPolarHBondContact OD1-CB 3.21Å; D131-E133 PolarHBondContact OD1-N 3.24Å; D131-Q134 HydrophobicContact CB-CB 4.15Å; D131-Q134 PolarHBondContact O-N 2.89Å; D131-F135 WeakPolarHBondContact O-CD2 3.43Å
132R61.7Low59.7Low162 Ų16279.3 Ų79.361%0.61145%0.447SS*.Hα-helixtrans-66.3-27.5179.5-166178.7-175-175.54.3112Y130 F135 A136Y130-R132 HydrophobicContact CE1-CB 4.3Å; R132-F135 PolarHBondContact O-N 3.38Å; R132-A136 PolarHBondContact O-N 3.44Å
133E63Low62.4Low148 Ų14875.8 Ų75.869%0.69241%0.41SS*.Hα-helixtrans-71.2-35.8-179.6-59.9-171170.400111D131 F135 A136 D137D131-E133 PolarHBondContact O-N 3.05Å; D131-E133 WeakPolarHBondContact OD1-CB 3.21Å; D131-E133 PolarHBondContact OD1-N 3.24Å; E133-F135 PolarHBondContact O-N 3.21Å; E133-A136 WeakPolarHBondContact O-CB 3.45Å; E133-A136 PolarHBondContact O-N 3.39Å; E133-D137 PolarHBondContact O-N 3Å
134Q62Low65.2Low71 Ų7171.1 Ų71.133%0.33238%0.382SS..Hα-helixtrans-61.6-29.3177.2-168.8165.948.700113.3N115 D131N115-Q134 PolarHBondContact ND2-OE1 2.9Å; N115-Q134 PolarHBondContact OD1-NE2 3.02Å; N115-Q134 PolarHBondContact OD1-OE1 3.21Å; D131-Q134 HydrophobicContact CB-CB 4.15Å; D131-Q134 PolarHBondContact O-N 2.89Å
135F60.3Low68Low7 Ų764.1 Ų64.13%0.03135%0.345CS..Hα-helixtrans-86.8-24.2174.6-73-87.8000113.4S110 L111 L114 Y130 D131 R132 E133 D137 N138 L142 F171S110-F135 WeakPolarHBondContact OG-CE1 3.45Å; S110-F135 WeakPolarHBondContact OG-CZ 3.36Å; L111-F135 HydrophobicContact CD2-CE2 3.91Å; L111-F135 HydrophobicContact CD2-CZ 3.98Å; L111-F135 HydrophobicContact CG-CE2 4.46Å; L111-F135 HydrophobicContact CG-CZ 4.23Å; L114-F135 HydrophobicContact CD1-CD1 3.64Å; L114-F135 HydrophobicContact CD1-CE1 3.24Å; L114-F135 HydrophobicContact CD1-CZ 3.87Å; Y130-F135 HydrophobicContact CD2-CE2 4.07Å; Y130-F135 AromaticContact CE2-CD2 3.58Å; Y130-F135 HydrophobicContact CE2-CD2 3.58Å; Y130-F135 AromaticContact CE2-CE2 3.34Å; Y130-F135 HydrophobicContact CE2-CE2 3.34Å; Y130-F135 HydrophobicContact CE2-CZ 4.1Å; Y130-F135 AromaticContact CZ-CD2 3.82Å; D131-F135 WeakPolarHBondContact O-CD2 3.43Å; R132-F135 PolarHBondContact O-N 3.38Å; E133-F135 PolarHBondContact O-N 3.21Å; F135-D137 VanDerWaalsContact C-N 3.33Å; F135-N138 PolarHBondContact O-N 3.04Å; F135-L142 HydrophobicContact CD1-CD1 4.18Å; F135-F171 HydrophobicContact CD1-CD1 4.05Å; F135-F171 AromaticContact CE1-CD1 3.83Å; F135-F171 HydrophobicContact CE1-CD1 3.83Å; F135-F171 HydrophobicContact CE1-CE1 4.08Å; F135-F171 HydrophobicContact CZ-CD1 4.34Å; F135-F171 HydrophobicContact CZ-CE1 4.18Å
136A59.1Low70.5Confident70 Ų7062.8 Ų62.858%0.57934%0.337SS*.Hα-helixtrans-67.5-35.2176.700000112R132 E133R132-A136 PolarHBondContact O-N 3.44Å; E133-A136 WeakPolarHBondContact O-CB 3.45Å; E133-A136 PolarHBondContact O-N 3.39Å
137D61.1Low73.2Confident134 Ų13458.7 Ų58.772%0.71731%0.312SS*.SBendtrans-82.7-12.7177.4-75.4-22.3000113.7E133 F135 Q139E133-D137 PolarHBondContact O-N 3Å; F135-D137 VanDerWaalsContact C-N 3.33Å; D137-Q139 PolarHBondContact O-N 3.39Å
138N66.6Low75.5Confident36 Ų3655.2 Ų55.219%0.19329%0.291CS..  trans-68.4117.4-178.5-178.725.2000111.3L114 F135 I140L114-N138 HydrophobicContact CD1-CB 4.45Å; L114-N138 WeakPolarHBondContact CD2-ND2 3.45Å; F135-N138 PolarHBondContact O-N 3.04Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact OD1-N 3.26Å; N138-I140 VanDerWaalsContact OD1-N 3.13Å
139Q77.7Confident78.1Confident123 Ų12354.8 Ų54.858%0.57527%0.273SS*.  trans-81.5-10.6-179.6-64.6-60-43.400113.8D137 P141D137-Q139 PolarHBondContact O-N 3.39Å; Q139-P141 WeakPolarHBondContact O-CD 3.24Å
140I89.6Confident80Confident44 Ų4454.1 Ų54.123%0.22627%0.269CS..SBendtrans-80.1120.1-177.7-59.6170000109.4V88 I91 L114 N138 L142V88-I140 HydrophobicContact CG1-CG2 4.46Å; I91-I140 HydrophobicContact CD1-CG2 4.16Å; I91-I140 HydrophobicContact CG1-CG2 3.99Å; L114-I140 HydrophobicContact CD2-CD1 4.37Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact OD1-N 3.26Å; N138-I140 VanDerWaalsContact OD1-N 3.13Å; I140-L142 PolarHBondContact O-N 3.27Å
141P94.3Very high81.7Confident7 Ų757.2 Ų57.25%0.04529%0.285CS..  trans-59.7134.1175.5-24.836.6000112.2N89 G90 I91 Q139 F199 K202 V203 K206N89-P141 WeakPolarHBondContact O-CD 3.36Å; G90-P141 WeakPolarHBondContact CA-O 3.43Å; I91-P141 PolarHBondContact N-O 3.26Å; Q139-P141 WeakPolarHBondContact O-CD 3.24Å; P141-F199 HydrophobicContact CB-CD2 4.41Å; P141-F199 HydrophobicContact CB-CE2 4.02Å; P141-K202 HydrophobicContact CB-CD 4.23Å; P141-K202 HydrophobicContact CB-CG 4.25Å; P141-K202 HydrophobicContact CG-CD 4.43Å; P141-K202 HydrophobicContact CG-CG 4.02Å; P141-V203 HydrophobicContact CB-CG2 3.82Å; P141-V203 HydrophobicContact CG-CG2 3.98Å; P141-K206 HydrophobicContact CG-CB 4.32Å; P141-K206 HydrophobicContact CG-CG 3.99Å
142L95Very high83.2Confident13 Ų1354.1 Ų54.17%0.06827%0.269CS..EExtended strand (participates in β ladder)trans-112.8145178.8-58.1-178.1000110.5I91 F135 I140 F171 A173I91-L142 HydrophobicContact CB-CD2 3.6Å; I91-L142 HydrophobicContact CD1-CD2 3.88Å; I91-L142 HydrophobicContact CG1-CD2 4.14Å; I91-L142 HydrophobicContact CG2-CD2 4.29Å; I91-L142 CarbonylContact O-C 3.55Å; I91-L142 WeakPolarHBondContact O-CA 3.36Å; F135-L142 HydrophobicContact CD1-CD1 4.18Å; I140-L142 PolarHBondContact O-N 3.27Å; L142-F171 HydrophobicContact CD1-CB 4.06Å; L142-A173 HydrophobicContact CB-CB 3.8Å; L142-A173 WeakPolarHBondContact O-CB 3.47Å
143L97Very high84.6Confident0 Ų052.8 Ų52.80%027%0.269CS..EExtended strand (participates in β ladder)trans-133.5130.6171.3178.869.7000109.1I91 I92 L93 I145 E174 I176 L196 F199I91-L143 PolarHBondContact O-N 2.9Å; I92-L143 CarbonylContact C-O 3.59Å; I92-L143 WeakPolarHBondContact CA-O 3.49Å; I92-L143 HydrophobicContact CD1-CD2 4.44Å; I92-L143 HydrophobicContact CG1-CB 4.32Å; I92-L143 HydrophobicContact CG1-CD2 4.26Å; L93-L143 PolarHBondContact N-O 3.06Å; L143-I145 HydrophobicContact CD2-CD1 3.77Å; L143-I145 HydrophobicContact CD2-CG1 4.04Å; L143-I145 HydrophobicContact CG-CD1 4.32Å; L143-I145 HydrophobicContact CG-CG1 4.02Å; L143-E174 HydrophobicContact CD1-CB 3.91Å; L143-E174 WeakPolarHBondContact CD1-O 3.34Å; L143-I176 HydrophobicContact CD1-CD1 4.06Å; L143-I176 HydrophobicContact CD1-CG1 4.18Å; L143-I176 HydrophobicContact CD2-CD1 4.33Å; L143-L196 HydrophobicContact CD2-CD2 3.8Å; L143-F199 HydrophobicContact CB-CD1 4.29Å; L143-F199 HydrophobicContact CB-CD2 3.62Å; L143-F199 HydrophobicContact CB-CE1 4.29Å; L143-F199 HydrophobicContact CB-CE2 3.62Å; L143-F199 HydrophobicContact CB-CG 3.95Å; L143-F199 HydrophobicContact CB-CZ 3.97Å; L143-F199 HydrophobicContact CD2-CB 4.3Å; L143-F199 HydrophobicContact CD2-CD1 3.89Å; L143-F199 HydrophobicContact CD2-CE1 4.34Å; L143-F199 HydrophobicContact CD2-CG 3.96Å; L143-F199 HydrophobicContact CG-CD2 4.49Å; L143-F199 HydrophobicContact CG-CG 4.4Å
