A0A060WBW5_ONCMY Loading...

Spermidine synthase

Catalyzes the production of spermidine from putrescine and decarboxylated S-adenosylmethionine (dcSAM). Has a strong preference for putrescine as substrate, and has very low activity towards 1,3-diaminopropane. Has extremely low activity towards spermidine.

AlphaFold DB , UniProt , Accession A0A060WBW5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene srm, Length 302 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
1M45.9Very low88.5Confident227 Ų22782.6 Ų82.6100%1.11843%0.43SS*.  0135.80-76.8178.9-142.100106.2S3M1-S3 PolarHBondContact O-N 3.38Å
2D70.3Confident89.1Confident118 Ų11884 Ų8463%0.63144%0.444SS*.  trans-58.6111.5174.3-122.6-22.4000108.4I4 K5D2-I4 PolarHBondContact O-N 2.84Å; D2-K5 WeakPolarHBondContact O-CE 3.31Å
3S82.8Confident89.6Confident39 Ų3979.9 Ų79.927%0.27343%0.426SS..SBendtrans-72.5-16.6-178.651.40000111.9M1 F9 T10M1-S3 PolarHBondContact O-N 3.38Å; S3-F9 WeakPolarHBondContact O-CA 3.46Å; S3-T10 PolarHBondContact O-N 3.34Å
4I93.8Very high90Very high33 Ų3383.4 Ų83.417%0.16945%0.452CS..EExtended strand (participates in β ladder)trans-106.1120.2173.3-58.9172.9000108.8D2 W8 F9 V25 V28 M40D2-I4 PolarHBondContact O-N 2.84Å; I4-W8 VanDerWaalsContact CA-O 3.32Å; I4-W8 WeakPolarHBondContact CA-O 3.18Å; I4-F9 HydrophobicContact CG1-CB 4.15Å; I4-F9 HydrophobicContact CG1-CD2 4.32Å; I4-V25 HydrophobicContact CD1-CG1 4.38Å; I4-V25 HydrophobicContact CD1-CG2 4.03Å; I4-V25 HydrophobicContact CG1-CG2 4.11Å; I4-V25 HydrophobicContact CG2-CG2 4.05Å; I4-V28 HydrophobicContact CD1-CG2 3.48Å; I4-V28 VanDerWaalsContact CD1-CG2 3.48Å; I4-M40 HydrophobicContact CD1-SD 4Å
5K95.6Very high90.3Very high130 Ų13081.3 Ų81.357%0.56544%0.44SS*.EExtended strand (participates in β ladder)trans-134.3135.1176.4-68.5-179.6-178.2175.10109.8D2 G7 W8D2-K5 WeakPolarHBondContact O-CE 3.31Å; K5-G7 PolarHBondContact O-N 2.82Å; K5-W8 PolarHBondContact N-O 3.12Å; K5-W8 PolarHBondContact O-N 3.21Å
6D95.3Very high90.7Very high162 Ų16276.4 Ų76.487%0.86641%0.413SS*.THydrogen-bonded Turntrans50.933.3-179.7-56-42.5000113.8W8D6-W8 VanDerWaalsContact O-CD1 3.31Å
7G97Very high91.1Very high34 Ų3477.9 Ų77.935%0.35143%0.428SS..THydrogen-bonded Turntrans79.113.4-178.500000115.2K5 V25K5-G7 PolarHBondContact O-N 2.82Å; G7-V25 PolarHBondContact O-N 3.09Å
8W98.4Very high91.5Very high113 Ų11378.9 Ų78.943%0.42846%0.459SS..EExtended strand (participates in β ladder)trans-120.5127.5176.9-67.283000111.1I4 K5 D6 Q24I4-W8 VanDerWaalsContact CA-O 3.32Å; I4-W8 WeakPolarHBondContact CA-O 3.18Å; K5-W8 PolarHBondContact N-O 3.12Å; K5-W8 PolarHBondContact O-N 3.21Å; D6-W8 VanDerWaalsContact O-CD1 3.31Å; W8-Q24 HydrophobicContact CD2-CB 3.94Å; W8-Q24 HydrophobicContact CD2-CG 4.15Å; W8-Q24 HydrophobicContact CE3-CB 3.82Å; W8-Q24 VanDerWaalsContact CE3-N 3.3Å; W8-Q24 HydrophobicContact CH2-CB 3.82Å; W8-Q24 HydrophobicContact CH2-CG 4.43Å; W8-Q24 HydrophobicContact CZ2-CB 3.91Å; W8-Q24 HydrophobicContact CZ2-CG 4.01Å; W8-Q24 HydrophobicContact CZ3-CB 3.77Å
