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Purine nucleoside phosphorylase

The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A077YZ86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 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
1M89.9Confident94.2Very high75 Ų7572.6 Ų72.637%0.36937%0.371SS..  0-62.50-62.9-171.8-67.700114.1A3 V4 S5 R92 I93 L96 F146M1-A3 PolarHBondContact O-N 3.39Å; M1-V4 WeakPolarHBondContact O-CB 3.33Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.17Å; M1-S5 PolarHBondContact O-N 3.44Å; M1-R92 HydrophobicContact SD-CB 3.45Å; M1-R92 WeakPolarHBondContact SD-CB 3.31Å; M1-R92 VanDerWaalsContact SD-CD 3.5Å; M1-R92 HydrophobicContact SD-CG 4.12Å; M1-I93 HydrophobicContact CB-CG1 4.24Å; M1-I93 HydrophobicContact CG-CG1 4.22Å; M1-L96 HydrophobicContact CB-CD1 4.23Å; M1-F146 HydrophobicContact CE-CE2 3.8Å; M1-F146 HydrophobicContact CE-CZ 4.16Å; M1-F146 HydrophobicContact SD-CZ 4.45Å
2V90.9Very high94.3Very high76 Ų7668.6 Ų68.646%0.46135%0.35SS..Hα-helixtrans-58-48.4-176.7177.80000112.8V4 S5 K6 L96V2-V4 VanDerWaalsContact C-N 3.32Å; V2-V4 PolarHBondContact O-N 3.03Å; V2-S5 PolarHBondContact O-N 3.27Å; V2-S5 PolarHBondContact O-OG 2.69Å; V2-K6 PolarHBondContact O-N 3.04Å; V2-L96 HydrophobicContact CG2-CD1 4.41Å
3A94.3Very high94.2Very high80 Ų8071.8 Ų71.866%0.66138%0.376SS*.Hα-helixtrans-58.3-43.4176.700000112.3M1 K6 F7M1-A3 PolarHBondContact O-N 3.39Å; A3-K6 PolarHBondContact O-N 3.3Å; A3-F7 PolarHBondContact O-N 2.78Å
4V95.4Very high94.2Very high8 Ų874.1 Ų74.15%0.04838%0.383CS..Hα-helixtrans-61.1-47.3175.7179.30000111.6M1 V2 K6 F7 L8 I44 P45 F47 I93M1-V4 WeakPolarHBondContact O-CB 3.33Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.17Å; V2-V4 VanDerWaalsContact C-N 3.32Å; V2-V4 PolarHBondContact O-N 3.03Å; V4-K6 PolarHBondContact O-N 3.24Å; V4-F7 WeakPolarHBondContact O-CB 3.41Å; V4-F7 PolarHBondContact O-N 2.63Å; V4-L8 HydrophobicContact CG1-CD1 3.99Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 PolarHBondContact O-N 3.26Å; V4-I44 HydrophobicContact CG1-CG2 3.51Å; V4-P45 VanDerWaalsContact CG2-O 3.25Å; V4-P45 WeakPolarHBondContact CG2-O 3.23Å; V4-F47 HydrophobicContact CG1-CD2 4Å; V4-I93 HydrophobicContact CB-CD1 4Å; V4-I93 HydrophobicContact CB-CG1 4.39Å; V4-I93 HydrophobicContact CG1-CD1 3.68Å; V4-I93 HydrophobicContact CG1-CG1 4.27Å; V4-I93 HydrophobicContact CG1-CG2 4.09Å; V4-I93 HydrophobicContact CG2-CD1 4.48Å
5S94.1Very high94.4Very high12 Ų1272.7 Ų72.78%0.08439%0.387CS..Hα-helixtrans-61.1-34.6177.966.70000112.3M1 V2 R9 L97M1-S5 PolarHBondContact O-N 3.44Å; V2-S5 PolarHBondContact O-N 3.27Å; V2-S5 PolarHBondContact O-OG 2.69Å; S5-R9 WeakPolarHBondContact O-CB 3.43Å; S5-R9 PolarHBondContact O-N 2.78Å; S5-L97 VanDerWaalsContact O-CD2 3.31Å; S5-L97 WeakPolarHBondContact O-CD2 3.5Å
6K95.1Very high94.5Very high143 Ų14368.2 Ų68.262%0.62236%0.363SS*.Hα-helixtrans-70-44.4175.8-172.5177.8179.5-179.30111.4V2 A3 V4 L8 R9 N10V2-K6 PolarHBondContact O-N 3.04Å; A3-K6 PolarHBondContact O-N 3.3Å; V4-K6 PolarHBondContact O-N 3.24Å; K6-L8 VanDerWaalsContact C-N 3.35Å; K6-L8 PolarHBondContact O-N 3.2Å; K6-R9 PolarHBondContact O-N 3.19Å; K6-N10 VanDerWaalsContact O-CG 3.28Å; K6-N10 PolarHBondContact O-N 3.45Å; K6-N10 VanDerWaalsContact O-N 3.14Å; K6-N10 PolarHBondContact O-OD1 3.28Å
7F96.3Very high94.7Very high72 Ų7269.1 Ų69.132%0.31637%0.368SS..Hα-helixtrans-56.9-47.6175.7174.2-94.2000111.8A3 V4 V39 D43 I44 P45A3-F7 PolarHBondContact O-N 2.78Å; V4-F7 WeakPolarHBondContact O-CB 3.41Å; V4-F7 PolarHBondContact O-N 2.63Å; F7-V39 HydrophobicContact CE1-CG1 4.45Å; F7-D43 WeakPolarHBondContact CZ-O 3.46Å; F7-I44 HydrophobicContact CD1-CG2 4.11Å; F7-I44 HydrophobicContact CE1-CB 4.4Å; F7-I44 HydrophobicContact CE1-CG1 4.22Å; F7-I44 HydrophobicContact CE1-CG2 4.35Å; F7-P45 HydrophobicContact CD2-CG 4.33Å; F7-P45 HydrophobicContact CE2-CG 4.36Å
8L95.8Very high94.9Very high1 Ų165.3 Ų65.31%0.00535%0.348CS..Hα-helixtrans-69.3-43.5178.7-71176.3000112.2V4 K6 N10 Q11 M12 I44 L59 I93 L97V4-L8 HydrophobicContact CG1-CD1 3.99Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 PolarHBondContact O-N 3.26Å; K6-L8 VanDerWaalsContact C-N 3.35Å; K6-L8 PolarHBondContact O-N 3.2Å; L8-N10 PolarHBondContact O-N 2.64Å; L8-Q11 WeakPolarHBondContact O-CB 3.3Å; L8-Q11 PolarHBondContact O-N 2.96Å; L8-M12 HydrophobicContact CB-CE 4.02Å; L8-M12 WeakPolarHBondContact O-CG 3.37Å; L8-I44 HydrophobicContact CD2-CD1 3.97Å; L8-I44 HydrophobicContact CD2-CG1 4.18Å; L8-L59 HydrophobicContact CD1-CD1 3.87Å; L8-L59 HydrophobicContact CD2-CD1 4.45Å; L8-L59 HydrophobicContact CD2-CD2 4.1Å; L8-I93 HydrophobicContact CD1-CG2 3.82Å; L8-L97 HydrophobicContact CB-CD1 4.28Å; L8-L97 HydrophobicContact CB-CD2 4.05Å; L8-L97 HydrophobicContact CD1-CD1 4.15Å
9R95Very high95.1Very high133 Ų13361.9 Ų61.950%0.50233%0.329SS..Hα-helixtrans-58.4-36179.6-174.4179.8-68.7-145.80.5112.4S5 K6 Q11 M12 L96 L97S5-R9 WeakPolarHBondContact O-CB 3.43Å; S5-R9 PolarHBondContact O-N 2.78Å; K6-R9 PolarHBondContact O-N 3.19Å; R9-Q11 PolarHBondContact O-N 2.57Å; R9-Q11 VanDerWaalsContact O-N 3.14Å; R9-M12 PolarHBondContact O-N 2.73Å; R9-L96 PolarHBondContact NH2-O 3.25Å; R9-L97 HydrophobicContact CB-CD2 3.9Å
10N95.4Very high95.2Very high129 Ų12958.9 Ų58.969%0.6931%0.313SS*.THydrogen-bonded Turntrans-64.9-13.8177.8-72.7-8.6000114.1K6 L8K6-N10 VanDerWaalsContact O-CG 3.28Å; K6-N10 PolarHBondContact O-N 3.45Å; K6-N10 VanDerWaalsContact O-N 3.14Å; K6-N10 PolarHBondContact O-OD1 3.28Å; L8-N10 PolarHBondContact O-N 2.64Å
11Q94.1Very high95.4Very high70 Ų7056.2 Ų56.233%0.32730%0.299SS..THydrogen-bonded Turntrans-99.3-10.3177.1-55.9-178.948.200111.8L8 R9 V37L8-Q11 WeakPolarHBondContact O-CB 3.3Å; L8-Q11 PolarHBondContact O-N 2.96Å; R9-Q11 PolarHBondContact O-N 2.57Å; R9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-V37 HydrophobicContact CB-CG1 4.16Å; Q11-V37 VanDerWaalsContact O-CG2 3.23Å; Q11-V37 WeakPolarHBondContact O-CG2 3.14Å
12M95.1Very high95.7Very high24 Ų2452.6 Ų52.612%0.11828%0.281CS..  trans-102.1141.1-174.5-61.3174-175.100110.6L8 R9 L59 Y61 V70 L97L8-M12 HydrophobicContact CB-CE 4.02Å; L8-M12 WeakPolarHBondContact O-CG 3.37Å; R9-M12 PolarHBondContact O-N 2.73Å; M12-L59 HydrophobicContact CE-CD2 4.3Å; M12-Y61 HydrophobicContact CB-CD1 4.24Å; M12-Y61 HydrophobicContact CB-CD2 4.43Å; M12-Y61 HydrophobicContact CB-CE1 3.99Å; M12-Y61 HydrophobicContact CB-CE2 4.17Å; M12-Y61 HydrophobicContact CB-CG 4.45Å; M12-Y61 HydrophobicContact CE-CD2 4.33Å; M12-Y61 HydrophobicContact CE-CG 4.31Å; M12-Y61 HydrophobicContact CG-CD1 3.88Å; M12-Y61 HydrophobicContact CG-CD2 3.88Å; M12-Y61 HydrophobicContact CG-CE1 4.15Å; M12-Y61 HydrophobicContact CG-CE2 4.12Å; M12-Y61 HydrophobicContact CG-CG 3.75Å; M12-Y61 HydrophobicContact SD-CD2 3.91Å; M12-Y61 HydrophobicContact SD-CE2 4.28Å; M12-Y61 HydrophobicContact SD-CG 4.24Å; M12-V70 HydrophobicContact CE-CG2 4.35Å; M12-L97 HydrophobicContact CE-CD1 3.92Å; M12-L97 HydrophobicContact SD-CD1 4.26Å; M12-L97 HydrophobicContact SD-CD2 4.11Å
13T92.7Very high95.8Very high111 Ų11149.1 Ų49.168%0.68126%0.261SS*.SBendtrans-77.6-26.5177.954.70000113.1Y61T13-Y61 PolarHBondContact OG1-OH 3.38Å; T13-Y61 VanDerWaalsContact OG1-OH 3.06Å
14E94.5Very high95.6Very high103 Ų10345.9 Ų45.948%0.48123%0.233SC..SBendtrans-156.1165.7-178.353.4-177.3132.800109.5Y61 R68E14-Y61 WeakPolarHBondContact CG-OH 2.89Å; E14-Y61 PolarHBondContact N-OH 3.41Å; E14-Y61 PolarHBondContact O-OH 3.06Å; E14-R68 VanDerWaalsContact CD-CG 3.47Å; E14-R68 VanDerWaalsContact CD-NE 3.28Å; E14-R68 HydrophobicContact CG-CG 3.71Å; E14-R68 IonicContact OE1-CZ 2.89Å; E14-R68 IonicContact OE1-NE 3.63Å; E14-R68 PolarHBondContact OE1-NE 3.02Å; E14-R68 IonicContact OE1-NH2 2.74Å; E14-R68 PolarHBondContact OE1-NH2 3.29Å
15A96.7Very high95.3Very high54 Ų5445.9 Ų45.945%0.44623%0.234SC..  trans-69.5135.1179.800000110.9L97A15-L97 WeakPolarHBondContact CB-O 3.11Å
16P97.4Very high95.2Very high0 Ų045.3 Ų45.30%023%0.231CC..  trans-65.8142.7169.929.6-34.5000110V70 L97 G98 A99P16-V70 HydrophobicContact CB-CB 4.14Å; P16-V70 HydrophobicContact CB-CG1 3.96Å; P16-V70 HydrophobicContact CG-CB 4.26Å; P16-V70 HydrophobicContact CG-CG1 3.92Å; P16-L97 HydrophobicContact CG-CB 3.86Å; P16-G98 CarbonylContact O-C 3.5Å; P16-A99 VanDerWaalsContact O-CA 3.28Å; P16-A99 WeakPolarHBondContact O-CA 3.47Å; P16-A99 PolarHBondContact O-N 3.28Å; P16-A99 VanDerWaalsContact O-N 3.1Å
17L97.3Very high94.9Very high84 Ų8439 Ų3944%0.4421%0.206SC..SBendtrans-90.9-30.6173.1-63.3177.1000111.2K67 R68 R100 T101L17-K67 HydrophobicContact CD1-CD 3.93Å; L17-R68 PolarHBondContact N-O 2.92Å; L17-R100 PolarHBondContact O-N 3.49Å; L17-R100 VanDerWaalsContact O-N 3.08Å; L17-T101 PolarHBondContact O-N 3.45Å
18V98.3Very high94.5Very high1 Ų136.6 Ų36.61%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-125134.5-175.6-172.30000110.5R68 V69 V70 T101 I103 L271V18-R68 PolarHBondContact N-O 2.93Å; V18-V69 HydrophobicContact CB-CG2 4.08Å; V18-V69 VanDerWaalsContact O-CA 3.32Å; V18-V69 WeakPolarHBondContact O-CA 3.35Å; V18-V70 PolarHBondContact O-N 3.37Å; V18-T101 WeakPolarHBondContact CA-O 3.25Å; V18-I103 HydrophobicContact CG1-CD1 3.86Å; V18-I103 HydrophobicContact CG1-CG1 3.94Å; V18-L271 HydrophobicContact CG2-CD1 3.65Å
19G98.3Very high94.1Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-95.5132.9161.700000110.4V70 M94 T101 V102 I103G19-V70 CarbonylContact C-O 3.55Å; G19-V70 WeakPolarHBondContact CA-O 3.47Å; G19-M94 VanDerWaalsContact CA-SD 3.54Å; G19-T101 PolarHBondContact N-O 3.03Å; G19-V102 CarbonylContact O-C 3.56Å; G19-V102 WeakPolarHBondContact O-CA 3.36Å; G19-I103 PolarHBondContact O-N 3.31Å
20L98.1Very high93.5Very high2 Ų230.3 Ų30.31%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-117.2129.4172.4176.261.3000109.2I33 V69 V70 C71 M72 I103 T105 L264L20-I33 HydrophobicContact CD2-CD1 4.24Å; L20-V69 HydrophobicContact CB-CG1 3.97Å; L20-V70 PolarHBondContact N-O 3.24Å; L20-C71 HydrophobicContact CB-CB 4.12Å; L20-C71 HydrophobicContact CD2-CB 4.44Å; L20-C71 CarbonylContact O-C 3.57Å; L20-C71 VanDerWaalsContact O-CA 3.25Å; L20-C71 WeakPolarHBondContact O-CA 3.26Å; L20-M72 PolarHBondContact O-N 2.71Å; L20-I103 CarbonylContact C-O 3.57Å; L20-I103 WeakPolarHBondContact CA-O 3.28Å; L20-I103 HydrophobicContact CD1-CB 3.84Å; L20-I103 HydrophobicContact CD1-CG2 3.68Å; L20-T105 HydrophobicContact CD1-CG2 4.06Å; L20-L264 HydrophobicContact CD1-CD1 4.18Å
21V98.1Very high92.9Very high2 Ų231.1 Ų31.11%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-119.5112.6176.4-176.30000109.7M72 R75 I91 M94 I103 L104 T105V21-M72 HydrophobicContact CG1-CB 4.37Å; V21-M72 HydrophobicContact CG2-CB 4.43Å; V21-M72 HydrophobicContact CG2-SD 4.23Å; V21-R75 HydrophobicContact CG1-CB 3.83Å; V21-R75 PolarHBondContact O-NH2 3.22Å; V21-I91 HydrophobicContact CG2-CD1 3.81Å; V21-M94 HydrophobicContact CG2-CE 4.06Å; V21-M94 HydrophobicContact CG2-SD 4.47Å; V21-I103 PolarHBondContact N-O 3.38Å; V21-L104 HydrophobicContact CB-CD2 3.79Å; V21-L104 HydrophobicContact CG2-CD2 3.72Å; V21-T105 PolarHBondContact O-N 3.38Å; V21-T105 PolarHBondContact O-OG1 3.2Å
22C96.5Very high92.3Very high0 Ų033.6 Ų33.60%018%0.184CC..EExtended strand (participates in β ladder)trans-83.5123.4176.6-59.50000110.7L26 M72 G74 T105C22-L26 HydrophobicContact CB-CB 4.38Å; C22-L26 WeakPolarHBondContact CB-O 3.28Å; C22-L26 PolarHBondContact SG-O 3.14Å; C22-L26 VanDerWaalsContact SG-O 3.32Å; C22-M72 VanDerWaalsContact CB-O 3.23Å; C22-M72 WeakPolarHBondContact CB-O 3.48Å; C22-M72 PolarHBondContact N-O 2.94Å; C22-G74 CarbonylContact O-C 3.52Å; C22-G74 WeakPolarHBondContact O-CA 3.41Å; C22-G74 PolarHBondContact O-N 3.47Å; C22-G74 VanDerWaalsContact O-N 3.13Å; C22-T105 WeakPolarHBondContact CA-OG1 3.23Å
23G93.9Very high91.8Very high2 Ų232.5 Ų32.52%0.02118%0.179CC..  trans-83.2-168.7168.600000113.2G25 L26 T105G23-G25 PolarHBondContact O-N 3.46Å; G23-L26 PolarHBondContact O-N 3.41Å; G23-T105 VanDerWaalsContact CA-O 3.26Å; G23-T105 WeakPolarHBondContact CA-O 3.29Å; G23-T105 PolarHBondContact N-O 2.95Å
24S90.2Very high91.3Very high13 Ų1334.9 Ų34.99%0.09118%0.179CC..THydrogen-bonded Turntrans-55.4128.2-179.1-51.20000112.2L26S24-L26 PolarHBondContact O-N 2.82Å
25G88.4Confident90.4Very high7 Ų733.6 Ų33.67%0.07218%0.18CC..THydrogen-bonded Turntrans75.8-10.6-177.500000115.5G23 G253 S254G23-G25 PolarHBondContact O-N 3.46Å; G25-G253 CarbonylContact O-C 3.56Å; G25-S254 WeakPolarHBondContact O-CA 3.3Å; G25-S254 PolarHBondContact O-N 3.37Å; G25-S254 VanDerWaalsContact O-N 3.13Å
26L92.4Very high89.8Confident0 Ų035.1 Ų35.10%018%0.184CC..  trans-99.27.4-173.5-60.3167000113.2C22 G23 S24 C28 L29 T105 A231 G253 A257C22-L26 HydrophobicContact CB-CB 4.38Å; C22-L26 WeakPolarHBondContact CB-O 3.28Å; C22-L26 PolarHBondContact SG-O 3.14Å; C22-L26 VanDerWaalsContact SG-O 3.32Å; G23-L26 PolarHBondContact O-N 3.41Å; S24-L26 PolarHBondContact O-N 2.82Å; L26-C28 PolarHBondContact O-N 3.38Å; L26-L29 HydrophobicContact CB-CD1 4.06Å; L26-L29 WeakPolarHBondContact O-CB 3.13Å; L26-L29 VanDerWaalsContact O-CG 3.29Å; L26-L29 WeakPolarHBondContact O-CG 3.45Å; L26-L29 PolarHBondContact O-N 3.36Å; L26-T105 WeakPolarHBondContact CD1-OG1 3.35Å; L26-A231 HydrophobicContact CD2-CB 4.33Å; L26-G253 WeakPolarHBondContact CD2-O 3.48Å; L26-A257 HydrophobicContact CD2-CB 3.82Å
27G88.1Confident89.5Confident11 Ų1136.5 Ų36.511%0.11319%0.192CC..G310 helixtrans-60.5-30.4-178.200000113.8L29 G30 Q73G27-L29 PolarHBondContact O-N 2.68Å; G27-L29 VanDerWaalsContact O-N 3.14Å; G27-G30 PolarHBondContact O-N 3.48Å; G27-Q73 PolarHBondContact O-NE2 2.98Å
28C87.3Confident89.4Confident22 Ų2235.7 Ų35.715%0.14920%0.198CC..G310 helixtrans-65.1-15178.659.10000113.6L26 G30 E31 A257L26-C28 PolarHBondContact O-N 3.38Å; C28-G30 PolarHBondContact O-N 3.46Å; C28-E31 WeakPolarHBondContact O-CB 3.48Å; C28-E31 PolarHBondContact O-N 3.45Å; C28-E31 VanDerWaalsContact O-N 3.14Å; C28-A257 WeakPolarHBondContact SG-CB 3.31Å
29L87.5Confident89.2Confident1 Ų136.2 Ų36.21%0.00520%0.201CC..G310 helixtrans-56.9-35.7167.2-66.7172.5000111.5L26 G27 E31 K32 T105 A257 L260 M261 L264L26-L29 HydrophobicContact CB-CD1 4.06Å; L26-L29 WeakPolarHBondContact O-CB 3.13Å; L26-L29 VanDerWaalsContact O-CG 3.29Å; L26-L29 WeakPolarHBondContact O-CG 3.45Å; L26-L29 PolarHBondContact O-N 3.36Å; G27-L29 PolarHBondContact O-N 2.68Å; G27-L29 VanDerWaalsContact O-N 3.14Å; L29-E31 VanDerWaalsContact C-N 3.31Å; L29-E31 PolarHBondContact O-N 3.22Å; L29-K32 PolarHBondContact O-N 2.96Å; L29-T105 HydrophobicContact CD1-CG2 4.07Å; L29-A257 HydrophobicContact CD2-CB 4.04Å; L29-A257 VanDerWaalsContact CD2-O 3.23Å; L29-A257 WeakPolarHBondContact CD2-O 3.36Å; L29-A257 HydrophobicContact CG-CB 3.98Å; L29-L260 HydrophobicContact CD1-CD2 4.28Å; L29-M261 HydrophobicContact CD2-CB 4.07Å; L29-M261 HydrophobicContact CD2-SD 3.86Å; L29-L264 HydrophobicContact CD1-CD1 4.02Å; L29-L264 HydrophobicContact CD2-CD1 4.23Å
30G83.3Confident89.1Confident0 Ų042.2 Ų42.20%023%0.227CC..G310 helixtrans-65.7-31.817800000113.3G27 C28 K32 I33 L60G27-G30 PolarHBondContact O-N 3.48Å; C28-G30 PolarHBondContact O-N 3.46Å; G30-K32 PolarHBondContact O-N 2.87Å; G30-I33 WeakPolarHBondContact O-CB 3.48Å; G30-I33 PolarHBondContact O-N 3.39Å; G30-L60 VanDerWaalsContact O-CD1 3.25Å; G30-L60 WeakPolarHBondContact O-CD1 3.49Å
31E82.3Confident89Confident146 Ų14642.2 Ų42.268%0.68223%0.227SC*.G310 helixtrans-69-19.9-179.8-60.8174.9-173.700112.9C28 L29C28-E31 WeakPolarHBondContact O-CB 3.48Å; C28-E31 PolarHBondContact O-N 3.45Å; C28-E31 VanDerWaalsContact O-N 3.14Å; L29-E31 VanDerWaalsContact C-N 3.31Å; L29-E31 PolarHBondContact O-N 3.22Å
32K81.3Confident88.9Confident123 Ų12345.8 Ų45.854%0.53525%0.252SS..G310 helixtrans-90-13.9179-58.7-66.5-174.8-174.10112.5L29 G30 M261L29-K32 PolarHBondContact O-N 2.96Å; G30-K32 PolarHBondContact O-N 2.87Å; K32-M261 HydrophobicContact CB-CG 3.81Å; K32-M261 HydrophobicContact CB-SD 3.37Å; K32-M261 WeakPolarHBondContact CB-SD 3.46Å; K32-M261 HydrophobicContact CG-CG 3.82Å; K32-M261 HydrophobicContact CG-SD 3.82Å
33I85.9Confident88.9Confident1 Ų150.1 Ų50.11%0.00528%0.275CS..SBendtrans-69.7130.4165.3-59.1175.6000106.4L20 G30 P35 L64 V69 C71L20-I33 HydrophobicContact CD2-CD1 4.24Å; G30-I33 WeakPolarHBondContact O-CB 3.48Å; G30-I33 PolarHBondContact O-N 3.39Å; I33-P35 WeakPolarHBondContact O-CD 3.41Å; I33-L64 HydrophobicContact CG1-CB 4.49Å; I33-V69 HydrophobicContact CD1-CG1 4.25Å; I33-C71 HydrophobicContact CD1-CB 3.13Å
34K82.2Confident89Confident160 Ų16050.2 Ų50.270%0.69628%0.275SS*.EExtended strand (participates in β ladder)trans-71.598.1171.2-66.4179.4-178.4179.20107.6G62 T63K34-G62 WeakPolarHBondContact O-CA 3.22Å; K34-T63 PolarHBondContact N-O 3.27Å; K34-T63 PolarHBondContact O-N 3.08Å
35P75Confident89.1Confident76 Ų7653.5 Ų53.549%0.49430%0.296SS..EExtended strand (participates in β ladder)trans-83.6134.5-167.829.3-18000109I33 L60I33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-L60 HydrophobicContact CB-CD2 4.41Å
36T83.8Confident89.2Confident87 Ų8757.2 Ų57.253%0.53433%0.334SS..EExtended strand (participates in β ladder)trans-101-20.7168.945.50000111.9Y61T36-Y61 PolarHBondContact N-O 2.86Å; T36-Y61 VanDerWaalsContact OG1-CD1 3.31Å; T36-Y61 WeakPolarHBondContact OG1-CD1 3.45Å; T36-Y61 WeakPolarHBondContact OG1-CE1 3.03Å; T36-Y61 PolarHBondContact OG1-O 2.92Å
37V91.7Very high89.2Confident28 Ų2858 Ų5817%0.1734%0.337CS..EExtended strand (participates in β ladder)trans-143.7139.8178.9179.90000108.3Q11 V39 L60 Y61Q11-V37 HydrophobicContact CB-CG1 4.16Å; Q11-V37 VanDerWaalsContact O-CG2 3.23Å; Q11-V37 WeakPolarHBondContact O-CG2 3.14Å; V37-V39 HydrophobicContact CG1-CG2 3.74Å; V37-L60 WeakPolarHBondContact O-CA 3.35Å; V37-Y61 HydrophobicContact CB-CD1 4.3Å; V37-Y61 HydrophobicContact CG2-CD1 3.97Å; V37-Y61 PolarHBondContact N-O 3.16Å; V37-Y61 PolarHBondContact O-N 2.91Å
38A94.6Very high89.4Confident68 Ų6858.1 Ų58.156%0.56234%0.336SS*.EExtended strand (participates in β ladder)trans-137.6122.7171.500000108.6I58 L59 L60A38-I58 HydrophobicContact CB-CG2 4.19Å; A38-L59 WeakPolarHBondContact CA-O 3.42Å; A38-L60 HydrophobicContact CB-CD2 3.5Å
39V94.7Very high89.6Confident11 Ų1160.6 Ų60.67%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-127.7127.5-178.3-166.90000108.5F7 V37 D43 I44 L59F7-V39 HydrophobicContact CE1-CG1 4.45Å; V37-V39 HydrophobicContact CG1-CG2 3.74Å; V39-D43 HydrophobicContact CG1-CB 4.06Å; V39-I44 HydrophobicContact CB-CG1 4.37Å; V39-I44 HydrophobicContact CG1-CD1 4.31Å; V39-I44 HydrophobicContact CG1-CG1 3.67Å; V39-L59 PolarHBondContact N-O 3.17Å; V39-L59 PolarHBondContact O-N 3.25Å
40K95.8Very high89.7Confident126 Ų12661.5 Ų61.555%0.54836%0.356SS..EExtended strand (participates in β ladder)trans-67.6146.4172.9-62.8178.3177.7178.40109.5S42 D43 G57K40-S42 PolarHBondContact O-N 3.14Å; K40-D43 WeakPolarHBondContact CB-OD2 3.25Å; K40-D43 PolarHBondContact O-N 2.99Å; K40-G57 CarbonylContact C-O 3.58Å; K40-G57 WeakPolarHBondContact CA-O 3.36Å
41Y96.4Very high90Very high3 Ų366.2 Ų66.21%0.01239%0.389CS..G310 helixtrans-56.2-37.7176.7-67.9-4.2000111.8D43 I44 F47 T50 G57 L59 M72 Q73 G74 F76Y41-D43 PolarHBondContact O-N 2.81Å; Y41-I44 HydrophobicContact CD1-CD1 4.47Å; Y41-I44 PolarHBondContact O-N 2.93Å; Y41-I44 VanDerWaalsContact O-N 3.14Å; Y41-F47 HydrophobicContact CD1-CD1 4.02Å; Y41-F47 AromaticContact CD1-CE1 3.63Å; Y41-F47 HydrophobicContact CD1-CE1 3.63Å; Y41-F47 HydrophobicContact CD2-CD1 4.44Å; Y41-F47 HydrophobicContact CD2-CE1 4.16Å; Y41-F47 AromaticContact CE1-CE1 3.96Å; Y41-F47 HydrophobicContact CE1-CE1 3.96Å; Y41-F47 HydrophobicContact CE2-CE1 4.45Å; Y41-F47 AromaticContact CG-CD1 3.86Å; Y41-F47 HydrophobicContact CG-CD1 3.86Å; Y41-F47 AromaticContact CG-CE1 3.77Å; Y41-F47 HydrophobicContact CG-CE1 3.77Å; Y41-T50 HydrophobicContact CD2-CG2 4.37Å; Y41-T50 HydrophobicContact CE2-CG2 4.41Å; Y41-G57 WeakPolarHBondContact CD1-O 3.34Å; Y41-G57 VanDerWaalsContact CD2-CA 3.49Å; Y41-G57 PolarHBondContact N-O 2.87Å; Y41-L59 HydrophobicContact CD1-CB 4.26Å; Y41-L59 HydrophobicContact CE1-CB 3.93Å; Y41-M72 HydrophobicContact CE1-CE 4.38Å; Y41-M72 HydrophobicContact CE1-CG 4.46Å; Y41-M72 HydrophobicContact CE2-CE 4.13Å; Y41-M72 VanDerWaalsContact OH-CA 3.28Å; Y41-M72 WeakPolarHBondContact OH-CA 3.45Å; Y41-M72 WeakPolarHBondContact OH-CB 3.48Å; Y41-M72 WeakPolarHBondContact OH-CE 3.44Å; Y41-M72 WeakPolarHBondContact OH-CG 3.39Å; Y41-Q73 PolarHBondContact OH-N 3.06Å; Y41-G74 PolarHBondContact OH-O 3.16Å; Y41-F76 AromaticContact CD2-CE1 3.72Å; Y41-F76 HydrophobicContact CD2-CE1 3.72Å; Y41-F76 AromaticContact CD2-CZ 3.59Å; Y41-F76 HydrophobicContact CD2-CZ 3.59Å; Y41-F76 AromaticContact CE2-CE1 3.98Å; Y41-F76 HydrophobicContact CE2-CE1 3.98Å; Y41-F76 AromaticContact CE2-CZ 3.78Å; Y41-F76 HydrophobicContact CE2-CZ 3.78Å; Y41-F76 HydrophobicContact CG-CZ 4.37Å