144V97.4Very high85.9Confident1 Ų152.8 Ų52.81%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-100.8126175.4-179.30000109.2L93 L106 L167 A168 F171 A173 E174 E175 I176L93-V144 HydrophobicContact CB-CG2 4.47Å; L93-V144 CarbonylContact O-C 3.58Å; L93-V144 WeakPolarHBondContact O-CA 3.37Å; L106-V144 HydrophobicContact CD1-CG1 4.23Å; V144-L167 HydrophobicContact CG1-CD2 4.31Å; V144-A168 HydrophobicContact CB-CB 4.47Å; V144-A168 HydrophobicContact CG2-CB 4.42Å; V144-F171 HydrophobicContact CG2-CD2 3.9Å; V144-A173 HydrophobicContact CG2-CB 3.92Å; V144-E174 PolarHBondContact N-O 3.28Å; V144-E175 WeakPolarHBondContact O-CA 3.47Å; V144-I176 PolarHBondContact O-N 3.17Å
145I97.7Very high87.3Confident0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-119.5117.8177.8-61.1-172.4000110.5L22 I92 L93 V94 H95 L143 T147 I176 L178 L196L22-I145 HydrophobicContact CD1-CD1 4.15Å; L22-I145 HydrophobicContact CD1-CG2 4.21Å; L22-I145 HydrophobicContact CD2-CB 4.32Å; L22-I145 HydrophobicContact CD2-CD1 3.87Å; L22-I145 HydrophobicContact CD2-CG2 4.03Å; I92-I145 HydrophobicContact CG2-CB 4.42Å; I92-I145 HydrophobicContact CG2-CD1 3.69Å; I92-I145 HydrophobicContact CG2-CG1 3.93Å; L93-I145 PolarHBondContact O-N 3.33Å; V94-I145 WeakPolarHBondContact CA-O 3.41Å; H95-I145 PolarHBondContact N-O 3.26Å; L143-I145 HydrophobicContact CD2-CD1 3.77Å; L143-I145 HydrophobicContact CD2-CG1 4.04Å; L143-I145 HydrophobicContact CG-CD1 4.32Å; L143-I145 HydrophobicContact CG-CG1 4.02Å; I145-T147 HydrophobicContact CG2-CG2 4.36Å; I145-I176 CarbonylContact C-O 3.57Å; I145-I176 VanDerWaalsContact CA-O 3.26Å; I145-I176 WeakPolarHBondContact CA-O 3.15Å; I145-I176 HydrophobicContact CG1-CB 4.37Å; I145-L178 HydrophobicContact CG2-CD2 4.2Å; I145-L178 HydrophobicContact CG2-CG 4.16Å; I145-L196 HydrophobicContact CD1-CD2 4.34Å
146G97.4Very high88.7Confident0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-91.9121.4169.700000110.8I176 N177 L178G146-I176 PolarHBondContact N-O 3.43Å; G146-N177 WeakPolarHBondContact CA-OD1 3.29Å; G146-N177 CarbonylContact O-C 3.58Å; G146-N177 WeakPolarHBondContact O-CA 3.42Å; G146-L178 PolarHBondContact O-N 3.37Å
147T96.6Very high90.2Very high1 Ų162.9 Ų62.91%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-99.9169.9179.164.70000112V17 V94 H95 L97 I145 L149 L178V17-T147 WeakPolarHBondContact O-CB 3.46Å; V17-T147 WeakPolarHBondContact O-CG2 3.43Å; V17-T147 PolarHBondContact O-OG1 2.9Å; V94-T147 HydrophobicContact CG1-CG2 3.6Å; H95-T147 PolarHBondContact O-N 3.4Å; H95-T147 PolarHBondContact O-OG1 2.7Å; L97-T147 VanDerWaalsContact CB-O 3.28Å; L97-T147 WeakPolarHBondContact CB-O 3.2Å; L97-T147 WeakPolarHBondContact CD1-O 3.47Å; L97-T147 WeakPolarHBondContact CG-O 3.36Å; L97-T147 PolarHBondContact N-O 3.37Å; I145-T147 HydrophobicContact CG2-CG2 4.36Å; T147-L149 VanDerWaalsContact C-N 3.31Å; T147-L149 PolarHBondContact O-N 2.94Å; T147-L178 CarbonylContact C-O 3.51Å; T147-L178 WeakPolarHBondContact CA-O 3.41Å
148K95.3Very high91.6Very high57 Ų5763.2 Ų63.225%0.24830%0.303CS..  trans61.736.4177.5-51.4-173.8-166.6166.30113.1G16 D96 T98 D150 Q151 L178G16-K148 PolarHBondContact O-NZ 2.94Å; G16-K148 VanDerWaalsContact O-NZ 3.13Å; D96-K148 WeakPolarHBondContact OD2-CD 3.47Å; D96-K148 VanDerWaalsContact OD2-CE 3.29Å; D96-K148 WeakPolarHBondContact OD2-CE 3.36Å; D96-K148 IonicContact OD2-NZ 2.79Å; D96-K148 PolarHBondContact OD2-NZ 2.82Å; T98-K148 HydrophobicContact CG2-CB 4.29Å; K148-D150 WeakPolarHBondContact CA-OD1 3.26Å; K148-D150 PolarHBondContact O-N 3.47Å; K148-Q151 HydrophobicContact CB-CB 4.48Å; K148-Q151 HydrophobicContact CB-CG 4.18Å; K148-Q151 PolarHBondContact O-N 2.71Å; K148-Q151 VanDerWaalsContact O-N 3.1Å; K148-L178 PolarHBondContact N-O 3.06Å
149L93.9Very high92.8Very high57 Ų5767.4 Ų67.430%0.29832%0.322SS..G310 helixtrans-60.2-30.6178.1179.862.4000112.2L97 T147 Q151 I152 N177 L178L97-L149 HydrophobicContact CD1-CB 3.73Å; L97-L149 HydrophobicContact CD1-CD1 3.81Å; L97-L149 HydrophobicContact CD1-CG 4.37Å; T147-L149 VanDerWaalsContact C-N 3.31Å; T147-L149 PolarHBondContact O-N 2.94Å; L149-Q151 PolarHBondContact O-N 3.3Å; L149-I152 PolarHBondContact O-N 3.49Å; L149-N177 HydrophobicContact CD1-CB 4.43Å; L149-N177 HydrophobicContact CD2-CB 4.22Å; L149-L178 PolarHBondContact N-O 3Å
150D92.8Very high93.4Very high77 Ų7762.2 Ų62.241%0.41230%0.298SS..G310 helixtrans-57.5-32.2174.461-61.9000112.9K148 I152 D179K148-D150 WeakPolarHBondContact CA-OD1 3.26Å; K148-D150 PolarHBondContact O-N 3.47Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.06Å; D150-D179 HydrophobicContact CB-CB 4.2Å
151Q94.4Very high93.5Very high115 Ų11562.6 Ų62.654%0.53731%0.305SS..G310 helixtrans-82.4-9.3-178.6-55.4-171.713.400113.2T98 K148 L149 H153T98-Q151 HydrophobicContact CG2-CB 3.61Å; K148-Q151 HydrophobicContact CB-CB 4.48Å; K148-Q151 HydrophobicContact CB-CG 4.18Å; K148-Q151 PolarHBondContact O-N 2.71Å; K148-Q151 VanDerWaalsContact O-N 3.1Å; L149-Q151 PolarHBondContact O-N 3.3Å; Q151-H153 PolarHBondContact O-N 3.39Å
152I93.6Very high93.4Very high14 Ų1465.9 Ų65.97%0.07232%0.321CS..SBendtrans-84.1116178.9-53.9-60.2000110.1L97 T98 L149 D150 K156 R157 V160L97-I152 HydrophobicContact CB-CD1 3.82Å; L97-I152 HydrophobicContact CB-CG1 3.82Å; T98-I152 HydrophobicContact CG2-CD1 3.87Å; L149-I152 PolarHBondContact O-N 3.49Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.06Å; I152-K156 HydrophobicContact CG2-CB 4.39Å; I152-R157 HydrophobicContact CB-CG 4.28Å; I152-R157 HydrophobicContact CG2-CB 4.48Å; I152-R157 HydrophobicContact CG2-CG 3.74Å; I152-R157 PolarHBondContact O-NE 3.01Å; I152-R157 VanDerWaalsContact O-NE 3.13Å; I152-V160 HydrophobicContact CG2-CB 4.46Å; I152-V160 HydrophobicContact CG2-CG2 4.09Å
