A0A077Z7T7_TRITR Loading...

Aspartate--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A077Z7T7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 491 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
1M51.8Low69.1Low203 Ų20383.8 Ų83.8100%146%0.459SS*.  0128.60-99.5175.3-90.900107.2M5M1-M5 HydrophobicContact CG-CB 4.42Å
2S58.9Low69.5Low69 Ų6977.6 Ų77.648%0.48342%0.424SS..  trans-62.3150.3171.954.40000110E4 M5 A6S2-E4 PolarHBondContact O-N 3.32Å; S2-M5 PolarHBondContact O-N 3.18Å; S2-A6 PolarHBondContact O-N 3.22Å
3N67.2Low69.8Low151 Ų15177.5 Ų77.581%0.80743%0.433SS*.Hα-helixtrans-52-31.5178.1-79.1-14.1000112.6A6 A7N3-A6 PolarHBondContact O-N 3.19Å; N3-A7 PolarHBondContact O-N 3.1Å; N3-A7 VanDerWaalsContact O-N 3.12Å
4E69.2Low70.1Confident142 Ų14281.6 Ų81.666%0.66444%0.444SS*.Hα-helixtrans-65.9-42.8177.5-159.8172.8-159.900112.7S2 A6 A7 I8S2-E4 PolarHBondContact O-N 3.32Å; E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 2.93Å; E4-A7 PolarHBondContact O-N 2.79Å; E4-I8 WeakPolarHBondContact O-CG1 3.06Å; E4-I8 PolarHBondContact O-N 3.34Å
5M70.2Confident70.4Confident39 Ų3977.5 Ų77.519%0.19242%0.421CS..Hα-helixtrans-68.9-32.8177-76.9-65.7166.600112.5M1 S2 I8 C9 Y109M1-M5 HydrophobicContact CG-CB 4.42Å; S2-M5 PolarHBondContact O-N 3.18Å; M5-I8 HydrophobicContact SD-CD1 4.29Å; M5-C9 WeakPolarHBondContact O-CB 3.31Å; M5-C9 PolarHBondContact O-N 2.89Å; M5-C9 PolarHBondContact O-SG 2.63Å; M5-Y109 HydrophobicContact CE-CE2 3.76Å; M5-Y109 HydrophobicContact SD-CE2 4.06Å
6A71.8Confident70.7Confident50 Ų5073.6 Ų73.641%0.41340%0.401SS..Hα-helixtrans-64.7-45.6173.400000111.2S2 N3 E4 I8 C9 E10S2-A6 PolarHBondContact O-N 3.22Å; N3-A6 PolarHBondContact O-N 3.19Å; E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 2.93Å; A6-I8 PolarHBondContact O-N 2.96Å; A6-C9 PolarHBondContact O-N 2.84Å; A6-E10 PolarHBondContact O-N 2.8Å
7A75.1Confident70.6Confident42 Ų4277.4 Ų77.435%0.34743%0.434SS..Hα-helixtrans-62.1-41.8176.300000112.3N3 E4 E10 Q11N3-A7 PolarHBondContact O-N 3.1Å; N3-A7 VanDerWaalsContact O-N 3.12Å; E4-A7 PolarHBondContact O-N 2.79Å; A7-E10 PolarHBondContact O-N 2.89Å; A7-Q11 WeakPolarHBondContact O-CB 3Å; A7-Q11 VanDerWaalsContact O-CG 3.25Å; A7-Q11 WeakPolarHBondContact O-CG 3.44Å; A7-Q11 PolarHBondContact O-N 2.79Å
8I74.9Confident71Confident10 Ų1075.9 Ų75.95%0.05143%0.425CS..Hα-helixtrans-62.3-44174.4-69.4166.4000110.4E4 M5 A6 E10 Q11 M12 V33 I35 W53E4-I8 WeakPolarHBondContact O-CG1 3.06Å; E4-I8 PolarHBondContact O-N 3.34Å; M5-I8 HydrophobicContact SD-CD1 4.29Å; A6-I8 PolarHBondContact O-N 2.96Å; I8-E10 PolarHBondContact O-N 2.98Å; I8-Q11 PolarHBondContact O-N 2.88Å; I8-M12 HydrophobicContact CG2-CG 4.27Å; I8-M12 WeakPolarHBondContact O-CB 3.28Å; I8-M12 VanDerWaalsContact O-CG 3.31Å; I8-M12 WeakPolarHBondContact O-CG 3.26Å; I8-M12 PolarHBondContact O-N 3.05Å; I8-V33 HydrophobicContact CG2-CG1 4.47Å; I8-I35 HydrophobicContact CD1-CG1 4.2Å; I8-I35 HydrophobicContact CG1-CG1 4.26Å; I8-I35 HydrophobicContact CG2-CD1 3.85Å; I8-I35 HydrophobicContact CG2-CG1 3.68Å; I8-W53 HydrophobicContact CG2-CZ2 4.42Å
9C71.6Confident71.5Confident39 Ų3976.2 Ų76.226%0.26443%0.432SS..Hα-helixtrans-62.7-41178.6-70.30000112.2M5 A6 M12 S13 K133M5-C9 WeakPolarHBondContact O-CB 3.31Å; M5-C9 PolarHBondContact O-N 2.89Å; M5-C9 PolarHBondContact O-SG 2.63Å; A6-C9 PolarHBondContact O-N 2.84Å; C9-M12 PolarHBondContact O-N 2.99Å; C9-S13 PolarHBondContact O-N 2.97Å; C9-S13 PolarHBondContact O-OG 3.4Å; C9-K133 PolarHBondContact SG-NZ 2.86Å
10E74.3Confident72.5Confident124 Ų12474.7 Ų74.758%0.57942%0.423SS*.Hα-helixtrans-65.9-39.5176.1-169.5-166.815800112.1A6 A7 I8 S13A6-E10 PolarHBondContact O-N 2.8Å; A7-E10 PolarHBondContact O-N 2.89Å; I8-E10 PolarHBondContact O-N 2.98Å; E10-S13 PolarHBondContact O-N 2.89Å; E10-S13 PolarHBondContact O-OG 2.94Å
11Q74.7Confident73.5Confident53 Ų5372.7 Ų72.725%0.24841%0.41CS..Hα-helixtrans-66.8-39.4174.4-72.1171.5-0.800111.3A7 I8 K14 V33A7-Q11 WeakPolarHBondContact O-CB 3Å; A7-Q11 VanDerWaalsContact O-CG 3.25Å; A7-Q11 WeakPolarHBondContact O-CG 3.44Å; A7-Q11 PolarHBondContact O-N 2.79Å; I8-Q11 PolarHBondContact O-N 2.88Å; Q11-K14 WeakPolarHBondContact O-CB 3.4Å; Q11-K14 PolarHBondContact O-N 3.26Å; Q11-V33 HydrophobicContact CB-CB 4.44Å; Q11-V33 HydrophobicContact CB-CG1 3.94Å; Q11-V33 HydrophobicContact CB-CG2 4.03Å
12M74Confident75.6Confident9 Ų963.7 Ų63.74%0.04437%0.369CS..Hα-helixtrans-70.5-31.3176.4-75.4-151.9137.500113.5I8 C9 K14 L15 T16 Y24 V33 I35 W53 F135I8-M12 HydrophobicContact CG2-CG 4.27Å; I8-M12 WeakPolarHBondContact O-CB 3.28Å; I8-M12 VanDerWaalsContact O-CG 3.31Å; I8-M12 WeakPolarHBondContact O-CG 3.26Å; I8-M12 PolarHBondContact O-N 3.05Å; C9-M12 PolarHBondContact O-N 2.99Å; M12-K14 PolarHBondContact O-N 2.8Å; M12-K14 VanDerWaalsContact O-N 3.17Å; M12-L15 CarbonylContact O-C 3.45Å; M12-L15 WeakPolarHBondContact O-CA 3.19Å; M12-L15 WeakPolarHBondContact O-CB 3.48Å; M12-L15 PolarHBondContact O-N 3.06Å; M12-T16 PolarHBondContact O-N 3.11Å; M12-Y24 HydrophobicContact CE-CE1 4.06Å; M12-Y24 WeakPolarHBondContact CE-OH 3.46Å; M12-V33 HydrophobicContact CG-CG1 4.46Å; M12-I35 HydrophobicContact CE-CD1 3.38Å; M12-I35 HydrophobicContact SD-CD1 4.17Å; M12-W53 HydrophobicContact CE-CH2 3.7Å; M12-W53 HydrophobicContact CE-CZ2 4.31Å; M12-W53 HydrophobicContact CE-CZ3 4Å; M12-W53 HydrophobicContact SD-CH2 3.3Å; M12-W53 WeakPolarHBondContact SD-CH2 3.42Å; M12-W53 HydrophobicContact SD-CZ2 3.68Å; M12-W53 HydrophobicContact SD-CZ3 4.19Å; M12-F135 HydrophobicContact SD-CE2 4.18Å
13S73.2Confident77.3Confident76 Ų7663.2 Ų63.253%0.53137%0.366SS..Hα-helixtrans-65.4-17174.461.30000112.8C9 E10 L15C9-S13 PolarHBondContact O-N 2.97Å; C9-S13 PolarHBondContact O-OG 3.4Å; E10-S13 PolarHBondContact O-N 2.89Å; E10-S13 PolarHBondContact O-OG 2.94Å; S13-L15 VanDerWaalsContact C-N 3.27Å
14K74.7Confident78.5Confident135 Ų13556.9 Ų56.959%0.58733%0.33SS*.THydrogen-bonded Turntrans-77.7-14.1169.5-59.9176.6-175.5176.60112.7Q11 M12 V31Q11-K14 WeakPolarHBondContact O-CB 3.4Å; Q11-K14 PolarHBondContact O-N 3.26Å; M12-K14 PolarHBondContact O-N 2.8Å; M12-K14 VanDerWaalsContact O-N 3.17Å; K14-V31 HydrophobicContact CB-CG2 4.34Å
15L74.1Confident79.5Confident20 Ų2053.3 Ų53.311%0.10532%0.32CS..THydrogen-bonded Turntrans-108.3-22.2-177.5-64.5172.4000112.9M12 S13 Y24 P25 L27 V31 V33M12-L15 CarbonylContact O-C 3.45Å; M12-L15 WeakPolarHBondContact O-CA 3.19Å; M12-L15 WeakPolarHBondContact O-CB 3.48Å; M12-L15 PolarHBondContact O-N 3.06Å; S13-L15 VanDerWaalsContact C-N 3.27Å; L15-Y24 HydrophobicContact CB-CD1 4Å; L15-Y24 HydrophobicContact CB-CE1 4.46Å; L15-P25 HydrophobicContact CD2-CG 4.24Å; L15-P25 WeakPolarHBondContact O-CD 3.24Å; L15-L27 HydrophobicContact CD2-CD2 4.46Å; L15-V31 HydrophobicContact CD2-CB 4.49Å; L15-V31 HydrophobicContact CD2-CG2 4.45Å; L15-V33 HydrophobicContact CD1-CG2 3.74Å
16T74.9Confident80.6Confident16 Ų1657.4 Ų57.410%0.09834%0.342CS..  trans-138.5140.7-179.964.40000112.4M12 N18 Y24 F135M12-T16 PolarHBondContact O-N 3.11Å; T16-N18 VanDerWaalsContact C-N 3.27Å; T16-N18 WeakPolarHBondContact CB-O 3.37Å; T16-N18 PolarHBondContact O-N 3Å; T16-N18 PolarHBondContact OG1-O 3.3Å; T16-Y24 HydrophobicContact CG2-CD1 3.36Å; T16-Y24 HydrophobicContact CG2-CE1 3.54Å; T16-F135 HydrophobicContact CG2-CD1 3.7Å; T16-F135 HydrophobicContact CG2-CE1 3.75Å; T16-F135 WeakPolarHBondContact OG1-CE1 3.43Å
17S70.1Confident81.6Confident137 Ų13758.5 Ų58.596%0.95834%0.34SS*.SBendtrans-72.5-21.1176.452.90000113.3
18N76.7Confident82.4Confident52 Ų5262.6 Ų62.628%0.27835%0.352SS..SBendtrans-114.7135.5176.2177.8-22.2000109.2T16 N20 F21T16-N18 VanDerWaalsContact C-N 3.27Å; T16-N18 WeakPolarHBondContact CB-O 3.37Å; T16-N18 PolarHBondContact O-N 3Å; T16-N18 PolarHBondContact OG1-O 3.3Å; N18-N20 VanDerWaalsContact C-N 3.32Å; N18-N20 PolarHBondContact O-N 3.28Å; N18-N20 PolarHBondContact OD1-N 3.3Å; N18-N20 VanDerWaalsContact OD1-N 3.1Å; N18-F21 VanDerWaalsContact CB-O 3.25Å; N18-F21 WeakPolarHBondContact CB-O 3.45Å; N18-F21 WeakPolarHBondContact ND2-CD1 3.28Å; N18-F21 WeakPolarHBondContact ND2-CE1 3.36Å; N18-F21 VanDerWaalsContact ND2-CZ 3.27Å; N18-F21 WeakPolarHBondContact ND2-CZ 3.38Å
19S81.7Confident83.3Confident81 Ų8167.9 Ų67.957%0.56639%0.39SS*.SBendtrans-72.8-21.1-17154.20000114.3
20N90.4Very high84.1Confident46 Ų4670.9 Ų70.925%0.24640%0.4CS..SBendtrans-119.1-26.5-171.6-66.3-9.4000113.7N18 S88 K133 F134N18-N20 VanDerWaalsContact C-N 3.32Å; N18-N20 PolarHBondContact O-N 3.28Å; N18-N20 PolarHBondContact OD1-N 3.3Å; N18-N20 VanDerWaalsContact OD1-N 3.1Å; N20-S88 PolarHBondContact ND2-O 3.26Å; N20-K133 CarbonylContact O-C 3.56Å; N20-K133 WeakPolarHBondContact O-CA 3.34Å; N20-K133 WeakPolarHBondContact O-CB 3.34Å; N20-F134 PolarHBondContact O-N 2.69Å
21F94.5Very high84.7Confident33 Ų3367.2 Ų67.215%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-152.7158177.170.7-83.8000114N18 D92 M93 F96 F134N18-F21 VanDerWaalsContact CB-O 3.25Å; N18-F21 WeakPolarHBondContact CB-O 3.45Å; N18-F21 WeakPolarHBondContact ND2-CD1 3.28Å; N18-F21 WeakPolarHBondContact ND2-CE1 3.36Å; N18-F21 VanDerWaalsContact ND2-CZ 3.27Å; N18-F21 WeakPolarHBondContact ND2-CZ 3.38Å; F21-D92 HydrophobicContact CZ-CB 4.15Å; F21-M93 HydrophobicContact CB-CE 4.17Å; F21-M93 HydrophobicContact CB-CG 3.86Å; F21-M93 HydrophobicContact CB-SD 4.17Å; F21-M93 HydrophobicContact CD1-CB 3.61Å; F21-M93 HydrophobicContact CD1-CG 3.7Å; F21-M93 HydrophobicContact CD1-SD 4Å; F21-M93 HydrophobicContact CD2-CB 4.47Å; F21-M93 HydrophobicContact CD2-CG 4.45Å; F21-M93 HydrophobicContact CE1-CB 3.73Å; F21-M93 HydrophobicContact CE1-CG 4.33Å; F21-M93 HydrophobicContact CG-CB 4.01Å; F21-M93 HydrophobicContact CG-CG 3.76Å; F21-M93 HydrophobicContact CG-SD 4.36Å; F21-M93 HydrophobicContact CZ-CB 4.23Å; F21-F96 HydrophobicContact CB-CD1 4.37Å; F21-F96 HydrophobicContact CD2-CB 3.87Å; F21-F96 AromaticContact CD2-CD1 3.63Å; F21-F96 HydrophobicContact CD2-CD1 3.63Å; F21-F96 HydrophobicContact CD2-CE1 4.32Å; F21-F96 AromaticContact CD2-CG 3.76Å; F21-F96 HydrophobicContact CD2-CG 3.76Å; F21-F96 HydrophobicContact CE2-CB 3.86Å; F21-F96 HydrophobicContact CE2-CD1 4.44Å; F21-F96 HydrophobicContact CE2-CG 4.14Å; F21-F96 HydrophobicContact CG-CD1 4.44Å; F21-F134 WeakPolarHBondContact CA-O 3.42Å; F21-F134 VanDerWaalsContact CB-O 3.3Å; F21-F134 WeakPolarHBondContact CB-O 3.39Å
22G94.6Very high85.4Confident14 Ų1473.3 Ų73.314%0.14441%0.412CS..EExtended strand (participates in β ladder)trans153-163.9174.700000112.2F96 F134 F135 V136G22-F96 VanDerWaalsContact C-CZ 3.46Å; G22-F96 WeakPolarHBondContact O-CZ 3.47Å; G22-F134 PolarHBondContact N-O 3.32Å; G22-F135 CarbonylContact O-C 3.32Å; G22-F135 VanDerWaalsContact O-CA 3.24Å; G22-F135 WeakPolarHBondContact O-CA 3.45Å; G22-V136 PolarHBondContact O-N 3.27Å
23S94.5Very high86Confident59 Ų5974.7 Ų74.741%0.41342%0.421SS..EExtended strand (participates in β ladder)trans-109.5138.4171.2-56.40000109.2V136S23-V136 WeakPolarHBondContact CA-O 3.31Å
24Y92.7Very high86.7Confident17 Ų1774.7 Ų74.77%0.06742%0.421CS..PPolyproline II helixtrans-66.5150.5168.4-61.5-45.5000109.9M12 L15 T16 L27 D107 F135 V136 V137M12-Y24 HydrophobicContact CE-CE1 4.06Å; M12-Y24 WeakPolarHBondContact CE-OH 3.46Å; L15-Y24 HydrophobicContact CB-CD1 4Å; L15-Y24 HydrophobicContact CB-CE1 4.46Å; T16-Y24 HydrophobicContact CG2-CD1 3.36Å; T16-Y24 HydrophobicContact CG2-CE1 3.54Å; Y24-L27 HydrophobicContact CD2-CD2 4.5Å; Y24-L27 HydrophobicContact CG-CD2 4.36Å; Y24-D107 HydrophobicContact CE2-CB 4.22Å; Y24-D107 WeakPolarHBondContact CE2-OD2 3.44Å; Y24-F135 HydrophobicContact CD1-CB 4.45Å; Y24-F135 HydrophobicContact CD2-CB 4.42Å; Y24-F135 HydrophobicContact CE1-CB 3.71Å; Y24-F135 AromaticContact CE1-CD1 3.87Å; Y24-F135 HydrophobicContact CE1-CD1 3.87Å; Y24-F135 HydrophobicContact CE1-CD2 4.28Å; Y24-F135 AromaticContact CE1-CG 3.69Å; Y24-F135 HydrophobicContact CE1-CG 3.69Å; Y24-F135 HydrophobicContact CE2-CB 3.68Å; Y24-F135 HydrophobicContact CE2-CG 4.45Å; Y24-F135 AromaticContact CZ-CD2 3.95Å; Y24-F135 AromaticContact CZ-CG 3.55Å; Y24-F135 WeakPolarHBondContact OH-CB 3.35Å; Y24-F135 WeakPolarHBondContact OH-CD2 3.41Å; Y24-F135 WeakPolarHBondContact OH-CG 3.49Å; Y24-V136 PolarHBondContact N-O 3.38Å; Y24-V137 HydrophobicContact CD2-CB 4.35Å; Y24-V137 HydrophobicContact CD2-CG2 3.91Å; Y24-V137 HydrophobicContact CE2-CG2 3.86Å
25P90.8Very high87.4Confident67 Ų6769.5 Ų69.544%0.43540%0.399SS..PPolyproline II helixtrans-60.2166.7158.331-37.1000108.8L15 L27L15-P25 HydrophobicContact CD2-CG 4.24Å; L15-P25 WeakPolarHBondContact O-CD 3.24Å; P25-L27 PolarHBondContact O-N 3.11Å
26L93.4Very high88.3Confident126 Ų12675.2 Ų75.266%0.6643%0.43SS*.PPolyproline II helixtrans-52.4118.3174-177.563.6000109.8Q28 Q30L26-Q28 HydrophobicContact CB-CG 4.26Å; L26-Q28 HydrophobicContact CD2-CG 3.73Å; L26-Q28 HydrophobicContact CG-CG 3.61Å; L26-Q28 PolarHBondContact O-N 2.94Å; L26-Q30 PolarHBondContact O-NE2 2.89Å
27L91.8Very high89.3Confident72 Ų7277.1 Ų77.138%0.37744%0.437SS..  trans-72.999.1178.3-60.3-175000108.9L15 Y24 P25 V137L15-L27 HydrophobicContact CD2-CD2 4.46Å; Y24-L27 HydrophobicContact CD2-CD2 4.5Å; Y24-L27 HydrophobicContact CG-CD2 4.36Å; P25-L27 PolarHBondContact O-N 3.11Å; L27-V137 HydrophobicContact CD1-CG1 3.79Å
28Q93.6Very high90.6Very high128 Ų12871.2 Ų71.260%0.59840%0.395SS*.SBendtrans-11736.4177.3-44.3171.5-69.600110.4L26 Q30L26-Q28 HydrophobicContact CB-CG 4.26Å; L26-Q28 HydrophobicContact CD2-CG 3.73Å; L26-Q28 HydrophobicContact CG-CG 3.61Å; L26-Q28 PolarHBondContact O-N 2.94Å; Q28-Q30 HydrophobicContact CB-CG 4.41Å; Q28-Q30 PolarHBondContact O-N 2.86Å; Q28-Q30 VanDerWaalsContact OE1-NE2 3.16Å
29S93.1Very high91.6Very high122 Ų12272.3 Ų72.385%0.85340%0.399SS*.SBendtrans59.327.3178.7-520000114.6V31S29-V31 VanDerWaalsContact C-N 3.32Å; S29-V31 PolarHBondContact O-N 2.92Å
30Q88.8Confident92.2Very high101 Ų10168.5 Ų68.547%0.47237%0.372SS..SBendtrans-72.1-27.8-178.2-4991.9-24.200112.6L26 Q28L26-Q30 PolarHBondContact O-NE2 2.89Å; Q28-Q30 HydrophobicContact CB-CG 4.41Å; Q28-Q30 PolarHBondContact O-N 2.86Å; Q28-Q30 VanDerWaalsContact OE1-NE2 3.16Å
31V86.8Confident92.3Very high47 Ų4770.8 Ų70.829%0.28538%0.384SS..SBendtrans-134.9124.5178-175.80000108.5K14 L15 S29 V33K14-V31 HydrophobicContact CB-CG2 4.34Å; L15-V31 HydrophobicContact CD2-CB 4.49Å; L15-V31 HydrophobicContact CD2-CG2 4.45Å; S29-V31 VanDerWaalsContact C-N 3.32Å; S29-V31 PolarHBondContact O-N 2.92Å; V31-V33 HydrophobicContact CG1-CG2 4Å; V31-V33 PolarHBondContact O-N 3.12Å
32K89.4Confident92.3Very high182 Ų18274.3 Ų74.379%0.79140%0.401SS*.  trans-82107.1170.2-175.4177.4179.5179.50108.9
33V86Confident92.3Very high37 Ų3774.1 Ų74.122%0.22440%0.396CS..  trans-101.3126.1173.1-166.70000108.8I8 Q11 M12 L15 V31 I35I8-V33 HydrophobicContact CG2-CG1 4.47Å; Q11-V33 HydrophobicContact CB-CB 4.44Å; Q11-V33 HydrophobicContact CB-CG1 3.94Å; Q11-V33 HydrophobicContact CB-CG2 4.03Å; M12-V33 HydrophobicContact CG-CG1 4.46Å; L15-V33 HydrophobicContact CD1-CG2 3.74Å; V31-V33 HydrophobicContact CG1-CG2 4Å; V31-V33 PolarHBondContact O-N 3.12Å; V33-I35 HydrophobicContact CG1-CD1 3.76Å; V33-I35 HydrophobicContact CG1-CG1 3.86Å; V33-I35 PolarHBondContact O-N 2.85Å
34S87.3Confident92.2Very high77 Ų7771.6 Ų71.654%0.53838%0.38SS..  trans-95.680.2-179.6-58.20000110.1
35I90.1Very high92.1Very high26 Ų2674 Ų7413%0.13340%0.399CS..  trans-102.5130.6173.2-70.9164.8000109I8 M12 V33 F37 W53I8-I35 HydrophobicContact CD1-CG1 4.2Å; I8-I35 HydrophobicContact CG1-CG1 4.26Å; I8-I35 HydrophobicContact CG2-CD1 3.85Å; I8-I35 HydrophobicContact CG2-CG1 3.68Å; M12-I35 HydrophobicContact CE-CD1 3.38Å; M12-I35 HydrophobicContact SD-CD1 4.17Å; V33-I35 HydrophobicContact CG1-CD1 3.76Å; V33-I35 HydrophobicContact CG1-CG1 3.86Å; V33-I35 PolarHBondContact O-N 2.85Å; I35-F37 HydrophobicContact CB-CD2 4.27Å; I35-F37 HydrophobicContact CB-CE2 3.82Å; I35-F37 HydrophobicContact CB-CZ 4.15Å; I35-F37 HydrophobicContact CD1-CZ 4.36Å; I35-F37 HydrophobicContact CG2-CD1 4.1Å; I35-F37 HydrophobicContact CG2-CD2 3.78Å; I35-F37 HydrophobicContact CG2-CE1 3.93Å; I35-F37 HydrophobicContact CG2-CE2 3.59Å; I35-F37 HydrophobicContact CG2-CG 4.04Å; I35-F37 HydrophobicContact CG2-CZ 3.67Å; I35-F37 PolarHBondContact O-N 3.38Å; I35-W53 HydrophobicContact CD1-CD2 4.31Å; I35-W53 HydrophobicContact CD1-CZ2 4.36Å; I35-W53 HydrophobicContact CG2-CB 3.49Å; I35-W53 VanDerWaalsContact CG2-CB 3.49Å; I35-W53 HydrophobicContact CG2-CD2 3.95Å; I35-W53 HydrophobicContact CG2-CG 3.41Å; I35-W53 VanDerWaalsContact CG2-CG 3.41Å
36N92.7Very high92.3Very high140 Ų14075.5 Ų75.575%0.74940%0.404SS*.  trans-87.1101.6167.7-170.318.7000109.4
37F96.4Very high92.4Very high55 Ų5571.8 Ų71.824%0.24138%0.381CS..BIsolated β-bridgetrans-79.9128.1174.3-69.6-82.1000109.7I35 W53 R55 D107I35-F37 HydrophobicContact CB-CD2 4.27Å; I35-F37 HydrophobicContact CB-CE2 3.82Å; I35-F37 HydrophobicContact CB-CZ 4.15Å; I35-F37 HydrophobicContact CD1-CZ 4.36Å; I35-F37 HydrophobicContact CG2-CD1 4.1Å; I35-F37 HydrophobicContact CG2-CD2 3.78Å; I35-F37 HydrophobicContact CG2-CE1 3.93Å; I35-F37 HydrophobicContact CG2-CE2 3.59Å; I35-F37 HydrophobicContact CG2-CG 4.04Å; I35-F37 HydrophobicContact CG2-CZ 3.67Å; I35-F37 PolarHBondContact O-N 3.38Å; F37-W53 CarbonylContact C-O 3.6Å; F37-W53 WeakPolarHBondContact CA-O 3.47Å; F37-W53 HydrophobicContact CD1-CB 3.82Å; F37-W53 HydrophobicContact CE1-CB 4.07Å; F37-W53 HydrophobicContact CE1-CE3 4.14Å; F37-R55 HydrophobicContact CD1-CB 3.73Å; F37-R55 HydrophobicContact CE1-CB 3.94Å; F37-R55 HydrophobicContact CG-CB 4.24Å; F37-D107 HydrophobicContact CE1-CB 4.28Å; F37-D107 WeakPolarHBondContact CZ-OD2 3.24Å
38V97.4Very high92.5Very high13 Ų1370.4 Ų70.48%0.07938%0.381CS..PPolyproline II helixtrans-80.6126.1173.2-179.90000108.5L43 Y47 V52 W53 L54V38-L43 HydrophobicContact CG1-CD1 3.96Å; V38-Y47 HydrophobicContact CG1-CE1 4.09Å; V38-Y47 HydrophobicContact CG1-CE2 4.18Å; V38-Y47 HydrophobicContact CG2-CE1 3.94Å; V38-V52 HydrophobicContact CB-CB 4.46Å; V38-V52 HydrophobicContact CG2-CB 3.94Å; V38-V52 HydrophobicContact CG2-CG1 3.88Å; V38-W53 PolarHBondContact N-O 3Å; V38-L54 HydrophobicContact CB-CD2 4Å; V38-L54 WeakPolarHBondContact O-CD2 3.49Å
39E96.8Very high92.7Very high76 Ų7666.7 Ų66.736%0.35538%0.377SS..PPolyproline II helixtrans-65.7134.4171.6-65.2-65.314100109.8N41 Q42 Q74E39-N41 VanDerWaalsContact C-N 3.28Å; E39-N41 WeakPolarHBondContact CB-OD1 3.49Å; E39-N41 PolarHBondContact O-N 3Å; E39-Q42 HydrophobicContact CB-CG 4.22Å; E39-Q42 WeakPolarHBondContact O-CB 3.47Å; E39-Q42 PolarHBondContact O-N 2.79Å; E39-Q74 PolarHBondContact OE2-NE2 3.1Å; E39-Q74 PolarHBondContact OE2-OE1 2.92Å
40L96.2Very high92.9Very high0 Ų066.2 Ų66.20%036%0.359CS..G310 helixtrans-58.8-40.5-174.8-69.5-168.5000111.8Q42 L43 L54 V72 Q74 V79 I124L40-Q42 PolarHBondContact O-N 3.48Å; L40-L43 VanDerWaalsContact O-CB 3.23Å; L40-L43 WeakPolarHBondContact O-CB 3.41Å; L40-L43 PolarHBondContact O-N 3.23Å; L40-L54 HydrophobicContact CD2-CB 4.45Å; L40-L54 HydrophobicContact CD2-CD1 3.93Å; L40-L54 HydrophobicContact CD2-CD2 4.07Å; L40-L54 HydrophobicContact CD2-CG 4.38Å; L40-V72 HydrophobicContact CD1-CG1 4.22Å; L40-Q74 HydrophobicContact CB-CB 4.08Å; L40-Q74 HydrophobicContact CD1-CB 3.47Å; L40-Q74 VanDerWaalsContact CD1-CB 3.47Å; L40-Q74 HydrophobicContact CG-CB 3.64Å; L40-V79 HydrophobicContact CD1-CG1 4.25Å; L40-V79 HydrophobicContact CD2-CG1 3.65Å; L40-I124 HydrophobicContact CB-CD1 4.35Å; L40-I124 WeakPolarHBondContact O-CD1 3.26Å
41N91.9Very high93.3Very high95 Ų9566.2 Ų66.251%0.50836%0.358SS..G310 helixtrans-64-11.9-179.569.2-12.9000114.4E39 S77E39-N41 VanDerWaalsContact C-N 3.28Å; E39-N41 WeakPolarHBondContact CB-OD1 3.49Å; E39-N41 PolarHBondContact O-N 3Å; N41-S77 WeakPolarHBondContact CB-OG 3.05Å
42Q94.1Very high93.8Very high106 Ų10664.4 Ų64.450%0.49535%0.347SS..G310 helixtrans-94.1-11.6174.1-59.4-179.73.600112.8E39 L40 N46 Y47E39-Q42 HydrophobicContact CB-CG 4.22Å; E39-Q42 WeakPolarHBondContact O-CB 3.47Å; E39-Q42 PolarHBondContact O-N 2.79Å; L40-Q42 PolarHBondContact O-N 3.48Å; Q42-N46 PolarHBondContact O-ND2 2.87Å; Q42-Y47 HydrophobicContact CB-CE2 4.48Å; Q42-Y47 WeakPolarHBondContact O-CD2 3.45Å; Q42-Y47 VanDerWaalsContact O-CE2 3.22Å; Q42-Y47 WeakPolarHBondContact O-CE2 3.2Å
43L94.5Very high94.2Very high10 Ų1056.2 Ų56.25%0.05231%0.311CS..  trans-74.1135.2-177.4-149.895.4000110.4V38 L40 V52 L54 V79 V112 I124 V127 V129V38-L43 HydrophobicContact CG1-CD1 3.96Å; L40-L43 VanDerWaalsContact O-CB 3.23Å; L40-L43 WeakPolarHBondContact O-CB 3.41Å; L40-L43 PolarHBondContact O-N 3.23Å; L43-V52 HydrophobicContact CD1-CG2 4.24Å; L43-L54 HydrophobicContact CD1-CD2 3.94Å; L43-V79 HydrophobicContact CD2-CB 4.47Å; L43-V79 HydrophobicContact CD2-CG2 3.75Å; L43-V112 HydrophobicContact CD1-CG2 4.04Å; L43-V112 HydrophobicContact CD2-CG2 4.48Å; L43-V112 HydrophobicContact CG-CG2 4.44Å; L43-I124 HydrophobicContact CB-CD1 3.86Å; L43-V127 HydrophobicContact CD2-CG2 3.92Å; L43-V127 HydrophobicContact CG-CG2 4.47Å; L43-V129 HydrophobicContact CD2-CG2 3.99Å
44G91.6Very high94.7Very high7 Ų754.5 Ų54.57%0.07230%0.3CS..SBendtrans-179.4-163.6179.800000110.9N46 Y47G44-N46 WeakPolarHBondContact CA-OD1 3.21Å; G44-N46 PolarHBondContact N-OD1 2.77Å; G44-N46 PolarHBondContact O-N 2.85Å; G44-N46 VanDerWaalsContact O-N 3.11Å; G44-N46 PolarHBondContact O-OD1 3.08Å; G44-Y47 PolarHBondContact O-N 3.4Å
45S91.2Very high95.3Very high66 Ų6654.9 Ų54.946%0.46229%0.29SS..G310 helixtrans-59.5-23.7-179.6-55.50000113.7Y47 A48 N126S45-Y47 PolarHBondContact O-N 2.95Å; S45-A48 VanDerWaalsContact O-CB 3.31Å; S45-A48 WeakPolarHBondContact O-CB 3.35Å; S45-A48 PolarHBondContact O-N 3.02Å; S45-A48 VanDerWaalsContact O-N 3.1Å; S45-N126 PolarHBondContact OG-ND2 2.97Å
46N94.3Very high95.6Very high100 Ų10054 Ų5454%0.53529%0.287SS..G310 helixtrans-61.9-16.4171.960-37.4000114.1Q42 G44 K50Q42-N46 PolarHBondContact O-ND2 2.87Å; G44-N46 WeakPolarHBondContact CA-OD1 3.21Å; G44-N46 PolarHBondContact N-OD1 2.77Å; G44-N46 PolarHBondContact O-N 2.85Å; G44-N46 VanDerWaalsContact O-N 3.11Å; G44-N46 PolarHBondContact O-OD1 3.08Å; N46-K50 PolarHBondContact O-NZ 2.92Å
47Y96.3Very high95.9Very high47 Ų4750.3 Ų50.318%0.18426%0.263CS..G310 helixtrans-103.8-0.7175.1-77.1-87.8000114V38 Q42 G44 S45 G49 K50 V52 V112V38-Y47 HydrophobicContact CG1-CE1 4.09Å; V38-Y47 HydrophobicContact CG1-CE2 4.18Å; V38-Y47 HydrophobicContact CG2-CE1 3.94Å; Q42-Y47 HydrophobicContact CB-CE2 4.48Å; Q42-Y47 WeakPolarHBondContact O-CD2 3.45Å; Q42-Y47 VanDerWaalsContact O-CE2 3.22Å; Q42-Y47 WeakPolarHBondContact O-CE2 3.2Å; G44-Y47 PolarHBondContact O-N 3.4Å; S45-Y47 PolarHBondContact O-N 2.95Å; Y47-G49 PolarHBondContact O-N 3.38Å; Y47-K50 HydrophobicContact CD1-CD 3.98Å; Y47-K50 VanDerWaalsContact O-CB 3.24Å; Y47-K50 WeakPolarHBondContact O-CB 3.47Å; Y47-K50 PolarHBondContact O-N 3.47Å; Y47-V52 HydrophobicContact CD1-CG1 3.74Å; Y47-V52 HydrophobicContact CE1-CG1 4.23Å; Y47-V112 WeakPolarHBondContact O-CB 3.43Å
48A95.2Very high96Very high44 Ų4447.7 Ų47.736%0.36425%0.251SS..THydrogen-bonded Turntrans-53.3132.2-178.500000112.5S45 K50 T114S45-A48 VanDerWaalsContact O-CB 3.31Å; S45-A48 WeakPolarHBondContact O-CB 3.35Å; S45-A48 PolarHBondContact O-N 3.02Å; S45-A48 VanDerWaalsContact O-N 3.1Å; A48-K50 PolarHBondContact O-N 3.28Å; A48-T114 HydrophobicContact CB-CG2 3.77Å
49G96.7Very high96Very high50 Ų5048.4 Ų48.452%0.51525%0.254SS..THydrogen-bonded Turntrans75.8-3.9-176.100000115.1Y47 V112Y47-G49 PolarHBondContact O-N 3.38Å; G49-V112 PolarHBondContact N-O 3.24Å
50K97.3Very high96Very high112 Ų11246.5 Ų46.549%0.48725%0.247SC..  trans-88.4143.3176.7-59.1-178.6-174.8157.80110.5N46 Y47 A48 E111 V112N46-K50 PolarHBondContact O-NZ 2.92Å; Y47-K50 HydrophobicContact CD1-CD 3.98Å; Y47-K50 VanDerWaalsContact O-CB 3.24Å; Y47-K50 WeakPolarHBondContact O-CB 3.47Å; Y47-K50 PolarHBondContact O-N 3.47Å; A48-K50 PolarHBondContact O-N 3.28Å; K50-E111 WeakPolarHBondContact O-CA 3.46Å; K50-V112 PolarHBondContact O-N 2.8Å
51K96.9Very high95.9Very high101 Ų10148.3 Ų48.344%0.43926%0.26SS..EExtended strand (participates in β ladder)trans-87.5131.1167-60.8-170.3-178.6-163.50110Y109 G110 E111 E132K51-Y109 HydrophobicContact CB-CE2 3.84Å; K51-Y109 WeakPolarHBondContact CB-OH 3.44Å; K51-Y109 HydrophobicContact CD-CE1 4.08Å; K51-Y109 VanDerWaalsContact CD-OH 3.24Å; K51-Y109 WeakPolarHBondContact CD-OH 3.41Å; K51-G110 CarbonylContact C-O 3.49Å; K51-G110 VanDerWaalsContact CA-O 3.26Å; K51-G110 WeakPolarHBondContact CA-O 3.38Å; K51-E111 HydrophobicContact CG-CB 4.22Å; K51-E132 WeakPolarHBondContact CE-OE1 3.41Å; K51-E132 IonicContact NZ-OE1 2.63Å; K51-E132 PolarHBondContact NZ-OE1 3Å; K51-E132 IonicContact NZ-OE2 2.89Å; K51-E132 PolarHBondContact NZ-OE2 2.64Å
52V97.3Very high96.1Very high9 Ų952.5 Ų52.56%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-132.1151.1-174.2-61.60000111V38 L43 Y47 L54 Y109 G110 V112V38-V52 HydrophobicContact CB-CB 4.46Å; V38-V52 HydrophobicContact CG2-CB 3.94Å; V38-V52 HydrophobicContact CG2-CG1 3.88Å; L43-V52 HydrophobicContact CD1-CG2 4.24Å; Y47-V52 HydrophobicContact CD1-CG1 3.74Å; Y47-V52 HydrophobicContact CE1-CG1 4.23Å; V52-L54 HydrophobicContact CB-CD2 4.43Å; V52-L54 HydrophobicContact CG2-CD2 3.86Å; V52-L54 HydrophobicContact CG2-CG 4.06Å; V52-Y109 WeakPolarHBondContact O-CA 3.31Å; V52-Y109 WeakPolarHBondContact O-CD2 3.45Å; V52-G110 PolarHBondContact N-O 3.32Å; V52-G110 PolarHBondContact O-N 2.81Å; V52-G110 VanDerWaalsContact O-N 3.12Å; V52-V112 HydrophobicContact CG1-CG2 4.09Å; V52-V112 HydrophobicContact CG2-CG2 3.59Å
53W97.6Very high96.1Very high9 Ų950 Ų503%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-96.1131.6164.3-81.296.2000109.3I8 M12 I35 F37 V38 D107 I108 Y109 K133 F135I8-W53 HydrophobicContact CG2-CZ2 4.42Å; M12-W53 HydrophobicContact CE-CH2 3.7Å; M12-W53 HydrophobicContact CE-CZ2 4.31Å; M12-W53 HydrophobicContact CE-CZ3 4Å; M12-W53 HydrophobicContact SD-CH2 3.3Å; M12-W53 WeakPolarHBondContact SD-CH2 3.42Å; M12-W53 HydrophobicContact SD-CZ2 3.68Å; M12-W53 HydrophobicContact SD-CZ3 4.19Å; I35-W53 HydrophobicContact CD1-CD2 4.31Å; I35-W53 HydrophobicContact CD1-CZ2 4.36Å; I35-W53 HydrophobicContact CG2-CB 3.49Å; I35-W53 VanDerWaalsContact CG2-CB 3.49Å; I35-W53 HydrophobicContact CG2-CD2 3.95Å; I35-W53 HydrophobicContact CG2-CG 3.41Å; I35-W53 VanDerWaalsContact CG2-CG 3.41Å; F37-W53 CarbonylContact C-O 3.6Å; F37-W53 WeakPolarHBondContact CA-O 3.47Å; F37-W53 HydrophobicContact CD1-CB 3.82Å; F37-W53 HydrophobicContact CE1-CB 4.07Å; F37-W53 HydrophobicContact CE1-CE3 4.14Å; V38-W53 PolarHBondContact N-O 3Å; W53-D107 HydrophobicContact CE3-CB 4.39Å; W53-D107 HydrophobicContact CZ3-CB 4.15Å; W53-I108 CarbonylContact C-O 3.55Å; W53-I108 WeakPolarHBondContact CA-O 3.37Å; W53-Y109 AromaticContact CD1-CD2 3.48Å; W53-Y109 VanDerWaalsContact CD1-CD2 3.48Å; W53-Y109 AromaticContact CD1-CE2 3.95Å; W53-Y109 AromaticContact CD2-CD2 3.91Å; W53-Y109 HydrophobicContact CD2-CD2 3.91Å; W53-Y109 HydrophobicContact CD2-CG 4.25Å; W53-Y109 AromaticContact CE2-CD2 3.58Å; W53-Y109 AromaticContact CE2-CG 3.84Å; W53-Y109 AromaticContact CG-CD2 3.86Å; W53-Y109 HydrophobicContact CG-CD2 3.86Å; W53-Y109 HydrophobicContact CZ2-CD2 4.23Å; W53-Y109 HydrophobicContact CZ2-CG 4.04Å; W53-Y109 AromaticContact NE1-CD2 3.28Å; W53-Y109 VanDerWaalsContact NE1-CD2 3.28Å; W53-Y109 AromaticContact NE1-CE2 3.76Å; W53-Y109 AromaticContact NE1-CG 3.98Å; W53-K133 HydrophobicContact CH2-CD 4.38Å; W53-K133 HydrophobicContact CZ2-CD 4.46Å; W53-F135 HydrophobicContact CH2-CD2 4.16Å; W53-F135 AromaticContact CH2-CE2 3.94Å; W53-F135 HydrophobicContact CH2-CE2 3.94Å; W53-F135 HydrophobicContact CZ3-CD2 4.19Å; W53-F135 HydrophobicContact CZ3-CE2 4.42Å
54L98Very high96Very high1 Ų156.8 Ų56.81%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-122137.9176.3-53.8-178.8000109.1V38 L40 L43 V52 V79 D107 I108 V129V38-L54 HydrophobicContact CB-CD2 4Å; V38-L54 WeakPolarHBondContact O-CD2 3.49Å; L40-L54 HydrophobicContact CD2-CB 4.45Å; L40-L54 HydrophobicContact CD2-CD1 3.93Å; L40-L54 HydrophobicContact CD2-CD2 4.07Å; L40-L54 HydrophobicContact CD2-CG 4.38Å; L43-L54 HydrophobicContact CD1-CD2 3.94Å; V52-L54 HydrophobicContact CB-CD2 4.43Å; V52-L54 HydrophobicContact CG2-CD2 3.86Å; V52-L54 HydrophobicContact CG2-CG 4.06Å; L54-V79 HydrophobicContact CD1-CG1 4.3Å; L54-D107 CarbonylContact O-C 3.13Å; L54-D107 VanDerWaalsContact O-CA 3.31Å; L54-D107 WeakPolarHBondContact O-CA 3.22Å; L54-I108 PolarHBondContact N-O 2.94Å; L54-I108 PolarHBondContact O-N 2.94Å; L54-V129 HydrophobicContact CD1-CG2 3.87Å
55R98.1Very high96Very high86 Ų8660.3 Ų60.333%0.32533%0.331SS..EExtended strand (participates in β ladder)trans-118.3125.6167.8175.6168.4-74-175.7-1.8108.9F37 I105 I106 D107F37-R55 HydrophobicContact CD1-CB 3.73Å; F37-R55 HydrophobicContact CE1-CB 3.94Å; F37-R55 HydrophobicContact CG-CB 4.24Å; R55-I105 HydrophobicContact CG-CG2 4.2Å; R55-I106 WeakPolarHBondContact CA-O 3.48Å; R55-D107 WeakPolarHBondContact CB-OD1 3.16Å; R55-D107 WeakPolarHBondContact CG-OD1 3.35Å; R55-D107 IonicContact CZ-OD1 3.7Å; R55-D107 IonicContact CZ-OD2 3.11Å; R55-D107 IonicContact NE-OD1 3.83Å; R55-D107 PolarHBondContact NE-OD1 3.3Å; R55-D107 IonicContact NE-OD2 3.2Å; R55-D107 IonicContact NH2-OD1 2.75Å; R55-D107 PolarHBondContact NH2-OD1 3.4Å; R55-D107 IonicContact NH2-OD2 3.28Å; R55-D107 PolarHBondContact NH2-OD2 3.17Å
56G98.3Very high96.2Very high7 Ų763.7 Ų63.77%0.07234%0.338CS..EExtended strand (participates in β ladder)trans-162.4-172.6-179.300000112.6I105 I106G56-I105 WeakPolarHBondContact O-CA 3.36Å; G56-I106 PolarHBondContact N-O 3.06Å; G56-I106 WeakPolarHBondContact O-CG1 3.49Å; G56-I106 PolarHBondContact O-N 3.12Å
57R98.4Very high96.3Very high62 Ų6260.3 Ų60.323%0.23432%0.321CS..EExtended strand (participates in β ladder)trans-93139.9172.3-66.2-173.4177.9-74.4-2110H59 V72 R73 E103 S104 R178R57-H59 PolarHBondContact O-N 3.44Å; R57-H59 VanDerWaalsContact O-N 3.09Å; R57-V72 WeakPolarHBondContact O-CA 3.39Å; R57-R73 PolarHBondContact N-O 2.96Å; R57-R73 PolarHBondContact O-N 2.81Å; R57-E103 VanDerWaalsContact CD-OE2 3.31Å; R57-E103 WeakPolarHBondContact CD-OE2 3.29Å; R57-E103 IonicContact NE-OE2 2.68Å; R57-E103 PolarHBondContact NH1-O 2.97Å; R57-S104 CarbonylContact C-O 3.48Å; R57-S104 WeakPolarHBondContact CA-O 3.28Å; R57-R178 VanDerWaalsContact CZ-CZ 3.47Å; R57-R178 VanDerWaalsContact CZ-NH1 3.33Å; R57-R178 VanDerWaalsContact NH1-NH1 3.17Å
58L98.1Very high96.3Very high0 Ų058.1 Ų58.10%031%0.312CS..EExtended strand (participates in β ladder)trans-68.5103.3163.7-169152.5000108V70 I100 R102 E103 S104 I106 F134L58-V70 HydrophobicContact CD1-CG1 4.25Å; L58-V70 HydrophobicContact CG-CG1 3.98Å; L58-I100 HydrophobicContact CD1-CB 3.83Å; L58-I100 HydrophobicContact CD1-CD1 4.42Å; L58-I100 HydrophobicContact CD1-CG2 3.78Å; L58-R102 HydrophobicContact CD2-CG 4.43Å; L58-E103 PolarHBondContact O-N 3.47Å; L58-S104 PolarHBondContact N-O 3.33Å; L58-I106 HydrophobicContact CB-CD1 3.96Å; L58-I106 HydrophobicContact CB-CG2 4.34Å; L58-F134 HydrophobicContact CD1-CZ 4.25Å
59H97.4Very high96.4Very high29 Ų2959.3 Ų59.313%0.13431%0.309CS..EExtended strand (participates in β ladder)trans-77.3-57.9178.2-174.544.3000109.8R57 I71 R73 E149R57-H59 PolarHBondContact O-N 3.44Å; R57-H59 VanDerWaalsContact O-N 3.09Å; H59-I71 HydrophobicContact CB-CB 4.19Å; H59-I71 HydrophobicContact CB-CG2 4.01Å; H59-I71 WeakPolarHBondContact CB-O 3.49Å; H59-I71 PolarHBondContact N-O 3.04Å; H59-R73 HydrophobicContact CB-CB 3.99Å; H59-E149 IonicContact CE1-OE1 3.78Å; H59-E149 PolarHBondContact CE1-OE1 3.19Å; H59-E149 IonicContact ND1-OE1 2.74Å; H59-E149 PolarHBondContact ND1-OE1 2.95Å; H59-E149 IonicContact NE2-OE1 3.59Å
60T95.7Very high96.5Very high36 Ų3656.9 Ų56.922%0.22129%0.285CS..EExtended strand (participates in β ladder)trans-140.3153.7173.760.80000110.5V70 I71 E149T60-V70 CarbonylContact O-C 3.14Å; T60-V70 WeakPolarHBondContact O-CA 3.23Å; T60-I71 PolarHBondContact O-N 3.03Å; T60-I71 WeakPolarHBondContact OG1-CD1 3.41Å; T60-E149 VanDerWaalsContact CG2-OE1 3.22Å; T60-E149 WeakPolarHBondContact CG2-OE1 3.34Å
61S95.7Very high96.5Very high38 Ų3852.5 Ų52.527%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-135.8133.1173.457.10000109.7F69S61-F69 CarbonylContact C-O 3.53Å; S61-F69 WeakPolarHBondContact CA-O 2.9Å
62R95Very high96.6Very high182 Ų18247.8 Ų47.869%0.68725%0.246SC*.EExtended strand (participates in β ladder)trans-136.8108.9179.8-174.1-177.5-177179.54110.4C68 F69R62-C68 WeakPolarHBondContact O-CA 3.41Å; R62-F69 PolarHBondContact N-O 2.92Å; R62-F69 PolarHBondContact O-N 3.12Å
63A94.2Very high96.6Very high54 Ų5447.6 Ų47.645%0.44624%0.244SC..EExtended strand (participates in β ladder)trans-86139.5168.300000112T67 C68 S98A63-T67 WeakPolarHBondContact CA-O 3.22Å; A63-C68 HydrophobicContact CB-CB 4.37Å; A63-S98 VanDerWaalsContact CB-OG 3.29Å; A63-S98 WeakPolarHBondContact CB-OG 3.48Å
64K92.9Very high96.6Very high153 Ų15348.9 Ų48.967%0.66525%0.25SS*.EExtended strand (participates in β ladder)trans-141.8102.3172.5-171.3180179.8-1760109.3K66 T67K64-K66 PolarHBondContact O-N 3.47Å; K64-K66 VanDerWaalsContact O-N 3.11Å; K64-T67 CarbonylContact C-O 3.59Å; K64-T67 PolarHBondContact N-O 2.95Å; K64-T67 PolarHBondContact O-N 3.09Å
65G91.6Very high96.3Very high80 Ų8052.8 Ų52.883%0.82527%0.269SS*.THydrogen-bonded Turntrans62.6-111.1178.300000112.6
66K95.2Very high95.8Very high138 Ų13850.7 Ų50.760%0.626%0.262SS*.THydrogen-bonded Turntrans-96.310179.1-71-172.7-178.7-178.30113.6K64 V85K64-K66 PolarHBondContact O-N 3.47Å; K64-K66 VanDerWaalsContact O-N 3.11Å; K66-V85 HydrophobicContact CB-CB 4.07Å; K66-V85 HydrophobicContact CB-CG2 4.24Å; K66-V85 HydrophobicContact CG-CB 4.36Å; K66-V85 WeakPolarHBondContact O-CG2 3.49Å; K66-V85 PolarHBondContact O-N 3.26Å
67T96.2Very high95.6Very high29 Ų2950.7 Ų50.718%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-125.9145-177.5-51.70000110.3A63 K64 F69 V82 M83 F84A63-T67 WeakPolarHBondContact CA-O 3.22Å; K64-T67 CarbonylContact C-O 3.59Å; K64-T67 PolarHBondContact N-O 2.95Å; K64-T67 PolarHBondContact O-N 3.09Å; T67-F69 HydrophobicContact CG2-CD2 4.13Å; T67-F69 HydrophobicContact CG2-CE1 4.46Å; T67-F69 HydrophobicContact CG2-CE2 3.5Å; T67-F69 HydrophobicContact CG2-CZ 3.7Å; T67-V82 HydrophobicContact CG2-CG2 3.86Å; T67-M83 CarbonylContact C-O 3.53Å; T67-M83 VanDerWaalsContact CA-O 3.28Å; T67-M83 WeakPolarHBondContact CA-O 3.13Å; T67-M83 WeakPolarHBondContact CG2-O 3.25Å; T67-F84 HydrophobicContact CG2-CD1 3.82Å; T67-F84 HydrophobicContact CG2-CE1 3.64Å; T67-F84 HydrophobicContact CG2-CZ 4.37Å
68C96.9Very high95.5Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-134.3129.1170.3-179.20000109.9R62 A63 V82 M83 L94R62-C68 WeakPolarHBondContact O-CA 3.41Å; A63-C68 HydrophobicContact CB-CB 4.37Å; C68-V82 WeakPolarHBondContact O-CA 3.38Å; C68-M83 HydrophobicContact CB-CE 3.65Å; C68-M83 PolarHBondContact N-O 2.91Å; C68-M83 PolarHBondContact O-N 2.87Å; C68-L94 HydrophobicContact CB-CD2 4.04Å; C68-L94 HydrophobicContact CB-CG 3.79Å
69F97.5Very high95.5Very high69 Ų6948.5 Ų48.530%0.30326%0.255SS..EExtended strand (participates in β ladder)trans-104.1134.6175.1-62.4-89000109S61 R62 T67 Q80 T81 V82S61-F69 CarbonylContact C-O 3.53Å; S61-F69 WeakPolarHBondContact CA-O 2.9Å; R62-F69 PolarHBondContact N-O 2.92Å; R62-F69 PolarHBondContact O-N 3.12Å; T67-F69 HydrophobicContact CG2-CD2 4.13Å; T67-F69 HydrophobicContact CG2-CE1 4.46Å; T67-F69 HydrophobicContact CG2-CE2 3.5Å; T67-F69 HydrophobicContact CG2-CZ 3.7Å; F69-Q80 HydrophobicContact CD1-CG 4.34Å; F69-T81 WeakPolarHBondContact CA-O 3.3Å; F69-V82 HydrophobicContact CD1-CB 4.1Å; F69-V82 HydrophobicContact CD1-CG2 3.8Å; F69-V82 HydrophobicContact CE1-CB 4.19Å; F69-V82 HydrophobicContact CE1-CG2 3.57Å; F69-V82 HydrophobicContact CZ-CG2 4.13Å
70V98.3Very high95.6Very high0 Ų048.7 Ų48.70%026%0.256CS..EExtended strand (participates in β ladder)trans-131.2126.8176176.50000108.8L58 T60 V72 T81 M83 V97 I106 F134L58-V70 HydrophobicContact CD1-CG1 4.25Å; L58-V70 HydrophobicContact CG-CG1 3.98Å; T60-V70 CarbonylContact O-C 3.14Å; T60-V70 WeakPolarHBondContact O-CA 3.23Å; V70-V72 HydrophobicContact CG1-CG2 4.41Å; V70-T81 WeakPolarHBondContact CB-OG1 3.09Å; V70-T81 PolarHBondContact N-O 2.9Å; V70-T81 PolarHBondContact O-N 3.39Å; V70-T81 PolarHBondContact O-OG1 2.97Å; V70-M83 HydrophobicContact CG2-CE 4.11Å; V70-V97 HydrophobicContact CG2-CG1 3.64Å; V70-I106 HydrophobicContact CG1-CD1 4.33Å; V70-F134 HydrophobicContact CG1-CE2 4.35Å; V70-F134 HydrophobicContact CG2-CE2 4.29Å
71I98.2Very high95.7Very high20 Ų2047 Ų4710%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-88.8121.3169.5-60.5-178.7000107.9H59 T60 T78 V79H59-I71 HydrophobicContact CB-CB 4.19Å; H59-I71 HydrophobicContact CB-CG2 4.01Å; H59-I71 WeakPolarHBondContact CB-O 3.49Å; H59-I71 PolarHBondContact N-O 3.04Å; T60-I71 PolarHBondContact O-N 3.03Å; T60-I71 WeakPolarHBondContact OG1-CD1 3.41Å; I71-T78 HydrophobicContact CG2-CG2 4.13Å; I71-V79 WeakPolarHBondContact CA-O 3.44Å
72V98.4Very high95.8Very high1 Ų145.2 Ų45.21%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-97.3130.5174.9-173.40000107.9L40 R57 V70 T78 V79 T81 I106 I108L40-V72 HydrophobicContact CD1-CG1 4.22Å; R57-V72 WeakPolarHBondContact O-CA 3.39Å; V70-V72 HydrophobicContact CG1-CG2 4.41Å; V72-T78 VanDerWaalsContact O-CA 3.28Å; V72-T78 WeakPolarHBondContact O-CA 3.45Å; V72-V79 HydrophobicContact CB-CG1 4.14Å; V72-V79 PolarHBondContact N-O 2.85Å; V72-V79 PolarHBondContact O-N 3.25Å; V72-T81 HydrophobicContact CB-CG2 4.48Å; V72-T81 HydrophobicContact CG2-CG2 3.51Å; V72-I106 HydrophobicContact CG2-CD1 4.13Å; V72-I108 HydrophobicContact CG2-CD1 3.35Å
73R97.8Very high95.9Very high6 Ų636.6 Ų36.62%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-117.6133.8178.1-173.9176.564.283.7-6111.2R57 H59 Q75 S77 T78 E103 R178R57-R73 PolarHBondContact N-O 2.96Å; R57-R73 PolarHBondContact O-N 2.81Å; H59-R73 HydrophobicContact CB-CB 3.99Å; R73-Q75 PolarHBondContact NH1-O 2.74Å; R73-S77 CarbonylContact C-O 3.51Å; R73-S77 WeakPolarHBondContact CA-O 3.3Å; R73-T78 HydrophobicContact CB-CG2 3.81Å; R73-T78 HydrophobicContact CG-CG2 3.67Å; R73-E103 IonicContact CZ-OE1 3.07Å; R73-E103 IonicContact NE-OE1 3.73Å; R73-E103 VanDerWaalsContact NH2-CD 3.28Å; R73-E103 IonicContact NH2-OE1 2.73Å; R73-E103 PolarHBondContact NH2-OE1 2.83Å; R73-E103 IonicContact NH2-OE2 2.82Å; R73-E103 PolarHBondContact NH2-OE2 3.17Å; R73-R178 PolarHBondContact NH1-O 3.26Å
74Q96.7Very high96Very high36 Ų3638.8 Ų38.817%0.16820%0.2CC..EExtended strand (participates in β ladder)trans-131.8109.5170.8-166.7-170.229.500107.2E39 L40 H76 S77E39-Q74 PolarHBondContact OE2-NE2 3.1Å; E39-Q74 PolarHBondContact OE2-OE1 2.92Å; L40-Q74 HydrophobicContact CB-CB 4.08Å; L40-Q74 HydrophobicContact CD1-CB 3.47Å; L40-Q74 VanDerWaalsContact CD1-CB 3.47Å; L40-Q74 HydrophobicContact CG-CB 3.64Å; Q74-H76 PolarHBondContact O-N 2.85Å; Q74-S77 PolarHBondContact N-O 3.05Å; Q74-S77 PolarHBondContact O-N 3.43Å
75Q92.2Very high96.1Very high83 Ų8333.4 Ų33.439%0.38818%0.18SC..THydrogen-bonded Turntrans56.4-117.7-174.2-54.7168.19.300110.7R73 R187R73-Q75 PolarHBondContact NH1-O 2.74Å; Q75-R187 VanDerWaalsContact CD-NH2 3.29Å
76H87.8Confident96.1Very high42 Ų4231.8 Ų31.819%0.19416%0.163CC..THydrogen-bonded Turntrans-88.5-11.1177.465.5-92.6000113.6Q74 Q183Q74-H76 PolarHBondContact O-N 2.85Å; H76-Q183 HydrophobicContact CB-CB 4.46Å
77S93.5Very high95.7Very high6 Ų634 Ų344%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-91.4138.6-177.4-69.80000111.8N41 R73 Q74 S123N41-S77 WeakPolarHBondContact CB-OG 3.05Å; R73-S77 CarbonylContact C-O 3.51Å; R73-S77 WeakPolarHBondContact CA-O 3.3Å; Q74-S77 PolarHBondContact N-O 3.05Å; Q74-S77 PolarHBondContact O-N 3.43Å; S77-S123 WeakPolarHBondContact CA-OG 3.34Å