42S95.6Very high90.2Very high76 Ų7660 Ų6053%0.53136%0.361SS..G310 helixtrans-59.9-2517558.10000114.5K40 I44K40-S42 PolarHBondContact O-N 3.14Å; S42-I44 VanDerWaalsContact C-N 3.35Å
43D95.7Very high90.1Very high92 Ų9260.6 Ų60.649%0.49237%0.366SS..G310 helixtrans-93.1-2.4-176.1-54.1-17.9000111.3F7 V39 K40 Y41 P45F7-D43 WeakPolarHBondContact CZ-O 3.46Å; V39-D43 HydrophobicContact CG1-CB 4.06Å; K40-D43 WeakPolarHBondContact CB-OD2 3.25Å; K40-D43 PolarHBondContact O-N 2.99Å; Y41-D43 PolarHBondContact O-N 2.81Å; D43-P45 WeakPolarHBondContact O-CD 3.33Å
44I96.2Very high89.9Confident3 Ų362.2 Ų62.22%0.01538%0.383CS..SBendtrans-98.2112.9177.8-54.4169.7000108.5V4 F7 L8 V39 Y41 S42 G46 F47 L59V4-I44 HydrophobicContact CG1-CG2 3.51Å; F7-I44 HydrophobicContact CD1-CG2 4.11Å; F7-I44 HydrophobicContact CE1-CB 4.4Å; F7-I44 HydrophobicContact CE1-CG1 4.22Å; F7-I44 HydrophobicContact CE1-CG2 4.35Å; L8-I44 HydrophobicContact CD2-CD1 3.97Å; L8-I44 HydrophobicContact CD2-CG1 4.18Å; V39-I44 HydrophobicContact CB-CG1 4.37Å; V39-I44 HydrophobicContact CG1-CD1 4.31Å; V39-I44 HydrophobicContact CG1-CG1 3.67Å; Y41-I44 HydrophobicContact CD1-CD1 4.47Å; Y41-I44 PolarHBondContact O-N 2.93Å; Y41-I44 VanDerWaalsContact O-N 3.14Å; S42-I44 VanDerWaalsContact C-N 3.35Å; I44-G46 PolarHBondContact O-N 3.23Å; I44-G46 VanDerWaalsContact O-N 3.17Å; I44-F47 HydrophobicContact CB-CB 3.63Å; I44-F47 HydrophobicContact CB-CG 4.13Å; I44-F47 HydrophobicContact CD1-CD1 4.17Å; I44-F47 HydrophobicContact CD1-CE1 4.43Å; I44-F47 HydrophobicContact CD1-CG 4.26Å; I44-F47 HydrophobicContact CG2-CB 3.67Å; I44-F47 HydrophobicContact CG2-CD2 4.14Å; I44-F47 HydrophobicContact CG2-CG 4.04Å; I44-F47 WeakPolarHBondContact O-CB 3.37Å; I44-F47 PolarHBondContact O-N 3.12Å; I44-F47 VanDerWaalsContact O-N 3.08Å; I44-L59 HydrophobicContact CD1-CB 4.15Å; I44-L59 HydrophobicContact CD1-CD1 4.25Å
45P93.1Very high90.1Very high83 Ų8355.5 Ų55.554%0.53935%0.354SS..THydrogen-bonded Turntrans-59.2120.4-174.5-26.835.3000113.7V4 F7 D43 F47V4-P45 VanDerWaalsContact CG2-O 3.25Å; V4-P45 WeakPolarHBondContact CG2-O 3.23Å; F7-P45 HydrophobicContact CD2-CG 4.33Å; F7-P45 HydrophobicContact CE2-CG 4.36Å; D43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-F47 VanDerWaalsContact C-N 3.28Å; P45-F47 PolarHBondContact O-N 3.3Å
46G89.3Confident90.8Very high84 Ų8454.8 Ų54.887%0.86636%0.355SS*.THydrogen-bonded Turntrans73.415.917900000114.6I44I44-G46 PolarHBondContact O-N 3.23Å; I44-G46 VanDerWaalsContact O-N 3.17Å
47F93.6Very high91.3Very high16 Ų1651.1 Ų51.17%0.0733%0.334CS..  trans-86.9143.3171.2-154.4-106.2000110V4 Y41 I44 P45 M72 F76 P90 I93V4-F47 HydrophobicContact CG1-CD2 4Å; Y41-F47 HydrophobicContact CD1-CD1 4.02Å; Y41-F47 AromaticContact CD1-CE1 3.63Å; Y41-F47 HydrophobicContact CD1-CE1 3.63Å; Y41-F47 HydrophobicContact CD2-CD1 4.44Å; Y41-F47 HydrophobicContact CD2-CE1 4.16Å; Y41-F47 AromaticContact CE1-CE1 3.96Å; Y41-F47 HydrophobicContact CE1-CE1 3.96Å; Y41-F47 HydrophobicContact CE2-CE1 4.45Å; Y41-F47 AromaticContact CG-CD1 3.86Å; Y41-F47 HydrophobicContact CG-CD1 3.86Å; Y41-F47 AromaticContact CG-CE1 3.77Å; Y41-F47 HydrophobicContact CG-CE1 3.77Å; I44-F47 HydrophobicContact CB-CB 3.63Å; I44-F47 HydrophobicContact CB-CG 4.13Å; I44-F47 HydrophobicContact CD1-CD1 4.17Å; I44-F47 HydrophobicContact CD1-CE1 4.43Å; I44-F47 HydrophobicContact CD1-CG 4.26Å; I44-F47 HydrophobicContact CG2-CB 3.67Å; I44-F47 HydrophobicContact CG2-CD2 4.14Å; I44-F47 HydrophobicContact CG2-CG 4.04Å; I44-F47 WeakPolarHBondContact O-CB 3.37Å; I44-F47 PolarHBondContact O-N 3.12Å; I44-F47 VanDerWaalsContact O-N 3.08Å; P45-F47 VanDerWaalsContact C-N 3.28Å; P45-F47 PolarHBondContact O-N 3.3Å; F47-M72 HydrophobicContact CE1-CE 4.22Å; F47-M72 HydrophobicContact CZ-CE 4.06Å; F47-F76 HydrophobicContact CD1-CE2 4.41Å; F47-F76 AromaticContact CD1-CZ 3.95Å; F47-F76 HydrophobicContact CD1-CZ 3.95Å; F47-F76 AromaticContact CE1-CE2 3.9Å; F47-F76 HydrophobicContact CE1-CE2 3.9Å; F47-F76 AromaticContact CE1-CZ 3.65Å; F47-F76 HydrophobicContact CE1-CZ 3.65Å; F47-F76 HydrophobicContact CZ-CE2 4.29Å; F47-F76 HydrophobicContact CZ-CZ 4.47Å; F47-P90 HydrophobicContact CE2-CB 4.16Å; F47-P90 HydrophobicContact CE2-CG 4.1Å; F47-P90 HydrophobicContact CZ-CB 3.86Å; F47-P90 HydrophobicContact CZ-CG 3.77Å; F47-I93 HydrophobicContact CD2-CD1 3.84Å; F47-I93 HydrophobicContact CE2-CD1 3.63Å
48P92Very high91.5Very high14 Ų1451.9 Ų51.99%0.09134%0.337CS..  trans-65.5158177.2-15.528.7000112F76 Y82P48-F76 VanDerWaalsContact C-CE1 3.47Å; P48-F76 HydrophobicContact CB-CD1 3.86Å; P48-F76 HydrophobicContact CB-CD2 4Å; P48-F76 HydrophobicContact CB-CE1 3.69Å; P48-F76 HydrophobicContact CB-CE2 3.82Å; P48-F76 HydrophobicContact CB-CG 4.02Å; P48-F76 HydrophobicContact CB-CZ 3.66Å; P48-F76 HydrophobicContact CG-CD2 4.04Å; P48-F76 HydrophobicContact CG-CE2 3.81Å; P48-F76 HydrophobicContact CG-CG 4.5Å; P48-F76 HydrophobicContact CG-CZ 4.11Å; P48-F76 VanDerWaalsContact O-CE1 3.25Å; P48-F76 WeakPolarHBondContact O-CE1 3.38Å; P48-F76 WeakPolarHBondContact O-CZ 3.24Å; P48-Y82 HydrophobicContact CB-CD1 4.36Å; P48-Y82 HydrophobicContact CB-CE1 3.86Å; P48-Y82 HydrophobicContact CB-CE2 4.33Å
49V91.8Very high91.5Very high74 Ų7448.9 Ų48.945%0.44831%0.311SS..  trans-120.7125.2177.8-177.70000109.3Y82V49-Y82 PolarHBondContact N-OH 2.94Å; V49-Y82 WeakPolarHBondContact O-CE2 3.3Å; V49-Y82 PolarHBondContact O-OH 3.17Å
50T89.8Confident91.6Very high20 Ų2048.9 Ų48.912%0.12331%0.311CS..  trans-82.3141.9-179.5-175.20000110.8Y41 T52 H55 R75 E80Y41-T50 HydrophobicContact CD2-CG2 4.37Å; Y41-T50 HydrophobicContact CE2-CG2 4.41Å; T50-T52 PolarHBondContact OG1-N 2.92Å; T50-H55 HydrophobicContact CG2-CB 3.54Å; T50-H55 PolarHBondContact OG1-ND1 3.01Å; T50-H55 VanDerWaalsContact OG1-ND1 3.13Å; T50-R75 PolarHBondContact OG1-O 2.93Å; T50-E80 WeakPolarHBondContact CA-OE1 3.31Å; T50-E80 PolarHBondContact OG1-OE1 2.88Å
51S88.6Confident91.6Very high100 Ų10042.9 Ų42.970%0.69929%0.285SS*.  trans-108.9-5.317257.90000112.2E53 E80S51-E53 PolarHBondContact O-N 3Å; S51-E80 PolarHBondContact N-OE1 2.65Å; S51-E80 PolarHBondContact OG-OE1 2.89Å
52T86.5Confident91.6Very high15 Ų1542.7 Ų42.79%0.09228%0.284CS..SBendtrans-67.4127.8-178.9-56.30000111.5T50 H55 E80T50-T52 PolarHBondContact OG1-N 2.92Å; T52-H55 WeakPolarHBondContact O-CB 3.35Å; T52-H55 PolarHBondContact O-N 3.1Å; T52-E80 PolarHBondContact N-OE1 3.46Å; T52-E80 PolarHBondContact OG1-OE1 3.23Å
53E80.8Confident91.6Very high136 Ų13641.1 Ų41.164%0.63627%0.271SS*.THydrogen-bonded Turntrans-62.1137.1174.9-174.4-178.3-178.400111.4S51 H246S51-E53 PolarHBondContact O-N 3Å; E53-H246 PolarHBondContact O-NE2 2.79Å; E53-H246 IonicContact OE2-CD2 3.87Å
54G80.1Confident91.6Very high35 Ų3537.2 Ų37.236%0.36125%0.25SS..THydrogen-bonded Turntrans89.1-1.3-175.100000114.3
55H87.1Confident91.5Very high18 Ų1837.8 Ų37.88%0.08326%0.257CS..  trans-101.6113.2169.8-69.1-174.8000110.8T50 T52 G57 G74 R75 H77T50-H55 HydrophobicContact CG2-CB 3.54Å; T50-H55 PolarHBondContact OG1-ND1 3.01Å; T50-H55 VanDerWaalsContact OG1-ND1 3.13Å; T52-H55 WeakPolarHBondContact O-CB 3.35Å; T52-H55 PolarHBondContact O-N 3.1Å; H55-G57 PolarHBondContact O-N 3.04Å; H55-G74 VanDerWaalsContact CG-CA 3.42Å; H55-R75 PolarHBondContact CE1-N 3.14Å; H55-R75 PolarHBondContact CE1-O 3.26Å; H55-R75 PolarHBondContact ND1-N 3Å; H55-R75 PolarHBondContact ND1-O 3.35Å; H55-H77 AromaticContact CE1-CE1 3.25Å; H55-H77 PolarHBondContact CE1-CE1 3.18Å; H55-H77 AromaticContact CE1-ND1 3.79Å; H55-H77 AromaticContact NE2-CE1 3.9Å
56A90Very high91.5Very high62 Ų6237.3 Ų37.351%0.51227%0.267SS..  trans-70-21.8-178.500000113.2I58 Q73A56-I58 HydrophobicContact CB-CD1 4.2Å; A56-I58 HydrophobicContact CB-CG1 4.28Å; A56-Q73 HydrophobicContact CB-CB 3.97Å; A56-Q73 PolarHBondContact N-O 2.98Å; A56-Q73 VanDerWaalsContact N-O 3.16Å
57G94.1Very high91.8Very high10 Ų1035.6 Ų35.610%0.10324%0.236CC..  trans70.438.1179.900000112.6K40 Y41 H55 Q73K40-G57 CarbonylContact C-O 3.58Å; K40-G57 WeakPolarHBondContact CA-O 3.36Å; Y41-G57 WeakPolarHBondContact CD1-O 3.34Å; Y41-G57 VanDerWaalsContact CD2-CA 3.49Å; Y41-G57 PolarHBondContact N-O 2.87Å; H55-G57 PolarHBondContact O-N 3.04Å; G57-Q73 PolarHBondContact N-O 3.35Å
58I94.9Very high91.9Very high44 Ų4437.3 Ų37.323%0.22624%0.241CC..EExtended strand (participates in β ladder)trans-124.1131.1-176.4-58.1173.1000109.9A38 A56 L60 Q73A38-I58 HydrophobicContact CB-CG2 4.19Å; A56-I58 HydrophobicContact CB-CD1 4.2Å; A56-I58 HydrophobicContact CB-CG1 4.28Å; I58-L60 HydrophobicContact CG2-CD2 3.6Å; I58-L60 HydrophobicContact CG2-CG 4.13Å; I58-Q73 HydrophobicContact CB-CB 4.47Å; I58-Q73 PolarHBondContact O-N 3.16Å
59L96.2Very high92.2Very high4 Ų436.6 Ų36.62%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-97.4117.6169.2-172.2148.2000108.8L8 M12 A38 V39 Y41 I44 V70 C71L8-L59 HydrophobicContact CD1-CD1 3.87Å; L8-L59 HydrophobicContact CD2-CD1 4.45Å; L8-L59 HydrophobicContact CD2-CD2 4.1Å; M12-L59 HydrophobicContact CE-CD2 4.3Å; A38-L59 WeakPolarHBondContact CA-O 3.42Å; V39-L59 PolarHBondContact N-O 3.17Å; V39-L59 PolarHBondContact O-N 3.25Å; Y41-L59 HydrophobicContact CD1-CB 4.26Å; Y41-L59 HydrophobicContact CE1-CB 3.93Å; I44-L59 HydrophobicContact CD1-CB 4.15Å; I44-L59 HydrophobicContact CD1-CD1 4.25Å; L59-V70 HydrophobicContact CD1-CG2 4.04Å; L59-V70 HydrophobicContact CD2-CG2 3.59Å; L59-V70 HydrophobicContact CG-CG2 3.8Å; L59-C71 CarbonylContact C-O 3.55Å; L59-C71 WeakPolarHBondContact CA-O 3.28Å
60L96.3Very high92.5Very high11 Ų1133.1 Ų33.16%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-101.7142.6177.9-57.7176.1000109.8G30 P35 V37 A38 I58 V70 C71 Q73G30-L60 VanDerWaalsContact O-CD1 3.25Å; G30-L60 WeakPolarHBondContact O-CD1 3.49Å; P35-L60 HydrophobicContact CB-CD2 4.41Å; V37-L60 WeakPolarHBondContact O-CA 3.35Å; A38-L60 HydrophobicContact CB-CD2 3.5Å; I58-L60 HydrophobicContact CG2-CD2 3.6Å; I58-L60 HydrophobicContact CG2-CG 4.13Å; L60-V70 CarbonylContact O-C 3.55Å; L60-V70 VanDerWaalsContact O-CA 3.29Å; L60-V70 WeakPolarHBondContact O-CA 3.45Å; L60-C71 HydrophobicContact CB-CB 4.26Å; L60-C71 PolarHBondContact N-O 3.04Å; L60-C71 PolarHBondContact O-N 2.87Å; L60-Q73 HydrophobicContact CD1-CG 4.04Å
61Y96.7Very high92.8Very high0 Ų032.1 Ų32.10%021%0.21CC..EExtended strand (participates in β ladder)trans-127.5127.9165.4163.1-95000109.7M12 T13 E14 T36 V37 R68 V69M12-Y61 HydrophobicContact CB-CD1 4.24Å; M12-Y61 HydrophobicContact CB-CD2 4.43Å; M12-Y61 HydrophobicContact CB-CE1 3.99Å; M12-Y61 HydrophobicContact CB-CE2 4.17Å; M12-Y61 HydrophobicContact CB-CG 4.45Å; M12-Y61 HydrophobicContact CE-CD2 4.33Å; M12-Y61 HydrophobicContact CE-CG 4.31Å; M12-Y61 HydrophobicContact CG-CD1 3.88Å; M12-Y61 HydrophobicContact CG-CD2 3.88Å; M12-Y61 HydrophobicContact CG-CE1 4.15Å; M12-Y61 HydrophobicContact CG-CE2 4.12Å; M12-Y61 HydrophobicContact CG-CG 3.75Å; M12-Y61 HydrophobicContact SD-CD2 3.91Å; M12-Y61 HydrophobicContact SD-CE2 4.28Å; M12-Y61 HydrophobicContact SD-CG 4.24Å; T13-Y61 PolarHBondContact OG1-OH 3.38Å; T13-Y61 VanDerWaalsContact OG1-OH 3.06Å; E14-Y61 WeakPolarHBondContact CG-OH 2.89Å; E14-Y61 PolarHBondContact N-OH 3.41Å; E14-Y61 PolarHBondContact O-OH 3.06Å; T36-Y61 PolarHBondContact N-O 2.86Å; T36-Y61 VanDerWaalsContact OG1-CD1 3.31Å; T36-Y61 WeakPolarHBondContact OG1-CD1 3.45Å; T36-Y61 WeakPolarHBondContact OG1-CE1 3.03Å; T36-Y61 PolarHBondContact OG1-O 2.92Å; V37-Y61 HydrophobicContact CB-CD1 4.3Å; V37-Y61 HydrophobicContact CG2-CD1 3.97Å; V37-Y61 PolarHBondContact N-O 3.16Å; V37-Y61 PolarHBondContact O-N 2.91Å; Y61-R68 HydrophobicContact CE2-CB 4.35Å; Y61-R68 WeakPolarHBondContact OH-CD 3.37Å; Y61-V69 WeakPolarHBondContact CA-O 3.48Å
62G96Very high93.2Very high0 Ų027.5 Ų27.50%018%0.177CC..EExtended strand (participates in β ladder)trans-171-153.1-171.600000112.8K34 R68 V69K34-G62 WeakPolarHBondContact O-CA 3.22Å; G62-R68 WeakPolarHBondContact O-CA 3.47Å; G62-V69 PolarHBondContact N-O 2.9Å; G62-V69 PolarHBondContact O-N 3.39Å
63T95.7Very high93.6Very high43 Ų4327.5 Ų27.526%0.26418%0.176SC..EExtended strand (participates in β ladder)trans-121.7140.8177.457.10000112.9K34 K67K34-T63 PolarHBondContact N-O 3.27Å; K34-T63 PolarHBondContact O-N 3.08Å; T63-K67 CarbonylContact C-O 3.46Å; T63-K67 WeakPolarHBondContact CA-O 3.45Å
64L95.3Very high94.3Very high10 Ų1021 Ų215%0.05215%0.146CC..EExtended strand (participates in β ladder)trans-139.6128171.1-175.865.9000109.5I33 G66 K67 V69 M261 E265 C268I33-L64 HydrophobicContact CG1-CB 4.49Å; L64-G66 PolarHBondContact O-N 2.89Å; L64-G66 VanDerWaalsContact O-N 3.12Å; L64-K67 PolarHBondContact N-O 3.25Å; L64-K67 PolarHBondContact O-N 3.03Å; L64-V69 HydrophobicContact CB-CG2 3.74Å; L64-M261 HydrophobicContact CD1-CE 3.26Å; L64-M261 HydrophobicContact CD2-CE 3.67Å; L64-M261 HydrophobicContact CG-CE 4.06Å; L64-E265 HydrophobicContact CD1-CB 4.16Å; L64-E265 HydrophobicContact CD1-CG 4.1Å; L64-C268 HydrophobicContact CG-CB 4.41Å; L64-C268 WeakPolarHBondContact O-CB 3.33Å
65G93.2Very high95.1Very high14 Ų1419.5 Ų19.514%0.14413%0.129CC..THydrogen-bonded Turntrans5727.9-177.100000113.9K67 K269G65-K67 VanDerWaalsContact C-N 3.26Å; G65-K67 PolarHBondContact O-N 3.06Å; G65-K269 WeakPolarHBondContact O-CA 3.28Å; G65-K269 WeakPolarHBondContact O-CG 3.49Å
66G93.7Very high95.5Very high73 Ų7318.8 Ų18.875%0.75313%0.126SC*.THydrogen-bonded Turntrans78.10.3-174.800000115.2L64L64-G66 PolarHBondContact O-N 2.89Å; L64-G66 VanDerWaalsContact O-N 3.12Å
67K95.2Very high95.8Very high49 Ų4916.1 Ų16.121%0.21310%0.103CC..EExtended strand (participates in β ladder)trans-100.9151.2176.8-58.8-62.4172.61570111.8L17 T63 L64 G65 C268 L271L17-K67 HydrophobicContact CD1-CD 3.93Å; T63-K67 CarbonylContact C-O 3.46Å; T63-K67 WeakPolarHBondContact CA-O 3.45Å; L64-K67 PolarHBondContact N-O 3.25Å; L64-K67 PolarHBondContact O-N 3.03Å; G65-K67 VanDerWaalsContact C-N 3.26Å; G65-K67 PolarHBondContact O-N 3.06Å; K67-C268 HydrophobicContact CG-CB 4.4Å; K67-C268 WeakPolarHBondContact CG-O 3.45Å; K67-L271 VanDerWaalsContact CE-C 3.42Å; K67-L271 WeakPolarHBondContact CE-OXT 3.27Å; K67-L271 PolarHBondContact NZ-O 2.73Å; K67-L271 PolarHBondContact NZ-OXT 2.96Å
68R96.8Very high95.9Very high51 Ų5117.5 Ų17.519%0.19211%0.111CC..EExtended strand (participates in β ladder)trans-77124.4172.3-69.4-69.7-176.4174.110.5110.6E14 L17 V18 Y61 G62E14-R68 VanDerWaalsContact CD-CG 3.47Å; E14-R68 VanDerWaalsContact CD-NE 3.28Å; E14-R68 HydrophobicContact CG-CG 3.71Å; E14-R68 IonicContact OE1-CZ 2.89Å; E14-R68 IonicContact OE1-NE 3.63Å; E14-R68 PolarHBondContact OE1-NE 3.02Å; E14-R68 IonicContact OE1-NH2 2.74Å; E14-R68 PolarHBondContact OE1-NH2 3.29Å; L17-R68 PolarHBondContact N-O 2.92Å; V18-R68 PolarHBondContact N-O 2.93Å; Y61-R68 HydrophobicContact CE2-CB 4.35Å; Y61-R68 WeakPolarHBondContact OH-CD 3.37Å; G62-R68 WeakPolarHBondContact O-CA 3.47Å
69V97.6Very high95.9Very high0 Ų018.6 Ų18.60%011%0.113CC..EExtended strand (participates in β ladder)trans-126.6136.9-175.2-176.60000109.4V18 L20 I33 Y61 G62 L64 C71V18-V69 HydrophobicContact CB-CG2 4.08Å; V18-V69 VanDerWaalsContact O-CA 3.32Å; V18-V69 WeakPolarHBondContact O-CA 3.35Å; L20-V69 HydrophobicContact CB-CG1 3.97Å; I33-V69 HydrophobicContact CD1-CG1 4.25Å; Y61-V69 WeakPolarHBondContact CA-O 3.48Å; G62-V69 PolarHBondContact N-O 2.9Å; G62-V69 PolarHBondContact O-N 3.39Å; L64-V69 HydrophobicContact CB-CG2 3.74Å; V69-C71 HydrophobicContact CG1-CB 4.46Å
70V97.3Very high95.8Very high0 Ų020.1 Ų20.10%012%0.12CC..EExtended strand (participates in β ladder)trans-102.6126.716060.20000108.1M12 P16 V18 G19 L20 L59 L60 M94M12-V70 HydrophobicContact CE-CG2 4.35Å; P16-V70 HydrophobicContact CB-CB 4.14Å; P16-V70 HydrophobicContact CB-CG1 3.96Å; P16-V70 HydrophobicContact CG-CB 4.26Å; P16-V70 HydrophobicContact CG-CG1 3.92Å; V18-V70 PolarHBondContact O-N 3.37Å; G19-V70 CarbonylContact C-O 3.55Å; G19-V70 WeakPolarHBondContact CA-O 3.47Å; L20-V70 PolarHBondContact N-O 3.24Å; L59-V70 HydrophobicContact CD1-CG2 4.04Å; L59-V70 HydrophobicContact CD2-CG2 3.59Å; L59-V70 HydrophobicContact CG-CG2 3.8Å; L60-V70 CarbonylContact O-C 3.55Å; L60-V70 VanDerWaalsContact O-CA 3.29Å; L60-V70 WeakPolarHBondContact O-CA 3.45Å; V70-M94 HydrophobicContact CG1-CB 4.31Å; V70-M94 HydrophobicContact CG1-CE 4.18Å; V70-M94 HydrophobicContact CG1-CG 3.68Å; V70-M94 HydrophobicContact CG1-SD 4.13Å
71C97.4Very high95.8Very high0 Ų022.8 Ų22.80%015%0.15CC..EExtended strand (participates in β ladder)trans-124.1132-174.2176.50000111.1L20 I33 L59 L60 V69L20-C71 HydrophobicContact CB-CB 4.12Å; L20-C71 HydrophobicContact CD2-CB 4.44Å; L20-C71 CarbonylContact O-C 3.57Å; L20-C71 VanDerWaalsContact O-CA 3.25Å; L20-C71 WeakPolarHBondContact O-CA 3.26Å; I33-C71 HydrophobicContact CD1-CB 3.13Å; L59-C71 CarbonylContact C-O 3.55Å; L59-C71 WeakPolarHBondContact CA-O 3.28Å; L60-C71 HydrophobicContact CB-CB 4.26Å; L60-C71 PolarHBondContact N-O 3.04Å; L60-C71 PolarHBondContact O-N 2.87Å; V69-C71 HydrophobicContact CG1-CB 4.46Å
72M97.2Very high95.7Very high3 Ų325.3 Ų25.32%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-100113.4174.7-80.3-176.77500109.6L20 V21 C22 Y41 F47 G74 F76 P90 M94L20-M72 PolarHBondContact O-N 2.71Å; V21-M72 HydrophobicContact CG1-CB 4.37Å; V21-M72 HydrophobicContact CG2-CB 4.43Å; V21-M72 HydrophobicContact CG2-SD 4.23Å; C22-M72 VanDerWaalsContact CB-O 3.23Å; C22-M72 WeakPolarHBondContact CB-O 3.48Å; C22-M72 PolarHBondContact N-O 2.94Å; Y41-M72 HydrophobicContact CE1-CE 4.38Å; Y41-M72 HydrophobicContact CE1-CG 4.46Å; Y41-M72 HydrophobicContact CE2-CE 4.13Å; Y41-M72 VanDerWaalsContact OH-CA 3.28Å; Y41-M72 WeakPolarHBondContact OH-CA 3.45Å; Y41-M72 WeakPolarHBondContact OH-CB 3.48Å; Y41-M72 WeakPolarHBondContact OH-CE 3.44Å; Y41-M72 WeakPolarHBondContact OH-CG 3.39Å; F47-M72 HydrophobicContact CE1-CE 4.22Å; F47-M72 HydrophobicContact CZ-CE 4.06Å; M72-G74 VanDerWaalsContact C-N 3.34Å; M72-G74 PolarHBondContact O-N 3.24Å; M72-G74 VanDerWaalsContact O-N 3.13Å; M72-F76 HydrophobicContact CE-CE2 3.88Å; M72-F76 HydrophobicContact CE-CZ 4.32Å; M72-P90 HydrophobicContact CE-CB 3.66Å; M72-P90 HydrophobicContact CE-CG 3.66Å; M72-P90 HydrophobicContact SD-CB 3.26Å; M72-P90 WeakPolarHBondContact SD-CB 3.5Å; M72-P90 HydrophobicContact SD-CG 3.99Å; M72-M94 HydrophobicContact CB-CE 4.31Å; M72-M94 HydrophobicContact CG-CE 3.52Å; M72-M94 HydrophobicContact SD-CE 3.56Å; M72-M94 VanDerWaalsContact SD-CE 3.56Å
73Q95.1Very high95.7Very high15 Ų1529 Ų297%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-83.183.1171.4-67.9-173.5-59.800109.8G27 Y41 A56 G57 I58 L60G27-Q73 PolarHBondContact O-NE2 2.98Å; Y41-Q73 PolarHBondContact OH-N 3.06Å; A56-Q73 HydrophobicContact CB-CB 3.97Å; A56-Q73 PolarHBondContact N-O 2.98Å; A56-Q73 VanDerWaalsContact N-O 3.16Å; G57-Q73 PolarHBondContact N-O 3.35Å; I58-Q73 HydrophobicContact CB-CB 4.47Å; I58-Q73 PolarHBondContact O-N 3.16Å; L60-Q73 HydrophobicContact CD1-CG 4.04Å
74G94.3Very high95.8Very high0 Ų027.8 Ų27.80%017%0.173CC..SBendtrans109159.2-172.900000111.9C22 Y41 H55 M72C22-G74 CarbonylContact O-C 3.52Å; C22-G74 WeakPolarHBondContact O-CA 3.41Å; C22-G74 PolarHBondContact O-N 3.47Å; C22-G74 VanDerWaalsContact O-N 3.13Å; Y41-G74 PolarHBondContact OH-O 3.16Å; H55-G74 VanDerWaalsContact CG-CA 3.42Å; M72-G74 VanDerWaalsContact C-N 3.34Å; M72-G74 PolarHBondContact O-N 3.24Å; M72-G74 VanDerWaalsContact O-N 3.13Å