153H91.8Very high93.2Very high134 Ų13468 Ų6862%0.6233%0.328SS*.  trans-57.8138.7174.6-158.7-90.4000111.1Q151 T155 K156 R157Q151-H153 PolarHBondContact O-N 3.39Å; H153-T155 VanDerWaalsContact C-N 3.26Å; H153-T155 PolarHBondContact ND1-OG1 3.42Å; H153-T155 VanDerWaalsContact ND1-OG1 3.11Å; H153-T155 PolarHBondContact O-N 3.08Å; H153-T155 VanDerWaalsContact O-N 3.15Å; H153-K156 PolarHBondContact O-N 3.13Å; H153-R157 PolarHBondContact O-N 3.03Å
154E89.8Confident93Very high147 Ų14768 Ų6869%0.68733%0.328SS*.Hα-helixtrans-53.5-41.5-172.4-171.4163.8-151.100113.2K156 R157E154-K156 PolarHBondContact O-N 3.07Å; E154-R157 WeakPolarHBondContact O-CB 3.35Å; E154-R157 PolarHBondContact O-N 3.39Å; E154-R157 VanDerWaalsContact O-N 3.14Å
155T91.1Very high92.7Very high121 Ų12169.5 Ų69.574%0.74234%0.341SS*.Hα-helixtrans-56.9-31.4176.1-37.10000113.9H153H153-T155 VanDerWaalsContact C-N 3.26Å; H153-T155 PolarHBondContact ND1-OG1 3.42Å; H153-T155 VanDerWaalsContact ND1-OG1 3.11Å; H153-T155 PolarHBondContact O-N 3.08Å; H153-T155 VanDerWaalsContact O-N 3.15Å
156K91.6Very high92.5Very high130 Ų13075.2 Ų75.257%0.56537%0.366SS*.Hα-helixtrans-98.4-6.8-177.7-66.3-173.8177.9-179.30113.1I152 H153 E154 H158 E159 V160I152-K156 HydrophobicContact CG2-CB 4.39Å; H153-K156 PolarHBondContact O-N 3.13Å; E154-K156 PolarHBondContact O-N 3.07Å; K156-H158 VanDerWaalsContact C-N 3.3Å; K156-H158 PolarHBondContact O-N 3.37Å; K156-E159 PolarHBondContact O-N 3.19Å; K156-V160 WeakPolarHBondContact O-CG2 3.48Å; K156-V160 PolarHBondContact O-N 3.42Å
157R89.1Confident92.2Very high109 Ų10975.7 Ų75.741%0.41137%0.368SS..Hα-helixtrans-60.4-40.5-176.9-74.2-176.3-176.3159.7-3.5112.4I152 H153 E154 V160 S161I152-R157 HydrophobicContact CB-CG 4.28Å; I152-R157 HydrophobicContact CG2-CB 4.48Å; I152-R157 HydrophobicContact CG2-CG 3.74Å; I152-R157 PolarHBondContact O-NE 3.01Å; I152-R157 VanDerWaalsContact O-NE 3.13Å; H153-R157 PolarHBondContact O-N 3.03Å; E154-R157 WeakPolarHBondContact O-CB 3.35Å; E154-R157 PolarHBondContact O-N 3.39Å; E154-R157 VanDerWaalsContact O-N 3.14Å; R157-V160 PolarHBondContact O-N 2.88Å; R157-S161 VanDerWaalsContact O-CB 3.31Å; R157-S161 WeakPolarHBondContact O-CB 3.46Å; R157-S161 PolarHBondContact O-N 2.9Å
158H90.7Very high92Very high142 Ų14275.9 Ų75.966%0.65737%0.37SS*.Hα-helixtrans-64-46.6179.5-171.562.6000112K156 V160 S161 I162K156-H158 VanDerWaalsContact C-N 3.3Å; K156-H158 PolarHBondContact O-N 3.37Å; H158-V160 PolarHBondContact O-N 2.96Å; H158-S161 PolarHBondContact O-N 3.05Å; H158-I162 WeakPolarHBondContact NE2-CD1 3.43Å; H158-I162 WeakPolarHBondContact O-CG1 3.46Å; H158-I162 PolarHBondContact O-N 3.3Å
159E91.4Very high91.8Very high124 Ų12478.7 Ų78.758%0.57938%0.384SS*.Hα-helixtrans-60-45.7176.1-173.1-161.8149.100111.6K156 I162 R163K156-E159 PolarHBondContact O-N 3.19Å; E159-I162 PolarHBondContact O-N 3.44Å; E159-R163 PolarHBondContact O-N 3.49Å; E159-R163 VanDerWaalsContact O-N 3.11Å
160V91.7Very high91.5Very high13 Ų1378.3 Ų78.38%0.07938%0.382CS..Hα-helixtrans-63.9-42.7178.8173.10000110.8L97 I152 K156 R157 H158 R163 T164L97-V160 HydrophobicContact CB-CG1 4.32Å; L97-V160 HydrophobicContact CD2-CG1 3.63Å; I152-V160 HydrophobicContact CG2-CB 4.46Å; I152-V160 HydrophobicContact CG2-CG2 4.09Å; K156-V160 WeakPolarHBondContact O-CG2 3.48Å; K156-V160 PolarHBondContact O-N 3.42Å; R157-V160 PolarHBondContact O-N 2.88Å; H158-V160 PolarHBondContact O-N 2.96Å; V160-R163 WeakPolarHBondContact O-CB 3.49Å; V160-R163 PolarHBondContact O-N 3.44Å; V160-T164 HydrophobicContact CG1-CG2 4.42Å; V160-T164 WeakPolarHBondContact O-CG2 3.45Å; V160-T164 PolarHBondContact O-N 2.83Å; V160-T164 PolarHBondContact O-OG1 3.46Å
161S89.9Confident91.3Very high52 Ų5274.8 Ų74.836%0.36436%0.363SS..Hα-helixtrans-63.8-41.3179.1-167.70000112.5R157 H158 R163 T164 A165R157-S161 VanDerWaalsContact O-CB 3.31Å; R157-S161 WeakPolarHBondContact O-CB 3.46Å; R157-S161 PolarHBondContact O-N 2.9Å; H158-S161 PolarHBondContact O-N 3.05Å; S161-R163 VanDerWaalsContact C-N 3.3Å; S161-R163 PolarHBondContact O-N 2.74Å; S161-T164 PolarHBondContact O-N 3.31Å; S161-T164 PolarHBondContact O-OG1 3.21Å; S161-T164 VanDerWaalsContact O-OG1 3.11Å; S161-A165 WeakPolarHBondContact O-CB 3.35Å; S161-A165 PolarHBondContact O-N 2.62Å
162I92.8Very high91.1Very high76 Ų7675.2 Ų75.239%0.3937%0.369SS..Hα-helixtrans-61.4-43.7175.1-71.7167.5000110H158 E159 A165 F166H158-I162 WeakPolarHBondContact NE2-CD1 3.43Å; H158-I162 WeakPolarHBondContact O-CG1 3.46Å; H158-I162 PolarHBondContact O-N 3.3Å; E159-I162 PolarHBondContact O-N 3.44Å; I162-A165 PolarHBondContact O-N 3.27Å; I162-F166 HydrophobicContact CG2-CD2 3.86Å; I162-F166 HydrophobicContact CG2-CE2 3.35Å; I162-F166 HydrophobicContact CG2-CZ 4.28Å; I162-F166 WeakPolarHBondContact O-CD2 3.32Å; I162-F166 PolarHBondContact O-N 3.46Å
163R91.8Very high91Very high57 Ų5775.4 Ų75.422%0.21537%0.373CS..Hα-helixtrans-64.7-40.1179.8-173.7-172.471.1-163.64.1112.6L97 E159 V160 S161 L167L97-R163 PolarHBondContact O-NH2 3.03Å; E159-R163 PolarHBondContact O-N 3.49Å; E159-R163 VanDerWaalsContact O-N 3.11Å; V160-R163 WeakPolarHBondContact O-CB 3.49Å; V160-R163 PolarHBondContact O-N 3.44Å; S161-R163 VanDerWaalsContact C-N 3.3Å; S161-R163 PolarHBondContact O-N 2.74Å; R163-L167 PolarHBondContact O-N 3.05Å
164T91.4Very high91.1Very high1 Ų171.7 Ų71.71%0.00636%0.356CS..Hα-helixtrans-72.4-3317859.70000112.1L97 V160 S161 F166 L167 A168 E175 N177L97-T164 HydrophobicContact CD2-CG2 3.62Å; V160-T164 HydrophobicContact CG1-CG2 4.42Å; V160-T164 WeakPolarHBondContact O-CG2 3.45Å; V160-T164 PolarHBondContact O-N 2.83Å; V160-T164 PolarHBondContact O-OG1 3.46Å; S161-T164 PolarHBondContact O-N 3.31Å; S161-T164 PolarHBondContact O-OG1 3.21Å; S161-T164 VanDerWaalsContact O-OG1 3.11Å; T164-F166 PolarHBondContact O-N 2.76Å; T164-L167 WeakPolarHBondContact O-CB 3.09Å; T164-L167 PolarHBondContact O-N 3.28Å; T164-A168 PolarHBondContact O-N 3.32Å; T164-E175 WeakPolarHBondContact CB-OE2 3.43Å; T164-E175 PolarHBondContact OG1-OE2 3.36Å; T164-N177 PolarHBondContact OG1-ND2 3.13Å
165A92.6Very high91.3Very high32 Ų3266.5 Ų66.526%0.26433%0.332SS..Hα-helixtrans-60.2-48.2175.100000111.2S161 I162 L167 A168 E169 E175S161-A165 WeakPolarHBondContact O-CB 3.35Å; S161-A165 PolarHBondContact O-N 2.62Å; I162-A165 PolarHBondContact O-N 3.27Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 3.26Å; A165-A168 PolarHBondContact O-N 3.37Å; A165-A168 VanDerWaalsContact O-N 3.16Å; A165-E169 WeakPolarHBondContact O-CG 3.37Å; A165-E169 PolarHBondContact O-N 3.38Å; A165-E175 PolarHBondContact N-OE2 2.99Å; A165-E175 VanDerWaalsContact N-OE2 3.1Å