9F98.5Very high91.8Very high0 Ų078.8 Ų78.80%045%0.454CS..EExtended strand (participates in β ladder)trans-79.5133.4163.1170.9-100.5000108.2S3 I4 E11 S22 L23 V25 M40 F42 V52 I57S3-F9 WeakPolarHBondContact O-CA 3.46Å; I4-F9 HydrophobicContact CG1-CB 4.15Å; I4-F9 HydrophobicContact CG1-CD2 4.32Å; F9-E11 HydrophobicContact CE1-CB 3.97Å; F9-E11 HydrophobicContact CZ-CB 4.38Å; F9-S22 CarbonylContact O-C 3.48Å; F9-S22 WeakPolarHBondContact O-CA 3.37Å; F9-L23 PolarHBondContact N-O 2.84Å; F9-L23 PolarHBondContact O-N 2.8Å; F9-V25 HydrophobicContact CB-CG2 3.82Å; F9-M40 HydrophobicContact CD2-CE 3.41Å; F9-M40 VanDerWaalsContact CD2-CE 3.41Å; F9-M40 HydrophobicContact CE2-CE 3.39Å; F9-M40 HydrophobicContact CG-CE 4.22Å; F9-M40 HydrophobicContact CZ-CE 4.23Å; F9-F42 HydrophobicContact CB-CE1 3.96Å; F9-F42 HydrophobicContact CB-CE2 4.36Å; F9-F42 HydrophobicContact CB-CZ 3.76Å; F9-F42 AromaticContact CD1-CE1 3.91Å; F9-F42 HydrophobicContact CD1-CE1 3.91Å; F9-F42 AromaticContact CD1-CZ 3.88Å; F9-F42 HydrophobicContact CD1-CZ 3.88Å; F9-F42 HydrophobicContact CD2-CE1 4.36Å; F9-F42 AromaticContact CG-CE1 3.79Å; F9-F42 HydrophobicContact CG-CE1 3.79Å; F9-F42 AromaticContact CG-CZ 3.93Å; F9-F42 HydrophobicContact CG-CZ 3.93Å; F9-V52 HydrophobicContact CE1-CG1 4.47Å; F9-V52 HydrophobicContact CE1-CG2 3.98Å; F9-V52 HydrophobicContact CE2-CG1 3.94Å; F9-V52 HydrophobicContact CE2-CG2 4.27Å; F9-V52 HydrophobicContact CZ-CB 4.34Å; F9-V52 HydrophobicContact CZ-CG1 3.57Å; F9-V52 HydrophobicContact CZ-CG2 3.8Å; F9-I57 HydrophobicContact CD1-CD1 4.45Å; F9-I57 HydrophobicContact CD1-CG1 4.46Å; F9-I57 HydrophobicContact CE1-CD1 4Å; F9-I57 HydrophobicContact CE1-CG1 3.66Å; F9-I57 HydrophobicContact CZ-CG1 4.49Å
10T98.2Very high92.1Very high52 Ų5277.8 Ų77.832%0.31946%0.455SS..EExtended strand (participates in β ladder)trans-124.4118.3176-57.50000110.4S3 T12 A20 M21 S22S3-T10 PolarHBondContact O-N 3.34Å; T10-T12 HydrophobicContact CG2-CG2 4.1Å; T10-A20 HydrophobicContact CG2-CB 3.72Å; T10-M21 WeakPolarHBondContact CA-O 3.33Å; T10-S22 WeakPolarHBondContact CG2-OG 3.42Å; T10-S22 PolarHBondContact OG1-OG 3.18Å
11E97.9Very high92.4Very high1 Ų176.1 Ų76.11%0.00544%0.444CS..EExtended strand (participates in β ladder)trans-79.4124.3173.8177.5-177.1-111.400110.2F9 W16 A20 M21 V56 I57F9-E11 HydrophobicContact CE1-CB 3.97Å; F9-E11 HydrophobicContact CZ-CB 4.38Å; E11-W16 HydrophobicContact CG-CZ2 3.75Å; E11-A20 WeakPolarHBondContact O-CA 3.19Å; E11-A20 VanDerWaalsContact O-CB 3.28Å; E11-A20 WeakPolarHBondContact O-CB 3.45Å; E11-M21 PolarHBondContact N-O 3.26Å; E11-M21 PolarHBondContact O-N 3.15Å; E11-V56 WeakPolarHBondContact OE1-CA 3.32Å; E11-V56 WeakPolarHBondContact OE1-CG1 3.32Å; E11-I57 HydrophobicContact CB-CD1 4.29Å; E11-I57 HydrophobicContact CB-CG1 4.4Å; E11-I57 PolarHBondContact OE1-N 3.47Å