75R96.4Very high95.8Very high2 Ų229 Ų291%0.00818%0.184CC..  trans-131.2-176.417964.7177.465.1-150.17.8110.6V21 T50 H55 T105 S211 E215V21-R75 HydrophobicContact CG1-CB 3.83Å; V21-R75 PolarHBondContact O-NH2 3.22Å; T50-R75 PolarHBondContact OG1-O 2.93Å; H55-R75 PolarHBondContact CE1-N 3.14Å; H55-R75 PolarHBondContact CE1-O 3.26Å; H55-R75 PolarHBondContact ND1-N 3Å; H55-R75 PolarHBondContact ND1-O 3.35Å; R75-T105 PolarHBondContact NH2-O 3.11Å; R75-S211 VanDerWaalsContact CD-CB 3.5Å; R75-S211 WeakPolarHBondContact CD-OG 3.31Å; R75-E215 WeakPolarHBondContact CD-OE1 3.43Å; R75-E215 IonicContact CZ-OE1 2.69Å; R75-E215 IonicContact NE-OE1 3.62Å; R75-E215 VanDerWaalsContact NH1-CD 3.32Å; R75-E215 IonicContact NH1-OE1 3.78Å; R75-E215 PolarHBondContact NH1-OE1 2.8Å; R75-E215 IonicContact NH1-OE2 2.66Å
76F96.7Very high96Very high3 Ų332 Ų321%0.01319%0.194CC..  trans-113.4149.1177.4-48.8-63.5000110Y41 F47 P48 M72 E80 Y82 C87 P90Y41-F76 AromaticContact CD2-CE1 3.72Å; Y41-F76 HydrophobicContact CD2-CE1 3.72Å; Y41-F76 AromaticContact CD2-CZ 3.59Å; Y41-F76 HydrophobicContact CD2-CZ 3.59Å; Y41-F76 AromaticContact CE2-CE1 3.98Å; Y41-F76 HydrophobicContact CE2-CE1 3.98Å; Y41-F76 AromaticContact CE2-CZ 3.78Å; Y41-F76 HydrophobicContact CE2-CZ 3.78Å; Y41-F76 HydrophobicContact CG-CZ 4.37Å; F47-F76 HydrophobicContact CD1-CE2 4.41Å; F47-F76 AromaticContact CD1-CZ 3.95Å; F47-F76 HydrophobicContact CD1-CZ 3.95Å; F47-F76 AromaticContact CE1-CE2 3.9Å; F47-F76 HydrophobicContact CE1-CE2 3.9Å; F47-F76 AromaticContact CE1-CZ 3.65Å; F47-F76 HydrophobicContact CE1-CZ 3.65Å; F47-F76 HydrophobicContact CZ-CE2 4.29Å; F47-F76 HydrophobicContact CZ-CZ 4.47Å; P48-F76 VanDerWaalsContact C-CE1 3.47Å; P48-F76 HydrophobicContact CB-CD1 3.86Å; P48-F76 HydrophobicContact CB-CD2 4Å; P48-F76 HydrophobicContact CB-CE1 3.69Å; P48-F76 HydrophobicContact CB-CE2 3.82Å; P48-F76 HydrophobicContact CB-CG 4.02Å; P48-F76 HydrophobicContact CB-CZ 3.66Å; P48-F76 HydrophobicContact CG-CD2 4.04Å; P48-F76 HydrophobicContact CG-CE2 3.81Å; P48-F76 HydrophobicContact CG-CG 4.5Å; P48-F76 HydrophobicContact CG-CZ 4.11Å; P48-F76 VanDerWaalsContact O-CE1 3.25Å; P48-F76 WeakPolarHBondContact O-CE1 3.38Å; P48-F76 WeakPolarHBondContact O-CZ 3.24Å; M72-F76 HydrophobicContact CE-CE2 3.88Å; M72-F76 HydrophobicContact CE-CZ 4.32Å; F76-E80 WeakPolarHBondContact CA-OE2 3.22Å; F76-Y82 HydrophobicContact CB-CD2 4.04Å; F76-Y82 HydrophobicContact CD1-CE2 4.21Å; F76-C87 HydrophobicContact CB-CB 4.31Å; F76-P90 HydrophobicContact CD2-CG 3.87Å; F76-P90 HydrophobicContact CE2-CG 3.51Å
77H96.2Very high96.1Very high6 Ų628.6 Ų28.63%0.02816%0.159CC..  trans-128.7148.6-177.9-58.6100.8000111.2H55 Y79 E80 C87 M210H55-H77 AromaticContact CE1-CE1 3.25Å; H55-H77 PolarHBondContact CE1-CE1 3.18Å; H55-H77 AromaticContact CE1-ND1 3.79Å; H55-H77 AromaticContact NE2-CE1 3.9Å; H77-Y79 HydrophobicContact CB-CD1 3.63Å; H77-Y79 HydrophobicContact CB-CD2 3.97Å; H77-Y79 HydrophobicContact CB-CE1 3.33Å; H77-Y79 HydrophobicContact CB-CE2 3.67Å; H77-Y79 HydrophobicContact CB-CG 3.94Å; H77-Y79 AromaticContact CD2-CE1 3.61Å; H77-Y79 AromaticContact CD2-CZ 3.79Å; H77-Y79 AromaticContact CE1-CZ 3.93Å; H77-Y79 PolarHBondContact CE1-OH 3.28Å; H77-Y79 AromaticContact CG-CE1 3.45Å; H77-Y79 VanDerWaalsContact CG-CE1 3.45Å; H77-Y79 AromaticContact CG-CE2 4Å; H77-Y79 AromaticContact CG-CZ 3.3Å; H77-Y79 VanDerWaalsContact CG-OH 3.28Å; H77-Y79 AromaticContact ND1-CZ 3.45Å; H77-Y79 PolarHBondContact ND1-OH 3.02Å; H77-Y79 PolarHBondContact O-N 3.21Å; H77-E80 HydrophobicContact CB-CG 4.3Å; H77-E80 PolarHBondContact N-OE2 3.09Å; H77-E80 IonicContact ND1-OE2 2.79Å; H77-E80 WeakPolarHBondContact O-CB 3.46Å; H77-E80 PolarHBondContact O-N 3.07Å; H77-C87 VanDerWaalsContact C-SG 3.53Å; H77-M210 PolarHBondContact CD2-O 2.57Å
78S95.7Very high96.2Very high39 Ų3926.3 Ų26.327%0.27315%0.149SC..G310 helixtrans-66.6-26179.1-56.50000113E80 G81 Y82 W214S78-E80 PolarHBondContact O-N 2.99Å; S78-G81 PolarHBondContact O-N 3.12Å; S78-Y82 VanDerWaalsContact CA-O 3.26Å; S78-Y82 WeakPolarHBondContact CA-O 3.46Å; S78-W214 PolarHBondContact OG-NE1 2.77Å; S78-W214 VanDerWaalsContact OG-NE1 3.16Å
79Y94.6Very high96.2Very high67 Ų6724.8 Ų24.826%0.26315%0.146SC..G310 helixtrans-68.1-14.6172.961.9-114000113.7H77 G81 P189 M210H77-Y79 HydrophobicContact CB-CD1 3.63Å; H77-Y79 HydrophobicContact CB-CD2 3.97Å; H77-Y79 HydrophobicContact CB-CE1 3.33Å; H77-Y79 HydrophobicContact CB-CE2 3.67Å; H77-Y79 HydrophobicContact CB-CG 3.94Å; H77-Y79 AromaticContact CD2-CE1 3.61Å; H77-Y79 AromaticContact CD2-CZ 3.79Å; H77-Y79 AromaticContact CE1-CZ 3.93Å; H77-Y79 PolarHBondContact CE1-OH 3.28Å; H77-Y79 AromaticContact CG-CE1 3.45Å; H77-Y79 VanDerWaalsContact CG-CE1 3.45Å; H77-Y79 AromaticContact CG-CE2 4Å; H77-Y79 AromaticContact CG-CZ 3.3Å; H77-Y79 VanDerWaalsContact CG-OH 3.28Å; H77-Y79 AromaticContact ND1-CZ 3.45Å; H77-Y79 PolarHBondContact ND1-OH 3.02Å; H77-Y79 PolarHBondContact O-N 3.21Å; Y79-G81 PolarHBondContact O-N 2.89Å; Y79-P189 HydrophobicContact CD2-CB 4.38Å; Y79-P189 HydrophobicContact CG-CB 4.1Å; Y79-M210 HydrophobicContact CD1-CB 4.4Å; Y79-M210 HydrophobicContact CD1-SD 4.32Å; Y79-M210 HydrophobicContact CE1-CB 3.98Å; Y79-M210 HydrophobicContact CE1-SD 4Å
80E95.1Very high96.2Very high36 Ų3625 Ų2517%0.16815%0.147CC..G310 helixtrans-79.2-1.7170.5-62.1172.8112.700111.7T50 S51 T52 F76 H77 S78 Y82T50-E80 WeakPolarHBondContact CA-OE1 3.31Å; T50-E80 PolarHBondContact OG1-OE1 2.88Å; S51-E80 PolarHBondContact N-OE1 2.65Å; S51-E80 PolarHBondContact OG-OE1 2.89Å; T52-E80 PolarHBondContact N-OE1 3.46Å; T52-E80 PolarHBondContact OG1-OE1 3.23Å; F76-E80 WeakPolarHBondContact CA-OE2 3.22Å; H77-E80 HydrophobicContact CB-CG 4.3Å; H77-E80 PolarHBondContact N-OE2 3.09Å; H77-E80 IonicContact ND1-OE2 2.79Å; H77-E80 WeakPolarHBondContact O-CB 3.46Å; H77-E80 PolarHBondContact O-N 3.07Å; S78-E80 PolarHBondContact O-N 2.99Å; E80-Y82 HydrophobicContact CB-CD2 3.83Å; E80-Y82 HydrophobicContact CB-CE2 4.03Å
81G95Very high96.3Very high68 Ų6825 Ų2570%0.70115%0.148SC*.THydrogen-bonded Turntrans95-0.5-17800000114.4S78 Y79S78-G81 PolarHBondContact O-N 3.12Å; Y79-G81 PolarHBondContact O-N 2.89Å
82Y95.9Very high96.3Very high52 Ų5226.4 Ų26.420%0.20415%0.153CC..  trans-76.2139.7175.9-66.4-58.1000111.8P48 V49 F76 S78 E80 E86P48-Y82 HydrophobicContact CB-CD1 4.36Å; P48-Y82 HydrophobicContact CB-CE1 3.86Å; P48-Y82 HydrophobicContact CB-CE2 4.33Å; V49-Y82 PolarHBondContact N-OH 2.94Å; V49-Y82 WeakPolarHBondContact O-CE2 3.3Å; V49-Y82 PolarHBondContact O-OH 3.17Å; F76-Y82 HydrophobicContact CB-CD2 4.04Å; F76-Y82 HydrophobicContact CD1-CE2 4.21Å; S78-Y82 VanDerWaalsContact CA-O 3.26Å; S78-Y82 WeakPolarHBondContact CA-O 3.46Å; E80-Y82 HydrophobicContact CB-CD2 3.83Å; E80-Y82 HydrophobicContact CB-CE2 4.03Å; Y82-E86 WeakPolarHBondContact CA-OE2 3.18Å; Y82-E86 HydrophobicContact CD1-CB 4.29Å
83D95.3Very high96.3Very high79 Ų7926.6 Ų26.642%0.42215%0.154SC..  trans-69158.6168.879.644.1000110.8A85 E86 C87D83-A85 PolarHBondContact O-N 3.06Å; D83-A85 VanDerWaalsContact OD1-CA 3.29Å; D83-A85 WeakPolarHBondContact OD1-CA 3.29Å; D83-A85 VanDerWaalsContact OD1-CB 3.28Å; D83-A85 WeakPolarHBondContact OD1-CB 3.32Å; D83-A85 PolarHBondContact OD1-N 3.4Å; D83-E86 PolarHBondContact N-OE2 2.95Å; D83-E86 WeakPolarHBondContact O-CB 3.33Å; D83-E86 PolarHBondContact O-N 3.41Å; D83-E86 VanDerWaalsContact O-N 3.16Å; D83-E86 PolarHBondContact OD1-N 2.94Å; D83-C87 PolarHBondContact O-N 3.24Å; D83-C87 PolarHBondContact O-SG 2.83Å; D83-C87 VanDerWaalsContact O-SG 3.35Å
84P97.1Very high96.4Very high17 Ų1726 Ų2611%0.1115%0.151CC..Hα-helixtrans-57.3-32.3-179.6-26.834.5000114.3C87 A88 I135 P137 W214P84-C87 PolarHBondContact O-N 3.18Å; P84-A88 VanDerWaalsContact O-CB 3.28Å; P84-A88 WeakPolarHBondContact O-CB 3.37Å; P84-A88 PolarHBondContact O-N 3.18Å; P84-I135 HydrophobicContact CG-CG2 3.49Å; P84-I135 VanDerWaalsContact CG-CG2 3.49Å; P84-P137 HydrophobicContact CB-CB 4.01Å; P84-P137 WeakPolarHBondContact O-CB 3.43Å; P84-W214 HydrophobicContact CB-CD2 3.96Å; P84-W214 HydrophobicContact CB-CE3 4.49Å; P84-W214 HydrophobicContact CB-CG 4.19Å; P84-W214 HydrophobicContact CB-CZ2 4.14Å; P84-W214 HydrophobicContact CG-CH2 4.49Å; P84-W214 HydrophobicContact CG-CZ2 3.94Å
85A96.4Very high96.6Very high34 Ų3427.6 Ų27.628%0.28116%0.159SC..Hα-helixtrans-73.2-35.3-179.900000111.3D83 A88 S89D83-A85 PolarHBondContact O-N 3.06Å; D83-A85 VanDerWaalsContact OD1-CA 3.29Å; D83-A85 WeakPolarHBondContact OD1-CA 3.29Å; D83-A85 VanDerWaalsContact OD1-CB 3.28Å; D83-A85 WeakPolarHBondContact OD1-CB 3.32Å; D83-A85 PolarHBondContact OD1-N 3.4Å; A85-A88 PolarHBondContact O-N 3.3Å; A85-S89 WeakPolarHBondContact O-CA 3.43Å; A85-S89 WeakPolarHBondContact O-CB 3.27Å; A85-S89 PolarHBondContact O-N 3.04Å
86E96.1Very high96.6Very high77 Ų7729.5 Ų29.536%0.3617%0.169SC..Hα-helixtrans-62.4-47.2169.7-69.3-179.7115.400110.7Y82 D83 A88 S89Y82-E86 WeakPolarHBondContact CA-OE2 3.18Å; Y82-E86 HydrophobicContact CD1-CB 4.29Å; D83-E86 PolarHBondContact N-OE2 2.95Å; D83-E86 WeakPolarHBondContact O-CB 3.33Å; D83-E86 PolarHBondContact O-N 3.41Å; D83-E86 VanDerWaalsContact O-N 3.16Å; D83-E86 PolarHBondContact OD1-N 2.94Å; E86-A88 PolarHBondContact O-N 3.47Å; E86-S89 WeakPolarHBondContact O-CB 3.33Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-S89 PolarHBondContact O-OG 3.46Å
87C97Very high96.7Very high2 Ų229.4 Ų29.41%0.01417%0.169CC..Hα-helixtrans-57.6-40.5176.8-60.80000112.4F76 H77 D83 P84 P90F76-C87 HydrophobicContact CB-CB 4.31Å; H77-C87 VanDerWaalsContact C-SG 3.53Å; D83-C87 PolarHBondContact O-N 3.24Å; D83-C87 PolarHBondContact O-SG 2.83Å; D83-C87 VanDerWaalsContact O-SG 3.35Å; P84-C87 PolarHBondContact O-N 3.18Å; C87-P90 VanDerWaalsContact O-CD 3.3Å; C87-P90 WeakPolarHBondContact O-CD 3.5Å
88A97.5Very high96.7Very high1 Ų130 Ų301%0.00818%0.176CC..Hα-helixtrans-87.5-12.8-176.400000113.7P84 A85 E86 P90 I91 P137 W214 V218P84-A88 VanDerWaalsContact O-CB 3.28Å; P84-A88 WeakPolarHBondContact O-CB 3.37Å; P84-A88 PolarHBondContact O-N 3.18Å; A85-A88 PolarHBondContact O-N 3.3Å; E86-A88 PolarHBondContact O-N 3.47Å; A88-P90 VanDerWaalsContact C-N 3.3Å; A88-I91 WeakPolarHBondContact O-CB 3.37Å; A88-I91 PolarHBondContact O-N 3.4Å; A88-P137 HydrophobicContact CB-CB 3.93Å; A88-W214 HydrophobicContact CB-CB 4.18Å; A88-V218 HydrophobicContact CB-CB 4.21Å; A88-V218 HydrophobicContact CB-CG1 3.56Å; A88-V218 HydrophobicContact CB-CG2 3.6Å
89S96.7Very high96.9Very high19 Ų1928.1 Ų28.113%0.13316%0.163CC..Hα-helixtrans-54-33.8-176.872.70000115.2A85 E86 I91 R92 I93A85-S89 WeakPolarHBondContact O-CA 3.43Å; A85-S89 WeakPolarHBondContact O-CB 3.27Å; A85-S89 PolarHBondContact O-N 3.04Å; E86-S89 WeakPolarHBondContact O-CB 3.33Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-S89 PolarHBondContact O-OG 3.46Å; S89-I91 VanDerWaalsContact C-N 3.25Å; S89-I91 PolarHBondContact O-N 2.89Å; S89-R92 PolarHBondContact O-N 3.06Å; S89-I93 WeakPolarHBondContact O-CG1 3.36Å; S89-I93 PolarHBondContact O-N 2.65Å
90P97.4Very high97Very high4 Ų431.4 Ų31.43%0.02618%0.175CC..Hα-helixtrans-62.6-31.9177.2-2538.1000113.3F47 M72 F76 C87 A88 I93 M94F47-P90 HydrophobicContact CE2-CB 4.16Å; F47-P90 HydrophobicContact CE2-CG 4.1Å; F47-P90 HydrophobicContact CZ-CB 3.86Å; F47-P90 HydrophobicContact CZ-CG 3.77Å; M72-P90 HydrophobicContact CE-CB 3.66Å; M72-P90 HydrophobicContact CE-CG 3.66Å; M72-P90 HydrophobicContact SD-CB 3.26Å; M72-P90 WeakPolarHBondContact SD-CB 3.5Å; M72-P90 HydrophobicContact SD-CG 3.99Å; F76-P90 HydrophobicContact CD2-CG 3.87Å; F76-P90 HydrophobicContact CE2-CG 3.51Å; C87-P90 VanDerWaalsContact O-CD 3.3Å; C87-P90 WeakPolarHBondContact O-CD 3.5Å; A88-P90 VanDerWaalsContact C-N 3.3Å; P90-I93 CarbonylContact O-C 3.52Å; P90-I93 WeakPolarHBondContact O-CB 3.39Å; P90-I93 PolarHBondContact O-N 3.13Å; P90-M94 VanDerWaalsContact O-CG 3.31Å; P90-M94 WeakPolarHBondContact O-CG 3.35Å; P90-M94 PolarHBondContact O-N 3.05Å
91I98.4Very high97.2Very high2 Ų230.3 Ų30.31%0.0117%0.171CC..Hα-helixtrans-65.9-43.7178.1-55.1-49.7000110.8V21 A88 S89 I93 M94 H95 V102 L104 E215 V218 A219 M224V21-I91 HydrophobicContact CG2-CD1 3.81Å; A88-I91 WeakPolarHBondContact O-CB 3.37Å; A88-I91 PolarHBondContact O-N 3.4Å; S89-I91 VanDerWaalsContact C-N 3.25Å; S89-I91 PolarHBondContact O-N 2.89Å; I91-I93 VanDerWaalsContact C-N 3.27Å; I91-I93 PolarHBondContact O-N 2.77Å; I91-M94 HydrophobicContact CD1-SD 4.36Å; I91-M94 WeakPolarHBondContact O-CB 3.36Å; I91-M94 PolarHBondContact O-N 2.79Å; I91-H95 PolarHBondContact O-N 2.82Å; I91-V102 HydrophobicContact CD1-CG2 4.06Å; I91-L104 HydrophobicContact CD1-CD2 4.1Å; I91-E215 HydrophobicContact CD1-CB 3.97Å; I91-E215 HydrophobicContact CD1-CG 4.14Å; I91-E215 HydrophobicContact CG1-CB 3.65Å; I91-E215 HydrophobicContact CG1-CG 3.88Å; I91-V218 HydrophobicContact CB-CG2 3.6Å; I91-V218 HydrophobicContact CG1-CG2 4.02Å; I91-V218 HydrophobicContact CG2-CG2 3.78Å; I91-A219 HydrophobicContact CG2-CB 3.7Å; I91-M224 HydrophobicContact CG2-SD 4Å
92R97.7Very high97.4Very high29 Ų2927.1 Ų27.111%0.10914%0.137CC..Hα-helixtrans-63.7-34.9173.7-75.1-177172.1162.1-0.8111.7M1 S89 H95 L96 F146M1-R92 HydrophobicContact SD-CB 3.45Å; M1-R92 WeakPolarHBondContact SD-CB 3.31Å; M1-R92 VanDerWaalsContact SD-CD 3.5Å; M1-R92 HydrophobicContact SD-CG 4.12Å; S89-R92 PolarHBondContact O-N 3.06Å; R92-H95 WeakPolarHBondContact O-CB 3.38Å; R92-H95 PolarHBondContact O-N 3.35Å; R92-L96 WeakPolarHBondContact O-CB 3.48Å; R92-L96 VanDerWaalsContact O-CG 3.28Å; R92-L96 WeakPolarHBondContact O-CG 3.42Å; R92-L96 PolarHBondContact O-N 2.86Å; R92-F146 HydrophobicContact CB-CD1 4.39Å; R92-F146 HydrophobicContact CB-CE1 3.77Å; R92-F146 HydrophobicContact CB-CZ 3.86Å; R92-F146 HydrophobicContact CG-CD1 4Å; R92-F146 HydrophobicContact CG-CD2 4.47Å; R92-F146 HydrophobicContact CG-CE1 3.88Å; R92-F146 HydrophobicContact CG-CE2 4.36Å; R92-F146 HydrophobicContact CG-CG 4.3Å; R92-F146 HydrophobicContact CG-CZ 4.07Å
93I97.6Very high97.5Very high6 Ų624.7 Ų24.73%0.03113%0.128CC..Hα-helixtrans-64.9-45.1173-68.3160.6000110.5M1 V4 L8 F47 S89 P90 I91 H95 L96 L97M1-I93 HydrophobicContact CB-CG1 4.24Å; M1-I93 HydrophobicContact CG-CG1 4.22Å; V4-I93 HydrophobicContact CB-CD1 4Å; V4-I93 HydrophobicContact CB-CG1 4.39Å; V4-I93 HydrophobicContact CG1-CD1 3.68Å; V4-I93 HydrophobicContact CG1-CG1 4.27Å; V4-I93 HydrophobicContact CG1-CG2 4.09Å; V4-I93 HydrophobicContact CG2-CD1 4.48Å; L8-I93 HydrophobicContact CD1-CG2 3.82Å; F47-I93 HydrophobicContact CD2-CD1 3.84Å; F47-I93 HydrophobicContact CE2-CD1 3.63Å; S89-I93 WeakPolarHBondContact O-CG1 3.36Å; S89-I93 PolarHBondContact O-N 2.65Å; P90-I93 CarbonylContact O-C 3.52Å; P90-I93 WeakPolarHBondContact O-CB 3.39Å; P90-I93 PolarHBondContact O-N 3.13Å; I91-I93 VanDerWaalsContact C-N 3.27Å; I91-I93 PolarHBondContact O-N 2.77Å; I93-H95 VanDerWaalsContact C-N 3.34Å; I93-H95 PolarHBondContact O-N 2.81Å; I93-L96 PolarHBondContact O-N 2.94Å; I93-L97 HydrophobicContact CG2-CD1 4.17Å; I93-L97 HydrophobicContact CG2-CG 4.47Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.38Å; I93-L97 PolarHBondContact O-N 3.02Å
94M98Very high97.7Very high3 Ų321 Ų212%0.01511%0.108CC..Hα-helixtrans-59.8-43174.6-67.3177.7177.300111.8G19 V21 V70 M72 P90 I91 L96 L97 G98 A99G19-M94 VanDerWaalsContact CA-SD 3.54Å; V21-M94 HydrophobicContact CG2-CE 4.06Å; V21-M94 HydrophobicContact CG2-SD 4.47Å; V70-M94 HydrophobicContact CG1-CB 4.31Å; V70-M94 HydrophobicContact CG1-CE 4.18Å; V70-M94 HydrophobicContact CG1-CG 3.68Å; V70-M94 HydrophobicContact CG1-SD 4.13Å; M72-M94 HydrophobicContact CB-CE 4.31Å; M72-M94 HydrophobicContact CG-CE 3.52Å; M72-M94 HydrophobicContact SD-CE 3.56Å; M72-M94 VanDerWaalsContact SD-CE 3.56Å; P90-M94 VanDerWaalsContact O-CG 3.31Å; P90-M94 WeakPolarHBondContact O-CG 3.35Å; P90-M94 PolarHBondContact O-N 3.05Å; I91-M94 HydrophobicContact CD1-SD 4.36Å; I91-M94 WeakPolarHBondContact O-CB 3.36Å; I91-M94 PolarHBondContact O-N 2.79Å; M94-L96 PolarHBondContact O-N 3.24Å; M94-L97 WeakPolarHBondContact O-CB 3.44Å; M94-L97 PolarHBondContact O-N 3.2Å; M94-L97 VanDerWaalsContact O-N 3.16Å; M94-G98 PolarHBondContact O-N 2.96Å; M94-G98 VanDerWaalsContact O-N 3.16Å; M94-A99 HydrophobicContact CB-CB 4.16Å; M94-A99 WeakPolarHBondContact O-CB 3.35Å; M94-A99 PolarHBondContact O-N 2.96Å
95H98.2Very high97.7Very high33 Ų3320.1 Ų20.115%0.15310%0.103CC..Hα-helixtrans-56.9-49173.6177.889.8000111.7I91 R92 I93 L97 G98 R100 S222 M224I91-H95 PolarHBondContact O-N 2.82Å; R92-H95 WeakPolarHBondContact O-CB 3.38Å; R92-H95 PolarHBondContact O-N 3.35Å; I93-H95 VanDerWaalsContact C-N 3.34Å; I93-H95 PolarHBondContact O-N 2.81Å; H95-L97 VanDerWaalsContact C-N 3.28Å; H95-L97 PolarHBondContact O-N 2.87Å; H95-G98 PolarHBondContact O-N 3.3Å; H95-R100 PolarHBondContact O-NH1 2.93Å; H95-S222 PolarHBondContact CE1-O 3.12Å; H95-S222 PolarHBondContact ND1-O 3.31Å; H95-M224 HydrophobicContact CB-CG 4.48Å; H95-M224 HydrophobicContact CB-SD 3.75Å
96L97.2Very high97.8Very high42 Ų4218.5 Ų18.522%0.229%0.089CC..Hα-helixtrans-64.8-29.2177-71.6174.1000112.7M1 V2 R9 R92 I93 M94 G98 F146M1-L96 HydrophobicContact CB-CD1 4.23Å; V2-L96 HydrophobicContact CG2-CD1 4.41Å; R9-L96 PolarHBondContact NH2-O 3.25Å; R92-L96 WeakPolarHBondContact O-CB 3.48Å; R92-L96 VanDerWaalsContact O-CG 3.28Å; R92-L96 WeakPolarHBondContact O-CG 3.42Å; R92-L96 PolarHBondContact O-N 2.86Å; I93-L96 PolarHBondContact O-N 2.94Å; M94-L96 PolarHBondContact O-N 3.24Å; L96-G98 VanDerWaalsContact C-N 3.25Å; L96-F146 HydrophobicContact CD1-CE1 4.43Å; L96-F146 HydrophobicContact CD1-CZ 4.05Å; L96-F146 HydrophobicContact CD2-CE1 4.17Å; L96-F146 HydrophobicContact CD2-CZ 4.29Å; L96-F146 HydrophobicContact CG-CE1 4Å; L96-F146 HydrophobicContact CG-CZ 4.11Å
97L97.3Very high97.8Very high2 Ų215.7 Ų15.71%0.018%0.079CC..Hα-helixtrans-70.9-22.5173.1-72.4171.3000112.5S5 L8 R9 M12 A15 P16 I93 M94 H95S5-L97 VanDerWaalsContact O-CD2 3.31Å; S5-L97 WeakPolarHBondContact O-CD2 3.5Å; L8-L97 HydrophobicContact CB-CD1 4.28Å; L8-L97 HydrophobicContact CB-CD2 4.05Å; L8-L97 HydrophobicContact CD1-CD1 4.15Å; R9-L97 HydrophobicContact CB-CD2 3.9Å; M12-L97 HydrophobicContact CE-CD1 3.92Å; M12-L97 HydrophobicContact SD-CD1 4.26Å; M12-L97 HydrophobicContact SD-CD2 4.11Å; A15-L97 WeakPolarHBondContact CB-O 3.11Å; P16-L97 HydrophobicContact CG-CB 3.86Å; I93-L97 HydrophobicContact CG2-CD1 4.17Å; I93-L97 HydrophobicContact CG2-CG 4.47Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.38Å; I93-L97 PolarHBondContact O-N 3.02Å; M94-L97 WeakPolarHBondContact O-CB 3.44Å; M94-L97 PolarHBondContact O-N 3.2Å; M94-L97 VanDerWaalsContact O-N 3.16Å; H95-L97 VanDerWaalsContact C-N 3.28Å; H95-L97 PolarHBondContact O-N 2.87Å
98G97.4Very high97.8Very high18 Ų1815.8 Ų15.819%0.1868%0.08CC..THydrogen-bonded Turntrans124.2-4.3176.800000114.4P16 M94 H95 L96 R100P16-G98 CarbonylContact O-C 3.5Å; M94-G98 PolarHBondContact O-N 2.96Å; M94-G98 VanDerWaalsContact O-N 3.16Å; H95-G98 PolarHBondContact O-N 3.3Å; L96-G98 VanDerWaalsContact C-N 3.25Å; G98-R100 PolarHBondContact O-N 3.47Å; G98-R100 PolarHBondContact O-NH1 3.38Å
99A98.3Very high97.7Very high0 Ų016 Ų160%08%0.082CC..  trans-60.8138.7178.600000110.2P16 M94 M224P16-A99 VanDerWaalsContact O-CA 3.28Å; P16-A99 WeakPolarHBondContact O-CA 3.47Å; P16-A99 PolarHBondContact O-N 3.28Å; P16-A99 VanDerWaalsContact O-N 3.1Å; M94-A99 HydrophobicContact CB-CB 4.16Å; M94-A99 WeakPolarHBondContact O-CB 3.35Å; M94-A99 PolarHBondContact O-N 2.96Å; A99-M224 HydrophobicContact CB-CE 3.93Å
100R98.1Very high97.6Very high136 Ų13615 Ų1551%0.5138%0.076SC..  trans-119.5-13.7177-63.7-63.6176.8-99.24.7112.7L17 H95 G98 M224 K225L17-R100 PolarHBondContact O-N 3.49Å; L17-R100 VanDerWaalsContact O-N 3.08Å; H95-R100 PolarHBondContact O-NH1 2.93Å; G98-R100 PolarHBondContact O-N 3.47Å; G98-R100 PolarHBondContact O-NH1 3.38Å; R100-M224 CarbonylContact O-C 3.5Å; R100-M224 WeakPolarHBondContact O-CA 3.22Å; R100-K225 PolarHBondContact O-N 2.91Å
101T98.8Very high97.6Very high13 Ų1315.1 Ų15.18%0.088%0.076CC..EExtended strand (participates in β ladder)trans-120.7139170.8-60.50000108.9L17 V18 G19 L161 K225 L271L17-T101 PolarHBondContact O-N 3.45Å; V18-T101 WeakPolarHBondContact CA-O 3.25Å; G19-T101 PolarHBondContact N-O 3.03Å; T101-L161 HydrophobicContact CG2-CD1 3.67Å; T101-L161 HydrophobicContact CG2-CD2 4.45Å; T101-K225 CarbonylContact C-O 3.18Å; T101-K225 WeakPolarHBondContact CA-O 3.23Å; T101-L271 HydrophobicContact CG2-CD1 3.89Å