166F92Very high91.5Very high121 Ų12160.8 Ų60.853%0.53130%0.296SS..Hα-helixtrans-60.3-40174.7-70.1-55.5000112.9I162 T164 A168 E169 D170I162-F166 HydrophobicContact CG2-CD2 3.86Å; I162-F166 HydrophobicContact CG2-CE2 3.35Å; I162-F166 HydrophobicContact CG2-CZ 4.28Å; I162-F166 WeakPolarHBondContact O-CD2 3.32Å; I162-F166 PolarHBondContact O-N 3.46Å; T164-F166 PolarHBondContact O-N 2.76Å; F166-A168 VanDerWaalsContact C-N 3.31Å; F166-A168 PolarHBondContact O-N 3.07Å; F166-E169 PolarHBondContact O-N 2.97Å; F166-D170 PolarHBondContact O-N 3.23Å
167L91.6Very high91.7Very high10 Ų1056 Ų565%0.05228%0.277CS..Hα-helixtrans-61.9-39.8176.3-178.768000112L106 Y107 V144 R163 T164 A165 F171L106-L167 HydrophobicContact CD1-CD2 4.03Å; Y107-L167 HydrophobicContact CE1-CD1 4.46Å; Y107-L167 HydrophobicContact CE2-CD1 3.71Å; Y107-L167 WeakPolarHBondContact OH-CD1 3.38Å; V144-L167 HydrophobicContact CG1-CD2 4.31Å; R163-L167 PolarHBondContact O-N 3.05Å; T164-L167 WeakPolarHBondContact O-CB 3.09Å; T164-L167 PolarHBondContact O-N 3.28Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 3.26Å; L167-F171 HydrophobicContact CD1-CD2 4.4Å; L167-F171 HydrophobicContact CD1-CE2 3.66Å; L167-F171 HydrophobicContact CD1-CZ 4.45Å; L167-F171 HydrophobicContact CG-CD2 4.43Å; L167-F171 HydrophobicContact CG-CE2 4.06Å; L167-F171 WeakPolarHBondContact O-CD2 3.18Å; L167-F171 PolarHBondContact O-N 2.79Å
168A91.9Very high91.9Very high4 Ų451 Ų513%0.03326%0.258CS..Hα-helixtrans-72.3-37.717800000112.2V144 T164 A165 F166 D170 F171 N172 A173 E175V144-A168 HydrophobicContact CB-CB 4.47Å; V144-A168 HydrophobicContact CG2-CB 4.42Å; T164-A168 PolarHBondContact O-N 3.32Å; A165-A168 PolarHBondContact O-N 3.37Å; A165-A168 VanDerWaalsContact O-N 3.16Å; F166-A168 VanDerWaalsContact C-N 3.31Å; F166-A168 PolarHBondContact O-N 3.07Å; A168-D170 VanDerWaalsContact C-N 3.33Å; A168-D170 PolarHBondContact O-N 3.1Å; A168-F171 CarbonylContact O-C 3.55Å; A168-F171 PolarHBondContact O-N 3.01Å; A168-N172 PolarHBondContact O-N 3.48Å; A168-A173 PolarHBondContact O-N 2.73Å; A168-E175 HydrophobicContact CB-CB 3.81Å; A168-E175 HydrophobicContact CB-CG 4.29Å
169E90.9Very high92.1Very high117 Ų11745.2 Ų45.255%0.54723%0.232SC..Hα-helixtrans-60.8-40.5172.6-75.4179.6-178.900112.2A165 F166 F171 N172A165-E169 WeakPolarHBondContact O-CG 3.37Å; A165-E169 PolarHBondContact O-N 3.38Å; F166-E169 PolarHBondContact O-N 2.97Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 2.7Å; E169-N172 PolarHBondContact O-N 3.29Å
170D89.1Confident92.1Very high48 Ų4839.7 Ų39.726%0.25721%0.207SC..Hα-helixtrans-57.6-44.4176.3-78.7-15.8000111Y107 Y130 F166 A168 N172Y107-D170 HydrophobicContact CE1-CB 4.08Å; Y107-D170 PolarHBondContact OH-OD2 3.17Å; Y130-D170 HydrophobicContact CE1-CB 4.02Å; Y130-D170 PolarHBondContact OH-O 3.11Å; F166-D170 PolarHBondContact O-N 3.23Å; A168-D170 VanDerWaalsContact C-N 3.33Å; A168-D170 PolarHBondContact O-N 3.1Å; D170-N172 VanDerWaalsContact C-N 3.29Å; D170-N172 PolarHBondContact O-N 3.26Å
171F88.1Confident91.9Very high3 Ų343.3 Ų43.31%0.01323%0.23CC..THydrogen-bonded Turntrans-82.10.3177.8-64.6-57.6000114.2L93 L106 Y107 S110 Y130 F135 L142 V144 L167 A168 E169 A173L93-F171 HydrophobicContact CD1-CD1 4.19Å; L93-F171 HydrophobicContact CD1-CD2 3.94Å; L93-F171 HydrophobicContact CD1-CE1 4.25Å; L93-F171 HydrophobicContact CD1-CE2 3.99Å; L93-F171 HydrophobicContact CD1-CG 4.06Å; L93-F171 HydrophobicContact CD1-CZ 4.15Å; L106-F171 HydrophobicContact CB-CE2 3.99Å; L106-F171 HydrophobicContact CB-CZ 3.98Å; Y107-F171 AromaticContact CD1-CE1 3.65Å; Y107-F171 HydrophobicContact CD1-CE1 3.65Å; Y107-F171 HydrophobicContact CD1-CE2 4.36Å; Y107-F171 AromaticContact CD1-CZ 3.41Å; Y107-F171 HydrophobicContact CD1-CZ 3.41Å; Y107-F171 VanDerWaalsContact CD1-CZ 3.41Å; Y107-F171 HydrophobicContact CD2-CZ 4.49Å; Y107-F171 HydrophobicContact CE1-CE1 4.09Å; Y107-F171 HydrophobicContact CE1-CE2 4.29Å; Y107-F171 AromaticContact CE1-CZ 3.74Å; Y107-F171 HydrophobicContact CE1-CZ 3.74Å; Y107-F171 HydrophobicContact CG-CE1 4.39Å; Y107-F171 AromaticContact CG-CZ 3.87Å; Y107-F171 HydrophobicContact CG-CZ 3.87Å; S110-F171 WeakPolarHBondContact OG-CE1 3.11Å; Y130-F171 HydrophobicContact CE2-CE1 4.28Å; F135-F171 HydrophobicContact CD1-CD1 4.05Å; F135-F171 AromaticContact CE1-CD1 3.83Å; F135-F171 HydrophobicContact CE1-CD1 3.83Å; F135-F171 HydrophobicContact CE1-CE1 4.08Å; F135-F171 HydrophobicContact CZ-CD1 4.34Å; F135-F171 HydrophobicContact CZ-CE1 4.18Å; L142-F171 HydrophobicContact CD1-CB 4.06Å; V144-F171 HydrophobicContact CG2-CD2 3.9Å; L167-F171 HydrophobicContact CD1-CD2 4.4Å; L167-F171 HydrophobicContact CD1-CE2 3.66Å; L167-F171 HydrophobicContact CD1-CZ 4.45Å; L167-F171 HydrophobicContact CG-CD2 4.43Å; L167-F171 HydrophobicContact CG-CE2 4.06Å; L167-F171 WeakPolarHBondContact O-CD2 3.18Å; L167-F171 PolarHBondContact O-N 2.79Å; A168-F171 CarbonylContact O-C 3.55Å; A168-F171 PolarHBondContact O-N 3.01Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 2.7Å; F171-A173 HydrophobicContact CB-CB 3.92Å; F171-A173 PolarHBondContact O-N 3.13Å
172N89.9Confident91.9Very high125 Ų12543.6 Ų43.667%0.66823%0.227SC*.THydrogen-bonded Turntrans49.242.5-170.5-168.635000112.3A168 E169 D170A168-N172 PolarHBondContact O-N 3.48Å; E169-N172 PolarHBondContact O-N 3.29Å; D170-N172 VanDerWaalsContact C-N 3.29Å; D170-N172 PolarHBondContact O-N 3.26Å
173A91.7Very high91.4Very high18 Ų1843.3 Ų43.315%0.14923%0.23CC..  trans-116.5156.9-171.600000111.4L142 V144 A168 F171L142-A173 HydrophobicContact CB-CB 3.8Å; L142-A173 WeakPolarHBondContact O-CB 3.47Å; V144-A173 HydrophobicContact CG2-CB 3.92Å; A168-A173 PolarHBondContact O-N 2.73Å; F171-A173 HydrophobicContact CB-CB 3.92Å; F171-A173 PolarHBondContact O-N 3.13Å
174E93Very high91Very high55 Ų5550.1 Ų50.126%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-76.3150.3165.1-68.8-168-145.100110.3L143 V144 R198L143-E174 HydrophobicContact CD1-CB 3.91Å; L143-E174 WeakPolarHBondContact CD1-O 3.34Å; V144-E174 PolarHBondContact N-O 3.28Å; E174-R198 WeakPolarHBondContact OE1-CD 3.37Å; E174-R198 IonicContact OE1-NH1 2.7Å; E174-R198 IonicContact OE2-NH1 3.6Å; E174-R198 PolarHBondContact OE2-NH1 3.04Å