12T96.1Very high94.9Very high99 Ų9967.8 Ų67.861%0.60741%0.408SS*.  trans-137134.4173.959.50000109.6T10 A20T10-T12 HydrophobicContact CG2-CG2 4.1Å; T12-A20 HydrophobicContact CG2-CB 3.99Å
13C94.9Very high96.2Very high31 Ų3162.4 Ų62.421%0.20938%0.379CS..  trans-143.6154173.8-173.30000110.6L15 W16C13-L15 PolarHBondContact O-N 3.47Å; C13-W16 HydrophobicContact CB-CD2 3.71Å; C13-W16 HydrophobicContact CB-CE3 3.96Å; C13-W16 HydrophobicContact CB-CG 4.5Å; C13-W16 HydrophobicContact CB-CH2 3.45Å; C13-W16 VanDerWaalsContact CB-CH2 3.45Å; C13-W16 HydrophobicContact CB-CZ2 3.17Å; C13-W16 HydrophobicContact CB-CZ3 3.83Å; C13-W16 CarbonylContact O-C 3.56Å; C13-W16 PolarHBondContact O-N 2.97Å
14T95.2Very high97Very high128 Ų12864.4 Ų64.479%0.78538%0.384SS*.THydrogen-bonded Turntrans-67.7-16.7174.449.10000113.3
15L94.3Very high97.2Very high52 Ų5263.9 Ų63.927%0.27238%0.382SS..THydrogen-bonded Turntrans-73.2-26.3176.3-64.8179.4000112.8C13 P17 D164 P165 V166 H201C13-L15 PolarHBondContact O-N 3.47Å; L15-P17 WeakPolarHBondContact O-CD 3.41Å; L15-D164 HydrophobicContact CD1-CB 3.58Å; L15-P165 HydrophobicContact CD1-CG 4.43Å; L15-V166 HydrophobicContact CD1-CG2 3.65Å; L15-V166 HydrophobicContact CG-CG2 4.25Å; L15-H201 PolarHBondContact O-NE2 2.78Å
16W97.3Very high97.4Very high3 Ų362.3 Ų62.31%0.01138%0.377CS..SBendtrans-124.867.3174.249.789.1000111.5E11 C13 Q19 V56 D164 L200 P230E11-W16 HydrophobicContact CG-CZ2 3.75Å; C13-W16 HydrophobicContact CB-CD2 3.71Å; C13-W16 HydrophobicContact CB-CE3 3.96Å; C13-W16 HydrophobicContact CB-CG 4.5Å; C13-W16 HydrophobicContact CB-CH2 3.45Å; C13-W16 VanDerWaalsContact CB-CH2 3.45Å; C13-W16 HydrophobicContact CB-CZ2 3.17Å; C13-W16 HydrophobicContact CB-CZ3 3.83Å; C13-W16 CarbonylContact O-C 3.56Å; C13-W16 PolarHBondContact O-N 2.97Å; W16-Q19 HydrophobicContact CB-CG 3.8Å; W16-Q19 HydrophobicContact CG-CG 4.29Å; W16-Q19 VanDerWaalsContact O-CG 3.3Å; W16-Q19 WeakPolarHBondContact O-CG 3.39Å; W16-V56 HydrophobicContact CH2-CG1 3.91Å; W16-V56 HydrophobicContact CH2-CG2 3.9Å; W16-V56 HydrophobicContact CZ2-CG1 4.42Å; W16-V56 HydrophobicContact CZ2-CG2 4.23Å; W16-D164 VanDerWaalsContact CH2-OD2 3.26Å; W16-D164 WeakPolarHBondContact CH2-OD2 3.44Å; W16-D164 WeakPolarHBondContact CZ3-OD2 3.3Å; W16-L200 HydrophobicContact CB-CD1 3.99Å; W16-L200 HydrophobicContact CB-CD2 4.4Å; W16-P230 HydrophobicContact CB-CB 4.46Å; W16-P230 HydrophobicContact CD2-CB 3.83Å; W16-P230 HydrophobicContact CD2-CG 3.64Å; W16-P230 HydrophobicContact CE3-CB 3.93Å; W16-P230 HydrophobicContact CE3-CG 3.61Å; W16-P230 HydrophobicContact CG-CB 4.11Å; W16-P230 HydrophobicContact CG-CG 4.37Å; W16-P230 HydrophobicContact CH2-CG 3.72Å; W16-P230 HydrophobicContact CZ2-CG 3.72Å; W16-P230 HydrophobicContact CZ3-CB 4.44Å; W16-P230 HydrophobicContact CZ3-CG 3.66Å
17P97.4Very high97.5Very high103 Ų10359.2 Ų59.267%0.66936%0.357SS*.THydrogen-bonded Turntrans-65.2141.5-172.929.2-35.4000111.7L15 Q19L15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-Q19 VanDerWaalsContact C-N 3.28Å; P17-Q19 PolarHBondContact O-N 3.45Å