102V98.8Very high97.5Very high0 Ų016.6 Ų16.60%08%0.084CC..EExtended strand (participates in β ladder)trans-118.1138.3165.970.60000110G19 I91 L104 A219 M224 K225 V226 L227G19-V102 CarbonylContact O-C 3.56Å; G19-V102 WeakPolarHBondContact O-CA 3.36Å; I91-V102 HydrophobicContact CD1-CG2 4.06Å; V102-L104 HydrophobicContact CG1-CG 4.34Å; V102-L104 HydrophobicContact CG2-CD2 3.6Å; V102-L104 HydrophobicContact CG2-CG 4.14Å; V102-A219 HydrophobicContact CG1-CB 3.61Å; V102-M224 HydrophobicContact CB-CE 4.01Å; V102-K225 PolarHBondContact N-O 3.38Å; V102-V226 HydrophobicContact CG1-CB 4.3Å; V102-V226 HydrophobicContact CG1-CG1 4.05Å; V102-V226 HydrophobicContact CG1-CG2 4.08Å; V102-L227 PolarHBondContact O-N 2.98Å
103I98.7Very high97.2Very high2 Ų218.4 Ų18.41%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-111.9117.7171-57.1178.4000106.9V18 G19 L20 V21 T105 L227 L264 V267V18-I103 HydrophobicContact CG1-CD1 3.86Å; V18-I103 HydrophobicContact CG1-CG1 3.94Å; G19-I103 PolarHBondContact O-N 3.31Å; L20-I103 CarbonylContact C-O 3.57Å; L20-I103 WeakPolarHBondContact CA-O 3.28Å; L20-I103 HydrophobicContact CD1-CB 3.84Å; L20-I103 HydrophobicContact CD1-CG2 3.68Å; V21-I103 PolarHBondContact N-O 3.38Å; I103-T105 HydrophobicContact CG2-CG2 4.31Å; I103-L227 CarbonylContact C-O 3.56Å; I103-L227 VanDerWaalsContact CA-O 3.27Å; I103-L227 WeakPolarHBondContact CA-O 3.38Å; I103-L227 HydrophobicContact CD1-CD2 4.49Å; I103-L227 HydrophobicContact CG1-CB 4.37Å; I103-L227 HydrophobicContact CG1-CD2 4.3Å; I103-L227 HydrophobicContact CG2-CD2 4.34Å; I103-L264 HydrophobicContact CG2-CD2 3.83Å; I103-V267 HydrophobicContact CD1-CG1 4.19Å
104L98.8Very high97.1Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-108.1129.7179.5-56.4175.1000108.9V21 I91 V102 V212 E215 S216 V226 L227 A228 V229V21-L104 HydrophobicContact CB-CD2 3.79Å; V21-L104 HydrophobicContact CG2-CD2 3.72Å; I91-L104 HydrophobicContact CD1-CD2 4.1Å; V102-L104 HydrophobicContact CG1-CG 4.34Å; V102-L104 HydrophobicContact CG2-CD2 3.6Å; V102-L104 HydrophobicContact CG2-CG 4.14Å; L104-V212 HydrophobicContact CB-CG1 4.34Å; L104-V212 HydrophobicContact CD1-CG1 4.09Å; L104-E215 HydrophobicContact CD1-CB 3.8Å; L104-E215 HydrophobicContact CD2-CB 3.87Å; L104-S216 VanDerWaalsContact CD1-OG 3.25Å; L104-S216 WeakPolarHBondContact CD1-OG 3.39Å; L104-V226 HydrophobicContact CD1-CG1 4.14Å; L104-L227 PolarHBondContact N-O 2.88Å; L104-A228 HydrophobicContact CB-CB 3.97Å; L104-A228 CarbonylContact O-C 3.54Å; L104-A228 VanDerWaalsContact O-CA 3.24Å; L104-A228 WeakPolarHBondContact O-CA 3.47Å; L104-V229 PolarHBondContact O-N 3.25Å
105T98.2Very high97Very high0 Ų024.6 Ų24.60%013%0.132CC..EExtended strand (participates in β ladder)trans-123.2135.7176.575.20000111.4L20 V21 C22 G23 L26 L29 R75 I103 V229 L260 L264L20-T105 HydrophobicContact CD1-CG2 4.06Å; V21-T105 PolarHBondContact O-N 3.38Å; V21-T105 PolarHBondContact O-OG1 3.2Å; C22-T105 WeakPolarHBondContact CA-OG1 3.23Å; G23-T105 VanDerWaalsContact CA-O 3.26Å; G23-T105 WeakPolarHBondContact CA-O 3.29Å; G23-T105 PolarHBondContact N-O 2.95Å; L26-T105 WeakPolarHBondContact CD1-OG1 3.35Å; L29-T105 HydrophobicContact CD1-CG2 4.07Å; R75-T105 PolarHBondContact NH2-O 3.11Å; I103-T105 HydrophobicContact CG2-CG2 4.31Å; T105-V229 CarbonylContact C-O 3.52Å; T105-V229 VanDerWaalsContact CA-O 3.25Å; T105-V229 WeakPolarHBondContact CA-O 3.29Å; T105-L260 HydrophobicContact CG2-CD2 4.11Å; T105-L264 HydrophobicContact CG2-CD1 4.26Å
106A97.2Very high96.8Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-141.4161-178.500000111.9V212 V229 A230 A231A106-V212 HydrophobicContact CB-CG2 3.34Å; A106-V229 PolarHBondContact N-O 2.91Å; A106-A230 CarbonylContact O-C 3.52Å; A106-A230 VanDerWaalsContact O-CA 3.32Å; A106-A230 WeakPolarHBondContact O-CA 3.21Å; A106-A231 PolarHBondContact O-N 2.87Å
107A96.1Very high96.7Very high18 Ų1832.4 Ų32.415%0.14917%0.167CC..EExtended strand (participates in β ladder)trans-85.1149161.100000109.9A231 T233 V249A107-A231 WeakPolarHBondContact CA-O 3.41Å; A107-T233 HydrophobicContact CB-CG2 3.69Å; A107-V249 HydrophobicContact CB-CG1 3.45Å; A107-V249 VanDerWaalsContact CB-CG1 3.45Å
108A96.7Very high96.7Very high3 Ų332.7 Ų32.73%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-152.2147.5179.800000112.2Y183 A207 V208 A230 A231 I232 T233A108-Y183 HydrophobicContact CB-CD2 4.45Å; A108-Y183 HydrophobicContact CB-CE2 3.8Å; A108-A207 HydrophobicContact CB-CB 4.01Å; A108-V208 CarbonylContact C-O 3.53Å; A108-V208 VanDerWaalsContact CA-O 3.3Å; A108-V208 WeakPolarHBondContact CA-O 3.45Å; A108-V208 WeakPolarHBondContact CB-O 3.13Å; A108-A230 HydrophobicContact CB-CB 3.8Å; A108-A231 PolarHBondContact N-O 3.32Å; A108-I232 HydrophobicContact CB-CD1 4.47Å; A108-I232 WeakPolarHBondContact O-CA 3.47Å; A108-T233 PolarHBondContact O-N 3.47Å; A108-T233 PolarHBondContact O-OG1 2.94Å
109G95.7Very high96.7Very high5 Ų532.1 Ų32.15%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-85.2130.4167.900000110.5A207 V208 D234G109-A207 CarbonylContact O-C 3.35Å; G109-A207 VanDerWaalsContact O-CA 3.23Å; G109-A207 WeakPolarHBondContact O-CA 3.33Å; G109-V208 PolarHBondContact N-O 3.15Å; G109-V208 PolarHBondContact O-N 3.05Å; G109-D234 WeakPolarHBondContact CA-O 3.33Å; G109-D234 WeakPolarHBondContact CA-OD1 3.45Å; G109-D234 PolarHBondContact N-OD1 2.96Å
110A96.3Very high96.7Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-72127.7175.400000111.1Y115 I232 D234 V235 L236A110-Y115 HydrophobicContact CB-CD2 4.48Å; A110-I232 HydrophobicContact CB-CD1 4.37Å; A110-I232 HydrophobicContact CB-CG2 3.59Å; A110-D234 PolarHBondContact N-O 2.81Å; A110-V235 HydrophobicContact CB-CG2 4.23Å; A110-L236 PolarHBondContact O-N 2.9Å
111L95.8Very high96.8Very high6 Ų625.7 Ų25.73%0.03114%0.139CC..  trans-96.7-30.5168.2-62.4172.2000110.8L200 R201 A205 D206 V208 L236L111-L200 HydrophobicContact CD1-CB 3.58Å; L111-L200 HydrophobicContact CD1-CD1 4.46Å; L111-R201 HydrophobicContact CB-CB 4.24Å; L111-R201 WeakPolarHBondContact O-CD 3.45Å; L111-A205 HydrophobicContact CD1-CB 3.74Å; L111-D206 PolarHBondContact N-O 3.5Å; L111-V208 HydrophobicContact CD1-CB 4.09Å; L111-V208 HydrophobicContact CD1-CG1 4.35Å; L111-V208 HydrophobicContact CD2-CG1 4.12Å; L111-V208 HydrophobicContact CG-CB 4.41Å; L111-V208 HydrophobicContact CG-CG1 4.16Å; L111-L236 HydrophobicContact CD2-CB 4.2Å; L111-L236 HydrophobicContact CD2-CD1 3.99Å
112N95.9Very high96.7Very high32 Ų3225 Ų2517%0.17114%0.135CC..SBendtrans-74.7119.2173.6-169.9-33.8000110D114 Y115 D206N112-D114 PolarHBondContact O-N 3.33Å; N112-D114 WeakPolarHBondContact OD1-CB 3.48Å; N112-D114 PolarHBondContact OD1-N 3.38Å; N112-D114 VanDerWaalsContact OD1-N 3.08Å; N112-Y115 HydrophobicContact CB-CD1 4.06Å; N112-Y115 HydrophobicContact CB-CD2 3.96Å; N112-Y115 HydrophobicContact CB-CE1 4.05Å; N112-Y115 HydrophobicContact CB-CE2 3.97Å; N112-Y115 HydrophobicContact CB-CG 4Å; N112-Y115 PolarHBondContact O-N 2.97Å; N112-Y115 VanDerWaalsContact O-N 3.14Å; N112-D206 HydrophobicContact CB-CB 4.06Å; N112-D206 PolarHBondContact N-O 3.06Å; N112-D206 PolarHBondContact ND2-OD1 3.07Å
113P92.8Very high96.8Very high68 Ų6825 Ų2544%0.44214%0.135SC..THydrogen-bonded Turntrans-69-14.5-174.730.6-38000113.8Y115P113-Y115 VanDerWaalsContact C-N 3.26Å
114D94.5Very high96.7Very high123 Ų12327.4 Ų27.466%0.65815%0.15SC*.THydrogen-bonded Turntrans-79.6-13.5177-64.2-24.9000112.1N112N112-D114 PolarHBondContact O-N 3.33Å; N112-D114 WeakPolarHBondContact OD1-CB 3.48Å; N112-D114 PolarHBondContact OD1-N 3.38Å; N112-D114 VanDerWaalsContact OD1-N 3.08Å
115Y96Very high96.7Very high16 Ų1631.4 Ų31.46%0.06317%0.171CC..  trans-87.2144179.9-63.73.8000110.7A110 N112 P113 M121 R179 E180 D206 I232A110-Y115 HydrophobicContact CB-CD2 4.48Å; N112-Y115 HydrophobicContact CB-CD1 4.06Å; N112-Y115 HydrophobicContact CB-CD2 3.96Å; N112-Y115 HydrophobicContact CB-CE1 4.05Å; N112-Y115 HydrophobicContact CB-CE2 3.97Å; N112-Y115 HydrophobicContact CB-CG 4Å; N112-Y115 PolarHBondContact O-N 2.97Å; N112-Y115 VanDerWaalsContact O-N 3.14Å; P113-Y115 VanDerWaalsContact C-N 3.26Å; Y115-M121 HydrophobicContact CD2-SD 4.37Å; Y115-M121 HydrophobicContact CE2-CG 3.99Å; Y115-M121 HydrophobicContact CE2-SD 3.56Å; Y115-M121 VanDerWaalsContact CE2-SD 3.56Å; Y115-R179 HydrophobicContact CD1-CB 4.11Å; Y115-R179 HydrophobicContact CD1-CG 3.6Å; Y115-R179 HydrophobicContact CD2-CB 4.4Å; Y115-R179 HydrophobicContact CD2-CG 4.3Å; Y115-R179 HydrophobicContact CE1-CB 3.72Å; Y115-R179 HydrophobicContact CE1-CG 3.71Å; Y115-R179 HydrophobicContact CE2-CB 3.99Å; Y115-R179 HydrophobicContact CE2-CG 4.35Å; Y115-R179 HydrophobicContact CG-CB 4.46Å; Y115-R179 HydrophobicContact CG-CG 3.94Å; Y115-E180 PolarHBondContact OH-O 3.36Å; Y115-D206 HydrophobicContact CE2-CB 3.67Å; Y115-I232 HydrophobicContact CD2-CD1 4.25Å; Y115-I232 HydrophobicContact CD2-CG1 4.45Å
116K95.4Very high96.7Very high140 Ų14033 Ų3361%0.60918%0.179SC*.  trans-118.6152.7-175.4-60.3176.9-174.4176.50110.6G118 D119 I232K116-G118 PolarHBondContact O-N 2.74Å; K116-D119 PolarHBondContact N-OD2 2.97Å; K116-D119 VanDerWaalsContact O-CB 3.25Å; K116-D119 WeakPolarHBondContact O-CB 3.39Å; K116-D119 PolarHBondContact O-N 2.97Å; K116-I232 WeakPolarHBondContact O-CB 3.33Å; K116-I232 WeakPolarHBondContact O-CG2 3.43Å
117I95.1Very high96.6Very high98 Ų9835 Ų3550%0.50319%0.187SC..THydrogen-bonded Turntrans-53.3127.7168.5-61.4-178.9000108.5I232 V235 V252I117-I232 WeakPolarHBondContact CA-O 3.45Å; I117-V235 HydrophobicContact CG1-CG2 4Å; I117-V252 HydrophobicContact CG2-CB 4.43Å; I117-V252 HydrophobicContact CG2-CG1 3.69Å; I117-V252 HydrophobicContact CG2-CG2 3.85Å
118G96Very high96.6Very high9 Ų934.8 Ų34.89%0.09319%0.185CC..THydrogen-bonded Turntrans93.8-7-175.800000115K116 R177 I232K116-G118 PolarHBondContact O-N 2.74Å; G118-R177 VanDerWaalsContact O-CZ 3.3Å; G118-R177 PolarHBondContact O-NE 3.24Å; G118-R177 VanDerWaalsContact O-NE 3.07Å; G118-R177 PolarHBondContact O-NH2 3.44Å; G118-I232 PolarHBondContact N-O 3.13Å
119D98.2Very high96.6Very high6 Ų638 Ų383%0.03220%0.201CC..  trans-66.3153170.1-76.7-13.2000110.9K116 R177 R179 I232K116-D119 PolarHBondContact N-OD2 2.97Å; K116-D119 VanDerWaalsContact O-CB 3.25Å; K116-D119 WeakPolarHBondContact O-CB 3.39Å; K116-D119 PolarHBondContact O-N 2.97Å; D119-R177 WeakPolarHBondContact CA-O 3.39Å; D119-R179 HydrophobicContact CB-CG 4.03Å; D119-R179 IonicContact OD1-NH2 3.37Å; D119-R179 PolarHBondContact OD1-NH2 3.05Å; D119-R179 IonicContact OD2-CZ 3.34Å; D119-R179 IonicContact OD2-NE 2.65Å; D119-R179 PolarHBondContact OD2-NE 3.16Å; D119-R179 IonicContact OD2-NH2 3Å; D119-R179 PolarHBondContact OD2-NH2 3.18Å; D119-I232 HydrophobicContact CB-CB 4.26Å; D119-I232 HydrophobicContact CB-CG1 4Å; D119-I232 PolarHBondContact O-N 3.19Å
120M98.4Very high96.6Very high0 Ų038.7 Ų38.70%020%0.204CC..EExtended strand (participates in β ladder)trans-112.8103.1175.3-67.3173.9-74.100108.6Q174 R177 V178 R179 V229 V256 L260 I263M120-Q174 HydrophobicContact CE-CB 4Å; M120-Q174 HydrophobicContact CE-CG 4.43Å; M120-R177 HydrophobicContact CE-CB 4.32Å; M120-R177 PolarHBondContact N-O 3.18Å; M120-V178 WeakPolarHBondContact O-CA 3.25Å; M120-R179 PolarHBondContact O-N 2.95Å; M120-V229 HydrophobicContact CB-CG1 4.23Å; M120-V256 HydrophobicContact CG-CG1 3.59Å; M120-V256 HydrophobicContact SD-CG1 4.23Å; M120-L260 HydrophobicContact SD-CB 3.76Å; M120-L260 HydrophobicContact SD-CD1 3.8Å; M120-L260 HydrophobicContact SD-CG 4.34Å; M120-I263 HydrophobicContact CE-CD1 3.63Å; M120-I263 HydrophobicContact SD-CD1 3.87Å
121M98.7Very high96.5Very high0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-89112.6177.8-173-170.186.300110.2Y115 I123 R179 Y183 D206 A207 V229 A230 I232Y115-M121 HydrophobicContact CD2-SD 4.37Å; Y115-M121 HydrophobicContact CE2-CG 3.99Å; Y115-M121 HydrophobicContact CE2-SD 3.56Å; Y115-M121 VanDerWaalsContact CE2-SD 3.56Å; M121-I123 HydrophobicContact CE-CG1 3.84Å; M121-R179 CarbonylContact C-O 3.49Å; M121-R179 WeakPolarHBondContact CA-O 3.49Å; M121-R179 HydrophobicContact CB-CB 4.11Å; M121-R179 HydrophobicContact CG-CB 4.11Å; M121-Y183 HydrophobicContact CE-CD2 4.19Å; M121-D206 HydrophobicContact SD-CB 4.06Å; M121-A207 HydrophobicContact CE-CB 3.77Å; M121-A207 HydrophobicContact SD-CB 3.75Å; M121-V229 CarbonylContact O-C 3.59Å; M121-V229 WeakPolarHBondContact O-CA 3.34Å; M121-A230 HydrophobicContact CB-CB 4.42Å; M121-A230 HydrophobicContact CE-CB 4.24Å; M121-A230 PolarHBondContact N-O 3.17Å; M121-A230 PolarHBondContact O-N 2.92Å; M121-I232 HydrophobicContact CB-CD1 4.2Å
122V98.7Very high96.5Very high0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-73.8127.8164.966.10000108.9I162 F165 R179 E180 G181 L227V122-I162 HydrophobicContact CG1-CG2 3.97Å; V122-I162 HydrophobicContact CG2-CB 4.46Å; V122-I162 HydrophobicContact CG2-CG1 3.91Å; V122-I162 HydrophobicContact CG2-CG2 4.24Å; V122-F165 HydrophobicContact CB-CD1 3.97Å; V122-F165 HydrophobicContact CB-CE1 4.1Å; V122-F165 HydrophobicContact CG1-CD1 4.35Å; V122-F165 HydrophobicContact CG2-CD1 4.3Å; V122-R179 WeakPolarHBondContact CG1-O 3.38Å; V122-R179 PolarHBondContact N-O 3.47Å; V122-E180 HydrophobicContact CG1-CB 4.43Å; V122-E180 HydrophobicContact CG1-CG 3.59Å; V122-E180 WeakPolarHBondContact O-CA 3.28Å; V122-G181 PolarHBondContact O-N 2.84Å; V122-L227 HydrophobicContact CG2-CD1 3.69Å
123I98.8Very high96.4Very high0 Ų048.1 Ų48.10%027%0.273CS..EExtended strand (participates in β ladder)trans-79.8123.1-175.6-56.2177.3000108.5M121 D125 Y157 Y183 V212 A228 A230M121-I123 HydrophobicContact CE-CG1 3.84Å; I123-D125 WeakPolarHBondContact CG2-O 3.3Å; I123-Y157 HydrophobicContact CB-CD1 4.27Å; I123-Y157 HydrophobicContact CB-CE1 4.08Å; I123-Y157 HydrophobicContact CG2-CD1 4.19Å; I123-Y157 HydrophobicContact CG2-CD2 4.06Å; I123-Y157 HydrophobicContact CG2-CE1 3.75Å; I123-Y157 HydrophobicContact CG2-CE2 3.61Å; I123-Y157 HydrophobicContact CG2-CG 4.33Å; I123-Y157 VanDerWaalsContact CG2-CZ 3.43Å; I123-Y157 WeakPolarHBondContact O-CB 3.12Å; I123-Y183 HydrophobicContact CD1-CD1 4.44Å; I123-Y183 HydrophobicContact CD1-CD2 3.77Å; I123-Y183 HydrophobicContact CD1-CE2 4.47Å; I123-Y183 HydrophobicContact CD1-CG 3.74Å; I123-Y183 HydrophobicContact CG1-CD2 4.42Å; I123-Y183 HydrophobicContact CG1-CG 4.44Å; I123-V212 HydrophobicContact CD1-CG1 3.93Å; I123-A228 HydrophobicContact CB-CB 4.15Å; I123-A228 HydrophobicContact CD1-CB 3.82Å; I123-A228 HydrophobicContact CG1-CB 4.24Å; I123-A228 PolarHBondContact N-O 2.91Å; I123-A230 HydrophobicContact CD1-CB 4.48Å
124T98.6Very high96.4Very high52 Ų5247.6 Ų47.632%0.31928%0.28SS..EExtended strand (participates in β ladder)trans-101.9-28.2-179.359.10000112.5Y157 I162 E180 G181T124-Y157 WeakPolarHBondContact O-CD2 3.35Å; T124-I162 HydrophobicContact CG2-CD1 4.29Å; T124-E180 HydrophobicContact CG2-CB 3.85Å; T124-E180 HydrophobicContact CG2-CG 4.26Å; T124-G181 PolarHBondContact N-O 2.63Å; T124-G181 PolarHBondContact OG1-O 2.83Å
125D98.5Very high96.5Very high84 Ų8446 Ų4645%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-153.5172.1171.7-153.6-3.7000110.3I123 Y157 V182 Y183I123-D125 WeakPolarHBondContact CG2-O 3.3Å; D125-Y157 VanDerWaalsContact C-CE2 3.49Å; D125-V182 HydrophobicContact CB-CG1 4.43Å; D125-V182 HydrophobicContact CB-CG2 4.15Å; D125-V182 WeakPolarHBondContact O-CA 3.26Å; D125-Y183 PolarHBondContact O-N 3.2Å
126H98.2Very high96.5Very high34 Ų3447 Ų4716%0.15728%0.28CS..EExtended strand (participates in β ladder)trans-134.9156.3175.266-113000113.9Y157 Y183 V213H126-Y157 HydrophobicContact CB-CE2 4.02Å; H126-Y157 WeakPolarHBondContact CB-OH 3.37Å; H126-Y157 AromaticContact ND1-CE2 3.38Å; H126-Y157 WeakPolarHBondContact ND1-CE2 3.48Å; H126-Y157 AromaticContact ND1-CZ 3.51Å; H126-Y157 PolarHBondContact ND1-OH 3.44Å; H126-Y183 CarbonylContact C-O 3.6Å; H126-Y183 WeakPolarHBondContact CA-O 3.21Å; H126-Y183 VanDerWaalsContact CB-O 3.29Å; H126-Y183 WeakPolarHBondContact CB-O 3.38Å; H126-V213 HydrophobicContact CB-CG2 3.83Å
127F94.5Very high96.6Very high41 Ų4140.4 Ų40.418%0.1825%0.252CS..EExtended strand (participates in β ladder)trans-119.9105.4170.1-179.4-95.7000109.1L129 L132 Y183 A184 M185 F199 L200 V203F127-L129 HydrophobicContact CE1-CB 4.12Å; F127-L129 HydrophobicContact CE1-CD1 3.94Å; F127-L129 HydrophobicContact CZ-CD1 4.23Å; F127-L132 HydrophobicContact CD2-CD1 4.09Å; F127-L132 HydrophobicContact CE1-CD1 4.33Å; F127-L132 HydrophobicContact CE2-CD1 3.32Å; F127-L132 HydrophobicContact CZ-CD1 3.46Å; F127-L132 VanDerWaalsContact CZ-CD1 3.46Å; F127-Y183 PolarHBondContact N-O 3.23Å; F127-A184 HydrophobicContact CD1-CB 4.41Å; F127-A184 CarbonylContact O-C 3.52Å; F127-A184 VanDerWaalsContact O-CA 3.28Å; F127-A184 WeakPolarHBondContact O-CA 3.14Å; F127-M185 PolarHBondContact O-N 2.8Å; F127-F199 HydrophobicContact CE1-CE1 4.43Å; F127-F199 HydrophobicContact CZ-CE1 4.49Å; F127-L200 HydrophobicContact CD1-CD2 4.03Å; F127-L200 HydrophobicContact CE1-CD2 3.96Å; F127-V203 HydrophobicContact CD1-CG2 4.3Å; F127-V203 HydrophobicContact CD2-CG2 4.3Å; F127-V203 HydrophobicContact CE1-CG2 4.1Å; F127-V203 HydrophobicContact CE2-CG2 4.1Å; F127-V203 HydrophobicContact CG-CG2 4.39Å; F127-V203 HydrophobicContact CZ-CG2 4Å
128C96.7Very high96.7Very high14 Ų1437.5 Ų37.510%0.09524%0.237CC..EExtended strand (participates in β ladder)trans-95.895.8-177.5-164.30000111G131 L132 V213 W214C128-G131 WeakPolarHBondContact O-CA 3.45Å; C128-G131 PolarHBondContact O-N 2.78Å; C128-G131 VanDerWaalsContact O-N 3.07Å; C128-G131 PolarHBondContact SG-N 3.16Å; C128-G131 VanDerWaalsContact SG-N 3.39Å; C128-L132 WeakPolarHBondContact O-CG 3.42Å; C128-L132 PolarHBondContact O-N 3.08Å; C128-V213 HydrophobicContact CB-CG1 3.73Å; C128-W214 WeakPolarHBondContact SG-CZ3 3.23Å
129L96Very high96.7Very high69 Ų6940.7 Ų40.736%0.36126%0.258SS..Hα-helixtrans-62.4-44.9-177.5-172.566.3000112.5F127 G131 L132 A133 M185 F199F127-L129 HydrophobicContact CE1-CB 4.12Å; F127-L129 HydrophobicContact CE1-CD1 3.94Å; F127-L129 HydrophobicContact CZ-CD1 4.23Å; L129-G131 VanDerWaalsContact C-N 3.27Å; L129-G131 PolarHBondContact O-N 2.85Å; L129-L132 PolarHBondContact O-N 3.14Å; L129-A133 PolarHBondContact O-N 3.35Å; L129-M185 PolarHBondContact N-O 3.19Å; L129-M185 VanDerWaalsContact N-O 3.12Å; L129-F199 HydrophobicContact CD1-CE1 4.29Å
130P95.6Very high96.5Very high20 Ų2042.4 Ų42.413%0.1328%0.277CS..Hα-helixtrans-62.3-34.9172-22.134.4000112.7A133 G134 I135 M185 W214P130-A133 CarbonylContact O-C 3.59Å; P130-A133 PolarHBondContact O-N 3.45Å; P130-A133 VanDerWaalsContact O-N 3.15Å; P130-G134 PolarHBondContact O-N 3.03Å; P130-I135 HydrophobicContact CB-CB 4.19Å; P130-I135 HydrophobicContact CB-CD1 4.31Å; P130-I135 WeakPolarHBondContact O-CB 3.28Å; P130-I135 PolarHBondContact O-N 3.22Å; P130-M185 VanDerWaalsContact CD-O 3.22Å; P130-M185 WeakPolarHBondContact CD-O 3.35Å; P130-M185 HydrophobicContact CG-CE 4.07Å; P130-W214 HydrophobicContact CB-CH2 3.8Å; P130-W214 HydrophobicContact CB-CZ2 3.97Å; P130-W214 HydrophobicContact CG-CZ2 4.49Å
131G94.9Very high96.3Very high30 Ų3048.7 Ų48.731%0.30932%0.317SS..Hα-helixtrans-57.5-47.6174.500000113.3C128 L129 A133 G134 I135C128-G131 WeakPolarHBondContact O-CA 3.45Å; C128-G131 PolarHBondContact O-N 2.78Å; C128-G131 VanDerWaalsContact O-N 3.07Å; C128-G131 PolarHBondContact SG-N 3.16Å; C128-G131 VanDerWaalsContact SG-N 3.39Å; L129-G131 VanDerWaalsContact C-N 3.27Å; L129-G131 PolarHBondContact O-N 2.85Å; G131-A133 PolarHBondContact O-N 3.43Å; G131-G134 PolarHBondContact O-N 2.8Å; G131-I135 VanDerWaalsContact CA-O 3.25Å; G131-I135 WeakPolarHBondContact CA-O 3.39Å
132L94.5Very high96.2Very high124 Ų12450.8 Ų50.865%0.64933%0.329SS*.Hα-helixtrans-66.3-26176.9-64.8178.2000112.8F127 C128 L129 G134F127-L132 HydrophobicContact CD2-CD1 4.09Å; F127-L132 HydrophobicContact CE1-CD1 4.33Å; F127-L132 HydrophobicContact CE2-CD1 3.32Å; F127-L132 HydrophobicContact CZ-CD1 3.46Å; F127-L132 VanDerWaalsContact CZ-CD1 3.46Å; C128-L132 WeakPolarHBondContact O-CG 3.42Å; C128-L132 PolarHBondContact O-N 3.08Å; L129-L132 PolarHBondContact O-N 3.14Å; L132-G134 VanDerWaalsContact C-N 3.26Å; L132-G134 PolarHBondContact O-N 3.06Å