175E94.9Very high90.3Very high39 Ų3951.2 Ų51.218%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-110.9142.2171.861.6160.2-156.500113.3V144 T164 A165 A168 K195V144-E175 WeakPolarHBondContact O-CA 3.47Å; T164-E175 WeakPolarHBondContact CB-OE2 3.43Å; T164-E175 PolarHBondContact OG1-OE2 3.36Å; A165-E175 PolarHBondContact N-OE2 2.99Å; A165-E175 VanDerWaalsContact N-OE2 3.1Å; A168-E175 HydrophobicContact CB-CB 3.81Å; A168-E175 HydrophobicContact CB-CG 4.29Å; E175-K195 PolarHBondContact O-NZ 2.83Å
176I95.9Very high89.5Confident1 Ų150.2 Ų50.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-134.2121.4170.2-58178.5000108.8L143 V144 I145 G146 L178 N192 K195 L196L143-I176 HydrophobicContact CD1-CD1 4.06Å; L143-I176 HydrophobicContact CD1-CG1 4.18Å; L143-I176 HydrophobicContact CD2-CD1 4.33Å; V144-I176 PolarHBondContact O-N 3.17Å; I145-I176 CarbonylContact C-O 3.57Å; I145-I176 VanDerWaalsContact CA-O 3.26Å; I145-I176 WeakPolarHBondContact CA-O 3.15Å; I145-I176 HydrophobicContact CG1-CB 4.37Å; G146-I176 PolarHBondContact N-O 3.43Å; I176-L178 HydrophobicContact CG2-CB 4.44Å; I176-L178 HydrophobicContact CG2-CD2 3.87Å; I176-L178 HydrophobicContact CG2-CG 4.45Å; I176-N192 HydrophobicContact CG2-CB 3.96Å; I176-K195 HydrophobicContact CD1-CB 3.63Å; I176-K195 HydrophobicContact CD1-CD 4.45Å; I176-K195 HydrophobicContact CG1-CB 3.96Å; I176-K195 HydrophobicContact CG1-CD 3.87Å; I176-L196 HydrophobicContact CD1-CD2 3.95Å; I176-L196 HydrophobicContact CD1-CG 3.63Å
177N95.3Very high89Confident30 Ų3046.5 Ų46.516%0.1625%0.246CC..EExtended strand (participates in β ladder)trans-105.1123.7172.8-67.7-42.7000108.6L97 G146 L149 T164L97-N177 HydrophobicContact CD1-CB 4.13Å; G146-N177 WeakPolarHBondContact CA-OD1 3.29Å; G146-N177 CarbonylContact O-C 3.58Å; G146-N177 WeakPolarHBondContact O-CA 3.42Å; L149-N177 HydrophobicContact CD1-CB 4.43Å; L149-N177 HydrophobicContact CD2-CB 4.22Å; T164-N177 PolarHBondContact OG1-ND2 3.13Å
178L94.3Very high88.4Confident2 Ų251 Ų511%0.0128%0.284CS..  trans-147.1167.3-173.765.979.3000113.3L22 I145 G146 T147 K148 L149 I176 C180L22-L178 HydrophobicContact CD1-CD1 4.26Å; L22-L178 HydrophobicContact CD1-CD2 4.12Å; I145-L178 HydrophobicContact CG2-CD2 4.2Å; I145-L178 HydrophobicContact CG2-CG 4.16Å; G146-L178 PolarHBondContact O-N 3.37Å; T147-L178 CarbonylContact C-O 3.51Å; T147-L178 WeakPolarHBondContact CA-O 3.41Å; K148-L178 PolarHBondContact N-O 3.06Å; L149-L178 PolarHBondContact N-O 3Å; I176-L178 HydrophobicContact CG2-CB 4.44Å; I176-L178 HydrophobicContact CG2-CD2 3.87Å; I176-L178 HydrophobicContact CG2-CG 4.45Å; L178-C180 HydrophobicContact CD1-CB 4.35Å; L178-C180 WeakPolarHBondContact CD1-SG 3.29Å
179D93.6Very high87.9Confident21 Ų2154.5 Ų54.511%0.11232%0.321CS..  trans-107.9113.5169.2171.412000108.4D150 T181 N182 S185D150-D179 HydrophobicContact CB-CB 4.2Å; D179-T181 VanDerWaalsContact CG-OG1 3.25Å; D179-T181 PolarHBondContact O-N 3.23Å; D179-T181 WeakPolarHBondContact OD1-CA 3.37Å; D179-T181 WeakPolarHBondContact OD1-CB 3.42Å; D179-T181 PolarHBondContact OD1-N 2.65Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; D179-T181 PolarHBondContact OD2-OG1 2.91Å; D179-T181 VanDerWaalsContact OD2-OG1 3.13Å; D179-N182 HydrophobicContact CB-CB 4.27Å; D179-N182 PolarHBondContact O-N 2.87Å; D179-N182 WeakPolarHBondContact OD2-CB 3.45Å; D179-S185 WeakPolarHBondContact O-CB 3.35Å; D179-S185 PolarHBondContact O-OG 2.94Å
180C90.8Very high87.9Confident8 Ų850.3 Ų50.35%0.05431%0.305CS..THydrogen-bonded Turntrans-70.1-13.2179.9-55.90000112.9L178L178-C180 HydrophobicContact CD1-CB 4.35Å; L178-C180 WeakPolarHBondContact CD1-SG 3.29Å
181T89.1Confident88Confident90 Ų9052 Ų5255%0.55232%0.32SS*.THydrogen-bonded Turntrans-89.8-6.2178.674.90000112.9V31 D179V31-T181 WeakPolarHBondContact CG2-O 3.49Å; D179-T181 VanDerWaalsContact CG-OG1 3.25Å; D179-T181 PolarHBondContact O-N 3.23Å; D179-T181 WeakPolarHBondContact OD1-CA 3.37Å; D179-T181 WeakPolarHBondContact OD1-CB 3.42Å; D179-T181 PolarHBondContact OD1-N 2.65Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; D179-T181 PolarHBondContact OD2-OG1 2.91Å; D179-T181 VanDerWaalsContact OD2-OG1 3.13Å
182N88.3Confident88.2Confident58 Ų5853.4 Ų53.431%0.3133%0.328SS..  trans-111.5114.2176.7-172.6-11.8000110.6D179 R184 S185D179-N182 HydrophobicContact CB-CB 4.27Å; D179-N182 PolarHBondContact O-N 2.87Å; D179-N182 WeakPolarHBondContact OD2-CB 3.45Å; N182-R184 PolarHBondContact O-N 3.26Å; N182-R184 VanDerWaalsContact O-N 3.1Å; N182-R184 VanDerWaalsContact OD1-CB 3.31Å; N182-R184 WeakPolarHBondContact OD1-CB 3.4Å; N182-R184 WeakPolarHBondContact OD1-CG 3.32Å; N182-R184 PolarHBondContact OD1-N 3.39Å; N182-S185 WeakPolarHBondContact O-CB 3.38Å; N182-S185 PolarHBondContact O-N 2.89Å; N182-S185 PolarHBondContact O-OG 3.25Å
183P82.5Confident88.2Confident69 Ų6948.1 Ų48.145%0.44830%0.301SS..G310 helixtrans-65-19.8-179.227.8-34.4000112.6V31 S185V31-P183 HydrophobicContact CG2-CB 4.43Å; V31-P183 HydrophobicContact CG2-CG 4.48Å; P183-S185 PolarHBondContact O-N 2.69Å
184R83.6Confident88.3Confident201 Ų20150.8 Ų50.876%0.75832%0.316SS*.G310 helixtrans-71.1-19.7177.6-58.4-177.6-173.21683.2112.7N182 S186 A187N182-R184 PolarHBondContact O-N 3.26Å; N182-R184 VanDerWaalsContact O-N 3.1Å; N182-R184 VanDerWaalsContact OD1-CB 3.31Å; N182-R184 WeakPolarHBondContact OD1-CB 3.4Å; N182-R184 WeakPolarHBondContact OD1-CG 3.32Å; N182-R184 PolarHBondContact OD1-N 3.39Å; R184-S186 PolarHBondContact O-N 3.44Å; R184-A187 WeakPolarHBondContact O-CB 3.36Å; R184-A187 PolarHBondContact O-N 3.1Å
185S76.5Confident88.3Confident23 Ų2351 Ų5116%0.16132%0.316CS..G310 helixtrans-67.8-18.5-177.9-66.40000113.9D179 N182 P183 N192D179-S185 WeakPolarHBondContact O-CB 3.35Å; D179-S185 PolarHBondContact O-OG 2.94Å; N182-S185 WeakPolarHBondContact O-CB 3.38Å; N182-S185 PolarHBondContact O-N 2.89Å; N182-S185 PolarHBondContact O-OG 3.25Å; P183-S185 PolarHBondContact O-N 2.69Å; S185-N192 VanDerWaalsContact O-CB 3.32Å; S185-N192 WeakPolarHBondContact O-CB 3.41Å; S185-N192 PolarHBondContact O-ND2 3.5Å
186S76.1Confident88.3Confident12 Ų1249.1 Ų49.18%0.08431%0.307CS..G310 helixtrans-121.919.2173.363.40000112.9L25 R184L25-S186 WeakPolarHBondContact CD1-OG 3.42Å; L25-S186 WeakPolarHBondContact CG-OG 3.45Å; R184-S186 PolarHBondContact O-N 3.44Å