18G97.8Very high97.6Very high95 Ų9560.6 Ų60.698%0.97936%0.359SS*.THydrogen-bonded Turntrans79.92.5175.400000115.2
19Q98.1Very high97.6Very high78 Ų7856.4 Ų56.436%0.36434%0.344SS..  trans-129.7155.5171.962.2179.968.100111.2W16 P17 S231W16-Q19 HydrophobicContact CB-CG 3.8Å; W16-Q19 HydrophobicContact CG-CG 4.29Å; W16-Q19 VanDerWaalsContact O-CG 3.3Å; W16-Q19 WeakPolarHBondContact O-CG 3.39Å; P17-Q19 VanDerWaalsContact C-N 3.28Å; P17-Q19 PolarHBondContact O-N 3.45Å; Q19-S231 PolarHBondContact NE2-OG 3.2Å
20A97.9Very high97.6Very high58 Ų5858.3 Ų58.348%0.47935%0.352SS..  trans-152.9147.4178.100000109.8T10 E11 T12T10-A20 HydrophobicContact CG2-CB 3.72Å; E11-A20 WeakPolarHBondContact O-CA 3.19Å; E11-A20 VanDerWaalsContact O-CB 3.28Å; E11-A20 WeakPolarHBondContact O-CB 3.45Å; T12-A20 HydrophobicContact CG2-CB 3.99Å
21M97.6Very high97.5Very high43 Ų4360.9 Ų60.921%0.21236%0.36CS..EExtended strand (participates in β ladder)trans-107.2135169.1-179.9158.3-179.400109.5T10 E11 L23 P227 T228T10-M21 WeakPolarHBondContact CA-O 3.33Å; E11-M21 PolarHBondContact N-O 3.26Å; E11-M21 PolarHBondContact O-N 3.15Å; M21-L23 HydrophobicContact CE-CD2 3.83Å; M21-L23 HydrophobicContact CE-CG 4.37Å; M21-P227 VanDerWaalsContact SD-O 3.38Å; M21-T228 HydrophobicContact CE-CG2 3.69Å; M21-T228 VanDerWaalsContact SD-CA 3.58Å
22S98.4Very high97.5Very high52 Ų5266.4 Ų66.436%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-118.8132.9176.6-55.50000111.4F9 T10F9-S22 CarbonylContact O-C 3.48Å; F9-S22 WeakPolarHBondContact O-CA 3.37Å; T10-S22 WeakPolarHBondContact CG2-OG 3.42Å; T10-S22 PolarHBondContact OG1-OG 3.18Å
23L98.8Very high97.5Very high5 Ų568.8 Ų68.83%0.02639%0.388CS..EExtended strand (participates in β ladder)trans-117129173.3-68.7179.9000109.5F9 M21 V25 F42 Y47 V50 I57 T60 T228F9-L23 PolarHBondContact N-O 2.84Å; F9-L23 PolarHBondContact O-N 2.8Å; M21-L23 HydrophobicContact CE-CD2 3.83Å; M21-L23 HydrophobicContact CE-CG 4.37Å; L23-V25 PolarHBondContact O-N 2.84Å; L23-F42 HydrophobicContact CB-CE2 4.24Å; L23-F42 HydrophobicContact CB-CZ 4.15Å; L23-F42 HydrophobicContact CD1-CZ 4.4Å; L23-Y47 HydrophobicContact CD2-CD2 3.55Å; L23-Y47 HydrophobicContact CD2-CE2 3.71Å; L23-Y47 HydrophobicContact CD2-CG 4.09Å; L23-V50 HydrophobicContact CD1-CG1 4.32Å; L23-V50 HydrophobicContact CD1-CG2 4.02Å; L23-I57 HydrophobicContact CD1-CD1 3.93Å; L23-I57 HydrophobicContact CG-CD1 4.46Å; L23-T60 HydrophobicContact CD1-CG2 4.23Å; L23-T228 HydrophobicContact CD1-CG2 4.48Å
24Q98.7Very high97.5Very high81 Ų8168 Ų6838%0.37938%0.382SS..EExtended strand (participates in β ladder)trans-69.8126.7176.9-164.2176.921.600109.6W8 S44 K45W8-Q24 HydrophobicContact CD2-CB 3.94Å; W8-Q24 HydrophobicContact CD2-CG 4.15Å; W8-Q24 HydrophobicContact CE3-CB 3.82Å; W8-Q24 VanDerWaalsContact CE3-N 3.3Å; W8-Q24 HydrophobicContact CH2-CB 3.82Å; W8-Q24 HydrophobicContact CH2-CG 4.43Å; W8-Q24 HydrophobicContact CZ2-CB 3.91Å; W8-Q24 HydrophobicContact CZ2-CG 4.01Å; W8-Q24 HydrophobicContact CZ3-CB 3.77Å; Q24-S44 CarbonylContact O-C 3.5Å; Q24-S44 VanDerWaalsContact O-CA 3.27Å; Q24-S44 WeakPolarHBondContact O-CA 3.35Å; Q24-K45 HydrophobicContact CB-CB 4.27Å; Q24-K45 HydrophobicContact CB-CG 4.11Å; Q24-K45 HydrophobicContact CG-CG 3.94Å; Q24-K45 PolarHBondContact O-N 3.45Å