133A94.6Very high96Very high82 Ų8252.5 Ų52.568%0.67834%0.338SS*.THydrogen-bonded Turntrans-82.83.6173.700000113.8L129 P130 G131L129-A133 PolarHBondContact O-N 3.35Å; P130-A133 CarbonylContact O-C 3.59Å; P130-A133 PolarHBondContact O-N 3.45Å; P130-A133 VanDerWaalsContact O-N 3.15Å; G131-A133 PolarHBondContact O-N 3.43Å
134G93Very high95.9Very high58 Ų5860.7 Ų60.760%0.59838%0.376SS*.THydrogen-bonded Turntrans92.97.4176.500000115.4P130 G131 L132P130-G134 PolarHBondContact O-N 3.03Å; G131-G134 PolarHBondContact O-N 2.8Å; L132-G134 VanDerWaalsContact C-N 3.26Å; L132-G134 PolarHBondContact O-N 3.06Å
135I95.4Very high95.6Very high88 Ų8865.7 Ų65.745%0.45139%0.389SS..  trans-90.5122.8175.1-59.9170.8000108.7P84 P130 G131 W214P84-I135 HydrophobicContact CG-CG2 3.49Å; P84-I135 VanDerWaalsContact CG-CG2 3.49Å; P130-I135 HydrophobicContact CB-CB 4.19Å; P130-I135 HydrophobicContact CB-CD1 4.31Å; P130-I135 WeakPolarHBondContact O-CB 3.28Å; P130-I135 PolarHBondContact O-N 3.22Å; G131-I135 VanDerWaalsContact CA-O 3.25Å; G131-I135 WeakPolarHBondContact CA-O 3.39Å; I135-W214 HydrophobicContact CG2-CH2 4.08Å; I135-W214 HydrophobicContact CG2-CZ2 4.09Å; I135-W214 VanDerWaalsContact O-CH2 3.31Å; I135-W214 WeakPolarHBondContact O-CH2 3.44Å
136S96.5Very high95.5Very high38 Ų3862.3 Ų62.327%0.26637%0.371SS..  trans-149145.6-174.3176.80000112.7L138 S139S136-L138 PolarHBondContact O-N 3.29Å; S136-L138 PolarHBondContact OG-N 2.8Å; S136-L138 VanDerWaalsContact OG-N 3.09Å; S136-S139 WeakPolarHBondContact O-CB 3.38Å; S136-S139 PolarHBondContact O-N 2.71Å; S136-S139 PolarHBondContact O-OG 3.48Å
137P97.3Very high95.5Very high2 Ų261.3 Ų61.31%0.01337%0.37CS..THydrogen-bonded Turntrans-70.1-7.1170.733-39.1000112.9P84 A88 W214 T217 V218P84-P137 HydrophobicContact CB-CB 4.01Å; P84-P137 WeakPolarHBondContact O-CB 3.43Å; A88-P137 HydrophobicContact CB-CB 3.93Å; P137-W214 HydrophobicContact CG-CB 4.49Å; P137-W214 HydrophobicContact CG-CE3 4.18Å; P137-T217 HydrophobicContact CG-CG2 3.97Å; P137-V218 HydrophobicContact CB-CG1 3.72Å; P137-V218 HydrophobicContact CG-CG1 3.86Å
138L97.3Very high95.6Very high36 Ų3663.1 Ų63.119%0.18839%0.385CS..THydrogen-bonded Turntrans-99.85.4176.6-53.2-176.7000112.7S136 P151 T217 V218 H221S136-L138 PolarHBondContact O-N 3.29Å; S136-L138 PolarHBondContact OG-N 2.8Å; S136-L138 VanDerWaalsContact OG-N 3.09Å; L138-P151 HydrophobicContact CD1-CG 3.63Å; L138-T217 HydrophobicContact CD1-CG2 3.87Å; L138-T217 HydrophobicContact CG-CG2 4.04Å; L138-V218 HydrophobicContact CD2-CG1 4.08Å; L138-H221 HydrophobicContact CD1-CB 4.42Å; L138-H221 HydrophobicContact CD2-CB 4.26Å
139S95.3Very high95.6Very high77 Ų7768.4 Ų68.454%0.53840%0.403SS..  trans-65.4149.8174.2-69.50000111.8S136S136-S139 WeakPolarHBondContact O-CB 3.38Å; S136-S139 PolarHBondContact O-N 2.71Å; S136-S139 PolarHBondContact O-OG 3.48Å
140G94.9Very high95.6Very high42 Ų4273.3 Ų73.343%0.43342%0.422SS..SBendtrans93.4-163.4-176.400000113.7R149G140-R149 PolarHBondContact O-NH1 2.9Å; G140-R149 PolarHBondContact O-NH2 3.19Å
141P95.1Very high95.7Very high131 Ų13173.9 Ų73.985%0.85143%0.426SS*.SBendtrans-62.2138.6175.6-23.334.9000112.2
142N96.6Very high95.8Very high44 Ų4477.3 Ų77.324%0.23544%0.44CS..  trans-77.9138.3176-174.961000110.5G147 R149N142-G147 PolarHBondContact ND2-O 3.43Å; N142-R149 HydrophobicContact CB-CB 4.37Å
143D94.4Very high95.9Very high36 Ų3673.9 Ų73.919%0.19342%0.422CS..  trans-102.799.3171.8-173.6-13.4000108.8R145 F146D143-R145 PolarHBondContact O-N 3.03Å; D143-R145 VanDerWaalsContact OD1-CB 3.31Å; D143-R145 WeakPolarHBondContact OD1-CB 3.29Å; D143-R145 WeakPolarHBondContact OD1-CG 3.15Å; D143-R145 IonicContact OD1-CZ 2.78Å; D143-R145 PolarHBondContact OD1-N 2.78Å; D143-R145 IonicContact OD1-NE 2.78Å; D143-R145 PolarHBondContact OD1-NE 2.89Å; D143-R145 IonicContact OD1-NH2 3.34Å; D143-R145 IonicContact OD2-CZ 3.11Å; D143-R145 IonicContact OD2-NE 3.26Å; D143-R145 PolarHBondContact OD2-NE 2.89Å; D143-R145 IonicContact OD2-NH2 2.63Å; D143-R145 PolarHBondContact OD2-NH2 2.94Å; D143-F146 HydrophobicContact CB-CD2 3.93Å; D143-F146 HydrophobicContact CB-CE2 4.42Å; D143-F146 PolarHBondContact O-N 2.83Å; D143-F146 VanDerWaalsContact OD2-CE2 3.26Å; D143-F146 WeakPolarHBondContact OD2-CE2 3.25Å
144E95.2Very high96Very high173 Ų17377.2 Ų77.281%0.80842%0.423SS*.THydrogen-bonded Turntrans-62.6-12.7-174.4-62.9-173.8167.100113.6F146E144-F146 PolarHBondContact O-N 3.41Å
145R93.9Very high96.2Very high157 Ų15777 Ų7759%0.59242%0.42SS*.THydrogen-bonded Turntrans-66.3-26.4173.7-60177.3-66-175.5-3.2112.8D143D143-R145 PolarHBondContact O-N 3.03Å; D143-R145 VanDerWaalsContact OD1-CB 3.31Å; D143-R145 WeakPolarHBondContact OD1-CB 3.29Å; D143-R145 WeakPolarHBondContact OD1-CG 3.15Å; D143-R145 IonicContact OD1-CZ 2.78Å; D143-R145 PolarHBondContact OD1-N 2.78Å; D143-R145 IonicContact OD1-NE 2.78Å; D143-R145 PolarHBondContact OD1-NE 2.89Å; D143-R145 IonicContact OD1-NH2 3.34Å; D143-R145 IonicContact OD2-CZ 3.11Å; D143-R145 IonicContact OD2-NE 3.26Å; D143-R145 PolarHBondContact OD2-NE 2.89Å; D143-R145 IonicContact OD2-NH2 2.63Å; D143-R145 PolarHBondContact OD2-NH2 2.94Å
146F96.7Very high96.3Very high13 Ų1372.8 Ų72.86%0.05740%0.399CS..THydrogen-bonded Turntrans-96.9-46.3-178.4-64.2-68.9000111.3M1 R92 L96 D143 E144 S222M1-F146 HydrophobicContact CE-CE2 3.8Å; M1-F146 HydrophobicContact CE-CZ 4.16Å; M1-F146 HydrophobicContact SD-CZ 4.45Å; R92-F146 HydrophobicContact CB-CD1 4.39Å; R92-F146 HydrophobicContact CB-CE1 3.77Å; R92-F146 HydrophobicContact CB-CZ 3.86Å; R92-F146 HydrophobicContact CG-CD1 4Å; R92-F146 HydrophobicContact CG-CD2 4.47Å; R92-F146 HydrophobicContact CG-CE1 3.88Å; R92-F146 HydrophobicContact CG-CE2 4.36Å; R92-F146 HydrophobicContact CG-CG 4.3Å; R92-F146 HydrophobicContact CG-CZ 4.07Å; L96-F146 HydrophobicContact CD1-CE1 4.43Å; L96-F146 HydrophobicContact CD1-CZ 4.05Å; L96-F146 HydrophobicContact CD2-CE1 4.17Å; L96-F146 HydrophobicContact CD2-CZ 4.29Å; L96-F146 HydrophobicContact CG-CE1 4Å; L96-F146 HydrophobicContact CG-CZ 4.11Å; D143-F146 HydrophobicContact CB-CD2 3.93Å; D143-F146 HydrophobicContact CB-CE2 4.42Å; D143-F146 PolarHBondContact O-N 2.83Å; D143-F146 VanDerWaalsContact OD2-CE2 3.26Å; D143-F146 WeakPolarHBondContact OD2-CE2 3.25Å; E144-F146 PolarHBondContact O-N 3.41Å; F146-S222 VanDerWaalsContact O-CA 3.3Å; F146-S222 WeakPolarHBondContact O-CA 3.47Å
147G96.9Very high96.4Very high13 Ų1371.3 Ų71.313%0.13439%0.388CS..  trans-178.6-177.7-176.700000114.5N142 H221N142-G147 PolarHBondContact ND2-O 3.43Å; G147-H221 WeakPolarHBondContact CA-NE2 3.37Å; G147-H221 WeakPolarHBondContact CA-O 3.3Å; G147-H221 PolarHBondContact O-NE2 2.69Å
148P97.2Very high96.5Very high79 Ų7972.4 Ų72.451%0.51340%0.395SS..  trans-69158.6-177.330.9-36.3000111.6F150 P151 H221P148-F150 VanDerWaalsContact C-N 3.28Å; P148-F150 PolarHBondContact O-N 3.47Å; P148-P151 HydrophobicContact CG-CB 4.22Å; P148-H221 PolarHBondContact O-CD2 2.96Å; P148-H221 PolarHBondContact O-NE2 3.46Å
149R97.1Very high96.5Very high125 Ų12580.9 Ų80.947%0.47242%0.424SS..SBendtrans-59.7-37.6175.2177.362.7-179.5-160.93.9113.2G140 N142 P151G140-R149 PolarHBondContact O-NH1 2.9Å; G140-R149 PolarHBondContact O-NH2 3.19Å; N142-R149 HydrophobicContact CB-CB 4.37Å; R149-P151 WeakPolarHBondContact O-CD 3.25Å
150F96.2Very high96.7Very high172 Ų17282.2 Ų82.275%0.75443%0.425SS*.SBendtrans-12479.9-175.4-55.7-66.7000109.1P148P148-F150 VanDerWaalsContact C-N 3.28Å; P148-F150 PolarHBondContact O-N 3.47Å
151P96.7Very high96.9Very high32 Ų3280.3 Ų80.321%0.20841%0.405CS..  trans-71.8144-179.529-33.6000112L138 P148 R149 M153L138-P151 HydrophobicContact CD1-CG 3.63Å; P148-P151 HydrophobicContact CG-CB 4.22Å; R149-P151 WeakPolarHBondContact O-CD 3.25Å; P151-M153 HydrophobicContact CB-SD 4.12Å; P151-M153 HydrophobicContact CG-SD 4.03Å
152V96.6Very high97Very high102 Ų10274.8 Ų74.862%0.61837%0.368SS*.  trans-82.2119.6168.1173.20000107.5Q154 H220V152-Q154 HydrophobicContact CG1-CB 4.37Å; V152-H220 PolarHBondContact O-NE2 2.89Å
153M97Very high97.1Very high52 Ų5275.5 Ų75.526%0.25638%0.377SS..  trans-91.7-7-173.2-62.1-52-63.300114.1P151 G155 T156 T217 H220P151-M153 HydrophobicContact CB-SD 4.12Å; P151-M153 HydrophobicContact CG-SD 4.03Å; M153-G155 PolarHBondContact O-N 2.81Å; M153-T156 WeakPolarHBondContact CE-OG1 3.25Å; M153-T156 PolarHBondContact O-N 2.93Å; M153-T156 VanDerWaalsContact O-N 3.13Å; M153-T156 PolarHBondContact O-OG1 2.88Å; M153-T217 HydrophobicContact CE-CG2 3.88Å; M153-T217 HydrophobicContact SD-CG2 4.47Å; M153-H220 HydrophobicContact CE-CB 4.35Å
154Q96.9Very high97.3Very high152 Ų15275.3 Ų75.371%0.7138%0.375SS*.THydrogen-bonded Turntrans-56.4133.9173-71.286.5-16.300110.5V152 T156V152-Q154 HydrophobicContact CG1-CB 4.37Å; Q154-T156 VanDerWaalsContact C-N 3.31Å
155G96.4Very high97.5Very high52 Ų5267 Ų6754%0.53634%0.337SS..THydrogen-bonded Turntrans73.821.1-179.400000114.2M153 Y157M153-G155 PolarHBondContact O-N 2.81Å; G155-Y157 PolarHBondContact O-N 2.85Å
156T98.7Very high97.7Very high1 Ų163.9 Ų63.91%0.00633%0.327CS..  trans-46-48.2170.8-690000111M153 Q154 H220 V226M153-T156 WeakPolarHBondContact CE-OG1 3.25Å; M153-T156 PolarHBondContact O-N 2.93Å; M153-T156 VanDerWaalsContact O-N 3.13Å; M153-T156 PolarHBondContact O-OG1 2.88Å; Q154-T156 VanDerWaalsContact C-N 3.31Å; T156-H220 HydrophobicContact CG2-CB 4.08Å; T156-V226 VanDerWaalsContact O-CB 3.3Å; T156-V226 WeakPolarHBondContact O-CB 3.46Å; T156-V226 WeakPolarHBondContact O-CG2 3.3Å
157Y98.8Very high97.8Very high6 Ų667.6 Ų67.62%0.02435%0.345CS..SBendtrans-87120.1175.1-53.5-75.1000110.3I123 T124 D125 H126 G155 R159 S216 V226 A228I123-Y157 HydrophobicContact CB-CD1 4.27Å; I123-Y157 HydrophobicContact CB-CE1 4.08Å; I123-Y157 HydrophobicContact CG2-CD1 4.19Å; I123-Y157 HydrophobicContact CG2-CD2 4.06Å; I123-Y157 HydrophobicContact CG2-CE1 3.75Å; I123-Y157 HydrophobicContact CG2-CE2 3.61Å; I123-Y157 HydrophobicContact CG2-CG 4.33Å; I123-Y157 VanDerWaalsContact CG2-CZ 3.43Å; I123-Y157 WeakPolarHBondContact O-CB 3.12Å; T124-Y157 WeakPolarHBondContact O-CD2 3.35Å; D125-Y157 VanDerWaalsContact C-CE2 3.49Å; H126-Y157 HydrophobicContact CB-CE2 4.02Å; H126-Y157 WeakPolarHBondContact CB-OH 3.37Å; H126-Y157 AromaticContact ND1-CE2 3.38Å; H126-Y157 WeakPolarHBondContact ND1-CE2 3.48Å; H126-Y157 AromaticContact ND1-CZ 3.51Å; H126-Y157 PolarHBondContact ND1-OH 3.44Å; G155-Y157 PolarHBondContact O-N 2.85Å; Y157-R159 PolarHBondContact O-N 3.34Å; Y157-S216 PolarHBondContact OH-OG 3.19Å; Y157-V226 HydrophobicContact CD1-CG1 4.11Å; Y157-V226 HydrophobicContact CE1-CG1 4.3Å; Y157-A228 HydrophobicContact CD1-CB 3.96Å; Y157-A228 HydrophobicContact CE1-CB 3.65Å
158T98.6Very high97.9Very high26 Ų2667.1 Ų67.116%0.1634%0.339CS..  trans-76.9115.2-168.9-56.10000111.2D160 L161 I162 K225 V226T158-D160 VanDerWaalsContact C-N 3.32Å; T158-D160 HydrophobicContact CG2-CB 4.44Å; T158-D160 PolarHBondContact O-N 2.83Å; T158-L161 HydrophobicContact CG2-CD1 4.44Å; T158-L161 HydrophobicContact CG2-CG 4.01Å; T158-L161 WeakPolarHBondContact O-CB 3.24Å; T158-L161 PolarHBondContact O-N 3.1Å; T158-I162 PolarHBondContact O-N 3.25Å; T158-I162 VanDerWaalsContact O-N 3.14Å; T158-K225 HydrophobicContact CG2-CB 4.22Å; T158-K225 HydrophobicContact CG2-CD 4.21Å; T158-K225 HydrophobicContact CG2-CG 4.2Å; T158-K225 WeakPolarHBondContact OG1-CA 3.46Å; T158-V226 PolarHBondContact N-O 3.26Å; T158-V226 PolarHBondContact OG1-N 3.37Å
159R98.3Very high98Very high213 Ų21363.4 Ų63.480%0.80432%0.315SS*.Hα-helixtrans-52.7-43.4-177.6-66.6-177.6179.2175.1-0.9113.9Y157 L161 I162 S163Y157-R159 PolarHBondContact O-N 3.34Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.23Å; R159-I162 WeakPolarHBondContact O-CB 3.36Å; R159-I162 PolarHBondContact O-N 3Å; R159-I162 VanDerWaalsContact O-N 3.16Å; R159-S163 PolarHBondContact O-N 3.27Å
160D98.3Very high98Very high105 Ų10560 Ų6056%0.56131%0.314SS*.Hα-helixtrans-61.7-38.3178.4-61.6-9.5000111.9T158 I162 S163 I164T158-D160 VanDerWaalsContact C-N 3.32Å; T158-D160 HydrophobicContact CG2-CB 4.44Å; T158-D160 PolarHBondContact O-N 2.83Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-S163 PolarHBondContact O-N 2.96Å; D160-I164 WeakPolarHBondContact O-CB 2.97Å; D160-I164 WeakPolarHBondContact O-CG1 3.42Å; D160-I164 PolarHBondContact O-N 3.19Å
161L98.7Very high98.1Very high2 Ų257.7 Ų57.71%0.0131%0.305CS..Hα-helixtrans-69.5-33.6177.4-63.8-174.7000111.9T101 T158 R159 I164 F165 K225 L227 L271T101-L161 HydrophobicContact CG2-CD1 3.67Å; T101-L161 HydrophobicContact CG2-CD2 4.45Å; T158-L161 HydrophobicContact CG2-CD1 4.44Å; T158-L161 HydrophobicContact CG2-CG 4.01Å; T158-L161 WeakPolarHBondContact O-CB 3.24Å; T158-L161 PolarHBondContact O-N 3.1Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.23Å; L161-I164 HydrophobicContact CD2-CD1 4.46Å; L161-I164 PolarHBondContact O-N 2.66Å; L161-F165 WeakPolarHBondContact O-CB 3.37Å; L161-F165 PolarHBondContact O-N 3.5Å; L161-K225 HydrophobicContact CD1-CB 3.67Å; L161-K225 HydrophobicContact CG-CB 4.42Å; L161-L227 HydrophobicContact CB-CB 4.07Å; L161-L227 HydrophobicContact CB-CD1 4.33Å; L161-L227 HydrophobicContact CD1-CB 3.96Å; L161-L271 HydrophobicContact CD2-CD2 3.54Å
162I98.8Very high98.1Very high16 Ų1657.6 Ų57.68%0.08231%0.307CS..Hα-helixtrans-65.5-43.1174-62.5169000110V122 T124 T158 R159 D160 F165 K166V122-I162 HydrophobicContact CG1-CG2 3.97Å; V122-I162 HydrophobicContact CG2-CB 4.46Å; V122-I162 HydrophobicContact CG2-CG1 3.91Å; V122-I162 HydrophobicContact CG2-CG2 4.24Å; T124-I162 HydrophobicContact CG2-CD1 4.29Å; T158-I162 PolarHBondContact O-N 3.25Å; T158-I162 VanDerWaalsContact O-N 3.14Å; R159-I162 WeakPolarHBondContact O-CB 3.36Å; R159-I162 PolarHBondContact O-N 3Å; R159-I162 VanDerWaalsContact O-N 3.16Å; D160-I162 VanDerWaalsContact C-N 3.34Å; I162-F165 WeakPolarHBondContact O-CB 3.3Å; I162-F165 PolarHBondContact O-N 3.47Å; I162-K166 HydrophobicContact CG2-CD 4.32Å; I162-K166 WeakPolarHBondContact O-CG 3.33Å; I162-K166 PolarHBondContact O-N 2.86Å
163S98.6Very high98.2Very high59 Ų5960.9 Ų60.941%0.41331%0.313SS..Hα-helixtrans-59.6-50.1173.9-166.60000111.5R159 D160 F165 K166 E167R159-S163 PolarHBondContact O-N 3.27Å; D160-S163 PolarHBondContact O-N 2.96Å; S163-F165 VanDerWaalsContact C-N 3.28Å; S163-F165 PolarHBondContact O-N 3.36Å; S163-K166 PolarHBondContact O-N 2.99Å; S163-K166 VanDerWaalsContact O-N 3.11Å; S163-E167 WeakPolarHBondContact O-CG 3.49Å; S163-E167 PolarHBondContact O-N 3.33Å; S163-E167 PolarHBondContact OG-OE1 3.1Å
164I98.6Very high98.2Very high31 Ų3159.9 Ų59.916%0.15931%0.308CS..Hα-helixtrans-58.2-40.2177.6-74.1167.5000111.4D160 L161 E167 A168 V267 R270D160-I164 WeakPolarHBondContact O-CB 2.97Å; D160-I164 WeakPolarHBondContact O-CG1 3.42Å; D160-I164 PolarHBondContact O-N 3.19Å; L161-I164 HydrophobicContact CD2-CD1 4.46Å; L161-I164 PolarHBondContact O-N 2.66Å; I164-E167 PolarHBondContact O-N 3.04Å; I164-A168 WeakPolarHBondContact O-CB 3.35Å; I164-A168 PolarHBondContact O-N 2.9Å; I164-V267 HydrophobicContact CG2-CB 4.14Å; I164-V267 HydrophobicContact CG2-CG1 4.02Å; I164-V267 HydrophobicContact CG2-CG2 4.06Å; I164-R270 HydrophobicContact CD1-CB 4.45Å; I164-R270 HydrophobicContact CG2-CB 4.01Å; I164-R270 HydrophobicContact CG2-CG 4.49Å
165F98.8Very high98.3Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-61.9-45.1175.9-179.7-94.3000111.8V122 L161 I162 S163 A168 A169 V178 L227 V229 L260 I263 L264 V267V122-F165 HydrophobicContact CB-CD1 3.97Å; V122-F165 HydrophobicContact CB-CE1 4.1Å; V122-F165 HydrophobicContact CG1-CD1 4.35Å; V122-F165 HydrophobicContact CG2-CD1 4.3Å; L161-F165 WeakPolarHBondContact O-CB 3.37Å; L161-F165 PolarHBondContact O-N 3.5Å; I162-F165 WeakPolarHBondContact O-CB 3.3Å; I162-F165 PolarHBondContact O-N 3.47Å; S163-F165 VanDerWaalsContact C-N 3.28Å; S163-F165 PolarHBondContact O-N 3.36Å; F165-A168 PolarHBondContact O-N 3.07Å; F165-A169 WeakPolarHBondContact O-CB 3.28Å; F165-A169 PolarHBondContact O-N 3.45Å; F165-V178 HydrophobicContact CD1-CG1 4.41Å; F165-V178 HydrophobicContact CE1-CG1 3.97Å; F165-V178 HydrophobicContact CE1-CG2 4.1Å; F165-L227 HydrophobicContact CB-CD1 4.06Å; F165-L227 HydrophobicContact CB-CD2 4.34Å; F165-L227 HydrophobicContact CD2-CD2 4.09Å; F165-L227 HydrophobicContact CG-CD1 4.38Å; F165-V229 HydrophobicContact CD2-CG2 4.07Å; F165-V229 HydrophobicContact CE2-CG1 4.32Å; F165-V229 HydrophobicContact CE2-CG2 3.61Å; F165-V229 HydrophobicContact CZ-CG1 3.92Å; F165-V229 HydrophobicContact CZ-CG2 3.9Å; F165-L260 HydrophobicContact CE2-CD1 3.69Å; F165-L260 HydrophobicContact CZ-CD1 3.94Å; F165-I263 HydrophobicContact CD2-CG2 3.58Å; F165-I263 HydrophobicContact CE2-CB 4.3Å; F165-I263 HydrophobicContact CE2-CG2 3.43Å; F165-I263 VanDerWaalsContact CE2-CG2 3.43Å; F165-I263 HydrophobicContact CG-CG2 4.24Å; F165-I263 HydrophobicContact CZ-CD1 4.42Å; F165-I263 HydrophobicContact CZ-CG2 3.97Å; F165-L264 HydrophobicContact CE2-CD2 4.37Å; F165-V267 HydrophobicContact CB-CG2 4.24Å; F165-V267 HydrophobicContact CD2-CG2 4.1Å
166K98.7Very high98.3Very high91 Ų9159.6 Ų59.640%0.39630%0.299SS..Hα-helixtrans-65.8-40.4178.2-69.4172.665.3170.70112.4I162 S163 A169 A170 E180I162-K166 HydrophobicContact CG2-CD 4.32Å; I162-K166 WeakPolarHBondContact O-CG 3.33Å; I162-K166 PolarHBondContact O-N 2.86Å; S163-K166 PolarHBondContact O-N 2.99Å; S163-K166 VanDerWaalsContact O-N 3.11Å; K166-A169 PolarHBondContact O-N 2.94Å; K166-A170 PolarHBondContact O-N 3.35Å; K166-E180 WeakPolarHBondContact CD-OE1 3.33Å; K166-E180 VanDerWaalsContact CE-OE1 3.3Å; K166-E180 WeakPolarHBondContact CE-OE1 3.39Å; K166-E180 IonicContact NZ-OE1 3.52Å; K166-E180 PolarHBondContact NZ-OE1 2.88Å
167E98.6Very high98.2Very high91 Ų9162.3 Ų62.343%0.42531%0.31SS..Hα-helixtrans-61.5-48.2173.9-71.3167.2-149.700111.3S163 I164 A169 A170 E171 R270S163-E167 WeakPolarHBondContact O-CG 3.49Å; S163-E167 PolarHBondContact O-N 3.33Å; S163-E167 PolarHBondContact OG-OE1 3.1Å; I164-E167 PolarHBondContact O-N 3.04Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.23Å; E167-A170 WeakPolarHBondContact O-CB 3.45Å; E167-A170 PolarHBondContact O-N 3.04Å; E167-E171 PolarHBondContact O-N 3.48Å; E167-R270 IonicContact OE2-NE 3.3Å
168A98.4Very high98.2Very high2 Ų263.1 Ų63.12%0.01732%0.315CS..Hα-helixtrans-63-34.7176.800000112.2I164 F165 E171 A172 I263 V267I164-A168 WeakPolarHBondContact O-CB 3.35Å; I164-A168 PolarHBondContact O-N 2.9Å; F165-A168 PolarHBondContact O-N 3.07Å; A168-E171 PolarHBondContact O-N 3.33Å; A168-A172 WeakPolarHBondContact O-CB 3.2Å; A168-A172 PolarHBondContact O-N 3.21Å; A168-I263 HydrophobicContact CB-CG2 3.87Å; A168-I263 WeakPolarHBondContact CB-O 3.2Å; A168-V267 HydrophobicContact CB-CG2 4.2Å
169A98.5Very high98.2Very high1 Ų164.9 Ų64.91%0.00832%0.319CS..Hα-helixtrans-67.1-37.9174.700000112.4F165 K166 E167 A172 K173 Q174 V178 I263F165-A169 WeakPolarHBondContact O-CB 3.28Å; F165-A169 PolarHBondContact O-N 3.45Å; K166-A169 PolarHBondContact O-N 2.94Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.23Å; A169-A172 CarbonylContact O-C 3.53Å; A169-A172 PolarHBondContact O-N 3.15Å; A169-K173 PolarHBondContact O-N 3.33Å; A169-K173 VanDerWaalsContact O-N 3.1Å; A169-Q174 PolarHBondContact O-N 3.07Å; A169-V178 HydrophobicContact CB-CG2 3.56Å; A169-I263 HydrophobicContact CB-CD1 3.89Å; A169-I263 HydrophobicContact CB-CG1 4.36Å; A169-I263 HydrophobicContact CB-CG2 4.18Å
170A98.3Very high98.2Very high53 Ų5359 Ų5944%0.43830%0.301SS..Hα-helixtrans-64.5-43.3174.100000111.9K166 E167 A172 K173 S175K166-A170 PolarHBondContact O-N 3.35Å; E167-A170 WeakPolarHBondContact O-CB 3.45Å; E167-A170 PolarHBondContact O-N 3.04Å; A170-A172 VanDerWaalsContact C-N 3.31Å; A170-A172 PolarHBondContact O-N 3.24Å; A170-K173 PolarHBondContact O-N 2.93Å; A170-S175 WeakPolarHBondContact CA-OG 3.47Å; A170-S175 WeakPolarHBondContact CB-OG 3.26Å; A170-S175 PolarHBondContact N-OG 2.8Å
171E97.9Very high98.2Very high125 Ų12554.1 Ų54.158%0.58428%0.275SS*.Hα-helixtrans-62.6-38.5174.7-69.6179.916100112.5E167 A168 K173 R270E167-E171 PolarHBondContact O-N 3.48Å; A168-E171 PolarHBondContact O-N 3.33Å; E171-K173 PolarHBondContact O-N 3.38Å; E171-R270 IonicContact OE1-CZ 2.64Å; E171-R270 IonicContact OE1-NH2 3.75Å; E171-R270 PolarHBondContact OE1-NH2 3.22Å; E171-R270 IonicContact OE2-CZ 3.61Å; E171-R270 VanDerWaalsContact OE2-CZ 3.3Å; E171-R270 IonicContact OE2-NH1 3.63Å; E171-R270 PolarHBondContact OE2-NH1 3.45Å; E171-R270 IonicContact OE2-NH2 2.88Å; E171-R270 PolarHBondContact OE2-NH2 3.21Å