78T96.9Very high95.1Very high17 Ų1736.1 Ų36.110%0.10420%0.198CC..EExtended strand (participates in β ladder)trans-131.6141.7175.1490000111.4I71 V72 R73 C122 S123 I124I71-T78 HydrophobicContact CG2-CG2 4.13Å; V72-T78 VanDerWaalsContact O-CA 3.28Å; V72-T78 WeakPolarHBondContact O-CA 3.45Å; R73-T78 HydrophobicContact CB-CG2 3.81Å; R73-T78 HydrophobicContact CG-CG2 3.67Å; T78-C122 VanDerWaalsContact OG1-CA 3.28Å; T78-C122 WeakPolarHBondContact OG1-CA 3.4Å; T78-S123 PolarHBondContact N-OG 3.09Å; T78-S123 PolarHBondContact O-N 2.86Å; T78-S123 PolarHBondContact O-OG 2.83Å; T78-S123 PolarHBondContact OG1-N 2.89Å; T78-I124 WeakPolarHBondContact O-CB 3.31Å; T78-I124 WeakPolarHBondContact O-CG1 3.41Å; T78-I124 PolarHBondContact O-N 2.83Å
79V98.2Very high94.9Very high0 Ų036.4 Ų36.40%020%0.199CC..EExtended strand (participates in β ladder)trans-136.4143.5173.969.90000110.4L40 L43 L54 I71 V72 T81 I124L40-V79 HydrophobicContact CD1-CG1 4.25Å; L40-V79 HydrophobicContact CD2-CG1 3.65Å; L43-V79 HydrophobicContact CD2-CB 4.47Å; L43-V79 HydrophobicContact CD2-CG2 3.75Å; L54-V79 HydrophobicContact CD1-CG1 4.3Å; I71-V79 WeakPolarHBondContact CA-O 3.44Å; V72-V79 HydrophobicContact CB-CG1 4.14Å; V72-V79 PolarHBondContact N-O 2.85Å; V72-V79 PolarHBondContact O-N 3.25Å; V79-T81 HydrophobicContact CG1-CG2 4.37Å; V79-I124 HydrophobicContact CB-CB 4.39Å; V79-I124 HydrophobicContact CB-CD1 4.2Å; V79-I124 HydrophobicContact CG2-CB 4.31Å; V79-I124 HydrophobicContact CG2-CG2 4.38Å
80Q98.4Very high94.7Very high33 Ų3335.4 Ų35.415%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-78.8138.6170.4179.1168.7-78.900110.6F69 I119 E128 V129F69-Q80 HydrophobicContact CD1-CG 4.34Å; Q80-I119 HydrophobicContact CB-CD1 3.71Å; Q80-I119 HydrophobicContact CB-CG2 4.1Å; Q80-I119 HydrophobicContact CG-CD1 4.31Å; Q80-E128 HydrophobicContact CB-CB 4.39Å; Q80-E128 PolarHBondContact NE2-OE2 2.84Å; Q80-E128 WeakPolarHBondContact O-CA 3.24Å; Q80-V129 PolarHBondContact O-N 3.3Å
81T98.3Very high94.5Very high0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans-125.2149169.271.50000108.9F69 V70 V72 V79 I108 V129F69-T81 WeakPolarHBondContact CA-O 3.3Å; V70-T81 WeakPolarHBondContact CB-OG1 3.09Å; V70-T81 PolarHBondContact N-O 2.9Å; V70-T81 PolarHBondContact O-N 3.39Å; V70-T81 PolarHBondContact O-OG1 2.97Å; V72-T81 HydrophobicContact CB-CG2 4.48Å; V72-T81 HydrophobicContact CG2-CG2 3.51Å; V79-T81 HydrophobicContact CG1-CG2 4.37Å; T81-I108 HydrophobicContact CG2-CD1 4.19Å; T81-V129 CarbonylContact C-O 3.59Å; T81-V129 WeakPolarHBondContact CA-O 3.5Å; T81-V129 HydrophobicContact CG2-CB 3.95Å; T81-V129 HydrophobicContact CG2-CG2 4.46Å
82V97.7Very high94.3Very high1 Ų146.6 Ų46.61%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-137141.6-173.664.90000111T67 C68 F69 F84 E128 V129 H130 V131T67-V82 HydrophobicContact CG2-CG2 3.86Å; C68-V82 WeakPolarHBondContact O-CA 3.38Å; F69-V82 HydrophobicContact CD1-CB 4.1Å; F69-V82 HydrophobicContact CD1-CG2 3.8Å; F69-V82 HydrophobicContact CE1-CB 4.19Å; F69-V82 HydrophobicContact CE1-CG2 3.57Å; F69-V82 HydrophobicContact CZ-CG2 4.13Å; V82-F84 HydrophobicContact CB-CE2 4.24Å; V82-F84 HydrophobicContact CB-CZ 4.49Å; V82-F84 HydrophobicContact CG1-CE2 3.71Å; V82-F84 HydrophobicContact CG1-CZ 4.26Å; V82-F84 HydrophobicContact CG2-CD2 4.19Å; V82-F84 HydrophobicContact CG2-CE1 4.09Å; V82-F84 HydrophobicContact CG2-CE2 3.49Å; V82-F84 VanDerWaalsContact CG2-CE2 3.49Å; V82-F84 HydrophobicContact CG2-CZ 3.43Å; V82-F84 VanDerWaalsContact CG2-CZ 3.43Å; V82-E128 HydrophobicContact CG1-CG 4.45Å; V82-V129 PolarHBondContact N-O 3.47Å; V82-H130 VanDerWaalsContact CG1-CD2 3.48Å; V82-H130 WeakPolarHBondContact CG1-CD2 3.45Å; V82-V131 PolarHBondContact O-N 2.79Å
83M97Very high94.1Very high1 Ų146.6 Ų46.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-124.4135.5173.7-69.3171.3-73.800109.8T67 C68 V70 I89 M93 L94 V97 V131 F134T67-M83 CarbonylContact C-O 3.53Å; T67-M83 VanDerWaalsContact CA-O 3.28Å; T67-M83 WeakPolarHBondContact CA-O 3.13Å; T67-M83 WeakPolarHBondContact CG2-O 3.25Å; C68-M83 HydrophobicContact CB-CE 3.65Å; C68-M83 PolarHBondContact N-O 2.91Å; C68-M83 PolarHBondContact O-N 2.87Å; V70-M83 HydrophobicContact CG2-CE 4.11Å; M83-I89 HydrophobicContact CB-CG2 4.27Å; M83-M93 HydrophobicContact SD-CE 4.13Å; M83-L94 HydrophobicContact CB-CD1 4.08Å; M83-V97 HydrophobicContact CE-CB 3.81Å; M83-V97 HydrophobicContact CE-CG1 3.47Å; M83-V97 VanDerWaalsContact CE-CG1 3.47Å; M83-V97 HydrophobicContact CE-CG2 3.97Å; M83-V97 HydrophobicContact SD-CB 4.43Å; M83-V97 HydrophobicContact SD-CG2 3.98Å; M83-V131 HydrophobicContact CG-CB 3.55Å; M83-V131 HydrophobicContact CG-CG1 3.91Å; M83-V131 HydrophobicContact CG-CG2 4.09Å; M83-V131 HydrophobicContact SD-CB 4.47Å; M83-V131 HydrophobicContact SD-CG1 4.22Å; M83-F134 HydrophobicContact SD-CD2 4.47Å
84F95.9Very high94Very high100 Ų10046.8 Ų46.844%0.43926%0.255SS..EExtended strand (participates in β ladder)trans-120.1127.4173-58.6-84.5000109.1T67 V82 G86 I89 H130T67-F84 HydrophobicContact CG2-CD1 3.82Å; T67-F84 HydrophobicContact CG2-CE1 3.64Å; T67-F84 HydrophobicContact CG2-CZ 4.37Å; V82-F84 HydrophobicContact CB-CE2 4.24Å; V82-F84 HydrophobicContact CB-CZ 4.49Å; V82-F84 HydrophobicContact CG1-CE2 3.71Å; V82-F84 HydrophobicContact CG1-CZ 4.26Å; V82-F84 HydrophobicContact CG2-CD2 4.19Å; V82-F84 HydrophobicContact CG2-CE1 4.09Å; V82-F84 HydrophobicContact CG2-CE2 3.49Å; V82-F84 VanDerWaalsContact CG2-CE2 3.49Å; V82-F84 HydrophobicContact CG2-CZ 3.43Å; V82-F84 VanDerWaalsContact CG2-CZ 3.43Å; F84-G86 PolarHBondContact O-N 3.26Å; F84-I89 WeakPolarHBondContact O-CB 3.28Å; F84-H130 AromaticContact CE2-CE1 3.76Å
85V95Very high93.9Very high39 Ų3952.8 Ų52.824%0.23628%0.281CS..  trans-60.7125.4174.2174.80000109.2K66 I89 K91 L94K66-V85 HydrophobicContact CB-CB 4.07Å; K66-V85 HydrophobicContact CB-CG2 4.24Å; K66-V85 HydrophobicContact CG-CB 4.36Å; K66-V85 WeakPolarHBondContact O-CG2 3.49Å; K66-V85 PolarHBondContact O-N 3.26Å; V85-I89 WeakPolarHBondContact CA-O 3.28Å; V85-K91 HydrophobicContact CG1-CG 4.07Å; V85-K91 HydrophobicContact CG2-CG 4.15Å; V85-L94 HydrophobicContact CG2-CD1 3.68Å; V85-L94 HydrophobicContact CG2-CD2 3.73Å; V85-L94 HydrophobicContact CG2-CG 4.22Å
86G92.6Very high94Very high46 Ų4651 Ų5147%0.47427%0.272SS..SBendtrans-165.6-149.5-177.500000110.3F84 I89F84-G86 PolarHBondContact O-N 3.26Å; G86-I89 PolarHBondContact N-O 2.9Å
87D85.9Confident94.4Very high184 Ų18449 Ų4998%0.98426%0.262SS*.SBendtrans-67.9-38.3-174.9-60.1-24.4000113
88S84.5Confident94.5Very high75 Ų7550.8 Ų50.852%0.52428%0.275SS..SBendtrans-95.3-23.4-176.953.40000114.3N20N20-S88 PolarHBondContact ND2-O 3.26Å
89I92.7Very high94.4Very high5 Ų553.9 Ų53.93%0.02630%0.298CS..SBendtrans-114.7112.8-175.4-57.5-64.8000109.3M83 F84 V85 G86 M93 L94 V131M83-I89 HydrophobicContact CB-CG2 4.27Å; F84-I89 WeakPolarHBondContact O-CB 3.28Å; V85-I89 WeakPolarHBondContact CA-O 3.28Å; G86-I89 PolarHBondContact N-O 2.9Å; I89-M93 HydrophobicContact CD1-CE 3.76Å; I89-M93 HydrophobicContact CD1-SD 3.45Å; I89-M93 WeakPolarHBondContact CD1-SD 3.4Å; I89-M93 HydrophobicContact CG2-SD 4.15Å; I89-L94 HydrophobicContact CG2-CD1 3.5Å; I89-V131 WeakPolarHBondContact CD1-O 3.42Å
90S93.5Very high94.4Very high48 Ų4854.4 Ų54.434%0.33630%0.3SS..  trans-84.8162.8-179.773.70000112.8D92 M93 L94S90-D92 PolarHBondContact O-N 3.45Å; S90-D92 PolarHBondContact OG-N 3.3Å; S90-M93 WeakPolarHBondContact O-CB 3.36Å; S90-M93 PolarHBondContact O-N 2.67Å; S90-M93 PolarHBondContact OG-N 2.83Å; S90-M93 VanDerWaalsContact OG-N 3.08Å; S90-L94 PolarHBondContact O-N 2.97Å
91K93.7Very high94.4Very high143 Ų14353.8 Ų53.862%0.62230%0.299SS*.Hα-helixtrans-61.1-32.3169-72.5-176.6178.5176.80112.1V85 L94 K95V85-K91 HydrophobicContact CG1-CG 4.07Å; V85-K91 HydrophobicContact CG2-CG 4.15Å; K91-L94 PolarHBondContact O-N 3.1Å; K91-K95 PolarHBondContact O-N 2.96Å
92D93.7Very high94.3Very high112 Ų11258.7 Ų58.760%0.59932%0.318SS*.Hα-helixtrans-67.8-37.7177.9-64.1-33.2000111.6F21 S90 K95 F96F21-D92 HydrophobicContact CZ-CB 4.15Å; S90-D92 PolarHBondContact O-N 3.45Å; S90-D92 PolarHBondContact OG-N 3.3Å; D92-K95 PolarHBondContact O-N 3.39Å; D92-F96 WeakPolarHBondContact O-CB 3Å; D92-F96 PolarHBondContact O-N 3.46Å
93M94.9Very high94.3Very high1 Ų158.9 Ų58.91%0.00532%0.318CS..Hα-helixtrans-61.1-46.4171.9-174.9171.2177.200111F21 M83 I89 S90 K95 F96 V97 V131 F134F21-M93 HydrophobicContact CB-CE 4.17Å; F21-M93 HydrophobicContact CB-CG 3.86Å; F21-M93 HydrophobicContact CB-SD 4.17Å; F21-M93 HydrophobicContact CD1-CB 3.61Å; F21-M93 HydrophobicContact CD1-CG 3.7Å; F21-M93 HydrophobicContact CD1-SD 4Å; F21-M93 HydrophobicContact CD2-CB 4.47Å; F21-M93 HydrophobicContact CD2-CG 4.45Å; F21-M93 HydrophobicContact CE1-CB 3.73Å; F21-M93 HydrophobicContact CE1-CG 4.33Å; F21-M93 HydrophobicContact CG-CB 4.01Å; F21-M93 HydrophobicContact CG-CG 3.76Å; F21-M93 HydrophobicContact CG-SD 4.36Å; F21-M93 HydrophobicContact CZ-CB 4.23Å; M83-M93 HydrophobicContact SD-CE 4.13Å; I89-M93 HydrophobicContact CD1-CE 3.76Å; I89-M93 HydrophobicContact CD1-SD 3.45Å; I89-M93 WeakPolarHBondContact CD1-SD 3.4Å; I89-M93 HydrophobicContact CG2-SD 4.15Å; S90-M93 WeakPolarHBondContact O-CB 3.36Å; S90-M93 PolarHBondContact O-N 2.67Å; S90-M93 PolarHBondContact OG-N 2.83Å; S90-M93 VanDerWaalsContact OG-N 3.08Å; M93-K95 VanDerWaalsContact C-N 3.32Å; M93-K95 PolarHBondContact O-N 2.86Å; M93-F96 PolarHBondContact O-N 3.24Å; M93-V97 HydrophobicContact CG-CG2 4.48Å; M93-V97 WeakPolarHBondContact O-CG2 3.5Å; M93-V97 PolarHBondContact O-N 3.3Å; M93-V131 HydrophobicContact CE-CG1 4.12Å; M93-F134 HydrophobicContact CE-CB 3.53Å
94L94.9Very high94.4Very high11 Ų1158.8 Ų58.86%0.05832%0.318CS..Hα-helixtrans-59.3-43175.6-101.575.9000112.1C68 M83 V85 I89 S90 K91 S98C68-L94 HydrophobicContact CB-CD2 4.04Å; C68-L94 HydrophobicContact CB-CG 3.79Å; M83-L94 HydrophobicContact CB-CD1 4.08Å; V85-L94 HydrophobicContact CG2-CD1 3.68Å; V85-L94 HydrophobicContact CG2-CD2 3.73Å; V85-L94 HydrophobicContact CG2-CG 4.22Å; I89-L94 HydrophobicContact CG2-CD1 3.5Å; S90-L94 PolarHBondContact O-N 2.97Å; K91-L94 PolarHBondContact O-N 3.1Å; L94-S98 VanDerWaalsContact O-CB 3.28Å; L94-S98 WeakPolarHBondContact O-CB 3.27Å; L94-S98 PolarHBondContact O-N 3.07Å; L94-S98 PolarHBondContact O-OG 3.15Å
95K94.3Very high94.5Very high161 Ų16156.3 Ų56.370%0.731%0.309SS*.Hα-helixtrans-64.8-43.6178.3-174.2180177.9-1760111.4K91 D92 M93 S99K91-K95 PolarHBondContact O-N 2.96Å; D92-K95 PolarHBondContact O-N 3.39Å; M93-K95 VanDerWaalsContact C-N 3.32Å; M93-K95 PolarHBondContact O-N 2.86Å; K95-S99 PolarHBondContact O-N 2.81Å
96F95.1Very high94.7Very high45 Ų4554.5 Ų54.520%0.19730%0.298CS..Hα-helixtrans-58.2-56.2174.6172.5-103.7000110.6F21 G22 D92 M93 S98 S99 I100 V136F21-F96 HydrophobicContact CB-CD1 4.37Å; F21-F96 HydrophobicContact CD2-CB 3.87Å; F21-F96 AromaticContact CD2-CD1 3.63Å; F21-F96 HydrophobicContact CD2-CD1 3.63Å; F21-F96 HydrophobicContact CD2-CE1 4.32Å; F21-F96 AromaticContact CD2-CG 3.76Å; F21-F96 HydrophobicContact CD2-CG 3.76Å; F21-F96 HydrophobicContact CE2-CB 3.86Å; F21-F96 HydrophobicContact CE2-CD1 4.44Å; F21-F96 HydrophobicContact CE2-CG 4.14Å; F21-F96 HydrophobicContact CG-CD1 4.44Å; G22-F96 VanDerWaalsContact C-CZ 3.46Å; G22-F96 WeakPolarHBondContact O-CZ 3.47Å; D92-F96 WeakPolarHBondContact O-CB 3Å; D92-F96 PolarHBondContact O-N 3.46Å; M93-F96 PolarHBondContact O-N 3.24Å; F96-S98 VanDerWaalsContact C-N 3.27Å; F96-S98 PolarHBondContact O-N 3.5Å; F96-S99 WeakPolarHBondContact O-CB 3.39Å; F96-S99 PolarHBondContact O-N 3.34Å; F96-S99 PolarHBondContact O-OG 3.33Å; F96-I100 HydrophobicContact CD1-CD1 4.29Å; F96-I100 HydrophobicContact CE1-CD1 3.9Å; F96-I100 HydrophobicContact CE1-CG1 4.43Å; F96-I100 HydrophobicContact CZ-CD1 4.34Å; F96-I100 HydrophobicContact CZ-CG1 4.5Å; F96-I100 WeakPolarHBondContact O-CG1 3.35Å; F96-I100 PolarHBondContact O-N 2.82Å; F96-V136 HydrophobicContact CE1-CG2 4.11Å; F96-V136 HydrophobicContact CZ-CG2 3.78Å
97V96.7Very high94.9Very high0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-59.8-39.6-176.9175.40000112V70 M83 M93 S99 I100 F134V70-V97 HydrophobicContact CG2-CG1 3.64Å; M83-V97 HydrophobicContact CE-CB 3.81Å; M83-V97 HydrophobicContact CE-CG1 3.47Å; M83-V97 VanDerWaalsContact CE-CG1 3.47Å; M83-V97 HydrophobicContact CE-CG2 3.97Å; M83-V97 HydrophobicContact SD-CB 4.43Å; M83-V97 HydrophobicContact SD-CG2 3.98Å; M93-V97 HydrophobicContact CG-CG2 4.48Å; M93-V97 WeakPolarHBondContact O-CG2 3.5Å; M93-V97 PolarHBondContact O-N 3.3Å; V97-S99 PolarHBondContact O-N 3.46Å; V97-I100 HydrophobicContact CB-CD1 4.43Å; V97-I100 HydrophobicContact CG1-CD1 4.45Å; V97-I100 HydrophobicContact CG2-CD1 4.49Å; V97-I100 PolarHBondContact O-N 2.86Å; V97-F134 HydrophobicContact CG1-CD2 4.08Å; V97-F134 HydrophobicContact CG1-CE1 4.33Å; V97-F134 HydrophobicContact CG1-CE2 3.65Å; V97-F134 HydrophobicContact CG1-CZ 3.79Å; V97-F134 HydrophobicContact CG2-CB 4.05Å; V97-F134 HydrophobicContact CG2-CD1 3.78Å; V97-F134 HydrophobicContact CG2-CD2 3.77Å; V97-F134 HydrophobicContact CG2-CE1 4.2Å; V97-F134 HydrophobicContact CG2-CE2 4.14Å; V97-F134 HydrophobicContact CG2-CG 3.58Å; V97-F134 HydrophobicContact CG2-CZ 4.35Å
98S94.7Very high95.5Very high45 Ų4543.6 Ų43.632%0.31523%0.229SC..Hα-helixtrans-69.9-15.7179.3-52.70000113.8A63 L94 F96A63-S98 VanDerWaalsContact CB-OG 3.29Å; A63-S98 WeakPolarHBondContact CB-OG 3.48Å; L94-S98 VanDerWaalsContact O-CB 3.28Å; L94-S98 WeakPolarHBondContact O-CB 3.27Å; L94-S98 PolarHBondContact O-N 3.07Å; L94-S98 PolarHBondContact O-OG 3.15Å; F96-S98 VanDerWaalsContact C-N 3.27Å; F96-S98 PolarHBondContact O-N 3.5Å
99S95.7Very high96.1Very high82 Ų8241.1 Ų41.157%0.57321%0.208SC*.Hα-helixtrans-93-9.317873.10000113.6K95 F96 V97 P101K95-S99 PolarHBondContact O-N 2.81Å; F96-S99 WeakPolarHBondContact O-CB 3.39Å; F96-S99 PolarHBondContact O-N 3.34Å; F96-S99 PolarHBondContact O-OG 3.33Å; V97-S99 PolarHBondContact O-N 3.46Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å
100I97.6Very high96.3Very high10 Ų1040.9 Ų40.95%0.05121%0.207CC..SBendtrans-69126.1-177.5-60.9169.2000108.9L58 F96 V97 S104 F134 V136L58-I100 HydrophobicContact CD1-CB 3.83Å; L58-I100 HydrophobicContact CD1-CD1 4.42Å; L58-I100 HydrophobicContact CD1-CG2 3.78Å; F96-I100 HydrophobicContact CD1-CD1 4.29Å; F96-I100 HydrophobicContact CE1-CD1 3.9Å; F96-I100 HydrophobicContact CE1-CG1 4.43Å; F96-I100 HydrophobicContact CZ-CD1 4.34Å; F96-I100 HydrophobicContact CZ-CG1 4.5Å; F96-I100 WeakPolarHBondContact O-CG1 3.35Å; F96-I100 PolarHBondContact O-N 2.82Å; V97-I100 HydrophobicContact CB-CD1 4.43Å; V97-I100 HydrophobicContact CG1-CD1 4.45Å; V97-I100 HydrophobicContact CG2-CD1 4.49Å; V97-I100 PolarHBondContact O-N 2.86Å; I100-S104 WeakPolarHBondContact CG2-OG 3.33Å; I100-F134 HydrophobicContact CD1-CD1 4Å; I100-F134 HydrophobicContact CD1-CE1 3.32Å; I100-F134 HydrophobicContact CD1-CZ 4Å; I100-V136 HydrophobicContact CD1-CG2 3.47Å; I100-V136 VanDerWaalsContact CD1-CG2 3.47Å; I100-V136 HydrophobicContact CG1-CG2 3.89Å; I100-V136 HydrophobicContact CG2-CG2 4.18Å
101P97.3Very high96.4Very high20 Ų2041.2 Ų41.213%0.1320%0.203CC..PPolyproline II helixtrans-56.6142173.6-2837.3000112.4S99 S104 T139 A140 L142S99-P101 WeakPolarHBondContact O-CD 3.35Å; P101-S104 VanDerWaalsContact O-CB 3.31Å; P101-S104 WeakPolarHBondContact O-CB 3.49Å; P101-S104 PolarHBondContact O-N 3.48Å; P101-S104 PolarHBondContact O-OG 3.26Å; P101-T139 HydrophobicContact CG-CG2 4.06Å; P101-A140 HydrophobicContact CB-CB 4.42Å; P101-A140 WeakPolarHBondContact CB-O 3.34Å; P101-A140 WeakPolarHBondContact CG-O 3.39Å; P101-L142 HydrophobicContact CG-CD1 4.16Å
102R97.1Very high96.7Very high104 Ų10434.4 Ų34.439%0.39217%0.174SC..THydrogen-bonded Turntrans-53151.5169.3-65.4-175.5-175.7-176.4-6.1110.5L58 S104 A140 L144 E149L58-R102 HydrophobicContact CD2-CG 4.43Å; R102-S104 PolarHBondContact O-N 3.02Å; R102-A140 VanDerWaalsContact O-CB 3.27Å; R102-A140 WeakPolarHBondContact O-CB 3.49Å; R102-L144 HydrophobicContact CB-CD1 4.17Å; R102-E149 IonicContact NH1-OE2 2.92Å
103E98Very high96.9Very high4 Ų432.8 Ų32.82%0.01916%0.161CC..THydrogen-bonded Turntrans68.80-177.4-65.9-71.7111.400116.1R57 L58 R73 A140 L144 I148 L175 R178R57-E103 VanDerWaalsContact CD-OE2 3.31Å; R57-E103 WeakPolarHBondContact CD-OE2 3.29Å; R57-E103 IonicContact NE-OE2 2.68Å; R57-E103 PolarHBondContact NH1-O 2.97Å; L58-E103 PolarHBondContact O-N 3.47Å; R73-E103 IonicContact CZ-OE1 3.07Å; R73-E103 IonicContact NE-OE1 3.73Å; R73-E103 VanDerWaalsContact NH2-CD 3.28Å; R73-E103 IonicContact NH2-OE1 2.73Å; R73-E103 PolarHBondContact NH2-OE1 2.83Å; R73-E103 IonicContact NH2-OE2 2.82Å; R73-E103 PolarHBondContact NH2-OE2 3.17Å; E103-A140 HydrophobicContact CB-CB 4.29Å; E103-L144 HydrophobicContact CB-CD1 4.17Å; E103-L144 HydrophobicContact CB-CD2 4.44Å; E103-L144 HydrophobicContact CG-CD1 3.69Å; E103-I148 HydrophobicContact CG-CG1 4.34Å; E103-L175 HydrophobicContact CG-CD1 4.26Å; E103-R178 WeakPolarHBondContact OE2-CD 3.37Å; E103-R178 IonicContact OE2-CZ 2.93Å; E103-R178 IonicContact OE2-NE 2.76Å; E103-R178 IonicContact OE2-NH1 3.38Å; E103-R178 PolarHBondContact OE2-NH1 3.47Å
104S98.5Very high97Very high0 Ų037 Ų370%019%0.187CC..  trans-58.8143.3169.2-59.70000110.7R57 L58 I100 P101 R102 N138 A140R57-S104 CarbonylContact C-O 3.48Å; R57-S104 WeakPolarHBondContact CA-O 3.28Å; L58-S104 PolarHBondContact N-O 3.33Å; I100-S104 WeakPolarHBondContact CG2-OG 3.33Å; P101-S104 VanDerWaalsContact O-CB 3.31Å; P101-S104 WeakPolarHBondContact O-CB 3.49Å; P101-S104 PolarHBondContact O-N 3.48Å; P101-S104 PolarHBondContact O-OG 3.26Å; R102-S104 PolarHBondContact O-N 3.02Å; S104-N138 CarbonylContact C-O 3.53Å; S104-N138 WeakPolarHBondContact CA-O 3.43Å; S104-A140 PolarHBondContact OG-N 3.33Å
105I98.6Very high97.1Very high48 Ų4838.2 Ų38.225%0.24620%0.195CC..EExtended strand (participates in β ladder)trans-84.6129.3174.1-56.2-178.3000108.3R55 G56 V137 N138R55-I105 HydrophobicContact CG-CG2 4.2Å; G56-I105 WeakPolarHBondContact O-CA 3.36Å; I105-V137 HydrophobicContact CB-CB 4.15Å; I105-V137 HydrophobicContact CG2-CB 3.86Å; I105-V137 HydrophobicContact CG2-CG1 4.26Å; I105-V137 HydrophobicContact CG2-CG2 4.17Å; I105-V137 PolarHBondContact O-N 2.95Å; I105-N138 HydrophobicContact CB-CB 4.39Å; I105-N138 PolarHBondContact N-O 3.29Å; I105-N138 PolarHBondContact O-N 3.43Å
106I98.5Very high97.1Very high1 Ų135.9 Ų35.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-131.6146.9-172.858.2171.4000110.9R55 G56 L58 V70 V72 I108 F134 F135 V136R55-I106 WeakPolarHBondContact CA-O 3.48Å; G56-I106 PolarHBondContact N-O 3.06Å; G56-I106 WeakPolarHBondContact O-CG1 3.49Å; G56-I106 PolarHBondContact O-N 3.12Å; L58-I106 HydrophobicContact CB-CD1 3.96Å; L58-I106 HydrophobicContact CB-CG2 4.34Å; V70-I106 HydrophobicContact CG1-CD1 4.33Å; V72-I106 HydrophobicContact CG2-CD1 4.13Å; I106-I108 HydrophobicContact CD1-CD1 3.7Å; I106-I108 HydrophobicContact CD1-CG1 4.39Å; I106-I108 HydrophobicContact CG1-CD1 4.48Å; I106-F134 HydrophobicContact CB-CE1 3.92Å; I106-F134 HydrophobicContact CB-CZ 4.07Å; I106-F134 HydrophobicContact CD1-CE1 4.22Å; I106-F134 HydrophobicContact CD1-CE2 4.06Å; I106-F134 HydrophobicContact CD1-CZ 3.47Å; I106-F134 VanDerWaalsContact CD1-CZ 3.47Å; I106-F134 HydrophobicContact CG1-CZ 4.37Å; I106-F134 HydrophobicContact CG2-CE1 3.63Å; I106-F134 HydrophobicContact CG2-CZ 3.92Å; I106-F135 CarbonylContact C-O 3.39Å; I106-F135 VanDerWaalsContact CA-O 3.24Å; I106-F135 WeakPolarHBondContact CA-O 3.37Å; I106-V136 HydrophobicContact CG2-CG2 4.38Å
107D97.8Very high97.1Very high1 Ų139.4 Ų39.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-109.3129.9167.4-73-3.6000109.1Y24 F37 W53 L54 R55 F135 V137Y24-D107 HydrophobicContact CE2-CB 4.22Å; Y24-D107 WeakPolarHBondContact CE2-OD2 3.44Å; F37-D107 HydrophobicContact CE1-CB 4.28Å; F37-D107 WeakPolarHBondContact CZ-OD2 3.24Å; W53-D107 HydrophobicContact CE3-CB 4.39Å; W53-D107 HydrophobicContact CZ3-CB 4.15Å; L54-D107 CarbonylContact O-C 3.13Å; L54-D107 VanDerWaalsContact O-CA 3.31Å; L54-D107 WeakPolarHBondContact O-CA 3.22Å; R55-D107 WeakPolarHBondContact CB-OD1 3.16Å; R55-D107 WeakPolarHBondContact CG-OD1 3.35Å; R55-D107 IonicContact CZ-OD1 3.7Å; R55-D107 IonicContact CZ-OD2 3.11Å; R55-D107 IonicContact NE-OD1 3.83Å; R55-D107 PolarHBondContact NE-OD1 3.3Å; R55-D107 IonicContact NE-OD2 3.2Å; R55-D107 IonicContact NH2-OD1 2.75Å; R55-D107 PolarHBondContact NH2-OD1 3.4Å; R55-D107 IonicContact NH2-OD2 3.28Å; R55-D107 PolarHBondContact NH2-OD2 3.17Å; D107-F135 HydrophobicContact CB-CB 4.44Å; D107-F135 PolarHBondContact N-O 3.25Å; D107-F135 PolarHBondContact O-N 3.3Å; D107-V137 HydrophobicContact CB-CG2 4.31Å; D107-V137 VanDerWaalsContact CG-CG2 3.48Å; D107-V137 VanDerWaalsContact OD1-CG2 3.29Å; D107-V137 WeakPolarHBondContact OD1-CG2 3.25Å
108I97.3Very high97.1Very high0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-122.9135178.5-73.8163.1000108.8W53 L54 V72 T81 I106 V131 K133 F134W53-I108 CarbonylContact C-O 3.55Å; W53-I108 WeakPolarHBondContact CA-O 3.37Å; L54-I108 PolarHBondContact N-O 2.94Å; L54-I108 PolarHBondContact O-N 2.94Å; V72-I108 HydrophobicContact CG2-CD1 3.35Å; T81-I108 HydrophobicContact CG2-CD1 4.19Å; I106-I108 HydrophobicContact CD1-CD1 3.7Å; I106-I108 HydrophobicContact CD1-CG1 4.39Å; I106-I108 HydrophobicContact CG1-CD1 4.48Å; I108-V131 HydrophobicContact CG2-CB 4.44Å; I108-V131 HydrophobicContact CG2-CG1 4.18Å; I108-V131 HydrophobicContact CG2-CG2 3.79Å; I108-K133 WeakPolarHBondContact CA-O 3.39Å; I108-F134 HydrophobicContact CD1-CD2 4.04Å; I108-F134 HydrophobicContact CD1-CE2 3.69Å; I108-F134 HydrophobicContact CD1-CZ 4.36Å; I108-F134 HydrophobicContact CG1-CD2 3.7Å; I108-F134 HydrophobicContact CG1-CE2 3.82Å; I108-F134 HydrophobicContact CG1-CG 4.28Å; I108-F134 HydrophobicContact CG1-CZ 4.46Å
109Y96.8Very high97.1Very high22 Ų2242 Ų429%0.08623%0.234CC..EExtended strand (participates in β ladder)trans-113.7130.4164.8179.8-110.9000109M5 K51 V52 W53 E132 K133M5-Y109 HydrophobicContact CE-CE2 3.76Å; M5-Y109 HydrophobicContact SD-CE2 4.06Å; K51-Y109 HydrophobicContact CB-CE2 3.84Å; K51-Y109 WeakPolarHBondContact CB-OH 3.44Å; K51-Y109 HydrophobicContact CD-CE1 4.08Å; K51-Y109 VanDerWaalsContact CD-OH 3.24Å; K51-Y109 WeakPolarHBondContact CD-OH 3.41Å; V52-Y109 WeakPolarHBondContact O-CA 3.31Å; V52-Y109 WeakPolarHBondContact O-CD2 3.45Å; W53-Y109 AromaticContact CD1-CD2 3.48Å; W53-Y109 VanDerWaalsContact CD1-CD2 3.48Å; W53-Y109 AromaticContact CD1-CE2 3.95Å; W53-Y109 AromaticContact CD2-CD2 3.91Å; W53-Y109 HydrophobicContact CD2-CD2 3.91Å; W53-Y109 HydrophobicContact CD2-CG 4.25Å; W53-Y109 AromaticContact CE2-CD2 3.58Å; W53-Y109 AromaticContact CE2-CG 3.84Å; W53-Y109 AromaticContact CG-CD2 3.86Å; W53-Y109 HydrophobicContact CG-CD2 3.86Å; W53-Y109 HydrophobicContact CZ2-CD2 4.23Å; W53-Y109 HydrophobicContact CZ2-CG 4.04Å; W53-Y109 AromaticContact NE1-CD2 3.28Å; W53-Y109 VanDerWaalsContact NE1-CD2 3.28Å; W53-Y109 AromaticContact NE1-CE2 3.76Å; W53-Y109 AromaticContact NE1-CG 3.98Å; Y109-E132 HydrophobicContact CD1-CB 4.04Å; Y109-E132 WeakPolarHBondContact CE1-OE2 3.42Å; Y109-E132 PolarHBondContact O-N 2.86Å; Y109-K133 HydrophobicContact CD1-CD 4.31Å; Y109-K133 HydrophobicContact CD1-CG 4.16Å; Y109-K133 PolarHBondContact N-O 3.01Å; Y109-K133 PolarHBondContact O-N 2.84Å
110G96.8Very high97.1Very high0 Ų043.9 Ų43.90%024%0.242CC..EExtended strand (participates in β ladder)trans-172.1171.1-178.800000113.7K51 V52 H130K51-G110 CarbonylContact C-O 3.49Å; K51-G110 VanDerWaalsContact CA-O 3.26Å; K51-G110 WeakPolarHBondContact CA-O 3.38Å; V52-G110 PolarHBondContact N-O 3.32Å; V52-G110 PolarHBondContact O-N 2.81Å; V52-G110 VanDerWaalsContact O-N 3.12Å; G110-H130 CarbonylContact C-O 3.56Å; G110-H130 WeakPolarHBondContact CA-O 2.91Å
111E97.6Very high96.8Very high56 Ų5647 Ų4726%0.26227%0.265SS..EExtended strand (participates in β ladder)trans-90.1129.1178.6-172.5-173.7-172.800110.9K50 K51 K113 V129 H130K50-E111 WeakPolarHBondContact O-CA 3.46Å; K51-E111 HydrophobicContact CG-CB 4.22Å; E111-K113 HydrophobicContact CG-CG 4.44Å; E111-K113 WeakPolarHBondContact OE2-CE 3.17Å; E111-K113 IonicContact OE2-NZ 2.76Å; E111-V129 CarbonylContact O-C 3.58Å; E111-V129 WeakPolarHBondContact O-CA 3.09Å; E111-H130 PolarHBondContact N-O 2.73Å; E111-H130 PolarHBondContact O-N 3.42Å
112V98.4Very high96.7Very high0 Ų046.3 Ų46.30%026%0.26CS..EExtended strand (participates in β ladder)trans-77.9124.8174-177.20000109.3L43 Y47 G49 K50 V52 V127 V129L43-V112 HydrophobicContact CD1-CG2 4.04Å; L43-V112 HydrophobicContact CD2-CG2 4.48Å; L43-V112 HydrophobicContact CG-CG2 4.44Å; Y47-V112 WeakPolarHBondContact O-CB 3.43Å; G49-V112 PolarHBondContact N-O 3.24Å; K50-V112 PolarHBondContact O-N 2.8Å; V52-V112 HydrophobicContact CG1-CG2 4.09Å; V52-V112 HydrophobicContact CG2-CG2 3.59Å; V112-V127 HydrophobicContact CG1-CB 3.78Å; V112-V127 HydrophobicContact CG1-CG1 3.99Å; V112-V127 HydrophobicContact CG1-CG2 4.04Å; V112-V129 HydrophobicContact CG2-CG2 4.21Å
113K97.9Very high96.5Very high78 Ų7844.4 Ų44.434%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-122.3142.7176.4-66.1-166.2-176.7164.40111.1E111 V127 E128 H130E111-K113 HydrophobicContact CG-CG 4.44Å; E111-K113 WeakPolarHBondContact OE2-CE 3.17Å; E111-K113 IonicContact OE2-NZ 2.76Å; K113-V127 CarbonylContact O-C 3.4Å; K113-V127 WeakPolarHBondContact O-CA 3.31Å; K113-V127 WeakPolarHBondContact O-CB 3.24Å; K113-E128 PolarHBondContact N-O 3.27Å; K113-E128 PolarHBondContact O-N 3.28Å; K113-H130 PolarHBondContact NZ-ND1 2.88Å
114T97.4Very high96.4Very high89 Ų8944.8 Ų44.855%0.54627%0.265SS..EExtended strand (participates in β ladder)trans-70.8145170.853.50000110.5A48 V127A48-T114 HydrophobicContact CB-CG2 3.77Å; T114-V127 HydrophobicContact CG2-CG1 4.39Å
115V96.4Very high96.3Very high37 Ų3748.5 Ų48.522%0.22428%0.282CS..  trans-106.6150.1173.8-65.40000111.1D117 I119 Q125 N126 E128V115-D117 VanDerWaalsContact CG2-O 3.26Å; V115-D117 WeakPolarHBondContact CG2-O 3.14Å; V115-I119 HydrophobicContact CG1-CD1 4.11Å; V115-I119 HydrophobicContact CG2-CD1 4.36Å; V115-I119 HydrophobicContact CG2-CG1 4.19Å; V115-Q125 VanDerWaalsContact CG2-O 3.28Å; V115-Q125 WeakPolarHBondContact CG2-O 3.44Å; V115-N126 PolarHBondContact N-O 3.48Å; V115-E128 HydrophobicContact CG1-CB 4.15Å; V115-E128 HydrophobicContact CG1-CG 3.68Å
116S94.5Very high96.2Very high111 Ų11149.6 Ų49.678%0.77629%0.288SS*.SBendtrans-72.5-40.3173.149.10000111.8
117D95.4Very high96.1Very high120 Ų12049.5 Ų49.564%0.64229%0.288SS*.SBendtrans-111.1129.4-174.9-58.9-70.4000110.1V115 I119V115-D117 VanDerWaalsContact CG2-O 3.26Å; V115-D117 WeakPolarHBondContact CG2-O 3.14Å; D117-I119 PolarHBondContact O-N 2.91Å
118P96.1Very high96.1Very high83 Ų8350.8 Ų50.854%0.53929%0.294SS..  trans-59131.3179.6-26.234.8000113.2V120 Q125P118-V120 VanDerWaalsContact C-N 3.33Å; P118-V120 PolarHBondContact O-N 2.74Å; P118-Q125 WeakPolarHBondContact CA-O 3.29Å; P118-Q125 HydrophobicContact CB-CB 4.09Å
119I96.1Very high96.2Very high17 Ų1750.8 Ų50.89%0.08729%0.294CS..  trans-82.179.9177.6-50.1171.8000109.4Q80 V115 D117 S121 C122 Q125 E128Q80-I119 HydrophobicContact CB-CD1 3.71Å; Q80-I119 HydrophobicContact CB-CG2 4.1Å; Q80-I119 HydrophobicContact CG-CD1 4.31Å; V115-I119 HydrophobicContact CG1-CD1 4.11Å; V115-I119 HydrophobicContact CG2-CD1 4.36Å; V115-I119 HydrophobicContact CG2-CG1 4.19Å; D117-I119 PolarHBondContact O-N 2.91Å; I119-S121 PolarHBondContact O-N 3.16Å; I119-C122 HydrophobicContact CG2-CB 4.24Å; I119-C122 PolarHBondContact O-N 2.86Å; I119-Q125 PolarHBondContact N-O 2.78Å; I119-Q125 WeakPolarHBondContact O-CG 3.34Å; I119-E128 HydrophobicContact CD1-CB 3.92Å
120V94.2Very high96.2Very high120 Ų12051.6 Ų51.673%0.72730%0.298SS*.THydrogen-bonded Turntrans-59.8-18.5-172-61.10000115.2P118 C122P118-V120 VanDerWaalsContact C-N 3.33Å; P118-V120 PolarHBondContact O-N 2.74Å; V120-C122 VanDerWaalsContact C-N 3.26Å; V120-C122 PolarHBondContact O-N 2.75Å
121S92.1Very high96.3Very high76 Ų7652 Ų5253%0.53130%0.301SS..THydrogen-bonded Turntrans-77.9-7.8175.359.50000113.9I119I119-S121 PolarHBondContact O-N 3.16Å
122C95.2Very high96.2Very high6 Ų651.8 Ų51.84%0.04130%0.3CS..SBendtrans-116.2156.3-179.8-68.60000111.3T78 I119 V120 I124 Q125T78-C122 VanDerWaalsContact OG1-CA 3.28Å; T78-C122 WeakPolarHBondContact OG1-CA 3.4Å; I119-C122 HydrophobicContact CG2-CB 4.24Å; I119-C122 PolarHBondContact O-N 2.86Å; V120-C122 VanDerWaalsContact C-N 3.26Å; V120-C122 PolarHBondContact O-N 2.75Å; C122-I124 VanDerWaalsContact C-N 3.3Å; C122-I124 WeakPolarHBondContact CB-O 3.34Å; C122-Q125 WeakPolarHBondContact O-CG 3.37Å; C122-Q125 PolarHBondContact O-NE2 3.17Å
123S92.8Very high96Very high63 Ų6353 Ų5344%0.44131%0.305SS..SBendtrans-71.4-31.7170.370.40000110.8S77 T78S77-S123 WeakPolarHBondContact CA-OG 3.34Å; T78-S123 PolarHBondContact N-OG 3.09Å; T78-S123 PolarHBondContact O-N 2.86Å; T78-S123 PolarHBondContact O-OG 2.83Å; T78-S123 PolarHBondContact OG1-N 2.89Å
124I95.7Very high96Very high12 Ų1249.3 Ų49.36%0.06229%0.289CS..  trans-99107174.6-51.9178.2000107.6L40 L43 T78 V79 C122 V127L40-I124 HydrophobicContact CB-CD1 4.35Å; L40-I124 WeakPolarHBondContact O-CD1 3.26Å; L43-I124 HydrophobicContact CB-CD1 3.86Å; T78-I124 WeakPolarHBondContact O-CB 3.31Å; T78-I124 WeakPolarHBondContact O-CG1 3.41Å; T78-I124 PolarHBondContact O-N 2.83Å; V79-I124 HydrophobicContact CB-CB 4.39Å; V79-I124 HydrophobicContact CB-CD1 4.2Å; V79-I124 HydrophobicContact CG2-CB 4.31Å; V79-I124 HydrophobicContact CG2-CG2 4.38Å; C122-I124 VanDerWaalsContact C-N 3.3Å; C122-I124 WeakPolarHBondContact CB-O 3.34Å; I124-V127 HydrophobicContact CG2-CG2 3.56Å
125Q96.6Very high96Very high79 Ų7945.1 Ų45.137%0.36926%0.263SS..  trans-106.1-20.7-166.6-56.6-168.8-5.400113.9V115 P118 I119 C122V115-Q125 VanDerWaalsContact CG2-O 3.28Å; V115-Q125 WeakPolarHBondContact CG2-O 3.44Å; P118-Q125 WeakPolarHBondContact CA-O 3.29Å; P118-Q125 HydrophobicContact CB-CB 4.09Å; I119-Q125 PolarHBondContact N-O 2.78Å; I119-Q125 WeakPolarHBondContact O-CG 3.34Å; C122-Q125 WeakPolarHBondContact O-CG 3.37Å; C122-Q125 PolarHBondContact O-NE2 3.17Å
126N96.6Very high96Very high70 Ų7043.4 Ų43.437%0.37425%0.253SS..SBendtrans-93.5-8-171.458.7-27.1000114.3S45 V115S45-N126 PolarHBondContact OG-ND2 2.97Å; V115-N126 PolarHBondContact N-O 3.48Å
127V97.7Very high96.1Very high0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-139.8155.4177.9-62.70000111.6L43 V112 K113 T114 I124L43-V127 HydrophobicContact CD2-CG2 3.92Å; L43-V127 HydrophobicContact CG-CG2 4.47Å; V112-V127 HydrophobicContact CG1-CB 3.78Å; V112-V127 HydrophobicContact CG1-CG1 3.99Å; V112-V127 HydrophobicContact CG1-CG2 4.04Å; K113-V127 CarbonylContact O-C 3.4Å; K113-V127 WeakPolarHBondContact O-CA 3.31Å; K113-V127 WeakPolarHBondContact O-CB 3.24Å; T114-V127 HydrophobicContact CG2-CG1 4.39Å; I124-V127 HydrophobicContact CG2-CG2 3.56Å
128E97.9Very high96.2Very high28 Ų2838.7 Ų38.713%0.13122%0.22CC..EExtended strand (participates in β ladder)trans-130.4163165.565.7176.1-166.400110.4Q80 V82 K113 V115 I119 H130Q80-E128 HydrophobicContact CB-CB 4.39Å; Q80-E128 PolarHBondContact NE2-OE2 2.84Å; Q80-E128 WeakPolarHBondContact O-CA 3.24Å; V82-E128 HydrophobicContact CG1-CG 4.45Å; K113-E128 PolarHBondContact N-O 3.27Å; K113-E128 PolarHBondContact O-N 3.28Å; V115-E128 HydrophobicContact CG1-CB 4.15Å; V115-E128 HydrophobicContact CG1-CG 3.68Å; I119-E128 HydrophobicContact CD1-CB 3.92Å; E128-H130 IonicContact OE1-CD2 3.83Å; E128-H130 IonicContact OE1-CE1 2.79Å; E128-H130 IonicContact OE1-NE2 3.66Å; E128-H130 PolarHBondContact OE1-NE2 3.44Å
129V98.4Very high96.3Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-109.1121.2178.1-172.80000111.6L43 L54 Q80 T81 V82 E111 V112 V131L43-V129 HydrophobicContact CD2-CG2 3.99Å; L54-V129 HydrophobicContact CD1-CG2 3.87Å; Q80-V129 PolarHBondContact O-N 3.3Å; T81-V129 CarbonylContact C-O 3.59Å; T81-V129 WeakPolarHBondContact CA-O 3.5Å; T81-V129 HydrophobicContact CG2-CB 3.95Å; T81-V129 HydrophobicContact CG2-CG2 4.46Å; V82-V129 PolarHBondContact N-O 3.47Å; E111-V129 CarbonylContact O-C 3.58Å; E111-V129 WeakPolarHBondContact O-CA 3.09Å; V112-V129 HydrophobicContact CG2-CG2 4.21Å; V129-V131 PolarHBondContact O-N 3.07Å
130H97.7Very high96.4Very high38 Ų3838.7 Ų38.718%0.17622%0.222CC..EExtended strand (participates in β ladder)trans-83.4104.5175.3-76-135.1000108.5V82 F84 G110 E111 K113 E128V82-H130 VanDerWaalsContact CG1-CD2 3.48Å; V82-H130 WeakPolarHBondContact CG1-CD2 3.45Å; F84-H130 AromaticContact CE2-CE1 3.76Å; G110-H130 CarbonylContact C-O 3.56Å; G110-H130 WeakPolarHBondContact CA-O 2.91Å; E111-H130 PolarHBondContact N-O 2.73Å; E111-H130 PolarHBondContact O-N 3.42Å; K113-H130 PolarHBondContact NZ-ND1 2.88Å; E128-H130 IonicContact OE1-CD2 3.83Å; E128-H130 IonicContact OE1-CE1 2.79Å; E128-H130 IonicContact OE1-NE2 3.66Å; E128-H130 PolarHBondContact OE1-NE2 3.44Å
131V97.6Very high96.5Very high8 Ų836.2 Ų36.25%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-73.4134.6-169.71770000111.3V82 M83 I89 M93 I108 V129 K133 F134V82-V131 PolarHBondContact O-N 2.79Å; M83-V131 HydrophobicContact CG-CB 3.55Å; M83-V131 HydrophobicContact CG-CG1 3.91Å; M83-V131 HydrophobicContact CG-CG2 4.09Å; M83-V131 HydrophobicContact SD-CB 4.47Å; M83-V131 HydrophobicContact SD-CG1 4.22Å; I89-V131 WeakPolarHBondContact CD1-O 3.42Å; M93-V131 HydrophobicContact CE-CG1 4.12Å; I108-V131 HydrophobicContact CG2-CB 4.44Å; I108-V131 HydrophobicContact CG2-CG1 4.18Å; I108-V131 HydrophobicContact CG2-CG2 3.79Å; V129-V131 PolarHBondContact O-N 3.07Å; V131-K133 WeakPolarHBondContact CG1-O 3.38Å; V131-F134 HydrophobicContact CG1-CB 4.26Å; V131-F134 HydrophobicContact CG1-CD2 4.28Å
132E95.6Very high96.6Very high52 Ų5239.4 Ų39.424%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-112.1-35.5172-69-178.9-161.700112.2K51 Y109K51-E132 WeakPolarHBondContact CE-OE1 3.41Å; K51-E132 IonicContact NZ-OE1 2.63Å; K51-E132 PolarHBondContact NZ-OE1 3Å; K51-E132 IonicContact NZ-OE2 2.89Å; K51-E132 PolarHBondContact NZ-OE2 2.64Å; Y109-E132 HydrophobicContact CD1-CB 4.04Å; Y109-E132 WeakPolarHBondContact CE1-OE2 3.42Å; Y109-E132 PolarHBondContact O-N 2.86Å
133K95.5Very high96.6Very high26 Ų2649.9 Ų49.911%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-135.6145.8175.8-47.7-177175.9-169.10111.7C9 N20 W53 I108 Y109 V131 F135C9-K133 PolarHBondContact SG-NZ 2.86Å; N20-K133 CarbonylContact O-C 3.56Å; N20-K133 WeakPolarHBondContact O-CA 3.34Å; N20-K133 WeakPolarHBondContact O-CB 3.34Å; W53-K133 HydrophobicContact CH2-CD 4.38Å; W53-K133 HydrophobicContact CZ2-CD 4.46Å; I108-K133 WeakPolarHBondContact CA-O 3.39Å; Y109-K133 HydrophobicContact CD1-CD 4.31Å; Y109-K133 HydrophobicContact CD1-CG 4.16Å; Y109-K133 PolarHBondContact N-O 3.01Å; Y109-K133 PolarHBondContact O-N 2.84Å; V131-K133 WeakPolarHBondContact CG1-O 3.38Å; K133-F135 HydrophobicContact CB-CD2 4.36Å; K133-F135 HydrophobicContact CB-CE2 3.63Å; K133-F135 HydrophobicContact CB-CZ 4.27Å; K133-F135 HydrophobicContact CD-CE2 4.13Å; K133-F135 HydrophobicContact CD-CZ 4.47Å; K133-F135 HydrophobicContact CG-CE2 4.48Å
134F96.5Very high96.7Very high0 Ų048.6 Ų48.60%025%0.251CS..EExtended strand (participates in β ladder)trans-143.5114.5-175.3-163.4-63000111.4N20 F21 G22 L58 V70 M83 M93 V97 I100 I106 I108 V131N20-F134 PolarHBondContact O-N 2.69Å; F21-F134 WeakPolarHBondContact CA-O 3.42Å; F21-F134 VanDerWaalsContact CB-O 3.3Å; F21-F134 WeakPolarHBondContact CB-O 3.39Å; G22-F134 PolarHBondContact N-O 3.32Å; L58-F134 HydrophobicContact CD1-CZ 4.25Å; V70-F134 HydrophobicContact CG1-CE2 4.35Å; V70-F134 HydrophobicContact CG2-CE2 4.29Å; M83-F134 HydrophobicContact SD-CD2 4.47Å; M93-F134 HydrophobicContact CE-CB 3.53Å; V97-F134 HydrophobicContact CG1-CD2 4.08Å; V97-F134 HydrophobicContact CG1-CE1 4.33Å; V97-F134 HydrophobicContact CG1-CE2 3.65Å; V97-F134 HydrophobicContact CG1-CZ 3.79Å; V97-F134 HydrophobicContact CG2-CB 4.05Å; V97-F134 HydrophobicContact CG2-CD1 3.78Å; V97-F134 HydrophobicContact CG2-CD2 3.77Å; V97-F134 HydrophobicContact CG2-CE1 4.2Å; V97-F134 HydrophobicContact CG2-CE2 4.14Å; V97-F134 HydrophobicContact CG2-CG 3.58Å; V97-F134 HydrophobicContact CG2-CZ 4.35Å; I100-F134 HydrophobicContact CD1-CD1 4Å; I100-F134 HydrophobicContact CD1-CE1 3.32Å; I100-F134 HydrophobicContact CD1-CZ 4Å; I106-F134 HydrophobicContact CB-CE1 3.92Å; I106-F134 HydrophobicContact CB-CZ 4.07Å; I106-F134 HydrophobicContact CD1-CE1 4.22Å; I106-F134 HydrophobicContact CD1-CE2 4.06Å; I106-F134 HydrophobicContact CD1-CZ 3.47Å; I106-F134 VanDerWaalsContact CD1-CZ 3.47Å; I106-F134 HydrophobicContact CG1-CZ 4.37Å; I106-F134 HydrophobicContact CG2-CE1 3.63Å; I106-F134 HydrophobicContact CG2-CZ 3.92Å; I108-F134 HydrophobicContact CD1-CD2 4.04Å; I108-F134 HydrophobicContact CD1-CE2 3.69Å; I108-F134 HydrophobicContact CD1-CZ 4.36Å; I108-F134 HydrophobicContact CG1-CD2 3.7Å; I108-F134 HydrophobicContact CG1-CE2 3.82Å; I108-F134 HydrophobicContact CG1-CG 4.28Å; I108-F134 HydrophobicContact CG1-CZ 4.46Å; V131-F134 HydrophobicContact CG1-CB 4.26Å; V131-F134 HydrophobicContact CG1-CD2 4.28Å
135F96.9Very high96.7Very high1 Ų152 Ų520%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-125.5142.5-178.8-58-79.2000112.3M12 T16 G22 Y24 W53 I106 D107 K133M12-F135 HydrophobicContact SD-CE2 4.18Å; T16-F135 HydrophobicContact CG2-CD1 3.7Å; T16-F135 HydrophobicContact CG2-CE1 3.75Å; T16-F135 WeakPolarHBondContact OG1-CE1 3.43Å; G22-F135 CarbonylContact O-C 3.32Å; G22-F135 VanDerWaalsContact O-CA 3.24Å; G22-F135 WeakPolarHBondContact O-CA 3.45Å; Y24-F135 HydrophobicContact CD1-CB 4.45Å; Y24-F135 HydrophobicContact CD2-CB 4.42Å; Y24-F135 HydrophobicContact CE1-CB 3.71Å; Y24-F135 AromaticContact CE1-CD1 3.87Å; Y24-F135 HydrophobicContact CE1-CD1 3.87Å; Y24-F135 HydrophobicContact CE1-CD2 4.28Å; Y24-F135 AromaticContact CE1-CG 3.69Å; Y24-F135 HydrophobicContact CE1-CG 3.69Å; Y24-F135 HydrophobicContact CE2-CB 3.68Å; Y24-F135 HydrophobicContact CE2-CG 4.45Å; Y24-F135 AromaticContact CZ-CD2 3.95Å; Y24-F135 AromaticContact CZ-CG 3.55Å; Y24-F135 WeakPolarHBondContact OH-CB 3.35Å; Y24-F135 WeakPolarHBondContact OH-CD2 3.41Å; Y24-F135 WeakPolarHBondContact OH-CG 3.49Å; W53-F135 HydrophobicContact CH2-CD2 4.16Å; W53-F135 AromaticContact CH2-CE2 3.94Å; W53-F135 HydrophobicContact CH2-CE2 3.94Å; W53-F135 HydrophobicContact CZ3-CD2 4.19Å; W53-F135 HydrophobicContact CZ3-CE2 4.42Å; I106-F135 CarbonylContact C-O 3.39Å; I106-F135 VanDerWaalsContact CA-O 3.24Å; I106-F135 WeakPolarHBondContact CA-O 3.37Å; D107-F135 HydrophobicContact CB-CB 4.44Å; D107-F135 PolarHBondContact N-O 3.25Å; D107-F135 PolarHBondContact O-N 3.3Å; K133-F135 HydrophobicContact CB-CD2 4.36Å; K133-F135 HydrophobicContact CB-CE2 3.63Å; K133-F135 HydrophobicContact CB-CZ 4.27Å; K133-F135 HydrophobicContact CD-CE2 4.13Å; K133-F135 HydrophobicContact CD-CZ 4.47Å; K133-F135 HydrophobicContact CG-CE2 4.48Å
136V97.6Very high96.6Very high2 Ų248.6 Ų48.61%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-91.4119.7171.8-177.90000108.9G22 S23 Y24 F96 I100 I106 T139G22-V136 PolarHBondContact O-N 3.27Å; S23-V136 WeakPolarHBondContact CA-O 3.31Å; Y24-V136 PolarHBondContact N-O 3.38Å; F96-V136 HydrophobicContact CE1-CG2 4.11Å; F96-V136 HydrophobicContact CZ-CG2 3.78Å; I100-V136 HydrophobicContact CD1-CG2 3.47Å; I100-V136 VanDerWaalsContact CD1-CG2 3.47Å; I100-V136 HydrophobicContact CG1-CG2 3.89Å; I100-V136 HydrophobicContact CG2-CG2 4.18Å; I106-V136 HydrophobicContact CG2-CG2 4.38Å; V136-T139 WeakPolarHBondContact CG1-OG1 3.49Å
137V96.9Very high96.4Very high28 Ų2847.7 Ų47.717%0.1725%0.252CS..EExtended strand (participates in β ladder)trans-80.4-46.2174.6179.90000110.6Y24 L27 I105 D107Y24-V137 HydrophobicContact CD2-CB 4.35Å; Y24-V137 HydrophobicContact CD2-CG2 3.91Å; Y24-V137 HydrophobicContact CE2-CG2 3.86Å; L27-V137 HydrophobicContact CD1-CG1 3.79Å; I105-V137 HydrophobicContact CB-CB 4.15Å; I105-V137 HydrophobicContact CG2-CB 3.86Å; I105-V137 HydrophobicContact CG2-CG1 4.26Å; I105-V137 HydrophobicContact CG2-CG2 4.17Å; I105-V137 PolarHBondContact O-N 2.95Å; D107-V137 HydrophobicContact CB-CG2 4.31Å; D107-V137 VanDerWaalsContact CG-CG2 3.48Å; D107-V137 VanDerWaalsContact OD1-CG2 3.29Å; D107-V137 WeakPolarHBondContact OD1-CG2 3.25Å