25V98.8Very high97.5Very high21 Ų2169.7 Ų69.713%0.12738%0.379CS..EExtended strand (participates in β ladder)trans-85.4130.8-178.5-177.50000109.3I4 G7 F9 L23 V28 F42I4-V25 HydrophobicContact CD1-CG1 4.38Å; I4-V25 HydrophobicContact CD1-CG2 4.03Å; I4-V25 HydrophobicContact CG1-CG2 4.11Å; I4-V25 HydrophobicContact CG2-CG2 4.05Å; G7-V25 PolarHBondContact O-N 3.09Å; F9-V25 HydrophobicContact CB-CG2 3.82Å; L23-V25 PolarHBondContact O-N 2.84Å; V25-V28 HydrophobicContact CG1-CG2 4.21Å; V25-F42 HydrophobicContact CB-CD2 4.25Å; V25-F42 HydrophobicContact CG1-CB 4.16Å; V25-F42 HydrophobicContact CG1-CD2 4.04Å; V25-F42 HydrophobicContact CG1-CG 4.37Å; V25-F42 HydrophobicContact CG2-CD2 3.8Å; V25-F42 HydrophobicContact CG2-CE2 3.95Å; V25-F42 HydrophobicContact CG2-CG 4.34Å
26E98.6Very high97.4Very high98 Ų9871.5 Ų71.546%0.45839%0.385SS..EExtended strand (participates in β ladder)trans-92-48167.3171.7154.6-114.100111.7R43 K45E26-R43 WeakPolarHBondContact CA-O 3.49Å; E26-R43 HydrophobicContact CB-CB 4.37Å; E26-R43 HydrophobicContact CB-CG 4.32Å; E26-R43 WeakPolarHBondContact CB-O 3.42Å; E26-R43 PolarHBondContact N-O 2.88Å; E26-R43 VanDerWaalsContact OE2-CD 3.25Å; E26-R43 WeakPolarHBondContact OE2-CD 3.43Å; E26-K45 HydrophobicContact CB-CD 3.98Å; E26-K45 HydrophobicContact CB-CG 4.31Å; E26-K45 HydrophobicContact CG-CD 4.49Å; E26-K45 IonicContact OE1-NZ 3.4Å; E26-K45 PolarHBondContact OE1-NZ 3.3Å
27E98.3Very high97.2Very high96 Ų9671.9 Ų71.945%0.44939%0.387SS..EExtended strand (participates in β ladder)trans-154.5134.2-177-177.1-177.3-166.400109.9L29 F42 R43E27-L29 HydrophobicContact CB-CD2 4.36Å; E27-L29 HydrophobicContact CG-CD2 3.95Å; E27-L29 PolarHBondContact O-N 2.73Å; E27-L29 WeakPolarHBondContact OE2-CD2 3.35Å; E27-F42 CarbonylContact O-C 3.56Å; E27-F42 VanDerWaalsContact O-CA 3.26Å; E27-F42 WeakPolarHBondContact O-CA 3.42Å; E27-F42 WeakPolarHBondContact O-CB 3.32Å; E27-R43 HydrophobicContact CB-CB 4.37Å; E27-R43 PolarHBondContact N-O 3.47Å; E27-R43 PolarHBondContact O-N 3.31Å; E27-R43 IonicContact OE2-CZ 3.56Å; E27-R43 IonicContact OE2-NH1 2.83Å; E27-R43 PolarHBondContact OE2-NH1 2.94Å
28V98.3Very high97.1Very high64 Ų6470.7 Ų70.739%0.38838%0.375SS..EExtended strand (participates in β ladder)trans-81.4116.8168.3-178.90000108.3I4 V25 Q31I4-V28 HydrophobicContact CD1-CG2 3.48Å; I4-V28 VanDerWaalsContact CD1-CG2 3.48Å; V25-V28 HydrophobicContact CG1-CG2 4.21Å; V28-Q31 HydrophobicContact CG1-CB 4.26Å