172A97.5Very high98.2Very high29 Ų2955.8 Ų55.824%0.2429%0.285CS..THydrogen-bonded Turntrans-75-3.2175.100000113.6A168 A169 A170 Q174 P262 I263A168-A172 WeakPolarHBondContact O-CB 3.2Å; A168-A172 PolarHBondContact O-N 3.21Å; A169-A172 CarbonylContact O-C 3.53Å; A169-A172 PolarHBondContact O-N 3.15Å; A170-A172 VanDerWaalsContact C-N 3.31Å; A170-A172 PolarHBondContact O-N 3.24Å; A172-Q174 VanDerWaalsContact C-N 3.32Å; A172-Q174 HydrophobicContact CB-CG 4.13Å; A172-Q174 PolarHBondContact O-N 3.39Å; A172-P262 HydrophobicContact CB-CB 4.22Å; A172-P262 HydrophobicContact CB-CG 4.24Å; A172-I263 HydrophobicContact CB-CG1 3.91Å
173K97.7Very high98.2Very high172 Ų17255 Ų5575%0.74828%0.281SS*.THydrogen-bonded Turntrans56.542.5-174.9-53.8178.7-178.3178.30112.8A169 A170 E171A169-K173 PolarHBondContact O-N 3.33Å; A169-K173 VanDerWaalsContact O-N 3.1Å; A170-K173 PolarHBondContact O-N 2.93Å; E171-K173 PolarHBondContact O-N 3.38Å
174Q97.5Very high98.2Very high31 Ų3152.2 Ų52.215%0.14526%0.261CS..  trans-118.28.3-179.4-65.4-71-18.400112.6M120 A169 A172 E176 R177 I263M120-Q174 HydrophobicContact CE-CB 4Å; M120-Q174 HydrophobicContact CE-CG 4.43Å; A169-Q174 PolarHBondContact O-N 3.07Å; A172-Q174 VanDerWaalsContact C-N 3.32Å; A172-Q174 HydrophobicContact CB-CG 4.13Å; A172-Q174 PolarHBondContact O-N 3.39Å; Q174-E176 PolarHBondContact O-N 3.12Å; Q174-E176 VanDerWaalsContact O-N 3.15Å; Q174-R177 PolarHBondContact O-N 2.69Å; Q174-I263 HydrophobicContact CB-CD1 3.98Å; Q174-I263 HydrophobicContact CG-CD1 4.35Å
175S97.7Very high98.1Very high62 Ų6250.8 Ų50.843%0.43425%0.254SS..G310 helixtrans-55.1-34.4-175.1-63.80000113.9A170 R177 V178A170-S175 WeakPolarHBondContact CA-OG 3.47Å; A170-S175 WeakPolarHBondContact CB-OG 3.26Å; A170-S175 PolarHBondContact N-OG 2.8Å; S175-R177 PolarHBondContact O-N 3.16Å; S175-V178 PolarHBondContact O-N 2.76Å
176E97.1Very high98Very high136 Ų13651.9 Ų51.964%0.63626%0.259SS*.G310 helixtrans-64.9-19.8179.962.5-108.1-158.200114.8Q174 R179Q174-E176 PolarHBondContact O-N 3.12Å; Q174-E176 VanDerWaalsContact O-N 3.15Å; E176-R179 PolarHBondContact O-NH1 2.88Å; E176-R179 PolarHBondContact O-NH2 2.93Å; E176-R179 VanDerWaalsContact O-NH2 3.07Å
177R96.9Very high97.8Very high58 Ų5849.3 Ų49.322%0.21926%0.259CS..G310 helixtrans-101.9-4.7-179.2-71.3173.167-171.72.6112.8G118 D119 M120 Q174 S175 D259G118-R177 VanDerWaalsContact O-CZ 3.3Å; G118-R177 PolarHBondContact O-NE 3.24Å; G118-R177 VanDerWaalsContact O-NE 3.07Å; G118-R177 PolarHBondContact O-NH2 3.44Å; D119-R177 WeakPolarHBondContact CA-O 3.39Å; M120-R177 HydrophobicContact CE-CB 4.32Å; M120-R177 PolarHBondContact N-O 3.18Å; Q174-R177 PolarHBondContact O-N 2.69Å; S175-R177 PolarHBondContact O-N 3.16Å; R177-D259 IonicContact CZ-OD2 3.23Å; R177-D259 VanDerWaalsContact CZ-OD2 3.23Å; R177-D259 IonicContact NH1-OD1 3.8Å; R177-D259 IonicContact NH1-OD2 2.69Å; R177-D259 PolarHBondContact NH1-OD2 2.91Å; R177-D259 IonicContact NH2-OD2 2.88Å; R177-D259 PolarHBondContact NH2-OD2 2.84Å
178V98.4Very high97.5Very high23 Ų2346.3 Ų46.314%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-83.2127.9177.1176.10000109.9M120 F165 A169 S175M120-V178 WeakPolarHBondContact O-CA 3.25Å; F165-V178 HydrophobicContact CD1-CG1 4.41Å; F165-V178 HydrophobicContact CE1-CG1 3.97Å; F165-V178 HydrophobicContact CE1-CG2 4.1Å; A169-V178 HydrophobicContact CB-CG2 3.56Å; S175-V178 PolarHBondContact O-N 2.76Å
179R98.5Very high97.2Very high63 Ų6350.7 Ų50.724%0.23828%0.281CS..EExtended strand (participates in β ladder)trans-117.7157.9172.5-53.3-62.3176.8-140.5-18.5109.7Y115 D119 M120 M121 V122 E176Y115-R179 HydrophobicContact CD1-CB 4.11Å; Y115-R179 HydrophobicContact CD1-CG 3.6Å; Y115-R179 HydrophobicContact CD2-CB 4.4Å; Y115-R179 HydrophobicContact CD2-CG 4.3Å; Y115-R179 HydrophobicContact CE1-CB 3.72Å; Y115-R179 HydrophobicContact CE1-CG 3.71Å; Y115-R179 HydrophobicContact CE2-CB 3.99Å; Y115-R179 HydrophobicContact CE2-CG 4.35Å; Y115-R179 HydrophobicContact CG-CB 4.46Å; Y115-R179 HydrophobicContact CG-CG 3.94Å; D119-R179 HydrophobicContact CB-CG 4.03Å; D119-R179 IonicContact OD1-NH2 3.37Å; D119-R179 PolarHBondContact OD1-NH2 3.05Å; D119-R179 IonicContact OD2-CZ 3.34Å; D119-R179 IonicContact OD2-NE 2.65Å; D119-R179 PolarHBondContact OD2-NE 3.16Å; D119-R179 IonicContact OD2-NH2 3Å; D119-R179 PolarHBondContact OD2-NH2 3.18Å; M120-R179 PolarHBondContact O-N 2.95Å; M121-R179 CarbonylContact C-O 3.49Å; M121-R179 WeakPolarHBondContact CA-O 3.49Å; M121-R179 HydrophobicContact CB-CB 4.11Å; M121-R179 HydrophobicContact CG-CB 4.11Å; V122-R179 WeakPolarHBondContact CG1-O 3.38Å; V122-R179 PolarHBondContact N-O 3.47Å; E176-R179 PolarHBondContact O-NH1 2.88Å; E176-R179 PolarHBondContact O-NH2 2.93Å; E176-R179 VanDerWaalsContact O-NH2 3.07Å
180E98.5Very high96.9Very high90 Ų9054.2 Ų54.242%0.42131%0.31SS..EExtended strand (participates in β ladder)trans-123.7128.5171.5-72.1-179.1-118.500107.5Y115 V122 T124 K166Y115-E180 PolarHBondContact OH-O 3.36Å; V122-E180 HydrophobicContact CG1-CB 4.43Å; V122-E180 HydrophobicContact CG1-CG 3.59Å; V122-E180 WeakPolarHBondContact O-CA 3.28Å; T124-E180 HydrophobicContact CG2-CB 3.85Å; T124-E180 HydrophobicContact CG2-CG 4.26Å; K166-E180 WeakPolarHBondContact CD-OE1 3.33Å; K166-E180 VanDerWaalsContact CE-OE1 3.3Å; K166-E180 WeakPolarHBondContact CE-OE1 3.39Å; K166-E180 IonicContact NZ-OE1 3.52Å; K166-E180 PolarHBondContact NZ-OE1 2.88Å
181G98.4Very high96.5Very high2 Ų256.1 Ų56.12%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-167.4171.4-175.700000115.3V122 T124 D206V122-G181 PolarHBondContact O-N 2.84Å; T124-G181 PolarHBondContact N-O 2.63Å; T124-G181 PolarHBondContact OG1-O 2.83Å; G181-D206 WeakPolarHBondContact CA-OD2 3.29Å
182V98.7Very high96.1Very high37 Ų3751 Ų5122%0.22429%0.288CS..EExtended strand (participates in β ladder)trans-88.1128.4178.7-1790000110D125 G204 D206 A207D125-V182 HydrophobicContact CB-CG1 4.43Å; D125-V182 HydrophobicContact CB-CG2 4.15Å; D125-V182 WeakPolarHBondContact O-CA 3.26Å; V182-G204 WeakPolarHBondContact CB-O 3.25Å; V182-D206 PolarHBondContact N-OD2 3.21Å; V182-D206 PolarHBondContact O-N 3.13Å; V182-A207 PolarHBondContact O-N 2.87Å
183Y98.7Very high95.8Very high0 Ų053.2 Ų53.20%030%0.298CS..EExtended strand (participates in β ladder)trans-97.6119.2-179.8-175.1-90000111.9A108 M121 I123 D125 H126 F127 M185 G209 M210 S211 V212 V213 A230A108-Y183 HydrophobicContact CB-CD2 4.45Å; A108-Y183 HydrophobicContact CB-CE2 3.8Å; M121-Y183 HydrophobicContact CE-CD2 4.19Å; I123-Y183 HydrophobicContact CD1-CD1 4.44Å; I123-Y183 HydrophobicContact CD1-CD2 3.77Å; I123-Y183 HydrophobicContact CD1-CE2 4.47Å; I123-Y183 HydrophobicContact CD1-CG 3.74Å; I123-Y183 HydrophobicContact CG1-CD2 4.42Å; I123-Y183 HydrophobicContact CG1-CG 4.44Å; D125-Y183 PolarHBondContact O-N 3.2Å; H126-Y183 CarbonylContact C-O 3.6Å; H126-Y183 WeakPolarHBondContact CA-O 3.21Å; H126-Y183 VanDerWaalsContact CB-O 3.29Å; H126-Y183 WeakPolarHBondContact CB-O 3.38Å; F127-Y183 PolarHBondContact N-O 3.23Å; Y183-M185 HydrophobicContact CE1-CB 4.18Å; Y183-G209 WeakPolarHBondContact OH-CA 3.35Å; Y183-G209 PolarHBondContact OH-N 3.28Å; Y183-M210 PolarHBondContact OH-N 3.45Å; Y183-S211 VanDerWaalsContact CE1-O 3.28Å; Y183-S211 WeakPolarHBondContact CE1-O 3.26Å; Y183-V212 HydrophobicContact CE1-CB 4.25Å; Y183-V213 HydrophobicContact CD1-CG2 4.07Å; Y183-V213 HydrophobicContact CE1-CG2 4.39Å; Y183-A230 HydrophobicContact CD2-CB 4.22Å; Y183-A230 HydrophobicContact CE2-CB 4.25Å
184A98.3Very high95.5Very high0 Ų048.7 Ų48.70%028%0.282CS..EExtended strand (participates in β ladder)trans-84.6131.7168.800000111.3F127 L200 A205 A207 V208 G209F127-A184 HydrophobicContact CD1-CB 4.41Å; F127-A184 CarbonylContact O-C 3.52Å; F127-A184 VanDerWaalsContact O-CA 3.28Å; F127-A184 WeakPolarHBondContact O-CA 3.14Å; A184-L200 HydrophobicContact CB-CB 4.41Å; A184-L200 HydrophobicContact CB-CD1 4.11Å; A184-L200 HydrophobicContact CB-CD2 3.88Å; A184-L200 HydrophobicContact CB-CG 4.36Å; A184-A205 HydrophobicContact CB-CB 3.62Å; A184-A207 PolarHBondContact N-O 3.13Å; A184-V208 HydrophobicContact CB-CB 4.25Å; A184-V208 HydrophobicContact CB-CG2 4.25Å; A184-V208 CarbonylContact O-C 3.49Å; A184-V208 VanDerWaalsContact O-CA 3.29Å; A184-V208 WeakPolarHBondContact O-CA 3.4Å; A184-G209 PolarHBondContact O-N 3Å
185M98.2Very high95.3Very high1 Ų152.2 Ų52.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-106.2127.6168.4-165.6-170.886.700111.1F127 L129 P130 Y183 G209 S211 V213 W214F127-M185 PolarHBondContact O-N 2.8Å; L129-M185 PolarHBondContact N-O 3.19Å; L129-M185 VanDerWaalsContact N-O 3.12Å; P130-M185 VanDerWaalsContact CD-O 3.22Å; P130-M185 WeakPolarHBondContact CD-O 3.35Å; P130-M185 HydrophobicContact CG-CE 4.07Å; Y183-M185 HydrophobicContact CE1-CB 4.18Å; M185-G209 WeakPolarHBondContact CA-O 3.31Å; M185-S211 WeakPolarHBondContact CG-O 3.14Å; M185-S211 VanDerWaalsContact SD-O 3.4Å; M185-V213 HydrophobicContact CB-CB 4.08Å; M185-V213 HydrophobicContact CB-CG2 3.57Å; M185-V213 HydrophobicContact CG-CB 4.47Å; M185-V213 HydrophobicContact CG-CG2 4.32Å; M185-V213 HydrophobicContact SD-CB 3.67Å; M185-V213 HydrophobicContact SD-CG2 4.13Å; M185-W214 HydrophobicContact CE-CD2 3.61Å; M185-W214 HydrophobicContact CE-CE3 3.9Å; M185-W214 HydrophobicContact CE-CG 4.38Å; M185-W214 HydrophobicContact CE-CH2 3.58Å; M185-W214 HydrophobicContact CE-CZ2 3.19Å; M185-W214 HydrophobicContact CE-CZ3 3.9Å; M185-W214 HydrophobicContact SD-CD2 4.16Å; M185-W214 HydrophobicContact SD-CG 4.43Å
186I96.5Very high95Very high22 Ų2254.1 Ų54.111%0.11331%0.308CS..  trans-110.6166.6168.163.2172.2000110.4A192 L200 V208 G209 M210I186-A192 HydrophobicContact CD1-CB 4.23Å; I186-L200 HydrophobicContact CG2-CD1 3.98Å; I186-V208 HydrophobicContact CD1-CG2 4.14Å; I186-V208 HydrophobicContact CG1-CG2 4.04Å; I186-V208 HydrophobicContact CG2-CG2 4.01Å; I186-G209 PolarHBondContact N-O 3.32Å; I186-M210 HydrophobicContact CD1-CE 4.45Å; I186-M210 HydrophobicContact CG1-CG 4.1Å; I186-M210 WeakPolarHBondContact O-CA 3.25Å
187G92.9Very high94.9Very high38 Ų3847.8 Ų47.839%0.39228%0.279SS..  trans-74.8-25.1-174.300000115.6
188G92.4Very high94.8Very high28 Ų2849.9 Ų49.929%0.28929%0.29SS..  trans63.3-174.6-168.900000113.2A190 M210G188-A190 VanDerWaalsContact C-N 3.27Å; G188-M210 VanDerWaalsContact CA-SD 3.6Å
189P93.1Very high94.6Very high94 Ų9453.4 Ų53.461%0.6130%0.303SS*.SBendcis-79.6-7.5-5.434.8-34.6000112.6Y79 F191Y79-P189 HydrophobicContact CD2-CB 4.38Å; Y79-P189 HydrophobicContact CG-CB 4.1Å; P189-F191 PolarHBondContact O-N 2.8Å
190A91.2Very high94.5Very high74 Ų7450.5 Ų50.561%0.61229%0.293SS*.SBendtrans-65.4131.6175.100000110.5G188 M210G188-A190 VanDerWaalsContact C-N 3.27Å; A190-M210 WeakPolarHBondContact O-CE 3.44Å
191F89.9Confident94.4Very high93 Ų9351.7 Ų51.741%0.40829%0.293SS..PPolyproline II helixtrans-65153164.8-66.4-82000110P189 M210 T244P189-F191 PolarHBondContact O-N 2.8Å; F191-M210 HydrophobicContact CD1-CE 3.86Å; F191-M210 HydrophobicContact CE1-CE 4.13Å; F191-M210 HydrophobicContact CG-CE 4.2Å; F191-T244 HydrophobicContact CE1-CG2 3.96Å; F191-T244 HydrophobicContact CZ-CG2 4.04Å
192A90.3Very high94.3Very high18 Ų1856.1 Ų56.115%0.14932%0.324CS..PPolyproline II helixtrans-64137.2178.800000111I186 E196I186-A192 HydrophobicContact CD1-CB 4.23Å; A192-E196 HydrophobicContact CB-CB 3.95Å
193T90.9Very high94.1Very high75 Ų7557.4 Ų57.446%0.4633%0.331SS..PPolyproline II helixtrans-63.3164.7165.962.80000110.9T195 E196 S197T193-T195 PolarHBondContact O-N 3.5Å; T193-E196 WeakPolarHBondContact CB-OE2 3.43Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.46Å; T193-E196 PolarHBondContact N-OE2 3.3Å; T193-E196 PolarHBondContact O-N 3.3Å; T193-E196 VanDerWaalsContact O-N 3.16Å; T193-E196 WeakPolarHBondContact OG1-CB 3.49Å; T193-E196 VanDerWaalsContact OG1-CD 3.29Å; T193-E196 VanDerWaalsContact OG1-CG 3.28Å; T193-E196 WeakPolarHBondContact OG1-CG 3.45Å; T193-E196 PolarHBondContact OG1-N 2.83Å; T193-E196 PolarHBondContact OG1-OE2 3.14Å; T193-S197 WeakPolarHBondContact O-CB 3.4Å; T193-S197 PolarHBondContact O-N 3.18Å; T193-S197 PolarHBondContact O-OG 3Å; T193-S197 VanDerWaalsContact O-OG 3.11Å
194D91Very high94Very high77 Ų7759.4 Ų59.441%0.41235%0.352SS..Hα-helixtrans-54.3-38.6173.9-69-3.4000112.7K198 Y239D194-K198 WeakPolarHBondContact O-CB 3.47Å; D194-K198 WeakPolarHBondContact O-CD 3.34Å; D194-K198 WeakPolarHBondContact O-CG 3.13Å; D194-K198 PolarHBondContact O-N 3.28Å; D194-Y239 HydrophobicContact CB-CD1 3.72Å; D194-Y239 HydrophobicContact CB-CE1 4.04Å
195T92.9Very high94Very high106 Ų10659.5 Ų59.565%0.6535%0.353SS*.Hα-helixtrans-71.5-41.3-179.6-59.50000111T193 K198 F199T193-T195 PolarHBondContact O-N 3.5Å; T195-K198 PolarHBondContact O-N 3.03Å; T195-F199 WeakPolarHBondContact O-CB 3.28Å; T195-F199 PolarHBondContact O-N 2.8Å
196E93.4Very high94Very high101 Ų10161 Ų6147%0.47236%0.361SS..Hα-helixtrans-65.1-41.5174.5-71.2162.3154.700111A192 T193 K198 F199 L200A192-E196 HydrophobicContact CB-CB 3.95Å; T193-E196 WeakPolarHBondContact CB-OE2 3.43Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.46Å; T193-E196 PolarHBondContact N-OE2 3.3Å; T193-E196 PolarHBondContact O-N 3.3Å; T193-E196 VanDerWaalsContact O-N 3.16Å; T193-E196 WeakPolarHBondContact OG1-CB 3.49Å; T193-E196 VanDerWaalsContact OG1-CD 3.29Å; T193-E196 VanDerWaalsContact OG1-CG 3.28Å; T193-E196 WeakPolarHBondContact OG1-CG 3.45Å; T193-E196 PolarHBondContact OG1-N 2.83Å; T193-E196 PolarHBondContact OG1-OE2 3.14Å; E196-K198 PolarHBondContact O-N 2.78Å; E196-F199 WeakPolarHBondContact O-CB 3.26Å; E196-F199 PolarHBondContact O-N 3.03Å; E196-L200 VanDerWaalsContact O-CG 3.29Å; E196-L200 WeakPolarHBondContact O-CG 3.44Å; E196-L200 PolarHBondContact O-N 2.95Å
197S93.7Very high94.1Very high4 Ų460 Ų603%0.02836%0.356CS..Hα-helixtrans-61.6-44.1174.6-63.40000111.8T193 F199 L200 R201T193-S197 WeakPolarHBondContact O-CB 3.4Å; T193-S197 PolarHBondContact O-N 3.18Å; T193-S197 PolarHBondContact O-OG 3Å; T193-S197 VanDerWaalsContact O-OG 3.11Å; S197-F199 VanDerWaalsContact C-N 3.33Å; S197-F199 PolarHBondContact O-N 3.14Å; S197-L200 PolarHBondContact O-N 2.85Å; S197-R201 WeakPolarHBondContact O-CB 3.23Å; S197-R201 PolarHBondContact O-N 2.81Å
198K94Very high94.3Very high102 Ų10258.6 Ų58.644%0.44334%0.34SS..Hα-helixtrans-60.6-41.2173-75.6167.4-171.8169.60112.1D194 T195 E196 S202 Y239D194-K198 WeakPolarHBondContact O-CB 3.47Å; D194-K198 WeakPolarHBondContact O-CD 3.34Å; D194-K198 WeakPolarHBondContact O-CG 3.13Å; D194-K198 PolarHBondContact O-N 3.28Å; T195-K198 PolarHBondContact O-N 3.03Å; E196-K198 PolarHBondContact O-N 2.78Å; K198-S202 WeakPolarHBondContact O-CB 3.37Å; K198-S202 PolarHBondContact O-N 2.82Å; K198-S202 PolarHBondContact O-OG 3.11Å; K198-Y239 HydrophobicContact CD-CE1 4.4Å; K198-Y239 VanDerWaalsContact CE-CE1 3.49Å; K198-Y239 HydrophobicContact CG-CE1 4.14Å; K198-Y239 VanDerWaalsContact CG-OH 3.27Å; K198-Y239 WeakPolarHBondContact CG-OH 3.28Å
199F95.3Very high94.5Very high97 Ų9757.8 Ų57.843%0.42533%0.331SS..Hα-helixtrans-63.7-49176.3169.2-100.2000111.6F127 L129 T195 E196 S197 R201 S202 V203F127-F199 HydrophobicContact CE1-CE1 4.43Å; F127-F199 HydrophobicContact CZ-CE1 4.49Å; L129-F199 HydrophobicContact CD1-CE1 4.29Å; T195-F199 WeakPolarHBondContact O-CB 3.28Å; T195-F199 PolarHBondContact O-N 2.8Å; E196-F199 WeakPolarHBondContact O-CB 3.26Å; E196-F199 PolarHBondContact O-N 3.03Å; S197-F199 VanDerWaalsContact C-N 3.33Å; S197-F199 PolarHBondContact O-N 3.14Å; F199-R201 VanDerWaalsContact C-N 3.3Å; F199-R201 PolarHBondContact O-N 2.84Å; F199-S202 PolarHBondContact O-N 3.3Å; F199-S202 VanDerWaalsContact O-N 3.12Å; F199-S202 PolarHBondContact O-OG 2.95Å; F199-V203 HydrophobicContact CD2-CG1 4.41Å; F199-V203 HydrophobicContact CE2-CG1 3.93Å; F199-V203 HydrophobicContact CZ-CG1 4.07Å; F199-V203 PolarHBondContact O-N 3.46Å; F199-V203 VanDerWaalsContact O-N 3.12Å
200L96.2Very high94.7Very high2 Ų254.8 Ų54.81%0.0131%0.31CS..Hα-helixtrans-60.1-42.4178.9-67.8175.8000111.4L111 F127 A184 I186 E196 S197 V203 G204 A205 V208L111-L200 HydrophobicContact CD1-CB 3.58Å; L111-L200 HydrophobicContact CD1-CD1 4.46Å; F127-L200 HydrophobicContact CD1-CD2 4.03Å; F127-L200 HydrophobicContact CE1-CD2 3.96Å; A184-L200 HydrophobicContact CB-CB 4.41Å; A184-L200 HydrophobicContact CB-CD1 4.11Å; A184-L200 HydrophobicContact CB-CD2 3.88Å; A184-L200 HydrophobicContact CB-CG 4.36Å; I186-L200 HydrophobicContact CG2-CD1 3.98Å; E196-L200 VanDerWaalsContact O-CG 3.29Å; E196-L200 WeakPolarHBondContact O-CG 3.44Å; E196-L200 PolarHBondContact O-N 2.95Å; S197-L200 PolarHBondContact O-N 2.85Å; L200-V203 WeakPolarHBondContact O-CG2 3.32Å; L200-V203 PolarHBondContact O-N 3.36Å; L200-G204 PolarHBondContact O-N 2.94Å; L200-A205 HydrophobicContact CB-CB 4.34Å; L200-A205 VanDerWaalsContact O-CB 3.22Å; L200-A205 WeakPolarHBondContact O-CB 3.36Å; L200-A205 PolarHBondContact O-N 2.83Å; L200-V208 HydrophobicContact CD1-CB 3.99Å; L200-V208 HydrophobicContact CD1-CG2 3.54Å
201R95.6Very high94.9Very high115 Ų11551.7 Ų51.743%0.43428%0.283SS..Hα-helixtrans-63.8-42.1174.3-171.9-177.3171.5-179.2-6.2112.3L111 S197 F199 V203 G204L111-R201 HydrophobicContact CB-CB 4.24Å; L111-R201 WeakPolarHBondContact O-CD 3.45Å; S197-R201 WeakPolarHBondContact O-CB 3.23Å; S197-R201 PolarHBondContact O-N 2.81Å; F199-R201 VanDerWaalsContact C-N 3.3Å; F199-R201 PolarHBondContact O-N 2.84Å; R201-V203 PolarHBondContact O-N 2.83Å; R201-G204 PolarHBondContact O-N 3.23Å
202S96.4Very high95.3Very high95 Ų9547.3 Ų47.366%0.66426%0.264SS*.Hα-helixtrans-67-24.7-177.575.40000113K198 F199 G204K198-S202 WeakPolarHBondContact O-CB 3.37Å; K198-S202 PolarHBondContact O-N 2.82Å; K198-S202 PolarHBondContact O-OG 3.11Å; F199-S202 PolarHBondContact O-N 3.3Å; F199-S202 VanDerWaalsContact O-N 3.12Å; F199-S202 PolarHBondContact O-OG 2.95Å; S202-G204 VanDerWaalsContact C-N 3.3Å
203V96Very high95.7Very high63 Ų6346.4 Ų46.438%0.38226%0.257SS..THydrogen-bonded Turntrans-89.79.3172.5-56.30000113.5F127 F199 L200 R201F127-V203 HydrophobicContact CD1-CG2 4.3Å; F127-V203 HydrophobicContact CD2-CG2 4.3Å; F127-V203 HydrophobicContact CE1-CG2 4.1Å; F127-V203 HydrophobicContact CE2-CG2 4.1Å; F127-V203 HydrophobicContact CG-CG2 4.39Å; F127-V203 HydrophobicContact CZ-CG2 4Å; F199-V203 HydrophobicContact CD2-CG1 4.41Å; F199-V203 HydrophobicContact CE2-CG1 3.93Å; F199-V203 HydrophobicContact CZ-CG1 4.07Å; F199-V203 PolarHBondContact O-N 3.46Å; F199-V203 VanDerWaalsContact O-N 3.12Å; L200-V203 WeakPolarHBondContact O-CG2 3.32Å; L200-V203 PolarHBondContact O-N 3.36Å; R201-V203 PolarHBondContact O-N 2.83Å
204G96.6Very high96Very high43 Ų4343.4 Ų43.444%0.44324%0.237SC..THydrogen-bonded Turntrans94.113.1170.500000115.6V182 L200 R201 S202V182-G204 WeakPolarHBondContact CB-O 3.25Å; L200-G204 PolarHBondContact O-N 2.94Å; R201-G204 PolarHBondContact O-N 3.23Å; S202-G204 VanDerWaalsContact C-N 3.3Å
205A98.1Very high96.4Very high2 Ų240 Ų402%0.01722%0.218CC..  trans-77.5136.9172.500000111.7L111 A184 L200L111-A205 HydrophobicContact CD1-CB 3.74Å; A184-A205 HydrophobicContact CB-CB 3.62Å; L200-A205 HydrophobicContact CB-CB 4.34Å; L200-A205 VanDerWaalsContact O-CB 3.22Å; L200-A205 WeakPolarHBondContact O-CB 3.36Å; L200-A205 PolarHBondContact O-N 2.83Å
206D98.1Very high96.7Very high33 Ų3334.9 Ų34.918%0.17619%0.187CC..SBendtrans-97.7-26177.7-66.1-72.8000112.8L111 N112 Y115 M121 G181 V182L111-D206 PolarHBondContact N-O 3.5Å; N112-D206 HydrophobicContact CB-CB 4.06Å; N112-D206 PolarHBondContact N-O 3.06Å; N112-D206 PolarHBondContact ND2-OD1 3.07Å; Y115-D206 HydrophobicContact CE2-CB 3.67Å; M121-D206 HydrophobicContact SD-CB 4.06Å; G181-D206 WeakPolarHBondContact CA-OD2 3.29Å; V182-D206 PolarHBondContact N-OD2 3.21Å; V182-D206 PolarHBondContact O-N 3.13Å
207A98Very high96.9Very high0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-145.1159174.100000111A108 G109 M121 V182 A184 I232A108-A207 HydrophobicContact CB-CB 4.01Å; G109-A207 CarbonylContact O-C 3.35Å; G109-A207 VanDerWaalsContact O-CA 3.23Å; G109-A207 WeakPolarHBondContact O-CA 3.33Å; M121-A207 HydrophobicContact CE-CB 3.77Å; M121-A207 HydrophobicContact SD-CB 3.75Å; V182-A207 PolarHBondContact O-N 2.87Å; A184-A207 PolarHBondContact N-O 3.13Å; A207-I232 HydrophobicContact CB-CD1 4.03Å