187A80.9Confident88.3Confident43 Ų4350.6 Ų50.636%0.35532%0.317SS..  trans-61.7145-179.400000111.7R184 G189 S190 A193R184-A187 WeakPolarHBondContact O-CB 3.36Å; R184-A187 PolarHBondContact O-N 3.1Å; A187-G189 PolarHBondContact O-N 2.9Å; A187-S190 WeakPolarHBondContact O-CB 3.41Å; A187-S190 PolarHBondContact O-N 2.58Å; A187-S190 PolarHBondContact O-OG 2.91Å; A187-A193 VanDerWaalsContact O-CB 3.29Å; A187-A193 WeakPolarHBondContact O-CB 3.47Å
188A79.8Confident88.2Confident103 Ų10355.6 Ų55.685%0.85133%0.334SS*.THydrogen-bonded Turntrans-54.9137.7175.700000110.9S190A188-S190 VanDerWaalsContact C-N 3.26Å; A188-S190 PolarHBondContact O-N 3.43Å
189G82.4Confident88.4Confident78 Ų7855.8 Ų55.880%0.80434%0.335SS*.THydrogen-bonded Turntrans79.5-5.3-175.800000115.5A187A187-G189 PolarHBondContact O-N 2.9Å
190S89.9Confident88.5Confident30 Ų3054.8 Ų54.821%0.2133%0.33CS..SBendtrans-72154.8170.770.40000111.8A187 A188 N192 A193 V194A187-S190 WeakPolarHBondContact O-CB 3.41Å; A187-S190 PolarHBondContact O-N 2.58Å; A187-S190 PolarHBondContact O-OG 2.91Å; A188-S190 VanDerWaalsContact C-N 3.26Å; A188-S190 PolarHBondContact O-N 3.43Å; S190-N192 PolarHBondContact O-N 3.18Å; S190-A193 PolarHBondContact O-N 2.92Å; S190-A193 VanDerWaalsContact O-N 3.13Å; S190-A193 WeakPolarHBondContact OG-CB 3.36Å; S190-A193 PolarHBondContact OG-N 3.16Å; S190-A193 VanDerWaalsContact OG-N 3.13Å; S190-V194 WeakPolarHBondContact O-CG2 3.21Å; S190-V194 PolarHBondContact O-N 3.35Å; S190-V194 VanDerWaalsContact O-N 3.08Å
191S90.8Very high88.7Confident83 Ų8356 Ų5658%0.5834%0.335SS*.Hα-helixtrans-56.9-36.7174.6-177.90000112.2V194 K195S191-V194 PolarHBondContact O-N 3.13Å; S191-K195 WeakPolarHBondContact O-CG 3.13Å; S191-K195 PolarHBondContact O-N 2.63Å
192N92.1Very high88.9Confident33 Ų3356 Ų5618%0.17633%0.328CS..Hα-helixtrans-65.3-43.8176.9-68.7-7.2000111.9I176 S185 S190 V194 K195 L196I176-N192 HydrophobicContact CG2-CB 3.96Å; S185-N192 VanDerWaalsContact O-CB 3.32Å; S185-N192 WeakPolarHBondContact O-CB 3.41Å; S185-N192 PolarHBondContact O-ND2 3.5Å; S190-N192 PolarHBondContact O-N 3.18Å; N192-V194 VanDerWaalsContact C-N 3.35Å; N192-V194 PolarHBondContact O-N 3.25Å; N192-K195 PolarHBondContact O-N 3.37Å; N192-L196 WeakPolarHBondContact O-CB 3.42Å; N192-L196 WeakPolarHBondContact O-CG 3.31Å; N192-L196 PolarHBondContact O-N 3.45Å
193A90.8Very high89.3Confident13 Ų1353.3 Ų53.311%0.10731%0.313CS..Hα-helixtrans-62.3-42176.700000111.7A187 S190 L196 S197A187-A193 VanDerWaalsContact O-CB 3.29Å; A187-A193 WeakPolarHBondContact O-CB 3.47Å; S190-A193 PolarHBondContact O-N 2.92Å; S190-A193 VanDerWaalsContact O-N 3.13Å; S190-A193 WeakPolarHBondContact OG-CB 3.36Å; S190-A193 PolarHBondContact OG-N 3.16Å; S190-A193 VanDerWaalsContact OG-N 3.13Å; A193-L196 PolarHBondContact O-N 3.1Å; A193-S197 PolarHBondContact O-N 3.09Å; A193-S197 PolarHBondContact O-OG 3.23Å
194V92.8Very high89.8Confident75 Ų7550 Ų5046%0.45529%0.292SS..Hα-helixtrans-62.7-44.6177.3175.80000111.8S190 S191 N192 S197 R198S190-V194 WeakPolarHBondContact O-CG2 3.21Å; S190-V194 PolarHBondContact O-N 3.35Å; S190-V194 VanDerWaalsContact O-N 3.08Å; S191-V194 PolarHBondContact O-N 3.13Å; N192-V194 VanDerWaalsContact C-N 3.35Å; N192-V194 PolarHBondContact O-N 3.25Å; V194-S197 PolarHBondContact O-N 3.12Å; V194-R198 WeakPolarHBondContact O-CB 3.43Å; V194-R198 PolarHBondContact O-N 2.66Å
195K94.9Very high90.2Very high58 Ų5844.1 Ų44.125%0.25227%0.273SS..Hα-helixtrans-63-41.9175.9-72.1178.5172.1-172.80112E175 I176 S191 N192 R198 F199E175-K195 PolarHBondContact O-NZ 2.83Å; I176-K195 HydrophobicContact CD1-CB 3.63Å; I176-K195 HydrophobicContact CD1-CD 4.45Å; I176-K195 HydrophobicContact CG1-CB 3.96Å; I176-K195 HydrophobicContact CG1-CD 3.87Å; S191-K195 WeakPolarHBondContact O-CG 3.13Å; S191-K195 PolarHBondContact O-N 2.63Å; N192-K195 PolarHBondContact O-N 3.37Å; K195-R198 PolarHBondContact O-N 3.49Å; K195-F199 PolarHBondContact O-N 3.23Å
196L94.8Very high90.9Very high1 Ų147 Ų471%0.00528%0.282CS..Hα-helixtrans-61.2-47.8175.5-78.4164.7000111.8L26 L143 I145 I176 N192 A193 R198 F199 F200L26-L196 HydrophobicContact CD2-CD1 3.48Å; L26-L196 VanDerWaalsContact CD2-CD1 3.48Å; L26-L196 HydrophobicContact CD2-CD2 3.98Å; L26-L196 HydrophobicContact CD2-CG 4.37Å; L143-L196 HydrophobicContact CD2-CD2 3.8Å; I145-L196 HydrophobicContact CD1-CD2 4.34Å; I176-L196 HydrophobicContact CD1-CD2 3.95Å; I176-L196 HydrophobicContact CD1-CG 3.63Å; N192-L196 WeakPolarHBondContact O-CB 3.42Å; N192-L196 WeakPolarHBondContact O-CG 3.31Å; N192-L196 PolarHBondContact O-N 3.45Å; A193-L196 PolarHBondContact O-N 3.1Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 3.29Å; L196-F199 WeakPolarHBondContact O-CB 3.49Å; L196-F199 PolarHBondContact O-N 3.02Å; L196-F200 HydrophobicContact CB-CE2 4.36Å; L196-F200 HydrophobicContact CD2-CE2 4.36Å; L196-F200 WeakPolarHBondContact O-CD2 3.22Å; L196-F200 PolarHBondContact O-N 3Å
197S94.4Very high91.5Very high31 Ų3151.3 Ų51.322%0.21730%0.297CS..Hα-helixtrans-60.5-44.9178.1-64.60000111.3A193 V194 F199 F200 D201A193-S197 PolarHBondContact O-N 3.09Å; A193-S197 PolarHBondContact O-OG 3.23Å; V194-S197 PolarHBondContact O-N 3.12Å; S197-F199 VanDerWaalsContact C-N 3.31Å; S197-F199 PolarHBondContact O-N 3.29Å; S197-F200 PolarHBondContact O-N 3.24Å; S197-D201 WeakPolarHBondContact O-CB 3.33Å; S197-D201 VanDerWaalsContact O-CG 3.25Å; S197-D201 PolarHBondContact O-N 2.96Å
198R94.6Very high91.8Very high136 Ų13652.1 Ų52.151%0.51329%0.291SS..Hα-helixtrans-59.8-40.4175.9-172.3-170.4-67.1150.7-2.1112.5E174 V194 K195 L196 K202E174-R198 WeakPolarHBondContact OE1-CD 3.37Å; E174-R198 IonicContact OE1-NH1 2.7Å; E174-R198 IonicContact OE2-NH1 3.6Å; E174-R198 PolarHBondContact OE2-NH1 3.04Å; V194-R198 WeakPolarHBondContact O-CB 3.43Å; V194-R198 PolarHBondContact O-N 2.66Å; K195-R198 PolarHBondContact O-N 3.49Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 3.29Å; R198-K202 WeakPolarHBondContact O-CB 3.48Å; R198-K202 PolarHBondContact O-N 3.11Å