138N97.5Very high96.2Very high103 Ų10347.9 Ų47.955%0.55125%0.253SS*.EExtended strand (participates in β ladder)trans-151.2118.8179-169.21.6000109.7S104 I105S104-N138 CarbonylContact C-O 3.53Å; S104-N138 WeakPolarHBondContact CA-O 3.43Å; I105-N138 HydrophobicContact CB-CB 4.39Å; I105-N138 PolarHBondContact N-O 3.29Å; I105-N138 PolarHBondContact O-N 3.43Å
139T98Very high96Very high76 Ų7649 Ų4947%0.46626%0.258SS..PPolyproline II helixtrans-76.1128.1-178.8-51.70000110P101 V136P101-T139 HydrophobicContact CG-CG2 4.06Å; V136-T139 WeakPolarHBondContact CG1-OG1 3.49Å
140A98Very high95.7Very high24 Ų2451 Ų5120%0.19827%0.269CS..PPolyproline II helixtrans-77.3161.9171.800000111.7P101 R102 E103 S104P101-A140 HydrophobicContact CB-CB 4.42Å; P101-A140 WeakPolarHBondContact CB-O 3.34Å; P101-A140 WeakPolarHBondContact CG-O 3.39Å; R102-A140 VanDerWaalsContact O-CB 3.27Å; R102-A140 WeakPolarHBondContact O-CB 3.49Å; E103-A140 HydrophobicContact CB-CB 4.29Å; S104-A140 PolarHBondContact OG-N 3.33Å
141A96.6Very high95.6Very high69 Ų6949.3 Ų49.357%0.5726%0.261SS*.PPolyproline II helixtrans-61.114317000000110.6R143A141-R143 VanDerWaalsContact C-N 3.29Å; A141-R143 PolarHBondContact O-N 3.44Å
142L94.1Very high95.4Very high142 Ų14250.2 Ų50.274%0.74327%0.27SS*.SBendtrans-61.7-37.8-177.9-176.964.1000112.7P101P101-L142 HydrophobicContact CG-CD1 4.16Å
143R94Very high95.3Very high227 Ų22748.9 Ų48.986%0.85726%0.262SS*.SBendtrans-106.4120.2178-65.7-176.4-177.8-179.90.7109.2A141A141-R143 VanDerWaalsContact C-N 3.29Å; A141-R143 PolarHBondContact O-N 3.44Å
144L95.4Very high95.2Very high35 Ų3549.7 Ų49.718%0.18327%0.27CS..  trans-94.2142.3173.8-59.6174.9000109.5R102 E103 L146 L175R102-L144 HydrophobicContact CB-CD1 4.17Å; E103-L144 HydrophobicContact CB-CD1 4.17Å; E103-L144 HydrophobicContact CB-CD2 4.44Å; E103-L144 HydrophobicContact CG-CD1 3.69Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 WeakPolarHBondContact CB-O 3.42Å; L144-L146 PolarHBondContact O-N 3.4Å; L144-L175 HydrophobicContact CB-CD2 4.12Å; L144-L175 HydrophobicContact CD2-CD2 4.38Å
145P94.8Very high94.9Very high83 Ų8353.8 Ų53.854%0.53930%0.295SS..SBendtrans-69.8-23.4178.128.8-35.4000113N172 L175P145-N172 WeakPolarHBondContact CB-OD1 3.29Å; P145-N172 HydrophobicContact CG-CB 4.23Å; P145-N172 WeakPolarHBondContact CG-OD1 3.21Å; P145-L175 HydrophobicContact CG-CD2 4.24Å
146L94.4Very high94.4Very high8 Ų858.4 Ų58.44%0.04232%0.32CS..SBendtrans-142.4153.5167.763.280.1000109.9L144 I148 A151 V164 N172 L175L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 WeakPolarHBondContact CB-O 3.42Å; L144-L146 PolarHBondContact O-N 3.4Å; L146-I148 HydrophobicContact CD1-CD1 4.35Å; L146-A151 HydrophobicContact CD1-CB 4.11Å; L146-V164 HydrophobicContact CB-CG1 4.33Å; L146-V164 HydrophobicContact CB-CG2 4.42Å; L146-V164 HydrophobicContact CD2-CG1 4.47Å; L146-N172 HydrophobicContact CD2-CB 3.72Å; L146-N172 HydrophobicContact CG-CB 4.35Å; L146-L175 HydrophobicContact CD1-CB 4.1Å; L146-L175 HydrophobicContact CD1-CD2 3.71Å; L146-L175 HydrophobicContact CD1-CG 3.78Å; L146-L175 HydrophobicContact CG-CB 4.32Å; L146-L175 HydrophobicContact CG-CD2 3.86Å; L146-L175 HydrophobicContact CG-CG 4.3Å; L146-L175 WeakPolarHBondContact O-CD2 3.42Å
147Q93.4Very high93.8Very high51 Ų5161.4 Ų61.424%0.23834%0.336CS..  trans-92.4142.5169.9-59.6-64.5-48.200109.6E149 D150 A151Q147-E149 VanDerWaalsContact C-N 3.28Å; Q147-E149 PolarHBondContact O-N 2.75Å; Q147-D150 HydrophobicContact CB-CB 4.23Å; Q147-D150 WeakPolarHBondContact CB-OD2 3.39Å; Q147-D150 PolarHBondContact O-N 3.19Å; Q147-A151 PolarHBondContact O-N 3.37Å; Q147-A151 VanDerWaalsContact O-N 3.1Å
148I94.5Very high92.8Very high4 Ų468 Ų682%0.02137%0.37CS..Hα-helixtrans-65.2-37.5179.8-61.6-58.8000110.5E103 L146 A151 A152 L175 R178 T179E103-I148 HydrophobicContact CG-CG1 4.34Å; L146-I148 HydrophobicContact CD1-CD1 4.35Å; I148-A151 PolarHBondContact O-N 3.03Å; I148-A152 WeakPolarHBondContact O-CB 3.29Å; I148-A152 PolarHBondContact O-N 2.66Å; I148-L175 HydrophobicContact CD1-CD1 4.29Å; I148-L175 HydrophobicContact CD1-CG 3.97Å; I148-L175 VanDerWaalsContact CD1-O 3.29Å; I148-L175 WeakPolarHBondContact CD1-O 3.43Å; I148-R178 HydrophobicContact CD1-CB 3.99Å; I148-T179 HydrophobicContact CG2-CG2 4.3Å
149E92Very high91.8Very high52 Ų5264.8 Ų64.824%0.24336%0.362CS..Hα-helixtrans-64.6-39.6179.4-58.682.9176.600111.8H59 T60 R102 Q147 R153H59-E149 IonicContact CE1-OE1 3.78Å; H59-E149 PolarHBondContact CE1-OE1 3.19Å; H59-E149 IonicContact ND1-OE1 2.74Å; H59-E149 PolarHBondContact ND1-OE1 2.95Å; H59-E149 IonicContact NE2-OE1 3.59Å; T60-E149 VanDerWaalsContact CG2-OE1 3.22Å; T60-E149 WeakPolarHBondContact CG2-OE1 3.34Å; R102-E149 IonicContact NH1-OE2 2.92Å; Q147-E149 VanDerWaalsContact C-N 3.28Å; Q147-E149 PolarHBondContact O-N 2.75Å; E149-R153 PolarHBondContact O-N 3.07Å
150D93.5Very high90.7Very high42 Ų4271.1 Ų71.123%0.22539%0.386CS..Hα-helixtrans-72.1-36.5178-64.4-29.7000111.7Q147 A152 R153 V164Q147-D150 HydrophobicContact CB-CB 4.23Å; Q147-D150 WeakPolarHBondContact CB-OD2 3.39Å; Q147-D150 PolarHBondContact O-N 3.19Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-R153 IonicContact OD1-CZ 3.86Å; D150-R153 IonicContact OD1-NH1 3.07Å; D150-R153 IonicContact OD1-NH2 3.52Å; D150-R153 PolarHBondContact OD1-NH2 2.68Å; D150-V164 HydrophobicContact CB-CG2 3.71Å
151A94.8Very high90Very high2 Ų275.2 Ų75.22%0.01740%0.404CS..Hα-helixtrans-76.3-20177.900000113.6L146 Q147 I148 V164 T179 Q321L146-A151 HydrophobicContact CD1-CB 4.11Å; Q147-A151 PolarHBondContact O-N 3.37Å; Q147-A151 VanDerWaalsContact O-N 3.1Å; I148-A151 PolarHBondContact O-N 3.03Å; A151-V164 HydrophobicContact CB-CB 4.45Å; A151-V164 HydrophobicContact CB-CG2 4.16Å; A151-T179 HydrophobicContact CB-CG2 3.81Å; A151-Q321 PolarHBondContact O-NE2 2.82Å
152A93.6Very high89.4Confident28 Ų2875.7 Ų75.723%0.23140%0.403CS..THydrogen-bonded Turntrans-96.7-3.6179.300000113.9I148 D150 T179I148-A152 WeakPolarHBondContact O-CB 3.29Å; I148-A152 PolarHBondContact O-N 2.66Å; D150-A152 VanDerWaalsContact C-N 3.34Å; A152-T179 HydrophobicContact CB-CG2 4.3Å
153R93.1Very high89Confident23 Ų2373.1 Ų73.19%0.08739%0.387CS..SBendtrans-63.3139-178.8-168.3173.7-66.6124.518.3111.1E149 D150 D157 L161 S162 H163 Q321E149-R153 PolarHBondContact O-N 3.07Å; D150-R153 IonicContact OD1-CZ 3.86Å; D150-R153 IonicContact OD1-NH1 3.07Å; D150-R153 IonicContact OD1-NH2 3.52Å; D150-R153 PolarHBondContact OD1-NH2 2.68Å; R153-D157 WeakPolarHBondContact CD-OD2 3.44Å; R153-D157 HydrophobicContact CG-CB 3.97Å; R153-D157 WeakPolarHBondContact CG-OD2 3.46Å; R153-D157 IonicContact NE-OD2 3.65Å; R153-L161 PolarHBondContact NH1-O 3.38Å; R153-L161 VanDerWaalsContact NH1-O 3.07Å; R153-S162 VanDerWaalsContact NH1-N 3.13Å; R153-S162 PolarHBondContact NH1-O 3.28Å; R153-H163 VanDerWaalsContact CD-CE1 3.42Å; R153-H163 WeakPolarHBondContact CD-CE1 3.24Å; R153-Q321 WeakPolarHBondContact O-CG 3.23Å; R153-Q321 PolarHBondContact O-NE2 3.49Å; R153-Q321 VanDerWaalsContact O-NE2 3.08Å
154P93.3Very high88.9Confident43 Ų4363.6 Ų63.628%0.27935%0.354SS..  trans-53.7143.6175.3-23.333.3000112.2D156 D157 H163 K320 Q321P154-D156 VanDerWaalsContact CB-OD1 3.29Å; P154-D156 WeakPolarHBondContact CB-OD1 2.97Å; P154-D156 PolarHBondContact O-N 2.89Å; P154-D157 HydrophobicContact CB-CB 4.31Å; P154-D157 PolarHBondContact O-N 3.29Å; P154-H163 PolarHBondContact O-CE1 2.57Å; P154-K320 WeakPolarHBondContact CG-O 3.36Å; P154-Q321 WeakPolarHBondContact CA-O 3.47Å
155V90.5Very high88.8Confident86 Ų8666.7 Ų66.752%0.52137%0.371SS..THydrogen-bonded Turntrans-72.9-16.8-177.2-64.40000113.8Q321 Y322V155-Q321 PolarHBondContact N-O 3.15Å; V155-Y322 HydrophobicContact CG1-CD1 3.63Å; V155-Y322 HydrophobicContact CG1-CE1 3.37Å; V155-Y322 HydrophobicContact CG2-CD1 4.14Å
156D86.8Confident88.8Confident98 Ų9864.8 Ų64.852%0.52436%0.356SS..THydrogen-bonded Turntrans-104.610.8179.564.3-30.5000112.7P154 D158 P323P154-D156 VanDerWaalsContact CB-OD1 3.29Å; P154-D156 WeakPolarHBondContact CB-OD1 2.97Å; P154-D156 PolarHBondContact O-N 2.89Å; D156-D158 PolarHBondContact O-N 3.45Å; D156-P323 WeakPolarHBondContact OD2-CG 3.47Å
157D83.8Confident88.8Confident65 Ų6568.9 Ų68.935%0.34838%0.378SS..  trans-71.6109.2174.9-173.914000110.3R153 P154 G159R153-D157 WeakPolarHBondContact CD-OD2 3.44Å; R153-D157 HydrophobicContact CG-CB 3.97Å; R153-D157 WeakPolarHBondContact CG-OD2 3.46Å; R153-D157 IonicContact NE-OD2 3.65Å; P154-D157 HydrophobicContact CB-CB 4.31Å; P154-D157 PolarHBondContact O-N 3.29Å; D157-G159 PolarHBondContact O-N 3.44Å; D157-G159 VanDerWaalsContact O-N 3.15Å; D157-G159 PolarHBondContact OD1-N 2.95Å; D157-G159 VanDerWaalsContact OD1-N 3.1Å
158D76.2Confident89Confident167 Ų16768.8 Ų68.889%0.89338%0.381SS*.  trans-73.46.2175.3-70.4-27.2000113.3D156D156-D158 PolarHBondContact O-N 3.45Å
159G77.1Confident89.1Confident36 Ų3669.1 Ų69.137%0.37138%0.382SS..SBendtrans-60.1157.1178.500000114D157 L161D157-G159 PolarHBondContact O-N 3.44Å; D157-G159 VanDerWaalsContact O-N 3.15Å; D157-G159 PolarHBondContact OD1-N 2.95Å; D157-G159 VanDerWaalsContact OD1-N 3.1Å; G159-L161 PolarHBondContact O-N 3.05Å
160Q75.7Confident89.3Confident209 Ų20966.7 Ų66.798%0.97737%0.37SS*.SBendtrans-72.65177.1-65.7-172.5-4.900114.3
161L83Confident89.5Confident110 Ų11069.2 Ų69.258%0.57638%0.384SS*.SBendtrans-91.6146.7-172.5-61.7173.8000111.2R153 G159R153-L161 PolarHBondContact NH1-O 3.38Å; R153-L161 VanDerWaalsContact NH1-O 3.07Å; G159-L161 PolarHBondContact O-N 3.05Å
162S83Confident89.6Confident79 Ų7971.3 Ų71.355%0.55240%0.395SS*.PPolyproline II helixtrans-74.5126.8-174.152.50000115.1R153R153-S162 VanDerWaalsContact NH1-N 3.13Å; R153-S162 PolarHBondContact NH1-O 3.28Å
163H86.9Confident89.8Confident87 Ų8770.1 Ų70.140%0.40338%0.384SS..PPolyproline II helixtrans-84150.5169.3-60.9-96.9000111.5R153 P154R153-H163 VanDerWaalsContact CD-CE1 3.42Å; R153-H163 WeakPolarHBondContact CD-CE1 3.24Å; P154-H163 PolarHBondContact O-CE1 2.57Å
164V91.7Very high90.1Very high28 Ų2873.3 Ų73.317%0.1741%0.406CS..PPolyproline II helixtrans-90.7121.2171.9-167.20000109.2L146 D150 A151 T168 R169L146-V164 HydrophobicContact CB-CG1 4.33Å; L146-V164 HydrophobicContact CB-CG2 4.42Å; L146-V164 HydrophobicContact CD2-CG1 4.47Å; D150-V164 HydrophobicContact CB-CG2 3.71Å; A151-V164 HydrophobicContact CB-CB 4.45Å; A151-V164 HydrophobicContact CB-CG2 4.16Å; V164-T168 HydrophobicContact CG1-CG2 3.8Å; V164-R169 HydrophobicContact CB-CG 3.93Å; V164-R169 HydrophobicContact CG1-CG 3.61Å; V164-R169 WeakPolarHBondContact O-CD 3.41Å
165N93.4Very high90.2Very high99 Ų9972 Ų7253%0.52940%0.397SS..PPolyproline II helixtrans-65.1158.117770.235.1000111.9D167 T168 R169N165-D167 PolarHBondContact O-N 3.37Å; N165-T168 PolarHBondContact O-N 3.1Å; N165-T168 WeakPolarHBondContact OD1-CB 3.4Å; N165-T168 PolarHBondContact OD1-N 2.69Å; N165-T168 PolarHBondContact OD1-OG1 2.69Å; N165-R169 WeakPolarHBondContact O-CG 3.36Å; N165-R169 PolarHBondContact O-N 2.98Å; N165-R169 VanDerWaalsContact O-N 3.14Å
166L94.5Very high90.6Very high44 Ų4467.9 Ų67.923%0.2337%0.372CS..Hα-helixtrans-60.2-43.5-174.1-178.459.1000112.6T168 R169 L170 N475 R477 L478L166-T168 PolarHBondContact O-N 2.95Å; L166-R169 WeakPolarHBondContact O-CB 3.34Å; L166-R169 PolarHBondContact O-N 2.73Å; L166-R169 VanDerWaalsContact O-N 3.12Å; L166-L170 HydrophobicContact CD1-CD1 4.16Å; L166-L170 HydrophobicContact CD1-CD2 4.3Å; L166-L170 HydrophobicContact CD1-CG 3.99Å; L166-L170 HydrophobicContact CG-CD1 3.95Å; L166-L170 HydrophobicContact CG-CG 4.2Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.22Å; L166-L170 PolarHBondContact O-N 2.89Å; L166-N475 HydrophobicContact CD2-CB 4.27Å; L166-R477 HydrophobicContact CD2-CB 4.29Å; L166-L478 HydrophobicContact CD1-CD2 3.69Å; L166-L478 HydrophobicContact CD1-CG 4.43Å
167D94.8Very high91.1Very high94 Ų9464.2 Ų64.250%0.50335%0.352SS..Hα-helixtrans-62.3-43.6-178.9-76-45.8000112.5N165 R169 L170 D171 R488N165-D167 PolarHBondContact O-N 3.37Å; D167-R169 VanDerWaalsContact C-N 3.26Å; D167-R169 PolarHBondContact O-N 2.83Å; D167-L170 PolarHBondContact O-N 3.33Å; D167-L170 VanDerWaalsContact O-N 3.12Å; D167-D171 WeakPolarHBondContact O-CB 3.45Å; D167-D171 PolarHBondContact O-N 3.47Å; D167-R488 IonicContact OD1-NH2 2.93Å; D167-R488 PolarHBondContact OD1-NH2 3.16Å
168T96.1Very high91.7Very high48 Ų4863.6 Ų63.629%0.29435%0.345SS..Hα-helixtrans-62.2-36.2175.7-55.30000111.4V164 N165 L166 N172V164-T168 HydrophobicContact CG1-CG2 3.8Å; N165-T168 PolarHBondContact O-N 3.1Å; N165-T168 WeakPolarHBondContact OD1-CB 3.4Å; N165-T168 PolarHBondContact OD1-N 2.69Å; N165-T168 PolarHBondContact OD1-OG1 2.69Å; L166-T168 PolarHBondContact O-N 2.95Å; T168-N172 WeakPolarHBondContact O-CB 3.24Å; T168-N172 PolarHBondContact O-N 3.29Å; T168-N172 PolarHBondContact O-ND2 3.36Å
169R97.3Very high92.7Very high11 Ų1155.7 Ų55.74%0.04230%0.303CS..Hα-helixtrans-65.9-42.5174.8-67172.664.5-178-1.6111.5V164 N165 L166 D167 N172 R173 D176 Y322V164-R169 HydrophobicContact CB-CG 3.93Å; V164-R169 HydrophobicContact CG1-CG 3.61Å; V164-R169 WeakPolarHBondContact O-CD 3.41Å; N165-R169 WeakPolarHBondContact O-CG 3.36Å; N165-R169 PolarHBondContact O-N 2.98Å; N165-R169 VanDerWaalsContact O-N 3.14Å; L166-R169 WeakPolarHBondContact O-CB 3.34Å; L166-R169 PolarHBondContact O-N 2.73Å; L166-R169 VanDerWaalsContact O-N 3.12Å; D167-R169 VanDerWaalsContact C-N 3.26Å; D167-R169 PolarHBondContact O-N 2.83Å; R169-N172 CarbonylContact O-C 3.56Å; R169-N172 PolarHBondContact O-N 3.01Å; R169-R173 VanDerWaalsContact O-CA 3.26Å; R169-R173 WeakPolarHBondContact O-CA 3.42Å; R169-R173 PolarHBondContact O-N 2.65Å; R169-D176 HydrophobicContact CB-CB 4.17Å; R169-D176 IonicContact CZ-OD1 3.56Å; R169-D176 IonicContact NE-OD1 2.69Å; R169-D176 PolarHBondContact NE-OD1 2.87Å; R169-D176 IonicContact NH2-OD1 3.36Å; R169-D176 PolarHBondContact NH2-OD1 2.94Å; R169-D176 IonicContact NH2-OD2 3.44Å; R169-D176 WeakPolarHBondContact O-CB 2.85Å; R169-Y322 PolarHBondContact NH1-OH 3.28Å
170L97.2Very high93.6Very high1 Ų155.7 Ų55.71%0.00530%0.296CS..Hα-helixtrans-72.6-36.5179.4-65.4179.7000112.5L166 D167 N172 R173 R477 P483 P491L166-L170 HydrophobicContact CD1-CD1 4.16Å; L166-L170 HydrophobicContact CD1-CD2 4.3Å; L166-L170 HydrophobicContact CD1-CG 3.99Å; L166-L170 HydrophobicContact CG-CD1 3.95Å; L166-L170 HydrophobicContact CG-CG 4.2Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.22Å; L166-L170 PolarHBondContact O-N 2.89Å; D167-L170 PolarHBondContact O-N 3.33Å; D167-L170 VanDerWaalsContact O-N 3.12Å; L170-N172 PolarHBondContact O-N 2.75Å; L170-R173 VanDerWaalsContact O-CB 3.32Å; L170-R173 WeakPolarHBondContact O-CB 3.49Å; L170-R173 PolarHBondContact O-N 2.8Å; L170-R477 HydrophobicContact CD1-CB 4.01Å; L170-R477 HydrophobicContact CD1-CG 4.4Å; L170-P483 HydrophobicContact CD1-CG 4.3Å; L170-P483 HydrophobicContact CD2-CG 3.78Å; L170-P491 WeakPolarHBondContact O-CD 3.42Å
171D97.2Very high94.5Very high95 Ų9546 Ų4651%0.50825%0.251SS..Hα-helixtrans-64.8-25.9173.9-66-7.8000111.3D167 R488D167-D171 WeakPolarHBondContact O-CB 3.45Å; D167-D171 PolarHBondContact O-N 3.47Å; D171-R488 IonicContact OD1-CZ 2.77Å; D171-R488 IonicContact OD1-NH1 2.95Å; D171-R488 PolarHBondContact OD1-NH1 3.11Å; D171-R488 IonicContact OD1-NH2 3.78Å; D171-R488 PolarHBondContact OD1-NH2 3.06Å; D171-R488 VanDerWaalsContact OD1-NH2 3.07Å
172N97.4Very high95.2Very high47 Ų4740.8 Ų40.825%0.25122%0.224SC..THydrogen-bonded Turntrans-114.936.8176.8-61.5-80.5000111.7P145 L146 T168 R169 L170 V174 L175 D176P145-N172 WeakPolarHBondContact CB-OD1 3.29Å; P145-N172 HydrophobicContact CG-CB 4.23Å; P145-N172 WeakPolarHBondContact CG-OD1 3.21Å; L146-N172 HydrophobicContact CD2-CB 3.72Å; L146-N172 HydrophobicContact CG-CB 4.35Å; T168-N172 WeakPolarHBondContact O-CB 3.24Å; T168-N172 PolarHBondContact O-N 3.29Å; T168-N172 PolarHBondContact O-ND2 3.36Å; R169-N172 CarbonylContact O-C 3.56Å; R169-N172 PolarHBondContact O-N 3.01Å; L170-N172 PolarHBondContact O-N 2.75Å; N172-V174 PolarHBondContact O-N 2.9Å; N172-V174 VanDerWaalsContact O-N 3.07Å; N172-L175 PolarHBondContact O-N 3.4Å; N172-D176 PolarHBondContact O-N 3.37Å; N172-D176 VanDerWaalsContact O-N 3.16Å
173R98Very high95.9Very high2 Ų239.2 Ų39.21%0.00821%0.208CC..Hα-helixtrans-52.9-38.3-167.8-169.751.3162.3-169.6-18.4114R169 L170 L175 D176 L177 Y186 R477 S480 M481 F482 P491R169-R173 VanDerWaalsContact O-CA 3.26Å; R169-R173 WeakPolarHBondContact O-CA 3.42Å; R169-R173 PolarHBondContact O-N 2.65Å; L170-R173 VanDerWaalsContact O-CB 3.32Å; L170-R173 WeakPolarHBondContact O-CB 3.49Å; L170-R173 PolarHBondContact O-N 2.8Å; R173-L175 PolarHBondContact O-N 3.13Å; R173-D176 IonicContact CZ-OD2 3.8Å; R173-D176 IonicContact NH1-OD2 3.73Å; R173-D176 PolarHBondContact NH1-OD2 3.21Å; R173-D176 PolarHBondContact O-N 3.42Å; R173-L177 HydrophobicContact CG-CD1 4.08Å; R173-L177 HydrophobicContact CG-CG 4.06Å; R173-L177 WeakPolarHBondContact O-CB 3.43Å; R173-L177 WeakPolarHBondContact O-CG 3.41Å; R173-L177 PolarHBondContact O-N 2.74Å; R173-Y186 PolarHBondContact NH2-OH 2.91Å; R173-R477 PolarHBondContact NH2-O 2.94Å; R173-R477 VanDerWaalsContact NH2-O 3.08Å; R173-S480 PolarHBondContact NH2-O 3.19Å; R173-M481 WeakPolarHBondContact CG-O 3.43Å; R173-M481 PolarHBondContact NE-O 2.89Å; R173-F482 HydrophobicContact CB-CD1 4.29Å; R173-F482 HydrophobicContact CB-CE1 4.17Å; R173-F482 HydrophobicContact CG-CD1 3.9Å; R173-F482 HydrophobicContact CG-CE1 3.87Å; R173-P491 HydrophobicContact CB-CG 4.11Å
174V97.4Very high96.4Very high91 Ų9135.1 Ų35.155%0.55219%0.19SC*.Hα-helixtrans-59-33.41781770000112.6N172 R178N172-V174 PolarHBondContact O-N 2.9Å; N172-V174 VanDerWaalsContact O-N 3.07Å; V174-R178 WeakPolarHBondContact O-CG 3.48Å; V174-R178 PolarHBondContact O-NE 3.05Å
175L97Very high96.7Very high14 Ų1433.9 Ų33.97%0.07318%0.182CC..Hα-helixtrans-82.4-41.8177-15863.9000110.9E103 L144 P145 L146 I148 N172 R173 L177 R178E103-L175 HydrophobicContact CG-CD1 4.26Å; L144-L175 HydrophobicContact CB-CD2 4.12Å; L144-L175 HydrophobicContact CD2-CD2 4.38Å; P145-L175 HydrophobicContact CG-CD2 4.24Å; L146-L175 HydrophobicContact CD1-CB 4.1Å; L146-L175 HydrophobicContact CD1-CD2 3.71Å; L146-L175 HydrophobicContact CD1-CG 3.78Å; L146-L175 HydrophobicContact CG-CB 4.32Å; L146-L175 HydrophobicContact CG-CD2 3.86Å; L146-L175 HydrophobicContact CG-CG 4.3Å; L146-L175 WeakPolarHBondContact O-CD2 3.42Å; I148-L175 HydrophobicContact CD1-CD1 4.29Å; I148-L175 HydrophobicContact CD1-CG 3.97Å; I148-L175 VanDerWaalsContact CD1-O 3.29Å; I148-L175 WeakPolarHBondContact CD1-O 3.43Å; N172-L175 PolarHBondContact O-N 3.4Å; R173-L175 PolarHBondContact O-N 3.13Å; L175-L177 VanDerWaalsContact C-N 3.32Å; L175-L177 PolarHBondContact O-N 2.88Å; L175-R178 VanDerWaalsContact CD1-NH1 3.3Å; L175-R178 VanDerWaalsContact O-CB 3.25Å; L175-R178 WeakPolarHBondContact O-CB 3.45Å; L175-R178 WeakPolarHBondContact O-CG 3.37Å; L175-R178 PolarHBondContact O-N 3.25Å
176D97.7Very high97Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-58.7-40.1175.6172.473.1000113.2R169 N172 R173 R178 T179 S182R169-D176 HydrophobicContact CB-CB 4.17Å; R169-D176 IonicContact CZ-OD1 3.56Å; R169-D176 IonicContact NE-OD1 2.69Å; R169-D176 PolarHBondContact NE-OD1 2.87Å; R169-D176 IonicContact NH2-OD1 3.36Å; R169-D176 PolarHBondContact NH2-OD1 2.94Å; R169-D176 IonicContact NH2-OD2 3.44Å; R169-D176 WeakPolarHBondContact O-CB 2.85Å; N172-D176 PolarHBondContact O-N 3.37Å; N172-D176 VanDerWaalsContact O-N 3.16Å; R173-D176 IonicContact CZ-OD2 3.8Å; R173-D176 IonicContact NH1-OD2 3.73Å; R173-D176 PolarHBondContact NH1-OD2 3.21Å; R173-D176 PolarHBondContact O-N 3.42Å; D176-R178 PolarHBondContact O-N 2.82Å; D176-T179 WeakPolarHBondContact O-CB 3.31Å; D176-T179 WeakPolarHBondContact O-CG2 3.48Å; D176-T179 PolarHBondContact O-N 2.81Å; D176-T179 PolarHBondContact O-OG1 2.77Å; D176-S182 WeakPolarHBondContact O-CB 3.18Å; D176-S182 PolarHBondContact O-OG 3.35Å; D176-S182 PolarHBondContact OD2-OG 2.63Å
177L97.8Very high97.1Very high21 Ų2132.2 Ų32.211%0.1117%0.165CC..THydrogen-bonded Turntrans-59.9-11.9176.3-73.2174.4000113.2R173 L175 Q183 Y186 M481 F482R173-L177 HydrophobicContact CG-CD1 4.08Å; R173-L177 HydrophobicContact CG-CG 4.06Å; R173-L177 WeakPolarHBondContact O-CB 3.43Å; R173-L177 WeakPolarHBondContact O-CG 3.41Å; R173-L177 PolarHBondContact O-N 2.74Å; L175-L177 VanDerWaalsContact C-N 3.32Å; L175-L177 PolarHBondContact O-N 2.88Å; L177-Q183 PolarHBondContact O-NE2 3.11Å; L177-Y186 HydrophobicContact CD2-CD2 3.61Å; L177-Y186 HydrophobicContact CD2-CE2 3.25Å; L177-M481 HydrophobicContact CD1-CG 3.78Å; L177-M481 HydrophobicContact CD1-SD 4.25Å; L177-M481 HydrophobicContact CD2-CG 3.94Å; L177-F482 HydrophobicContact CD1-CE1 4.35Å; L177-F482 HydrophobicContact CD1-CZ 3.97Å
178R97.4Very high97.3Very high53 Ų5327.7 Ų27.720%0.214%0.141CC..THydrogen-bonded Turntrans-87.4-9.8176.4-50.3-177.9-171.7174.51113.4R57 R73 E103 I148 V174 L175 D176R57-R178 VanDerWaalsContact CZ-CZ 3.47Å; R57-R178 VanDerWaalsContact CZ-NH1 3.33Å; R57-R178 VanDerWaalsContact NH1-NH1 3.17Å; R73-R178 PolarHBondContact NH1-O 3.26Å; E103-R178 WeakPolarHBondContact OE2-CD 3.37Å; E103-R178 IonicContact OE2-CZ 2.93Å; E103-R178 IonicContact OE2-NE 2.76Å; E103-R178 IonicContact OE2-NH1 3.38Å; E103-R178 PolarHBondContact OE2-NH1 3.47Å; I148-R178 HydrophobicContact CD1-CB 3.99Å; V174-R178 WeakPolarHBondContact O-CG 3.48Å; V174-R178 PolarHBondContact O-NE 3.05Å; L175-R178 VanDerWaalsContact CD1-NH1 3.3Å; L175-R178 VanDerWaalsContact O-CB 3.25Å; L175-R178 WeakPolarHBondContact O-CB 3.45Å; L175-R178 WeakPolarHBondContact O-CG 3.37Å; L175-R178 PolarHBondContact O-N 3.25Å; D176-R178 PolarHBondContact O-N 2.82Å
179T96.5Very high97.4Very high0 Ų026.5 Ų26.50%013%0.132CC..SBendtrans-63.4148174.2620000110.2I148 A151 A152 D176 T181 S182 Q183I148-T179 HydrophobicContact CG2-CG2 4.3Å; A151-T179 HydrophobicContact CB-CG2 3.81Å; A152-T179 HydrophobicContact CB-CG2 4.3Å; D176-T179 WeakPolarHBondContact O-CB 3.31Å; D176-T179 WeakPolarHBondContact O-CG2 3.48Å; D176-T179 PolarHBondContact O-N 2.81Å; D176-T179 PolarHBondContact O-OG1 2.77Å; T179-T181 PolarHBondContact O-N 2.81Å; T179-S182 PolarHBondContact O-N 3Å; T179-S182 VanDerWaalsContact OG1-CB 3.27Å; T179-S182 WeakPolarHBondContact OG1-CB 3.41Å; T179-S182 PolarHBondContact OG1-N 3.17Å; T179-S182 PolarHBondContact OG1-OG 2.99Å; T179-S182 VanDerWaalsContact OG1-OG 3.11Å; T179-Q183 WeakPolarHBondContact O-CB 3.44Å; T179-Q183 WeakPolarHBondContact O-CG 3.45Å; T179-Q183 PolarHBondContact O-N 3.29Å
180P94.8Very high97.5Very high37 Ų3728.8 Ų28.824%0.2415%0.154CC..Hα-helixtrans-55.2-40.3176.6-26.235.3000112.4Q183 A184 T317P180-Q183 WeakPolarHBondContact O-CB 3.36Å; P180-Q183 PolarHBondContact O-N 2.76Å; P180-A184 WeakPolarHBondContact O-CB 3.38Å; P180-A184 PolarHBondContact O-N 2.95Å; P180-T317 HydrophobicContact CB-CG2 3.75Å
181T96.5Very high97.6Very high5 Ų531.9 Ų31.93%0.03117%0.167CC..Hα-helixtrans-64.3-50.5178.7-53.70000112.7T179 Q183 A184 I185 V318 Q321 Y322T179-T181 PolarHBondContact O-N 2.81Å; T181-Q183 VanDerWaalsContact C-N 3.28Å; T181-Q183 PolarHBondContact O-N 2.9Å; T181-A184 PolarHBondContact O-N 3.01Å; T181-A184 VanDerWaalsContact O-N 3.13Å; T181-I185 HydrophobicContact CG2-CD1 4Å; T181-I185 WeakPolarHBondContact O-CG1 3.41Å; T181-I185 PolarHBondContact O-N 3.22Å; T181-V318 HydrophobicContact CG2-CB 4.49Å; T181-V318 HydrophobicContact CG2-CG1 4.33Å; T181-V318 HydrophobicContact CG2-CG2 4.31Å; T181-Q321 HydrophobicContact CG2-CB 4.15Å; T181-Q321 WeakPolarHBondContact OG1-CB 3.44Å; T181-Q321 PolarHBondContact OG1-OE1 2.81Å; T181-Y322 HydrophobicContact CG2-CD2 3.77Å; T181-Y322 HydrophobicContact CG2-CE2 3.67Å
182S97.4Very high97.6Very high1 Ų127.4 Ų27.41%0.00714%0.143CC..Hα-helixtrans-62-39.6176.6-66.30000110.8D176 T179 A184 I185 Y186D176-S182 WeakPolarHBondContact O-CB 3.18Å; D176-S182 PolarHBondContact O-OG 3.35Å; D176-S182 PolarHBondContact OD2-OG 2.63Å; T179-S182 PolarHBondContact O-N 3Å; T179-S182 VanDerWaalsContact OG1-CB 3.27Å; T179-S182 WeakPolarHBondContact OG1-CB 3.41Å; T179-S182 PolarHBondContact OG1-N 3.17Å; T179-S182 PolarHBondContact OG1-OG 2.99Å; T179-S182 VanDerWaalsContact OG1-OG 3.11Å; S182-A184 VanDerWaalsContact C-N 3.32Å; S182-A184 PolarHBondContact O-N 2.74Å; S182-I185 PolarHBondContact O-N 2.93Å; S182-Y186 WeakPolarHBondContact O-CD2 3.45Å; S182-Y186 PolarHBondContact O-N 2.9Å
183Q97.2Very high97.7Very high45 Ų4526.2 Ų26.221%0.2114%0.138CC..Hα-helixtrans-58.7-41.5173.7-75.8-68.4-55.500112.7H76 L177 T179 P180 T181 R187H76-Q183 HydrophobicContact CB-CB 4.46Å; L177-Q183 PolarHBondContact O-NE2 3.11Å; T179-Q183 WeakPolarHBondContact O-CB 3.44Å; T179-Q183 WeakPolarHBondContact O-CG 3.45Å; T179-Q183 PolarHBondContact O-N 3.29Å; P180-Q183 WeakPolarHBondContact O-CB 3.36Å; P180-Q183 PolarHBondContact O-N 2.76Å; T181-Q183 VanDerWaalsContact C-N 3.28Å; T181-Q183 PolarHBondContact O-N 2.9Å; Q183-R187 WeakPolarHBondContact O-CD 3.29Å; Q183-R187 VanDerWaalsContact O-CG 3.32Å; Q183-R187 WeakPolarHBondContact O-CG 3.47Å; Q183-R187 PolarHBondContact O-N 2.79Å
184A97.3Very high97.8Very high2 Ų229.7 Ų29.72%0.01715%0.154CC..Hα-helixtrans-68.4-46178.300000112.1P180 T181 S182 Y186 R187 I188 E314 T317 V318P180-A184 WeakPolarHBondContact O-CB 3.38Å; P180-A184 PolarHBondContact O-N 2.95Å; T181-A184 PolarHBondContact O-N 3.01Å; T181-A184 VanDerWaalsContact O-N 3.13Å; S182-A184 VanDerWaalsContact C-N 3.32Å; S182-A184 PolarHBondContact O-N 2.74Å; A184-Y186 VanDerWaalsContact C-N 3.33Å; A184-Y186 PolarHBondContact O-N 2.77Å; A184-R187 PolarHBondContact O-N 3.08Å; A184-I188 WeakPolarHBondContact O-CG1 3.27Å; A184-I188 PolarHBondContact O-N 3.1Å; A184-E314 HydrophobicContact CB-CB 3.83Å; A184-E314 HydrophobicContact CB-CG 4.05Å; A184-E314 WeakPolarHBondContact CB-O 3.34Å; A184-T317 HydrophobicContact CB-CG2 3.99Å; A184-V318 HydrophobicContact CB-CG2 3.74Å
185I98.5Very high97.8Very high2 Ų226.1 Ų26.11%0.0113%0.131CC..Hα-helixtrans-53.6-49.1178.1-70.9168.3000111T181 S182 R187 I188 Q189 V318 T467 L471 L473 T479T181-I185 HydrophobicContact CG2-CD1 4Å; T181-I185 WeakPolarHBondContact O-CG1 3.41Å; T181-I185 PolarHBondContact O-N 3.22Å; S182-I185 PolarHBondContact O-N 2.93Å; I185-R187 VanDerWaalsContact C-N 3.35Å; I185-R187 PolarHBondContact O-N 2.96Å; I185-I188 PolarHBondContact O-N 3.37Å; I185-Q189 WeakPolarHBondContact O-CB 3.35Å; I185-Q189 PolarHBondContact O-N 3.48Å; I185-V318 HydrophobicContact CG1-CG1 4.39Å; I185-V318 HydrophobicContact CG1-CG2 3.71Å; I185-T467 HydrophobicContact CG2-CG2 4.23Å; I185-L471 HydrophobicContact CG1-CD1 4.08Å; I185-L473 HydrophobicContact CD1-CD1 3.84Å; I185-L473 HydrophobicContact CG1-CD1 4.27Å; I185-T479 HydrophobicContact CG2-CG2 3.94Å
186Y98.4Very high97.9Very high23 Ų2325.4 Ų25.49%0.0913%0.127CC..Hα-helixtrans-75-22.1-176.2-69.8-65.4000114.2R173 L177 S182 A184 A190 L478 S480 M481R173-Y186 PolarHBondContact NH2-OH 2.91Å; L177-Y186 HydrophobicContact CD2-CD2 3.61Å; L177-Y186 HydrophobicContact CD2-CE2 3.25Å; S182-Y186 WeakPolarHBondContact O-CD2 3.45Å; S182-Y186 PolarHBondContact O-N 2.9Å; A184-Y186 VanDerWaalsContact C-N 3.33Å; A184-Y186 PolarHBondContact O-N 2.77Å; Y186-A190 WeakPolarHBondContact O-CB 3.27Å; Y186-A190 PolarHBondContact O-N 3.31Å; Y186-L478 PolarHBondContact OH-O 3.26Å; Y186-S480 PolarHBondContact OH-N 3.22Å; Y186-S480 PolarHBondContact OH-O 3.07Å; Y186-M481 HydrophobicContact CD1-CB 4.17Å; Y186-M481 HydrophobicContact CD1-CE 3.56Å; Y186-M481 HydrophobicContact CD2-CE 4.06Å; Y186-M481 HydrophobicContact CE1-CB 3.58Å; Y186-M481 HydrophobicContact CE1-CE 4.15Å; Y186-M481 HydrophobicContact CE1-CG 4.21Å; Y186-M481 HydrophobicContact CE2-CG 4.47Å; Y186-M481 HydrophobicContact CG-CE 3.55Å; Y186-M481 VanDerWaalsContact CZ-CA 3.43Å; Y186-M481 VanDerWaalsContact OH-CA 3.22Å; Y186-M481 WeakPolarHBondContact OH-CA 3.45Å; Y186-M481 PolarHBondContact OH-N 2.96Å; Y186-M481 VanDerWaalsContact OH-N 3.16Å
187R97.8Very high98Very high84 Ų8429.2 Ų29.232%0.31714%0.142SC..Hα-helixtrans-72.3-42.9170-73.6170.8-164.3-78.2-10111.3Q75 Q183 A184 I185 Q189 A190 K191 E314Q75-R187 VanDerWaalsContact CD-NH2 3.29Å; Q183-R187 WeakPolarHBondContact O-CD 3.29Å; Q183-R187 VanDerWaalsContact O-CG 3.32Å; Q183-R187 WeakPolarHBondContact O-CG 3.47Å; Q183-R187 PolarHBondContact O-N 2.79Å; A184-R187 PolarHBondContact O-N 3.08Å; I185-R187 VanDerWaalsContact C-N 3.35Å; I185-R187 PolarHBondContact O-N 2.96Å; R187-Q189 VanDerWaalsContact C-N 3.32Å; R187-A190 PolarHBondContact O-N 3.37Å; R187-K191 WeakPolarHBondContact O-CG 3.42Å; R187-K191 PolarHBondContact O-N 3.5Å; R187-E314 HydrophobicContact CB-CG 4.05Å
188I98.7Very high98Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-61-44.9173.3-70.2169.1000110.1A184 I185 A190 K191 I192 L307 C311 E314 I315 V318 L471A184-I188 WeakPolarHBondContact O-CG1 3.27Å; A184-I188 PolarHBondContact O-N 3.1Å; I185-I188 PolarHBondContact O-N 3.37Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 3.35Å; I188-K191 CarbonylContact O-C 3.39Å; I188-K191 WeakPolarHBondContact O-CA 3.45Å; I188-K191 WeakPolarHBondContact O-CB 3.31Å; I188-K191 PolarHBondContact O-N 3.15Å; I188-K191 VanDerWaalsContact O-N 3.1Å; I188-I192 HydrophobicContact CG2-CD1 4.18Å; I188-I192 WeakPolarHBondContact O-CG1 3.05Å; I188-I192 PolarHBondContact O-N 2.95Å; I188-L307 HydrophobicContact CG2-CD2 4.05Å; I188-C311 HydrophobicContact CG1-CB 4.19Å; I188-E314 HydrophobicContact CD1-CB 3.63Å; I188-E314 HydrophobicContact CG1-CB 3.68Å; I188-E314 HydrophobicContact CG1-CG 4.47Å; I188-I315 HydrophobicContact CD1-CG1 3.91Å; I188-V318 HydrophobicContact CD1-CG2 4.49Å; I188-L471 HydrophobicContact CD1-CD1 4.21Å; I188-L471 HydrophobicContact CD1-CD2 3.71Å; I188-L471 HydrophobicContact CG2-CD1 4.39Å
189Q98.7Very high98.1Very high23 Ų2329.6 Ų29.611%0.10715%0.148CC..Hα-helixtrans-60.3-42.9176.1-175170.382.300112.4I185 R187 K191 I192 C193 L463 T467 T479I185-Q189 WeakPolarHBondContact O-CB 3.35Å; I185-Q189 PolarHBondContact O-N 3.48Å; R187-Q189 VanDerWaalsContact C-N 3.32Å; Q189-K191 VanDerWaalsContact C-N 3.3Å; Q189-K191 PolarHBondContact O-N 2.96Å; Q189-I192 PolarHBondContact O-N 2.79Å; Q189-C193 PolarHBondContact O-N 3.44Å; Q189-L463 HydrophobicContact CG-CD1 3.83Å; Q189-L463 HydrophobicContact CG-CD2 3.65Å; Q189-L463 HydrophobicContact CG-CG 3.73Å; Q189-T467 HydrophobicContact CB-CG2 4.25Å; Q189-T479 PolarHBondContact NE2-O 3.4Å
190A98.8Very high98.2Very high59 Ų5929.6 Ų29.649%0.48815%0.148SC..Hα-helixtrans-60.9-40.5173.800000111.8Y186 R187 I188 C193 E194Y186-A190 WeakPolarHBondContact O-CB 3.27Å; Y186-A190 PolarHBondContact O-N 3.31Å; R187-A190 PolarHBondContact O-N 3.37Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 3.35Å; A190-C193 PolarHBondContact O-N 2.88Å; A190-E194 PolarHBondContact O-N 3.04Å
191K98.8Very high98.3Very high66 Ų6631.4 Ų31.429%0.28716%0.158SC..Hα-helixtrans-66.2-36.5175.6-74.5-57.3-166.9-175.30113.4R187 I188 Q189 C193 E194 Y195 L307R187-K191 WeakPolarHBondContact O-CG 3.42Å; R187-K191 PolarHBondContact O-N 3.5Å; I188-K191 CarbonylContact O-C 3.39Å; I188-K191 WeakPolarHBondContact O-CA 3.45Å; I188-K191 WeakPolarHBondContact O-CB 3.31Å; I188-K191 PolarHBondContact O-N 3.15Å; I188-K191 VanDerWaalsContact O-N 3.1Å; Q189-K191 VanDerWaalsContact C-N 3.3Å; Q189-K191 PolarHBondContact O-N 2.96Å; K191-C193 VanDerWaalsContact C-N 3.35Å; K191-C193 PolarHBondContact O-N 3.41Å; K191-E194 VanDerWaalsContact CD-OE2 3.29Å; K191-E194 WeakPolarHBondContact CD-OE2 3.33Å; K191-E194 IonicContact NZ-OE1 3.72Å; K191-E194 PolarHBondContact NZ-OE1 2.96Å; K191-E194 IonicContact NZ-OE2 2.81Å; K191-E194 PolarHBondContact NZ-OE2 3.1Å; K191-E194 PolarHBondContact O-N 3.24Å; K191-Y195 HydrophobicContact CB-CD2 4.21Å; K191-Y195 HydrophobicContact CB-CE2 3.75Å; K191-Y195 HydrophobicContact CD-CE1 4.36Å; K191-Y195 HydrophobicContact CD-CE2 4.28Å; K191-Y195 HydrophobicContact CG-CE2 4.37Å; K191-Y195 WeakPolarHBondContact O-CB 3.46Å; K191-Y195 WeakPolarHBondContact O-CD2 3.44Å; K191-Y195 PolarHBondContact O-N 2.93Å; K191-L307 HydrophobicContact CB-CD2 3.95Å
192I98.9Very high98.4Very high1 Ų135.2 Ų35.21%0.00519%0.185CC..Hα-helixtrans-57.3-49.1171.7-70.2162.7000110.4I188 Q189 E194 Y195 F196 L279 I303 L307 L463 V466 T467I188-I192 HydrophobicContact CG2-CD1 4.18Å; I188-I192 WeakPolarHBondContact O-CG1 3.05Å; I188-I192 PolarHBondContact O-N 2.95Å; Q189-I192 PolarHBondContact O-N 2.79Å; I192-E194 PolarHBondContact O-N 2.72Å; I192-Y195 PolarHBondContact O-N 3.44Å; I192-F196 VanDerWaalsContact O-CB 3.26Å; I192-F196 WeakPolarHBondContact O-CB 3.44Å; I192-F196 PolarHBondContact O-N 3.43Å; I192-L279 HydrophobicContact CG2-CD1 4.05Å; I192-I303 HydrophobicContact CG1-CG2 4.28Å; I192-I303 HydrophobicContact CG2-CG2 4.46Å; I192-L307 HydrophobicContact CD1-CD1 4.31Å; I192-L307 HydrophobicContact CG1-CD1 3.77Å; I192-L307 HydrophobicContact CG1-CD2 4.25Å; I192-L463 HydrophobicContact CB-CD1 4.01Å; I192-L463 HydrophobicContact CG2-CD1 3.59Å; I192-V466 HydrophobicContact CD1-CG1 4.19Å; I192-V466 HydrophobicContact CG2-CG1 4.44Å; I192-T467 HydrophobicContact CD1-CG2 4.35Å; I192-T467 WeakPolarHBondContact CD1-OG1 3.22Å
193C98.9Very high98.4Very high21 Ų2137 Ų3714%0.14219%0.192CC..Hα-helixtrans-62.9-40.5177.4-70.10000112.9Q189 A190 K191 R197 I258 L463Q189-C193 PolarHBondContact O-N 3.44Å; A190-C193 PolarHBondContact O-N 2.88Å; K191-C193 VanDerWaalsContact C-N 3.35Å; K191-C193 PolarHBondContact O-N 3.41Å; C193-R197 WeakPolarHBondContact O-CB 3.38Å; C193-R197 PolarHBondContact O-N 2.86Å; C193-R197 VanDerWaalsContact O-N 3.07Å; C193-I258 HydrophobicContact CB-CD1 4.31Å; C193-L463 VanDerWaalsContact SG-CD2 3.54Å
194E98.8Very high98.5Very high75 Ų7539.4 Ų39.435%0.3522%0.215SC..Hα-helixtrans-62.3-50.7176.5-175.6-174.8142.400111.2A190 K191 I192 R197 N198A190-E194 PolarHBondContact O-N 3.04Å; K191-E194 VanDerWaalsContact CD-OE2 3.29Å; K191-E194 WeakPolarHBondContact CD-OE2 3.33Å; K191-E194 IonicContact NZ-OE1 3.72Å; K191-E194 PolarHBondContact NZ-OE1 2.96Å; K191-E194 IonicContact NZ-OE2 2.81Å; K191-E194 PolarHBondContact NZ-OE2 3.1Å; K191-E194 PolarHBondContact O-N 3.24Å; I192-E194 PolarHBondContact O-N 2.72Å; E194-R197 PolarHBondContact O-N 3.41Å; E194-N198 WeakPolarHBondContact O-CB 3.41Å; E194-N198 PolarHBondContact O-N 3.35Å; E194-N198 PolarHBondContact O-ND2 3.01Å; E194-N198 PolarHBondContact O-OD1 3.14Å
195Y98.8Very high98.5Very high16 Ų1639.8 Ų39.86%0.06322%0.216CC..Hα-helixtrans-67.5-39.7-178.7-61.4-33.2000112.3K191 I192 R197 N198 A199 N306 L307 N310K191-Y195 HydrophobicContact CB-CD2 4.21Å; K191-Y195 HydrophobicContact CB-CE2 3.75Å; K191-Y195 HydrophobicContact CD-CE1 4.36Å; K191-Y195 HydrophobicContact CD-CE2 4.28Å; K191-Y195 HydrophobicContact CG-CE2 4.37Å; K191-Y195 WeakPolarHBondContact O-CB 3.46Å; K191-Y195 WeakPolarHBondContact O-CD2 3.44Å; K191-Y195 PolarHBondContact O-N 2.93Å; I192-Y195 PolarHBondContact O-N 3.44Å; Y195-R197 PolarHBondContact O-N 2.87Å; Y195-N198 PolarHBondContact O-N 3.45Å; Y195-A199 WeakPolarHBondContact O-CB 3.39Å; Y195-A199 PolarHBondContact O-N 3.34Å; Y195-N306 HydrophobicContact CD1-CB 4Å; Y195-N306 HydrophobicContact CD2-CB 3.57Å; Y195-N306 HydrophobicContact CE1-CB 3.94Å; Y195-N306 HydrophobicContact CE2-CB 3.5Å; Y195-N306 HydrophobicContact CG-CB 3.85Å; Y195-L307 HydrophobicContact CD2-CD2 4.21Å; Y195-L307 HydrophobicContact CD2-CG 4.25Å; Y195-L307 HydrophobicContact CE2-CD2 3.98Å; Y195-L307 HydrophobicContact CE2-CG 4.28Å; Y195-N310 WeakPolarHBondContact OH-CB 3.22Å
196F98.8Very high98.6Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-57.7-48.9171.9179.6-95.7000111.6I192 L200 F256 I258 L279 L281 T299 I303 I461I192-F196 VanDerWaalsContact O-CB 3.26Å; I192-F196 WeakPolarHBondContact O-CB 3.44Å; I192-F196 PolarHBondContact O-N 3.43Å; F196-L200 HydrophobicContact CD1-CD1 4.1Å; F196-L200 HydrophobicContact CD2-CD1 4.3Å; F196-L200 HydrophobicContact CE1-CD1 3.53Å; F196-L200 HydrophobicContact CE2-CD1 3.73Å; F196-L200 HydrophobicContact CG-CD1 4.48Å; F196-L200 HydrophobicContact CZ-CD1 3.33Å; F196-L200 HydrophobicContact CZ-CG 4.5Å; F196-L200 WeakPolarHBondContact O-CG 3.45Å; F196-L200 PolarHBondContact O-N 3.43Å; F196-L200 VanDerWaalsContact O-N 3.14Å; F196-F256 HydrophobicContact CD1-CD2 4.32Å; F196-F256 HydrophobicContact CE1-CB 4.23Å; F196-F256 AromaticContact CE1-CD2 3.8Å; F196-F256 HydrophobicContact CE1-CD2 3.8Å; F196-F256 HydrophobicContact CE1-CG 4.33Å; F196-I258 HydrophobicContact CD1-CD1 4.01Å; F196-I258 HydrophobicContact CD1-CG1 4.2Å; F196-I258 HydrophobicContact CE1-CG1 4.26Å; F196-L279 HydrophobicContact CB-CD1 4.48Å; F196-L279 HydrophobicContact CD1-CB 4.17Å; F196-L279 HydrophobicContact CD2-CB 4.24Å; F196-L279 HydrophobicContact CD2-CD1 4.32Å; F196-L279 HydrophobicContact CE1-CB 3.85Å; F196-L279 HydrophobicContact CE2-CB 3.95Å; F196-L279 HydrophobicContact CG-CB 4.33Å; F196-L279 HydrophobicContact CG-CD1 4.27Å; F196-L279 HydrophobicContact CZ-CB 3.72Å; F196-L281 HydrophobicContact CE2-CD2 3.98Å; F196-L281 HydrophobicContact CZ-CD2 4.09Å; F196-T299 HydrophobicContact CD2-CG2 4.22Å; F196-I303 HydrophobicContact CB-CD1 3.9Å; F196-I303 HydrophobicContact CD2-CD1 4.14Å; F196-I461 HydrophobicContact CD2-CD1 4.42Å; F196-I461 HydrophobicContact CE2-CD1 3.86Å
197R98.8Very high98.6Very high80 Ų8045.2 Ų45.230%0.30225%0.247SC..Hα-helixtrans-60.9-48.3177.9-179.9176.5-68.5100.4-4.1111.4C193 E194 Y195 L200 T201 E207 F256C193-R197 WeakPolarHBondContact O-CB 3.38Å; C193-R197 PolarHBondContact O-N 2.86Å; C193-R197 VanDerWaalsContact O-N 3.07Å; E194-R197 PolarHBondContact O-N 3.41Å; Y195-R197 PolarHBondContact O-N 2.87Å; R197-L200 PolarHBondContact O-N 2.83Å; R197-T201 VanDerWaalsContact O-CB 3.22Å; R197-T201 WeakPolarHBondContact O-CB 3.47Å; R197-T201 PolarHBondContact O-N 2.91Å; R197-T201 PolarHBondContact O-OG1 3.4Å; R197-E207 IonicContact CZ-OE1 3.86Å; R197-E207 IonicContact CZ-OE2 2.97Å; R197-E207 IonicContact NE-OE1 2.99Å; R197-E207 PolarHBondContact NE-OE1 3.33Å; R197-E207 IonicContact NE-OE2 2.77Å; R197-E207 PolarHBondContact NE-OE2 3Å; R197-E207 IonicContact NH2-OE1 3.01Å; R197-E207 PolarHBondContact NH2-OE1 3.28Å; R197-E207 IonicContact NH2-OE2 3.49Å; R197-F256 HydrophobicContact CB-CE2 4.34Å; R197-F256 HydrophobicContact CB-CZ 4.44Å; R197-F256 HydrophobicContact CG-CE2 4.12Å; R197-F256 HydrophobicContact CG-CZ 3.83Å
198N98.6Very high98.6Very high82 Ų8242.1 Ų42.144%0.43924%0.236SC..Hα-helixtrans-63.2-47.4-178.2-69.1-10.4000111.9E194 Y195 L200 T201 S202E194-N198 WeakPolarHBondContact O-CB 3.41Å; E194-N198 PolarHBondContact O-N 3.35Å; E194-N198 PolarHBondContact O-ND2 3.01Å; E194-N198 PolarHBondContact O-OD1 3.14Å; Y195-N198 PolarHBondContact O-N 3.45Å; N198-L200 VanDerWaalsContact C-N 3.35Å; N198-L200 PolarHBondContact O-N 3.18Å; N198-T201 PolarHBondContact O-N 3Å; N198-S202 WeakPolarHBondContact O-CB 3.49Å; N198-S202 PolarHBondContact O-N 3.33Å
199A98.5Very high98.6Very high0 Ų049.6 Ų49.60%027%0.271CS..Hα-helixtrans-57.8-46.317900000111.4Y195 S202 K203 T299 E302Y195-A199 WeakPolarHBondContact O-CB 3.39Å; Y195-A199 PolarHBondContact O-N 3.34Å; A199-S202 PolarHBondContact O-OG 2.99Å; A199-K203 WeakPolarHBondContact O-CG 3.49Å; A199-K203 PolarHBondContact O-N 2.79Å; A199-K203 PolarHBondContact O-NZ 3.47Å; A199-T299 HydrophobicContact CB-CG2 3.87Å; A199-E302 HydrophobicContact CB-CG 4.5Å; A199-E302 WeakPolarHBondContact CB-OE2 3.26Å