208V97.5Very high97.2Very high9 Ų930.7 Ų30.76%0.05517%0.169CC..EExtended strand (participates in β ladder)trans-128.7143.6177.259.70000111.3A108 G109 L111 A184 I186 L200 L236A108-V208 CarbonylContact C-O 3.53Å; A108-V208 VanDerWaalsContact CA-O 3.3Å; A108-V208 WeakPolarHBondContact CA-O 3.45Å; A108-V208 WeakPolarHBondContact CB-O 3.13Å; G109-V208 PolarHBondContact N-O 3.15Å; G109-V208 PolarHBondContact O-N 3.05Å; L111-V208 HydrophobicContact CD1-CB 4.09Å; L111-V208 HydrophobicContact CD1-CG1 4.35Å; L111-V208 HydrophobicContact CD2-CG1 4.12Å; L111-V208 HydrophobicContact CG-CB 4.41Å; L111-V208 HydrophobicContact CG-CG1 4.16Å; A184-V208 HydrophobicContact CB-CB 4.25Å; A184-V208 HydrophobicContact CB-CG2 4.25Å; A184-V208 CarbonylContact O-C 3.49Å; A184-V208 VanDerWaalsContact O-CA 3.29Å; A184-V208 WeakPolarHBondContact O-CA 3.4Å; I186-V208 HydrophobicContact CD1-CG2 4.14Å; I186-V208 HydrophobicContact CG1-CG2 4.04Å; I186-V208 HydrophobicContact CG2-CG2 4.01Å; L200-V208 HydrophobicContact CD1-CB 3.99Å; L200-V208 HydrophobicContact CD1-CG2 3.54Å; V208-L236 HydrophobicContact CG1-CD1 3.3Å
209G96.7Very high97.4Very high10 Ų1025.9 Ų25.910%0.10315%0.148CC..EExtended strand (participates in β ladder)trans-159.3-161.8162.900000112.2Y183 A184 M185 I186Y183-G209 WeakPolarHBondContact OH-CA 3.35Å; Y183-G209 PolarHBondContact OH-N 3.28Å; A184-G209 PolarHBondContact O-N 3Å; M185-G209 WeakPolarHBondContact CA-O 3.31Å; I186-G209 PolarHBondContact N-O 3.32Å
210M96.1Very high97.5Very high32 Ų3223.5 Ų23.516%0.15814%0.138CC..SBendtrans-118.914.8-164.6-55.6175.1-17400113.5H77 Y79 Y183 I186 G188 A190 F191H77-M210 PolarHBondContact CD2-O 2.57Å; Y79-M210 HydrophobicContact CD1-CB 4.4Å; Y79-M210 HydrophobicContact CD1-SD 4.32Å; Y79-M210 HydrophobicContact CE1-CB 3.98Å; Y79-M210 HydrophobicContact CE1-SD 4Å; Y183-M210 PolarHBondContact OH-N 3.45Å; I186-M210 HydrophobicContact CD1-CE 4.45Å; I186-M210 HydrophobicContact CG1-CG 4.1Å; I186-M210 WeakPolarHBondContact O-CA 3.25Å; G188-M210 VanDerWaalsContact CA-SD 3.6Å; A190-M210 WeakPolarHBondContact O-CE 3.44Å; F191-M210 HydrophobicContact CD1-CE 3.86Å; F191-M210 HydrophobicContact CE1-CE 4.13Å; F191-M210 HydrophobicContact CG-CE 4.2Å
211S96.7Very high97.6Very high8 Ų823.8 Ų23.86%0.05614%0.139CC..SBendtrans-151.8-159.5-176.164.50000112.3R75 Y183 M185 V213R75-S211 VanDerWaalsContact CD-CB 3.5Å; R75-S211 WeakPolarHBondContact CD-OG 3.31Å; Y183-S211 VanDerWaalsContact CE1-O 3.28Å; Y183-S211 WeakPolarHBondContact CE1-O 3.26Å; M185-S211 WeakPolarHBondContact CG-O 3.14Å; M185-S211 VanDerWaalsContact SD-O 3.4Å; S211-V213 PolarHBondContact O-N 3.29Å
212V98.3Very high97.8Very high1 Ų118.6 Ų18.61%0.00612%0.12CC..SBendtrans76.5-42.5174.5-178.40000114.2L104 A106 I123 Y183 E215 S216 A228L104-V212 HydrophobicContact CB-CG1 4.34Å; L104-V212 HydrophobicContact CD1-CG1 4.09Å; A106-V212 HydrophobicContact CB-CG2 3.34Å; I123-V212 HydrophobicContact CD1-CG1 3.93Å; Y183-V212 HydrophobicContact CE1-CB 4.25Å; V212-E215 VanDerWaalsContact C-OE2 3.23Å; V212-E215 WeakPolarHBondContact CA-OE2 3.47Å; V212-E215 PolarHBondContact N-OE2 2.79Å; V212-E215 PolarHBondContact O-N 3.01Å; V212-S216 WeakPolarHBondContact CG1-OG 3.43Å; V212-S216 VanDerWaalsContact O-CB 3.3Å; V212-S216 WeakPolarHBondContact O-CB 3.35Å; V212-S216 PolarHBondContact O-N 3.04Å; V212-S216 PolarHBondContact O-OG 2.76Å; V212-A228 HydrophobicContact CG1-CB 3.98Å
213V98.5Very high97.8Very high0 Ų017.1 Ų17.10%012%0.12CC..Hα-helixtrans-74.5-33.6-170.2-177.40000112H126 C128 Y183 M185 S211 S216 T217H126-V213 HydrophobicContact CB-CG2 3.83Å; C128-V213 HydrophobicContact CB-CG1 3.73Å; Y183-V213 HydrophobicContact CD1-CG2 4.07Å; Y183-V213 HydrophobicContact CE1-CG2 4.39Å; M185-V213 HydrophobicContact CB-CB 4.08Å; M185-V213 HydrophobicContact CB-CG2 3.57Å; M185-V213 HydrophobicContact CG-CB 4.47Å; M185-V213 HydrophobicContact CG-CG2 4.32Å; M185-V213 HydrophobicContact SD-CB 3.67Å; M185-V213 HydrophobicContact SD-CG2 4.13Å; S211-V213 PolarHBondContact O-N 3.29Å; V213-S216 PolarHBondContact O-N 3.41Å; V213-T217 VanDerWaalsContact O-CB 3.22Å; V213-T217 WeakPolarHBondContact O-CB 3.22Å; V213-T217 PolarHBondContact O-N 3.38Å; V213-T217 PolarHBondContact O-OG1 2.94Å
214W98.1Very high98Very high12 Ų1214.4 Ų14.45%0.04510%0.103CC..Hα-helixtrans-59.4-49.7171.8-57.6155.8000111.5S78 P84 A88 C128 P130 I135 P137 M185 T217 V218S78-W214 PolarHBondContact OG-NE1 2.77Å; S78-W214 VanDerWaalsContact OG-NE1 3.16Å; P84-W214 HydrophobicContact CB-CD2 3.96Å; P84-W214 HydrophobicContact CB-CE3 4.49Å; P84-W214 HydrophobicContact CB-CG 4.19Å; P84-W214 HydrophobicContact CB-CZ2 4.14Å; P84-W214 HydrophobicContact CG-CH2 4.49Å; P84-W214 HydrophobicContact CG-CZ2 3.94Å; A88-W214 HydrophobicContact CB-CB 4.18Å; C128-W214 WeakPolarHBondContact SG-CZ3 3.23Å; P130-W214 HydrophobicContact CB-CH2 3.8Å; P130-W214 HydrophobicContact CB-CZ2 3.97Å; P130-W214 HydrophobicContact CG-CZ2 4.49Å; I135-W214 HydrophobicContact CG2-CH2 4.08Å; I135-W214 HydrophobicContact CG2-CZ2 4.09Å; I135-W214 VanDerWaalsContact O-CH2 3.31Å; I135-W214 WeakPolarHBondContact O-CH2 3.44Å; P137-W214 HydrophobicContact CG-CB 4.49Å; P137-W214 HydrophobicContact CG-CE3 4.18Å; M185-W214 HydrophobicContact CE-CD2 3.61Å; M185-W214 HydrophobicContact CE-CE3 3.9Å; M185-W214 HydrophobicContact CE-CG 4.38Å; M185-W214 HydrophobicContact CE-CH2 3.58Å; M185-W214 HydrophobicContact CE-CZ2 3.19Å; M185-W214 HydrophobicContact CE-CZ3 3.9Å; M185-W214 HydrophobicContact SD-CD2 4.16Å; M185-W214 HydrophobicContact SD-CG 4.43Å; W214-T217 PolarHBondContact O-N 3.26Å; W214-V218 PolarHBondContact O-N 3.49Å; W214-V218 VanDerWaalsContact O-N 3.15Å
215E98.7Very high98.1Very high4 Ų417.2 Ų17.22%0.01910%0.103CC..Hα-helixtrans-65.2-43.9179.1-60.898.4135.300112R75 I91 L104 V212 T217 V218 A219R75-E215 WeakPolarHBondContact CD-OE1 3.43Å; R75-E215 IonicContact CZ-OE1 2.69Å; R75-E215 IonicContact NE-OE1 3.62Å; R75-E215 VanDerWaalsContact NH1-CD 3.32Å; R75-E215 IonicContact NH1-OE1 3.78Å; R75-E215 PolarHBondContact NH1-OE1 2.8Å; R75-E215 IonicContact NH1-OE2 2.66Å; I91-E215 HydrophobicContact CD1-CB 3.97Å; I91-E215 HydrophobicContact CD1-CG 4.14Å; I91-E215 HydrophobicContact CG1-CB 3.65Å; I91-E215 HydrophobicContact CG1-CG 3.88Å; L104-E215 HydrophobicContact CD1-CB 3.8Å; L104-E215 HydrophobicContact CD2-CB 3.87Å; V212-E215 VanDerWaalsContact C-OE2 3.23Å; V212-E215 WeakPolarHBondContact CA-OE2 3.47Å; V212-E215 PolarHBondContact N-OE2 2.79Å; V212-E215 PolarHBondContact O-N 3.01Å; E215-T217 VanDerWaalsContact C-N 3.32Å; E215-T217 PolarHBondContact O-N 3.13Å; E215-V218 WeakPolarHBondContact O-CG2 3.43Å; E215-V218 PolarHBondContact O-N 3.09Å; E215-A219 VanDerWaalsContact O-CB 3.24Å; E215-A219 WeakPolarHBondContact O-CB 3.36Å; E215-A219 PolarHBondContact O-N 3.25Å
216S98.8Very high98.1Very high0 Ų017.1 Ų17.10%010%0.103CC..Hα-helixtrans-62-42.1177.7-56.30000111.1L104 Y157 V212 V213 A219 H220L104-S216 VanDerWaalsContact CD1-OG 3.25Å; L104-S216 WeakPolarHBondContact CD1-OG 3.39Å; Y157-S216 PolarHBondContact OH-OG 3.19Å; V212-S216 WeakPolarHBondContact CG1-OG 3.43Å; V212-S216 VanDerWaalsContact O-CB 3.3Å; V212-S216 WeakPolarHBondContact O-CB 3.35Å; V212-S216 PolarHBondContact O-N 3.04Å; V212-S216 PolarHBondContact O-OG 2.76Å; V213-S216 PolarHBondContact O-N 3.41Å; S216-A219 PolarHBondContact O-N 2.99Å; S216-H220 WeakPolarHBondContact O-CB 3.29Å; S216-H220 PolarHBondContact O-N 2.84Å
217T98.4Very high98.1Very high15 Ų1515.5 Ų15.59%0.0929%0.094CC..Hα-helixtrans-61.7-50.2179.9-63.40000111.2P137 L138 M153 V213 W214 E215 H221P137-T217 HydrophobicContact CG-CG2 3.97Å; L138-T217 HydrophobicContact CD1-CG2 3.87Å; L138-T217 HydrophobicContact CG-CG2 4.04Å; M153-T217 HydrophobicContact CE-CG2 3.88Å; M153-T217 HydrophobicContact SD-CG2 4.47Å; V213-T217 VanDerWaalsContact O-CB 3.22Å; V213-T217 WeakPolarHBondContact O-CB 3.22Å; V213-T217 PolarHBondContact O-N 3.38Å; V213-T217 PolarHBondContact O-OG1 2.94Å; W214-T217 PolarHBondContact O-N 3.26Å; E215-T217 VanDerWaalsContact C-N 3.32Å; E215-T217 PolarHBondContact O-N 3.13Å; T217-H221 VanDerWaalsContact O-CB 3.23Å; T217-H221 WeakPolarHBondContact O-CB 3.29Å; T217-H221 PolarHBondContact O-N 3.33Å
218V98.5Very high98.2Very high2 Ų215.5 Ų15.51%0.0129%0.094CC..Hα-helixtrans-73.7-29-179.2-57.30000112.7A88 I91 P137 L138 W214 E215 S222A88-V218 HydrophobicContact CB-CB 4.21Å; A88-V218 HydrophobicContact CB-CG1 3.56Å; A88-V218 HydrophobicContact CB-CG2 3.6Å; I91-V218 HydrophobicContact CB-CG2 3.6Å; I91-V218 HydrophobicContact CG1-CG2 4.02Å; I91-V218 HydrophobicContact CG2-CG2 3.78Å; P137-V218 HydrophobicContact CB-CG1 3.72Å; P137-V218 HydrophobicContact CG-CG1 3.86Å; L138-V218 HydrophobicContact CD2-CG1 4.08Å; W214-V218 PolarHBondContact O-N 3.49Å; W214-V218 VanDerWaalsContact O-N 3.15Å; E215-V218 WeakPolarHBondContact O-CG2 3.43Å; E215-V218 PolarHBondContact O-N 3.09Å; V218-S222 VanDerWaalsContact O-CB 3.25Å; V218-S222 WeakPolarHBondContact O-CB 3.35Å; V218-S222 PolarHBondContact O-N 3.49Å; V218-S222 PolarHBondContact O-OG 2.9Å
219A98.7Very high98.2Very high0 Ų015.2 Ų15.20%09%0.092CC..Hα-helixtrans-63.3-51.8174.900000110.4I91 V102 E215 S216 S222 G223 M224 V226I91-A219 HydrophobicContact CG2-CB 3.7Å; V102-A219 HydrophobicContact CG1-CB 3.61Å; E215-A219 VanDerWaalsContact O-CB 3.24Å; E215-A219 WeakPolarHBondContact O-CB 3.36Å; E215-A219 PolarHBondContact O-N 3.25Å; S216-A219 PolarHBondContact O-N 2.99Å; A219-S222 CarbonylContact O-C 3.57Å; A219-S222 WeakPolarHBondContact O-CA 3.11Å; A219-S222 PolarHBondContact O-N 3.37Å; A219-S222 VanDerWaalsContact O-N 3.12Å; A219-G223 PolarHBondContact O-N 3.49Å; A219-M224 HydrophobicContact CB-CB 4.26Å; A219-M224 HydrophobicContact CB-SD 4.42Å; A219-M224 WeakPolarHBondContact O-CB 3.19Å; A219-M224 PolarHBondContact O-N 3.11Å; A219-V226 HydrophobicContact CB-CG2 3.6Å
220H98.5Very high98.3Very high47 Ų4714.7 Ų14.722%0.2189%0.087CC..Hα-helixtrans-62.9-44.8177.2-178.273.2000111.8V152 M153 T156 S216 S222 G223V152-H220 PolarHBondContact O-NE2 2.89Å; M153-H220 HydrophobicContact CE-CB 4.35Å; T156-H220 HydrophobicContact CG2-CB 4.08Å; S216-H220 WeakPolarHBondContact O-CB 3.29Å; S216-H220 PolarHBondContact O-N 2.84Å; H220-S222 PolarHBondContact O-N 3.03Å; H220-G223 PolarHBondContact O-N 3.12Å
221H98.4Very high98.4Very high8 Ų813.3 Ų13.34%0.0378%0.081CC..Hα-helixtrans-54.4-38.1172.6177.5-114.9000112.1L138 G147 P148 T217 G223L138-H221 HydrophobicContact CD1-CB 4.42Å; L138-H221 HydrophobicContact CD2-CB 4.26Å; G147-H221 WeakPolarHBondContact CA-NE2 3.37Å; G147-H221 WeakPolarHBondContact CA-O 3.3Å; G147-H221 PolarHBondContact O-NE2 2.69Å; P148-H221 PolarHBondContact O-CD2 2.96Å; P148-H221 PolarHBondContact O-NE2 3.46Å; T217-H221 VanDerWaalsContact O-CB 3.23Å; T217-H221 WeakPolarHBondContact O-CB 3.29Å; T217-H221 PolarHBondContact O-N 3.33Å; H221-G223 PolarHBondContact O-N 3.23Å
222S98.1Very high98.4Very high6 Ų612.9 Ų12.94%0.0428%0.078CC..THydrogen-bonded Turntrans-81.48.5177.7-51.80000114.2H95 F146 V218 A219 H220 M224H95-S222 PolarHBondContact CE1-O 3.12Å; H95-S222 PolarHBondContact ND1-O 3.31Å; F146-S222 VanDerWaalsContact O-CA 3.3Å; F146-S222 WeakPolarHBondContact O-CA 3.47Å; V218-S222 VanDerWaalsContact O-CB 3.25Å; V218-S222 WeakPolarHBondContact O-CB 3.35Å; V218-S222 PolarHBondContact O-N 3.49Å; V218-S222 PolarHBondContact O-OG 2.9Å; A219-S222 CarbonylContact O-C 3.57Å; A219-S222 WeakPolarHBondContact O-CA 3.11Å; A219-S222 PolarHBondContact O-N 3.37Å; A219-S222 VanDerWaalsContact O-N 3.12Å; H220-S222 PolarHBondContact O-N 3.03Å; S222-M224 VanDerWaalsContact C-N 3.25Å; S222-M224 PolarHBondContact O-N 3.44Å
223G97.9Very high98.3Very high65 Ų6513.2 Ų13.267%0.678%0.08SC*.THydrogen-bonded Turntrans67.320.1-178.700000114.7A219 H220 H221A219-G223 PolarHBondContact O-N 3.49Å; H220-G223 PolarHBondContact O-N 3.12Å; H221-G223 PolarHBondContact O-N 3.23Å
224M98.7Very high98Very high5 Ų514 Ų143%0.0258%0.084CC..  trans-82.1148.2174.7-58.1177.471.200110.6I91 H95 A99 R100 V102 A219 S222I91-M224 HydrophobicContact CG2-SD 4Å; H95-M224 HydrophobicContact CB-CG 4.48Å; H95-M224 HydrophobicContact CB-SD 3.75Å; A99-M224 HydrophobicContact CB-CE 3.93Å; R100-M224 CarbonylContact O-C 3.5Å; R100-M224 WeakPolarHBondContact O-CA 3.22Å; V102-M224 HydrophobicContact CB-CE 4.01Å; A219-M224 HydrophobicContact CB-CB 4.26Å; A219-M224 HydrophobicContact CB-SD 4.42Å; A219-M224 WeakPolarHBondContact O-CB 3.19Å; A219-M224 PolarHBondContact O-N 3.11Å; S222-M224 VanDerWaalsContact C-N 3.25Å; S222-M224 PolarHBondContact O-N 3.44Å
225K98.8Very high97.6Very high102 Ų10216 Ų1644%0.44310%0.098SC..EExtended strand (participates in β ladder)trans-75136.4166.4-61-176.2174.9-170.10109.5R100 T101 V102 T158 L161R100-K225 PolarHBondContact O-N 2.91Å; T101-K225 CarbonylContact C-O 3.18Å; T101-K225 WeakPolarHBondContact CA-O 3.23Å; V102-K225 PolarHBondContact N-O 3.38Å; T158-K225 HydrophobicContact CG2-CB 4.22Å; T158-K225 HydrophobicContact CG2-CD 4.21Å; T158-K225 HydrophobicContact CG2-CG 4.2Å; T158-K225 WeakPolarHBondContact OG1-CA 3.46Å; L161-K225 HydrophobicContact CD1-CB 3.67Å; L161-K225 HydrophobicContact CG-CB 4.42Å
226V98.9Very high96.9Very high0 Ų017.3 Ų17.30%011%0.105CC..EExtended strand (participates in β ladder)trans-118124.3-176.4-170.90000109.9V102 L104 T156 Y157 T158 A219V102-V226 HydrophobicContact CG1-CB 4.3Å; V102-V226 HydrophobicContact CG1-CG1 4.05Å; V102-V226 HydrophobicContact CG1-CG2 4.08Å; L104-V226 HydrophobicContact CD1-CG1 4.14Å; T156-V226 VanDerWaalsContact O-CB 3.3Å; T156-V226 WeakPolarHBondContact O-CB 3.46Å; T156-V226 WeakPolarHBondContact O-CG2 3.3Å; Y157-V226 HydrophobicContact CD1-CG1 4.11Å; Y157-V226 HydrophobicContact CE1-CG1 4.3Å; T158-V226 PolarHBondContact N-O 3.26Å; T158-V226 PolarHBondContact OG1-N 3.37Å; A219-V226 HydrophobicContact CB-CG2 3.6Å
227L98.9Very high95.5Very high0 Ų018.8 Ų18.80%012%0.119CC..EExtended strand (participates in β ladder)trans-111.5131.6160.1176.964.5000107.3V102 I103 L104 V122 L161 F165 V229 V267V102-L227 PolarHBondContact O-N 2.98Å; I103-L227 CarbonylContact C-O 3.56Å; I103-L227 VanDerWaalsContact CA-O 3.27Å; I103-L227 WeakPolarHBondContact CA-O 3.38Å; I103-L227 HydrophobicContact CD1-CD2 4.49Å; I103-L227 HydrophobicContact CG1-CB 4.37Å; I103-L227 HydrophobicContact CG1-CD2 4.3Å; I103-L227 HydrophobicContact CG2-CD2 4.34Å; L104-L227 PolarHBondContact N-O 2.88Å; V122-L227 HydrophobicContact CG2-CD1 3.69Å; L161-L227 HydrophobicContact CB-CB 4.07Å; L161-L227 HydrophobicContact CB-CD1 4.33Å; L161-L227 HydrophobicContact CD1-CB 3.96Å; F165-L227 HydrophobicContact CB-CD1 4.06Å; F165-L227 HydrophobicContact CB-CD2 4.34Å; F165-L227 HydrophobicContact CD2-CD2 4.09Å; F165-L227 HydrophobicContact CG-CD1 4.38Å; L227-V229 HydrophobicContact CD1-CG2 4.46Å; L227-V229 HydrophobicContact CG-CG2 4.33Å; L227-V267 HydrophobicContact CD2-CG1 4.01Å; L227-V267 HydrophobicContact CD2-CG2 4.25Å
228A98.8Very high94Very high0 Ų022.9 Ų22.90%014%0.141CC..EExtended strand (participates in β ladder)trans-133.7136.8174.200000110.6L104 I123 Y157 V212L104-A228 HydrophobicContact CB-CB 3.97Å; L104-A228 CarbonylContact O-C 3.54Å; L104-A228 VanDerWaalsContact O-CA 3.24Å; L104-A228 WeakPolarHBondContact O-CA 3.47Å; I123-A228 HydrophobicContact CB-CB 4.15Å; I123-A228 HydrophobicContact CD1-CB 3.82Å; I123-A228 HydrophobicContact CG1-CB 4.24Å; I123-A228 PolarHBondContact N-O 2.91Å; Y157-A228 HydrophobicContact CD1-CB 3.96Å; Y157-A228 HydrophobicContact CE1-CB 3.65Å; V212-A228 HydrophobicContact CG1-CB 3.98Å
229V98.7Very high92.6Very high2 Ų226.8 Ų26.81%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-133.1123.5-175.2-173.30000109.3L104 T105 A106 M120 M121 F165 L227 L260L104-V229 PolarHBondContact O-N 3.25Å; T105-V229 CarbonylContact C-O 3.52Å; T105-V229 VanDerWaalsContact CA-O 3.25Å; T105-V229 WeakPolarHBondContact CA-O 3.29Å; A106-V229 PolarHBondContact N-O 2.91Å; M120-V229 HydrophobicContact CB-CG1 4.23Å; M121-V229 CarbonylContact O-C 3.59Å; M121-V229 WeakPolarHBondContact O-CA 3.34Å; F165-V229 HydrophobicContact CD2-CG2 4.07Å; F165-V229 HydrophobicContact CE2-CG1 4.32Å; F165-V229 HydrophobicContact CE2-CG2 3.61Å; F165-V229 HydrophobicContact CZ-CG1 3.92Å; F165-V229 HydrophobicContact CZ-CG2 3.9Å; L227-V229 HydrophobicContact CD1-CG2 4.46Å; L227-V229 HydrophobicContact CG-CG2 4.33Å; V229-L260 HydrophobicContact CG1-CD1 4.08Å; V229-L260 HydrophobicContact CG1-CD2 4.39Å
230A98.4Very high90.8Very high0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-99.3124.2173.700000110.1A106 A108 M121 I123 Y183A106-A230 CarbonylContact O-C 3.52Å; A106-A230 VanDerWaalsContact O-CA 3.32Å; A106-A230 WeakPolarHBondContact O-CA 3.21Å; A108-A230 HydrophobicContact CB-CB 3.8Å; M121-A230 HydrophobicContact CB-CB 4.42Å; M121-A230 HydrophobicContact CE-CB 4.24Å; M121-A230 PolarHBondContact N-O 3.17Å; M121-A230 PolarHBondContact O-N 2.92Å; I123-A230 HydrophobicContact CD1-CB 4.48Å; Y183-A230 HydrophobicContact CD2-CB 4.22Å; Y183-A230 HydrophobicContact CE2-CB 4.25Å
231A98Very high89Confident2 Ų231.1 Ų31.12%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-76.7121.3164.700000108.6L26 A106 A107 A108 T233 V256L26-A231 HydrophobicContact CD2-CB 4.33Å; A106-A231 PolarHBondContact O-N 2.87Å; A107-A231 WeakPolarHBondContact CA-O 3.41Å; A108-A231 PolarHBondContact N-O 3.32Å; A231-T233 PolarHBondContact O-N 2.75Å; A231-V256 HydrophobicContact CB-CB 3.95Å; A231-V256 HydrophobicContact CB-CG1 3.59Å; A231-V256 HydrophobicContact CB-CG2 4.27Å
232I97.4Very high87.3Confident0 Ų039 Ų390%024%0.237CC..EExtended strand (participates in β ladder)trans-75.5110.4176.7-58-54.3000108.6A108 A110 Y115 K116 I117 G118 D119 M121 A207A108-I232 HydrophobicContact CB-CD1 4.47Å; A108-I232 WeakPolarHBondContact O-CA 3.47Å; A110-I232 HydrophobicContact CB-CD1 4.37Å; A110-I232 HydrophobicContact CB-CG2 3.59Å; Y115-I232 HydrophobicContact CD2-CD1 4.25Å; Y115-I232 HydrophobicContact CD2-CG1 4.45Å; K116-I232 WeakPolarHBondContact O-CB 3.33Å; K116-I232 WeakPolarHBondContact O-CG2 3.43Å; I117-I232 WeakPolarHBondContact CA-O 3.45Å; G118-I232 PolarHBondContact N-O 3.13Å; D119-I232 HydrophobicContact CB-CB 4.26Å; D119-I232 HydrophobicContact CB-CG1 4Å; D119-I232 PolarHBondContact O-N 3.19Å; M121-I232 HydrophobicContact CB-CD1 4.2Å; A207-I232 HydrophobicContact CB-CD1 4.03Å
233T94.7Very high85.7Confident8 Ų843 Ų435%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-100.1-24.4-174.547.50000113.7A107 A108 A231 V249 V252A107-T233 HydrophobicContact CB-CG2 3.69Å; A108-T233 PolarHBondContact O-N 3.47Å; A108-T233 PolarHBondContact O-OG1 2.94Å; A231-T233 PolarHBondContact O-N 2.75Å; T233-V249 HydrophobicContact CG2-CG1 4Å; T233-V252 HydrophobicContact CG2-CB 4.08Å; T233-V252 HydrophobicContact CG2-CG1 4.09Å
234D92.4Very high84.6Confident16 Ų1641.2 Ų41.29%0.08624%0.241CC..EExtended strand (participates in β ladder)trans-153.4165.7-177.157.6-48.2000110G109 A110 L236 T244G109-D234 WeakPolarHBondContact CA-O 3.33Å; G109-D234 WeakPolarHBondContact CA-OD1 3.45Å; G109-D234 PolarHBondContact N-OD1 2.96Å; A110-D234 PolarHBondContact N-O 2.81Å; D234-L236 WeakPolarHBondContact OD2-CD2 3.49Å; D234-T244 HydrophobicContact CB-CG2 4.03Å; D234-T244 WeakPolarHBondContact OD2-CG2 3.25Å; D234-T244 PolarHBondContact OD2-OG1 2.84Å
235V89.5Confident83.8Confident54 Ų5445.3 Ų45.333%0.32726%0.262SS..EExtended strand (participates in β ladder)trans-127.2116.2-178.4-179.10000109A110 I117 G237A110-V235 HydrophobicContact CB-CG2 4.23Å; I117-V235 HydrophobicContact CG1-CG2 4Å; V235-G237 VanDerWaalsContact C-N 3.27Å; V235-G237 PolarHBondContact O-N 3.25Å
236L84.9Confident83.1Confident32 Ų3243.3 Ų43.317%0.16825%0.254CS..THydrogen-bonded Turntrans-91.528.5-169.8-59.7175.4000113.4A110 L111 V208 D234A110-L236 PolarHBondContact O-N 2.9Å; L111-L236 HydrophobicContact CD2-CB 4.2Å; L111-L236 HydrophobicContact CD2-CD1 3.99Å; V208-L236 HydrophobicContact CG1-CD1 3.3Å; D234-L236 WeakPolarHBondContact OD2-CD2 3.49Å