199F96.6Very high91.9Very high6 Ų652.3 Ų52.33%0.02627%0.273CS..Hα-helixtrans-61.7-48.2175.5168.2-103000111.6V9 I92 P141 L143 K195 L196 S197 K202 V203V9-F199 HydrophobicContact CG1-CE1 4.18Å; V9-F199 HydrophobicContact CG1-CZ 4.33Å; I92-F199 HydrophobicContact CD1-CE1 4.06Å; I92-F199 HydrophobicContact CG1-CE1 3.78Å; I92-F199 HydrophobicContact CG1-CZ 3.98Å; P141-F199 HydrophobicContact CB-CD2 4.41Å; P141-F199 HydrophobicContact CB-CE2 4.02Å; L143-F199 HydrophobicContact CB-CD1 4.29Å; L143-F199 HydrophobicContact CB-CD2 3.62Å; L143-F199 HydrophobicContact CB-CE1 4.29Å; L143-F199 HydrophobicContact CB-CE2 3.62Å; L143-F199 HydrophobicContact CB-CG 3.95Å; L143-F199 HydrophobicContact CB-CZ 3.97Å; L143-F199 HydrophobicContact CD2-CB 4.3Å; L143-F199 HydrophobicContact CD2-CD1 3.89Å; L143-F199 HydrophobicContact CD2-CE1 4.34Å; L143-F199 HydrophobicContact CD2-CG 3.96Å; L143-F199 HydrophobicContact CG-CD2 4.49Å; L143-F199 HydrophobicContact CG-CG 4.4Å; K195-F199 PolarHBondContact O-N 3.23Å; L196-F199 WeakPolarHBondContact O-CB 3.49Å; L196-F199 PolarHBondContact O-N 3.02Å; S197-F199 VanDerWaalsContact C-N 3.31Å; S197-F199 PolarHBondContact O-N 3.29Å; F199-K202 PolarHBondContact O-N 3.11Å; F199-V203 HydrophobicContact CD2-CG2 4.4Å; F199-V203 HydrophobicContact CE1-CG2 4.15Å; F199-V203 HydrophobicContact CE2-CG2 3.94Å; F199-V203 HydrophobicContact CZ-CG2 3.82Å; F199-V203 WeakPolarHBondContact O-CG2 3.47Å; F199-V203 PolarHBondContact O-N 3.46Å
200F96Very high91.1Very high0 Ų052.3 Ų52.30%026%0.26CS..Hα-helixtrans-65-40.6179.4-69.3-51.9000112.5V9 R46 H48 I62 L64 L196 S197 K202 V203 I204V9-F200 HydrophobicContact CG2-CE1 4.46Å; R46-F200 VanDerWaalsContact NE-CE2 3.33Å; H48-F200 AromaticContact ND1-CD2 3.91Å; I62-F200 HydrophobicContact CD1-CB 3.63Å; I62-F200 HydrophobicContact CD1-CD1 3.37Å; I62-F200 HydrophobicContact CD1-CD2 4.38Å; I62-F200 HydrophobicContact CD1-CE1 4.1Å; I62-F200 HydrophobicContact CD1-CG 3.54Å; I62-F200 HydrophobicContact CG2-CD1 4.12Å; I62-F200 HydrophobicContact CG2-CE1 4.01Å; L64-F200 HydrophobicContact CD2-CE1 4.17Å; L64-F200 HydrophobicContact CD2-CZ 4.4Å; L196-F200 HydrophobicContact CB-CE2 4.36Å; L196-F200 HydrophobicContact CD2-CE2 4.36Å; L196-F200 WeakPolarHBondContact O-CD2 3.22Å; L196-F200 PolarHBondContact O-N 3Å; S197-F200 PolarHBondContact O-N 3.24Å; F200-K202 VanDerWaalsContact C-N 3.35Å; F200-K202 PolarHBondContact O-N 3.21Å; F200-V203 WeakPolarHBondContact O-CB 3.45Å; F200-V203 PolarHBondContact O-N 3.37Å; F200-I204 WeakPolarHBondContact O-CG1 3.11Å; F200-I204 PolarHBondContact O-N 3.48Å
201D94.9Very high89.3Confident33 Ų3361.4 Ų61.418%0.17629%0.29CS..Hα-helixtrans-59.5-45.8173.8-69.9-10.2000111H48 Y50 S197 V203 I204 E205H48-D201 IonicContact CD2-OD1 3.44Å; H48-D201 IonicContact CE1-OD1 3.8Å; H48-D201 IonicContact NE2-OD1 3.74Å; H48-D201 PolarHBondContact NE2-OD1 3.4Å; Y50-D201 HydrophobicContact CD2-CB 3.98Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.49Å; Y50-D201 HydrophobicContact CE2-CB 3.94Å; S197-D201 WeakPolarHBondContact O-CB 3.33Å; S197-D201 VanDerWaalsContact O-CG 3.25Å; S197-D201 PolarHBondContact O-N 2.96Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3Å; D201-I204 PolarHBondContact O-N 3.17Å; D201-I204 VanDerWaalsContact O-N 3.16Å; D201-E205 WeakPolarHBondContact O-CB 3.28Å; D201-E205 VanDerWaalsContact O-CG 3.29Å; D201-E205 WeakPolarHBondContact O-CG 3.32Å; D201-E205 PolarHBondContact O-N 3.31Å
202K94.7Very high87Confident91 Ų9166.3 Ų66.340%0.39630%0.304SS..Hα-helixtrans-60.7-38.1176.2-174.7178.7179.1-179.10112.4P141 R198 F199 F200 K206P141-K202 HydrophobicContact CB-CD 4.23Å; P141-K202 HydrophobicContact CB-CG 4.25Å; P141-K202 HydrophobicContact CG-CD 4.43Å; P141-K202 HydrophobicContact CG-CG 4.02Å; R198-K202 WeakPolarHBondContact O-CB 3.48Å; R198-K202 PolarHBondContact O-N 3.11Å; F199-K202 PolarHBondContact O-N 3.11Å; F200-K202 VanDerWaalsContact C-N 3.35Å; F200-K202 PolarHBondContact O-N 3.21Å; K202-K206 WeakPolarHBondContact O-CB 3.41Å; K202-K206 WeakPolarHBondContact O-CG 3.47Å; K202-K206 PolarHBondContact O-N 3.3Å
203V95.2Very high84.7Confident0 Ų067.9 Ų67.90%033%0.328CS..Hα-helixtrans-64.6-45.4174.8170.20000111.1V7 V9 N89 P141 F199 F200 D201 R207V7-V203 HydrophobicContact CG1-CG1 3.33Å; V9-V203 HydrophobicContact CG2-CG1 4.3Å; N89-V203 HydrophobicContact CB-CG1 3.74Å; P141-V203 HydrophobicContact CB-CG2 3.82Å; P141-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CD2-CG2 4.4Å; F199-V203 HydrophobicContact CE1-CG2 4.15Å; F199-V203 HydrophobicContact CE2-CG2 3.94Å; F199-V203 HydrophobicContact CZ-CG2 3.82Å; F199-V203 WeakPolarHBondContact O-CG2 3.47Å; F199-V203 PolarHBondContact O-N 3.46Å; F200-V203 WeakPolarHBondContact O-CB 3.45Å; F200-V203 PolarHBondContact O-N 3.37Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3Å; V203-R207 WeakPolarHBondContact O-CB 3.36Å; V203-R207 PolarHBondContact O-N 3.13Å
204I93.9Very high82.1Confident0 Ų075 Ų750%036%0.364CS..Hα-helixtrans-62.5-46.8177.6-71.6161.5000110.5V7 Y50 Y60 I62 F200 D201 R207 Y208 F209V7-I204 HydrophobicContact CG2-CG1 3.87Å; Y50-I204 HydrophobicContact CD2-CB 4.17Å; Y50-I204 HydrophobicContact CD2-CD1 4.22Å; Y50-I204 HydrophobicContact CD2-CG2 3.82Å; Y50-I204 HydrophobicContact CE2-CB 4.49Å; Y50-I204 HydrophobicContact CE2-CG2 4.13Å; Y50-I204 HydrophobicContact CG-CG2 4.1Å; Y60-I204 HydrophobicContact CD1-CG1 4.43Å; Y60-I204 HydrophobicContact CD1-CG2 4.47Å; Y60-I204 HydrophobicContact CD2-CD1 3.78Å; Y60-I204 HydrophobicContact CD2-CG1 4.38Å; Y60-I204 HydrophobicContact CD2-CG2 4.21Å; Y60-I204 HydrophobicContact CE1-CG2 4.07Å; Y60-I204 HydrophobicContact CE2-CD1 4.41Å; Y60-I204 HydrophobicContact CE2-CG2 3.77Å; Y60-I204 HydrophobicContact CG-CD1 3.86Å; Y60-I204 HydrophobicContact CG-CG1 4.21Å; I62-I204 HydrophobicContact CD1-CD1 4.43Å; F200-I204 WeakPolarHBondContact O-CG1 3.11Å; F200-I204 PolarHBondContact O-N 3.48Å; D201-I204 PolarHBondContact O-N 3.17Å; D201-I204 VanDerWaalsContact O-N 3.16Å; I204-R207 PolarHBondContact O-N 3.45Å; I204-Y208 HydrophobicContact CG2-CD2 4.3Å; I204-Y208 PolarHBondContact O-N 3Å; I204-F209 HydrophobicContact CG2-CD2 4.42Å; I204-F209 HydrophobicContact CG2-CE2 3.85Å
205E92.2Very high79.4Confident78 Ų7880 Ų8036%0.36438%0.382SS..Iπ-helixtrans-56.2-52.1176.6-77.9173.2-179.100112.3Y50 D201 R207 F209 C210Y50-E205 HydrophobicContact CE2-CG 3.84Å; Y50-E205 VanDerWaalsContact OH-CG 3.23Å; Y50-E205 WeakPolarHBondContact OH-CG 3.12Å; Y50-E205 PolarHBondContact OH-OE1 2.85Å; D201-E205 WeakPolarHBondContact O-CB 3.28Å; D201-E205 VanDerWaalsContact O-CG 3.29Å; D201-E205 WeakPolarHBondContact O-CG 3.32Å; D201-E205 PolarHBondContact O-N 3.31Å; E205-R207 VanDerWaalsContact C-N 3.25Å; E205-R207 PolarHBondContact O-N 2.87Å; E205-F209 CarbonylContact O-C 3.58Å; E205-F209 WeakPolarHBondContact O-CA 3.31Å; E205-F209 WeakPolarHBondContact O-CB 3.41Å; E205-F209 PolarHBondContact O-N 3.32Å; E205-C210 PolarHBondContact O-N 3.01Å