200L98.7Very high98.5Very high0 Ų049.3 Ų49.30%027%0.271CS..Hα-helixtrans-73.7-38.7179.6-65.8-174000112.9F196 R197 N198 S202 K203 S204 F205 F256 L281 L295 T299F196-L200 HydrophobicContact CD1-CD1 4.1Å; F196-L200 HydrophobicContact CD2-CD1 4.3Å; F196-L200 HydrophobicContact CE1-CD1 3.53Å; F196-L200 HydrophobicContact CE2-CD1 3.73Å; F196-L200 HydrophobicContact CG-CD1 4.48Å; F196-L200 HydrophobicContact CZ-CD1 3.33Å; F196-L200 HydrophobicContact CZ-CG 4.5Å; F196-L200 WeakPolarHBondContact O-CG 3.45Å; F196-L200 PolarHBondContact O-N 3.43Å; F196-L200 VanDerWaalsContact O-N 3.14Å; R197-L200 PolarHBondContact O-N 2.83Å; N198-L200 VanDerWaalsContact C-N 3.35Å; N198-L200 PolarHBondContact O-N 3.18Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.21Å; L200-K203 CarbonylContact O-C 3.56Å; L200-K203 WeakPolarHBondContact O-CA 3.3Å; L200-K203 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-N 3.47Å; L200-F205 HydrophobicContact CB-CB 3.93Å; L200-F205 HydrophobicContact CB-CD1 4.47Å; L200-F205 HydrophobicContact CB-CD2 4.26Å; L200-F205 HydrophobicContact CB-CG 3.97Å; L200-F205 HydrophobicContact CD1-CD1 4.43Å; L200-F205 HydrophobicContact CD2-CD1 4.4Å; L200-F205 HydrophobicContact CD2-CD2 4.21Å; L200-F205 HydrophobicContact CD2-CE1 4.41Å; L200-F205 HydrophobicContact CD2-CE2 4.21Å; L200-F205 HydrophobicContact CD2-CG 4.34Å; L200-F205 HydrophobicContact CD2-CZ 4.32Å; L200-F205 WeakPolarHBondContact O-CB 3.14Å; L200-F205 WeakPolarHBondContact O-CD2 3.29Å; L200-F205 PolarHBondContact O-N 3.47Å; L200-F256 HydrophobicContact CB-CD1 4.18Å; L200-F256 HydrophobicContact CB-CE1 4.49Å; L200-F256 HydrophobicContact CB-CG 4.49Å; L200-F256 HydrophobicContact CD1-CB 3.56Å; L200-F256 HydrophobicContact CD1-CD1 4.31Å; L200-F256 HydrophobicContact CD1-CD2 4.41Å; L200-F256 HydrophobicContact CD1-CG 3.86Å; L200-L281 HydrophobicContact CD1-CB 4.1Å; L200-L281 HydrophobicContact CD1-CD2 4.15Å; L200-L281 HydrophobicContact CD2-CD2 4.49Å; L200-L295 HydrophobicContact CD2-CD2 4.11Å; L200-T299 HydrophobicContact CD2-CG2 4.1Å; L200-T299 HydrophobicContact CG-CG2 4.32Å
201T98.5Very high98.4Very high75 Ų7549.5 Ų49.546%0.4627%0.267SS..Hα-helixtrans-63.1-40.2177.2-580000110.8R197 N198 K203 S204R197-T201 VanDerWaalsContact O-CB 3.22Å; R197-T201 WeakPolarHBondContact O-CB 3.47Å; R197-T201 PolarHBondContact O-N 2.91Å; R197-T201 PolarHBondContact O-OG1 3.4Å; N198-T201 PolarHBondContact O-N 3Å; T201-K203 PolarHBondContact O-N 3.31Å; T201-S204 PolarHBondContact O-N 2.82Å
202S98.1Very high98.2Very high84 Ų8448.7 Ų48.759%0.58726%0.264SS*.Hα-helixtrans-61.5-27.7174.379.20000112.7N198 A199 L200 S204N198-S202 WeakPolarHBondContact O-CB 3.49Å; N198-S202 PolarHBondContact O-N 3.33Å; A199-S202 PolarHBondContact O-OG 2.99Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.21Å; S202-S204 VanDerWaalsContact C-N 3.28Å; S202-S204 PolarHBondContact O-N 3.38Å
203K97.9Very high98Very high38 Ų3852.7 Ų52.717%0.16528%0.284CS..THydrogen-bonded Turntrans-92.521.2175.8-61.3176.6-177.6780112.4A199 L200 T201 F205 R254 L295 E298 E302A199-K203 WeakPolarHBondContact O-CG 3.49Å; A199-K203 PolarHBondContact O-N 2.79Å; A199-K203 PolarHBondContact O-NZ 3.47Å; L200-K203 CarbonylContact O-C 3.56Å; L200-K203 WeakPolarHBondContact O-CA 3.3Å; L200-K203 PolarHBondContact O-N 2.84Å; T201-K203 PolarHBondContact O-N 3.31Å; K203-F205 VanDerWaalsContact C-N 3.29Å; K203-F205 HydrophobicContact CB-CD2 4.07Å; K203-F205 HydrophobicContact CB-CE2 4.25Å; K203-F205 PolarHBondContact O-N 2.89Å; K203-R254 WeakPolarHBondContact O-CD 3.46Å; K203-L295 HydrophobicContact CB-CD1 4.48Å; K203-L295 HydrophobicContact CD-CD1 3.87Å; K203-L295 HydrophobicContact CD-CG 4.26Å; K203-E298 VanDerWaalsContact CE-OE2 3.3Å; K203-E298 WeakPolarHBondContact CE-OE2 3.46Å; K203-E302 IonicContact NZ-OE2 3.8Å; K203-E302 PolarHBondContact NZ-OE2 3Å
204S97.8Very high97.6Very high97 Ų9752.2 Ų52.268%0.67828%0.28SS*.THydrogen-bonded Turntrans59.830.1176.7-57.50000114.9L200 T201 S202L200-S204 PolarHBondContact O-N 3.47Å; T201-S204 PolarHBondContact O-N 2.82Å; S202-S204 VanDerWaalsContact C-N 3.28Å; S202-S204 PolarHBondContact O-N 3.38Å
205F98.8Very high97Very high10 Ų1053.7 Ų53.74%0.04430%0.298CS..PPolyproline II helixtrans-77.1148.3168.9-77-117.2000111.5L200 K203 R254 V255 F256 L281 M283 L295L200-F205 HydrophobicContact CB-CB 3.93Å; L200-F205 HydrophobicContact CB-CD1 4.47Å; L200-F205 HydrophobicContact CB-CD2 4.26Å; L200-F205 HydrophobicContact CB-CG 3.97Å; L200-F205 HydrophobicContact CD1-CD1 4.43Å; L200-F205 HydrophobicContact CD2-CD1 4.4Å; L200-F205 HydrophobicContact CD2-CD2 4.21Å; L200-F205 HydrophobicContact CD2-CE1 4.41Å; L200-F205 HydrophobicContact CD2-CE2 4.21Å; L200-F205 HydrophobicContact CD2-CG 4.34Å; L200-F205 HydrophobicContact CD2-CZ 4.32Å; L200-F205 WeakPolarHBondContact O-CB 3.14Å; L200-F205 WeakPolarHBondContact O-CD2 3.29Å; L200-F205 PolarHBondContact O-N 3.47Å; K203-F205 VanDerWaalsContact C-N 3.29Å; K203-F205 HydrophobicContact CB-CD2 4.07Å; K203-F205 HydrophobicContact CB-CE2 4.25Å; K203-F205 PolarHBondContact O-N 2.89Å; F205-R254 WeakPolarHBondContact CA-O 3.13Å; F205-R254 HydrophobicContact CB-CB 4.3Å; F205-R254 HydrophobicContact CD1-CB 3.81Å; F205-R254 HydrophobicContact CD2-CB 3.77Å; F205-R254 HydrophobicContact CD2-CG 4.31Å; F205-R254 HydrophobicContact CE1-CB 3.92Å; F205-R254 HydrophobicContact CE2-CB 3.89Å; F205-R254 HydrophobicContact CE2-CG 4.04Å; F205-R254 HydrophobicContact CG-CB 3.7Å; F205-R254 HydrophobicContact CZ-CB 3.95Å; F205-R254 HydrophobicContact CZ-CG 4.17Å; F205-V255 WeakPolarHBondContact CD1-O 3.12Å; F205-F256 HydrophobicContact CB-CD1 3.72Å; F205-F256 HydrophobicContact CB-CE1 4.25Å; F205-F256 HydrophobicContact CD1-CB 4.41Å; F205-L281 HydrophobicContact CE1-CB 4.13Å; F205-L281 HydrophobicContact CE1-CD1 4.13Å; F205-L281 HydrophobicContact CZ-CD1 4.45Å; F205-M283 HydrophobicContact CE1-CB 4.17Å; F205-M283 HydrophobicContact CZ-CB 3.9Å; F205-M283 HydrophobicContact CZ-CG 4.27Å; F205-M283 HydrophobicContact CZ-SD 4Å; F205-L295 HydrophobicContact CE1-CD2 4.46Å; F205-L295 HydrophobicContact CE2-CD1 3.69Å; F205-L295 HydrophobicContact CE2-CD2 3.87Å; F205-L295 HydrophobicContact CE2-CG 4.41Å; F205-L295 HydrophobicContact CZ-CD1 4.04Å; F205-L295 HydrophobicContact CZ-CD2 3.5Å; F205-L295 HydrophobicContact CZ-CG 4.43Å
206V98.7Very high96.1Very high73 Ų7353.8 Ų53.844%0.44230%0.302SS..EExtended strand (participates in β ladder)trans-101.5127.4175-177.20000110.2I208 R254 V255 F256V206-I208 HydrophobicContact CG1-CG2 4.45Å; V206-I208 PolarHBondContact O-N 3.04Å; V206-R254 PolarHBondContact N-O 3.28Å; V206-V255 VanDerWaalsContact O-CA 3.32Å; V206-V255 WeakPolarHBondContact O-CA 3.25Å; V206-F256 PolarHBondContact O-N 3.49Å
207E98.9Very high94.9Very high65 Ų6555.1 Ų55.130%0.30431%0.313SS..EExtended strand (participates in β ladder)trans-71.6124.8171.4-164.6162.9-178.900109.5R197 F256R197-E207 IonicContact CZ-OE1 3.86Å; R197-E207 IonicContact CZ-OE2 2.97Å; R197-E207 IonicContact NE-OE1 2.99Å; R197-E207 PolarHBondContact NE-OE1 3.33Å; R197-E207 IonicContact NE-OE2 2.77Å; R197-E207 PolarHBondContact NE-OE2 3Å; R197-E207 IonicContact NH2-OE1 3.01Å; R197-E207 PolarHBondContact NH2-OE1 3.28Å; R197-E207 IonicContact NH2-OE2 3.49Å; E207-F256 CarbonylContact C-O 3.57Å; E207-F256 WeakPolarHBondContact CA-O 3.49Å; E207-F256 HydrophobicContact CB-CD1 4.38Å; E207-F256 HydrophobicContact CB-CE1 3.68Å; E207-F256 HydrophobicContact CB-CE2 3.86Å; E207-F256 HydrophobicContact CB-CZ 3.37Å; E207-F256 HydrophobicContact CG-CD2 4.21Å; E207-F256 HydrophobicContact CG-CE1 4.33Å; E207-F256 HydrophobicContact CG-CE2 3.56Å; E207-F256 HydrophobicContact CG-CZ 3.64Å
208I98.7Very high93.4Very high19 Ų1951.5 Ų51.510%0.09730%0.301CS..  trans-116.9153.8177.865.6169.7000111.2V206 T210 K244 A247 M252 V255 F256 T257V206-I208 HydrophobicContact CG1-CG2 4.45Å; V206-I208 PolarHBondContact O-N 3.04Å; I208-T210 HydrophobicContact CD1-CG2 3.86Å; I208-T210 HydrophobicContact CG1-CG2 4.26Å; I208-K244 HydrophobicContact CD1-CB 4.39Å; I208-A247 HydrophobicContact CD1-CB 3.99Å; I208-M252 HydrophobicContact CG2-SD 3.76Å; I208-V255 HydrophobicContact CD1-CB 3.98Å; I208-V255 HydrophobicContact CD1-CG1 4.49Å; I208-V255 HydrophobicContact CD1-CG2 4.02Å; I208-V255 HydrophobicContact CG1-CB 4.28Å; I208-V255 HydrophobicContact CG2-CB 4.11Å; I208-V255 HydrophobicContact CG2-CG1 3.93Å; I208-F256 WeakPolarHBondContact CG1-O 3.2Å; I208-F256 PolarHBondContact N-O 2.81Å; I208-T257 WeakPolarHBondContact O-CB 3.33Å; I208-T257 PolarHBondContact O-OG1 3.24Å
209H98.6Very high91.9Very high157 Ų15750 Ų5073%0.72729%0.291SS*.  trans-119.5111.4174.6-62.9-69.8000110.1
210T96.2Very high90.1Very high18 Ų1852.6 Ų52.611%0.1132%0.318CS..  trans-99.6146.3-175.658.40000111.3I208 K212 P240 Y243I208-T210 HydrophobicContact CD1-CG2 3.86Å; I208-T210 HydrophobicContact CG1-CG2 4.26Å; T210-K212 WeakPolarHBondContact O-CE 3.26Å; T210-K212 PolarHBondContact OG1-NZ 3.44Å; T210-P240 HydrophobicContact CG2-CB 4.42Å; T210-P240 WeakPolarHBondContact OG1-CB 3.45Å; T210-Y243 VanDerWaalsContact CG2-CB 3.46Å; T210-Y243 HydrophobicContact CG2-CG 4.34Å
211P95.9Very high88.3Confident62 Ų6254.3 Ų54.340%0.40334%0.336SS..  trans-64.5143.6177.529.7-35.9000110.5Y243P211-Y243 HydrophobicContact CG-CD1 4.1Å; P211-Y243 HydrophobicContact CG-CD2 4.08Å; P211-Y243 HydrophobicContact CG-CE1 3.62Å; P211-Y243 HydrophobicContact CG-CE2 3.59Å; P211-Y243 HydrophobicContact CG-CG 4.32Å
212K95.6Very high86.4Confident50 Ų5055.4 Ų55.422%0.21735%0.353CS..SBendtrans-101.6-11.5177.3-50.8-52.4176.7-171.10113.2T210 L236 A237 F262T210-K212 WeakPolarHBondContact O-CE 3.26Å; T210-K212 PolarHBondContact OG1-NZ 3.44Å; K212-L236 CarbonylContact O-C 3.55Å; K212-L236 VanDerWaalsContact O-CA 3.29Å; K212-L236 WeakPolarHBondContact O-CA 3.39Å; K212-A237 PolarHBondContact O-N 3.2Å; K212-F262 HydrophobicContact CB-CE2 4.1Å
213I94.7Very high85.6Confident85 Ų8555.1 Ų55.144%0.43634%0.344SS..EExtended strand (participates in β ladder)trans-101.9120.6172.5-60.6173.1000107.4Y229 A234 Y235 L236I213-Y229 HydrophobicContact CG2-CD2 4.14Å; I213-Y229 HydrophobicContact CG2-CE2 4.39Å; I213-A234 HydrophobicContact CG2-CB 3.51Å; I213-Y235 CarbonylContact C-O 3.55Å; I213-Y235 WeakPolarHBondContact CA-O 3.19Å; I213-L236 HydrophobicContact CG1-CD2 4.25Å
214I90.5Very high85.1Confident11 Ų1154.5 Ų54.56%0.05634%0.344CS..EExtended strand (participates in β ladder)trans-125.7154.8-174.362178.4000111.6A216 A234 Y235 A237 Y243I214-A216 WeakPolarHBondContact CD1-O 3.46Å; I214-A216 VanDerWaalsContact CG1-O 3.26Å; I214-A216 WeakPolarHBondContact CG1-O 3.43Å; I214-A234 WeakPolarHBondContact O-CA 3.49Å; I214-Y235 WeakPolarHBondContact CG1-O 3.48Å; I214-Y235 PolarHBondContact N-O 2.83Å; I214-Y235 PolarHBondContact O-N 3.49Å; I214-A237 HydrophobicContact CD1-CB 4.11Å; I214-A237 HydrophobicContact CG2-CB 4.07Å; I214-Y243 HydrophobicContact CG2-CE2 3.66Å
215S86.4Confident84.9Confident105 Ų10553.5 Ų53.573%0.73433%0.327SS*.SBendtrans-78.7-20.3-176.352.60000114.3
216A79.2Confident84.6Confident18 Ų1859 Ų5915%0.14935%0.353CS..SBendtrans-150.5158.5-179.800000110.1I214 S218 K441I214-A216 WeakPolarHBondContact CD1-O 3.46Å; I214-A216 VanDerWaalsContact CG1-O 3.26Å; I214-A216 WeakPolarHBondContact CG1-O 3.43Å; A216-S218 PolarHBondContact O-N 3.47Å; A216-K441 HydrophobicContact CB-CB 3.95Å; A216-K441 HydrophobicContact CB-CD 4.41Å; A216-K441 HydrophobicContact CB-CG 4.4Å
217A74.3Confident84.3Confident28 Ų2857.5 Ų57.523%0.23134%0.344CS..  trans-58.9130175.200000111.3V224A217-V224 HydrophobicContact CB-CG1 3.73Å; A217-V224 HydrophobicContact CB-CG2 4.05Å
218S67Low84.2Confident5 Ų559.7 Ų59.74%0.03537%0.367CS..THydrogen-bonded Turntrans-74.9-24.5-174.146.60000114.5A216A216-S218 PolarHBondContact O-N 3.47Å
219E67.2Low84Confident49 Ų4962.9 Ų62.923%0.22938%0.378CS..THydrogen-bonded Turntrans-125.218-170.2-62176.8-177.800113.1G221 S239 R263E219-G221 PolarHBondContact O-N 3.24Å; E219-G221 VanDerWaalsContact O-N 3.08Å; E219-S239 PolarHBondContact OE1-OG 2.8Å; E219-R263 IonicContact OE1-NH2 2.63Å; E219-R263 IonicContact OE2-CZ 2.8Å; E219-R263 IonicContact OE2-NH1 2.67Å; E219-R263 PolarHBondContact OE2-NH1 2.9Å; E219-R263 IonicContact OE2-NH2 2.7Å
220G59.3Low83.8Confident56 Ų5663.9 Ų63.958%0.57738%0.381SS*.SBendtrans70.61.3174.100000116.2
221G61.9Low83.8Confident36 Ų3673.2 Ų73.237%0.37142%0.42SS..  trans-88.4158.3-179.600000115.1E219 N223E219-G221 PolarHBondContact O-N 3.24Å; E219-G221 VanDerWaalsContact O-N 3.08Å; G221-N223 VanDerWaalsContact C-N 3.25Å; G221-N223 PolarHBondContact O-N 2.86Å
222A59.4Low83.7Confident98 Ų9878.5 Ų78.581%0.8143%0.432SS*.SBendtrans-75.3-10174.200000113.9V224A222-V224 PolarHBondContact O-N 3.17Å
223N80Confident83.5Confident77 Ų7778.7 Ų78.741%0.41244%0.44SS..  trans-97.557.3-170.4-63.2-18.5000112.1G221 Q238 A264 E265G221-N223 VanDerWaalsContact C-N 3.25Å; G221-N223 PolarHBondContact O-N 2.86Å; N223-Q238 PolarHBondContact O-NE2 3.14Å; N223-A264 WeakPolarHBondContact CB-O 3.3Å; N223-A264 WeakPolarHBondContact O-CB 3.32Å; N223-A264 PolarHBondContact O-N 3.45Å; N223-E265 HydrophobicContact CB-CG 3.96Å
224V88.4Confident83.4Confident25 Ų2574.9 Ų74.915%0.15242%0.42CS..  trans-115.2141.9172.8-68.90000110.9A217 A222 E226 Y235 Q238A217-V224 HydrophobicContact CB-CG1 3.73Å; A217-V224 HydrophobicContact CB-CG2 4.05Å; A222-V224 PolarHBondContact O-N 3.17Å; V224-E226 PolarHBondContact O-N 3.35Å; V224-Y235 HydrophobicContact CB-CD1 4.33Å; V224-Y235 HydrophobicContact CG2-CD1 3.57Å; V224-Y235 HydrophobicContact CG2-CE1 4.15Å; V224-Y235 HydrophobicContact CG2-CG 4.25Å; V224-Q238 VanDerWaalsContact CG1-CD 3.43Å; V224-Q238 HydrophobicContact CG1-CG 3.77Å
225F92.6Very high83.5Confident76 Ų7677.2 Ų77.233%0.33343%0.429SS..  trans-73.9118.6171.6-71-68.4000109.6Y235 L236 F262 A264 T274F225-Y235 CarbonylContact O-C 3.51Å; F225-Y235 WeakPolarHBondContact O-CA 3.43Å; F225-L236 HydrophobicContact CB-CB 4.16Å; F225-L236 HydrophobicContact CB-CD1 3.96Å; F225-L236 HydrophobicContact CB-CG 4.12Å; F225-L236 HydrophobicContact CD2-CD1 4.37Å; F225-L236 HydrophobicContact CG-CD1 4.45Å; F225-L236 PolarHBondContact O-N 3.47Å; F225-F262 HydrophobicContact CD2-CB 4.02Å; F225-F262 HydrophobicContact CE2-CB 4.38Å; F225-A264 HydrophobicContact CD1-CB 3.82Å; F225-A264 HydrophobicContact CD2-CB 3.7Å; F225-A264 HydrophobicContact CE1-CB 3.8Å; F225-A264 HydrophobicContact CE2-CB 3.7Å; F225-A264 HydrophobicContact CG-CB 3.76Å; F225-A264 HydrophobicContact CZ-CB 3.74Å; F225-T274 HydrophobicContact CZ-CG2 4.36Å
226E92.9Very high83.9Confident125 Ų12573.9 Ų73.958%0.58440%0.403SS*.EExtended strand (participates in β ladder)trans-82.6134.9170.1-173.1173.8178.100110.2V224 S233 Y235V224-E226 PolarHBondContact O-N 3.35Å; E226-S233 WeakPolarHBondContact OE1-CB 3.31Å; E226-S233 PolarHBondContact OE1-OG 2.86Å; E226-Y235 HydrophobicContact CB-CD1 4.08Å; E226-Y235 HydrophobicContact CB-CE1 4.01Å; E226-Y235 HydrophobicContact CG-CD1 4.31Å; E226-Y235 HydrophobicContact CG-CE1 3.94Å
227V93.5Very high84.5Confident42 Ų4273.1 Ų73.126%0.25540%0.397SS..EExtended strand (participates in β ladder)trans-126.7144.5176.3-62.50000110.1Y229 A234 L236V227-Y229 PolarHBondContact O-N 3.04Å; V227-A234 HydrophobicContact CG2-CB 3.97Å; V227-A234 WeakPolarHBondContact CG2-O 3.41Å; V227-A234 PolarHBondContact N-O 2.94Å; V227-A234 PolarHBondContact O-N 3.23Å; V227-A234 VanDerWaalsContact O-O 3.13Å; V227-L236 HydrophobicContact CG1-CD1 4.48Å; V227-L236 HydrophobicContact CG1-CD2 4.29Å; V227-L236 HydrophobicContact CG1-CG 4.09Å
228S95.2Very high85.3Confident112 Ų11272.1 Ų72.178%0.78339%0.387SS*.EExtended strand (participates in β ladder)trans-70.3126.4172.5-177.60000110
229Y95.2Very high86.5Confident86 Ų8672.6 Ų72.634%0.33739%0.39SS..EExtended strand (participates in β ladder)trans-126.785.2179-167.1-94.5000110.4I213 V227 K231 R232 A234I213-Y229 HydrophobicContact CG2-CD2 4.14Å; I213-Y229 HydrophobicContact CG2-CE2 4.39Å; V227-Y229 PolarHBondContact O-N 3.04Å; Y229-K231 PolarHBondContact O-N 3.4Å; Y229-K231 VanDerWaalsContact O-N 3.14Å; Y229-R232 CarbonylContact C-O 3.26Å; Y229-R232 VanDerWaalsContact C-O 3.26Å; Y229-R232 WeakPolarHBondContact CA-O 3.49Å; Y229-R232 HydrophobicContact CD1-CG 4.13Å; Y229-R232 PolarHBondContact N-O 2.85Å; Y229-R232 VanDerWaalsContact O-CG 3.23Å; Y229-R232 WeakPolarHBondContact O-CG 3.36Å; Y229-R232 PolarHBondContact O-N 3.46Å; Y229-R232 VanDerWaalsContact O-N 3.09Å; Y229-A234 HydrophobicContact CD2-CB 4.39Å; Y229-A234 HydrophobicContact CG-CB 4.07Å
230F95.2Very high87.8Confident177 Ų17770.4 Ų70.478%0.77638%0.38SS*.THydrogen-bonded Turntrans56.1-111.7-172.9-56.6-86.2000112.1
231K95.4Very high89.5Confident215 Ų21568 Ų6894%0.93535%0.354SS*.THydrogen-bonded Turntrans-98.413.5-178.8-61.8-176.5179.4-179.80113Y229Y229-K231 PolarHBondContact O-N 3.4Å; Y229-K231 VanDerWaalsContact O-N 3.14Å
232R93.2Very high90.9Very high172 Ų17267.5 Ų67.565%0.64934%0.343SS*.EExtended strand (participates in β ladder)trans-142.4169-18062.4179-178.2-166.90.8110.8Y229Y229-R232 CarbonylContact C-O 3.26Å; Y229-R232 VanDerWaalsContact C-O 3.26Å; Y229-R232 WeakPolarHBondContact CA-O 3.49Å; Y229-R232 HydrophobicContact CD1-CG 4.13Å; Y229-R232 PolarHBondContact N-O 2.85Å; Y229-R232 VanDerWaalsContact O-CG 3.23Å; Y229-R232 WeakPolarHBondContact O-CG 3.36Å; Y229-R232 PolarHBondContact O-N 3.46Å; Y229-R232 VanDerWaalsContact O-N 3.09Å
233S91.6Very high92.7Very high55 Ų5566.2 Ų66.239%0.38532%0.317SS..EExtended strand (participates in β ladder)trans-84.9151.5170.2-570000111.1E226E226-S233 WeakPolarHBondContact OE1-CB 3.31Å; E226-S233 PolarHBondContact OE1-OG 2.86Å
234A92.7Very high93.5Very high4 Ų462.6 Ų62.63%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-135.6174.516200000108.9I213 I214 V227 Y229I213-A234 HydrophobicContact CG2-CB 3.51Å; I214-A234 WeakPolarHBondContact O-CA 3.49Å; V227-A234 HydrophobicContact CG2-CB 3.97Å; V227-A234 WeakPolarHBondContact CG2-O 3.41Å; V227-A234 PolarHBondContact N-O 2.94Å; V227-A234 PolarHBondContact O-N 3.23Å; V227-A234 VanDerWaalsContact O-O 3.13Å; Y229-A234 HydrophobicContact CD2-CB 4.39Å; Y229-A234 HydrophobicContact CG-CB 4.07Å
235Y92.5Very high94Very high61 Ų6161.4 Ų61.424%0.23929%0.291CS..EExtended strand (participates in β ladder)trans-131.2155.7-176.9-53-85.7000110.7I213 I214 V224 F225 E226I213-Y235 CarbonylContact C-O 3.55Å; I213-Y235 WeakPolarHBondContact CA-O 3.19Å; I214-Y235 WeakPolarHBondContact CG1-O 3.48Å; I214-Y235 PolarHBondContact N-O 2.83Å; I214-Y235 PolarHBondContact O-N 3.49Å; V224-Y235 HydrophobicContact CB-CD1 4.33Å; V224-Y235 HydrophobicContact CG2-CD1 3.57Å; V224-Y235 HydrophobicContact CG2-CE1 4.15Å; V224-Y235 HydrophobicContact CG2-CG 4.25Å; F225-Y235 CarbonylContact O-C 3.51Å; F225-Y235 WeakPolarHBondContact O-CA 3.43Å; E226-Y235 HydrophobicContact CB-CD1 4.08Å; E226-Y235 HydrophobicContact CB-CE1 4.01Å; E226-Y235 HydrophobicContact CG-CD1 4.31Å; E226-Y235 HydrophobicContact CG-CE1 3.94Å
236L94.4Very high94.2Very high34 Ų3461 Ų6118%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-84.3136.9168.7-61.2-178.7000110.9K212 I213 F225 V227 Q238 F262K212-L236 CarbonylContact O-C 3.55Å; K212-L236 VanDerWaalsContact O-CA 3.29Å; K212-L236 WeakPolarHBondContact O-CA 3.39Å; I213-L236 HydrophobicContact CG1-CD2 4.25Å; F225-L236 HydrophobicContact CB-CB 4.16Å; F225-L236 HydrophobicContact CB-CD1 3.96Å; F225-L236 HydrophobicContact CB-CG 4.12Å; F225-L236 HydrophobicContact CD2-CD1 4.37Å; F225-L236 HydrophobicContact CG-CD1 4.45Å; F225-L236 PolarHBondContact O-N 3.47Å; V227-L236 HydrophobicContact CG1-CD1 4.48Å; V227-L236 HydrophobicContact CG1-CD2 4.29Å; V227-L236 HydrophobicContact CG1-CG 4.09Å; L236-Q238 PolarHBondContact O-N 3.14Å; L236-F262 HydrophobicContact CB-CB 4Å; L236-F262 HydrophobicContact CB-CD2 3.76Å; L236-F262 HydrophobicContact CB-CE2 4.38Å; L236-F262 HydrophobicContact CB-CG 3.83Å; L236-F262 HydrophobicContact CD1-CD1 3.75Å; L236-F262 HydrophobicContact CD1-CD2 4.28Å; L236-F262 HydrophobicContact CD1-CE1 3.92Å; L236-F262 HydrophobicContact CD1-CE2 4.45Å; L236-F262 HydrophobicContact CD1-CG 3.93Å; L236-F262 HydrophobicContact CD1-CZ 4.27Å; L236-F262 HydrophobicContact CG-CD2 4.48Å; L236-F262 HydrophobicContact CG-CG 4.48Å
237A92.3Very high94.5Very high3 Ų355.8 Ų55.83%0.02527%0.269CS..  trans-68.8127-177.900000112.2K212 I214 S239 F262K212-A237 PolarHBondContact O-N 3.2Å; I214-A237 HydrophobicContact CD1-CB 4.11Å; I214-A237 HydrophobicContact CG2-CB 4.07Å; A237-S239 VanDerWaalsContact C-N 3.28Å; A237-S239 PolarHBondContact O-N 2.77Å; A237-F262 PolarHBondContact O-N 2.97Å
238Q91.6Very high94.7Very high6 Ų653.8 Ų53.83%0.02826%0.257CS..SBendtrans-77.2-16.5176.9-64.8173.7-58.500114N223 V224 L236 V261 F262 R263N223-Q238 PolarHBondContact O-NE2 3.14Å; V224-Q238 VanDerWaalsContact CG1-CD 3.43Å; V224-Q238 HydrophobicContact CG1-CG 3.77Å; L236-Q238 PolarHBondContact O-N 3.14Å; Q238-V261 WeakPolarHBondContact O-CG1 3.47Å; Q238-F262 VanDerWaalsContact CA-O 3.25Å; Q238-F262 WeakPolarHBondContact CA-O 3.37Å; Q238-R263 PolarHBondContact O-NH2 3.38Å
239S91.4Very high94.8Very high15 Ų1549.4 Ų49.411%0.10523%0.228CC..  trans-166.8158.9174650000107.6E219 A237 Q241E219-S239 PolarHBondContact OE1-OG 2.8Å; A237-S239 VanDerWaalsContact C-N 3.28Å; A237-S239 PolarHBondContact O-N 2.77Å; S239-Q241 PolarHBondContact O-N 2.7Å; S239-Q241 WeakPolarHBondContact OG-CB 3.09Å; S239-Q241 PolarHBondContact OG-N 2.67Å
240P94.9Very high95Very high3 Ų347.8 Ų47.82%0.01924%0.238CC..SBendtrans-7812.7171.334-35.4000112.8T210 L242 Y243 K244 T257 D280T210-P240 HydrophobicContact CG2-CB 4.42Å; T210-P240 WeakPolarHBondContact OG1-CB 3.45Å; P240-L242 PolarHBondContact O-N 3.16Å; P240-Y243 PolarHBondContact O-N 2.8Å; P240-Y243 VanDerWaalsContact O-N 3.11Å; P240-K244 PolarHBondContact O-N 3.39Å; P240-T257 HydrophobicContact CB-CG2 3.95Å; P240-T257 HydrophobicContact CG-CG2 3.73Å; P240-D280 VanDerWaalsContact CD-OD2 3.3Å; P240-D280 WeakPolarHBondContact CD-OD2 3.23Å; P240-D280 HydrophobicContact CG-CB 3.61Å; P240-D280 VanDerWaalsContact CG-OD2 3.28Å; P240-D280 WeakPolarHBondContact CG-OD2 3.41Å
241Q94.4Very high95.1Very high7 Ų746.1 Ų46.13%0.03324%0.237CC..Hα-helixtrans-54.6-44-166.5-175.560.160.700114.6S239 K244 Q245 E282 Y392 R421S239-Q241 PolarHBondContact O-N 2.7Å; S239-Q241 WeakPolarHBondContact OG-CB 3.09Å; S239-Q241 PolarHBondContact OG-N 2.67Å; Q241-K244 WeakPolarHBondContact O-CG 3.26Å; Q241-Q245 VanDerWaalsContact NE2-CD 3.29Å; Q241-Q245 WeakPolarHBondContact O-CG 3.43Å; Q241-Q245 PolarHBondContact O-N 3.14Å; Q241-Q245 PolarHBondContact O-NE2 3.43Å; Q241-E282 PolarHBondContact NE2-OE2 2.71Å; Q241-Y392 HydrophobicContact CG-CE1 4.07Å; Q241-Y392 HydrophobicContact CG-CE2 4.13Å; Q241-R421 VanDerWaalsContact NE2-NE 3.14Å
242L93.1Very high95.2Very high25 Ų2540.4 Ų40.413%0.13121%0.214CC..Hα-helixtrans-66.7-44.5179.9-56.8-173.8000111.1P240 Q245 M246 Y445P240-L242 PolarHBondContact O-N 3.16Å; L242-Q245 PolarHBondContact O-N 3.37Å; L242-M246 VanDerWaalsContact O-CG 3.29Å; L242-M246 WeakPolarHBondContact O-CG 3.45Å; L242-M246 PolarHBondContact O-N 3.46Å; L242-Y445 HydrophobicContact CB-CD2 3.95Å; L242-Y445 HydrophobicContact CB-CE2 4.31Å; L242-Y445 HydrophobicContact CD2-CD1 4.11Å; L242-Y445 HydrophobicContact CD2-CD2 3.72Å; L242-Y445 HydrophobicContact CD2-CE1 4.05Å; L242-Y445 HydrophobicContact CD2-CE2 3.63Å; L242-Y445 HydrophobicContact CD2-CG 3.95Å; L242-Y445 HydrophobicContact CG-CD2 4.33Å
243Y96.1Very high95.4Very high70 Ų7033.6 Ų33.628%0.27520%0.198SC..Hα-helixtrans-72.2-34.7-176.4-65.4-71.3000113.5T210 P211 I214 P240 Q245 M246 A247T210-Y243 VanDerWaalsContact CG2-CB 3.46Å; T210-Y243 HydrophobicContact CG2-CG 4.34Å; P211-Y243 HydrophobicContact CG-CD1 4.1Å; P211-Y243 HydrophobicContact CG-CD2 4.08Å; P211-Y243 HydrophobicContact CG-CE1 3.62Å; P211-Y243 HydrophobicContact CG-CE2 3.59Å; P211-Y243 HydrophobicContact CG-CG 4.32Å; I214-Y243 HydrophobicContact CG2-CE2 3.66Å; P240-Y243 PolarHBondContact O-N 2.8Å; P240-Y243 VanDerWaalsContact O-N 3.11Å; Y243-Q245 VanDerWaalsContact C-N 3.34Å; Y243-M246 HydrophobicContact CD1-SD 4.37Å; Y243-M246 PolarHBondContact O-N 3.21Å; Y243-A247 WeakPolarHBondContact O-CB 3.38Å; Y243-A247 PolarHBondContact O-N 2.87Å
244K97.3Very high95.8Very high2 Ų234.8 Ų34.81%0.00919%0.194CC..Hα-helixtrans-66.9-36175.465-176.2-178162.70111.9I208 P240 Q241 A247 I248 V255 D280 L281 E282 G459I208-K244 HydrophobicContact CD1-CB 4.39Å; P240-K244 PolarHBondContact O-N 3.39Å; Q241-K244 WeakPolarHBondContact O-CG 3.26Å; K244-A247 WeakPolarHBondContact O-CB 3.27Å; K244-A247 PolarHBondContact O-N 3.35Å; K244-I248 WeakPolarHBondContact O-CG1 3.47Å; K244-I248 PolarHBondContact O-N 3.48Å; K244-V255 HydrophobicContact CB-CG2 4.26Å; K244-D280 HydrophobicContact CD-CB 4.32Å; K244-D280 WeakPolarHBondContact CE-OD1 3.19Å; K244-D280 IonicContact NZ-OD1 3.95Å; K244-D280 PolarHBondContact NZ-OD1 3.43Å; K244-L281 PolarHBondContact NZ-O 3.45Å; K244-E282 HydrophobicContact CB-CB 4.01Å; K244-E282 HydrophobicContact CD-CB 4.07Å; K244-E282 WeakPolarHBondContact CD-OE2 3.26Å; K244-E282 WeakPolarHBondContact CE-OE2 3.38Å; K244-E282 HydrophobicContact CG-CB 4Å; K244-E282 HydrophobicContact CG-CG 4.31Å; K244-E282 IonicContact NZ-OE2 2.83Å; K244-E282 PolarHBondContact NZ-OE2 2.83Å; K244-G459 PolarHBondContact NZ-O 3.21Å
245Q98Very high96.1Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-69.5-41.5172.7-67.8174.195.600112.3Q241 L242 Y243 A247 I248 A249 E282 R421 Y445 F449 H456Q241-Q245 VanDerWaalsContact NE2-CD 3.29Å; Q241-Q245 WeakPolarHBondContact O-CG 3.43Å; Q241-Q245 PolarHBondContact O-N 3.14Å; Q241-Q245 PolarHBondContact O-NE2 3.43Å; L242-Q245 PolarHBondContact O-N 3.37Å; Y243-Q245 VanDerWaalsContact C-N 3.34Å; Q245-A247 PolarHBondContact O-N 3.41Å; Q245-I248 WeakPolarHBondContact O-CA 3.23Å; Q245-I248 WeakPolarHBondContact O-CB 3.47Å; Q245-I248 PolarHBondContact O-N 2.87Å; Q245-A249 PolarHBondContact O-N 3.3Å; Q245-E282 HydrophobicContact CG-CG 4.47Å; Q245-R421 HydrophobicContact CG-CG 4.22Å; Q245-R421 VanDerWaalsContact OE1-CB 3.23Å; Q245-R421 VanDerWaalsContact OE1-CG 3.29Å; Q245-Y445 HydrophobicContact CB-CE2 4.16Å; Q245-Y445 VanDerWaalsContact CD-OH 3.23Å; Q245-Y445 PolarHBondContact NE2-OH 2.74Å; Q245-Y445 PolarHBondContact OE1-OH 2.98Å; Q245-F449 HydrophobicContact CB-CE1 4.38Å; Q245-F449 HydrophobicContact CB-CZ 3.98Å; Q245-H456 PolarHBondContact OE1-NE2 3.42Å
246M97.5Very high96.4Very high66 Ų6631.8 Ų31.833%0.32518%0.181SC..Hα-helixtrans-62.3-31.1174.1-69.8172.570.800112.2L242 Y243 A249 G250 Y445L242-M246 VanDerWaalsContact O-CG 3.29Å; L242-M246 WeakPolarHBondContact O-CG 3.45Å; L242-M246 PolarHBondContact O-N 3.46Å; Y243-M246 HydrophobicContact CD1-SD 4.37Å; Y243-M246 PolarHBondContact O-N 3.21Å; M246-A249 PolarHBondContact O-N 3.19Å; M246-G250 PolarHBondContact O-N 2.88Å; M246-Y445 HydrophobicContact CG-CD2 4.3Å
247A98.3Very high96.6Very high16 Ų1630.4 Ų30.413%0.13217%0.174CC..Hα-helixtrans-67.9-37.4172.700000112.1I208 Y243 K244 Q245 G250 M252 V255I208-A247 HydrophobicContact CD1-CB 3.99Å; Y243-A247 WeakPolarHBondContact O-CB 3.38Å; Y243-A247 PolarHBondContact O-N 2.87Å; K244-A247 WeakPolarHBondContact O-CB 3.27Å; K244-A247 PolarHBondContact O-N 3.35Å; Q245-A247 PolarHBondContact O-N 3.41Å; A247-G250 CarbonylContact O-C 3.48Å; A247-G250 PolarHBondContact O-N 3.41Å; A247-M252 HydrophobicContact CB-SD 3.87Å; A247-M252 WeakPolarHBondContact O-CB 3.42Å; A247-M252 WeakPolarHBondContact O-CG 3.34Å; A247-M252 PolarHBondContact O-N 2.94Å; A247-V255 HydrophobicContact CB-CG1 4.13Å; A247-V255 HydrophobicContact CB-CG2 4.35Å
248I98.6Very high96.9Very high0 Ų031.7 Ų31.70%018%0.18CC..Hα-helixtrans-64.2-44.2170.9-62.6-58.8000111.3K244 Q245 G250 D251 G253 V255 E282 A284 P454 H456K244-I248 WeakPolarHBondContact O-CG1 3.47Å; K244-I248 PolarHBondContact O-N 3.48Å; Q245-I248 WeakPolarHBondContact O-CA 3.23Å; Q245-I248 WeakPolarHBondContact O-CB 3.47Å; Q245-I248 PolarHBondContact O-N 2.87Å; I248-G250 PolarHBondContact O-N 3.38Å; I248-D251 PolarHBondContact O-N 3.03Å; I248-D251 VanDerWaalsContact O-N 3.11Å; I248-G253 WeakPolarHBondContact CD1-O 3.4Å; I248-V255 HydrophobicContact CD1-CG2 4.13Å; I248-V255 HydrophobicContact CG1-CG2 4.48Å; I248-E282 HydrophobicContact CD1-CB 4.46Å; I248-E282 HydrophobicContact CG1-CB 4.09Å; I248-E282 HydrophobicContact CG1-CG 3.79Å; I248-A284 HydrophobicContact CG2-CB 4.35Å; I248-P454 HydrophobicContact CG2-CG 3.81Å; I248-H456 HydrophobicContact CG2-CB 3.79Å
249A98.1Very high97.2Very high20 Ų2032.3 Ų32.317%0.16519%0.188CC..Hα-helixtrans-63.5-20.4173.800000113.1Q245 M246 D251 C453Q245-A249 PolarHBondContact O-N 3.3Å; M246-A249 PolarHBondContact O-N 3.19Å; A249-D251 VanDerWaalsContact C-N 3.31Å; A249-C453 HydrophobicContact CB-CB 4.16Å
250G98Very high97.5Very high53 Ų5333.2 Ų33.255%0.54620%0.195SC..THydrogen-bonded Turntrans-90.425.3172.400000114.4M246 A247 I248 M252M246-G250 PolarHBondContact O-N 2.88Å; A247-G250 CarbonylContact O-C 3.48Å; A247-G250 PolarHBondContact O-N 3.41Å; I248-G250 PolarHBondContact O-N 3.38Å; G250-M252 VanDerWaalsContact C-N 3.3Å; G250-M252 PolarHBondContact O-N 2.95Å
251D97.8Very high97.5Very high142 Ų14233.4 Ų33.476%0.75920%0.195SC*.THydrogen-bonded Turntrans62.421.2176.4-71.7-16.3000116.4I248 A249 G253I248-D251 PolarHBondContact O-N 3.03Å; I248-D251 VanDerWaalsContact O-N 3.11Å; A249-D251 VanDerWaalsContact C-N 3.31Å; D251-G253 VanDerWaalsContact C-N 3.27Å; D251-G253 PolarHBondContact O-N 3.48Å
252M98Very high97.5Very high94 Ų9434.3 Ų34.346%0.46320%0.2SC..  trans-73.5-18176.5-66.7-166.6168.100113.8I208 A247 G250 R254 V255I208-M252 HydrophobicContact CG2-SD 3.76Å; A247-M252 HydrophobicContact CB-SD 3.87Å; A247-M252 WeakPolarHBondContact O-CB 3.42Å; A247-M252 WeakPolarHBondContact O-CG 3.34Å; A247-M252 PolarHBondContact O-N 2.94Å; G250-M252 VanDerWaalsContact C-N 3.3Å; G250-M252 PolarHBondContact O-N 2.95Å; M252-R254 PolarHBondContact O-N 3.34Å; M252-V255 HydrophobicContact CB-CG1 3.47Å; M252-V255 VanDerWaalsContact CB-CG1 3.47Å; M252-V255 HydrophobicContact CG-CG1 4.24Å; M252-V255 HydrophobicContact SD-CG1 3.78Å
253G97.8Very high97.5Very high29 Ų2936.4 Ų36.430%0.29921%0.206SC..  trans70.3-52.617600000115.5I248 D251 M283 A284I248-G253 WeakPolarHBondContact CD1-O 3.4Å; D251-G253 VanDerWaalsContact C-N 3.27Å; D251-G253 PolarHBondContact O-N 3.48Å; G253-M283 CarbonylContact O-C 3.6Å; G253-M283 WeakPolarHBondContact O-CA 3.46Å; G253-A284 PolarHBondContact O-N 3.01Å
254R98.8Very high97.2Very high81 Ų8134.1 Ų34.131%0.30620%0.201SC..EExtended strand (participates in β ladder)trans-144.6118.4-177.7-63.1176.7-173.3-94.8-3.8109.7K203 F205 V206 M252 M283K203-R254 WeakPolarHBondContact O-CD 3.46Å; F205-R254 WeakPolarHBondContact CA-O 3.13Å; F205-R254 HydrophobicContact CB-CB 4.3Å; F205-R254 HydrophobicContact CD1-CB 3.81Å; F205-R254 HydrophobicContact CD2-CB 3.77Å; F205-R254 HydrophobicContact CD2-CG 4.31Å; F205-R254 HydrophobicContact CE1-CB 3.92Å; F205-R254 HydrophobicContact CE2-CB 3.89Å; F205-R254 HydrophobicContact CE2-CG 4.04Å; F205-R254 HydrophobicContact CG-CB 3.7Å; F205-R254 HydrophobicContact CZ-CB 3.95Å; F205-R254 HydrophobicContact CZ-CG 4.17Å; V206-R254 PolarHBondContact N-O 3.28Å; M252-R254 PolarHBondContact O-N 3.34Å; R254-M283 HydrophobicContact CB-CB 4.42Å; R254-M283 HydrophobicContact CG-CB 3.93Å
255V98.9Very high96.6Very high0 Ų037.7 Ų37.70%022%0.218CC..EExtended strand (participates in β ladder)trans-133.2148.9-175.7-62.50000112.2F205 V206 I208 K244 A247 I248 M252 L281 E282F205-V255 WeakPolarHBondContact CD1-O 3.12Å; V206-V255 VanDerWaalsContact O-CA 3.32Å; V206-V255 WeakPolarHBondContact O-CA 3.25Å; I208-V255 HydrophobicContact CD1-CB 3.98Å; I208-V255 HydrophobicContact CD1-CG1 4.49Å; I208-V255 HydrophobicContact CD1-CG2 4.02Å; I208-V255 HydrophobicContact CG1-CB 4.28Å; I208-V255 HydrophobicContact CG2-CB 4.11Å; I208-V255 HydrophobicContact CG2-CG1 3.93Å; K244-V255 HydrophobicContact CB-CG2 4.26Å; A247-V255 HydrophobicContact CB-CG1 4.13Å; A247-V255 HydrophobicContact CB-CG2 4.35Å; I248-V255 HydrophobicContact CD1-CG2 4.13Å; I248-V255 HydrophobicContact CG1-CG2 4.48Å; M252-V255 HydrophobicContact CB-CG1 3.47Å; M252-V255 VanDerWaalsContact CB-CG1 3.47Å; M252-V255 HydrophobicContact CG-CG1 4.24Å; M252-V255 HydrophobicContact SD-CG1 3.78Å; V255-L281 CarbonylContact O-C 3.51Å; V255-L281 VanDerWaalsContact O-CA 3.28Å; V255-L281 WeakPolarHBondContact O-CA 3.29Å; V255-E282 HydrophobicContact CG2-CB 3.93Å; V255-E282 PolarHBondContact N-O 3.47Å; V255-E282 PolarHBondContact O-N 2.97Å
256F98.9Very high96.1Very high2 Ų244.8 Ų44.81%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-139.2159.7169.176.9-82.3000111.7F196 R197 L200 F205 V206 E207 I208 D280 L281F196-F256 HydrophobicContact CD1-CD2 4.32Å; F196-F256 HydrophobicContact CE1-CB 4.23Å; F196-F256 AromaticContact CE1-CD2 3.8Å; F196-F256 HydrophobicContact CE1-CD2 3.8Å; F196-F256 HydrophobicContact CE1-CG 4.33Å; R197-F256 HydrophobicContact CB-CE2 4.34Å; R197-F256 HydrophobicContact CB-CZ 4.44Å; R197-F256 HydrophobicContact CG-CE2 4.12Å; R197-F256 HydrophobicContact CG-CZ 3.83Å; L200-F256 HydrophobicContact CB-CD1 4.18Å; L200-F256 HydrophobicContact CB-CE1 4.49Å; L200-F256 HydrophobicContact CB-CG 4.49Å; L200-F256 HydrophobicContact CD1-CB 3.56Å; L200-F256 HydrophobicContact CD1-CD1 4.31Å; L200-F256 HydrophobicContact CD1-CD2 4.41Å; L200-F256 HydrophobicContact CD1-CG 3.86Å; F205-F256 HydrophobicContact CB-CD1 3.72Å; F205-F256 HydrophobicContact CB-CE1 4.25Å; F205-F256 HydrophobicContact CD1-CB 4.41Å; V206-F256 PolarHBondContact O-N 3.49Å; E207-F256 CarbonylContact C-O 3.57Å; E207-F256 WeakPolarHBondContact CA-O 3.49Å; E207-F256 HydrophobicContact CB-CD1 4.38Å; E207-F256 HydrophobicContact CB-CE1 3.68Å; E207-F256 HydrophobicContact CB-CE2 3.86Å; E207-F256 HydrophobicContact CB-CZ 3.37Å; E207-F256 HydrophobicContact CG-CD2 4.21Å; E207-F256 HydrophobicContact CG-CE1 4.33Å; E207-F256 HydrophobicContact CG-CE2 3.56Å; E207-F256 HydrophobicContact CG-CZ 3.64Å; I208-F256 WeakPolarHBondContact CG1-O 3.2Å; I208-F256 PolarHBondContact N-O 2.81Å; F256-D280 CarbonylContact C-O 3.52Å; F256-D280 WeakPolarHBondContact CA-O 3.3Å; F256-D280 VanDerWaalsContact CB-O 3.27Å; F256-D280 WeakPolarHBondContact CB-O 3.46Å; F256-L281 HydrophobicContact CB-CB 4.14Å
257T98.7Very high95.7Very high4 Ų443 Ų433%0.02525%0.25CS..EExtended strand (participates in β ladder)trans-146.1141174.7-168.30000110.6I208 P240 D280I208-T257 WeakPolarHBondContact O-CB 3.33Å; I208-T257 PolarHBondContact O-OG1 3.24Å; P240-T257 HydrophobicContact CB-CG2 3.95Å; P240-T257 HydrophobicContact CG-CG2 3.73Å; T257-D280 HydrophobicContact CG2-CB 3.7Å; T257-D280 PolarHBondContact N-O 2.9Å; T257-D280 PolarHBondContact O-N 2.9Å
258I98.7Very high95.3Very high31 Ų3145.6 Ų45.616%0.15926%0.262CS..EExtended strand (participates in β ladder)trans-113.8118.7170-62.1174.8000107.1C193 F196 I277 G278 L279C193-I258 HydrophobicContact CB-CD1 4.31Å; F196-I258 HydrophobicContact CD1-CD1 4.01Å; F196-I258 HydrophobicContact CD1-CG1 4.2Å; F196-I258 HydrophobicContact CE1-CG1 4.26Å; I258-I277 HydrophobicContact CG2-CG2 3.83Å; I258-G278 WeakPolarHBondContact CA-O 3.4Å; I258-L279 HydrophobicContact CB-CD2 4.36Å; I258-L279 HydrophobicContact CD1-CD2 4.16Å; I258-L279 HydrophobicContact CG1-CD2 3.8Å; I258-L279 HydrophobicContact CG2-CD2 3.88Å
259G97.9Very high94.9Very high19 Ų1947.9 Ų47.920%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-178.1176.117900000114.6G278G259-G278 PolarHBondContact N-O 2.89Å; G259-G278 VanDerWaalsContact N-O 3.11Å; G259-G278 PolarHBondContact O-N 2.98Å
260S97.3Very high94.6Very high34 Ų3450.5 Ų50.524%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-62.8141.4-176.6-54.50000112.8E275 F276S260-E275 PolarHBondContact OG-OE1 3.36Å; S260-F276 CarbonylContact C-O 3.59Å; S260-F276 WeakPolarHBondContact CA-O 3.17Å
261V95.5Very high94.2Very high6 Ų650.2 Ų50.24%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-126.9137.7173.91790000108.3Q238 E275 F276Q238-V261 WeakPolarHBondContact O-CG1 3.47Å; V261-E275 WeakPolarHBondContact O-CA 3.18Å; V261-F276 HydrophobicContact CB-CD1 4.32Å; V261-F276 HydrophobicContact CB-CD2 4.14Å; V261-F276 HydrophobicContact CB-CE1 3.93Å; V261-F276 HydrophobicContact CB-CE2 3.72Å; V261-F276 HydrophobicContact CB-CG 4.43Å; V261-F276 HydrophobicContact CB-CZ 3.61Å; V261-F276 HydrophobicContact CG1-CD1 4.43Å; V261-F276 HydrophobicContact CG1-CE1 3.6Å; V261-F276 HydrophobicContact CG1-CE2 3.89Å; V261-F276 HydrophobicContact CG1-CZ 3.28Å; V261-F276 HydrophobicContact CG2-CE2 4.16Å; V261-F276 HydrophobicContact CG2-CZ 4.38Å; V261-F276 PolarHBondContact N-O 2.84Å; V261-F276 PolarHBondContact O-N 3.29Å; V261-F276 VanDerWaalsContact O-N 3.07Å
262F95.3Very high94Very high27 Ų2745.8 Ų45.812%0.11824%0.242CC..EExtended strand (participates in β ladder)trans-120.8124-173.8-56.2-85.4000111.8K212 F225 L236 A237 Q238 T274 E275K212-F262 HydrophobicContact CB-CE2 4.1Å; F225-F262 HydrophobicContact CD2-CB 4.02Å; F225-F262 HydrophobicContact CE2-CB 4.38Å; L236-F262 HydrophobicContact CB-CB 4Å; L236-F262 HydrophobicContact CB-CD2 3.76Å; L236-F262 HydrophobicContact CB-CE2 4.38Å; L236-F262 HydrophobicContact CB-CG 3.83Å; L236-F262 HydrophobicContact CD1-CD1 3.75Å; L236-F262 HydrophobicContact CD1-CD2 4.28Å; L236-F262 HydrophobicContact CD1-CE1 3.92Å; L236-F262 HydrophobicContact CD1-CE2 4.45Å; L236-F262 HydrophobicContact CD1-CG 3.93Å; L236-F262 HydrophobicContact CD1-CZ 4.27Å; L236-F262 HydrophobicContact CG-CD2 4.48Å; L236-F262 HydrophobicContact CG-CG 4.48Å; A237-F262 PolarHBondContact O-N 2.97Å; Q238-F262 VanDerWaalsContact CA-O 3.25Å; Q238-F262 WeakPolarHBondContact CA-O 3.37Å; F262-T274 CarbonylContact C-O 3.58Å; F262-T274 WeakPolarHBondContact CA-O 3.33Å; F262-E275 HydrophobicContact CD1-CB 4.13Å; F262-E275 HydrophobicContact CD1-CG 4.01Å; F262-E275 HydrophobicContact CE1-CB 4.25Å; F262-E275 HydrophobicContact CE1-CG 3.71Å; F262-E275 HydrophobicContact CZ-CG 4.5Å
263R91.4Very high93.9Very high68 Ų6842 Ų4226%0.25722%0.223SC..  trans-119110.7175.2-66.8-73.5-178.3-173.1-4.8108.8E219 Q238 E265 T274 F276E219-R263 IonicContact OE1-NH2 2.63Å; E219-R263 IonicContact OE2-CZ 2.8Å; E219-R263 IonicContact OE2-NH1 2.67Å; E219-R263 PolarHBondContact OE2-NH1 2.9Å; E219-R263 IonicContact OE2-NH2 2.7Å; Q238-R263 PolarHBondContact O-NH2 3.38Å; R263-E265 PolarHBondContact O-N 2.83Å; R263-E265 VanDerWaalsContact O-N 3.12Å; R263-T274 PolarHBondContact N-O 3.48Å; R263-T274 WeakPolarHBondContact O-CA 3.44Å; R263-F276 HydrophobicContact CG-CE1 3.81Å
264A90.6Very high93.8Very high22 Ų2241.5 Ų41.518%0.18221%0.214CC..  trans-8946.8-179.900000111.6N223 F225N223-A264 WeakPolarHBondContact CB-O 3.3Å; N223-A264 WeakPolarHBondContact O-CB 3.32Å; N223-A264 PolarHBondContact O-N 3.45Å; F225-A264 HydrophobicContact CD1-CB 3.82Å; F225-A264 HydrophobicContact CD2-CB 3.7Å; F225-A264 HydrophobicContact CE1-CB 3.8Å; F225-A264 HydrophobicContact CE2-CB 3.7Å; F225-A264 HydrophobicContact CG-CB 3.76Å; F225-A264 HydrophobicContact CZ-CB 3.74Å
265E85.2Confident93.7Very high78 Ų7841 Ų4136%0.36422%0.215SC..  trans-95.4135.8174.7-66.4174.5-169.200109N223 R263 S267N223-E265 HydrophobicContact CB-CG 3.96Å; R263-E265 PolarHBondContact O-N 2.83Å; R263-E265 VanDerWaalsContact O-N 3.12Å; E265-S267 PolarHBondContact O-N 3.47Å
266D87.4Confident93.6Very high148 Ų14843 Ų4379%0.79122%0.224SC*.  trans-77.757.6173.6-168.712.9000111P486D266-P486 WeakPolarHBondContact OD1-CB 3.44Å
267S88.2Confident93.6Very high30 Ų3045.2 Ų45.221%0.2124%0.235CC..  trans-110.294.8-176.2-157.40000110.8E265 T269 H272E265-S267 PolarHBondContact O-N 3.47Å; S267-T269 PolarHBondContact O-N 3.26Å; S267-H272 PolarHBondContact OG-CE1 3.22Å; S267-H272 PolarHBondContact OG-ND1 3.43Å
268N90Very high93.6Very high69 Ų6945.1 Ų45.137%0.36924%0.236SC..  trans-9565178.9-170.947.9000112.1R477N268-R477 PolarHBondContact OD1-NH2 3.1Å
269T91.3Very high93.6Very high49 Ų4943.8 Ų43.830%0.30123%0.229SC..SBendtrans-107.3173.9178.778.50000111.6S267 R271 H272 R477S267-T269 PolarHBondContact O-N 3.26Å; T269-R271 PolarHBondContact O-N 3.32Å; T269-R271 VanDerWaalsContact OG1-CG 3.27Å; T269-R271 WeakPolarHBondContact OG1-CG 3.43Å; T269-R271 PolarHBondContact OG1-N 3.04Å; T269-H272 PolarHBondContact OG1-N 2.91Å; T269-H272 PolarHBondContact OG1-ND1 3.46Å; T269-R477 PolarHBondContact O-NH1 2.98Å
270H90.7Very high93.6Very high75 Ų7543.3 Ų43.335%0.34722%0.222SC..SBendtrans-69.6-12.4175.763.4-84.7000114.1S474 N475 V476H270-S474 PolarHBondContact CD2-O 2.96Å; H270-N475 HydrophobicContact CB-CB 4.47Å; H270-N475 CarbonylContact O-C 3.43Å; H270-N475 WeakPolarHBondContact O-CA 3.48Å; H270-N475 PolarHBondContact O-OD1 3.01Å; H270-V476 WeakPolarHBondContact O-CG1 3.46Å; H270-V476 PolarHBondContact O-N 3.36Å