237G69.6Low82.5Confident30 Ų3050.1 Ų50.131%0.30929%0.286SS..THydrogen-bonded Turntrans-118.2-11.4-169.100000115.9V235 Y239V235-G237 VanDerWaalsContact C-N 3.27Å; V235-G237 PolarHBondContact O-N 3.25Å; G237-Y239 VanDerWaalsContact C-N 3.33Å; G237-Y239 VanDerWaalsContact O-CD2 3.28Å; G237-Y239 WeakPolarHBondContact O-CD2 3.41Å; G237-Y239 VanDerWaalsContact O-CE2 3.26Å; G237-Y239 WeakPolarHBondContact O-CE2 3.4Å
238D66.5Low81.9Confident101 Ų10154.8 Ų54.854%0.5431%0.308SS..SBendtrans-82.5-15-179.176.76.2000113S240D238-S240 PolarHBondContact O-N 2.83Å; D238-S240 VanDerWaalsContact OD1-CB 3.27Å; D238-S240 WeakPolarHBondContact OD1-CB 3.43Å; D238-S240 PolarHBondContact OD1-N 3.37Å; D238-S240 PolarHBondContact OD1-OG 3.25Å; D238-S240 PolarHBondContact OD2-OG 2.95Å; D238-S240 VanDerWaalsContact OD2-OG 3.05Å
239Y67.9Low81.5Confident85 Ų8555.3 Ų55.333%0.33331%0.311SS..  trans43.630-177.4-48.9-67.3000112.6D194 K198 G237 G241D194-Y239 HydrophobicContact CB-CD1 3.72Å; D194-Y239 HydrophobicContact CB-CE1 4.04Å; K198-Y239 HydrophobicContact CD-CE1 4.4Å; K198-Y239 VanDerWaalsContact CE-CE1 3.49Å; K198-Y239 HydrophobicContact CG-CE1 4.14Å; K198-Y239 VanDerWaalsContact CG-OH 3.27Å; K198-Y239 WeakPolarHBondContact CG-OH 3.28Å; G237-Y239 VanDerWaalsContact C-N 3.33Å; G237-Y239 VanDerWaalsContact O-CD2 3.28Å; G237-Y239 WeakPolarHBondContact O-CD2 3.41Å; G237-Y239 VanDerWaalsContact O-CE2 3.26Å; G237-Y239 WeakPolarHBondContact O-CE2 3.4Å; Y239-G241 PolarHBondContact O-N 3.32Å
240S61.3Low81.1Confident67 Ų6756.9 Ų56.947%0.46932%0.321SS..SBendtrans-76-5.3-172.3640000112.6D238 K242D238-S240 PolarHBondContact O-N 2.83Å; D238-S240 VanDerWaalsContact OD1-CB 3.27Å; D238-S240 WeakPolarHBondContact OD1-CB 3.43Å; D238-S240 PolarHBondContact OD1-N 3.37Å; D238-S240 PolarHBondContact OD1-OG 3.25Å; D238-S240 PolarHBondContact OD2-OG 2.95Å; D238-S240 VanDerWaalsContact OD2-OG 3.05Å; S240-K242 PolarHBondContact O-N 3.37Å; S240-K242 WeakPolarHBondContact OG-CG 3.28Å; S240-K242 PolarHBondContact OG-N 3.41Å
241G60.8Low80.8Confident71 Ų7161.8 Ų61.873%0.73234%0.344SS*.  trans75.95.3-171.500000113.5Y239 S243Y239-G241 PolarHBondContact O-N 3.32Å; G241-S243 PolarHBondContact O-N 3.13Å
242K63.4Low80.6Confident174 Ų17463 Ų6376%0.75735%0.35SS*.PPolyproline II helixtrans-62.5119.7169.2-78.2-177.4177.4-1790109.4S240S240-K242 PolarHBondContact O-N 3.37Å; S240-K242 WeakPolarHBondContact OG-CG 3.28Å; S240-K242 PolarHBondContact OG-N 3.41Å
243S63.9Low80.4Confident88 Ų8863 Ų6362%0.61535%0.35SS*.PPolyproline II helixtrans-77.2124.8172.758.50000109.8G241 L245G241-S243 PolarHBondContact O-N 3.13Å; S243-L245 PolarHBondContact O-N 3.21Å
244T74.4Confident80.3Confident29 Ų2965 Ų6518%0.17837%0.365CS..PPolyproline II helixtrans-63.4122.3165.5-56.40000109.8F191 D234 V249F191-T244 HydrophobicContact CE1-CG2 3.96Å; F191-T244 HydrophobicContact CZ-CG2 4.04Å; D234-T244 HydrophobicContact CB-CG2 4.03Å; D234-T244 WeakPolarHBondContact OD2-CG2 3.25Å; D234-T244 PolarHBondContact OD2-OG1 2.84Å; T244-V249 HydrophobicContact CG2-CG2 3.61Å
245L82.3Confident80.4Confident90 Ų9069.7 Ų69.747%0.47139%0.385SS..PPolyproline II helixtrans-95138.2172.4-61178.1000110.6S243 Q247 E248 V249S243-L245 PolarHBondContact O-N 3.21Å; L245-Q247 PolarHBondContact O-N 2.9Å; L245-Q247 VanDerWaalsContact O-N 3.16Å; L245-E248 HydrophobicContact CB-CG 4.08Å; L245-E248 PolarHBondContact N-OE2 3.11Å; L245-E248 WeakPolarHBondContact O-CB 3.45Å; L245-E248 PolarHBondContact O-N 3.28Å; L245-V249 PolarHBondContact O-N 3.37Å
246H83.3Confident80.6Confident60 Ų6067.2 Ų67.228%0.27837%0.37SS..Hα-helixtrans-55.2-35.8177-175.965.2000112.7E53 E248 V249 V250E53-H246 PolarHBondContact O-NE2 2.79Å; E53-H246 IonicContact OE2-CD2 3.87Å; H246-E248 VanDerWaalsContact C-N 3.34Å; H246-E248 PolarHBondContact O-N 3.08Å; H246-V249 WeakPolarHBondContact O-CB 3.48Å; H246-V249 PolarHBondContact O-N 3.14Å; H246-V250 WeakPolarHBondContact O-CG2 3.42Å; H246-V250 PolarHBondContact O-N 3.19Å
247Q86.8Confident81.1Confident143 Ų14365.7 Ų65.767%0.66836%0.362SS*.Hα-helixtrans-61.9-39.9176.9-172.5-179.4-13.900112.6L245 V249 V250 E251L245-Q247 PolarHBondContact O-N 2.9Å; L245-Q247 VanDerWaalsContact O-N 3.16Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; Q247-V250 PolarHBondContact O-N 2.93Å; Q247-E251 PolarHBondContact O-N 2.69Å
248E87.6Confident82.3Confident98 Ų9868.3 Ų68.346%0.45837%0.369SS..Hα-helixtrans-67.2-38.9177.3-64.6173.2148.600110.8L245 H246 V250 E251 V252L245-E248 HydrophobicContact CB-CG 4.08Å; L245-E248 PolarHBondContact N-OE2 3.11Å; L245-E248 WeakPolarHBondContact O-CB 3.45Å; L245-E248 PolarHBondContact O-N 3.28Å; H246-E248 VanDerWaalsContact C-N 3.34Å; H246-E248 PolarHBondContact O-N 3.08Å; E248-V250 VanDerWaalsContact C-N 3.34Å; E248-V250 PolarHBondContact O-N 3.07Å; E248-E251 PolarHBondContact O-N 3.5Å; E248-V252 WeakPolarHBondContact O-CG2 3.39Å; E248-V252 PolarHBondContact O-N 3Å
249V89.6Confident83.7Confident11 Ų1165.7 Ų65.77%0.06736%0.355CS..Hα-helixtrans-58-47.1173.71760000110.7A107 T233 T244 L245 H246 Q247 G253A107-V249 HydrophobicContact CB-CG1 3.45Å; A107-V249 VanDerWaalsContact CB-CG1 3.45Å; T233-V249 HydrophobicContact CG2-CG1 4Å; T244-V249 HydrophobicContact CG2-CG2 3.61Å; L245-V249 PolarHBondContact O-N 3.37Å; H246-V249 WeakPolarHBondContact O-CB 3.48Å; H246-V249 PolarHBondContact O-N 3.14Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; V249-G253 PolarHBondContact O-N 3.23Å
250V90.6Very high85Confident35 Ų3561.7 Ų61.721%0.21234%0.339CS..Hα-helixtrans-64.7-42178.1172.50000111.6H246 Q247 E248 G253 S254H246-V250 WeakPolarHBondContact O-CG2 3.42Å; H246-V250 PolarHBondContact O-N 3.19Å; Q247-V250 PolarHBondContact O-N 2.93Å; E248-V250 VanDerWaalsContact C-N 3.34Å; E248-V250 PolarHBondContact O-N 3.07Å; V250-G253 PolarHBondContact O-N 2.76Å; V250-S254 PolarHBondContact O-N 2.88Å
251E91.7Very high86.7Confident104 Ų10459.2 Ų59.249%0.48632%0.32SS..Hα-helixtrans-63.7-49.2179.4-170.3-170.6152.700112Q247 E248 S254 K255Q247-E251 PolarHBondContact O-N 2.69Å; E248-E251 PolarHBondContact O-N 3.5Å; E251-S254 PolarHBondContact O-N 2.83Å; E251-K255 PolarHBondContact O-N 3.49Å; E251-K255 WeakPolarHBondContact OE1-CE 3.42Å; E251-K255 IonicContact OE1-NZ 2.68Å; E251-K255 PolarHBondContact OE1-NZ 2.89Å
252V93.3Very high88.3Confident26 Ų2658.6 Ų58.616%0.15830%0.303CS..Hα-helixtrans-64.5-43.3177.4176.70000110.4I117 T233 E248 S254 K255 V256I117-V252 HydrophobicContact CG2-CB 4.43Å; I117-V252 HydrophobicContact CG2-CG1 3.69Å; I117-V252 HydrophobicContact CG2-CG2 3.85Å; T233-V252 HydrophobicContact CG2-CB 4.08Å; T233-V252 HydrophobicContact CG2-CG1 4.09Å; E248-V252 WeakPolarHBondContact O-CG2 3.39Å; E248-V252 PolarHBondContact O-N 3Å; V252-S254 VanDerWaalsContact C-N 3.29Å; V252-S254 PolarHBondContact O-N 3.19Å; V252-K255 PolarHBondContact O-N 2.84Å; V252-K255 VanDerWaalsContact O-N 3.11Å; V252-V256 HydrophobicContact CG1-CG2 4.13Å; V252-V256 WeakPolarHBondContact O-CG2 3.49Å; V252-V256 PolarHBondContact O-N 2.9Å
253G93.2Very high90Very high0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-53.7-45.7176.400000112.1G25 L26 V249 V250 K255 V256 A257G25-G253 CarbonylContact O-C 3.56Å; L26-G253 WeakPolarHBondContact CD2-O 3.48Å; V249-G253 PolarHBondContact O-N 3.23Å; V250-G253 PolarHBondContact O-N 2.76Å; G253-K255 VanDerWaalsContact C-N 3.35Å; G253-K255 PolarHBondContact O-N 3.39Å; G253-V256 PolarHBondContact O-N 3.45Å; G253-A257 WeakPolarHBondContact O-CB 3.14Å; G253-A257 PolarHBondContact O-N 3.29Å
254S92.8Very high91.6Very high51 Ų5146.1 Ų46.136%0.35724%0.238SC..Hα-helixtrans-63.1-38.3178.7-175.60000113G25 V250 E251 V252 N258G25-S254 WeakPolarHBondContact O-CA 3.3Å; G25-S254 PolarHBondContact O-N 3.37Å; G25-S254 VanDerWaalsContact O-N 3.13Å; V250-S254 PolarHBondContact O-N 2.88Å; E251-S254 PolarHBondContact O-N 2.83Å; V252-S254 VanDerWaalsContact C-N 3.29Å; V252-S254 PolarHBondContact O-N 3.19Å; S254-N258 PolarHBondContact O-ND2 3.34Å; S254-N258 VanDerWaalsContact O-ND2 3.13Å
255K94Very high92.7Very high115 Ų11548.2 Ų48.250%0.525%0.246SC..Hα-helixtrans-64.5-49174.1-67.1173.1-171.51640110.8E251 V252 G253 A257 N258E251-K255 PolarHBondContact O-N 3.49Å; E251-K255 WeakPolarHBondContact OE1-CE 3.42Å; E251-K255 IonicContact OE1-NZ 2.68Å; E251-K255 PolarHBondContact OE1-NZ 2.89Å; V252-K255 PolarHBondContact O-N 2.84Å; V252-K255 VanDerWaalsContact O-N 3.11Å; G253-K255 VanDerWaalsContact C-N 3.35Å; G253-K255 PolarHBondContact O-N 3.39Å; K255-A257 VanDerWaalsContact C-N 3.3Å; K255-A257 PolarHBondContact O-N 2.98Å; K255-N258 PolarHBondContact O-N 3.47Å
256V95.8Very high93.4Very high1 Ų144.2 Ų44.21%0.00623%0.227CC..Hα-helixtrans-63-35.8179.2177.80000111.9M120 A231 V252 G253 N258 D259 L260M120-V256 HydrophobicContact CG-CG1 3.59Å; M120-V256 HydrophobicContact SD-CG1 4.23Å; A231-V256 HydrophobicContact CB-CB 3.95Å; A231-V256 HydrophobicContact CB-CG1 3.59Å; A231-V256 HydrophobicContact CB-CG2 4.27Å; V252-V256 HydrophobicContact CG1-CG2 4.13Å; V252-V256 WeakPolarHBondContact O-CG2 3.49Å; V252-V256 PolarHBondContact O-N 2.9Å; G253-V256 PolarHBondContact O-N 3.45Å; V256-N258 VanDerWaalsContact C-N 3.27Å; V256-N258 PolarHBondContact O-N 2.92Å; V256-D259 PolarHBondContact O-N 2.81Å; V256-D259 VanDerWaalsContact O-N 3.11Å; V256-L260 VanDerWaalsContact O-CB 3.26Å; V256-L260 WeakPolarHBondContact O-CB 3.49Å; V256-L260 PolarHBondContact O-N 3.46Å
257A94.7Very high94.1Very high1 Ų141.4 Ų41.41%0.00821%0.214CC..Hα-helixtrans-56.7-39.9176.400000112.7L26 C28 L29 G253 K255 D259 L260 M261L26-A257 HydrophobicContact CD2-CB 3.82Å; C28-A257 WeakPolarHBondContact SG-CB 3.31Å; L29-A257 HydrophobicContact CD2-CB 4.04Å; L29-A257 VanDerWaalsContact CD2-O 3.23Å; L29-A257 WeakPolarHBondContact CD2-O 3.36Å; L29-A257 HydrophobicContact CG-CB 3.98Å; G253-A257 WeakPolarHBondContact O-CB 3.14Å; G253-A257 PolarHBondContact O-N 3.29Å; K255-A257 VanDerWaalsContact C-N 3.3Å; K255-A257 PolarHBondContact O-N 2.98Å; A257-D259 VanDerWaalsContact C-N 3.31Å; A257-D259 PolarHBondContact O-N 3.46Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-M261 WeakPolarHBondContact O-CB 3.47Å; A257-M261 PolarHBondContact O-N 2.85Å
258N94.4Very high94.6Very high85 Ų8534.6 Ų34.646%0.45518%0.182SC..Hα-helixtrans-64.2-38.2178-69.8-52.4000112S254 K255 V256 P262S254-N258 PolarHBondContact O-ND2 3.34Å; S254-N258 VanDerWaalsContact O-ND2 3.13Å; K255-N258 PolarHBondContact O-N 3.47Å; V256-N258 VanDerWaalsContact C-N 3.27Å; V256-N258 PolarHBondContact O-N 2.92Å; N258-P262 VanDerWaalsContact O-CD 3.28Å; N258-P262 WeakPolarHBondContact O-CD 3.49Å
259D95.2Very high95Very high45 Ų4535.5 Ų35.524%0.24118%0.184CC..Hα-helixtrans-75.9-33.4177.7-60.9-42.8000112.4R177 V256 A257 P262R177-D259 IonicContact CZ-OD2 3.23Å; R177-D259 VanDerWaalsContact CZ-OD2 3.23Å; R177-D259 IonicContact NH1-OD1 3.8Å; R177-D259 IonicContact NH1-OD2 2.69Å; R177-D259 PolarHBondContact NH1-OD2 2.91Å; R177-D259 IonicContact NH2-OD2 2.88Å; R177-D259 PolarHBondContact NH2-OD2 2.84Å; V256-D259 PolarHBondContact O-N 2.81Å; V256-D259 VanDerWaalsContact O-N 3.11Å; A257-D259 VanDerWaalsContact C-N 3.31Å; A257-D259 PolarHBondContact O-N 3.46Å; D259-P262 WeakPolarHBondContact O-CD 3.27Å; D259-P262 WeakPolarHBondContact O-CG 3.36Å
260L96.7Very high95.4Very high2 Ų239 Ų391%0.0120%0.196CC..Hα-helixtrans-73.6-31179.2-178.757.9000112L29 T105 M120 F165 V229 V256 A257 I263 L264L29-L260 HydrophobicContact CD1-CD2 4.28Å; T105-L260 HydrophobicContact CG2-CD2 4.11Å; M120-L260 HydrophobicContact SD-CB 3.76Å; M120-L260 HydrophobicContact SD-CD1 3.8Å; M120-L260 HydrophobicContact SD-CG 4.34Å; F165-L260 HydrophobicContact CE2-CD1 3.69Å; F165-L260 HydrophobicContact CZ-CD1 3.94Å; V229-L260 HydrophobicContact CG1-CD1 4.08Å; V229-L260 HydrophobicContact CG1-CD2 4.39Å; V256-L260 VanDerWaalsContact O-CB 3.26Å; V256-L260 WeakPolarHBondContact O-CB 3.49Å; V256-L260 PolarHBondContact O-N 3.46Å; A257-L260 PolarHBondContact O-N 3.01Å; L260-I263 WeakPolarHBondContact O-CB 3.42Å; L260-I263 PolarHBondContact O-N 2.81Å; L260-I263 VanDerWaalsContact O-N 3.1Å; L260-L264 HydrophobicContact CD1-CD2 4.09Å; L260-L264 HydrophobicContact CD1-CG 4.02Å; L260-L264 HydrophobicContact CD2-CD1 4.19Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CD2 4.39Å; L260-L264 HydrophobicContact CG-CG 3.87Å; L260-L264 PolarHBondContact O-N 3.44Å
261M95.7Very high95.6Very high14 Ų1440.4 Ų40.47%0.06920%0.203CC..Hα-helixtrans-53.6-53.4-177.2-17168-102.900114.7L29 K32 L64 A257 I263 L264 E265L29-M261 HydrophobicContact CD2-CB 4.07Å; L29-M261 HydrophobicContact CD2-SD 3.86Å; K32-M261 HydrophobicContact CB-CG 3.81Å; K32-M261 HydrophobicContact CB-SD 3.37Å; K32-M261 WeakPolarHBondContact CB-SD 3.46Å; K32-M261 HydrophobicContact CG-CG 3.82Å; K32-M261 HydrophobicContact CG-SD 3.82Å; L64-M261 HydrophobicContact CD1-CE 3.26Å; L64-M261 HydrophobicContact CD2-CE 3.67Å; L64-M261 HydrophobicContact CG-CE 4.06Å; A257-M261 WeakPolarHBondContact O-CB 3.47Å; A257-M261 PolarHBondContact O-N 2.85Å; M261-I263 PolarHBondContact O-N 2.91Å; M261-L264 HydrophobicContact CE-CB 4.15Å; M261-L264 PolarHBondContact O-N 3.2Å; M261-E265 HydrophobicContact CE-CB 4.41Å; M261-E265 PolarHBondContact O-N 3.21Å
262P96Very high95.8Very high58 Ų5837.3 Ų37.338%0.37719%0.188SC..Hα-helixtrans-59.8-32178.123.5-34.9000112.6A172 N258 D259 G266A172-P262 HydrophobicContact CB-CB 4.22Å; A172-P262 HydrophobicContact CB-CG 4.24Å; N258-P262 VanDerWaalsContact O-CD 3.28Å; N258-P262 WeakPolarHBondContact O-CD 3.49Å; D259-P262 WeakPolarHBondContact O-CD 3.27Å; D259-P262 WeakPolarHBondContact O-CG 3.36Å; P262-G266 PolarHBondContact O-N 3.43Å
263I98.1Very high95.9Very high0 Ų037.8 Ų37.80%019%0.19CC..Hα-helixtrans-67.2-50.3176.3-49.9178.4000109.9M120 F165 A168 A169 A172 Q174 L260 M261 E265 G266 V267M120-I263 HydrophobicContact CE-CD1 3.63Å; M120-I263 HydrophobicContact SD-CD1 3.87Å; F165-I263 HydrophobicContact CD2-CG2 3.58Å; F165-I263 HydrophobicContact CE2-CB 4.3Å; F165-I263 HydrophobicContact CE2-CG2 3.43Å; F165-I263 VanDerWaalsContact CE2-CG2 3.43Å; F165-I263 HydrophobicContact CG-CG2 4.24Å; F165-I263 HydrophobicContact CZ-CD1 4.42Å; F165-I263 HydrophobicContact CZ-CG2 3.97Å; A168-I263 HydrophobicContact CB-CG2 3.87Å; A168-I263 WeakPolarHBondContact CB-O 3.2Å; A169-I263 HydrophobicContact CB-CD1 3.89Å; A169-I263 HydrophobicContact CB-CG1 4.36Å; A169-I263 HydrophobicContact CB-CG2 4.18Å; A172-I263 HydrophobicContact CB-CG1 3.91Å; Q174-I263 HydrophobicContact CB-CD1 3.98Å; Q174-I263 HydrophobicContact CG-CD1 4.35Å; L260-I263 WeakPolarHBondContact O-CB 3.42Å; L260-I263 PolarHBondContact O-N 2.81Å; L260-I263 VanDerWaalsContact O-N 3.1Å; M261-I263 PolarHBondContact O-N 2.91Å; I263-E265 VanDerWaalsContact C-N 3.3Å; I263-E265 PolarHBondContact O-N 3.11Å; I263-G266 CarbonylContact O-C 3.36Å; I263-G266 WeakPolarHBondContact O-CA 3.45Å; I263-G266 PolarHBondContact O-N 2.77Å; I263-V267 WeakPolarHBondContact O-CG2 3.26Å; I263-V267 PolarHBondContact O-N 3.01Å
264L97.6Very high96Very high1 Ų139.9 Ų39.91%0.00520%0.201CC..Hα-helixtrans-64.3-34.5179.4-63.2-174.8000112.6L20 L29 I103 T105 F165 L260 M261 V267 C268L20-L264 HydrophobicContact CD1-CD1 4.18Å; L29-L264 HydrophobicContact CD1-CD1 4.02Å; L29-L264 HydrophobicContact CD2-CD1 4.23Å; I103-L264 HydrophobicContact CG2-CD2 3.83Å; T105-L264 HydrophobicContact CG2-CD1 4.26Å; F165-L264 HydrophobicContact CE2-CD2 4.37Å; L260-L264 HydrophobicContact CD1-CD2 4.09Å; L260-L264 HydrophobicContact CD1-CG 4.02Å; L260-L264 HydrophobicContact CD2-CD1 4.19Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CD2 4.39Å; L260-L264 HydrophobicContact CG-CG 3.87Å; L260-L264 PolarHBondContact O-N 3.44Å; M261-L264 HydrophobicContact CE-CB 4.15Å; M261-L264 PolarHBondContact O-N 3.2Å; L264-V267 PolarHBondContact O-N 3.16Å; L264-C268 PolarHBondContact O-N 3.21Å; L264-C268 PolarHBondContact O-SG 3.27Å
265E96.5Very high96.2Very high72 Ų7239.3 Ų39.334%0.33619%0.191SC..Hα-helixtrans-63.1-44.7170.8-164.9-167.3155.200111L64 M261 I263 V267 C268 K269L64-E265 HydrophobicContact CD1-CB 4.16Å; L64-E265 HydrophobicContact CD1-CG 4.1Å; M261-E265 HydrophobicContact CE-CB 4.41Å; M261-E265 PolarHBondContact O-N 3.21Å; I263-E265 VanDerWaalsContact C-N 3.3Å; I263-E265 PolarHBondContact O-N 3.11Å; E265-V267 VanDerWaalsContact C-N 3.34Å; E265-V267 PolarHBondContact O-N 3.16Å; E265-C268 PolarHBondContact O-N 3Å; E265-K269 WeakPolarHBondContact O-CG 3.42Å; E265-K269 PolarHBondContact O-N 3.36Å; E265-K269 WeakPolarHBondContact OE1-CE 3.46Å; E265-K269 IonicContact OE1-NZ 3.79Å; E265-K269 PolarHBondContact OE1-NZ 2.95Å
266G97.5Very high96.4Very high7 Ų734.6 Ų34.67%0.07217%0.172CC..Hα-helixtrans-62.8-36.1175.600000113.7P262 I263 R270P262-G266 PolarHBondContact O-N 3.43Å; I263-G266 CarbonylContact O-C 3.36Å; I263-G266 WeakPolarHBondContact O-CA 3.45Å; I263-G266 PolarHBondContact O-N 2.77Å; G266-R270 WeakPolarHBondContact O-CD 3.44Å; G266-R270 PolarHBondContact O-NH1 3.39Å
267V98.3Very high96.4Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-63.3-52.5171.1171.30000109.8I103 I164 F165 A168 L227 I263 L264 E265 K269 R270 L271I103-V267 HydrophobicContact CD1-CG1 4.19Å; I164-V267 HydrophobicContact CG2-CB 4.14Å; I164-V267 HydrophobicContact CG2-CG1 4.02Å; I164-V267 HydrophobicContact CG2-CG2 4.06Å; F165-V267 HydrophobicContact CB-CG2 4.24Å; F165-V267 HydrophobicContact CD2-CG2 4.1Å; A168-V267 HydrophobicContact CB-CG2 4.2Å; L227-V267 HydrophobicContact CD2-CG1 4.01Å; L227-V267 HydrophobicContact CD2-CG2 4.25Å; I263-V267 WeakPolarHBondContact O-CG2 3.26Å; I263-V267 PolarHBondContact O-N 3.01Å; L264-V267 PolarHBondContact O-N 3.16Å; E265-V267 VanDerWaalsContact C-N 3.34Å; E265-V267 PolarHBondContact O-N 3.16Å; V267-K269 VanDerWaalsContact C-N 3.28Å; V267-K269 PolarHBondContact O-N 3.25Å; V267-R270 PolarHBondContact O-N 3.24Å; V267-L271 HydrophobicContact CG1-CD1 4.44Å; V267-L271 PolarHBondContact O-N 2.9Å
268C97Very high96.5Very high1 Ų139.4 Ų39.41%0.00720%0.196CC..Hα-helixtrans-60.6-36.6-177.8-69.40000112.4L64 K67 L264 E265 R270 L271L64-C268 HydrophobicContact CG-CB 4.41Å; L64-C268 WeakPolarHBondContact O-CB 3.33Å; K67-C268 HydrophobicContact CG-CB 4.4Å; K67-C268 WeakPolarHBondContact CG-O 3.45Å; L264-C268 PolarHBondContact O-N 3.21Å; L264-C268 PolarHBondContact O-SG 3.27Å; E265-C268 PolarHBondContact O-N 3Å; C268-R270 PolarHBondContact O-N 2.68Å; C268-L271 PolarHBondContact O-N 3.05Å
269K96.7Very high96.7Very high116 Ų11635.8 Ų35.850%0.50418%0.176SC..Hα-helixtrans-58.6-26.6175.6-76.6171.8-176.8163.50113.8G65 E265 V267G65-K269 WeakPolarHBondContact O-CA 3.28Å; G65-K269 WeakPolarHBondContact O-CG 3.49Å; E265-K269 WeakPolarHBondContact O-CG 3.42Å; E265-K269 PolarHBondContact O-N 3.36Å; E265-K269 WeakPolarHBondContact OE1-CE 3.46Å; E265-K269 IonicContact OE1-NZ 3.79Å; E265-K269 PolarHBondContact OE1-NZ 2.95Å; V267-K269 VanDerWaalsContact C-N 3.28Å; V267-K269 PolarHBondContact O-N 3.25Å
270R97Very high96.8Very high84 Ų8435.1 Ų35.132%0.31717%0.17SC..Hα-helixtrans-96-12.1-176.8-69.1166165.677.56114.2I164 E167 E171 G266 V267 C268I164-R270 HydrophobicContact CD1-CB 4.45Å; I164-R270 HydrophobicContact CG2-CB 4.01Å; I164-R270 HydrophobicContact CG2-CG 4.49Å; E167-R270 IonicContact OE2-NE 3.3Å; E171-R270 IonicContact OE1-CZ 2.64Å; E171-R270 IonicContact OE1-NH2 3.75Å; E171-R270 PolarHBondContact OE1-NH2 3.22Å; E171-R270 IonicContact OE2-CZ 3.61Å; E171-R270 VanDerWaalsContact OE2-CZ 3.3Å; E171-R270 IonicContact OE2-NH1 3.63Å; E171-R270 PolarHBondContact OE2-NH1 3.45Å; E171-R270 IonicContact OE2-NH2 2.88Å; E171-R270 PolarHBondContact OE2-NH2 3.21Å; G266-R270 WeakPolarHBondContact O-CD 3.44Å; G266-R270 PolarHBondContact O-NH1 3.39Å; V267-R270 PolarHBondContact O-N 3.24Å; C268-R270 PolarHBondContact O-N 2.68Å
271L94.7Very high96.8Very high66 Ų6638.1 Ų38.135%0.34619%0.185SC..  trans-76.20168.1-58.1-179.2000110V18 K67 T101 L161 V267 C268V18-L271 HydrophobicContact CG2-CD1 3.65Å; K67-L271 VanDerWaalsContact CE-C 3.42Å; K67-L271 WeakPolarHBondContact CE-OXT 3.27Å; K67-L271 PolarHBondContact NZ-O 2.73Å; K67-L271 PolarHBondContact NZ-OXT 2.96Å; T101-L271 HydrophobicContact CG2-CD1 3.89Å; L161-L271 HydrophobicContact CD2-CD2 3.54Å; V267-L271 HydrophobicContact CG1-CD1 4.44Å; V267-L271 PolarHBondContact O-N 2.9Å; C268-L271 PolarHBondContact O-N 3.05Å

Retrieved 271 of 271 residues in 523.4 ms (Link to these results)

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