206K90.3Very high76.6Confident82 Ų8284.2 Ų84.236%0.35741%0.406SS..Iπ-helixtrans-61.6-34.6178.5-77.4-71.9-172.9173.40112.4P141 K202 C210P141-K206 HydrophobicContact CG-CB 4.32Å; P141-K206 HydrophobicContact CG-CG 3.99Å; K202-K206 WeakPolarHBondContact O-CB 3.41Å; K202-K206 WeakPolarHBondContact O-CG 3.47Å; K202-K206 PolarHBondContact O-N 3.3Å; K206-C210 HydrophobicContact CD-CB 4.44Å
207R89.1Confident73.9Confident103 Ų10389.7 Ų89.739%0.38944%0.441SS..Iπ-helixtrans-79.4-41.7-177.4176.956.2-176.788.73.4114.1N89 V203 I204 E205N89-R207 WeakPolarHBondContact ND2-CD 3.36Å; V203-R207 WeakPolarHBondContact O-CB 3.36Å; V203-R207 PolarHBondContact O-N 3.13Å; I204-R207 PolarHBondContact O-N 3.45Å; E205-R207 VanDerWaalsContact C-N 3.25Å; E205-R207 PolarHBondContact O-N 2.87Å
208Y87.6Confident71Confident60 Ų6091.6 Ų91.624%0.23547%0.466CS..Iπ-helixtrans-109.9-30.5-169.1-69.4-74.4000113.6D5 R6 V7 Y60 I204D5-Y208 HydrophobicContact CB-CE1 4Å; D5-Y208 HydrophobicContact CB-CE2 4.15Å; R6-Y208 PolarHBondContact N-OH 3.46Å; R6-Y208 PolarHBondContact O-OH 3.42Å; V7-Y208 HydrophobicContact CG2-CE2 3.9Å; Y60-Y208 HydrophobicContact CD1-CE2 4.21Å; Y60-Y208 AromaticContact CE1-CD2 3.9Å; Y60-Y208 HydrophobicContact CE1-CD2 3.9Å; Y60-Y208 AromaticContact CE1-CE2 3.83Å; Y60-Y208 HydrophobicContact CE1-CE2 3.83Å; I204-Y208 HydrophobicContact CG2-CD2 4.3Å; I204-Y208 PolarHBondContact O-N 3Å
209F81.7Confident68.2Low107 Ų10794.3 Ų94.347%0.46948%0.482SS..Iπ-helixtrans-110.6-20.3-167.9-59.2-87.3000113.4Y50 I204 E205 R211Y50-F209 HydrophobicContact CE1-CE2 4.19Å; Y50-F209 HydrophobicContact CE1-CZ 4.19Å; I204-F209 HydrophobicContact CG2-CD2 4.42Å; I204-F209 HydrophobicContact CG2-CE2 3.85Å; E205-F209 CarbonylContact O-C 3.58Å; E205-F209 WeakPolarHBondContact O-CA 3.31Å; E205-F209 WeakPolarHBondContact O-CB 3.41Å; E205-F209 PolarHBondContact O-N 3.32Å; F209-R211 PolarHBondContact O-N 3.35Å; F209-R211 VanDerWaalsContact O-N 3.12Å
210C65.6Low65.4Low79 Ų7999.5 Ų99.553%0.53452%0.516SS..THydrogen-bonded Turntrans-73.2-1179.3-145.80000114.2E205 K206E205-C210 PolarHBondContact O-N 3.01Å; K206-C210 HydrophobicContact CD-CB 4.44Å
211R52.5Low62.5Low220 Ų220107.3 Ų107.383%0.8356%0.558SS**THydrogen-bonded Turntrans-89.6-8.1-178.7-98.3-174.2173-171.6-2.2115.5F209 G213F209-R211 PolarHBondContact O-N 3.35Å; F209-R211 VanDerWaalsContact O-N 3.12Å; R211-G213 PolarHBondContact O-N 3.45Å
212E42.6Very low59.7Low187 Ų187115.8 Ų115.887%0.87459%0.587SS**THydrogen-bonded Turntrans-91.918.3-178.6-68.1-154.7147.400115.1
213G42.8Very low57.1Low66 Ų66120.9 Ų120.968%0.6861%0.61SS**THydrogen-bonded Turntrans-92.9-6.5-177.200000117.3R211R211-G213 PolarHBondContact O-N 3.45Å
214N37.1Very low54.4Low162 Ų162131.1 Ų131.187%0.86665%0.648SS**SBendtrans-128.125.4-171.1-105.15.8000115.6
215Q35.2Very low51.7Low180 Ų180141 Ų14184%0.84169%0.692SS**  trans-108.795.8157.7-70.5-169.439.800108.7P217Q215-P217 WeakPolarHBondContact O-CD 3.44Å
216I37.7Very low48.9Very low146 Ų146140.9 Ų140.975%0.74971%0.711SS**PPolyproline II helixtrans-55.2122.2158-59.3169.9000105.6G218I216-G218 PolarHBondContact O-N 3.24Å; I216-G218 VanDerWaalsContact O-N 3.09Å
217P36.6Very low46.3Very low116 Ų116141.1 Ų141.175%0.75374%0.737SS**PPolyproline II helixtrans-60.5121.4174-9.421.3000107.1Q215 F219Q215-P217 WeakPolarHBondContact O-CD 3.44Å; P217-F219 PolarHBondContact O-N 3.14Å
218G34.7Very low43.6Very low71 Ų71139.8 Ų139.873%0.73276%0.755SS**PPolyproline II helixtrans-46.3127-178.600000111.2I216I216-G218 PolarHBondContact O-N 3.24Å; I216-G218 VanDerWaalsContact O-N 3.09Å
219F34.7Very low41.3Very low193 Ų193143.2 Ų143.285%0.84678%0.782SS**PPolyproline II helixtrans-51.9127.3160.6-88.6-94.1000108.1P217 D221P217-F219 PolarHBondContact O-N 3.14Å; F219-D221 PolarHBondContact O-N 2.87Å
220P37.4Very low39.3Very low115 Ų115146.2 Ų146.275%0.74780%0.803SS**PPolyproline II helixtrans-67.8123.2168.727-29.5000107.6R222P220-R222 PolarHBondContact O-N 3.15Å
221D35.9Very low38.1Very low164 Ų164150.9 Ų150.988%0.87781%0.814SS**  trans-48.4108.2176.1-91.9-45.3000110.5F219 K223F219-D221 PolarHBondContact O-N 2.87Å; D221-K223 VanDerWaalsContact C-N 3.33Å; D221-K223 PolarHBondContact O-N 3.18Å
222R35.9Very low37.2Very low211 Ų211147.9 Ų147.980%0.79681%0.814SS**  trans-7393.3173.4-153.7176.7-169.5178.64.2106.5P220 R224P220-R222 PolarHBondContact O-N 3.15Å; R222-R224 VanDerWaalsContact C-N 3.31Å; R222-R224 PolarHBondContact O-N 3.11Å
223K40.4Very low37.1Very low199 Ų199148.2 Ų148.287%0.86581%0.813SS**  trans-50.497163.8-79.7-174.5177.7178.70108.6D221D221-K223 VanDerWaalsContact C-N 3.33Å; D221-K223 PolarHBondContact O-N 3.18Å
224R37.6Very low36.7Very low214 Ų214153.6 Ų153.681%0.80882%0.82SS**  trans-87.3109.5164.5-89.4-174.3171.7179.1-1.3107.6R222R222-R224 VanDerWaalsContact C-N 3.31Å; R222-R224 PolarHBondContact O-N 3.11Å
225F38.2Very low36.8Very low209 Ų209156.1 Ų156.192%0.91782%0.819SS**  trans-50.6132.2154.4-85.6-98.6000109.8
226G32.8Very low37.1Very low74 Ų74158.6 Ų158.676%0.76384%0.838SS**  trans-168.3105.7170.300000109
227G36.1Very low37.1Very low87 Ų87159.2 Ų159.290%0.89784%0.842SS**  trans-65.4156.3-174.900000114.3
228G32.8Very low37.1Very low75 Ų75161.5 Ų161.577%0.77385%0.847SS**  trans-169.385.4175.400000109.9
229T39Very low37.3Very low132 Ų132166.5 Ų166.581%0.8185%0.853SS**  trans-45.7132.7163.1-45.90000110.7
230L38.7Very low37.4Very low171 Ų171164.9 Ų164.990%0.89585%0.854SS**  trans-168.5129.4137.2-100.2154.9000111.5
231K40.3Very low37.4Very low177 Ų177168.1 Ų168.177%0.7786%0.86SS**  trans-70.6145.9175.6-61.4167.7169.3176.90110.2
232N34.7Very low37.5Very low156 Ų156168.3 Ų168.383%0.83486%0.859SS**  179.6129105.9-95.5-7000112.2
233F39.5Very low37.6Very low195 Ų195165.3 Ų165.386%0.85586%0.864SS**  trans-68.1134.5159.2-81.1-103.7000110
234H35.3Very low37.4Very low178 Ų178162.7 Ų162.782%0.82486%0.864SS**  -167.8131.3121-111.558.6000111
235Y38.7Very low37.4Very low216 Ų216158.4 Ų158.485%0.84787%0.868SS**  trans-78.2130.8153.6-98.8-102.2000107.1
236D42.6Very low37.3Very low231 Ų231153.8 Ų153.8100%1.23586%0.864SS**  -168.30123.6-86.7-25.7000108.8

Retrieved 236 of 236 residues in 108.5 ms (Link to these results)

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