271R90Very high93.7Very high47 Ų4741.7 Ų41.718%0.17721%0.211CC..SBendtrans-113-13.6-17464.3173.9-163.9179.12.8114.6T269 T360 E363T269-R271 PolarHBondContact O-N 3.32Å; T269-R271 VanDerWaalsContact OG1-CG 3.27Å; T269-R271 WeakPolarHBondContact OG1-CG 3.43Å; T269-R271 PolarHBondContact OG1-N 3.04Å; R271-T360 PolarHBondContact NH1-OG1 2.93Å; R271-T360 PolarHBondContact NH2-OG1 3.07Å; R271-E363 IonicContact NH1-OE2 3.4Å; R271-E363 PolarHBondContact NH1-OE2 3.21Å
272H92.6Very high93.9Very high49 Ų4941.4 Ų41.423%0.22721%0.209CC..  trans-104.7143.8-177-54.4133.2000112.2S267 T269S267-H272 PolarHBondContact OG-CE1 3.22Å; S267-H272 PolarHBondContact OG-ND1 3.43Å; T269-H272 PolarHBondContact OG1-N 2.91Å; T269-H272 PolarHBondContact OG1-ND1 3.46Å
273L95.8Very high94Very high15 Ų1540.2 Ų40.28%0.07920%0.204CC..  trans-128.3152.2168.9-64.9173000108.1E275 F276 E464 V476 R477 P483 R484L273-E275 WeakPolarHBondContact CB-O 3.05Å; L273-F276 HydrophobicContact CB-CB 4.3Å; L273-F276 HydrophobicContact CD1-CB 4.13Å; L273-E464 HydrophobicContact CD1-CB 4.32Å; L273-E464 HydrophobicContact CD1-CG 4.17Å; L273-V476 HydrophobicContact CD1-CG1 4.2Å; L273-V476 HydrophobicContact CD1-CG2 3.89Å; L273-V476 HydrophobicContact CD2-CG1 3.85Å; L273-V476 HydrophobicContact CG-CG1 3.67Å; L273-V476 HydrophobicContact CG-CG2 4.19Å; L273-R477 HydrophobicContact CD2-CG 4.19Å; L273-P483 HydrophobicContact CD2-CB 4.08Å; L273-R484 CarbonylContact C-O 3.24Å; L273-R484 WeakPolarHBondContact CA-O 3.01Å; L273-R484 WeakPolarHBondContact CD2-O 3.45Å
274T96.1Very high94.4Very high18 Ų1838.1 Ų38.111%0.1120%0.2CC..SBendtrans-85.1-24.8175.150.10000112.6F225 F262 R263 R484 D485 P486F225-T274 HydrophobicContact CZ-CG2 4.36Å; F262-T274 CarbonylContact C-O 3.58Å; F262-T274 WeakPolarHBondContact CA-O 3.33Å; R263-T274 PolarHBondContact N-O 3.48Å; R263-T274 WeakPolarHBondContact O-CA 3.44Å; T274-R484 PolarHBondContact N-O 3.34Å; T274-R484 PolarHBondContact OG1-O 2.92Å; T274-D485 WeakPolarHBondContact OG1-CA 3.25Å; T274-D485 PolarHBondContact OG1-N 2.63Å; T274-P486 HydrophobicContact CG2-CG 4.04Å
275E97.4Very high94.8Very high69 Ų6937.6 Ų37.632%0.32219%0.194SC..EExtended strand (participates in β ladder)trans-132131.6168.5179.8-178.2-175.400108.8S260 V261 F262 L273 R484S260-E275 PolarHBondContact OG-OE1 3.36Å; V261-E275 WeakPolarHBondContact O-CA 3.18Å; F262-E275 HydrophobicContact CD1-CB 4.13Å; F262-E275 HydrophobicContact CD1-CG 4.01Å; F262-E275 HydrophobicContact CE1-CB 4.25Å; F262-E275 HydrophobicContact CE1-CG 3.71Å; F262-E275 HydrophobicContact CZ-CG 4.5Å; L273-E275 WeakPolarHBondContact CB-O 3.05Å; E275-R484 HydrophobicContact CB-CB 3.97Å; E275-R484 HydrophobicContact CB-CG 4.26Å
276F97.5Very high95.4Very high43 Ų4339.3 Ų39.319%0.18921%0.206CC..EExtended strand (participates in β ladder)trans-149.5172.1177.667.1-89.5000110.8S260 V261 R263 L273 E464S260-F276 CarbonylContact C-O 3.59Å; S260-F276 WeakPolarHBondContact CA-O 3.17Å; V261-F276 HydrophobicContact CB-CD1 4.32Å; V261-F276 HydrophobicContact CB-CD2 4.14Å; V261-F276 HydrophobicContact CB-CE1 3.93Å; V261-F276 HydrophobicContact CB-CE2 3.72Å; V261-F276 HydrophobicContact CB-CG 4.43Å; V261-F276 HydrophobicContact CB-CZ 3.61Å; V261-F276 HydrophobicContact CG1-CD1 4.43Å; V261-F276 HydrophobicContact CG1-CE1 3.6Å; V261-F276 HydrophobicContact CG1-CE2 3.89Å; V261-F276 HydrophobicContact CG1-CZ 3.28Å; V261-F276 HydrophobicContact CG2-CE2 4.16Å; V261-F276 HydrophobicContact CG2-CZ 4.38Å; V261-F276 PolarHBondContact N-O 2.84Å; V261-F276 PolarHBondContact O-N 3.29Å; V261-F276 VanDerWaalsContact O-N 3.07Å; R263-F276 HydrophobicContact CG-CE1 3.81Å; L273-F276 HydrophobicContact CB-CB 4.3Å; L273-F276 HydrophobicContact CD1-CB 4.13Å; F276-E464 WeakPolarHBondContact CA-OE1 3.46Å; F276-E464 WeakPolarHBondContact CB-OE2 3.36Å
277I98.6Very high95.9Very high48 Ų4841.4 Ų41.425%0.24621%0.208CC..EExtended strand (participates in β ladder)trans-96.2119.3178.3-56.8-57.9000110.4I258 L279 L463 E464I258-I277 HydrophobicContact CG2-CG2 3.83Å; I277-L279 HydrophobicContact CG2-CD2 4.4Å; I277-L463 HydrophobicContact CB-CB 3.98Å; I277-L463 HydrophobicContact CB-CD2 3.81Å; I277-L463 HydrophobicContact CG1-CD2 4.33Å; I277-L463 HydrophobicContact CG2-CB 4.18Å; I277-L463 HydrophobicContact CG2-CD2 3.78Å; I277-L463 VanDerWaalsContact O-CB 3.32Å; I277-L463 WeakPolarHBondContact O-CB 3.26Å; I277-L463 PolarHBondContact O-N 2.92Å; I277-E464 PolarHBondContact N-OE1 3.26Å; I277-E464 PolarHBondContact N-OE2 3.31Å
278G98.2Very high96.4Very high3 Ų344.3 Ų44.33%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-86.7136.5171.200000111.6I258 G259 I461I258-G278 WeakPolarHBondContact CA-O 3.4Å; G259-G278 PolarHBondContact N-O 2.89Å; G259-G278 VanDerWaalsContact N-O 3.11Å; G259-G278 PolarHBondContact O-N 2.98Å; G278-I461 CarbonylContact C-O 3.57Å; G278-I461 WeakPolarHBondContact CA-O 3.03Å
279L98.7Very high96.8Very high2 Ų241.1 Ų41.11%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-107.198163-36.3173.5000106.6I192 F196 I258 I277 I461 L463I192-L279 HydrophobicContact CG2-CD1 4.05Å; F196-L279 HydrophobicContact CB-CD1 4.48Å; F196-L279 HydrophobicContact CD1-CB 4.17Å; F196-L279 HydrophobicContact CD2-CB 4.24Å; F196-L279 HydrophobicContact CD2-CD1 4.32Å; F196-L279 HydrophobicContact CE1-CB 3.85Å; F196-L279 HydrophobicContact CE2-CB 3.95Å; F196-L279 HydrophobicContact CG-CB 4.33Å; F196-L279 HydrophobicContact CG-CD1 4.27Å; F196-L279 HydrophobicContact CZ-CB 3.72Å; I258-L279 HydrophobicContact CB-CD2 4.36Å; I258-L279 HydrophobicContact CD1-CD2 4.16Å; I258-L279 HydrophobicContact CG1-CD2 3.8Å; I258-L279 HydrophobicContact CG2-CD2 3.88Å; I277-L279 HydrophobicContact CG2-CD2 4.4Å; L279-I461 HydrophobicContact CB-CB 4.12Å; L279-I461 HydrophobicContact CD1-CG2 4.32Å; L279-I461 PolarHBondContact N-O 3.27Å; L279-I461 WeakPolarHBondContact O-CB 3.28Å; L279-I461 PolarHBondContact O-N 3.45Å; L279-L463 HydrophobicContact CD1-CD1 4.16Å; L279-L463 HydrophobicContact CD2-CB 4.22Å; L279-L463 HydrophobicContact CD2-CD1 4.37Å; L279-L463 HydrophobicContact CG-CB 4.26Å
280D98.7Very high97.2Very high9 Ų941.9 Ų41.95%0.04820%0.201CC..EExtended strand (participates in β ladder)trans-107143.7-174.1-92.7-93.7000110.6P240 K244 F256 T257 G460P240-D280 VanDerWaalsContact CD-OD2 3.3Å; P240-D280 WeakPolarHBondContact CD-OD2 3.23Å; P240-D280 HydrophobicContact CG-CB 3.61Å; P240-D280 VanDerWaalsContact CG-OD2 3.28Å; P240-D280 WeakPolarHBondContact CG-OD2 3.41Å; K244-D280 HydrophobicContact CD-CB 4.32Å; K244-D280 WeakPolarHBondContact CE-OD1 3.19Å; K244-D280 IonicContact NZ-OD1 3.95Å; K244-D280 PolarHBondContact NZ-OD1 3.43Å; F256-D280 CarbonylContact C-O 3.52Å; F256-D280 WeakPolarHBondContact CA-O 3.3Å; F256-D280 VanDerWaalsContact CB-O 3.27Å; F256-D280 WeakPolarHBondContact CB-O 3.46Å; T257-D280 HydrophobicContact CG2-CB 3.7Å; T257-D280 PolarHBondContact N-O 2.9Å; T257-D280 PolarHBondContact O-N 2.9Å; D280-G460 WeakPolarHBondContact OD1-CA 3.18Å
281L98.7Very high97.6Very high1 Ų141 Ų411%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-140154.9169.469.2103.3000111.2F196 L200 F205 K244 V255 F256 L295 I296 G458 G459F196-L281 HydrophobicContact CE2-CD2 3.98Å; F196-L281 HydrophobicContact CZ-CD2 4.09Å; L200-L281 HydrophobicContact CD1-CB 4.1Å; L200-L281 HydrophobicContact CD1-CD2 4.15Å; L200-L281 HydrophobicContact CD2-CD2 4.49Å; F205-L281 HydrophobicContact CE1-CB 4.13Å; F205-L281 HydrophobicContact CE1-CD1 4.13Å; F205-L281 HydrophobicContact CZ-CD1 4.45Å; K244-L281 PolarHBondContact NZ-O 3.45Å; V255-L281 CarbonylContact O-C 3.51Å; V255-L281 VanDerWaalsContact O-CA 3.28Å; V255-L281 WeakPolarHBondContact O-CA 3.29Å; F256-L281 HydrophobicContact CB-CB 4.14Å; L281-L295 HydrophobicContact CD1-CD2 4.15Å; L281-I296 HydrophobicContact CD1-CD1 3.99Å; L281-I296 HydrophobicContact CD1-CG1 3.78Å; L281-I296 HydrophobicContact CD2-CD1 4.49Å; L281-I296 HydrophobicContact CD2-CG1 4Å; L281-I296 HydrophobicContact CG-CD1 4.48Å; L281-I296 HydrophobicContact CG-CG1 4.35Å; L281-G458 WeakPolarHBondContact O-CA 3.3Å; L281-G459 PolarHBondContact N-O 2.97Å; L281-G459 PolarHBondContact O-N 2.76Å; L281-G459 VanDerWaalsContact O-N 3.16Å
282E98.8Very high98Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-145.9142.6172.1-155.778.9-154.200108.2Q241 K244 Q245 I248 V255 R421 H456 G457 G458Q241-E282 PolarHBondContact NE2-OE2 2.71Å; K244-E282 HydrophobicContact CB-CB 4.01Å; K244-E282 HydrophobicContact CD-CB 4.07Å; K244-E282 WeakPolarHBondContact CD-OE2 3.26Å; K244-E282 WeakPolarHBondContact CE-OE2 3.38Å; K244-E282 HydrophobicContact CG-CB 4Å; K244-E282 HydrophobicContact CG-CG 4.31Å; K244-E282 IonicContact NZ-OE2 2.83Å; K244-E282 PolarHBondContact NZ-OE2 2.83Å; Q245-E282 HydrophobicContact CG-CG 4.47Å; I248-E282 HydrophobicContact CD1-CB 4.46Å; I248-E282 HydrophobicContact CG1-CB 4.09Å; I248-E282 HydrophobicContact CG1-CG 3.79Å; V255-E282 HydrophobicContact CG2-CB 3.93Å; V255-E282 PolarHBondContact N-O 3.47Å; V255-E282 PolarHBondContact O-N 2.97Å; E282-R421 VanDerWaalsContact OE1-CG 3.22Å; E282-R421 WeakPolarHBondContact OE1-CG 3.39Å; E282-R421 IonicContact OE1-NE 3.7Å; E282-H456 IonicContact OE1-CD2 3.64Å; E282-G457 WeakPolarHBondContact CA-O 3.29Å; E282-G457 VanDerWaalsContact OE1-CA 3.32Å; E282-G457 WeakPolarHBondContact OE1-CA 3.16Å; E282-G458 PolarHBondContact OE1-N 3.47Å
283M98.8Very high98.3Very high2 Ų236.5 Ų36.51%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-145.7145.8175.458.7172.1-79.400112.1F205 G253 R254 F285 V292 L295 H456 G457F205-M283 HydrophobicContact CE1-CB 4.17Å; F205-M283 HydrophobicContact CZ-CB 3.9Å; F205-M283 HydrophobicContact CZ-CG 4.27Å; F205-M283 HydrophobicContact CZ-SD 4Å; G253-M283 CarbonylContact O-C 3.6Å; G253-M283 WeakPolarHBondContact O-CA 3.46Å; R254-M283 HydrophobicContact CB-CB 4.42Å; R254-M283 HydrophobicContact CG-CB 3.93Å; M283-F285 HydrophobicContact CE-CB 4.43Å; M283-V292 HydrophobicContact CG-CB 4.49Å; M283-V292 HydrophobicContact CG-CG1 4.15Å; M283-V292 HydrophobicContact CG-CG2 3.89Å; M283-V292 HydrophobicContact SD-CG1 4.49Å; M283-V292 HydrophobicContact SD-CG2 4.26Å; M283-L295 HydrophobicContact SD-CB 4.19Å; M283-L295 HydrophobicContact SD-CD1 3.92Å; M283-L295 HydrophobicContact SD-CD2 3.93Å; M283-L295 HydrophobicContact SD-CG 4.22Å; M283-H456 WeakPolarHBondContact O-CA 3.35Å; M283-H456 VanDerWaalsContact O-CB 3.28Å; M283-H456 WeakPolarHBondContact O-CB 3.42Å; M283-G457 PolarHBondContact N-O 2.84Å; M283-G457 PolarHBondContact O-N 2.81Å
284A98.8Very high98.4Very high23 Ų2340.6 Ų40.619%0.1920%0.2CC..EExtended strand (participates in β ladder)trans-67.8140.4161.100000109.6I248 G253 P454 P455I248-A284 HydrophobicContact CG2-CB 4.35Å; G253-A284 PolarHBondContact O-N 3.01Å; A284-P454 HydrophobicContact CB-CB 4.1Å; A284-P454 HydrophobicContact CB-CG 3.84Å; A284-P455 WeakPolarHBondContact CA-O 3.48Å
285F98.7Very high98.5Very high12 Ų1240.4 Ų40.45%0.05320%0.198CC..  trans-124.5169.7174.163.8-99.9000110.1M283 E291 V292 Q420 P455 H456M283-F285 HydrophobicContact CE-CB 4.43Å; F285-E291 HydrophobicContact CB-CB 4.01Å; F285-V292 HydrophobicContact CB-CG2 4.28Å; F285-V292 HydrophobicContact CD1-CG2 3.8Å; F285-V292 HydrophobicContact CG-CG2 4.4Å; F285-Q420 HydrophobicContact CE1-CG 3.89Å; F285-Q420 HydrophobicContact CZ-CG 3.79Å; F285-P455 HydrophobicContact CD2-CB 4.38Å; F285-P455 HydrophobicContact CE1-CB 4.22Å; F285-P455 HydrophobicContact CE2-CB 3.76Å; F285-P455 HydrophobicContact CE2-CG 4.32Å; F285-P455 HydrophobicContact CZ-CB 3.67Å; F285-P455 PolarHBondContact N-O 3.18Å; F285-H456 VanDerWaalsContact CE1-C 3.43Å; F285-H456 WeakPolarHBondContact CE1-O 3.39Å
286N98.4Very high98.6Very high113 Ų11337.1 Ų37.160%0.60418%0.183SC*.SBendtrans-87.8-61.3-173.8-59.1-65.4000112.1E291N286-E291 PolarHBondContact N-OE1 3.31Å; N286-E291 VanDerWaalsContact N-OE1 3.1Å; N286-E291 PolarHBondContact N-OE2 3.08Å; N286-E291 PolarHBondContact ND2-OE2 2.92Å
287F98.2Very high98.6Very high193 Ų19335.7 Ų35.785%0.84618%0.178SC*.SBendtrans-129-31.1-169.7-63.8-71.3000113.5E291F287-E291 PolarHBondContact N-OE1 2.73Å
288H98.7Very high98.6Very high90 Ų9038.7 Ų38.742%0.41719%0.191SC..  trans-141.6138.8-175.1-158.8-94.5000112.4H290 E291H288-H290 AromaticContact CE1-CD2 3.74Å; H288-H290 AromaticContact CE1-CE1 3.75Å; H288-H290 AromaticContact CE1-CG 3.47Å; H288-H290 VanDerWaalsContact CE1-CG 3.47Å; H288-H290 AromaticContact CE1-ND1 3.45Å; H288-H290 PolarHBondContact CE1-ND1 2.85Å; H288-H290 AromaticContact CE1-NE2 3.91Å; H288-H290 WeakPolarHBondContact ND1-CB 3.46Å; H288-H290 AromaticContact ND1-CD2 3.85Å; H288-H290 AromaticContact ND1-CG 3.26Å; H288-H290 VanDerWaalsContact ND1-CG 3.26Å; H288-H290 PolarHBondContact ND1-N 3.29Å; H288-H290 AromaticContact ND1-ND1 3.53Å; H288-H290 PolarHBondContact O-N 3.07Å; H288-H290 VanDerWaalsContact O-N 3.09Å; H288-E291 PolarHBondContact N-OE1 3.16Å; H288-E291 VanDerWaalsContact N-OE1 3.11Å; H288-E291 WeakPolarHBondContact O-CB 3.41Å; H288-E291 VanDerWaalsContact O-CG 3.32Å; H288-E291 WeakPolarHBondContact O-CG 3.18Å; H288-E291 PolarHBondContact O-N 3.01Å
289Y98.7Very high98.6Very high3 Ų338.6 Ų38.61%0.01219%0.19CC..THydrogen-bonded Turntrans-66.6-12.7-178.678.8-81000114E291 V292 I293 D382 N404 Y406 Q420Y289-E291 PolarHBondContact O-N 2.74Å; Y289-V292 WeakPolarHBondContact O-CA 3.34Å; Y289-V292 VanDerWaalsContact O-CB 3.25Å; Y289-V292 WeakPolarHBondContact O-CB 3.33Å; Y289-V292 PolarHBondContact O-N 2.99Å; Y289-I293 HydrophobicContact CD2-CD1 4.19Å; Y289-I293 HydrophobicContact CD2-CG1 4.31Å; Y289-I293 HydrophobicContact CE2-CD1 3.74Å; Y289-I293 HydrophobicContact CE2-CG1 4.36Å; Y289-I293 PolarHBondContact O-N 3.14Å; Y289-D382 WeakPolarHBondContact CE2-OD1 3.32Å; Y289-D382 PolarHBondContact OH-OD1 3.49Å; Y289-D382 PolarHBondContact OH-OD2 2.92Å; Y289-N404 HydrophobicContact CD1-CB 3.77Å; Y289-N404 HydrophobicContact CD2-CB 4.38Å; Y289-N404 HydrophobicContact CE1-CB 3.7Å; Y289-N404 HydrophobicContact CE2-CB 4.3Å; Y289-N404 HydrophobicContact CG-CB 4.12Å; Y289-Y406 HydrophobicContact CD2-CD1 4.02Å; Y289-Y406 AromaticContact CD2-CE1 3.97Å; Y289-Y406 HydrophobicContact CD2-CE1 3.97Å; Y289-Y406 AromaticContact CE2-CD1 3.89Å; Y289-Y406 HydrophobicContact CE2-CD1 3.89Å; Y289-Y406 HydrophobicContact CE2-CE1 4.32Å; Y289-Q420 HydrophobicContact CG-CB 4.18Å
290H98.7Very high98.6Very high64 Ų6438.6 Ų38.630%0.29619%0.19SC..Hα-helixtrans-62.1-24.6169.5-72.3173.6000112.5H288 V292 I293 D294 D382H288-H290 AromaticContact CE1-CD2 3.74Å; H288-H290 AromaticContact CE1-CE1 3.75Å; H288-H290 AromaticContact CE1-CG 3.47Å; H288-H290 VanDerWaalsContact CE1-CG 3.47Å; H288-H290 AromaticContact CE1-ND1 3.45Å; H288-H290 PolarHBondContact CE1-ND1 2.85Å; H288-H290 AromaticContact CE1-NE2 3.91Å; H288-H290 WeakPolarHBondContact ND1-CB 3.46Å; H288-H290 AromaticContact ND1-CD2 3.85Å; H288-H290 AromaticContact ND1-CG 3.26Å; H288-H290 VanDerWaalsContact ND1-CG 3.26Å; H288-H290 PolarHBondContact ND1-N 3.29Å; H288-H290 AromaticContact ND1-ND1 3.53Å; H288-H290 PolarHBondContact O-N 3.07Å; H288-H290 VanDerWaalsContact O-N 3.09Å; H290-V292 PolarHBondContact O-N 3.49Å; H290-V292 VanDerWaalsContact O-N 3.15Å; H290-I293 PolarHBondContact O-N 3.02Å; H290-I293 VanDerWaalsContact O-N 3.09Å; H290-D294 WeakPolarHBondContact O-CB 3.35Å; H290-D294 PolarHBondContact O-N 3.28Å; H290-D382 IonicContact CD2-OD2 3.9Å; H290-D382 IonicContact CE1-OD2 3.17Å; H290-D382 IonicContact NE2-OD2 2.72Å; H290-D382 PolarHBondContact NE2-OD2 2.77Å
291E98.8Very high98.6Very high57 Ų5738.7 Ų38.727%0.26619%0.191SC..Hα-helixtrans-55.7-31.5168.3-65.8173.5-111.500111.7F285 N286 F287 H288 Y289 L295F285-E291 HydrophobicContact CB-CB 4.01Å; N286-E291 PolarHBondContact N-OE1 3.31Å; N286-E291 VanDerWaalsContact N-OE1 3.1Å; N286-E291 PolarHBondContact N-OE2 3.08Å; N286-E291 PolarHBondContact ND2-OE2 2.92Å; F287-E291 PolarHBondContact N-OE1 2.73Å; H288-E291 PolarHBondContact N-OE1 3.16Å; H288-E291 VanDerWaalsContact N-OE1 3.11Å; H288-E291 WeakPolarHBondContact O-CB 3.41Å; H288-E291 VanDerWaalsContact O-CG 3.32Å; H288-E291 WeakPolarHBondContact O-CG 3.18Å; H288-E291 PolarHBondContact O-N 3.01Å; Y289-E291 PolarHBondContact O-N 2.74Å; E291-L295 WeakPolarHBondContact O-CB 3.21Å; E291-L295 PolarHBondContact O-N 2.95Å
292V98.8Very high98.6Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-79.3-44.3175.4-170.20000111.1M283 F285 Y289 H290 D294 L295 I296 Y406M283-V292 HydrophobicContact CG-CB 4.49Å; M283-V292 HydrophobicContact CG-CG1 4.15Å; M283-V292 HydrophobicContact CG-CG2 3.89Å; M283-V292 HydrophobicContact SD-CG1 4.49Å; M283-V292 HydrophobicContact SD-CG2 4.26Å; F285-V292 HydrophobicContact CB-CG2 4.28Å; F285-V292 HydrophobicContact CD1-CG2 3.8Å; F285-V292 HydrophobicContact CG-CG2 4.4Å; Y289-V292 WeakPolarHBondContact O-CA 3.34Å; Y289-V292 VanDerWaalsContact O-CB 3.25Å; Y289-V292 WeakPolarHBondContact O-CB 3.33Å; Y289-V292 PolarHBondContact O-N 2.99Å; H290-V292 PolarHBondContact O-N 3.49Å; H290-V292 VanDerWaalsContact O-N 3.15Å; V292-D294 VanDerWaalsContact C-N 3.34Å; V292-D294 PolarHBondContact O-N 3.07Å; V292-L295 PolarHBondContact O-N 3.49Å; V292-I296 HydrophobicContact CG1-CD1 3.81Å; V292-I296 HydrophobicContact CG1-CG1 4.3Å; V292-I296 VanDerWaalsContact O-CG1 3.25Å; V292-I296 WeakPolarHBondContact O-CG1 3.3Å; V292-I296 PolarHBondContact O-N 3.42Å; V292-Y406 VanDerWaalsContact CG1-OH 3.31Å; V292-Y406 WeakPolarHBondContact CG1-OH 3.18Å
293I98.8Very high98.6Very high2 Ų241.4 Ų41.41%0.0120%0.203CC..Hα-helixtrans-58.9-47.2177-63.7-168.8000110.7Y289 H290 L295 I296 T297 V380 Y406 M408Y289-I293 HydrophobicContact CD2-CD1 4.19Å; Y289-I293 HydrophobicContact CD2-CG1 4.31Å; Y289-I293 HydrophobicContact CE2-CD1 3.74Å; Y289-I293 HydrophobicContact CE2-CG1 4.36Å; Y289-I293 PolarHBondContact O-N 3.14Å; H290-I293 PolarHBondContact O-N 3.02Å; H290-I293 VanDerWaalsContact O-N 3.09Å; I293-L295 VanDerWaalsContact C-N 3.33Å; I293-L295 PolarHBondContact O-N 2.92Å; I293-I296 PolarHBondContact O-N 3.33Å; I293-T297 HydrophobicContact CG2-CG2 4.07Å; I293-T297 WeakPolarHBondContact O-CB 3.22Å; I293-T297 WeakPolarHBondContact O-CG2 3.29Å; I293-T297 PolarHBondContact O-N 3.22Å; I293-T297 PolarHBondContact O-OG1 2.76Å; I293-V380 HydrophobicContact CD1-CG1 4.45Å; I293-V380 HydrophobicContact CG2-CG1 4.29Å; I293-V380 HydrophobicContact CG2-CG2 4.33Å; I293-Y406 HydrophobicContact CD1-CD1 3.56Å; I293-Y406 HydrophobicContact CD1-CD2 4.28Å; I293-Y406 HydrophobicContact CD1-CE1 4.12Å; I293-Y406 HydrophobicContact CD1-CG 3.65Å; I293-Y406 HydrophobicContact CG1-CD1 3.64Å; I293-Y406 HydrophobicContact CG1-CD2 4.09Å; I293-Y406 HydrophobicContact CG1-CE1 3.67Å; I293-Y406 HydrophobicContact CG1-CE2 4.12Å; I293-Y406 HydrophobicContact CG1-CG 3.86Å; I293-M408 HydrophobicContact CG2-CE 4.45Å
294D98.6Very high98.6Very high100 Ų10041.3 Ų41.354%0.53520%0.203SC..Hα-helixtrans-59-46.1179.8-68.4-20000110.5H290 V292 I296 T297 E298H290-D294 WeakPolarHBondContact O-CB 3.35Å; H290-D294 PolarHBondContact O-N 3.28Å; V292-D294 VanDerWaalsContact C-N 3.34Å; V292-D294 PolarHBondContact O-N 3.07Å; D294-I296 PolarHBondContact O-N 2.81Å; D294-T297 PolarHBondContact O-N 3.27Å; D294-T297 PolarHBondContact O-OG1 3.24Å; D294-E298 VanDerWaalsContact O-CB 3.23Å; D294-E298 WeakPolarHBondContact O-CB 3.4Å; D294-E298 PolarHBondContact O-N 2.84Å
295L98.5Very high98.6Very high14 Ų1443.7 Ų43.77%0.07321%0.21CC..Hα-helixtrans-63-44177.9-178.7129000112.8L200 K203 F205 L281 M283 E291 V292 I293 T299L200-L295 HydrophobicContact CD2-CD2 4.11Å; K203-L295 HydrophobicContact CB-CD1 4.48Å; K203-L295 HydrophobicContact CD-CD1 3.87Å; K203-L295 HydrophobicContact CD-CG 4.26Å; F205-L295 HydrophobicContact CE1-CD2 4.46Å; F205-L295 HydrophobicContact CE2-CD1 3.69Å; F205-L295 HydrophobicContact CE2-CD2 3.87Å; F205-L295 HydrophobicContact CE2-CG 4.41Å; F205-L295 HydrophobicContact CZ-CD1 4.04Å; F205-L295 HydrophobicContact CZ-CD2 3.5Å; F205-L295 HydrophobicContact CZ-CG 4.43Å; L281-L295 HydrophobicContact CD1-CD2 4.15Å; M283-L295 HydrophobicContact SD-CB 4.19Å; M283-L295 HydrophobicContact SD-CD1 3.92Å; M283-L295 HydrophobicContact SD-CD2 3.93Å; M283-L295 HydrophobicContact SD-CG 4.22Å; E291-L295 WeakPolarHBondContact O-CB 3.21Å; E291-L295 PolarHBondContact O-N 2.95Å; V292-L295 PolarHBondContact O-N 3.49Å; I293-L295 VanDerWaalsContact C-N 3.33Å; I293-L295 PolarHBondContact O-N 2.92Å; L295-T299 WeakPolarHBondContact O-CB 3.09Å; L295-T299 PolarHBondContact O-N 3.08Å; L295-T299 PolarHBondContact O-OG1 3.33Å
296I98.7Very high98.6Very high1 Ų145 Ų451%0.00522%0.218CC..Hα-helixtrans-67.8-45.4-180-64.9175.3000110.2L281 V292 I293 D294 T299 M300 Y406 M408 L416L281-I296 HydrophobicContact CD1-CD1 3.99Å; L281-I296 HydrophobicContact CD1-CG1 3.78Å; L281-I296 HydrophobicContact CD2-CD1 4.49Å; L281-I296 HydrophobicContact CD2-CG1 4Å; L281-I296 HydrophobicContact CG-CD1 4.48Å; L281-I296 HydrophobicContact CG-CG1 4.35Å; V292-I296 HydrophobicContact CG1-CD1 3.81Å; V292-I296 HydrophobicContact CG1-CG1 4.3Å; V292-I296 VanDerWaalsContact O-CG1 3.25Å; V292-I296 WeakPolarHBondContact O-CG1 3.3Å; V292-I296 PolarHBondContact O-N 3.42Å; I293-I296 PolarHBondContact O-N 3.33Å; D294-I296 PolarHBondContact O-N 2.81Å; I296-T299 WeakPolarHBondContact O-CB 3.41Å; I296-T299 PolarHBondContact O-N 3.14Å; I296-M300 HydrophobicContact CG2-CG 4.44Å; I296-M300 WeakPolarHBondContact O-CG 2.95Å; I296-M300 PolarHBondContact O-N 3.48Å; I296-Y406 HydrophobicContact CD1-CE2 4.02Å; I296-Y406 WeakPolarHBondContact CD1-OH 3.2Å; I296-M408 HydrophobicContact CB-CE 3.67Å; I296-M408 HydrophobicContact CG2-CE 3.31Å; I296-M408 HydrophobicContact CG2-SD 3.58Å; I296-M408 VanDerWaalsContact CG2-SD 3.58Å; I296-L416 HydrophobicContact CD1-CD1 4.29Å; I296-L416 HydrophobicContact CG2-CD1 3.44Å; I296-L416 VanDerWaalsContact CG2-CD1 3.44Å
297T98.6Very high98.6Very high13 Ų1339.7 Ų39.78%0.0819%0.189CC..Hα-helixtrans-64.4-41.6178.955.30000111.9I293 D294 T299 M300 V301 F378 V380 M408I293-T297 HydrophobicContact CG2-CG2 4.07Å; I293-T297 WeakPolarHBondContact O-CB 3.22Å; I293-T297 WeakPolarHBondContact O-CG2 3.29Å; I293-T297 PolarHBondContact O-N 3.22Å; I293-T297 PolarHBondContact O-OG1 2.76Å; D294-T297 PolarHBondContact O-N 3.27Å; D294-T297 PolarHBondContact O-OG1 3.24Å; T297-T299 VanDerWaalsContact C-N 3.34Å; T297-T299 PolarHBondContact O-N 3.39Å; T297-M300 PolarHBondContact O-N 3.44Å; T297-V301 WeakPolarHBondContact O-CB 3.47Å; T297-V301 VanDerWaalsContact O-CG2 3.29Å; T297-V301 WeakPolarHBondContact O-CG2 3.35Å; T297-V301 PolarHBondContact O-N 3.28Å; T297-F378 HydrophobicContact CG2-CE1 4.37Å; T297-F378 HydrophobicContact CG2-CZ 4.48Å; T297-V380 HydrophobicContact CG2-CG2 3.43Å; T297-V380 VanDerWaalsContact CG2-CG2 3.43Å; T297-M408 HydrophobicContact CG2-CE 3.6Å; T297-M408 HydrophobicContact CG2-SD 4.16Å
298E98.3Very high98.6Very high111 Ų11134.3 Ų34.352%0.51917%0.167SC..Hα-helixtrans-59-45.2172.7-174.5-174.9-166.700111.2K203 D294 M300 V301 E302K203-E298 VanDerWaalsContact CE-OE2 3.3Å; K203-E298 WeakPolarHBondContact CE-OE2 3.46Å; D294-E298 VanDerWaalsContact O-CB 3.23Å; D294-E298 WeakPolarHBondContact O-CB 3.4Å; D294-E298 PolarHBondContact O-N 2.84Å; E298-M300 PolarHBondContact O-N 3.05Å; E298-V301 PolarHBondContact O-N 3Å; E298-E302 WeakPolarHBondContact O-CB 3.32Å; E298-E302 PolarHBondContact O-N 3.34Å
299T98.6Very high98.5Very high1 Ų136.9 Ų36.91%0.00618%0.179CC..Hα-helixtrans-61.9-44177.8-60.60000111.9F196 A199 L200 L295 I296 T297 E302 I303F196-T299 HydrophobicContact CD2-CG2 4.22Å; A199-T299 HydrophobicContact CB-CG2 3.87Å; L200-T299 HydrophobicContact CD2-CG2 4.1Å; L200-T299 HydrophobicContact CG-CG2 4.32Å; L295-T299 WeakPolarHBondContact O-CB 3.09Å; L295-T299 PolarHBondContact O-N 3.08Å; L295-T299 PolarHBondContact O-OG1 3.33Å; I296-T299 WeakPolarHBondContact O-CB 3.41Å; I296-T299 PolarHBondContact O-N 3.14Å; T297-T299 VanDerWaalsContact C-N 3.34Å; T297-T299 PolarHBondContact O-N 3.39Å; T299-E302 PolarHBondContact O-N 3.27Å; T299-I303 HydrophobicContact CG2-CD1 4.24Å; T299-I303 VanDerWaalsContact O-CG1 3.3Å; T299-I303 WeakPolarHBondContact O-CG1 3.34Å; T299-I303 PolarHBondContact O-N 3.3Å
300M98.7Very high98.5Very high2 Ų240.9 Ų40.91%0.0120%0.2CC..Hα-helixtrans-64.6-43.9177.6-69.5-56.2-59.900111.7I296 T297 E298 E302 I303 F304 F378 I415 I461 V466I296-M300 HydrophobicContact CG2-CG 4.44Å; I296-M300 WeakPolarHBondContact O-CG 2.95Å; I296-M300 PolarHBondContact O-N 3.48Å; T297-M300 PolarHBondContact O-N 3.44Å; E298-M300 PolarHBondContact O-N 3.05Å; M300-E302 PolarHBondContact O-N 3.22Å; M300-I303 WeakPolarHBondContact O-CB 3.36Å; M300-I303 PolarHBondContact O-N 3.2Å; M300-I303 HydrophobicContact SD-CD1 4.28Å; M300-F304 HydrophobicContact CB-CE2 3.93Å; M300-F304 HydrophobicContact CB-CZ 4.02Å; M300-F304 HydrophobicContact CE-CE1 3.69Å; M300-F304 HydrophobicContact CE-CE2 4.45Å; M300-F304 HydrophobicContact CE-CZ 3.45Å; M300-F304 VanDerWaalsContact CE-CZ 3.45Å; M300-F304 WeakPolarHBondContact O-CD1 3.46Å; M300-F304 WeakPolarHBondContact O-CD2 3.42Å; M300-F304 WeakPolarHBondContact O-CG 3.47Å; M300-F304 PolarHBondContact O-N 3.43Å; M300-F378 HydrophobicContact CB-CE1 4.11Å; M300-F378 HydrophobicContact CB-CE2 4.35Å; M300-F378 HydrophobicContact CB-CZ 3.72Å; M300-F378 HydrophobicContact CG-CE2 4.47Å; M300-F378 HydrophobicContact CG-CZ 4.01Å; M300-I415 HydrophobicContact CE-CD1 3.68Å; M300-I461 HydrophobicContact SD-CD1 3.71Å; M300-V466 HydrophobicContact CE-CG1 4.24Å; M300-V466 HydrophobicContact CE-CG2 4.16Å
301V98.6Very high98.4Very high11 Ų1138 Ų387%0.06719%0.187CC..Hα-helixtrans-60.9-44.2175.9166.20000111.3T297 E298 I303 F304 E305 F329 K331 S333T297-V301 WeakPolarHBondContact O-CB 3.47Å; T297-V301 VanDerWaalsContact O-CG2 3.29Å; T297-V301 WeakPolarHBondContact O-CG2 3.35Å; T297-V301 PolarHBondContact O-N 3.28Å; E298-V301 PolarHBondContact O-N 3Å; V301-I303 VanDerWaalsContact C-N 3.31Å; V301-I303 PolarHBondContact O-N 3.22Å; V301-F304 PolarHBondContact O-N 3.12Å; V301-F304 VanDerWaalsContact O-N 3.15Å; V301-E305 WeakPolarHBondContact O-CG 3.38Å; V301-E305 PolarHBondContact O-N 2.89Å; V301-F329 HydrophobicContact CB-CD2 4.49Å; V301-F329 HydrophobicContact CG1-CD2 4Å; V301-F329 HydrophobicContact CG1-CE2 3.88Å; V301-F329 HydrophobicContact CG2-CD2 4.08Å; V301-K331 HydrophobicContact CG1-CD 4.18Å; V301-K331 HydrophobicContact CG1-CG 3.96Å; V301-S333 WeakPolarHBondContact CG2-OG 3.32Å
302E98.3Very high98.3Very high56 Ų5638.5 Ų38.526%0.26220%0.197SC..Hα-helixtrans-58.7-42.7175.7-171.8-178.5152.800111.2A199 K203 E298 T299 M300 N306A199-E302 HydrophobicContact CB-CG 4.5Å; A199-E302 WeakPolarHBondContact CB-OE2 3.26Å; K203-E302 IonicContact NZ-OE2 3.8Å; K203-E302 PolarHBondContact NZ-OE2 3Å; E298-E302 WeakPolarHBondContact O-CB 3.32Å; E298-E302 PolarHBondContact O-N 3.34Å; T299-E302 PolarHBondContact O-N 3.27Å; M300-E302 PolarHBondContact O-N 3.22Å; E302-N306 WeakPolarHBondContact O-CB 3.43Å; E302-N306 PolarHBondContact O-N 3.11Å; E302-N306 PolarHBondContact O-ND2 3.43Å
303I98.7Very high98Very high1 Ų142.6 Ų42.61%0.00522%0.222CC..Hα-helixtrans-61-48.4174.1-66.9163.1000110.7I192 F196 T299 M300 V301 E305 N306 L307I192-I303 HydrophobicContact CG1-CG2 4.28Å; I192-I303 HydrophobicContact CG2-CG2 4.46Å; F196-I303 HydrophobicContact CB-CD1 3.9Å; F196-I303 HydrophobicContact CD2-CD1 4.14Å; T299-I303 HydrophobicContact CG2-CD1 4.24Å; T299-I303 VanDerWaalsContact O-CG1 3.3Å; T299-I303 WeakPolarHBondContact O-CG1 3.34Å; T299-I303 PolarHBondContact O-N 3.3Å; M300-I303 WeakPolarHBondContact O-CB 3.36Å; M300-I303 PolarHBondContact O-N 3.2Å; M300-I303 HydrophobicContact SD-CD1 4.28Å; V301-I303 VanDerWaalsContact C-N 3.31Å; V301-I303 PolarHBondContact O-N 3.22Å; I303-E305 PolarHBondContact O-N 3.47Å; I303-N306 PolarHBondContact O-N 3.28Å; I303-L307 HydrophobicContact CG2-CD1 3.92Å; I303-L307 HydrophobicContact CG2-CG 4.32Å; I303-L307 WeakPolarHBondContact O-CB 3.48Å; I303-L307 VanDerWaalsContact O-CG 3.26Å; I303-L307 WeakPolarHBondContact O-CG 3.31Å; I303-L307 PolarHBondContact O-N 3.3Å
304F98.7Very high97.9Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-62.3-42.6-177.1-56.7-33.9000112.2M300 V301 L307 Q308 F327 F329 F378 M410 F470M300-F304 HydrophobicContact CB-CE2 3.93Å; M300-F304 HydrophobicContact CB-CZ 4.02Å; M300-F304 HydrophobicContact CE-CE1 3.69Å; M300-F304 HydrophobicContact CE-CE2 4.45Å; M300-F304 HydrophobicContact CE-CZ 3.45Å; M300-F304 VanDerWaalsContact CE-CZ 3.45Å; M300-F304 WeakPolarHBondContact O-CD1 3.46Å; M300-F304 WeakPolarHBondContact O-CD2 3.42Å; M300-F304 WeakPolarHBondContact O-CG 3.47Å; M300-F304 PolarHBondContact O-N 3.43Å; V301-F304 PolarHBondContact O-N 3.12Å; V301-F304 VanDerWaalsContact O-N 3.15Å; F304-L307 PolarHBondContact O-N 3.31Å; F304-Q308 WeakPolarHBondContact O-CG 3.44Å; F304-Q308 PolarHBondContact O-N 2.92Å; F304-F327 HydrophobicContact CD1-CE1 4.27Å; F304-F327 HydrophobicContact CD2-CD1 4.49Å; F304-F327 AromaticContact CD2-CE1 3.89Å; F304-F327 HydrophobicContact CD2-CE1 3.89Å; F304-F327 HydrophobicContact CE1-CE1 4.2Å; F304-F327 AromaticContact CE2-CE1 3.82Å; F304-F327 HydrophobicContact CE2-CE1 3.82Å; F304-F327 HydrophobicContact CE2-CZ 4.46Å; F304-F327 HydrophobicContact CG-CD1 4.37Å; F304-F327 HydrophobicContact CG-CE1 4.13Å; F304-F327 AromaticContact CZ-CE1 3.97Å; F304-F327 HydrophobicContact CZ-CE1 3.97Å; F304-F327 HydrophobicContact CZ-CZ 4.34Å; F304-F329 HydrophobicContact CB-CD1 3.72Å; F304-F329 HydrophobicContact CB-CE1 3.42Å; F304-F329 VanDerWaalsContact CB-CE1 3.42Å; F304-F329 HydrophobicContact CB-CG 4.44Å; F304-F329 HydrophobicContact CB-CZ 3.92Å; F304-F329 HydrophobicContact CD2-CB 4.24Å; F304-F329 AromaticContact CD2-CD1 3.87Å; F304-F329 HydrophobicContact CD2-CD1 3.87Å; F304-F329 HydrophobicContact CD2-CE1 4.43Å; F304-F329 AromaticContact CD2-CG 4Å; F304-F329 HydrophobicContact CD2-CG 4Å; F304-F329 HydrophobicContact CG-CD1 4.16Å; F304-F329 HydrophobicContact CG-CE1 4.34Å; F304-F378 HydrophobicContact CE2-CB 4.22Å; F304-F378 AromaticContact CE2-CD1 3.91Å; F304-F378 HydrophobicContact CE2-CD1 3.91Å; F304-F378 AromaticContact CE2-CD2 3.96Å; F304-F378 HydrophobicContact CE2-CD2 3.96Å; F304-F378 HydrophobicContact CE2-CE1 4.24Å; F304-F378 HydrophobicContact CE2-CE2 4.29Å; F304-F378 AromaticContact CE2-CG 3.76Å; F304-F378 HydrophobicContact CE2-CG 3.76Å; F304-F378 HydrophobicContact CE2-CZ 4.42Å; F304-F378 HydrophobicContact CZ-CD2 4.14Å; F304-F378 HydrophobicContact CZ-CE2 4.36Å; F304-F378 HydrophobicContact CZ-CG 4.38Å; F304-M410 HydrophobicContact CE1-CE 3.65Å; F304-M410 HydrophobicContact CE1-SD 4.04Å; F304-M410 HydrophobicContact CZ-CE 3.93Å; F304-M410 HydrophobicContact CZ-CG 4.44Å; F304-M410 HydrophobicContact CZ-SD 3.93Å; F304-F470 HydrophobicContact CB-CE2 4.36Å; F304-F470 AromaticContact CD1-CD2 3.95Å; F304-F470 HydrophobicContact CD1-CD2 3.95Å; F304-F470 HydrophobicContact CD1-CE2 4.13Å; F304-F470 HydrophobicContact CE1-CD2 4.47Å
305E98.2Very high97.9Very high73 Ų7340.5 Ų40.534%0.34121%0.21SC..Hα-helixtrans-63.1-49.5175.9-73.1-172.3122.600112.2V301 I303 L307 Q308 E309 F329 K331V301-E305 WeakPolarHBondContact O-CG 3.38Å; V301-E305 PolarHBondContact O-N 2.89Å; I303-E305 PolarHBondContact O-N 3.47Å; E305-L307 PolarHBondContact O-N 3.22Å; E305-Q308 PolarHBondContact O-N 2.93Å; E305-Q308 VanDerWaalsContact O-N 3.1Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 3.42Å; E305-F329 HydrophobicContact CG-CE2 3.76Å; E305-F329 HydrophobicContact CG-CZ 3.54Å; E305-K331 WeakPolarHBondContact OE1-CE 3.41Å; E305-K331 IonicContact OE1-NZ 3.7Å; E305-K331 PolarHBondContact OE1-NZ 2.92Å; E305-K331 VanDerWaalsContact OE2-CE 3.29Å; E305-K331 WeakPolarHBondContact OE2-CE 3.49Å; E305-K331 IonicContact OE2-NZ 3.44Å; E305-K331 PolarHBondContact OE2-NZ 2.77Å
306N98.5Very high97.8Very high41 Ų4143.5 Ų43.522%0.21922%0.223CC..Hα-helixtrans-61.7-35-179.9-83.9-80.5000111.8Y195 E302 I303 N310Y195-N306 HydrophobicContact CD1-CB 4Å; Y195-N306 HydrophobicContact CD2-CB 3.57Å; Y195-N306 HydrophobicContact CE1-CB 3.94Å; Y195-N306 HydrophobicContact CE2-CB 3.5Å; Y195-N306 HydrophobicContact CG-CB 3.85Å; E302-N306 WeakPolarHBondContact O-CB 3.43Å; E302-N306 PolarHBondContact O-N 3.11Å; E302-N306 PolarHBondContact O-ND2 3.43Å; I303-N306 PolarHBondContact O-N 3.28Å; N306-N310 VanDerWaalsContact O-CB 3.24Å; N306-N310 WeakPolarHBondContact O-CB 3.37Å; N306-N310 PolarHBondContact O-N 3.42Å; N306-N310 PolarHBondContact O-ND2 3.12Å
307L98.7Very high97.6Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-66-46.7172.6-72.4174.3000112.2I188 K191 I192 Y195 I303 F304 E305 E309 C311 I315 F470I188-L307 HydrophobicContact CG2-CD2 4.05Å; K191-L307 HydrophobicContact CB-CD2 3.95Å; I192-L307 HydrophobicContact CD1-CD1 4.31Å; I192-L307 HydrophobicContact CG1-CD1 3.77Å; I192-L307 HydrophobicContact CG1-CD2 4.25Å; Y195-L307 HydrophobicContact CD2-CD2 4.21Å; Y195-L307 HydrophobicContact CD2-CG 4.25Å; Y195-L307 HydrophobicContact CE2-CD2 3.98Å; Y195-L307 HydrophobicContact CE2-CG 4.28Å; I303-L307 HydrophobicContact CG2-CD1 3.92Å; I303-L307 HydrophobicContact CG2-CG 4.32Å; I303-L307 WeakPolarHBondContact O-CB 3.48Å; I303-L307 VanDerWaalsContact O-CG 3.26Å; I303-L307 WeakPolarHBondContact O-CG 3.31Å; I303-L307 PolarHBondContact O-N 3.3Å; F304-L307 PolarHBondContact O-N 3.31Å; E305-L307 PolarHBondContact O-N 3.22Å; L307-E309 VanDerWaalsContact C-N 3.31Å; L307-E309 PolarHBondContact O-N 3.23Å; L307-C311 HydrophobicContact CD2-CB 4.41Å; L307-C311 WeakPolarHBondContact O-CA 3.34Å; L307-C311 VanDerWaalsContact O-CB 3.24Å; L307-C311 WeakPolarHBondContact O-CB 3.41Å; L307-C311 PolarHBondContact O-N 3.44Å; L307-I315 WeakPolarHBondContact O-CD1 3.33Å; L307-F470 HydrophobicContact CB-CE1 3.95Å; L307-F470 HydrophobicContact CB-CE2 4.32Å; L307-F470 HydrophobicContact CB-CZ 3.59Å; L307-F470 HydrophobicContact CD1-CD1 4.07Å; L307-F470 HydrophobicContact CD1-CD2 4.26Å; L307-F470 HydrophobicContact CD1-CE1 3.83Å; L307-F470 HydrophobicContact CD1-CE2 4.03Å; L307-F470 HydrophobicContact CD1-CG 4.28Å; L307-F470 HydrophobicContact CD1-CZ 3.81Å; L307-F470 HydrophobicContact CG-CE1 4.49Å; L307-F470 HydrophobicContact CG-CZ 4.38Å
308Q97.8Very high97.6Very high81 Ų8144.2 Ų44.238%0.37923%0.227SC..Hα-helixtrans-63.8-37.2180-74-178-500112.4F304 E305 F327 F470F304-Q308 WeakPolarHBondContact O-CG 3.44Å; F304-Q308 PolarHBondContact O-N 2.92Å; E305-Q308 PolarHBondContact O-N 2.93Å; E305-Q308 VanDerWaalsContact O-N 3.1Å; Q308-F327 PolarHBondContact NE2-O 3.45Å; Q308-F470 HydrophobicContact CG-CZ 4.2Å
309E97.6Very high97.5Very high143 Ų14342.2 Ų42.267%0.66822%0.215SC*.Hα-helixtrans-75.1-48.6178.7-174.2175.4-169.900112.1E305 L307E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 3.42Å; L307-E309 VanDerWaalsContact C-N 3.31Å; L307-E309 PolarHBondContact O-N 3.23Å
310N98.1Very high97.3Very high87 Ų8748.8 Ų48.847%0.46524%0.244SC..Hα-helixtrans-103.9-11.5-164.9-58.6-69.5000114.9Y195 N306Y195-N310 WeakPolarHBondContact OH-CB 3.22Å; N306-N310 VanDerWaalsContact O-CB 3.24Å; N306-N310 WeakPolarHBondContact O-CB 3.37Å; N306-N310 PolarHBondContact O-N 3.42Å; N306-N310 PolarHBondContact O-ND2 3.12Å
311C97.7Very high97.2Very high4 Ų449 Ų493%0.02724%0.244CC..  trans-118.224.2-176.8-54.80000112.7I188 L307 V313 E314 I315I188-C311 HydrophobicContact CG1-CB 4.19Å; L307-C311 HydrophobicContact CD2-CB 4.41Å; L307-C311 WeakPolarHBondContact O-CA 3.34Å; L307-C311 VanDerWaalsContact O-CB 3.24Å; L307-C311 WeakPolarHBondContact O-CB 3.41Å; L307-C311 PolarHBondContact O-N 3.44Å; C311-V313 VanDerWaalsContact C-N 3.3Å; C311-V313 PolarHBondContact O-N 2.89Å; C311-E314 PolarHBondContact O-N 2.85Å; C311-I315 HydrophobicContact CB-CD1 4.27Å; C311-I315 HydrophobicContact CB-CG1 4.44Å; C311-I315 WeakPolarHBondContact O-CB 3.33Å; C311-I315 VanDerWaalsContact O-CG1 3.22Å; C311-I315 WeakPolarHBondContact O-CG1 3.4Å; C311-I315 PolarHBondContact O-N 2.8Å
312S95.4Very high97.1Very high68 Ų6849.5 Ų49.548%0.47625%0.245SC..Hα-helixtrans-58.9-37.7-175.2580000113.3E316S312-E316 VanDerWaalsContact O-CB 3.31Å; S312-E316 WeakPolarHBondContact O-CB 3.46Å; S312-E316 PolarHBondContact O-N 3.32Å
313V93.1Very high97.1Very high85 Ų8550.1 Ų50.152%0.51526%0.255SS..Hα-helixtrans-65.4-47.4177.5176.10000111.2C311 T317C311-V313 VanDerWaalsContact C-N 3.3Å; C311-V313 PolarHBondContact O-N 2.89Å; V313-T317 WeakPolarHBondContact O-CB 3.36Å; V313-T317 PolarHBondContact O-N 3.34Å; V313-T317 PolarHBondContact O-OG1 2.91Å
314E96.6Very high96.9Very high38 Ų3851.4 Ų51.418%0.17826%0.264CS..Hα-helixtrans-64.6-44.8176.6-7376.1-172.700111.4A184 R187 I188 C311 E316 T317 V318A184-E314 HydrophobicContact CB-CB 3.83Å; A184-E314 HydrophobicContact CB-CG 4.05Å; A184-E314 WeakPolarHBondContact CB-O 3.34Å; R187-E314 HydrophobicContact CB-CG 4.05Å; I188-E314 HydrophobicContact CD1-CB 3.63Å; I188-E314 HydrophobicContact CG1-CB 3.68Å; I188-E314 HydrophobicContact CG1-CG 4.47Å; C311-E314 PolarHBondContact O-N 2.85Å; E314-E316 VanDerWaalsContact C-N 3.32Å; E314-E316 PolarHBondContact O-N 3.25Å; E314-T317 WeakPolarHBondContact O-CB 3.41Å; E314-T317 PolarHBondContact O-N 3.43Å; E314-T317 VanDerWaalsContact O-N 3.16Å; E314-V318 WeakPolarHBondContact O-CG2 3.45Å; E314-V318 PolarHBondContact O-N 3.06Å
315I98.2Very high96.8Very high21 Ų2158.3 Ų58.311%0.10830%0.296CS..Hα-helixtrans-58.2-47.3178.1-70.4164.9000110I188 L307 C311 T317 V318 R319 F470 L471I188-I315 HydrophobicContact CD1-CG1 3.91Å; L307-I315 WeakPolarHBondContact O-CD1 3.33Å; C311-I315 HydrophobicContact CB-CD1 4.27Å; C311-I315 HydrophobicContact CB-CG1 4.44Å; C311-I315 WeakPolarHBondContact O-CB 3.33Å; C311-I315 VanDerWaalsContact O-CG1 3.22Å; C311-I315 WeakPolarHBondContact O-CG1 3.4Å; C311-I315 PolarHBondContact O-N 2.8Å; I315-T317 VanDerWaalsContact C-N 3.33Å; I315-T317 PolarHBondContact O-N 2.69Å; I315-V318 PolarHBondContact O-N 3.03Å; I315-R319 WeakPolarHBondContact O-CB 3.49Å; I315-R319 PolarHBondContact O-N 3.4Å; I315-F470 HydrophobicContact CD1-CE1 3.84Å; I315-F470 HydrophobicContact CD1-CZ 4.17Å; I315-F470 HydrophobicContact CG1-CE1 4.15Å; I315-L471 HydrophobicContact CG1-CD2 4.34Å
316E96Very high96.8Very high77 Ų7758.1 Ų58.136%0.3630%0.301SS..Hα-helixtrans-67.5-35178.7-173.754.3-147.400112S312 E314 V318 R319 K320S312-E316 VanDerWaalsContact O-CB 3.31Å; S312-E316 WeakPolarHBondContact O-CB 3.46Å; S312-E316 PolarHBondContact O-N 3.32Å; E314-E316 VanDerWaalsContact C-N 3.32Å; E314-E316 PolarHBondContact O-N 3.25Å; E316-V318 VanDerWaalsContact C-N 3.32Å; E316-V318 PolarHBondContact O-N 3.47Å; E316-R319 PolarHBondContact O-N 3.48Å; E316-R319 IonicContact OE2-CZ 2.82Å; E316-R319 IonicContact OE2-NH1 3.48Å; E316-R319 PolarHBondContact OE2-NH1 3Å; E316-K320 WeakPolarHBondContact O-CG 3.29Å; E316-K320 PolarHBondContact O-N 3.48Å
317T95.3Very high96.8Very high27 Ų2756.5 Ų56.517%0.16629%0.292CS..Hα-helixtrans-61.7-41.9173.9-60.40000111.4P180 A184 V313 E314 I315P180-T317 HydrophobicContact CB-CG2 3.75Å; A184-T317 HydrophobicContact CB-CG2 3.99Å; V313-T317 WeakPolarHBondContact O-CB 3.36Å; V313-T317 PolarHBondContact O-N 3.34Å; V313-T317 PolarHBondContact O-OG1 2.91Å; E314-T317 WeakPolarHBondContact O-CB 3.41Å; E314-T317 PolarHBondContact O-N 3.43Å; E314-T317 VanDerWaalsContact O-N 3.16Å; I315-T317 VanDerWaalsContact C-N 3.33Å; I315-T317 PolarHBondContact O-N 2.69Å
318V97.8Very high96.7Very high1 Ų158.7 Ų58.71%0.00631%0.305CS..Hα-helixtrans-67.4-45.6174.4179.10000110.8T181 A184 I185 I188 E314 I315 E316 K320 Q321 Y322 L471 L473T181-V318 HydrophobicContact CG2-CB 4.49Å; T181-V318 HydrophobicContact CG2-CG1 4.33Å; T181-V318 HydrophobicContact CG2-CG2 4.31Å; A184-V318 HydrophobicContact CB-CG2 3.74Å; I185-V318 HydrophobicContact CG1-CG1 4.39Å; I185-V318 HydrophobicContact CG1-CG2 3.71Å; I188-V318 HydrophobicContact CD1-CG2 4.49Å; E314-V318 WeakPolarHBondContact O-CG2 3.45Å; E314-V318 PolarHBondContact O-N 3.06Å; I315-V318 PolarHBondContact O-N 3.03Å; E316-V318 VanDerWaalsContact C-N 3.32Å; E316-V318 PolarHBondContact O-N 3.47Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 3.09Å; V318-Q321 PolarHBondContact O-N 2.87Å; V318-Y322 HydrophobicContact CG1-CD2 4.35Å; V318-Y322 PolarHBondContact O-N 3.14Å; V318-L471 HydrophobicContact CG1-CB 4.32Å; V318-L471 HydrophobicContact CG1-CD1 4.34Å; V318-L471 HydrophobicContact CG2-CD1 4.35Å; V318-L473 HydrophobicContact CG1-CD2 4.04Å