29L98.5Very high97.1Very high25 Ų2566.3 Ų66.313%0.13133%0.329CS..EExtended strand (participates in β ladder)trans-92.6-31-174-60.1176.8000112.4E27 V41 R43 N49 Y124E27-L29 HydrophobicContact CB-CD2 4.36Å; E27-L29 HydrophobicContact CG-CD2 3.95Å; E27-L29 PolarHBondContact O-N 2.73Å; E27-L29 WeakPolarHBondContact OE2-CD2 3.35Å; L29-V41 WeakPolarHBondContact CA-O 3.22Å; L29-V41 HydrophobicContact CB-CG1 4.35Å; L29-V41 WeakPolarHBondContact CB-O 3.46Å; L29-V41 HydrophobicContact CD1-CG1 4.14Å; L29-V41 PolarHBondContact N-O 2.8Å; L29-R43 HydrophobicContact CD1-CB 4.16Å; L29-R43 HydrophobicContact CG-CB 4.4Å; L29-N49 HydrophobicContact CD1-CB 4.47Å; L29-N49 WeakPolarHBondContact CD1-OD1 3.3Å; L29-Y124 HydrophobicContact CB-CD1 3.88Å; L29-Y124 HydrophobicContact CB-CE1 3.77Å; L29-Y124 HydrophobicContact CD1-CD1 4.03Å; L29-Y124 HydrophobicContact CG-CD1 4.49Å; L29-Y124 PolarHBondContact O-OH 3.32Å
30Y98.3Very high97.1Very high39 Ų3963 Ų6315%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-159.8140.6-179.4-176.6-94.8000110.2Q32 V39 M40 V41 V120 Y124Y30-Q32 HydrophobicContact CE1-CB 3.94Å; Y30-Q32 HydrophobicContact CE1-CG 4.26Å; Y30-Q32 HydrophobicContact CE2-CB 4.48Å; Y30-Q32 HydrophobicContact CE2-CG 4.02Å; Y30-Q32 PolarHBondContact OH-OE1 2.95Å; Y30-V39 HydrophobicContact CD1-CG1 4.19Å; Y30-V39 HydrophobicContact CE1-CB 4.08Å; Y30-V39 HydrophobicContact CE1-CG1 3.92Å; Y30-M40 CarbonylContact O-C 3.56Å; Y30-M40 WeakPolarHBondContact O-CA 3.22Å; Y30-V41 PolarHBondContact N-O 3.2Å; Y30-V41 PolarHBondContact O-N 2.78Å; Y30-V41 VanDerWaalsContact O-O 3.12Å; Y30-V120 HydrophobicContact CD1-CG1 4.17Å; Y30-V120 HydrophobicContact CD1-CG2 3.78Å; Y30-V120 HydrophobicContact CD2-CG2 4.25Å; Y30-V120 HydrophobicContact CE1-CG2 3.5Å; Y30-V120 VanDerWaalsContact CE1-CG2 3.5Å; Y30-V120 HydrophobicContact CE2-CG2 3.99Å; Y30-V120 HydrophobicContact CG-CG1 4.46Å; Y30-V120 HydrophobicContact CG-CG2 4.13Å; Y30-Y124 HydrophobicContact CD2-CE2 4.28Å; Y30-Y124 HydrophobicContact CG-CE2 4.28Å
31Q97.1Very high97.1Very high106 Ų10660.2 Ų60.250%0.49529%0.291SS..EExtended strand (participates in β ladder)trans-156.4109.2170-173.5174.64.100109.7V28 V39 M40V28-Q31 HydrophobicContact CG1-CB 4.26Å; Q31-V39 WeakPolarHBondContact CA-O 3.02Å; Q31-M40 HydrophobicContact CB-CG 4.27Å; Q31-M40 HydrophobicContact CG-CB 4.28Å; Q31-M40 HydrophobicContact CG-CG 4.23Å
32Q96.7Very high97.2Very high117 Ų11758.1 Ų58.155%0.54728%0.281SS..EExtended strand (participates in β ladder)trans-150.3154.7176.6-62.8-169.1-7.700110.6Y30 V39Y30-Q32 HydrophobicContact CE1-CB 3.94Å; Y30-Q32 HydrophobicContact CE1-CG 4.26Å; Y30-Q32 HydrophobicContact CE2-CB 4.48Å; Y30-Q32 HydrophobicContact CE2-CG 4.02Å; Y30-Q32 PolarHBondContact OH-OE1 2.95Å; Q32-V39 PolarHBondContact N-O 3.2Å; Q32-V39 WeakPolarHBondContact O-CA 3.4Å; Q32-V39 PolarHBondContact O-N 2.87Å; Q32-V39 VanDerWaalsContact O-O 3.05Å
33K96.6Very high97.2Very high150 Ų15059.7 Ų59.765%0.65228%0.279SS*.EExtended strand (participates in β ladder)trans-88.7121.1170.3-172.5166.6-167.5149.40109.8D38K33-D38 VanDerWaalsContact CB-OD1 3.3Å; K33-D38 WeakPolarHBondContact CB-OD1 3.45Å; K33-D38 VanDerWaalsContact CD-OD1 3.24Å; K33-D38 WeakPolarHBondContact CD-OD1 3.44Å; K33-D38 WeakPolarHBondContact CG-OD1 3.47Å; K33-D38 IonicContact NZ-OD1 3.62Å