319R97.1Very high96.8Very high69 Ų6956.6 Ų56.626%0.2630%0.295SS..Hα-helixtrans-58.3-36.5-178.8-171.7-179-69.3127.5-0.6112.8I315 E316 Q321 Y322 P323 S324I315-R319 WeakPolarHBondContact O-CB 3.49Å; I315-R319 PolarHBondContact O-N 3.4Å; E316-R319 PolarHBondContact O-N 3.48Å; E316-R319 IonicContact OE2-CZ 2.82Å; E316-R319 IonicContact OE2-NH1 3.48Å; E316-R319 PolarHBondContact OE2-NH1 3Å; R319-Q321 PolarHBondContact O-N 2.69Å; R319-Y322 WeakPolarHBondContact CA-O 3.47Å; R319-Y322 CarbonylContact O-C 3.54Å; R319-Y322 VanDerWaalsContact O-C 3.24Å; R319-Y322 PolarHBondContact O-N 2.82Å; R319-P323 WeakPolarHBondContact O-CA 3.41Å; R319-P323 VanDerWaalsContact O-N 3.16Å; R319-S324 PolarHBondContact NE-O 3.42Å; R319-S324 VanDerWaalsContact NE-O 3.17Å
320K94.9Very high96.8Very high139 Ų13952.7 Ų52.760%0.60428%0.278SS*.Hα-helixtrans-59-32.7175-77.9173.1-177.8175.20113.4P154 E316 V318P154-K320 WeakPolarHBondContact CG-O 3.36Å; E316-K320 WeakPolarHBondContact O-CG 3.29Å; E316-K320 PolarHBondContact O-N 3.48Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 3.09Å
321Q95.7Very high96.8Very high6 Ų654.5 Ų54.53%0.02828%0.282CS..Hα-helixtrans-94.5-35.8176.9-174.5169.812.100112.7A151 R153 P154 V155 T181 V318 R319A151-Q321 PolarHBondContact O-NE2 2.82Å; R153-Q321 WeakPolarHBondContact O-CG 3.23Å; R153-Q321 PolarHBondContact O-NE2 3.49Å; R153-Q321 VanDerWaalsContact O-NE2 3.08Å; P154-Q321 WeakPolarHBondContact CA-O 3.47Å; V155-Q321 PolarHBondContact N-O 3.15Å; T181-Q321 HydrophobicContact CG2-CB 4.15Å; T181-Q321 WeakPolarHBondContact OG1-CB 3.44Å; T181-Q321 PolarHBondContact OG1-OE1 2.81Å; V318-Q321 PolarHBondContact O-N 2.87Å; R319-Q321 PolarHBondContact O-N 2.69Å
322Y97.1Very high96.7Very high22 Ų2260.1 Ų60.19%0.08632%0.318CS..SBendtrans-125.985.6-178.4-63.3-81000109.1V155 R169 T181 V318 R319 S324 L473 L478V155-Y322 HydrophobicContact CG1-CD1 3.63Å; V155-Y322 HydrophobicContact CG1-CE1 3.37Å; V155-Y322 HydrophobicContact CG2-CD1 4.14Å; R169-Y322 PolarHBondContact NH1-OH 3.28Å; T181-Y322 HydrophobicContact CG2-CD2 3.77Å; T181-Y322 HydrophobicContact CG2-CE2 3.67Å; V318-Y322 HydrophobicContact CG1-CD2 4.35Å; V318-Y322 PolarHBondContact O-N 3.14Å; R319-Y322 WeakPolarHBondContact CA-O 3.47Å; R319-Y322 CarbonylContact O-C 3.54Å; R319-Y322 VanDerWaalsContact O-C 3.24Å; R319-Y322 PolarHBondContact O-N 2.82Å; Y322-S324 PolarHBondContact O-N 2.96Å; Y322-L473 HydrophobicContact CD1-CD2 4.08Å; Y322-L473 HydrophobicContact CD2-CD2 3.71Å; Y322-L473 HydrophobicContact CE2-CD2 4.33Å; Y322-L473 HydrophobicContact CG-CD2 3.56Å; Y322-L478 HydrophobicContact CE1-CD1 4.04Å
323P97Very high96.9Very high70 Ų7057.6 Ų57.646%0.45530%0.301SS..  trans-57.2128-178.9-25.834.6000111.5D156 R319D156-P323 WeakPolarHBondContact OD2-CG 3.47Å; R319-P323 WeakPolarHBondContact O-CA 3.41Å; R319-P323 VanDerWaalsContact O-N 3.16Å
324S96.3Very high97.1Very high28 Ų2854.8 Ų54.820%0.19628%0.283CS..  trans-150.9143177.665.70000111.2R319 Y322 L471R319-S324 PolarHBondContact NE-O 3.42Å; R319-S324 VanDerWaalsContact NE-O 3.17Å; Y322-S324 PolarHBondContact O-N 2.96Å; S324-L471 WeakPolarHBondContact CB-O 3.32Å; S324-L471 PolarHBondContact OG-O 3.33Å
325E95.9Very high97.2Very high144 Ų14455.9 Ų55.967%0.67329%0.292SS*.PPolyproline II helixtrans-62.1142.9172.7-69.9-61.4147.800110.6F327 R411E325-F327 PolarHBondContact O-N 3.4Å; E325-R411 PolarHBondContact O-NH2 3.03Å
326P97.1Very high97.2Very high69 Ų6955.2 Ų55.245%0.44829%0.289SS..PPolyproline II helixtrans-51137.7172.8-25.934.8000112.3
327F98.5Very high97.4Very high8 Ų852.7 Ų52.74%0.03528%0.28CS..PPolyproline II helixtrans-69.5133.8177.4-170-97.2000110.4F304 Q308 E325 F329 D377 F378 M410 R411 F470F304-F327 HydrophobicContact CD1-CE1 4.27Å; F304-F327 HydrophobicContact CD2-CD1 4.49Å; F304-F327 AromaticContact CD2-CE1 3.89Å; F304-F327 HydrophobicContact CD2-CE1 3.89Å; F304-F327 HydrophobicContact CE1-CE1 4.2Å; F304-F327 AromaticContact CE2-CE1 3.82Å; F304-F327 HydrophobicContact CE2-CE1 3.82Å; F304-F327 HydrophobicContact CE2-CZ 4.46Å; F304-F327 HydrophobicContact CG-CD1 4.37Å; F304-F327 HydrophobicContact CG-CE1 4.13Å; F304-F327 AromaticContact CZ-CE1 3.97Å; F304-F327 HydrophobicContact CZ-CE1 3.97Å; F304-F327 HydrophobicContact CZ-CZ 4.34Å; Q308-F327 PolarHBondContact NE2-O 3.45Å; E325-F327 PolarHBondContact O-N 3.4Å; F327-F329 HydrophobicContact CD1-CD1 4.06Å; F327-F329 HydrophobicContact CE1-CD1 4.28Å; F327-D377 HydrophobicContact CD2-CB 3.79Å; F327-D377 HydrophobicContact CE2-CB 3.43Å; F327-D377 VanDerWaalsContact CE2-CB 3.43Å; F327-D377 HydrophobicContact CG-CB 4.48Å; F327-D377 HydrophobicContact CZ-CB 3.85Å; F327-F378 HydrophobicContact CE1-CB 4.1Å; F327-F378 HydrophobicContact CZ-CB 3.93Å; F327-M410 HydrophobicContact CD2-CE 4.2Å; F327-M410 HydrophobicContact CE1-CE 4.02Å; F327-M410 HydrophobicContact CE2-CB 4.04Å; F327-M410 HydrophobicContact CE2-CE 3.54Å; F327-M410 HydrophobicContact CE2-CG 4.23Å; F327-M410 HydrophobicContact CZ-CB 4.14Å; F327-M410 HydrophobicContact CZ-CE 3.45Å; F327-M410 VanDerWaalsContact CZ-CE 3.45Å; F327-M410 HydrophobicContact CZ-CG 3.86Å; F327-M410 HydrophobicContact CZ-SD 4.41Å; F327-R411 HydrophobicContact CD2-CG 4.28Å; F327-R411 HydrophobicContact CE2-CG 4.08Å; F327-F470 HydrophobicContact CB-CD2 3.99Å; F327-F470 HydrophobicContact CB-CE2 4.06Å; F327-F470 AromaticContact CD1-CD2 3.95Å; F327-F470 HydrophobicContact CD1-CD2 3.95Å; F327-F470 HydrophobicContact CD1-CE2 4.18Å; F327-F470 AromaticContact CG-CD2 3.92Å; F327-F470 HydrophobicContact CG-CD2 3.92Å; F327-F470 HydrophobicContact CG-CE2 4.31Å
328T98.4Very high97.5Very high46 Ų4651.5 Ų51.528%0.28227%0.272SS..  trans-119.9141.7-177.259.50000111.5K371 K375 T376 D377T328-K371 PolarHBondContact OG1-NZ 2.84Å; T328-K375 PolarHBondContact OG1-O 2.9Å; T328-T376 PolarHBondContact O-OG1 2.69Å; T328-D377 PolarHBondContact N-OD2 3.46Å; T328-D377 WeakPolarHBondContact O-CA 3.36Å; T328-D377 WeakPolarHBondContact O-CB 3.24Å; T328-D377 PolarHBondContact O-N 3.46Å; T328-D377 PolarHBondContact OG1-N 2.75Å; T328-D377 PolarHBondContact OG1-OD2 3.07Å
329F98.5Very high97.5Very high36 Ų3653.9 Ų53.916%0.15829%0.287CS..  trans-144.9157.8178.952.6-88.2000109.6V301 F304 E305 F327 T376 F378V301-F329 HydrophobicContact CB-CD2 4.49Å; V301-F329 HydrophobicContact CG1-CD2 4Å; V301-F329 HydrophobicContact CG1-CE2 3.88Å; V301-F329 HydrophobicContact CG2-CD2 4.08Å; F304-F329 HydrophobicContact CB-CD1 3.72Å; F304-F329 HydrophobicContact CB-CE1 3.42Å; F304-F329 VanDerWaalsContact CB-CE1 3.42Å; F304-F329 HydrophobicContact CB-CG 4.44Å; F304-F329 HydrophobicContact CB-CZ 3.92Å; F304-F329 HydrophobicContact CD2-CB 4.24Å; F304-F329 AromaticContact CD2-CD1 3.87Å; F304-F329 HydrophobicContact CD2-CD1 3.87Å; F304-F329 HydrophobicContact CD2-CE1 4.43Å; F304-F329 AromaticContact CD2-CG 4Å; F304-F329 HydrophobicContact CD2-CG 4Å; F304-F329 HydrophobicContact CG-CD1 4.16Å; F304-F329 HydrophobicContact CG-CE1 4.34Å; E305-F329 HydrophobicContact CG-CE2 3.76Å; E305-F329 HydrophobicContact CG-CZ 3.54Å; F327-F329 HydrophobicContact CD1-CD1 4.06Å; F327-F329 HydrophobicContact CE1-CD1 4.28Å; F329-T376 VanDerWaalsContact CA-OG1 3.31Å; F329-T376 WeakPolarHBondContact CA-OG1 3.5Å; F329-F378 HydrophobicContact CB-CB 4.01Å
330L98.4Very high97.6Very high61 Ų6155.2 Ų55.232%0.31930%0.297SS..  trans-104157.7177.9-63.3174.9000111.3P332 S333 L334 T376L330-P332 CarbonylContact C-O 3.47Å; L330-P332 VanDerWaalsContact CB-O 3.3Å; L330-P332 WeakPolarHBondContact CB-O 3.44Å; L330-P332 CarbonylContact O-C 3.58Å; L330-S333 PolarHBondContact O-N 2.68Å; L330-L334 HydrophobicContact CD1-CB 4.3Å; L330-T376 HydrophobicContact CD1-CG2 4.16Å; L330-T376 HydrophobicContact CG-CG2 4.41Å
331K97Very high97.8Very high125 Ų12548.7 Ų48.754%0.54327%0.269SS..SBendtrans-130.2111.1172.1-65.6-172.1173.6-156.50109.9V301 E305V301-K331 HydrophobicContact CG1-CD 4.18Å; V301-K331 HydrophobicContact CG1-CG 3.96Å; E305-K331 WeakPolarHBondContact OE1-CE 3.41Å; E305-K331 IonicContact OE1-NZ 3.7Å; E305-K331 PolarHBondContact OE1-NZ 2.92Å; E305-K331 VanDerWaalsContact OE2-CE 3.29Å; E305-K331 WeakPolarHBondContact OE2-CE 3.49Å; E305-K331 IonicContact OE2-NZ 3.44Å; E305-K331 PolarHBondContact OE2-NZ 2.77Å
332P96.6Very high97.9Very high122 Ų12248.5 Ų48.579%0.79227%0.268SS*.SBendcis-63.4162.5-630-36.2000112.5L330L330-P332 CarbonylContact C-O 3.47Å; L330-P332 VanDerWaalsContact CB-O 3.3Å; L330-P332 WeakPolarHBondContact CB-O 3.44Å; L330-P332 CarbonylContact O-C 3.58Å
333S98.5Very high98Very high15 Ų1553.5 Ų53.511%0.10529%0.29CS..PPolyproline II helixtrans-64.6147.7177.7-68.90000111.3V301 L330 V335 F378V301-S333 WeakPolarHBondContact CG2-OG 3.32Å; L330-S333 PolarHBondContact O-N 2.68Å; S333-V335 PolarHBondContact O-N 2.76Å; S333-F378 WeakPolarHBondContact OG-CE1 3.2Å
334L98.7Very high98Very high26 Ų2650.6 Ų50.614%0.13627%0.271CS..EExtended strand (participates in β ladder)trans-68.7128.2175.9178.667.3000110.2L330 L336 V370 Y374 T376 Y379 V380L330-L334 HydrophobicContact CD1-CB 4.3Å; L334-L336 HydrophobicContact CD1-CD2 4.19Å; L334-L336 HydrophobicContact CD1-CG 4.44Å; L334-L336 HydrophobicContact CD2-CD1 4.25Å; L334-L336 HydrophobicContact CD2-CG 4.27Å; L334-L336 HydrophobicContact CG-CD2 4.47Å; L334-L336 HydrophobicContact CG-CG 4.19Å; L334-V370 HydrophobicContact CD2-CG1 3.66Å; L334-Y374 HydrophobicContact CD1-CD1 4.25Å; L334-Y374 HydrophobicContact CD1-CE1 4.39Å; L334-Y374 HydrophobicContact CD1-CG 4.32Å; L334-Y374 HydrophobicContact CD2-CD1 4.4Å; L334-Y374 HydrophobicContact CD2-CD2 3.43Å; L334-Y374 VanDerWaalsContact CD2-CD2 3.43Å; L334-Y374 HydrophobicContact CD2-CE2 3.96Å; L334-Y374 HydrophobicContact CD2-CG 3.67Å; L334-T376 HydrophobicContact CB-CG2 4.37Å; L334-T376 HydrophobicContact CD2-CG2 4.15Å; L334-Y379 WeakPolarHBondContact O-CA 3.37Å; L334-V380 PolarHBondContact O-N 2.85Å
335V98.8Very high98.1Very high62 Ų6249.2 Ų49.238%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-119.4123.9171.8-174.90000108.3S333 V380 D382S333-V335 PolarHBondContact O-N 2.76Å; V335-V380 HydrophobicContact CB-CB 4.44Å; V335-V380 HydrophobicContact CG1-CB 4.27Å; V335-V380 HydrophobicContact CG1-CG1 4.44Å; V335-V380 HydrophobicContact CG2-CB 4.13Å; V335-V380 HydrophobicContact CG2-CG2 4.23Å; V335-D382 HydrophobicContact CG1-CB 4.02Å
336L98.7Very high98.2Very high7 Ų747.5 Ų47.54%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-117.3141.9172.2-62.3175.1000108.3L334 L344 V370 Y374 V380 L381 D382L334-L336 HydrophobicContact CD1-CD2 4.19Å; L334-L336 HydrophobicContact CD1-CG 4.44Å; L334-L336 HydrophobicContact CD2-CD1 4.25Å; L334-L336 HydrophobicContact CD2-CG 4.27Å; L334-L336 HydrophobicContact CG-CD2 4.47Å; L334-L336 HydrophobicContact CG-CG 4.19Å; L336-L344 HydrophobicContact CD1-CD1 3.86Å; L336-V370 HydrophobicContact CD1-CG2 3.89Å; L336-Y374 HydrophobicContact CD1-CE2 4.45Å; L336-Y374 HydrophobicContact CD2-CE2 4.48Å; L336-V380 PolarHBondContact N-O 3.07Å; L336-L381 HydrophobicContact CB-CD1 4.14Å; L336-L381 CarbonylContact O-C 3.56Å; L336-L381 VanDerWaalsContact O-CA 3.29Å; L336-L381 WeakPolarHBondContact O-CA 3.47Å; L336-D382 PolarHBondContact O-N 3.26Å
337S98.5Very high98.3Very high24 Ų2449.8 Ų49.817%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-75.7157.3167.364.70000111.3P339 E340 G341 L381 D382S337-P339 VanDerWaalsContact C-N 3.35Å; S337-E340 WeakPolarHBondContact CB-OE2 3.27Å; S337-E340 PolarHBondContact N-OE2 3.32Å; S337-E340 WeakPolarHBondContact O-CA 3.33Å; S337-E340 WeakPolarHBondContact O-CB 3.49Å; S337-E340 PolarHBondContact O-N 2.97Å; S337-E340 VanDerWaalsContact OG-CD 3.25Å; S337-E340 VanDerWaalsContact OG-CG 3.24Å; S337-E340 WeakPolarHBondContact OG-CG 3.48Å; S337-E340 PolarHBondContact OG-N 3.28Å; S337-E340 PolarHBondContact OG-OE2 2.92Å; S337-G341 PolarHBondContact O-N 3.15Å; S337-L381 WeakPolarHBondContact O-CD1 3.29Å; S337-D382 CarbonylContact C-O 3.6Å; S337-D382 WeakPolarHBondContact CA-O 3.47Å
338Y98.5Very high98.2Very high1 Ų153.7 Ų53.70%0.00427%0.272CS..Hα-helixtrans-54.8-45.8177.2-162.8-93.9000111.9E340 G341 I342 D356 L358 L381 D382 K383 F384 P385Y338-E340 VanDerWaalsContact C-N 3.3Å; Y338-E340 PolarHBondContact O-N 3.06Å; Y338-G341 PolarHBondContact O-N 3.05Å; Y338-G341 VanDerWaalsContact O-N 3.12Å; Y338-I342 HydrophobicContact CD1-CD1 4.32Å; Y338-I342 HydrophobicContact CD1-CG1 3.68Å; Y338-I342 HydrophobicContact CE1-CD1 3.63Å; Y338-I342 HydrophobicContact CE1-CG1 3.49Å; Y338-I342 VanDerWaalsContact CE1-CG1 3.49Å; Y338-I342 WeakPolarHBondContact O-CG1 3.48Å; Y338-I342 PolarHBondContact O-N 3.12Å; Y338-D356 PolarHBondContact OH-O 2.76Å; Y338-L358 HydrophobicContact CE2-CD1 4.28Å; Y338-L358 HydrophobicContact CE2-CG 4.04Å; Y338-L381 HydrophobicContact CD2-CD2 3.73Å; Y338-L381 HydrophobicContact CD2-CG 4.13Å; Y338-L381 HydrophobicContact CE2-CD2 4.05Å; Y338-D382 PolarHBondContact N-O 2.9Å; Y338-K383 VanDerWaalsContact CB-O 3.29Å; Y338-K383 WeakPolarHBondContact CB-O 3.38Å; Y338-F384 HydrophobicContact CD2-CB 4.4Å; Y338-F384 AromaticContact CD2-CD1 3.53Å; Y338-F384 HydrophobicContact CD2-CD1 3.53Å; Y338-F384 AromaticContact CD2-CD2 3.82Å; Y338-F384 HydrophobicContact CD2-CD2 3.82Å; Y338-F384 AromaticContact CD2-CE1 3.74Å; Y338-F384 HydrophobicContact CD2-CE1 3.74Å; Y338-F384 HydrophobicContact CD2-CE2 4.02Å; Y338-F384 AromaticContact CD2-CG 3.59Å; Y338-F384 HydrophobicContact CD2-CG 3.59Å; Y338-F384 AromaticContact CD2-CZ 3.99Å; Y338-F384 HydrophobicContact CD2-CZ 3.99Å; Y338-F384 AromaticContact CE2-CD1 3.44Å; Y338-F384 HydrophobicContact CE2-CD1 3.44Å; Y338-F384 VanDerWaalsContact CE2-CD1 3.44Å; Y338-F384 HydrophobicContact CE2-CD2 4.5Å; Y338-F384 AromaticContact CE2-CE1 3.44Å; Y338-F384 HydrophobicContact CE2-CE1 3.44Å; Y338-F384 VanDerWaalsContact CE2-CE1 3.44Å; Y338-F384 HydrophobicContact CE2-CE2 4.49Å; Y338-F384 HydrophobicContact CE2-CG 4.02Å; Y338-F384 HydrophobicContact CE2-CZ 4.01Å; Y338-F384 HydrophobicContact CG-CG 4.41Å; Y338-P385 HydrophobicContact CD1-CG 3.77Å; Y338-P385 HydrophobicContact CE1-CG 3.6Å; Y338-P385 HydrophobicContact CG-CG 4.41Å
339P98.2Very high98.1Very high51 Ų5154.6 Ų54.633%0.33129%0.29SS..Hα-helixtrans-59.6-36.3174.3-24.936.6000113.8S337 K343 Y402S337-P339 VanDerWaalsContact C-N 3.35Å; P339-K343 VanDerWaalsContact O-CB 3.29Å; P339-K343 WeakPolarHBondContact O-CB 3.46Å; P339-K343 PolarHBondContact O-N 3.46Å; P339-Y402 HydrophobicContact CG-CE1 3.98Å; P339-Y402 HydrophobicContact CG-CE2 4.36Å
340E98.5Very high98.1Very high97 Ų9755.8 Ų55.845%0.45330%0.296SS..Hα-helixtrans-67.9-40.6174.4-71.2167.3130.500111.7S337 Y338 K343 L344S337-E340 WeakPolarHBondContact CB-OE2 3.27Å; S337-E340 PolarHBondContact N-OE2 3.32Å; S337-E340 WeakPolarHBondContact O-CA 3.33Å; S337-E340 WeakPolarHBondContact O-CB 3.49Å; S337-E340 PolarHBondContact O-N 2.97Å; S337-E340 VanDerWaalsContact OG-CD 3.25Å; S337-E340 VanDerWaalsContact OG-CG 3.24Å; S337-E340 WeakPolarHBondContact OG-CG 3.48Å; S337-E340 PolarHBondContact OG-N 3.28Å; S337-E340 PolarHBondContact OG-OE2 2.92Å; Y338-E340 VanDerWaalsContact C-N 3.3Å; Y338-E340 PolarHBondContact O-N 3.06Å; E340-K343 PolarHBondContact O-N 3.02Å; E340-L344 WeakPolarHBondContact O-CG 3.44Å; E340-L344 PolarHBondContact O-N 2.94Å
341G98.5Very high98Very high2 Ų259.4 Ų59.42%0.02132%0.32CS..Hα-helixtrans-61.3-46.6173.800000112.4S337 Y338 K343 L344 L345S337-G341 PolarHBondContact O-N 3.15Å; Y338-G341 PolarHBondContact O-N 3.05Å; Y338-G341 VanDerWaalsContact O-N 3.12Å; G341-K343 VanDerWaalsContact C-N 3.34Å; G341-K343 PolarHBondContact O-N 3.32Å; G341-L344 PolarHBondContact O-N 2.88Å; G341-L345 WeakPolarHBondContact O-CG 3.37Å; G341-L345 PolarHBondContact O-N 2.92Å
342I98.4Very high98Very high3 Ų354 Ų542%0.01530%0.297CS..Hα-helixtrans-60.4-43.7174.9-67.6-61.3000111.2Y338 L344 L345 R346 I352 L358Y338-I342 HydrophobicContact CD1-CD1 4.32Å; Y338-I342 HydrophobicContact CD1-CG1 3.68Å; Y338-I342 HydrophobicContact CE1-CD1 3.63Å; Y338-I342 HydrophobicContact CE1-CG1 3.49Å; Y338-I342 VanDerWaalsContact CE1-CG1 3.49Å; Y338-I342 WeakPolarHBondContact O-CG1 3.48Å; Y338-I342 PolarHBondContact O-N 3.12Å; I342-L344 PolarHBondContact O-N 3.07Å; I342-L345 PolarHBondContact O-N 3.11Å; I342-R346 HydrophobicContact CG2-CG 4.47Å; I342-R346 WeakPolarHBondContact O-CG 3.41Å; I342-R346 PolarHBondContact O-N 2.87Å; I342-I352 HydrophobicContact CD1-CB 4.48Å; I342-I352 HydrophobicContact CD1-CD1 3.51Å; I342-I352 HydrophobicContact CD1-CG1 3.85Å; I342-I352 HydrophobicContact CD1-CG2 3.86Å; I342-I352 HydrophobicContact CG2-CG2 4.16Å; I342-L358 HydrophobicContact CD1-CD2 4.13Å
343K98.5Very high98Very high127 Ų12749.3 Ų49.355%0.55227%0.272SS*.Hα-helixtrans-59.7-46.8175.8179.5179172.1-178.40111.5P339 E340 G341 L345 R346 E347P339-K343 VanDerWaalsContact O-CB 3.29Å; P339-K343 WeakPolarHBondContact O-CB 3.46Å; P339-K343 PolarHBondContact O-N 3.46Å; E340-K343 PolarHBondContact O-N 3.02Å; G341-K343 VanDerWaalsContact C-N 3.34Å; G341-K343 PolarHBondContact O-N 3.32Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.47Å; K343-R346 PolarHBondContact O-N 2.79Å; K343-E347 WeakPolarHBondContact CE-OE1 3.43Å; K343-E347 HydrophobicContact CG-CG 4.46Å; K343-E347 WeakPolarHBondContact O-CB 3.34Å; K343-E347 VanDerWaalsContact O-CG 3.31Å; K343-E347 WeakPolarHBondContact O-CG 3.41Å; K343-E347 PolarHBondContact O-N 3.01Å
344L98.3Very high97.9Very high8 Ų852.3 Ų52.34%0.04229%0.286CS..Hα-helixtrans-60.2-41.8177.5-73.2171.5000112L336 E340 G341 I342 E347 H348 L366 I369 K373L336-L344 HydrophobicContact CD1-CD1 3.86Å; E340-L344 WeakPolarHBondContact O-CG 3.44Å; E340-L344 PolarHBondContact O-N 2.94Å; G341-L344 PolarHBondContact O-N 2.88Å; I342-L344 PolarHBondContact O-N 3.07Å; L344-E347 PolarHBondContact O-N 3.28Å; L344-H348 PolarHBondContact O-N 2.96Å; L344-H348 PolarHBondContact O-ND1 2.91Å; L344-L366 HydrophobicContact CB-CD1 4.09Å; L344-L366 HydrophobicContact CD1-CD1 4.17Å; L344-I369 HydrophobicContact CB-CG2 4.34Å; L344-I369 HydrophobicContact CD2-CG2 4.29Å; L344-K373 HydrophobicContact CD2-CD 4.36Å
345L98.5Very high97.8Very high0 Ų054.8 Ų54.80%030%0.296CS..Hα-helixtrans-62.3-48.3176.4-76.4167.1000111.6G341 I342 K343 E347 H348 G349 E350 I352 L358 Q362 Q365 L366 I369G341-L345 WeakPolarHBondContact O-CG 3.37Å; G341-L345 PolarHBondContact O-N 2.92Å; I342-L345 PolarHBondContact O-N 3.11Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.47Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 PolarHBondContact O-N 3.33Å; L345-H348 CarbonylContact O-C 3.57Å; L345-H348 WeakPolarHBondContact O-CA 3.49Å; L345-H348 PolarHBondContact O-N 2.89Å; L345-G349 PolarHBondContact O-N 3.35Å; L345-E350 HydrophobicContact CB-CB 3.96Å; L345-E350 HydrophobicContact CB-CG 4.3Å; L345-E350 HydrophobicContact CD2-CB 4.46Å; L345-E350 HydrophobicContact CD2-CG 3.92Å; L345-E350 WeakPolarHBondContact O-CB 3.36Å; L345-E350 PolarHBondContact O-N 2.91Å; L345-E350 VanDerWaalsContact O-N 3.11Å; L345-I352 HydrophobicContact CB-CG2 4.46Å; L345-L358 HydrophobicContact CD1-CD2 3.64Å; L345-Q362 HydrophobicContact CD1-CB 4.25Å; L345-Q362 HydrophobicContact CD2-CB 4.32Å; L345-Q365 HydrophobicContact CD2-CB 4.08Å; L345-Q365 HydrophobicContact CD2-CG 4.07Å; L345-L366 HydrophobicContact CD1-CB 4.47Å; L345-L366 HydrophobicContact CD2-CB 4.01Å; L345-L366 HydrophobicContact CG-CB 4.26Å; L345-L366 HydrophobicContact CG-CD1 4.41Å; L345-I369 HydrophobicContact CD2-CD1 4.41Å
346R98.2Very high97.7Very high108 Ų10856.1 Ų56.141%0.40830%0.301SS..Hα-helixtrans-61.5-40.3178-72173.4177.6162.70.8112.5I342 K343 H348 G349 I352 D354I342-R346 HydrophobicContact CG2-CG 4.47Å; I342-R346 WeakPolarHBondContact O-CG 3.41Å; I342-R346 PolarHBondContact O-N 2.87Å; K343-R346 PolarHBondContact O-N 2.79Å; R346-H348 PolarHBondContact O-N 3.36Å; R346-G349 PolarHBondContact O-N 2.78Å; R346-I352 HydrophobicContact CG-CG2 4.29Å; R346-I352 VanDerWaalsContact CZ-O 3.3Å; R346-I352 PolarHBondContact NE-O 3.11Å; R346-I352 PolarHBondContact NH2-O 2.94Å; R346-D354 IonicContact CZ-OD1 3.33Å; R346-D354 IonicContact NH1-OD1 2.78Å; R346-D354 PolarHBondContact NH1-OD1 3.23Å; R346-D354 IonicContact NH2-OD1 3.75Å; R346-D354 PolarHBondContact NH2-OD1 3.3Å
347E97.9Very high97.5Very high117 Ų11760.7 Ų60.755%0.54733%0.326SS..Hα-helixtrans-60.8-23.4174.4-75173.6176.200112.7K343 L344 L345K343-E347 WeakPolarHBondContact CE-OE1 3.43Å; K343-E347 HydrophobicContact CG-CG 4.46Å; K343-E347 WeakPolarHBondContact O-CB 3.34Å; K343-E347 VanDerWaalsContact O-CG 3.31Å; K343-E347 WeakPolarHBondContact O-CG 3.41Å; K343-E347 PolarHBondContact O-N 3.01Å; L344-E347 PolarHBondContact O-N 3.28Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 PolarHBondContact O-N 3.33Å
348H97Very high97.4Very high90 Ų9060 Ų6042%0.41732%0.32SS..THydrogen-bonded Turntrans-103.718.5176.9-66.374.8000113.3L344 L345 R346 I369L344-H348 PolarHBondContact O-N 2.96Å; L344-H348 PolarHBondContact O-ND1 2.91Å; L345-H348 CarbonylContact O-C 3.57Å; L345-H348 WeakPolarHBondContact O-CA 3.49Å; L345-H348 PolarHBondContact O-N 2.89Å; R346-H348 PolarHBondContact O-N 3.36Å; H348-I369 HydrophobicContact CB-CD1 3.71Å; H348-I369 HydrophobicContact CB-CG1 4.36Å; H348-I369 VanDerWaalsContact CG-CD1 3.48Å
349G96.6Very high97.2Very high65 Ų6562.5 Ų62.567%0.6734%0.338SS*.THydrogen-bonded Turntrans89.45.4169.400000116L345 R346L345-G349 PolarHBondContact O-N 3.35Å; R346-G349 PolarHBondContact O-N 2.78Å
350E97Very high96.9Very high60 Ų6062.3 Ų62.328%0.2834%0.336SS..  trans-75.4141174.6-68.8-74.916600111.4L345 Q362 Q365L345-E350 HydrophobicContact CB-CB 3.96Å; L345-E350 HydrophobicContact CB-CG 4.3Å; L345-E350 HydrophobicContact CD2-CB 4.46Å; L345-E350 HydrophobicContact CD2-CG 3.92Å; L345-E350 WeakPolarHBondContact O-CB 3.36Å; L345-E350 PolarHBondContact O-N 2.91Å; L345-E350 VanDerWaalsContact O-N 3.11Å; E350-Q362 HydrophobicContact CG-CG 4.44Å; E350-Q362 WeakPolarHBondContact OE2-CG 3.46Å; E350-Q365 HydrophobicContact CG-CG 4.25Å
351V96.7Very high96.8Very high137 Ų13760.6 Ų60.683%0.8334%0.338SS*.  trans-103.1109.7173.5-177.60000108.2
352I96.7Very high96.7Very high11 Ų1161.4 Ų61.46%0.05634%0.341CS..  trans-148.7138.5-178.4-174.3165.6000109.8I342 L345 R346 D356 L358I342-I352 HydrophobicContact CD1-CB 4.48Å; I342-I352 HydrophobicContact CD1-CD1 3.51Å; I342-I352 HydrophobicContact CD1-CG1 3.85Å; I342-I352 HydrophobicContact CD1-CG2 3.86Å; I342-I352 HydrophobicContact CG2-CG2 4.16Å; L345-I352 HydrophobicContact CB-CG2 4.46Å; R346-I352 HydrophobicContact CG-CG2 4.29Å; R346-I352 VanDerWaalsContact CZ-O 3.3Å; R346-I352 PolarHBondContact NE-O 3.11Å; R346-I352 PolarHBondContact NH2-O 2.94Å; I352-D356 HydrophobicContact CD1-CB 4.48Å; I352-D356 HydrophobicContact CG1-CB 3.91Å; I352-L358 HydrophobicContact CD1-CD2 3.54Å
353G96.7Very high96.6Very high25 Ų2562 Ų6226%0.25834%0.344SS..  trans-73.1165.8174.600000113.1F355 D356G353-F355 PolarHBondContact O-N 2.87Å; G353-D356 WeakPolarHBondContact CA-OD2 3.32Å; G353-D356 PolarHBondContact N-OD2 3.03Å
354D96.4Very high96.5Very high77 Ų7758.9 Ų58.941%0.41233%0.33SS..SBendtrans-67.6-23.7-177.5-66.1-28.3000113.1R346R346-D354 IonicContact CZ-OD1 3.33Å; R346-D354 IonicContact NH1-OD1 2.78Å; R346-D354 PolarHBondContact NH1-OD1 3.23Å; R346-D354 IonicContact NH2-OD1 3.75Å; R346-D354 PolarHBondContact NH2-OD1 3.3Å
355F97.2Very high96.5Very high78 Ų7860.3 Ų60.334%0.34234%0.337SS..SBendtrans-124.56.2-174.7-48.6-59.2000113.8G353 P385 D401 Y402G353-F355 PolarHBondContact O-N 2.87Å; F355-P385 HydrophobicContact CB-CB 4.09Å; F355-P385 HydrophobicContact CB-CG 4.31Å; F355-P385 HydrophobicContact CD1-CB 4.1Å; F355-P385 HydrophobicContact CD1-CG 4.27Å; F355-D401 HydrophobicContact CD1-CB 4.3Å; F355-D401 HydrophobicContact CE1-CB 3.57Å; F355-D401 HydrophobicContact CZ-CB 3.74Å; F355-Y402 HydrophobicContact CD1-CE1 4.24Å; F355-Y402 HydrophobicContact CE1-CE1 4.03Å; F355-Y402 HydrophobicContact CE1-CE2 4.28Å; F355-Y402 AromaticContact CE1-CZ 3.76Å
356D96.1Very high96.5Very high90 Ų9060.3 Ų60.348%0.48134%0.337SS..PPolyproline II helixtrans-69.2147.8175.4-68-12.9000109.3Y338 I352 G353Y338-D356 PolarHBondContact OH-O 2.76Å; I352-D356 HydrophobicContact CD1-CB 4.48Å; I352-D356 HydrophobicContact CG1-CB 3.91Å; G353-D356 WeakPolarHBondContact CA-OD2 3.32Å; G353-D356 PolarHBondContact N-OD2 3.03Å
357D95.3Very high96.5Very high103 Ų10355.5 Ų55.555%0.55132%0.321SS*.PPolyproline II helixtrans-71.5148.3170.7-166.616.7000111.2S359 I388D357-S359 PolarHBondContact O-N 2.94Å; D357-I388 HydrophobicContact CB-CD1 3.98Å; D357-I388 HydrophobicContact CB-CG2 4.31Å
358L96Very high96.5Very high11 Ų1157.1 Ų57.16%0.05832%0.322CS..PPolyproline II helixtrans-72.7121178.9-67.8-178.9000110.1Y338 I342 L345 I352 Q362 E363 L366 L381Y338-L358 HydrophobicContact CE2-CD1 4.28Å; Y338-L358 HydrophobicContact CE2-CG 4.04Å; I342-L358 HydrophobicContact CD1-CD2 4.13Å; L345-L358 HydrophobicContact CD1-CD2 3.64Å; I352-L358 HydrophobicContact CD1-CD2 3.54Å; L358-Q362 HydrophobicContact CD2-CB 4.35Å; L358-E363 HydrophobicContact CB-CG 3.95Å; L358-L366 HydrophobicContact CD1-CD2 4.44Å; L358-L381 HydrophobicContact CD1-CD2 3.69Å
359S94.9Very high96.6Very high53 Ų5353.1 Ų53.137%0.37130%0.304SS..PPolyproline II helixtrans-67.4155.6167.272.20000110.8D357 A361 Q362 E363D357-S359 PolarHBondContact O-N 2.94Å; S359-A361 PolarHBondContact O-N 2.82Å; S359-A361 VanDerWaalsContact O-N 3.11Å; S359-Q362 CarbonylContact O-C 3.59Å; S359-Q362 WeakPolarHBondContact O-CA 3.34Å; S359-Q362 WeakPolarHBondContact O-CB 3.42Å; S359-Q362 PolarHBondContact O-N 2.73Å; S359-Q362 WeakPolarHBondContact OG-CG 3.4Å; S359-Q362 PolarHBondContact OG-N 2.85Å; S359-Q362 PolarHBondContact OG-OE1 2.76Å; S359-E363 WeakPolarHBondContact O-CG 3.37Å; S359-E363 PolarHBondContact O-N 3.32Å
360T91.4Very high96.7Very high47 Ų4750 Ų5029%0.28827%0.272SS..Hα-helixtrans-55.4-33176.5-53.70000113.9R271 E363 K364R271-T360 PolarHBondContact NH1-OG1 2.93Å; R271-T360 PolarHBondContact NH2-OG1 3.07Å; T360-E363 WeakPolarHBondContact CA-OE2 3.25Å; T360-K364 WeakPolarHBondContact O-CG 3.45Å; T360-K364 PolarHBondContact O-N 2.86Å
361A95.4Very high96.8Very high61 Ų6150.3 Ų50.350%0.50427%0.272SS..Hα-helixtrans-67-42.2175.600000111.1S359 K364 Q365S359-A361 PolarHBondContact O-N 2.82Å; S359-A361 VanDerWaalsContact O-N 3.11Å; A361-K364 PolarHBondContact O-N 3.1Å; A361-Q365 WeakPolarHBondContact O-CB 3.31Å; A361-Q365 PolarHBondContact O-N 2.98Å
362Q97.4Very high96.8Very high19 Ų1950.2 Ų50.29%0.08926%0.263CS..Hα-helixtrans-69.4-38.6178.1-71.7158.4-27.400112.1L345 E350 L358 S359 K364 Q365 L366L345-Q362 HydrophobicContact CD1-CB 4.25Å; L345-Q362 HydrophobicContact CD2-CB 4.32Å; E350-Q362 HydrophobicContact CG-CG 4.44Å; E350-Q362 WeakPolarHBondContact OE2-CG 3.46Å; L358-Q362 HydrophobicContact CD2-CB 4.35Å; S359-Q362 CarbonylContact O-C 3.59Å; S359-Q362 WeakPolarHBondContact O-CA 3.34Å; S359-Q362 WeakPolarHBondContact O-CB 3.42Å; S359-Q362 PolarHBondContact O-N 2.73Å; S359-Q362 WeakPolarHBondContact OG-CG 3.4Å; S359-Q362 PolarHBondContact OG-N 2.85Å; S359-Q362 PolarHBondContact OG-OE1 2.76Å; Q362-K364 VanDerWaalsContact C-N 3.35Å; Q362-K364 PolarHBondContact O-N 3.11Å; Q362-Q365 PolarHBondContact O-N 2.92Å; Q362-L366 WeakPolarHBondContact O-CB 3.25Å; Q362-L366 PolarHBondContact O-N 3.45Å
363E96.6Very high96.9Very high14 Ų1455.4 Ų55.47%0.06529%0.285CS..Hα-helixtrans-55.5-50.7171.6-63.3-179.4125.400110.9R271 L358 S359 T360 Q365 L366 G367 Y409 G412R271-E363 IonicContact NH1-OE2 3.4Å; R271-E363 PolarHBondContact NH1-OE2 3.21Å; L358-E363 HydrophobicContact CB-CG 3.95Å; S359-E363 WeakPolarHBondContact O-CG 3.37Å; S359-E363 PolarHBondContact O-N 3.32Å; T360-E363 WeakPolarHBondContact CA-OE2 3.25Å; E363-Q365 VanDerWaalsContact C-N 3.31Å; E363-Q365 PolarHBondContact O-N 3.02Å; E363-L366 PolarHBondContact O-N 3.23Å; E363-G367 PolarHBondContact O-N 3.32Å; E363-Y409 HydrophobicContact CB-CE1 4.26Å; E363-Y409 HydrophobicContact CG-CE1 4.09Å; E363-G412 CarbonylContact C-O 3.58Å; E363-G412 WeakPolarHBondContact CB-O 2.95Å
364K96.4Very high97Very high62 Ų6257.6 Ų57.627%0.2729%0.286SS..Hα-helixtrans-65.8-33.4179-70.8-172.1-179.3-150.80112.6T360 A361 Q362 R368 G412 E413T360-K364 WeakPolarHBondContact O-CG 3.45Å; T360-K364 PolarHBondContact O-N 2.86Å; A361-K364 PolarHBondContact O-N 3.1Å; Q362-K364 VanDerWaalsContact C-N 3.35Å; Q362-K364 PolarHBondContact O-N 3.11Å; K364-R368 WeakPolarHBondContact O-CG 3.27Å; K364-R368 PolarHBondContact O-N 3.09Å; K364-R368 VanDerWaalsContact O-N 3.14Å; K364-R368 PolarHBondContact O-NE 3.05Å; K364-G412 PolarHBondContact N-O 3.15Å; K364-E413 WeakPolarHBondContact CE-OE1 3.3Å; K364-E413 HydrophobicContact CG-CG 4.37Å; K364-E413 IonicContact NZ-OE1 2.89Å; K364-E413 PolarHBondContact NZ-OE1 2.69Å
365Q98.1Very high97.1Very high38 Ų3860.6 Ų60.618%0.17830%0.295CS..Hα-helixtrans-70.6-45.7176.4-176.262.28.700110.8L345 E350 A361 Q362 E363 G367 R368 I369L345-Q365 HydrophobicContact CD2-CB 4.08Å; L345-Q365 HydrophobicContact CD2-CG 4.07Å; E350-Q365 HydrophobicContact CG-CG 4.25Å; A361-Q365 WeakPolarHBondContact O-CB 3.31Å; A361-Q365 PolarHBondContact O-N 2.98Å; Q362-Q365 PolarHBondContact O-N 2.92Å; E363-Q365 VanDerWaalsContact C-N 3.31Å; E363-Q365 PolarHBondContact O-N 3.02Å; Q365-G367 VanDerWaalsContact C-N 3.32Å; Q365-G367 PolarHBondContact O-N 3.01Å; Q365-R368 WeakPolarHBondContact O-CB 3.28Å; Q365-R368 PolarHBondContact O-N 3.27Å; Q365-R368 VanDerWaalsContact O-N 3.14Å; Q365-I369 HydrophobicContact CG-CD1 4.09Å; Q365-I369 VanDerWaalsContact O-CG1 3.3Å; Q365-I369 WeakPolarHBondContact O-CG1 3.1Å; Q365-I369 PolarHBondContact O-N 2.83Å
366L98.6Very high97.1Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-59.3-44.4175.2-177.258000111L344 L345 L358 Q362 E363 R368 I369 V370 Y379 L381L344-L366 HydrophobicContact CB-CD1 4.09Å; L344-L366 HydrophobicContact CD1-CD1 4.17Å; L345-L366 HydrophobicContact CD1-CB 4.47Å; L345-L366 HydrophobicContact CD2-CB 4.01Å; L345-L366 HydrophobicContact CG-CB 4.26Å; L345-L366 HydrophobicContact CG-CD1 4.41Å; L358-L366 HydrophobicContact CD1-CD2 4.44Å; Q362-L366 WeakPolarHBondContact O-CB 3.25Å; Q362-L366 PolarHBondContact O-N 3.45Å; E363-L366 PolarHBondContact O-N 3.23Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 2.92Å; L366-I369 PolarHBondContact O-N 2.91Å; L366-V370 HydrophobicContact CD1-CG2 4.26Å; L366-V370 HydrophobicContact CG-CG2 4.42Å; L366-V370 WeakPolarHBondContact O-CB 3.33Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 2.81Å; L366-Y379 HydrophobicContact CD2-CE2 4.21Å; L366-Y379 HydrophobicContact CG-CE2 4.41Å; L366-L381 HydrophobicContact CD2-CD1 4.47Å; L366-L381 HydrophobicContact CD2-CD2 4.16Å
367G98.4Very high97.2Very high7 Ų753.2 Ų53.27%0.07226%0.259CS..Hα-helixtrans-60.1-38.7175.300000113.6E363 Q365 V370 K371E363-G367 PolarHBondContact O-N 3.32Å; Q365-G367 VanDerWaalsContact C-N 3.32Å; Q365-G367 PolarHBondContact O-N 3.01Å; G367-V370 PolarHBondContact O-N 2.64Å; G367-K371 VanDerWaalsContact O-CB 3.31Å; G367-K371 WeakPolarHBondContact O-CB 3.39Å; G367-K371 PolarHBondContact O-N 3.22Å
368R98.2Very high97.4Very high151 Ų15148.3 Ų48.357%0.5723%0.233SC*.Hα-helixtrans-63.9-45.6173.6-81.6179.5-89156.5-4.3111.8K364 Q365 L366 V370 K371 E372K364-R368 WeakPolarHBondContact O-CG 3.27Å; K364-R368 PolarHBondContact O-N 3.09Å; K364-R368 VanDerWaalsContact O-N 3.14Å; K364-R368 PolarHBondContact O-NE 3.05Å; Q365-R368 WeakPolarHBondContact O-CB 3.28Å; Q365-R368 PolarHBondContact O-N 3.27Å; Q365-R368 VanDerWaalsContact O-N 3.14Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 2.92Å; R368-V370 VanDerWaalsContact C-N 3.35Å; R368-V370 PolarHBondContact O-N 2.88Å; R368-K371 PolarHBondContact O-N 2.86Å; R368-E372 WeakPolarHBondContact O-CB 3.33Å; R368-E372 PolarHBondContact O-N 2.86Å
369I98.6Very high97.5Very high6 Ų647.8 Ų47.83%0.03123%0.23CC..Hα-helixtrans-60.7-45.8176.7-63.8161000110.4L344 L345 H348 Q365 L366 E372 K373L344-I369 HydrophobicContact CB-CG2 4.34Å; L344-I369 HydrophobicContact CD2-CG2 4.29Å; L345-I369 HydrophobicContact CD2-CD1 4.41Å; H348-I369 HydrophobicContact CB-CD1 3.71Å; H348-I369 HydrophobicContact CB-CG1 4.36Å; H348-I369 VanDerWaalsContact CG-CD1 3.48Å; Q365-I369 HydrophobicContact CG-CD1 4.09Å; Q365-I369 VanDerWaalsContact O-CG1 3.3Å; Q365-I369 WeakPolarHBondContact O-CG1 3.1Å; Q365-I369 PolarHBondContact O-N 2.83Å; L366-I369 PolarHBondContact O-N 2.91Å; I369-E372 PolarHBondContact O-N 3.2Å; I369-K373 VanDerWaalsContact O-CB 3.26Å; I369-K373 WeakPolarHBondContact O-CB 3.25Å; I369-K373 PolarHBondContact O-N 2.9Å
370V98.6Very high97.7Very high0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-61.9-44.9177.9166.70000111.1L334 L336 L366 G367 R368 E372 K373 Y374 T376 Y379L334-V370 HydrophobicContact CD2-CG1 3.66Å; L336-V370 HydrophobicContact CD1-CG2 3.89Å; L366-V370 HydrophobicContact CD1-CG2 4.26Å; L366-V370 HydrophobicContact CG-CG2 4.42Å; L366-V370 WeakPolarHBondContact O-CB 3.33Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 2.81Å; G367-V370 PolarHBondContact O-N 2.64Å; R368-V370 VanDerWaalsContact C-N 3.35Å; R368-V370 PolarHBondContact O-N 2.88Å; V370-E372 PolarHBondContact O-N 3.15Å; V370-K373 PolarHBondContact O-N 3.25Å; V370-Y374 HydrophobicContact CB-CD2 4.42Å; V370-Y374 HydrophobicContact CG1-CD2 4.17Å; V370-Y374 HydrophobicContact CG2-CD2 4.44Å; V370-Y374 WeakPolarHBondContact O-CA 3.5Å; V370-Y374 WeakPolarHBondContact O-CB 3.16Å; V370-Y374 PolarHBondContact O-N 3.29Å; V370-T376 HydrophobicContact CG1-CG2 3.67Å; V370-Y379 HydrophobicContact CB-CD1 4.18Å; V370-Y379 HydrophobicContact CB-CE1 4.26Å; V370-Y379 HydrophobicContact CG1-CD1 3.66Å; V370-Y379 HydrophobicContact CG1-CE1 4.23Å; V370-Y379 HydrophobicContact CG1-CG 3.98Å; V370-Y379 HydrophobicContact CG2-CD1 4.29Å; V370-Y379 HydrophobicContact CG2-CD2 4.43Å; V370-Y379 HydrophobicContact CG2-CE1 4.26Å; V370-Y379 HydrophobicContact CG2-CE2 4.43Å; V370-Y379 HydrophobicContact CG2-CG 4.38Å
371K98.3Very high98.1Very high66 Ų6643.1 Ų43.129%0.28720%0.199SC..Hα-helixtrans-61.1-43.7176.4179.862.8171.8-1560111.8T328 G367 R368 K375 T376 D377T328-K371 PolarHBondContact OG1-NZ 2.84Å; G367-K371 VanDerWaalsContact O-CB 3.31Å; G367-K371 WeakPolarHBondContact O-CB 3.39Å; G367-K371 PolarHBondContact O-N 3.22Å; R368-K371 PolarHBondContact O-N 2.86Å; K371-K375 WeakPolarHBondContact O-CA 3.22Å; K371-K375 PolarHBondContact O-N 2.87Å; K371-T376 WeakPolarHBondContact CA-O 3.22Å; K371-D377 WeakPolarHBondContact CD-OD1 3.43Å; K371-D377 WeakPolarHBondContact CE-OD1 3.38Å; K371-D377 IonicContact NZ-OD1 3.53Å; K371-D377 PolarHBondContact NZ-OD1 2.8Å; K371-D377 IonicContact NZ-OD2 2.57Å; K371-D377 PolarHBondContact NZ-OD2 3.11Å
372E97.9Very high98.2Very high135 Ų13540.4 Ų40.463%0.63118%0.176SC*.Hα-helixtrans-66.1-47.7179.7-174.8174.6177.900111.8R368 I369 V370 K375R368-E372 WeakPolarHBondContact O-CB 3.33Å; R368-E372 PolarHBondContact O-N 2.86Å; I369-E372 PolarHBondContact O-N 3.2Å; V370-E372 PolarHBondContact O-N 3.15Å; E372-K375 WeakPolarHBondContact O-CE 3.18Å; E372-K375 PolarHBondContact O-NZ 2.83Å
373K98Very high98.3Very high120 Ų12042.2 Ų42.252%0.52218%0.184SC..Hα-helixtrans-78.6-44.9-173.5-173.7171.4-179.1179.20113.5L344 I369 V370L344-K373 HydrophobicContact CD2-CD 4.36Å; I369-K373 VanDerWaalsContact O-CB 3.26Å; I369-K373 WeakPolarHBondContact O-CB 3.25Å; I369-K373 PolarHBondContact O-N 2.9Å; V370-K373 PolarHBondContact O-N 3.25Å
374Y98.3Very high98.4Very high71 Ų7141.6 Ų41.628%0.27818%0.181SC..Hα-helixtrans-110.4-1.9-171.5-54.9-73.9000113.7L334 L336 V370 T376L334-Y374 HydrophobicContact CD1-CD1 4.25Å; L334-Y374 HydrophobicContact CD1-CE1 4.39Å; L334-Y374 HydrophobicContact CD1-CG 4.32Å; L334-Y374 HydrophobicContact CD2-CD1 4.4Å; L334-Y374 HydrophobicContact CD2-CD2 3.43Å; L334-Y374 VanDerWaalsContact CD2-CD2 3.43Å; L334-Y374 HydrophobicContact CD2-CE2 3.96Å; L334-Y374 HydrophobicContact CD2-CG 3.67Å; L336-Y374 HydrophobicContact CD1-CE2 4.45Å; L336-Y374 HydrophobicContact CD2-CE2 4.48Å; V370-Y374 HydrophobicContact CB-CD2 4.42Å; V370-Y374 HydrophobicContact CG1-CD2 4.17Å; V370-Y374 HydrophobicContact CG2-CD2 4.44Å; V370-Y374 WeakPolarHBondContact O-CA 3.5Å; V370-Y374 WeakPolarHBondContact O-CB 3.16Å; V370-Y374 PolarHBondContact O-N 3.29Å; Y374-T376 VanDerWaalsContact C-N 3.29Å; Y374-T376 PolarHBondContact O-N 2.89Å
375K98.2Very high98.5Very high141 Ų14138.7 Ų38.761%0.61317%0.168SC*.  trans57.738.3177.3-52.3-53-174.3-160.70113.6T328 K371 E372T328-K375 PolarHBondContact OG1-O 2.9Å; K371-K375 WeakPolarHBondContact O-CA 3.22Å; K371-K375 PolarHBondContact O-N 2.87Å; E372-K375 WeakPolarHBondContact O-CE 3.18Å; E372-K375 PolarHBondContact O-NZ 2.83Å
376T98.7Very high98.5Very high1 Ų137.6 Ų37.61%0.00616%0.164CC..  trans-133.5144.4-179.7-164.40000112.6T328 F329 L330 L334 V370 K371 Y374 F378T328-T376 PolarHBondContact O-OG1 2.69Å; F329-T376 VanDerWaalsContact CA-OG1 3.31Å; F329-T376 WeakPolarHBondContact CA-OG1 3.5Å; L330-T376 HydrophobicContact CD1-CG2 4.16Å; L330-T376 HydrophobicContact CG-CG2 4.41Å; L334-T376 HydrophobicContact CB-CG2 4.37Å; L334-T376 HydrophobicContact CD2-CG2 4.15Å; V370-T376 HydrophobicContact CG1-CG2 3.67Å; K371-T376 WeakPolarHBondContact CA-O 3.22Å; Y374-T376 VanDerWaalsContact C-N 3.29Å; Y374-T376 PolarHBondContact O-N 2.89Å; T376-F378 WeakPolarHBondContact CG2-O 3.42Å; T376-F378 PolarHBondContact OG1-N 2.89Å; T376-F378 PolarHBondContact OG1-O 2.93Å
377D98.8Very high98.3Very high11 Ų1141.6 Ų41.66%0.05919%0.191CC..SBendtrans-95.6-7.5170.8-58-64.6000112F327 T328 K371 M410 R411F327-D377 HydrophobicContact CD2-CB 3.79Å; F327-D377 HydrophobicContact CE2-CB 3.43Å; F327-D377 VanDerWaalsContact CE2-CB 3.43Å; F327-D377 HydrophobicContact CG-CB 4.48Å; F327-D377 HydrophobicContact CZ-CB 3.85Å; T328-D377 PolarHBondContact N-OD2 3.46Å; T328-D377 WeakPolarHBondContact O-CA 3.36Å; T328-D377 WeakPolarHBondContact O-CB 3.24Å; T328-D377 PolarHBondContact O-N 3.46Å; T328-D377 PolarHBondContact OG1-N 2.75Å; T328-D377 PolarHBondContact OG1-OD2 3.07Å; K371-D377 WeakPolarHBondContact CD-OD1 3.43Å; K371-D377 WeakPolarHBondContact CE-OD1 3.38Å; K371-D377 IonicContact NZ-OD1 3.53Å; K371-D377 PolarHBondContact NZ-OD1 2.8Å; K371-D377 IonicContact NZ-OD2 2.57Å; K371-D377 PolarHBondContact NZ-OD2 3.11Å; D377-M410 CarbonylContact O-C 3.59Å; D377-M410 VanDerWaalsContact O-CA 3.27Å; D377-M410 WeakPolarHBondContact O-CA 3.31Å; D377-R411 HydrophobicContact CB-CG 4.07Å; D377-R411 PolarHBondContact O-N 2.78Å; D377-R411 IonicContact OD1-NH1 2.69Å
378F98.8Very high98.1Very high0 Ų044 Ų440%020%0.201CC..EExtended strand (participates in β ladder)trans-121.7123.1-177.9-178.2-117.6000111.3T297 M300 F304 F327 F329 S333 T376 M408 Y409 M410 I415T297-F378 HydrophobicContact CG2-CE1 4.37Å; T297-F378 HydrophobicContact CG2-CZ 4.48Å; M300-F378 HydrophobicContact CB-CE1 4.11Å; M300-F378 HydrophobicContact CB-CE2 4.35Å; M300-F378 HydrophobicContact CB-CZ 3.72Å; M300-F378 HydrophobicContact CG-CE2 4.47Å; M300-F378 HydrophobicContact CG-CZ 4.01Å; F304-F378 HydrophobicContact CE2-CB 4.22Å; F304-F378 AromaticContact CE2-CD1 3.91Å; F304-F378 HydrophobicContact CE2-CD1 3.91Å; F304-F378 AromaticContact CE2-CD2 3.96Å; F304-F378 HydrophobicContact CE2-CD2 3.96Å; F304-F378 HydrophobicContact CE2-CE1 4.24Å; F304-F378 HydrophobicContact CE2-CE2 4.29Å; F304-F378 AromaticContact CE2-CG 3.76Å; F304-F378 HydrophobicContact CE2-CG 3.76Å; F304-F378 HydrophobicContact CE2-CZ 4.42Å; F304-F378 HydrophobicContact CZ-CD2 4.14Å; F304-F378 HydrophobicContact CZ-CE2 4.36Å; F304-F378 HydrophobicContact CZ-CG 4.38Å; F327-F378 HydrophobicContact CE1-CB 4.1Å; F327-F378 HydrophobicContact CZ-CB 3.93Å; F329-F378 HydrophobicContact CB-CB 4.01Å; S333-F378 WeakPolarHBondContact OG-CE1 3.2Å; T376-F378 WeakPolarHBondContact CG2-O 3.42Å; T376-F378 PolarHBondContact OG1-N 2.89Å; T376-F378 PolarHBondContact OG1-O 2.93Å; F378-M408 HydrophobicContact CE2-CB 3.97Å; F378-M408 HydrophobicContact CE2-SD 4.23Å; F378-M408 HydrophobicContact CZ-CB 4.42Å; F378-M408 HydrophobicContact CZ-SD 3.79Å; F378-Y409 WeakPolarHBondContact CA-O 3.4Å; F378-Y409 WeakPolarHBondContact CD2-O 3.29Å; F378-M410 HydrophobicContact CD2-CG 4.06Å; F378-I415 HydrophobicContact CE2-CD1 4.19Å
379Y98.8Very high98Very high1 Ų137.8 Ų37.80%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-151.4161.4176.369.4-83.1000111.8L334 L366 V370 L381 M408 Y409L334-Y379 WeakPolarHBondContact O-CA 3.37Å; L366-Y379 HydrophobicContact CD2-CE2 4.21Å; L366-Y379 HydrophobicContact CG-CE2 4.41Å; V370-Y379 HydrophobicContact CB-CD1 4.18Å; V370-Y379 HydrophobicContact CB-CE1 4.26Å; V370-Y379 HydrophobicContact CG1-CD1 3.66Å; V370-Y379 HydrophobicContact CG1-CE1 4.23Å; V370-Y379 HydrophobicContact CG1-CG 3.98Å; V370-Y379 HydrophobicContact CG2-CD1 4.29Å; V370-Y379 HydrophobicContact CG2-CD2 4.43Å; V370-Y379 HydrophobicContact CG2-CE1 4.26Å; V370-Y379 HydrophobicContact CG2-CE2 4.43Å; V370-Y379 HydrophobicContact CG2-CG 4.38Å; Y379-L381 HydrophobicContact CE2-CB 4.46Å; Y379-M408 WeakPolarHBondContact O-CA 3.05Å; Y379-Y409 HydrophobicContact CD2-CD2 4.29Å; Y379-Y409 VanDerWaalsContact CE1-CB 3.43Å; Y379-Y409 HydrophobicContact CE1-CG 4.09Å; Y379-Y409 AromaticContact CE2-CD2 3.64Å; Y379-Y409 HydrophobicContact CE2-CD2 3.64Å; Y379-Y409 HydrophobicContact CE2-CE2 4.37Å; Y379-Y409 AromaticContact CE2-CG 3.96Å; Y379-Y409 HydrophobicContact CE2-CG 3.96Å; Y379-Y409 VanDerWaalsContact CZ-CB 3.48Å; Y379-Y409 AromaticContact CZ-CD2 3.79Å; Y379-Y409 AromaticContact CZ-CG 3.59Å; Y379-Y409 PolarHBondContact N-O 2.97Å; Y379-Y409 PolarHBondContact O-N 3.15Å
380V98.9Very high97.7Very high0 Ų039.7 Ų39.70%019%0.191CC..EExtended strand (participates in β ladder)trans-105.5134.7173.7-171.90000109I293 T297 L334 V335 L336 D407 M408I293-V380 HydrophobicContact CD1-CG1 4.45Å; I293-V380 HydrophobicContact CG2-CG1 4.29Å; I293-V380 HydrophobicContact CG2-CG2 4.33Å; T297-V380 HydrophobicContact CG2-CG2 3.43Å; T297-V380 VanDerWaalsContact CG2-CG2 3.43Å; L334-V380 PolarHBondContact O-N 2.85Å; V335-V380 HydrophobicContact CB-CB 4.44Å; V335-V380 HydrophobicContact CG1-CB 4.27Å; V335-V380 HydrophobicContact CG1-CG1 4.44Å; V335-V380 HydrophobicContact CG2-CB 4.13Å; V335-V380 HydrophobicContact CG2-CG2 4.23Å; L336-V380 PolarHBondContact N-O 3.07Å; V380-D407 WeakPolarHBondContact CA-O 3.34Å; V380-M408 HydrophobicContact CG1-CG 4.43Å; V380-M408 HydrophobicContact CG2-CE 4.04Å; V380-M408 HydrophobicContact CG2-CG 4.05Å; V380-M408 HydrophobicContact CG2-SD 4.33Å
381L98.8Very high97.5Very high1 Ų139.9 Ų39.91%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-106.8116.1164.6-168.264.9000107.7L336 S337 Y338 L358 L366 Y379 F384 Y406 D407 Y409L336-L381 HydrophobicContact CB-CD1 4.14Å; L336-L381 CarbonylContact O-C 3.56Å; L336-L381 VanDerWaalsContact O-CA 3.29Å; L336-L381 WeakPolarHBondContact O-CA 3.47Å; S337-L381 WeakPolarHBondContact O-CD1 3.29Å; Y338-L381 HydrophobicContact CD2-CD2 3.73Å; Y338-L381 HydrophobicContact CD2-CG 4.13Å; Y338-L381 HydrophobicContact CE2-CD2 4.05Å; L358-L381 HydrophobicContact CD1-CD2 3.69Å; L366-L381 HydrophobicContact CD2-CD1 4.47Å; L366-L381 HydrophobicContact CD2-CD2 4.16Å; Y379-L381 HydrophobicContact CE2-CB 4.46Å; L381-F384 HydrophobicContact CB-CE2 3.75Å; L381-F384 HydrophobicContact CB-CZ 4.29Å; L381-F384 HydrophobicContact CD2-CE2 3.78Å; L381-F384 HydrophobicContact CD2-CZ 3.67Å; L381-F384 HydrophobicContact CG-CD2 4.43Å; L381-F384 HydrophobicContact CG-CE2 3.69Å; L381-F384 HydrophobicContact CG-CZ 4.13Å; L381-F384 VanDerWaalsContact O-CE2 3.25Å; L381-F384 WeakPolarHBondContact O-CE2 3.41Å; L381-Y406 CarbonylContact O-C 3.57Å; L381-Y406 WeakPolarHBondContact O-CA 3.46Å; L381-Y406 WeakPolarHBondContact O-CB 3.41Å; L381-D407 PolarHBondContact N-O 2.77Å; L381-D407 PolarHBondContact O-N 2.89Å; L381-Y409 HydrophobicContact CB-CD2 4.28Å; L381-Y409 HydrophobicContact CB-CE2 3.76Å; L381-Y409 HydrophobicContact CD2-CE2 4.31Å
382D98.7Very high97.4Very high4 Ų437.3 Ų37.32%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-108.9165.7-172.6-172.323000111Y289 H290 V335 L336 S337 Y338 S405Y289-D382 WeakPolarHBondContact CE2-OD1 3.32Å; Y289-D382 PolarHBondContact OH-OD1 3.49Å; Y289-D382 PolarHBondContact OH-OD2 2.92Å; H290-D382 IonicContact CD2-OD2 3.9Å; H290-D382 IonicContact CE1-OD2 3.17Å; H290-D382 IonicContact NE2-OD2 2.72Å; H290-D382 PolarHBondContact NE2-OD2 2.77Å; V335-D382 HydrophobicContact CG1-CB 4.02Å; L336-D382 PolarHBondContact O-N 3.26Å; S337-D382 CarbonylContact C-O 3.6Å; S337-D382 WeakPolarHBondContact CA-O 3.47Å; Y338-D382 PolarHBondContact N-O 2.9Å; D382-S405 CarbonylContact C-O 3.5Å
383K98.5Very high97.4Very high58 Ų5831 Ų3125%0.25215%0.15SC..SBendtrans59.548.8175.8-53.5-167.8178.1-160.20114.9Y338 H396 Y402 S403 S405Y338-K383 VanDerWaalsContact CB-O 3.29Å; Y338-K383 WeakPolarHBondContact CB-O 3.38Å; K383-H396 PolarHBondContact NZ-NE2 3.47Å; K383-H396 VanDerWaalsContact NZ-NE2 3.2Å; K383-Y402 WeakPolarHBondContact O-CD1 3.24Å; K383-S403 WeakPolarHBondContact CA-O 3.41Å; K383-S405 PolarHBondContact N-O 2.83Å
384F98.7Very high97.5Very high1 Ų126.3 Ų26.30%0.00413%0.131CC..  trans-65.5154.7178.1-89.8-115000113.4Y338 L381 L386 I388 R389 S403 S405 D407Y338-F384 HydrophobicContact CD2-CB 4.4Å; Y338-F384 AromaticContact CD2-CD1 3.53Å; Y338-F384 HydrophobicContact CD2-CD1 3.53Å; Y338-F384 AromaticContact CD2-CD2 3.82Å; Y338-F384 HydrophobicContact CD2-CD2 3.82Å; Y338-F384 AromaticContact CD2-CE1 3.74Å; Y338-F384 HydrophobicContact CD2-CE1 3.74Å; Y338-F384 HydrophobicContact CD2-CE2 4.02Å; Y338-F384 AromaticContact CD2-CG 3.59Å; Y338-F384 HydrophobicContact CD2-CG 3.59Å; Y338-F384 AromaticContact CD2-CZ 3.99Å; Y338-F384 HydrophobicContact CD2-CZ 3.99Å; Y338-F384 AromaticContact CE2-CD1 3.44Å; Y338-F384 HydrophobicContact CE2-CD1 3.44Å; Y338-F384 VanDerWaalsContact CE2-CD1 3.44Å; Y338-F384 HydrophobicContact CE2-CD2 4.5Å; Y338-F384 AromaticContact CE2-CE1 3.44Å; Y338-F384 HydrophobicContact CE2-CE1 3.44Å; Y338-F384 VanDerWaalsContact CE2-CE1 3.44Å; Y338-F384 HydrophobicContact CE2-CE2 4.49Å; Y338-F384 HydrophobicContact CE2-CG 4.02Å; Y338-F384 HydrophobicContact CE2-CZ 4.01Å; Y338-F384 HydrophobicContact CG-CG 4.41Å; L381-F384 HydrophobicContact CB-CE2 3.75Å; L381-F384 HydrophobicContact CB-CZ 4.29Å; L381-F384 HydrophobicContact CD2-CE2 3.78Å; L381-F384 HydrophobicContact CD2-CZ 3.67Å; L381-F384 HydrophobicContact CG-CD2 4.43Å; L381-F384 HydrophobicContact CG-CE2 3.69Å; L381-F384 HydrophobicContact CG-CZ 4.13Å; L381-F384 VanDerWaalsContact O-CE2 3.25Å; L381-F384 WeakPolarHBondContact O-CE2 3.41Å; F384-L386 PolarHBondContact O-N 2.53Å; F384-I388 HydrophobicContact CD1-CD1 4.05Å; F384-R389 HydrophobicContact CB-CG 4.29Å; F384-R389 VanDerWaalsContact CD1-CZ 3.45Å; F384-R389 VanDerWaalsContact CG-CZ 3.46Å; F384-S403 PolarHBondContact O-N 3.39Å; F384-S403 PolarHBondContact O-OG 2.77Å; F384-S405 WeakPolarHBondContact CB-OG 3.22Å; F384-S405 PolarHBondContact N-O 2.99Å; F384-D407 WeakPolarHBondContact CE1-OD2 3.3Å; F384-D407 HydrophobicContact CE2-CB 3.91Å; F384-D407 HydrophobicContact CZ-CB 3.86Å; F384-D407 WeakPolarHBondContact CZ-OD2 3.03Å
385P98.4Very high97.5Very high0 Ų024.3 Ų24.30%013%0.127CC..BIsolated β-bridgetrans-55.5132.9174.8-22.533.1000111.5Y338 F355 C387 I388 R389 D401Y338-P385 HydrophobicContact CD1-CG 3.77Å; Y338-P385 HydrophobicContact CE1-CG 3.6Å; Y338-P385 HydrophobicContact CG-CG 4.41Å; F355-P385 HydrophobicContact CB-CB 4.09Å; F355-P385 HydrophobicContact CB-CG 4.31Å; F355-P385 HydrophobicContact CD1-CB 4.1Å; F355-P385 HydrophobicContact CD1-CG 4.27Å; P385-C387 VanDerWaalsContact C-N 3.26Å; P385-C387 PolarHBondContact O-N 2.89Å; P385-I388 HydrophobicContact CB-CD1 4.46Å; P385-I388 HydrophobicContact CB-CG1 4.23Å; P385-I388 HydrophobicContact CG-CD1 4.28Å; P385-I388 WeakPolarHBondContact O-CG1 3.33Å; P385-I388 PolarHBondContact O-N 3.18Å; P385-R389 WeakPolarHBondContact O-CG 3.38Å; P385-D401 CarbonylContact C-O 3.54Å; P385-D401 WeakPolarHBondContact CA-O 3.48Å
386L97.7Very high97.5Very high16 Ų1618.8 Ų18.88%0.08410%0.103CC..G310 helixtrans-66.5-29-176.6179.563.4000112.6F384 I388 R389 P395 P400 D401F384-L386 PolarHBondContact O-N 2.53Å; L386-I388 VanDerWaalsContact C-N 3.28Å; L386-I388 PolarHBondContact O-N 3.29Å; L386-R389 PolarHBondContact O-N 3.26Å; L386-P395 HydrophobicContact CD1-CG 4.35Å; L386-P395 HydrophobicContact CD2-CB 3.84Å; L386-P395 HydrophobicContact CD2-CG 3.86Å; L386-P400 WeakPolarHBondContact CD2-O 3.12Å; L386-D401 PolarHBondContact N-O 2.78Å
387C95.4Very high97.4Very high84 Ų8423.1 Ų23.157%0.56814%0.139SC*.G310 helixtrans-66.4-26.1-177.1570000113.7P385P385-C387 VanDerWaalsContact C-N 3.26Å; P385-C387 PolarHBondContact O-N 2.89Å
388I94.4Very high97.3Very high57 Ų5729.3 Ų29.329%0.29217%0.172SC..G310 helixtrans-98.54.2179.568.5175.7000112.8D357 F384 P385 L386D357-I388 HydrophobicContact CB-CD1 3.98Å; D357-I388 HydrophobicContact CB-CG2 4.31Å; F384-I388 HydrophobicContact CD1-CD1 4.05Å; P385-I388 HydrophobicContact CB-CD1 4.46Å; P385-I388 HydrophobicContact CB-CG1 4.23Å; P385-I388 HydrophobicContact CG-CD1 4.28Å; P385-I388 WeakPolarHBondContact O-CG1 3.33Å; P385-I388 PolarHBondContact O-N 3.18Å; L386-I388 VanDerWaalsContact C-N 3.28Å; L386-I388 PolarHBondContact O-N 3.29Å
389R94.8Very high97.2Very high20 Ų2033.5 Ų33.58%0.07519%0.192CC..SBendtrans-108151.3-176.4-64.8-61.2-157.7-168.97.7112.2F384 P385 L386 T393 S405 D407 H435F384-R389 HydrophobicContact CB-CG 4.29Å; F384-R389 VanDerWaalsContact CD1-CZ 3.45Å; F384-R389 VanDerWaalsContact CG-CZ 3.46Å; P385-R389 WeakPolarHBondContact O-CG 3.38Å; L386-R389 PolarHBondContact O-N 3.26Å; R389-T393 HydrophobicContact CB-CG2 4.03Å; R389-S405 WeakPolarHBondContact CG-OG 3.32Å; R389-S405 PolarHBondContact NE-OG 2.87Å; R389-D407 IonicContact CZ-OD1 3.86Å; R389-D407 IonicContact CZ-OD2 3.16Å; R389-D407 IonicContact NH1-OD1 3.51Å; R389-D407 PolarHBondContact NH1-OD1 2.72Å; R389-D407 VanDerWaalsContact NH1-OD1 3.15Å; R389-D407 IonicContact NH1-OD2 2.74Å; R389-D407 PolarHBondContact NH1-OD2 2.85Å; R389-D407 IonicContact NH2-OD1 2.7Å; R389-D407 PolarHBondContact NH2-OD1 2.76Å; R389-D407 IonicContact NH2-OD2 3.15Å; R389-D407 PolarHBondContact NH2-OD2 3.13Å; R389-H435 PolarHBondContact O-CE1 2.74Å; R389-H435 PolarHBondContact O-NE2 2.7Å
390P93.8Very high97Very high47 Ų4737.8 Ų37.831%0.30522%0.22SC..  trans-59.5156.5-179-24.434.1000113.5Y392 T393P390-Y392 HydrophobicContact CB-CD1 4.15Å; P390-Y392 HydrophobicContact CB-CD2 4.09Å; P390-Y392 HydrophobicContact CB-CE1 3.68Å; P390-Y392 HydrophobicContact CB-CE2 3.6Å; P390-Y392 HydrophobicContact CB-CG 4.34Å; P390-Y392 HydrophobicContact CG-CE1 4.45Å; P390-Y392 HydrophobicContact CG-CE2 3.94Å; P390-Y392 PolarHBondContact O-N 2.82Å; P390-Y392 VanDerWaalsContact O-N 3.07Å; P390-T393 WeakPolarHBondContact O-CB 3.35Å; P390-T393 PolarHBondContact O-N 2.74Å; P390-T393 PolarHBondContact O-OG1 3.34Å
391F94.4Very high96.9Very high4 Ų442.5 Ų42.52%0.01825%0.245CC..THydrogen-bonded Turntrans-54-31-177.479.1-81.5000115.1T393 I422 L428 R431 A432 H435 I437 I442 Y445F391-T393 PolarHBondContact O-N 3.03Å; F391-I422 VanDerWaalsContact O-CD1 3.28Å; F391-I422 WeakPolarHBondContact O-CD1 3.45Å; F391-L428 HydrophobicContact CD2-CD1 3.88Å; F391-L428 HydrophobicContact CE2-CD1 3.68Å; F391-L428 HydrophobicContact CE2-CG 4.42Å; F391-R431 WeakPolarHBondContact O-CB 3.37Å; F391-A432 HydrophobicContact CD2-CB 3.65Å; F391-A432 HydrophobicContact CE2-CB 4.03Å; F391-A432 HydrophobicContact CG-CB 4.38Å; F391-H435 HydrophobicContact CB-CB 3.91Å; F391-I437 HydrophobicContact CB-CD1 3.77Å; F391-I437 HydrophobicContact CD1-CD1 3.05Å; F391-I437 HydrophobicContact CD2-CD1 4.12Å; F391-I437 HydrophobicContact CE1-CD1 3.52Å; F391-I437 HydrophobicContact CE2-CD1 4.49Å; F391-I437 HydrophobicContact CG-CD1 3.38Å; F391-I437 HydrophobicContact CZ-CD1 4.23Å; F391-I442 HydrophobicContact CE2-CD1 3.81Å; F391-I442 HydrophobicContact CZ-CD1 3.92Å; F391-Y445 HydrophobicContact CE2-CE1 4.11Å; F391-Y445 HydrophobicContact CZ-CE1 4.03Å
392Y95.8Very high96.9Very high12 Ų1243.8 Ų43.85%0.04725%0.25CC..THydrogen-bonded Turntrans-79.22.5-179.350.9-113.6000113.8Q241 P390 R421 I422Q241-Y392 HydrophobicContact CG-CE1 4.07Å; Q241-Y392 HydrophobicContact CG-CE2 4.13Å; P390-Y392 HydrophobicContact CB-CD1 4.15Å; P390-Y392 HydrophobicContact CB-CD2 4.09Å; P390-Y392 HydrophobicContact CB-CE1 3.68Å; P390-Y392 HydrophobicContact CB-CE2 3.6Å; P390-Y392 HydrophobicContact CB-CG 4.34Å; P390-Y392 HydrophobicContact CG-CE1 4.45Å; P390-Y392 HydrophobicContact CG-CE2 3.94Å; P390-Y392 PolarHBondContact O-N 2.82Å; P390-Y392 VanDerWaalsContact O-N 3.07Å; Y392-R421 VanDerWaalsContact CE2-NH1 3.3Å; Y392-R421 WeakPolarHBondContact O-CA 3.41Å; Y392-I422 PolarHBondContact O-N 3.33Å
393T97.9Very high96.9Very high1 Ų143.6 Ų43.61%0.00625%0.249CC..BIsolated β-bridgetrans-81.4127.6-178.5-520000111R389 P390 F391 P395 A419R389-T393 HydrophobicContact CB-CG2 4.03Å; P390-T393 WeakPolarHBondContact O-CB 3.35Å; P390-T393 PolarHBondContact O-N 2.74Å; P390-T393 PolarHBondContact O-OG1 3.34Å; F391-T393 PolarHBondContact O-N 3.03Å; T393-P395 WeakPolarHBondContact O-CD 3.35Å; T393-A419 HydrophobicContact CG2-CB 3.87Å
394M98.7Very high96.9Very high23 Ų2341.7 Ų41.711%0.11324%0.241CC..PPolyproline II helixtrans-66.3124.9177.7-174.864.378.500111.2S403 N404 Q420 I422 L427M394-S403 WeakPolarHBondContact O-CA 3.32Å; M394-N404 HydrophobicContact CB-CB 4.35Å; M394-N404 PolarHBondContact O-N 3.01Å; M394-Q420 HydrophobicContact CB-CB 3.97Å; M394-Q420 HydrophobicContact CB-CG 3.72Å; M394-Q420 HydrophobicContact CG-CG 4.15Å; M394-Q420 PolarHBondContact N-O 3.42Å; M394-I422 HydrophobicContact CB-CG1 4.45Å; M394-I422 HydrophobicContact CE-CB 4.5Å; M394-I422 HydrophobicContact CE-CG1 4.42Å; M394-I422 HydrophobicContact SD-CG1 4.27Å; M394-L427 HydrophobicContact SD-CD2 3.99Å
395P98.5Very high96.9Very high29 Ų2941.7 Ų41.719%0.18824%0.241CC..BIsolated β-bridgetrans-61.3149.1170.5-2335.1000112.1L386 T393L386-P395 HydrophobicContact CD1-CG 4.35Å; L386-P395 HydrophobicContact CD2-CB 3.84Å; L386-P395 HydrophobicContact CD2-CG 3.86Å; T393-P395 WeakPolarHBondContact O-CD 3.35Å
396H98.4Very high96.9Very high24 Ų2441.7 Ų41.711%0.11124%0.241CC..PPolyproline II helixtrans-71133.3173.3-176.1-91.9000109.9K383 N398 E399 Y402K383-H396 PolarHBondContact NZ-NE2 3.47Å; K383-H396 VanDerWaalsContact NZ-NE2 3.2Å; H396-N398 VanDerWaalsContact C-N 3.31Å; H396-N398 PolarHBondContact ND1-N 3.38Å; H396-N398 PolarHBondContact O-N 3.3Å; H396-E399 WeakPolarHBondContact CB-O 3.38Å; H396-E399 IonicContact CE1-OE2 3.13Å; H396-E399 WeakPolarHBondContact ND1-CB 3.32Å; H396-E399 PolarHBondContact ND1-N 2.77Å; H396-E399 VanDerWaalsContact ND1-N 3.15Å; H396-Y402 WeakPolarHBondContact CB-O 3.36Å; H396-Y402 PolarHBondContact N-O 3.04Å
397A97.4Very high97Very high93 Ų9341.3 Ų41.377%0.76924%0.239SC*.SBendtrans-63.5-33.2-16800000114.2
398N96.5Very high97.1Very high140 Ų14037.3 Ų37.375%0.74921%0.212SC*.SBendtrans-110.6-10.3-174.6-58.9-43.4000113.6H396H396-N398 VanDerWaalsContact C-N 3.31Å; H396-N398 PolarHBondContact ND1-N 3.38Å; H396-N398 PolarHBondContact O-N 3.3Å
399E96.4Very high97.3Very high88 Ų8834.7 Ų34.741%0.41120%0.199SC..  trans-139.581.9-174.1-60.2172.335.600108.1H396 D401 Y402H396-E399 WeakPolarHBondContact CB-O 3.38Å; H396-E399 IonicContact CE1-OE2 3.13Å; H396-E399 WeakPolarHBondContact ND1-CB 3.32Å; H396-E399 PolarHBondContact ND1-N 2.77Å; H396-E399 VanDerWaalsContact ND1-N 3.15Å; E399-D401 PolarHBondContact O-N 2.76Å; E399-Y402 HydrophobicContact CB-CD2 3.86Å; E399-Y402 PolarHBondContact O-N 3.24Å; E399-Y402 VanDerWaalsContact OE1-CD2 3.3Å; E399-Y402 WeakPolarHBondContact OE1-CD2 3.5Å
400P93.9Very high97.5Very high91 Ų9133.7 Ų33.759%0.59120%0.195SC*.THydrogen-bonded Turntrans-65.5-16.1-164.325.2-35.2000114.7L386L386-P400 WeakPolarHBondContact CD2-O 3.12Å
401D97.5Very high97.7Very high99 Ų9934.5 Ų34.553%0.52919%0.192SC..THydrogen-bonded Turntrans-74.2-17.4173.6-61.1-43.2000112.5F355 P385 L386 E399F355-D401 HydrophobicContact CD1-CB 4.3Å; F355-D401 HydrophobicContact CE1-CB 3.57Å; F355-D401 HydrophobicContact CZ-CB 3.74Å; P385-D401 CarbonylContact C-O 3.54Å; P385-D401 WeakPolarHBondContact CA-O 3.48Å; L386-D401 PolarHBondContact N-O 2.78Å; E399-D401 PolarHBondContact O-N 2.76Å
402Y98.5Very high97.8Very high29 Ų2934.3 Ų34.311%0.11419%0.192CC..BIsolated β-bridgetrans-104.2169.3174.6-61.8-69.7000111.8P339 F355 K383 H396 E399P339-Y402 HydrophobicContact CG-CE1 3.98Å; P339-Y402 HydrophobicContact CG-CE2 4.36Å; F355-Y402 HydrophobicContact CD1-CE1 4.24Å; F355-Y402 HydrophobicContact CE1-CE1 4.03Å; F355-Y402 HydrophobicContact CE1-CE2 4.28Å; F355-Y402 AromaticContact CE1-CZ 3.76Å; K383-Y402 WeakPolarHBondContact O-CD1 3.24Å; H396-Y402 WeakPolarHBondContact CB-O 3.36Å; H396-Y402 PolarHBondContact N-O 3.04Å; E399-Y402 HydrophobicContact CB-CD2 3.86Å; E399-Y402 PolarHBondContact O-N 3.24Å; E399-Y402 VanDerWaalsContact OE1-CD2 3.3Å; E399-Y402 WeakPolarHBondContact OE1-CD2 3.5Å
403S98.7Very high97.9Very high0 Ų034.6 Ų34.60%019%0.193CC..BIsolated β-bridgetrans-136.4161.1-177.265.70000111.3K383 F384 M394 S405K383-S403 WeakPolarHBondContact CA-O 3.41Å; F384-S403 PolarHBondContact O-N 3.39Å; F384-S403 PolarHBondContact O-OG 2.77Å; M394-S403 WeakPolarHBondContact O-CA 3.32Å; S403-S405 PolarHBondContact O-N 3.46Å; S403-S405 PolarHBondContact OG-OG 3.3Å
404N98.8Very high97.8Very high17 Ų1737 Ų379%0.09121%0.205CC..SBendtrans-83.154.6174-65.3-3.2000110.1Y289 M394 A419 Q420Y289-N404 HydrophobicContact CD1-CB 3.77Å; Y289-N404 HydrophobicContact CD2-CB 4.38Å; Y289-N404 HydrophobicContact CE1-CB 3.7Å; Y289-N404 HydrophobicContact CE2-CB 4.3Å; Y289-N404 HydrophobicContact CG-CB 4.12Å; M394-N404 HydrophobicContact CB-CB 4.35Å; M394-N404 PolarHBondContact O-N 3.01Å; N404-A419 CarbonylContact O-C 3.59Å; N404-A419 VanDerWaalsContact O-CA 3.3Å; N404-A419 WeakPolarHBondContact O-CA 3.28Å; N404-A419 WeakPolarHBondContact O-CB 3.21Å; N404-Q420 HydrophobicContact CB-CB 3.77Å; N404-Q420 PolarHBondContact ND2-OE1 2.87Å; N404-Q420 PolarHBondContact O-N 2.83Å
405S98.8Very high97.8Very high1 Ų136.1 Ų36.11%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-123.2152.9179.365.80000111.8D382 K383 F384 R389 S403 G418D382-S405 CarbonylContact C-O 3.5Å; K383-S405 PolarHBondContact N-O 2.83Å; F384-S405 WeakPolarHBondContact CB-OG 3.22Å; F384-S405 PolarHBondContact N-O 2.99Å; R389-S405 WeakPolarHBondContact CG-OG 3.32Å; R389-S405 PolarHBondContact NE-OG 2.87Å; S403-S405 PolarHBondContact O-N 3.46Å; S403-S405 PolarHBondContact OG-OG 3.3Å; S405-G418 WeakPolarHBondContact CA-O 3.49Å; S405-G418 WeakPolarHBondContact CB-O 3.39Å
406Y98.8Very high97.8Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-148.5145.4-172.452.6-88.8000110.4Y289 V292 I293 I296 L381 M408 L416 G418 G458Y289-Y406 HydrophobicContact CD2-CD1 4.02Å; Y289-Y406 AromaticContact CD2-CE1 3.97Å; Y289-Y406 HydrophobicContact CD2-CE1 3.97Å; Y289-Y406 AromaticContact CE2-CD1 3.89Å; Y289-Y406 HydrophobicContact CE2-CD1 3.89Å; Y289-Y406 HydrophobicContact CE2-CE1 4.32Å; V292-Y406 VanDerWaalsContact CG1-OH 3.31Å; V292-Y406 WeakPolarHBondContact CG1-OH 3.18Å; I293-Y406 HydrophobicContact CD1-CD1 3.56Å; I293-Y406 HydrophobicContact CD1-CD2 4.28Å; I293-Y406 HydrophobicContact CD1-CE1 4.12Å; I293-Y406 HydrophobicContact CD1-CG 3.65Å; I293-Y406 HydrophobicContact CG1-CD1 3.64Å; I293-Y406 HydrophobicContact CG1-CD2 4.09Å; I293-Y406 HydrophobicContact CG1-CE1 3.67Å; I293-Y406 HydrophobicContact CG1-CE2 4.12Å; I293-Y406 HydrophobicContact CG1-CG 3.86Å; I296-Y406 HydrophobicContact CD1-CE2 4.02Å; I296-Y406 WeakPolarHBondContact CD1-OH 3.2Å; L381-Y406 CarbonylContact O-C 3.57Å; L381-Y406 WeakPolarHBondContact O-CA 3.46Å; L381-Y406 WeakPolarHBondContact O-CB 3.41Å; Y406-M408 HydrophobicContact CD2-CE 4.26Å; Y406-M408 HydrophobicContact CE2-CE 4.21Å; Y406-L416 HydrophobicContact CD2-CD2 4.05Å; Y406-L416 HydrophobicContact CE2-CD2 3.82Å; Y406-G418 PolarHBondContact N-O 2.93Å; Y406-G418 PolarHBondContact O-N 3.16Å; Y406-G418 VanDerWaalsContact O-O 3.06Å; Y406-G458 PolarHBondContact OH-O 3.3Å
407D98.7Very high97.7Very high8 Ų835.8 Ų35.84%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-116.7148.1168.4-66.1-19.1000109.4V380 L381 F384 R389 Y409 E414 L416 S417V380-D407 WeakPolarHBondContact CA-O 3.34Å; L381-D407 PolarHBondContact N-O 2.77Å; L381-D407 PolarHBondContact O-N 2.89Å; F384-D407 WeakPolarHBondContact CE1-OD2 3.3Å; F384-D407 HydrophobicContact CE2-CB 3.91Å; F384-D407 HydrophobicContact CZ-CB 3.86Å; F384-D407 WeakPolarHBondContact CZ-OD2 3.03Å; R389-D407 IonicContact CZ-OD1 3.86Å; R389-D407 IonicContact CZ-OD2 3.16Å; R389-D407 IonicContact NH1-OD1 3.51Å; R389-D407 PolarHBondContact NH1-OD1 2.72Å; R389-D407 VanDerWaalsContact NH1-OD1 3.15Å; R389-D407 IonicContact NH1-OD2 2.74Å; R389-D407 PolarHBondContact NH1-OD2 2.85Å; R389-D407 IonicContact NH2-OD1 2.7Å; R389-D407 PolarHBondContact NH2-OD1 2.76Å; R389-D407 IonicContact NH2-OD2 3.15Å; R389-D407 PolarHBondContact NH2-OD2 3.13Å; D407-Y409 HydrophobicContact CB-CD2 4.49Å; D407-Y409 HydrophobicContact CB-CE2 3.67Å; D407-E414 HydrophobicContact CB-CG 4.23Å; D407-L416 CarbonylContact C-O 3.52Å; D407-L416 WeakPolarHBondContact CA-O 3.45Å; D407-L416 WeakPolarHBondContact CB-O 3.44Å; D407-S417 WeakPolarHBondContact OD1-CA 3.44Å; D407-S417 WeakPolarHBondContact OD1-CB 3.47Å; D407-S417 PolarHBondContact OD1-OG 2.7Å
408M98.7Very high97.7Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-110.8140.7172.3-52.8-170.5175.600110I293 I296 T297 F378 Y379 V380 Y406 E414 I415 L416I293-M408 HydrophobicContact CG2-CE 4.45Å; I296-M408 HydrophobicContact CB-CE 3.67Å; I296-M408 HydrophobicContact CG2-CE 3.31Å; I296-M408 HydrophobicContact CG2-SD 3.58Å; I296-M408 VanDerWaalsContact CG2-SD 3.58Å; T297-M408 HydrophobicContact CG2-CE 3.6Å; T297-M408 HydrophobicContact CG2-SD 4.16Å; F378-M408 HydrophobicContact CE2-CB 3.97Å; F378-M408 HydrophobicContact CE2-SD 4.23Å; F378-M408 HydrophobicContact CZ-CB 4.42Å; F378-M408 HydrophobicContact CZ-SD 3.79Å; Y379-M408 WeakPolarHBondContact O-CA 3.05Å; V380-M408 HydrophobicContact CG1-CG 4.43Å; V380-M408 HydrophobicContact CG2-CE 4.04Å; V380-M408 HydrophobicContact CG2-CG 4.05Å; V380-M408 HydrophobicContact CG2-SD 4.33Å; Y406-M408 HydrophobicContact CD2-CE 4.26Å; Y406-M408 HydrophobicContact CE2-CE 4.21Å; M408-E414 CarbonylContact O-C 3.6Å; M408-E414 WeakPolarHBondContact O-CA 3.28Å; M408-I415 HydrophobicContact CB-CD1 4.4Å; M408-I415 HydrophobicContact CB-CG1 4.17Å; M408-I415 VanDerWaalsContact O-CG1 3.23Å; M408-I415 WeakPolarHBondContact O-CG1 3.41Å; M408-I415 PolarHBondContact O-N 2.72Å; M408-L416 HydrophobicContact CB-CB 4.05Å; M408-L416 HydrophobicContact CG-CB 4.24Å; M408-L416 HydrophobicContact CG-CD1 4.43Å; M408-L416 HydrophobicContact CG-CD2 4.1Å; M408-L416 PolarHBondContact N-O 3.02Å; M408-L416 HydrophobicContact SD-CD1 4.04Å
409Y98.7Very high97.8Very high2 Ų224.8 Ų24.81%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-120.4138.2-173.3-68.6-95.1000110.8E363 F378 Y379 L381 D407 E413 E414E363-Y409 HydrophobicContact CB-CE1 4.26Å; E363-Y409 HydrophobicContact CG-CE1 4.09Å; F378-Y409 WeakPolarHBondContact CA-O 3.4Å; F378-Y409 WeakPolarHBondContact CD2-O 3.29Å; Y379-Y409 HydrophobicContact CD2-CD2 4.29Å; Y379-Y409 VanDerWaalsContact CE1-CB 3.43Å; Y379-Y409 HydrophobicContact CE1-CG 4.09Å; Y379-Y409 AromaticContact CE2-CD2 3.64Å; Y379-Y409 HydrophobicContact CE2-CD2 3.64Å; Y379-Y409 HydrophobicContact CE2-CE2 4.37Å; Y379-Y409 AromaticContact CE2-CG 3.96Å; Y379-Y409 HydrophobicContact CE2-CG 3.96Å; Y379-Y409 VanDerWaalsContact CZ-CB 3.48Å; Y379-Y409 AromaticContact CZ-CD2 3.79Å; Y379-Y409 AromaticContact CZ-CG 3.59Å; Y379-Y409 PolarHBondContact N-O 2.97Å; Y379-Y409 PolarHBondContact O-N 3.15Å; L381-Y409 HydrophobicContact CB-CD2 4.28Å; L381-Y409 HydrophobicContact CB-CE2 3.76Å; L381-Y409 HydrophobicContact CD2-CE2 4.31Å; D407-Y409 HydrophobicContact CB-CD2 4.49Å; D407-Y409 HydrophobicContact CB-CE2 3.67Å; Y409-E413 CarbonylContact C-O 3.59Å; Y409-E413 WeakPolarHBondContact CA-O 3.32Å; Y409-E414 HydrophobicContact CD1-CB 4.15Å; Y409-E414 VanDerWaalsContact CD1-N 3.31Å; Y409-E414 HydrophobicContact CE1-CB 3.8Å
410M98.6Very high98Very high0 Ų021.5 Ų21.50%012%0.115CC..EExtended strand (participates in β ladder)trans-117.9123.6167.1-68.6179.67000109F304 F327 D377 F378 G412 E413 I415 V466 L469 F470F304-M410 HydrophobicContact CE1-CE 3.65Å; F304-M410 HydrophobicContact CE1-SD 4.04Å; F304-M410 HydrophobicContact CZ-CE 3.93Å; F304-M410 HydrophobicContact CZ-CG 4.44Å; F304-M410 HydrophobicContact CZ-SD 3.93Å; F327-M410 HydrophobicContact CD2-CE 4.2Å; F327-M410 HydrophobicContact CE1-CE 4.02Å; F327-M410 HydrophobicContact CE2-CB 4.04Å; F327-M410 HydrophobicContact CE2-CE 3.54Å; F327-M410 HydrophobicContact CE2-CG 4.23Å; F327-M410 HydrophobicContact CZ-CB 4.14Å; F327-M410 HydrophobicContact CZ-CE 3.45Å; F327-M410 VanDerWaalsContact CZ-CE 3.45Å; F327-M410 HydrophobicContact CZ-CG 3.86Å; F327-M410 HydrophobicContact CZ-SD 4.41Å; D377-M410 CarbonylContact O-C 3.59Å; D377-M410 VanDerWaalsContact O-CA 3.27Å; D377-M410 WeakPolarHBondContact O-CA 3.31Å; F378-M410 HydrophobicContact CD2-CG 4.06Å; M410-G412 PolarHBondContact O-N 3.28Å; M410-E413 PolarHBondContact N-O 2.9Å; M410-E413 PolarHBondContact O-N 3.33Å; M410-I415 HydrophobicContact CB-CG2 3.83Å; M410-I415 HydrophobicContact CG-CB 4.48Å; M410-I415 HydrophobicContact CG-CD1 3.78Å; M410-I415 HydrophobicContact CG-CG1 3.96Å; M410-I415 HydrophobicContact CG-CG2 3.8Å; M410-I415 HydrophobicContact SD-CB 4.46Å; M410-I415 HydrophobicContact SD-CD1 3.7Å; M410-I415 HydrophobicContact SD-CG1 4.28Å; M410-I415 HydrophobicContact SD-CG2 3.8Å; M410-V466 HydrophobicContact CE-CG1 4.38Å; M410-V466 HydrophobicContact SD-CB 4.31Å; M410-V466 HydrophobicContact SD-CG1 4.06Å; M410-V466 HydrophobicContact SD-CG2 4.13Å; M410-L469 HydrophobicContact CB-CB 3.73Å; M410-L469 HydrophobicContact CB-CD1 3.97Å; M410-L469 HydrophobicContact CB-CG 4.45Å; M410-L469 HydrophobicContact CE-CB 4.37Å; M410-F470 HydrophobicContact CE-CB 3.82Å; M410-F470 HydrophobicContact CE-CD2 4.39Å
411R97.8Very high98.2Very high63 Ų6317.7 Ų17.724%0.2389%0.088CC..THydrogen-bonded Turntrans51.237.2-177.8-58.3-172.3-176.6-89.86113.8E325 F327 D377 E413 L469E325-R411 PolarHBondContact O-NH2 3.03Å; F327-R411 HydrophobicContact CD2-CG 4.28Å; F327-R411 HydrophobicContact CE2-CG 4.08Å; D377-R411 HydrophobicContact CB-CG 4.07Å; D377-R411 PolarHBondContact O-N 2.78Å; D377-R411 IonicContact OD1-NH1 2.69Å; R411-E413 VanDerWaalsContact C-N 3.28Å; R411-E413 PolarHBondContact O-N 3.46Å; R411-L469 VanDerWaalsContact CD-O 3.23Å; R411-L469 WeakPolarHBondContact CD-O 3.47Å; R411-L469 PolarHBondContact NE-O 2.99Å
412G97.1Very high98.2Very high1 Ų113 Ų131%0.016%0.063CC..THydrogen-bonded Turntrans72.917.3-179.800000114.7E363 K364 M410E363-G412 CarbonylContact C-O 3.58Å; E363-G412 WeakPolarHBondContact CB-O 2.95Å; K364-G412 PolarHBondContact N-O 3.15Å; M410-G412 PolarHBondContact O-N 3.28Å
413E97.2Very high98.2Very high18 Ų1814.1 Ų14.18%0.0847%0.069CC..EExtended strand (participates in β ladder)trans-122.3134.9170.2-63.3-169.6-149.200109K364 Y409 M410 R411 L469K364-E413 WeakPolarHBondContact CE-OE1 3.3Å; K364-E413 HydrophobicContact CG-CG 4.37Å; K364-E413 IonicContact NZ-OE1 2.89Å; K364-E413 PolarHBondContact NZ-OE1 2.69Å; Y409-E413 CarbonylContact C-O 3.59Å; Y409-E413 WeakPolarHBondContact CA-O 3.32Å; M410-E413 PolarHBondContact N-O 2.9Å; M410-E413 PolarHBondContact O-N 3.33Å; R411-E413 VanDerWaalsContact C-N 3.28Å; R411-E413 PolarHBondContact O-N 3.46Å; E413-L469 HydrophobicContact CB-CD1 3.8Å; E413-L469 HydrophobicContact CB-CD2 3.9Å; E413-L469 HydrophobicContact CG-CD2 4.14Å
414E97.1Very high98.2Very high52 Ų5217.6 Ų17.624%0.2439%0.088CC..EExtended strand (participates in β ladder)trans-55.4147.6177.9-176.7-139.6153.800110.3D407 M408 Y409 R465D407-E414 HydrophobicContact CB-CG 4.23Å; M408-E414 CarbonylContact O-C 3.6Å; M408-E414 WeakPolarHBondContact O-CA 3.28Å; Y409-E414 HydrophobicContact CD1-CB 4.15Å; Y409-E414 VanDerWaalsContact CD1-N 3.31Å; Y409-E414 HydrophobicContact CE1-CB 3.8Å; E414-R465 PolarHBondContact O-NE 2.95Å; E414-R465 PolarHBondContact O-NH1 2.96Å; E414-R465 PolarHBondContact O-NH2 2.85Å; E414-R465 IonicContact OE2-NH2 3.77Å; E414-R465 PolarHBondContact OE2-NH2 3.47Å; E414-R465 VanDerWaalsContact OE2-NH2 3.11Å
415I97.4Very high98.1Very high4 Ų418.1 Ų18.12%0.0219%0.092CC..EExtended strand (participates in β ladder)trans-132.1-20172.454.5141.6000113M300 F378 M408 M410 I461 G462 R465 V466 L469M300-I415 HydrophobicContact CE-CD1 3.68Å; F378-I415 HydrophobicContact CE2-CD1 4.19Å; M408-I415 HydrophobicContact CB-CD1 4.4Å; M408-I415 HydrophobicContact CB-CG1 4.17Å; M408-I415 VanDerWaalsContact O-CG1 3.23Å; M408-I415 WeakPolarHBondContact O-CG1 3.41Å; M408-I415 PolarHBondContact O-N 2.72Å; M410-I415 HydrophobicContact CB-CG2 3.83Å; M410-I415 HydrophobicContact CG-CB 4.48Å; M410-I415 HydrophobicContact CG-CD1 3.78Å; M410-I415 HydrophobicContact CG-CG1 3.96Å; M410-I415 HydrophobicContact CG-CG2 3.8Å; M410-I415 HydrophobicContact SD-CB 4.46Å; M410-I415 HydrophobicContact SD-CD1 3.7Å; M410-I415 HydrophobicContact SD-CG1 4.28Å; M410-I415 HydrophobicContact SD-CG2 3.8Å; I415-I461 WeakPolarHBondContact O-CA 3.42Å; I415-G462 PolarHBondContact O-N 3.31Å; I415-R465 HydrophobicContact CG2-CB 4.48Å; I415-V466 HydrophobicContact CB-CG2 4.13Å; I415-V466 HydrophobicContact CD1-CG2 4.01Å; I415-V466 HydrophobicContact CG2-CG2 4.29Å; I415-L469 HydrophobicContact CG2-CD1 3.44Å; I415-L469 VanDerWaalsContact CG2-CD1 3.44Å
416L98Very high98.1Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-143.4136.4-176.4179.7159.2000108.3I296 Y406 D407 M408 G460 I461I296-L416 HydrophobicContact CD1-CD1 4.29Å; I296-L416 HydrophobicContact CG2-CD1 3.44Å; I296-L416 VanDerWaalsContact CG2-CD1 3.44Å; Y406-L416 HydrophobicContact CD2-CD2 4.05Å; Y406-L416 HydrophobicContact CE2-CD2 3.82Å; D407-L416 CarbonylContact C-O 3.52Å; D407-L416 WeakPolarHBondContact CA-O 3.45Å; D407-L416 WeakPolarHBondContact CB-O 3.44Å; M408-L416 HydrophobicContact CB-CB 4.05Å; M408-L416 HydrophobicContact CG-CB 4.24Å; M408-L416 HydrophobicContact CG-CD1 4.43Å; M408-L416 HydrophobicContact CG-CD2 4.1Å; M408-L416 PolarHBondContact N-O 3.02Å; M408-L416 HydrophobicContact SD-CD1 4.04Å; L416-G460 VanDerWaalsContact CA-O 3.31Å; L416-G460 WeakPolarHBondContact CA-O 3.35Å; L416-I461 HydrophobicContact CB-CG1 4.08Å; L416-I461 HydrophobicContact CD1-CD1 4.07Å; L416-I461 HydrophobicContact CD1-CG1 3.56Å; L416-I461 HydrophobicContact CG-CG1 4.08Å
417S97Very high98Very high45 Ų4525 Ų2532%0.31513%0.125SC..EExtended strand (participates in β ladder)trans-117132.2159-168.10000110.4D407 G459 G460D407-S417 WeakPolarHBondContact OD1-CA 3.44Å; D407-S417 WeakPolarHBondContact OD1-CB 3.47Å; D407-S417 PolarHBondContact OD1-OG 2.7Å; S417-G459 WeakPolarHBondContact O-CA 3.38Å; S417-G460 PolarHBondContact O-N 3.44Å
418G98.4Very high98Very high1 Ų124.6 Ų24.61%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-144.7161.2-173.500000112.8S405 Y406 G458S405-G418 WeakPolarHBondContact CA-O 3.49Å; S405-G418 WeakPolarHBondContact CB-O 3.39Å; Y406-G418 PolarHBondContact N-O 2.93Å; Y406-G418 PolarHBondContact O-N 3.16Å; Y406-G418 VanDerWaalsContact O-O 3.06Å; G418-G458 CarbonylContact C-O 3.21Å; G418-G458 WeakPolarHBondContact CA-O 3.33Å
419A98.7Very high97.9Very high1 Ų127.3 Ų27.31%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-162.9165.6171.400000112.3T393 N404 G457 G458T393-A419 HydrophobicContact CG2-CB 3.87Å; N404-A419 CarbonylContact O-C 3.59Å; N404-A419 VanDerWaalsContact O-CA 3.3Å; N404-A419 WeakPolarHBondContact O-CA 3.28Å; N404-A419 WeakPolarHBondContact O-CB 3.21Å; A419-G457 WeakPolarHBondContact O-CA 3.12Å; A419-G458 PolarHBondContact N-O 3.45Å; A419-G458 PolarHBondContact O-N 3.09Å; A419-G458 VanDerWaalsContact O-N 3.13Å
420Q98.8Very high97.8Very high20 Ų2032 Ų329%0.09316%0.157CC..EExtended strand (participates in β ladder)trans-65.3136.6150.2-179176.6-7.500110F285 Y289 M394 N404F285-Q420 HydrophobicContact CE1-CG 3.89Å; F285-Q420 HydrophobicContact CZ-CG 3.79Å; Y289-Q420 HydrophobicContact CG-CB 4.18Å; M394-Q420 HydrophobicContact CB-CB 3.97Å; M394-Q420 HydrophobicContact CB-CG 3.72Å; M394-Q420 HydrophobicContact CG-CG 4.15Å; M394-Q420 PolarHBondContact N-O 3.42Å; N404-Q420 HydrophobicContact CB-CB 3.77Å; N404-Q420 PolarHBondContact ND2-OE1 2.87Å; N404-Q420 PolarHBondContact O-N 2.83Å
421R98.3Very high97.6Very high10 Ų1033.2 Ų33.24%0.03816%0.162CC..EExtended strand (participates in β ladder)trans-99.2151.3178-52.7-54.7179.1-1605.1111.8Q241 Q245 E282 Y392 H423 H456Q241-R421 VanDerWaalsContact NE2-NE 3.14Å; Q245-R421 HydrophobicContact CG-CG 4.22Å; Q245-R421 VanDerWaalsContact OE1-CB 3.23Å; Q245-R421 VanDerWaalsContact OE1-CG 3.29Å; E282-R421 VanDerWaalsContact OE1-CG 3.22Å; E282-R421 WeakPolarHBondContact OE1-CG 3.39Å; E282-R421 IonicContact OE1-NE 3.7Å; Y392-R421 VanDerWaalsContact CE2-NH1 3.3Å; Y392-R421 WeakPolarHBondContact O-CA 3.41Å; R421-H423 PolarHBondContact O-N 3.46Å; R421-H456 WeakPolarHBondContact CB-NE2 3.39Å; R421-H456 PolarHBondContact N-O 3Å
422I98.4Very high97.4Very high0 Ų030.2 Ų30.20%015%0.151CC..  trans-73.4114.1173-57.6166.7000108.4F391 Y392 M394 D424 L427 L428 R431F391-I422 VanDerWaalsContact O-CD1 3.28Å; F391-I422 WeakPolarHBondContact O-CD1 3.45Å; Y392-I422 PolarHBondContact O-N 3.33Å; M394-I422 HydrophobicContact CB-CG1 4.45Å; M394-I422 HydrophobicContact CE-CB 4.5Å; M394-I422 HydrophobicContact CE-CG1 4.42Å; M394-I422 HydrophobicContact SD-CG1 4.27Å; I422-D424 WeakPolarHBondContact CG2-O 3.39Å; I422-L427 HydrophobicContact CD1-CG 4.33Å; I422-L427 HydrophobicContact CG2-CB 3.91Å; I422-L427 HydrophobicContact CG2-CD2 4Å; I422-L427 HydrophobicContact CG2-CG 3.87Å; I422-L428 HydrophobicContact CB-CB 4.34Å; I422-L428 HydrophobicContact CB-CD1 4.17Å; I422-L428 HydrophobicContact CD1-CD1 4.47Å; I422-L428 HydrophobicContact CG2-CB 3.81Å; I422-R431 HydrophobicContact CD1-CB 3.96Å; I422-R431 HydrophobicContact CD1-CG 3.63Å
423H98.3Very high97.3Very high54 Ų5435.5 Ų35.525%0.2518%0.175CC..  trans-99.3-12.4177.657.8-79.7000112.6R421 C453R421-H423 PolarHBondContact O-N 3.46Å; H423-C453 HydrophobicContact CB-CB 4.46Å
424D98.3Very high97.2Very high73 Ų7340.6 Ų40.639%0.3920%0.199SC..  trans-82.7120172.3177.9-98.8000110.3I422 E426 L427 L428I422-D424 WeakPolarHBondContact CG2-O 3.39Å; D424-E426 PolarHBondContact O-N 2.89Å; D424-E426 WeakPolarHBondContact OD1-CB 2.97Å; D424-E426 PolarHBondContact OD1-N 3.41Å; D424-E426 VanDerWaalsContact OD1-N 3.11Å; D424-L427 HydrophobicContact CB-CB 4.22Å; D424-L427 WeakPolarHBondContact OD1-CB 3.3Å; D424-L427 PolarHBondContact OD1-N 2.83Å; D424-L428 VanDerWaalsContact O-CB 3.3Å; D424-L428 WeakPolarHBondContact O-CB 3.46Å; D424-L428 PolarHBondContact O-N 3.11Å
425P97.7Very high96.9Very high28 Ų2841 Ų4118%0.18220%0.201CC..Hα-helixtrans-66.8-24.8-173.626-34.9000113.4K429 I446 F449 K450P425-K429 VanDerWaalsContact O-CG 3.29Å; P425-K429 WeakPolarHBondContact O-CG 3.37Å; P425-K429 PolarHBondContact O-N 3.23Å; P425-I446 HydrophobicContact CB-CG2 4.32Å; P425-F449 HydrophobicContact CB-CB 4.35Å; P425-K450 HydrophobicContact CB-CG 4.24Å; P425-K450 HydrophobicContact CG-CG 4.44Å
426E97.8Very high96.6Very high95 Ų9548.1 Ų48.144%0.44424%0.238SC..Hα-helixtrans-80.1-46.7-178.3-169.755.2-150.900111D424 L428 K429 Q430D424-E426 PolarHBondContact O-N 2.89Å; D424-E426 WeakPolarHBondContact OD1-CB 2.97Å; D424-E426 PolarHBondContact OD1-N 3.41Å; D424-E426 VanDerWaalsContact OD1-N 3.11Å; E426-L428 VanDerWaalsContact C-N 3.25Å; E426-L428 PolarHBondContact O-N 3.26Å; E426-K429 PolarHBondContact O-N 3.31Å; E426-K429 IonicContact OE2-NZ 3.47Å; E426-K429 PolarHBondContact OE2-NZ 2.83Å; E426-Q430 WeakPolarHBondContact O-CG 3.35Å; E426-Q430 PolarHBondContact O-N 3.12Å
427L97.8Very high96.1Very high49 Ų4949.3 Ų49.326%0.25725%0.245SC..Hα-helixtrans-59.6-38.4170.9-179.459.2000111.4M394 I422 D424 K429 Q430 R431M394-L427 HydrophobicContact SD-CD2 3.99Å; I422-L427 HydrophobicContact CD1-CG 4.33Å; I422-L427 HydrophobicContact CG2-CB 3.91Å; I422-L427 HydrophobicContact CG2-CD2 4Å; I422-L427 HydrophobicContact CG2-CG 3.87Å; D424-L427 HydrophobicContact CB-CB 4.22Å; D424-L427 WeakPolarHBondContact OD1-CB 3.3Å; D424-L427 PolarHBondContact OD1-N 2.83Å; L427-K429 PolarHBondContact O-N 2.85Å; L427-Q430 PolarHBondContact O-N 3.23Å; L427-R431 HydrophobicContact CD1-CG 4.21Å; L427-R431 WeakPolarHBondContact O-CG 3.42Å; L427-R431 PolarHBondContact O-N 3.18Å
428L97.1Very high95.7Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-62.8-42.2178-178.262000111.7F391 I422 D424 E426 R431 A432 Y445 I446 F449F391-L428 HydrophobicContact CD2-CD1 3.88Å; F391-L428 HydrophobicContact CE2-CD1 3.68Å; F391-L428 HydrophobicContact CE2-CG 4.42Å; I422-L428 HydrophobicContact CB-CB 4.34Å; I422-L428 HydrophobicContact CB-CD1 4.17Å; I422-L428 HydrophobicContact CD1-CD1 4.47Å; I422-L428 HydrophobicContact CG2-CB 3.81Å; D424-L428 VanDerWaalsContact O-CB 3.3Å; D424-L428 WeakPolarHBondContact O-CB 3.46Å; D424-L428 PolarHBondContact O-N 3.11Å; E426-L428 VanDerWaalsContact C-N 3.25Å; E426-L428 PolarHBondContact O-N 3.26Å; L428-R431 PolarHBondContact O-N 3.18Å; L428-A432 WeakPolarHBondContact O-CB 3.33Å; L428-A432 PolarHBondContact O-N 3.48Å; L428-Y445 HydrophobicContact CD1-CE1 4.21Å; L428-Y445 HydrophobicContact CD2-CD1 4.33Å; L428-Y445 HydrophobicContact CD2-CE1 3.7Å; L428-Y445 HydrophobicContact CG-CE1 4.4Å; L428-I446 HydrophobicContact CD2-CG1 4.05Å; L428-I446 HydrophobicContact CG-CG1 4.36Å; L428-F449 HydrophobicContact CD2-CD2 3.67Å; L428-F449 HydrophobicContact CD2-CE2 3.7Å; L428-F449 HydrophobicContact CD2-CG 4.44Å
429K96.7Very high95.4Very high58 Ų5853 Ų5325%0.25226%0.26SS..Hα-helixtrans-62.6-48.4173.6-73.7167.5-170.4170.80111.5P425 E426 L427 R431 A432 E433 L439 I446P425-K429 VanDerWaalsContact O-CG 3.29Å; P425-K429 WeakPolarHBondContact O-CG 3.37Å; P425-K429 PolarHBondContact O-N 3.23Å; E426-K429 PolarHBondContact O-N 3.31Å; E426-K429 IonicContact OE2-NZ 3.47Å; E426-K429 PolarHBondContact OE2-NZ 2.83Å; L427-K429 PolarHBondContact O-N 2.85Å; K429-R431 VanDerWaalsContact C-N 3.26Å; K429-R431 PolarHBondContact O-N 3.36Å; K429-A432 WeakPolarHBondContact O-CB 3.44Å; K429-A432 PolarHBondContact O-N 2.88Å; K429-A432 VanDerWaalsContact O-N 3.1Å; K429-E433 WeakPolarHBondContact O-CG 3.38Å; K429-E433 PolarHBondContact O-N 3.32Å; K429-L439 HydrophobicContact CB-CD1 4.49Å; K429-L439 HydrophobicContact CG-CD1 4.44Å; K429-I446 HydrophobicContact CD-CG2 4.49Å; K429-I446 HydrophobicContact CG-CD1 3.96Å; K429-I446 HydrophobicContact CG-CG2 3.97Å
430Q97Very high95Very high101 Ų10161.1 Ų61.147%0.47230%0.295SS..Hα-helixtrans-57.6-41.7179.8-70.117116.400111.6E426 L427 H434E426-Q430 WeakPolarHBondContact O-CG 3.35Å; E426-Q430 PolarHBondContact O-N 3.12Å; L427-Q430 PolarHBondContact O-N 3.23Å; Q430-H434 WeakPolarHBondContact O-CB 3.25Å; Q430-H434 PolarHBondContact O-N 3.06Å
431R95.6Very high94.4Very high25 Ų2566.7 Ų66.79%0.09432%0.319CS..Hα-helixtrans-71.1-37.9176.4-68.6-64.7-60.9152.5-0.6112.7F391 I422 L427 L428 K429 H434 H435F391-R431 WeakPolarHBondContact O-CB 3.37Å; I422-R431 HydrophobicContact CD1-CB 3.96Å; I422-R431 HydrophobicContact CD1-CG 3.63Å; L427-R431 HydrophobicContact CD1-CG 4.21Å; L427-R431 WeakPolarHBondContact O-CG 3.42Å; L427-R431 PolarHBondContact O-N 3.18Å; L428-R431 PolarHBondContact O-N 3.18Å; K429-R431 VanDerWaalsContact C-N 3.26Å; K429-R431 PolarHBondContact O-N 3.36Å; R431-H434 PolarHBondContact NH1-CD2 2.98Å; R431-H434 PolarHBondContact NH1-NE2 2.93Å; R431-H434 PolarHBondContact O-N 3.37Å; R431-H435 PolarHBondContact NH2-NE2 3.32Å; R431-H435 PolarHBondContact O-CD2 2.89Å; R431-H435 VanDerWaalsContact O-CD2 3.31Å; R431-H435 PolarHBondContact O-N 3.39Å; R431-H435 VanDerWaalsContact O-N 3.07Å