34S95.5Very high97.2Very high13 Ų1359.6 Ų59.69%0.09128%0.278CS..  trans-79.1-171.8172.680.20000110.6F36 Q37 D114 D116S34-F36 PolarHBondContact O-N 3.02Å; S34-F36 PolarHBondContact OG-N 3Å; S34-Q37 PolarHBondContact N-O 2.84Å; S34-Q37 PolarHBondContact OG-N 2.79Å; S34-Q37 VanDerWaalsContact OG-N 3.12Å; S34-Q37 PolarHBondContact OG-O 2.8Å; S34-D114 WeakPolarHBondContact CB-OD2 3.35Å; S34-D114 PolarHBondContact OG-OD2 3.5Å; S34-D116 WeakPolarHBondContact CB-OD2 3.42Å
35K94.4Very high97.2Very high165 Ų16560.6 Ų60.672%0.71728%0.281SS*.SBendtrans-64.8-20.9170.5-67.9172.1-172148.20113E115K35-E115 IonicContact NZ-OE1 3.29Å; K35-E115 PolarHBondContact NZ-OE1 3.16Å
36F92.7Very high97.2Very high89 Ų8963.8 Ų63.839%0.3930%0.301SS..SBendtrans-114-39.9-169.4-59.7-80.1000113S34 I113 D114S34-F36 PolarHBondContact O-N 3.02Å; S34-F36 PolarHBondContact OG-N 3Å; F36-I113 HydrophobicContact CD1-CD1 3.96Å; F36-I113 HydrophobicContact CD1-CG1 4.05Å; F36-I113 HydrophobicContact CE1-CD1 3.72Å; F36-I113 HydrophobicContact CE1-CG1 3.62Å; F36-I113 HydrophobicContact CE2-CG1 4.33Å; F36-I113 WeakPolarHBondContact CE2-O 3.3Å; F36-I113 HydrophobicContact CZ-CD1 4.38Å; F36-I113 HydrophobicContact CZ-CG1 3.77Å; F36-I113 WeakPolarHBondContact CZ-O 3.4Å; F36-D114 HydrophobicContact CD2-CB 3.86Å
37Q93.1Very high97.2Very high11 Ų1161.2 Ų61.25%0.05129%0.287CS..SBendtrans-156.3164.2-166.662.3-156.8-40.800112.7S34 V39 L53 D54 D114S34-Q37 PolarHBondContact N-O 2.84Å; S34-Q37 PolarHBondContact OG-N 2.79Å; S34-Q37 VanDerWaalsContact OG-N 3.12Å; S34-Q37 PolarHBondContact OG-O 2.8Å; Q37-V39 HydrophobicContact CG-CG2 3.98Å; Q37-L53 HydrophobicContact CG-CD2 4.24Å; Q37-D54 WeakPolarHBondContact CA-OD1 3.34Å; Q37-D54 WeakPolarHBondContact CB-OD1 3.28Å; Q37-D54 WeakPolarHBondContact CB-OD2 3.35Å; Q37-D114 PolarHBondContact NE2-OD2 3.22Å
38D95.8Very high97.3Very high79 Ų7957.8 Ų57.842%0.42228%0.278SS..EExtended strand (participates in β ladder)trans-77.4117.1168.9-70.2-37.9000109.6K33 L53 D54K33-D38 VanDerWaalsContact CB-OD1 3.3Å; K33-D38 WeakPolarHBondContact CB-OD1 3.45Å; K33-D38 VanDerWaalsContact CD-OD1 3.24Å; K33-D38 WeakPolarHBondContact CD-OD1 3.44Å; K33-D38 WeakPolarHBondContact CG-OD1 3.47Å; K33-D38 IonicContact NZ-OD1 3.62Å; D38-L53 CarbonylContact O-C 3.51Å; D38-L53 WeakPolarHBondContact O-CA 3.48Å; D38-D54 PolarHBondContact N-OD1 3.25Å; D38-D54 PolarHBondContact O-N 2.85Å
39V97.3Very high97.3Very high2 Ų255.4 Ų55.41%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-107.3121.4-177.8-175.50000109.8Y30 Q31 Q32 Q37 L51 L53 V117 V120Y30-V39 HydrophobicContact CD1-CG1 4.19Å; Y30-V39 HydrophobicContact CE1-CB 4.08Å; Y30-V39 HydrophobicContact CE1-CG1 3.92Å; Q31-V39 WeakPolarHBondContact CA-O 3.02Å; Q32-V39 PolarHBondContact N-O 3.2Å; Q32-V39 WeakPolarHBondContact O-CA 3.4Å; Q32-V39 PolarHBondContact O-N 2.87Å; Q32-V39 VanDerWaalsContact O-O 3.05Å; Q37-V39 HydrophobicContact CG-CG2 3.98Å; V39-L51 HydrophobicContact CG1-CD1 4.31Å; V39-L53 HydrophobicContact CB-CD2 4.13Å; V39-L53 HydrophobicContact CG1-CD2 3.92Å; V39-L53 HydrophobicContact CG2-CD2 3.81Å; V39-V117 HydrophobicContact CG2-CG2 4.25Å; V39-V120 HydrophobicContact CG1-CG1 4.35Å; V39-V120 HydrophobicContact CG1-CG2 4.42Å