432A93.6Very high93.9Very high0 Ų066.6 Ų66.60%032%0.319CS..Hα-helixtrans-61.2-44.1173.500000111.6F391 L428 K429 H435 N436 I437 L439 I442F391-A432 HydrophobicContact CD2-CB 3.65Å; F391-A432 HydrophobicContact CE2-CB 4.03Å; F391-A432 HydrophobicContact CG-CB 4.38Å; L428-A432 WeakPolarHBondContact O-CB 3.33Å; L428-A432 PolarHBondContact O-N 3.48Å; K429-A432 WeakPolarHBondContact O-CB 3.44Å; K429-A432 PolarHBondContact O-N 2.88Å; K429-A432 VanDerWaalsContact O-N 3.1Å; A432-H435 CarbonylContact O-C 3.48Å; A432-H435 PolarHBondContact O-N 3.01Å; A432-N436 PolarHBondContact O-N 3Å; A432-I437 HydrophobicContact CB-CB 4.21Å; A432-I437 WeakPolarHBondContact O-CB 3.35Å; A432-I437 PolarHBondContact O-N 3.41Å; A432-L439 HydrophobicContact CB-CD2 3.61Å; A432-I442 HydrophobicContact CB-CD1 3.93Å
433E94.8Very high93.6Very high111 Ų11172 Ų7252%0.51934%0.344SS..Hα-helixtrans-63-43.3175.4-71176.1155.700111.8K429 H435 N436 L439K429-E433 WeakPolarHBondContact O-CG 3.38Å; K429-E433 PolarHBondContact O-N 3.32Å; E433-H435 PolarHBondContact O-N 3.04Å; E433-N436 WeakPolarHBondContact O-CA 3.49Å; E433-N436 PolarHBondContact O-N 2.95Å; E433-L439 HydrophobicContact CG-CD1 3.96Å; E433-L439 HydrophobicContact CG-CD2 4.29Å; E433-L439 HydrophobicContact CG-CG 4.23Å; E433-L439 WeakPolarHBondContact OE1-CD1 3.41Å
434H93.4Very high93.3Very high126 Ų12673 Ų7358%0.58336%0.363SS*.Hα-helixtrans-58.1-34.4174.4179.488.2000112.7Q430 R431 N436Q430-H434 WeakPolarHBondContact O-CB 3.25Å; Q430-H434 PolarHBondContact O-N 3.06Å; R431-H434 PolarHBondContact NH1-CD2 2.98Å; R431-H434 PolarHBondContact NH1-NE2 2.93Å; R431-H434 PolarHBondContact O-N 3.37Å; H434-N436 VanDerWaalsContact C-N 3.28Å
435H91.6Very high93.1Very high61 Ų6169.9 Ų69.928%0.28235%0.346SS..THydrogen-bonded Turntrans-85.37.2175-82.9-103.2000113.7R389 F391 R431 A432 E433 I437R389-H435 PolarHBondContact O-CE1 2.74Å; R389-H435 PolarHBondContact O-NE2 2.7Å; F391-H435 HydrophobicContact CB-CB 3.91Å; R431-H435 PolarHBondContact NH2-NE2 3.32Å; R431-H435 PolarHBondContact O-CD2 2.89Å; R431-H435 VanDerWaalsContact O-CD2 3.31Å; R431-H435 PolarHBondContact O-N 3.39Å; R431-H435 VanDerWaalsContact O-N 3.07Å; A432-H435 CarbonylContact O-C 3.48Å; A432-H435 PolarHBondContact O-N 3.01Å; E433-H435 PolarHBondContact O-N 3.04Å; H435-I437 VanDerWaalsContact C-N 3.25Å; H435-I437 HydrophobicContact CB-CD1 3.99Å; H435-I437 HydrophobicContact CB-CG1 3.99Å; H435-I437 PolarHBondContact O-N 3.11Å
436N91.5Very high92.9Very high153 Ų15368.8 Ų68.882%0.81834%0.338SS*.THydrogen-bonded Turntrans57.234.2-176.8-55.5-72.3000113.8A432 E433 H434A432-N436 PolarHBondContact O-N 3Å; E433-N436 WeakPolarHBondContact O-CA 3.49Å; E433-N436 PolarHBondContact O-N 2.95Å; H434-N436 VanDerWaalsContact C-N 3.28Å
437I87.8Confident92.9Very high25 Ų2566.2 Ų66.213%0.12833%0.327CS..  trans-86.5129.7177.3-59.6175.8000109.6F391 A432 H435 L439 I442F391-I437 HydrophobicContact CB-CD1 3.77Å; F391-I437 HydrophobicContact CD1-CD1 3.05Å; F391-I437 HydrophobicContact CD2-CD1 4.12Å; F391-I437 HydrophobicContact CE1-CD1 3.52Å; F391-I437 HydrophobicContact CE2-CD1 4.49Å; F391-I437 HydrophobicContact CG-CD1 3.38Å; F391-I437 HydrophobicContact CZ-CD1 4.23Å; A432-I437 HydrophobicContact CB-CB 4.21Å; A432-I437 WeakPolarHBondContact O-CB 3.35Å; A432-I437 PolarHBondContact O-N 3.41Å; H435-I437 VanDerWaalsContact C-N 3.25Å; H435-I437 HydrophobicContact CB-CD1 3.99Å; H435-I437 HydrophobicContact CB-CG1 3.99Å; H435-I437 PolarHBondContact O-N 3.11Å; I437-L439 PolarHBondContact O-N 3.27Å; I437-L439 VanDerWaalsContact O-N 3.07Å; I437-I442 HydrophobicContact CG2-CD1 3.78Å; I437-I442 HydrophobicContact CG2-CG1 4.22Å; I437-I442 HydrophobicContact CG2-CG2 4.36Å
438D88.7Confident92.8Very high76 Ų7665 Ų6541%0.40632%0.323SS..  trans-67.4105.6174.9179.71.7000110.8K440 K441D438-K440 PolarHBondContact O-N 3.22Å; D438-K440 VanDerWaalsContact O-N 3.11Å; D438-K440 WeakPolarHBondContact OD1-CB 3.49Å; D438-K440 PolarHBondContact OD1-N 3.26Å; D438-K441 HydrophobicContact CB-CD 4.11Å; D438-K441 HydrophobicContact CB-CG 4.16Å; D438-K441 WeakPolarHBondContact O-CB 3.45Å; D438-K441 PolarHBondContact O-N 2.92Å; D438-K441 WeakPolarHBondContact OD2-CE 3.46Å
439L90.9Very high92.8Very high47 Ų4765.2 Ų65.225%0.24632%0.324CS..G310 helixtrans-55.3-30.4-178.5-62.4-174.7000113.1K429 A432 E433 I437 K441 I442 E443 I446K429-L439 HydrophobicContact CB-CD1 4.49Å; K429-L439 HydrophobicContact CG-CD1 4.44Å; A432-L439 HydrophobicContact CB-CD2 3.61Å; E433-L439 HydrophobicContact CG-CD1 3.96Å; E433-L439 HydrophobicContact CG-CD2 4.29Å; E433-L439 HydrophobicContact CG-CG 4.23Å; E433-L439 WeakPolarHBondContact OE1-CD1 3.41Å; I437-L439 PolarHBondContact O-N 3.27Å; I437-L439 VanDerWaalsContact O-N 3.07Å; L439-K441 VanDerWaalsContact C-N 3.25Å; L439-K441 PolarHBondContact O-N 3.46Å; L439-I442 HydrophobicContact CD2-CD1 4.46Å; L439-I442 CarbonylContact O-C 3.49Å; L439-I442 PolarHBondContact O-N 2.92Å; L439-E443 WeakPolarHBondContact O-CA 3.38Å; L439-E443 PolarHBondContact O-N 2.77Å; L439-I446 HydrophobicContact CD2-CD1 3.89Å
440K90.5Very high92.8Very high172 Ų17267 Ų6775%0.74833%0.332SS*.G310 helixtrans-65.3-31178.7-67.7-178177.4178.20112.2D438 I442D438-K440 PolarHBondContact O-N 3.22Å; D438-K440 VanDerWaalsContact O-N 3.11Å; D438-K440 WeakPolarHBondContact OD1-CB 3.49Å; D438-K440 PolarHBondContact OD1-N 3.26Å; K440-I442 VanDerWaalsContact C-N 3.32Å
441K86.2Confident92.8Very high136 Ų13671.6 Ų71.659%0.59135%0.346SS*.G310 helixtrans-75.2-24.3-180-66.9-177.2-175.51770112.8A216 D438 L439A216-K441 HydrophobicContact CB-CB 3.95Å; A216-K441 HydrophobicContact CB-CD 4.41Å; A216-K441 HydrophobicContact CB-CG 4.4Å; D438-K441 HydrophobicContact CB-CD 4.11Å; D438-K441 HydrophobicContact CB-CG 4.16Å; D438-K441 WeakPolarHBondContact O-CB 3.45Å; D438-K441 PolarHBondContact O-N 2.92Å; D438-K441 WeakPolarHBondContact OD2-CE 3.46Å; L439-K441 VanDerWaalsContact C-N 3.25Å; L439-K441 PolarHBondContact O-N 3.46Å
442I87.9Confident92.7Very high8 Ų873 Ų734%0.04137%0.368CS..SBendtrans-115.313.8-178.861.6163.7000112.6F391 A432 I437 L439 K440 A444 Y445 I446F391-I442 HydrophobicContact CE2-CD1 3.81Å; F391-I442 HydrophobicContact CZ-CD1 3.92Å; A432-I442 HydrophobicContact CB-CD1 3.93Å; I437-I442 HydrophobicContact CG2-CD1 3.78Å; I437-I442 HydrophobicContact CG2-CG1 4.22Å; I437-I442 HydrophobicContact CG2-CG2 4.36Å; L439-I442 HydrophobicContact CD2-CD1 4.46Å; L439-I442 CarbonylContact O-C 3.49Å; L439-I442 PolarHBondContact O-N 2.92Å; K440-I442 VanDerWaalsContact C-N 3.32Å; I442-A444 VanDerWaalsContact C-N 3.34Å; I442-A444 PolarHBondContact O-N 3.06Å; I442-Y445 HydrophobicContact CB-CD1 4.48Å; I442-Y445 WeakPolarHBondContact O-CA 3.38Å; I442-Y445 WeakPolarHBondContact O-CB 3.38Å; I442-Y445 PolarHBondContact O-N 2.98Å; I442-I446 HydrophobicContact CD1-CD1 3.73Å; I442-I446 HydrophobicContact CD1-CG1 4.18Å; I442-I446 HydrophobicContact CG1-CD1 3.82Å; I442-I446 HydrophobicContact CG1-CG1 4.34Å; I442-I446 PolarHBondContact O-N 3.07Å
443E91.8Very high92.9Very high113 Ų11373.6 Ų73.653%0.52837%0.372SS..Hα-helixtrans-56.2-48.1-177.1-178.6174.7-148.300111.2L439 Y445 I446 D447L439-E443 WeakPolarHBondContact O-CA 3.38Å; L439-E443 PolarHBondContact O-N 2.77Å; E443-Y445 PolarHBondContact O-N 3.31Å; E443-I446 PolarHBondContact O-N 2.7Å; E443-D447 VanDerWaalsContact O-CB 3.25Å; E443-D447 WeakPolarHBondContact O-CB 3.35Å; E443-D447 VanDerWaalsContact O-CG 3.25Å; E443-D447 PolarHBondContact O-N 3.5Å
444A92.4Very high93.1Very high77 Ų7770.4 Ų70.464%0.63636%0.361SS*.Hα-helixtrans-59.6-32.6177.700000113.3I442 S448I442-A444 VanDerWaalsContact C-N 3.34Å; I442-A444 PolarHBondContact O-N 3.06Å; A444-S448 PolarHBondContact O-N 3.36Å
445Y94Very high93.3Very high7 Ų766.2 Ų66.23%0.02735%0.345CS..Hα-helixtrans-72.5-49.7175.9164.2-105.4000110.7L242 Q245 M246 F391 L428 I442 E443 D447 S448 F449L242-Y445 HydrophobicContact CB-CD2 3.95Å; L242-Y445 HydrophobicContact CB-CE2 4.31Å; L242-Y445 HydrophobicContact CD2-CD1 4.11Å; L242-Y445 HydrophobicContact CD2-CD2 3.72Å; L242-Y445 HydrophobicContact CD2-CE1 4.05Å; L242-Y445 HydrophobicContact CD2-CE2 3.63Å; L242-Y445 HydrophobicContact CD2-CG 3.95Å; L242-Y445 HydrophobicContact CG-CD2 4.33Å; Q245-Y445 HydrophobicContact CB-CE2 4.16Å; Q245-Y445 VanDerWaalsContact CD-OH 3.23Å; Q245-Y445 PolarHBondContact NE2-OH 2.74Å; Q245-Y445 PolarHBondContact OE1-OH 2.98Å; M246-Y445 HydrophobicContact CG-CD2 4.3Å; F391-Y445 HydrophobicContact CE2-CE1 4.11Å; F391-Y445 HydrophobicContact CZ-CE1 4.03Å; L428-Y445 HydrophobicContact CD1-CE1 4.21Å; L428-Y445 HydrophobicContact CD2-CD1 4.33Å; L428-Y445 HydrophobicContact CD2-CE1 3.7Å; L428-Y445 HydrophobicContact CG-CE1 4.4Å; I442-Y445 HydrophobicContact CB-CD1 4.48Å; I442-Y445 WeakPolarHBondContact O-CA 3.38Å; I442-Y445 WeakPolarHBondContact O-CB 3.38Å; I442-Y445 PolarHBondContact O-N 2.98Å; E443-Y445 PolarHBondContact O-N 3.31Å; Y445-D447 VanDerWaalsContact C-N 3.26Å; Y445-D447 PolarHBondContact O-N 3.46Å; Y445-S448 WeakPolarHBondContact O-CB 3.22Å; Y445-S448 PolarHBondContact O-N 2.88Å; Y445-S448 VanDerWaalsContact O-N 3.17Å; Y445-S448 PolarHBondContact O-OG 3.37Å; Y445-F449 HydrophobicContact CD1-CE2 4.21Å; Y445-F449 AromaticContact CD2-CE2 3.74Å; Y445-F449 HydrophobicContact CD2-CE2 3.74Å; Y445-F449 HydrophobicContact CD2-CZ 4.18Å; Y445-F449 AromaticContact CE1-CE2 3.88Å; Y445-F449 HydrophobicContact CE1-CE2 3.88Å; Y445-F449 HydrophobicContact CE1-CZ 4.47Å; Y445-F449 AromaticContact CE2-CE2 3.38Å; Y445-F449 HydrophobicContact CE2-CE2 3.38Å; Y445-F449 AromaticContact CE2-CZ 3.45Å; Y445-F449 HydrophobicContact CE2-CZ 3.45Å; Y445-F449 VanDerWaalsContact CE2-CZ 3.45Å; Y445-F449 HydrophobicContact CG-CE2 4.15Å; Y445-F449 AromaticContact CZ-CE2 3.44Å; Y445-F449 VanDerWaalsContact CZ-CE2 3.44Å; Y445-F449 AromaticContact CZ-CZ 3.61Å; Y445-F449 WeakPolarHBondContact O-CD2 3.4Å; Y445-F449 WeakPolarHBondContact O-CE2 3.19Å
446I94.8Very high93.7Very high4 Ų463.3 Ų63.32%0.02133%0.332CS..Hα-helixtrans-59.4-40.7177.1-65.3170000110.9P425 L428 K429 L439 I442 E443 S448 F449P425-I446 HydrophobicContact CB-CG2 4.32Å; L428-I446 HydrophobicContact CD2-CG1 4.05Å; L428-I446 HydrophobicContact CG-CG1 4.36Å; K429-I446 HydrophobicContact CD-CG2 4.49Å; K429-I446 HydrophobicContact CG-CD1 3.96Å; K429-I446 HydrophobicContact CG-CG2 3.97Å; L439-I446 HydrophobicContact CD2-CD1 3.89Å; I442-I446 HydrophobicContact CD1-CD1 3.73Å; I442-I446 HydrophobicContact CD1-CG1 4.18Å; I442-I446 HydrophobicContact CG1-CD1 3.82Å; I442-I446 HydrophobicContact CG1-CG1 4.34Å; I442-I446 PolarHBondContact O-N 3.07Å; E443-I446 PolarHBondContact O-N 2.7Å; I446-S448 PolarHBondContact O-N 2.81Å; I446-F449 PolarHBondContact O-N 3.28Å; I446-F449 VanDerWaalsContact O-N 3.09Å
447D96.3Very high94Very high42 Ų4256 Ų5623%0.22529%0.293CS..Hα-helixtrans-64.8-27.4-178.5-78.920.1000112.7E443 Y445 F449 K450 Y451E443-D447 VanDerWaalsContact O-CB 3.25Å; E443-D447 WeakPolarHBondContact O-CB 3.35Å; E443-D447 VanDerWaalsContact O-CG 3.25Å; E443-D447 PolarHBondContact O-N 3.5Å; Y445-D447 VanDerWaalsContact C-N 3.26Å; Y445-D447 PolarHBondContact O-N 3.46Å; D447-F449 PolarHBondContact O-N 3.46Å; D447-K450 HydrophobicContact CB-CD 4.32Å; D447-K450 WeakPolarHBondContact O-CB 3.29Å; D447-K450 PolarHBondContact O-N 3.09Å; D447-K450 WeakPolarHBondContact OD1-CE 3.44Å; D447-K450 IonicContact OD1-NZ 3.66Å; D447-K450 PolarHBondContact OD1-NZ 2.86Å; D447-K450 IonicContact OD2-NZ 2.98Å; D447-K450 PolarHBondContact OD2-NZ 3.35Å; D447-K450 VanDerWaalsContact OD2-NZ 3.13Å; D447-Y451 WeakPolarHBondContact O-CE2 3.38Å
448S96.5Very high94.6Very high24 Ų2454.8 Ų54.817%0.16829%0.286CS..Hα-helixtrans-62.1-25.6174.876.60000113.2A444 Y445 I446A444-S448 PolarHBondContact O-N 3.36Å; Y445-S448 WeakPolarHBondContact O-CB 3.22Å; Y445-S448 PolarHBondContact O-N 2.88Å; Y445-S448 VanDerWaalsContact O-N 3.17Å; Y445-S448 PolarHBondContact O-OG 3.37Å; I446-S448 PolarHBondContact O-N 2.81Å
449F97.2Very high95Very high4 Ų451.2 Ų51.22%0.01827%0.267CS..Hα-helixtrans-87.1-15.2179.4-57.1-84.9000113.6Q245 P425 L428 Y445 I446 D447 Y451 G452 C453 H456Q245-F449 HydrophobicContact CB-CE1 4.38Å; Q245-F449 HydrophobicContact CB-CZ 3.98Å; P425-F449 HydrophobicContact CB-CB 4.35Å; L428-F449 HydrophobicContact CD2-CD2 3.67Å; L428-F449 HydrophobicContact CD2-CE2 3.7Å; L428-F449 HydrophobicContact CD2-CG 4.44Å; Y445-F449 HydrophobicContact CD1-CE2 4.21Å; Y445-F449 AromaticContact CD2-CE2 3.74Å; Y445-F449 HydrophobicContact CD2-CE2 3.74Å; Y445-F449 HydrophobicContact CD2-CZ 4.18Å; Y445-F449 AromaticContact CE1-CE2 3.88Å; Y445-F449 HydrophobicContact CE1-CE2 3.88Å; Y445-F449 HydrophobicContact CE1-CZ 4.47Å; Y445-F449 AromaticContact CE2-CE2 3.38Å; Y445-F449 HydrophobicContact CE2-CE2 3.38Å; Y445-F449 AromaticContact CE2-CZ 3.45Å; Y445-F449 HydrophobicContact CE2-CZ 3.45Å; Y445-F449 VanDerWaalsContact CE2-CZ 3.45Å; Y445-F449 HydrophobicContact CG-CE2 4.15Å; Y445-F449 AromaticContact CZ-CE2 3.44Å; Y445-F449 VanDerWaalsContact CZ-CE2 3.44Å; Y445-F449 AromaticContact CZ-CZ 3.61Å; Y445-F449 WeakPolarHBondContact O-CD2 3.4Å; Y445-F449 WeakPolarHBondContact O-CE2 3.19Å; I446-F449 PolarHBondContact O-N 3.28Å; I446-F449 VanDerWaalsContact O-N 3.09Å; D447-F449 PolarHBondContact O-N 3.46Å; F449-Y451 PolarHBondContact O-N 2.96Å; F449-G452 PolarHBondContact O-N 2.91Å; F449-C453 HydrophobicContact CB-CB 4.25Å; F449-C453 HydrophobicContact CD1-CB 3.56Å; F449-C453 VanDerWaalsContact CD1-SG 3.52Å; F449-C453 HydrophobicContact CE1-CB 4.4Å; F449-C453 HydrophobicContact CG-CB 4.34Å; F449-H456 AromaticContact CE1-CE1 3.59Å; F449-H456 AromaticContact CE1-NE2 3.89Å
450K96.9Very high95.3Very high96 Ų9650 Ų5042%0.41727%0.267SS..THydrogen-bonded Turntrans-65.1-24.7-176.4-70.4176.7176.4167.50113.5P425 D447 G452P425-K450 HydrophobicContact CB-CG 4.24Å; P425-K450 HydrophobicContact CG-CG 4.44Å; D447-K450 HydrophobicContact CB-CD 4.32Å; D447-K450 WeakPolarHBondContact O-CB 3.29Å; D447-K450 PolarHBondContact O-N 3.09Å; D447-K450 WeakPolarHBondContact OD1-CE 3.44Å; D447-K450 IonicContact OD1-NZ 3.66Å; D447-K450 PolarHBondContact OD1-NZ 2.86Å; D447-K450 IonicContact OD2-NZ 2.98Å; D447-K450 PolarHBondContact OD2-NZ 3.35Å; D447-K450 VanDerWaalsContact OD2-NZ 3.13Å; K450-G452 VanDerWaalsContact C-N 3.29Å; K450-G452 PolarHBondContact O-N 3.41Å
451Y95.8Very high95.7Very high197 Ų19742 Ų4277%0.77323%0.232SC*.THydrogen-bonded Turntrans-94.820.1-174.2-52.8-67.8000113.3D447 F449D447-Y451 WeakPolarHBondContact O-CE2 3.38Å; F449-Y451 PolarHBondContact O-N 2.96Å
452G94.9Very high96.2Very high54 Ų5436 Ų3656%0.55721%0.209SC*.THydrogen-bonded Turntrans86.8100.7-177.100000110.8F449 K450F449-G452 PolarHBondContact O-N 2.91Å; K450-G452 VanDerWaalsContact C-N 3.29Å; K450-G452 PolarHBondContact O-N 3.41Å
453C97.6Very high96.7Very high13 Ų1336 Ų369%0.08821%0.209CC..  trans-113.8129.8171.7-178.40000108.9A249 H423 F449A249-C453 HydrophobicContact CB-CB 4.16Å; H423-C453 HydrophobicContact CB-CB 4.46Å; F449-C453 HydrophobicContact CB-CB 4.25Å; F449-C453 HydrophobicContact CD1-CB 3.56Å; F449-C453 VanDerWaalsContact CD1-SG 3.52Å; F449-C453 HydrophobicContact CE1-CB 4.4Å; F449-C453 HydrophobicContact CG-CB 4.34Å
454P98.4Very high97Very high44 Ų4431 Ų3129%0.28619%0.185SC..  trans-66.4158.9178.629-35.5000111.3I248 A284 H456I248-P454 HydrophobicContact CG2-CG 3.81Å; A284-P454 HydrophobicContact CB-CB 4.1Å; A284-P454 HydrophobicContact CB-CG 3.84Å; P454-H456 PolarHBondContact O-N 3.29Å; P454-H456 PolarHBondContact O-ND1 2.63Å
455P98.7Very high97.3Very high37 Ų3729 Ų2924%0.2416%0.162CC..  trans-58.9130.7167.327.1-33.9000109.8A284 F285A284-P455 WeakPolarHBondContact CA-O 3.48Å; F285-P455 HydrophobicContact CD2-CB 4.38Å; F285-P455 HydrophobicContact CE1-CB 4.22Å; F285-P455 HydrophobicContact CE2-CB 3.76Å; F285-P455 HydrophobicContact CE2-CG 4.32Å; F285-P455 HydrophobicContact CZ-CB 3.67Å; F285-P455 PolarHBondContact N-O 3.18Å
456H98.8Very high97.5Very high0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-148160.5-172.862-76.6000111.6Q245 I248 E282 M283 F285 R421 F449 P454Q245-H456 PolarHBondContact OE1-NE2 3.42Å; I248-H456 HydrophobicContact CG2-CB 3.79Å; E282-H456 IonicContact OE1-CD2 3.64Å; M283-H456 WeakPolarHBondContact O-CA 3.35Å; M283-H456 VanDerWaalsContact O-CB 3.28Å; M283-H456 WeakPolarHBondContact O-CB 3.42Å; F285-H456 VanDerWaalsContact CE1-C 3.43Å; F285-H456 WeakPolarHBondContact CE1-O 3.39Å; R421-H456 WeakPolarHBondContact CB-NE2 3.39Å; R421-H456 PolarHBondContact N-O 3Å; F449-H456 AromaticContact CE1-CE1 3.59Å; F449-H456 AromaticContact CE1-NE2 3.89Å; P454-H456 PolarHBondContact O-N 3.29Å; P454-H456 PolarHBondContact O-ND1 2.63Å
457G98.7Very high97.7Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-159171.4175.400000111.2E282 M283 A419E282-G457 WeakPolarHBondContact CA-O 3.29Å; E282-G457 VanDerWaalsContact OE1-CA 3.32Å; E282-G457 WeakPolarHBondContact OE1-CA 3.16Å; M283-G457 PolarHBondContact N-O 2.84Å; M283-G457 PolarHBondContact O-N 2.81Å; A419-G457 WeakPolarHBondContact O-CA 3.12Å
458G98.6Very high97.8Very high0 Ų026.7 Ų26.70%015%0.149CC..EExtended strand (participates in β ladder)trans-177.3-170.6-177.300000112L281 E282 Y406 G418 A419L281-G458 WeakPolarHBondContact O-CA 3.3Å; E282-G458 PolarHBondContact OE1-N 3.47Å; Y406-G458 PolarHBondContact OH-O 3.3Å; G418-G458 CarbonylContact C-O 3.21Å; G418-G458 WeakPolarHBondContact CA-O 3.33Å; A419-G458 PolarHBondContact N-O 3.45Å; A419-G458 PolarHBondContact O-N 3.09Å; A419-G458 VanDerWaalsContact O-N 3.13Å
459G98.1Very high97.9Very high0 Ų025.8 Ų25.80%014%0.143CC..EExtended strand (participates in β ladder)trans-154.8161.9179.600000111.4K244 L281 S417K244-G459 PolarHBondContact NZ-O 3.21Å; L281-G459 PolarHBondContact N-O 2.97Å; L281-G459 PolarHBondContact O-N 2.76Å; L281-G459 VanDerWaalsContact O-N 3.16Å; S417-G459 WeakPolarHBondContact O-CA 3.38Å
460G97.4Very high98Very high23 Ų2326.1 Ų26.124%0.23714%0.144CC..EExtended strand (participates in β ladder)trans-120.5131.217200000110D280 L416 S417D280-G460 WeakPolarHBondContact OD1-CA 3.18Å; L416-G460 VanDerWaalsContact CA-O 3.31Å; L416-G460 WeakPolarHBondContact CA-O 3.35Å; S417-G460 PolarHBondContact O-N 3.44Å
461I98Very high98Very high3 Ų321.8 Ų21.82%0.01513%0.126CC..EExtended strand (participates in β ladder)trans-111.7134.1-178.3-59.6156.9000109.4F196 G278 L279 M300 I415 L416 V466F196-I461 HydrophobicContact CD2-CD1 4.42Å; F196-I461 HydrophobicContact CE2-CD1 3.86Å; G278-I461 CarbonylContact C-O 3.57Å; G278-I461 WeakPolarHBondContact CA-O 3.03Å; L279-I461 HydrophobicContact CB-CB 4.12Å; L279-I461 HydrophobicContact CD1-CG2 4.32Å; L279-I461 PolarHBondContact N-O 3.27Å; L279-I461 WeakPolarHBondContact O-CB 3.28Å; L279-I461 PolarHBondContact O-N 3.45Å; M300-I461 HydrophobicContact SD-CD1 3.71Å; I415-I461 WeakPolarHBondContact O-CA 3.42Å; L416-I461 HydrophobicContact CB-CG1 4.08Å; L416-I461 HydrophobicContact CD1-CD1 4.07Å; L416-I461 HydrophobicContact CD1-CG1 3.56Å; L416-I461 HydrophobicContact CG-CG1 4.08Å; I461-V466 HydrophobicContact CG2-CG2 3.27Å
462G97.2Very high98.1Very high11 Ų1113.9 Ų13.911%0.11310%0.104CC..EExtended strand (participates in β ladder)trans-82.5112.7170.200000111.8I415 E464 R465 V466I415-G462 PolarHBondContact O-N 3.31Å; G462-E464 VanDerWaalsContact C-N 3.31Å; G462-E464 PolarHBondContact O-N 2.81Å; G462-R465 PolarHBondContact O-N 3.08Å; G462-R465 VanDerWaalsContact O-N 3.15Å; G462-V466 PolarHBondContact O-N 3.24Å
463L98.7Very high98.3Very high6 Ų611.7 Ų11.73%0.0318%0.079CC..Hα-helixtrans-54.9-46.5-178.9174.462.1000112.2Q189 I192 C193 I277 L279 R465 V466 T467Q189-L463 HydrophobicContact CG-CD1 3.83Å; Q189-L463 HydrophobicContact CG-CD2 3.65Å; Q189-L463 HydrophobicContact CG-CG 3.73Å; I192-L463 HydrophobicContact CB-CD1 4.01Å; I192-L463 HydrophobicContact CG2-CD1 3.59Å; C193-L463 VanDerWaalsContact SG-CD2 3.54Å; I277-L463 HydrophobicContact CB-CB 3.98Å; I277-L463 HydrophobicContact CB-CD2 3.81Å; I277-L463 HydrophobicContact CG1-CD2 4.33Å; I277-L463 HydrophobicContact CG2-CB 4.18Å; I277-L463 HydrophobicContact CG2-CD2 3.78Å; I277-L463 VanDerWaalsContact O-CB 3.32Å; I277-L463 WeakPolarHBondContact O-CB 3.26Å; I277-L463 PolarHBondContact O-N 2.92Å; L279-L463 HydrophobicContact CD1-CD1 4.16Å; L279-L463 HydrophobicContact CD2-CB 4.22Å; L279-L463 HydrophobicContact CD2-CD1 4.37Å; L279-L463 HydrophobicContact CG-CB 4.26Å; L463-R465 VanDerWaalsContact C-N 3.34Å; L463-V466 PolarHBondContact O-N 3.18Å; L463-T467 WeakPolarHBondContact O-CB 3.21Å; L463-T467 PolarHBondContact O-N 3.09Å; L463-T467 PolarHBondContact O-OG1 3.38Å
464E98.7Very high98.1Very high9 Ų915.3 Ų15.34%0.04211%0.105CC..Hα-helixtrans-66.5-38.4-178.6-63.890.2155.100111.2L273 F276 I277 G462 T467 M468 V476 T479L273-E464 HydrophobicContact CD1-CB 4.32Å; L273-E464 HydrophobicContact CD1-CG 4.17Å; F276-E464 WeakPolarHBondContact CA-OE1 3.46Å; F276-E464 WeakPolarHBondContact CB-OE2 3.36Å; I277-E464 PolarHBondContact N-OE1 3.26Å; I277-E464 PolarHBondContact N-OE2 3.31Å; G462-E464 VanDerWaalsContact C-N 3.31Å; G462-E464 PolarHBondContact O-N 2.81Å; E464-T467 PolarHBondContact O-N 3.28Å; E464-M468 WeakPolarHBondContact O-CB 3.49Å; E464-M468 PolarHBondContact O-N 3.34Å; E464-V476 HydrophobicContact CB-CG2 3.65Å; E464-T479 VanDerWaalsContact CG-O 3.3Å; E464-T479 WeakPolarHBondContact CG-O 3.34Å; E464-T479 PolarHBondContact O-OG1 3.45Å
465R97.4Very high98Very high36 Ų3614.5 Ų14.514%0.13610%0.098CC..Hα-helixtrans-66.4-45176.4-80.4-119.5-80.2-178.1-11.1111.8E414 I415 G462 L463 T467 M468 L469 V476E414-R465 PolarHBondContact O-NE 2.95Å; E414-R465 PolarHBondContact O-NH1 2.96Å; E414-R465 PolarHBondContact O-NH2 2.85Å; E414-R465 IonicContact OE2-NH2 3.77Å; E414-R465 PolarHBondContact OE2-NH2 3.47Å; E414-R465 VanDerWaalsContact OE2-NH2 3.11Å; I415-R465 HydrophobicContact CG2-CB 4.48Å; G462-R465 PolarHBondContact O-N 3.08Å; G462-R465 VanDerWaalsContact O-N 3.15Å; L463-R465 VanDerWaalsContact C-N 3.34Å; R465-T467 VanDerWaalsContact C-N 3.35Å; R465-T467 PolarHBondContact O-N 3.17Å; R465-M468 PolarHBondContact O-N 3.42Å; R465-L469 WeakPolarHBondContact O-CB 3.48Å; R465-L469 WeakPolarHBondContact O-CG 3.39Å; R465-L469 PolarHBondContact O-N 3.36Å; R465-V476 HydrophobicContact CG-CG2 4.48Å
466V98.6Very high98Very high2 Ų212.9 Ų12.91%0.0129%0.088CC..Hα-helixtrans-59.7-47.6175.1171.90000110.8I192 M300 M410 I415 I461 G462 L463 M468 L469 F470I192-V466 HydrophobicContact CD1-CG1 4.19Å; I192-V466 HydrophobicContact CG2-CG1 4.44Å; M300-V466 HydrophobicContact CE-CG1 4.24Å; M300-V466 HydrophobicContact CE-CG2 4.16Å; M410-V466 HydrophobicContact CE-CG1 4.38Å; M410-V466 HydrophobicContact SD-CB 4.31Å; M410-V466 HydrophobicContact SD-CG1 4.06Å; M410-V466 HydrophobicContact SD-CG2 4.13Å; I415-V466 HydrophobicContact CB-CG2 4.13Å; I415-V466 HydrophobicContact CD1-CG2 4.01Å; I415-V466 HydrophobicContact CG2-CG2 4.29Å; I461-V466 HydrophobicContact CG2-CG2 3.27Å; G462-V466 PolarHBondContact O-N 3.24Å; L463-V466 PolarHBondContact O-N 3.18Å; V466-M468 VanDerWaalsContact C-N 3.33Å; V466-M468 PolarHBondContact O-N 2.8Å; V466-L469 PolarHBondContact O-N 3.11Å; V466-F470 WeakPolarHBondContact O-CB 3.34Å; V466-F470 PolarHBondContact O-N 3.23Å
467T98.8Very high97.9Very high0 Ų013.6 Ų13.60%09%0.09CC..Hα-helixtrans-60.2-45.4178.3-50.20000110.9I185 Q189 I192 L463 E464 R465 L471 T479I185-T467 HydrophobicContact CG2-CG2 4.23Å; Q189-T467 HydrophobicContact CB-CG2 4.25Å; I192-T467 HydrophobicContact CD1-CG2 4.35Å; I192-T467 WeakPolarHBondContact CD1-OG1 3.22Å; L463-T467 WeakPolarHBondContact O-CB 3.21Å; L463-T467 PolarHBondContact O-N 3.09Å; L463-T467 PolarHBondContact O-OG1 3.38Å; E464-T467 PolarHBondContact O-N 3.28Å; R465-T467 VanDerWaalsContact C-N 3.35Å; R465-T467 PolarHBondContact O-N 3.17Å; T467-L471 HydrophobicContact CG2-CD1 3.99Å; T467-L471 WeakPolarHBondContact O-CB 3.3Å; T467-L471 WeakPolarHBondContact O-CG 3.29Å; T467-L471 PolarHBondContact O-N 3.23Å; T467-T479 HydrophobicContact CG2-CG2 3.65Å
468M98.6Very high97.9Very high1 Ų114 Ų141%0.0059%0.092CC..Hα-helixtrans-60.3-51.6-179.2179.9-172.680.100110.9E464 R465 V466 L471 G472 L473 N475 V476 T479E464-M468 WeakPolarHBondContact O-CB 3.49Å; E464-M468 PolarHBondContact O-N 3.34Å; R465-M468 PolarHBondContact O-N 3.42Å; V466-M468 VanDerWaalsContact C-N 3.33Å; V466-M468 PolarHBondContact O-N 2.8Å; M468-L471 PolarHBondContact O-N 3.26Å; M468-G472 PolarHBondContact O-N 3.19Å; M468-L473 HydrophobicContact CG-CB 3.94Å; M468-L473 WeakPolarHBondContact CG-O 3.37Å; M468-L473 PolarHBondContact O-N 2.81Å; M468-N475 VanDerWaalsContact SD-C 3.57Å; M468-V476 VanDerWaalsContact SD-CA 3.54Å; M468-V476 HydrophobicContact SD-CB 3.82Å; M468-V476 HydrophobicContact SD-CG2 4.48Å; M468-V476 PolarHBondContact SD-N 2.96Å; M468-T479 HydrophobicContact CB-CG2 4.12Å
469L98.4Very high97.9Very high6 Ų614 Ų143%0.0319%0.092CC..Hα-helixtrans-76.4-34.5-173.1-64.8165000112.1M410 R411 E413 I415 R465 V466 L471 G472M410-L469 HydrophobicContact CB-CB 3.73Å; M410-L469 HydrophobicContact CB-CD1 3.97Å; M410-L469 HydrophobicContact CB-CG 4.45Å; M410-L469 HydrophobicContact CE-CB 4.37Å; R411-L469 VanDerWaalsContact CD-O 3.23Å; R411-L469 WeakPolarHBondContact CD-O 3.47Å; R411-L469 PolarHBondContact NE-O 2.99Å; E413-L469 HydrophobicContact CB-CD1 3.8Å; E413-L469 HydrophobicContact CB-CD2 3.9Å; E413-L469 HydrophobicContact CG-CD2 4.14Å; I415-L469 HydrophobicContact CG2-CD1 3.44Å; I415-L469 VanDerWaalsContact CG2-CD1 3.44Å; R465-L469 WeakPolarHBondContact O-CB 3.48Å; R465-L469 WeakPolarHBondContact O-CG 3.39Å; R465-L469 PolarHBondContact O-N 3.36Å; V466-L469 PolarHBondContact O-N 3.11Å; L469-L471 VanDerWaalsContact C-N 3.31Å; L469-L471 PolarHBondContact O-N 3.01Å; L469-G472 PolarHBondContact O-N 3.49Å
470F98.8Very high97.9Very high11 Ų1114.4 Ų14.45%0.04810%0.095CC..Hα-helixtrans-57.6-47.2172.5-175.9-101.7000111F304 L307 Q308 I315 F327 M410 V466 G472F304-F470 HydrophobicContact CB-CE2 4.36Å; F304-F470 AromaticContact CD1-CD2 3.95Å; F304-F470 HydrophobicContact CD1-CD2 3.95Å; F304-F470 HydrophobicContact CD1-CE2 4.13Å; F304-F470 HydrophobicContact CE1-CD2 4.47Å; L307-F470 HydrophobicContact CB-CE1 3.95Å; L307-F470 HydrophobicContact CB-CE2 4.32Å; L307-F470 HydrophobicContact CB-CZ 3.59Å; L307-F470 HydrophobicContact CD1-CD1 4.07Å; L307-F470 HydrophobicContact CD1-CD2 4.26Å; L307-F470 HydrophobicContact CD1-CE1 3.83Å; L307-F470 HydrophobicContact CD1-CE2 4.03Å; L307-F470 HydrophobicContact CD1-CG 4.28Å; L307-F470 HydrophobicContact CD1-CZ 3.81Å; L307-F470 HydrophobicContact CG-CE1 4.49Å; L307-F470 HydrophobicContact CG-CZ 4.38Å; Q308-F470 HydrophobicContact CG-CZ 4.2Å; I315-F470 HydrophobicContact CD1-CE1 3.84Å; I315-F470 HydrophobicContact CD1-CZ 4.17Å; I315-F470 HydrophobicContact CG1-CE1 4.15Å; F327-F470 HydrophobicContact CB-CD2 3.99Å; F327-F470 HydrophobicContact CB-CE2 4.06Å; F327-F470 AromaticContact CD1-CD2 3.95Å; F327-F470 HydrophobicContact CD1-CD2 3.95Å; F327-F470 HydrophobicContact CD1-CE2 4.18Å; F327-F470 AromaticContact CG-CD2 3.92Å; F327-F470 HydrophobicContact CG-CD2 3.92Å; F327-F470 HydrophobicContact CG-CE2 4.31Å; M410-F470 HydrophobicContact CE-CB 3.82Å; M410-F470 HydrophobicContact CE-CD2 4.39Å; V466-F470 WeakPolarHBondContact O-CB 3.34Å; V466-F470 PolarHBondContact O-N 3.23Å; F470-G472 VanDerWaalsContact C-N 3.33Å; F470-G472 PolarHBondContact O-N 3.19Å
471L98.6Very high98Very high5 Ų517 Ų173%0.02610%0.102CC..Hα-helixtrans-82.1-6.6-178.1-62.5173.6000114.3I185 I188 I315 V318 S324 T467 M468 L469 L473I185-L471 HydrophobicContact CG1-CD1 4.08Å; I188-L471 HydrophobicContact CD1-CD1 4.21Å; I188-L471 HydrophobicContact CD1-CD2 3.71Å; I188-L471 HydrophobicContact CG2-CD1 4.39Å; I315-L471 HydrophobicContact CG1-CD2 4.34Å; V318-L471 HydrophobicContact CG1-CB 4.32Å; V318-L471 HydrophobicContact CG1-CD1 4.34Å; V318-L471 HydrophobicContact CG2-CD1 4.35Å; S324-L471 WeakPolarHBondContact CB-O 3.32Å; S324-L471 PolarHBondContact OG-O 3.33Å; T467-L471 HydrophobicContact CG2-CD1 3.99Å; T467-L471 WeakPolarHBondContact O-CB 3.3Å; T467-L471 WeakPolarHBondContact O-CG 3.29Å; T467-L471 PolarHBondContact O-N 3.23Å; M468-L471 PolarHBondContact O-N 3.26Å; L469-L471 VanDerWaalsContact C-N 3.31Å; L469-L471 PolarHBondContact O-N 3.01Å; L471-L473 VanDerWaalsContact C-N 3.33Å; L471-L473 HydrophobicContact CB-CD1 4.11Å; L471-L473 HydrophobicContact CB-CG 3.87Å; L471-L473 HydrophobicContact CD1-CD1 4.18Å
472G97.5Very high98Very high30 Ų3021 Ų2131%0.30912%0.119SC..THydrogen-bonded Turntrans68.830.3-177.600000113.4M468 L469 F470M468-G472 PolarHBondContact O-N 3.19Å; L469-G472 PolarHBondContact O-N 3.49Å; F470-G472 VanDerWaalsContact C-N 3.33Å; F470-G472 PolarHBondContact O-N 3.19Å
473L97.8Very high98Very high8 Ų820.6 Ų20.64%0.04212%0.115CC..  trans-79.6146.9177.7-59.9175.4000110.7I185 V318 Y322 M468 L471 L478 T479I185-L473 HydrophobicContact CD1-CD1 3.84Å; I185-L473 HydrophobicContact CG1-CD1 4.27Å; V318-L473 HydrophobicContact CG1-CD2 4.04Å; Y322-L473 HydrophobicContact CD1-CD2 4.08Å; Y322-L473 HydrophobicContact CD2-CD2 3.71Å; Y322-L473 HydrophobicContact CE2-CD2 4.33Å; Y322-L473 HydrophobicContact CG-CD2 3.56Å; M468-L473 HydrophobicContact CG-CB 3.94Å; M468-L473 WeakPolarHBondContact CG-O 3.37Å; M468-L473 PolarHBondContact O-N 2.81Å; L471-L473 VanDerWaalsContact C-N 3.33Å; L471-L473 HydrophobicContact CB-CD1 4.11Å; L471-L473 HydrophobicContact CB-CG 3.87Å; L471-L473 HydrophobicContact CD1-CD1 4.18Å; L473-L478 HydrophobicContact CB-CD1 4.25Å; L473-L478 HydrophobicContact CD1-CB 4.17Å; L473-L478 HydrophobicContact CD2-CD1 4.33Å; L473-T479 HydrophobicContact CD1-CG2 3.51Å
474S94.5Very high98Very high89 Ų8922.6 Ų22.662%0.62212%0.122SC*.SBendtrans-90.5-8.1-173.758.20000115H270H270-S474 PolarHBondContact CD2-O 2.96Å
475N96.6Very high97.8Very high28 Ų2822.8 Ų22.815%0.1512%0.123CC..  trans-147.8127-175.3-162.6-49.1000111.7L166 H270 M468 R477 L478L166-N475 HydrophobicContact CD2-CB 4.27Å; H270-N475 HydrophobicContact CB-CB 4.47Å; H270-N475 CarbonylContact O-C 3.43Å; H270-N475 WeakPolarHBondContact O-CA 3.48Å; H270-N475 PolarHBondContact O-OD1 3.01Å; M468-N475 VanDerWaalsContact SD-C 3.57Å; N475-R477 PolarHBondContact O-N 3.5Å; N475-R477 VanDerWaalsContact O-N 3.14Å; N475-R477 WeakPolarHBondContact OD1-CB 3.36Å; N475-R477 WeakPolarHBondContact OD1-CG 3.43Å; N475-R477 PolarHBondContact OD1-N 2.99Å; N475-R477 VanDerWaalsContact OD1-N 3.08Å; N475-R477 PolarHBondContact OD1-NH1 3.21Å; N475-L478 WeakPolarHBondContact O-CB 3.5Å; N475-L478 PolarHBondContact O-N 2.86Å
476V97.8Very high97.7Very high3 Ų323.7 Ų23.72%0.01813%0.134CC..G310 helixtrans-62.9-22-177.272.90000112.7H270 L273 E464 R465 M468 L478 T479 S480H270-V476 WeakPolarHBondContact O-CG1 3.46Å; H270-V476 PolarHBondContact O-N 3.36Å; L273-V476 HydrophobicContact CD1-CG1 4.2Å; L273-V476 HydrophobicContact CD1-CG2 3.89Å; L273-V476 HydrophobicContact CD2-CG1 3.85Å; L273-V476 HydrophobicContact CG-CG1 3.67Å; L273-V476 HydrophobicContact CG-CG2 4.19Å; E464-V476 HydrophobicContact CB-CG2 3.65Å; R465-V476 HydrophobicContact CG-CG2 4.48Å; M468-V476 VanDerWaalsContact SD-CA 3.54Å; M468-V476 HydrophobicContact SD-CB 3.82Å; M468-V476 HydrophobicContact SD-CG2 4.48Å; M468-V476 PolarHBondContact SD-N 2.96Å; V476-L478 PolarHBondContact O-N 3.3Å; V476-T479 CarbonylContact O-C 3.53Å; V476-T479 PolarHBondContact O-N 2.85Å; V476-T479 VanDerWaalsContact O-N 3.07Å; V476-T479 PolarHBondContact O-OG1 2.91Å; V476-S480 PolarHBondContact O-N 3.27Å; V476-S480 VanDerWaalsContact O-N 3.14Å
477R98Very high97.5Very high15 Ų1531.7 Ų31.76%0.05717%0.169CC..G310 helixtrans-66.5-20.9175-64.8171.4-179.370.30.5112.8L166 L170 R173 N268 T269 L273 N475 T479 P483 D485L166-R477 HydrophobicContact CD2-CB 4.29Å; L170-R477 HydrophobicContact CD1-CB 4.01Å; L170-R477 HydrophobicContact CD1-CG 4.4Å; R173-R477 PolarHBondContact NH2-O 2.94Å; R173-R477 VanDerWaalsContact NH2-O 3.08Å; N268-R477 PolarHBondContact OD1-NH2 3.1Å; T269-R477 PolarHBondContact O-NH1 2.98Å; L273-R477 HydrophobicContact CD2-CG 4.19Å; N475-R477 PolarHBondContact O-N 3.5Å; N475-R477 VanDerWaalsContact O-N 3.14Å; N475-R477 WeakPolarHBondContact OD1-CB 3.36Å; N475-R477 WeakPolarHBondContact OD1-CG 3.43Å; N475-R477 PolarHBondContact OD1-N 2.99Å; N475-R477 VanDerWaalsContact OD1-N 3.08Å; N475-R477 PolarHBondContact OD1-NH1 3.21Å; R477-T479 PolarHBondContact O-N 3.42Å; R477-P483 HydrophobicContact CB-CB 4.16Å; R477-P483 HydrophobicContact CB-CG 3.86Å; R477-P483 HydrophobicContact CG-CB 3.92Å; R477-P483 HydrophobicContact CG-CG 4.19Å; R477-P483 WeakPolarHBondContact O-CG 3.4Å; R477-D485 IonicContact CZ-OD2 3.65Å; R477-D485 IonicContact NE-OD2 3.71Å; R477-D485 PolarHBondContact NE-OD2 3.33Å; R477-D485 IonicContact NH2-OD2 2.74Å; R477-D485 PolarHBondContact NH2-OD2 2.94Å
478L98Very high97.4Very high8 Ų832.8 Ų32.84%0.04217%0.173CC..G310 helixtrans-69-29.2173.4-66.9172.1000111.5L166 Y186 Y322 L473 N475 V476L166-L478 HydrophobicContact CD1-CD2 3.69Å; L166-L478 HydrophobicContact CD1-CG 4.43Å; Y186-L478 PolarHBondContact OH-O 3.26Å; Y322-L478 HydrophobicContact CE1-CD1 4.04Å; L473-L478 HydrophobicContact CB-CD1 4.25Å; L473-L478 HydrophobicContact CD1-CB 4.17Å; L473-L478 HydrophobicContact CD2-CD1 4.33Å; N475-L478 WeakPolarHBondContact O-CB 3.5Å; N475-L478 PolarHBondContact O-N 2.86Å; V476-L478 PolarHBondContact O-N 3.3Å
479T98.6Very high97.2Very high0 Ų039.4 Ų39.40%021%0.207CC..SBendtrans-1064.9-176.350.90000113.5I185 Q189 E464 T467 M468 L473 V476 R477I185-T479 HydrophobicContact CG2-CG2 3.94Å; Q189-T479 PolarHBondContact NE2-O 3.4Å; E464-T479 VanDerWaalsContact CG-O 3.3Å; E464-T479 WeakPolarHBondContact CG-O 3.34Å; E464-T479 PolarHBondContact O-OG1 3.45Å; T467-T479 HydrophobicContact CG2-CG2 3.65Å; M468-T479 HydrophobicContact CB-CG2 4.12Å; L473-T479 HydrophobicContact CD1-CG2 3.51Å; V476-T479 CarbonylContact O-C 3.53Å; V476-T479 PolarHBondContact O-N 2.85Å; V476-T479 VanDerWaalsContact O-N 3.07Å; V476-T479 PolarHBondContact O-OG1 2.91Å; R477-T479 PolarHBondContact O-N 3.42Å
480S98.5Very high97.1Very high9 Ų943.8 Ų43.86%0.06324%0.235CC..SBendtrans-106.8122166.6-178.60000109.7R173 Y186 V476 F482 P483R173-S480 PolarHBondContact NH2-O 3.19Å; Y186-S480 PolarHBondContact OH-N 3.22Å; Y186-S480 PolarHBondContact OH-O 3.07Å; V476-S480 PolarHBondContact O-N 3.27Å; V476-S480 VanDerWaalsContact O-N 3.14Å; S480-F482 VanDerWaalsContact C-N 3.3Å; S480-F482 PolarHBondContact O-N 3.37Å; S480-P483 VanDerWaalsContact O-CD 3.29Å; S480-P483 WeakPolarHBondContact O-CD 3.43Å; S480-P483 WeakPolarHBondContact O-CG 3.47Å; S480-P483 WeakPolarHBondContact OG-CA 3.15Å
481M98.2Very high95.9Very high78 Ų7847.5 Ų47.538%0.38426%0.26SS..SBendtrans-60.2-42.1-171.4-168.9175.9-72.500112.1R173 L177 Y186R173-M481 WeakPolarHBondContact CG-O 3.43Å; R173-M481 PolarHBondContact NE-O 2.89Å; L177-M481 HydrophobicContact CD1-CG 3.78Å; L177-M481 HydrophobicContact CD1-SD 4.25Å; L177-M481 HydrophobicContact CD2-CG 3.94Å; Y186-M481 HydrophobicContact CD1-CB 4.17Å; Y186-M481 HydrophobicContact CD1-CE 3.56Å; Y186-M481 HydrophobicContact CD2-CE 4.06Å; Y186-M481 HydrophobicContact CE1-CB 3.58Å; Y186-M481 HydrophobicContact CE1-CE 4.15Å; Y186-M481 HydrophobicContact CE1-CG 4.21Å; Y186-M481 HydrophobicContact CE2-CG 4.47Å; Y186-M481 HydrophobicContact CG-CE 3.55Å; Y186-M481 VanDerWaalsContact CZ-CA 3.43Å; Y186-M481 VanDerWaalsContact OH-CA 3.22Å; Y186-M481 WeakPolarHBondContact OH-CA 3.45Å; Y186-M481 PolarHBondContact OH-N 2.96Å; Y186-M481 VanDerWaalsContact OH-N 3.16Å
482F98.4Very high95.8Very high85 Ų8549.7 Ų49.737%0.37327%0.272SS..SBendtrans-132.285.8173.2-62.5-75.9000107.7R173 L177 S480 P491R173-F482 HydrophobicContact CB-CD1 4.29Å; R173-F482 HydrophobicContact CB-CE1 4.17Å; R173-F482 HydrophobicContact CG-CD1 3.9Å; R173-F482 HydrophobicContact CG-CE1 3.87Å; L177-F482 HydrophobicContact CD1-CE1 4.35Å; L177-F482 HydrophobicContact CD1-CZ 3.97Å; S480-F482 VanDerWaalsContact C-N 3.3Å; S480-F482 PolarHBondContact O-N 3.37Å; F482-P491 HydrophobicContact CD1-CG 4.21Å
483P98Very high95.7Very high4 Ų450.7 Ų50.73%0.02627%0.27CS..  trans-59.7144.4-171.3-20.630.6000112.1L170 L273 R477 S480L170-P483 HydrophobicContact CD1-CG 4.3Å; L170-P483 HydrophobicContact CD2-CG 3.78Å; L273-P483 HydrophobicContact CD2-CB 4.08Å; R477-P483 HydrophobicContact CB-CB 4.16Å; R477-P483 HydrophobicContact CB-CG 3.86Å; R477-P483 HydrophobicContact CG-CB 3.92Å; R477-P483 HydrophobicContact CG-CG 4.19Å; R477-P483 WeakPolarHBondContact O-CG 3.4Å; S480-P483 VanDerWaalsContact O-CD 3.29Å; S480-P483 WeakPolarHBondContact O-CD 3.43Å; S480-P483 WeakPolarHBondContact O-CG 3.47Å; S480-P483 WeakPolarHBondContact OG-CA 3.15Å
484R97.6Very high95.6Very high48 Ų4853.1 Ų53.118%0.18128%0.282CS..BIsolated β-bridgetrans-119.9126.7168.4-64.4-63.6178.7-105.57.6109L273 T274 E275 R488 L489 P491L273-R484 CarbonylContact C-O 3.24Å; L273-R484 WeakPolarHBondContact CA-O 3.01Å; L273-R484 WeakPolarHBondContact CD2-O 3.45Å; T274-R484 PolarHBondContact N-O 3.34Å; T274-R484 PolarHBondContact OG1-O 2.92Å; E275-R484 HydrophobicContact CB-CB 3.97Å; E275-R484 HydrophobicContact CB-CG 4.26Å; R484-R488 WeakPolarHBondContact CA-O 3.23Å; R484-L489 VanDerWaalsContact CZ-O 3.22Å; R484-L489 PolarHBondContact NE-O 2.6Å; R484-L489 PolarHBondContact NH2-O 3.13Å; R484-P491 VanDerWaalsContact CZ-O 3.3Å; R484-P491 PolarHBondContact NH1-O 3.09Å; R484-P491 PolarHBondContact NH2-O 3.14Å
485D96.2Very high95.7Very high12 Ų1250.9 Ų50.96%0.06426%0.262CS..  trans-145.6176.3176.270.942.3000109.1T274 R477 K487 R488T274-D485 WeakPolarHBondContact OG1-CA 3.25Å; T274-D485 PolarHBondContact OG1-N 2.63Å; R477-D485 IonicContact CZ-OD2 3.65Å; R477-D485 IonicContact NE-OD2 3.71Å; R477-D485 PolarHBondContact NE-OD2 3.33Å; R477-D485 IonicContact NH2-OD2 2.74Å; R477-D485 PolarHBondContact NH2-OD2 2.94Å; D485-K487 PolarHBondContact O-N 3.47Å; D485-K487 WeakPolarHBondContact OD1-CA 3.49Å; D485-K487 PolarHBondContact OD1-N 2.91Å; D485-R488 PolarHBondContact N-O 2.98Å; D485-R488 PolarHBondContact O-N 3.34Å; D485-R488 WeakPolarHBondContact OD1-CB 3.46Å; D485-R488 PolarHBondContact OD1-N 3.07Å
486P94.6Very high95.6Very high55 Ų5552.4 Ų52.436%0.35727%0.269SS..SBendtrans-58.3-22-177.5-26.636.6000114.8D266 T274D266-P486 WeakPolarHBondContact OD1-CB 3.44Å; T274-P486 HydrophobicContact CG2-CG 4.04Å
487K95.1Very high95.5Very high171 Ų17155.7 Ų55.774%0.74329%0.286SS*.SBendtrans-105.2-20-178.8-60.6-172.1-179.3-1770113.4D485D485-K487 PolarHBondContact O-N 3.47Å; D485-K487 WeakPolarHBondContact OD1-CA 3.49Å; D485-K487 PolarHBondContact OD1-N 2.91Å
488R95.5Very high95.3Very high22 Ų2258.6 Ų58.68%0.08330%0.303CS..  trans-116.1103.6-172.6-172.6172.7-70.4-77.11.3111.4D167 D171 R484 D485 T490D167-R488 IonicContact OD1-NH2 2.93Å; D167-R488 PolarHBondContact OD1-NH2 3.16Å; D171-R488 IonicContact OD1-CZ 2.77Å; D171-R488 IonicContact OD1-NH1 2.95Å; D171-R488 PolarHBondContact OD1-NH1 3.11Å; D171-R488 IonicContact OD1-NH2 3.78Å; D171-R488 PolarHBondContact OD1-NH2 3.06Å; D171-R488 VanDerWaalsContact OD1-NH2 3.07Å; R484-R488 WeakPolarHBondContact CA-O 3.23Å; D485-R488 PolarHBondContact N-O 2.98Å; D485-R488 PolarHBondContact O-N 3.34Å; D485-R488 WeakPolarHBondContact OD1-CB 3.46Å; D485-R488 PolarHBondContact OD1-N 3.07Å; R488-T490 VanDerWaalsContact CG-O 3.24Å; R488-T490 WeakPolarHBondContact CG-O 3.45Å
489L95.7Very high95.1Very high140 Ų14062.5 Ų62.573%0.73332%0.323SS*.  trans-108.1-12.1172-16862.4000113R484R484-L489 VanDerWaalsContact CZ-O 3.22Å; R484-L489 PolarHBondContact NE-O 2.6Å; R484-L489 PolarHBondContact NH2-O 3.13Å
490T95.5Very high94.8Very high99 Ų9967.7 Ų67.761%0.60735%0.349SS*.  trans-127.5159.9-18058.30000110.4R488R488-T490 VanDerWaalsContact CG-O 3.24Å; R488-T490 WeakPolarHBondContact CG-O 3.45Å
491P74.2Confident94.4Very high89 Ų8973 Ų7358%0.57838%0.375SS*.  cis-63.20-8.228.1-34.4000113.5L170 R173 F482 R484L170-P491 WeakPolarHBondContact O-CD 3.42Å; R173-P491 HydrophobicContact CB-CG 4.11Å; F482-P491 HydrophobicContact CD1-CG 4.21Å; R484-P491 VanDerWaalsContact CZ-O 3.3Å; R484-P491 PolarHBondContact NH1-O 3.09Å; R484-P491 PolarHBondContact NH2-O 3.14Å

Retrieved 491 of 491 residues in 317 ms (Link to these results)

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