40M98Very high97.3Very high8 Ų854.2 Ų54.24%0.03926%0.256CS..EExtended strand (participates in β ladder)trans-129.6137.4175.9-177.2-17866.100110.9I4 F9 Y30 Q31 F42 V52I4-M40 HydrophobicContact CD1-SD 4Å; F9-M40 HydrophobicContact CD2-CE 3.41Å; F9-M40 VanDerWaalsContact CD2-CE 3.41Å; F9-M40 HydrophobicContact CE2-CE 3.39Å; F9-M40 HydrophobicContact CG-CE 4.22Å; F9-M40 HydrophobicContact CZ-CE 4.23Å; Y30-M40 CarbonylContact O-C 3.56Å; Y30-M40 WeakPolarHBondContact O-CA 3.22Å; Q31-M40 HydrophobicContact CB-CG 4.27Å; Q31-M40 HydrophobicContact CG-CB 4.28Å; Q31-M40 HydrophobicContact CG-CG 4.23Å; M40-F42 HydrophobicContact CE-CD1 3.7Å; M40-F42 HydrophobicContact CE-CE1 3.9Å; M40-F42 HydrophobicContact SD-CD1 4.43Å; M40-V52 HydrophobicContact CB-CB 4.26Å; M40-V52 HydrophobicContact CE-CB 3.76Å; M40-V52 HydrophobicContact CE-CG1 3.98Å; M40-V52 HydrophobicContact CE-CG2 3.7Å; M40-V52 PolarHBondContact N-O 3.07Å; M40-V52 PolarHBondContact O-N 3.21Å
41V98.7Very high97.3Very high0 Ų052.5 Ų52.50%025%0.25CC..EExtended strand (participates in β ladder)trans-126.7129.7166.6-176.20000109.3L29 Y30 V50 L51 V120 Y124L29-V41 WeakPolarHBondContact CA-O 3.22Å; L29-V41 HydrophobicContact CB-CG1 4.35Å; L29-V41 WeakPolarHBondContact CB-O 3.46Å; L29-V41 HydrophobicContact CD1-CG1 4.14Å; L29-V41 PolarHBondContact N-O 2.8Å; Y30-V41 PolarHBondContact N-O 3.2Å; Y30-V41 PolarHBondContact O-N 2.78Å; Y30-V41 VanDerWaalsContact O-O 3.12Å; V41-V50 VanDerWaalsContact CA-O 3.29Å; V41-V50 WeakPolarHBondContact CA-O 3.39Å; V41-L51 HydrophobicContact CG2-CD1 3.75Å; V41-V120 HydrophobicContact CB-CG1 4.37Å; V41-V120 HydrophobicContact CG2-CG1 3.23Å; V41-Y124 HydrophobicContact CG1-CG 4.29Å
42F98.7Very high97.4Very high0 Ų047.5 Ų47.50%023%0.227CC..EExtended strand (participates in β ladder)trans-133.3150.4173.268.9-88.8000110.6F9 L23 V25 E27 M40 N49 V50 V52F9-F42 HydrophobicContact CB-CE1 3.96Å; F9-F42 HydrophobicContact CB-CE2 4.36Å; F9-F42 HydrophobicContact CB-CZ 3.76Å; F9-F42 AromaticContact CD1-CE1 3.91Å; F9-F42 HydrophobicContact CD1-CE1 3.91Å; F9-F42 AromaticContact CD1-CZ 3.88Å; F9-F42 HydrophobicContact CD1-CZ 3.88Å; F9-F42 HydrophobicContact CD2-CE1 4.36Å; F9-F42 AromaticContact CG-CE1 3.79Å; F9-F42 HydrophobicContact CG-CE1 3.79Å; F9-F42 AromaticContact CG-CZ 3.93Å; F9-F42 HydrophobicContact CG-CZ 3.93Å; L23-F42 HydrophobicContact CB-CE2 4.24Å; L23-F42 HydrophobicContact CB-CZ 4.15Å; L23-F42 HydrophobicContact CD1-CZ 4.4Å; V25-F42 HydrophobicContact CB-CD2 4.25Å; V25-F42 HydrophobicContact CG1-CB 4.16Å; V25-F42 HydrophobicContact CG1-CD2 4.04Å; V25-F42 HydrophobicContact CG1-CG 4.37Å; V25-F42 HydrophobicContact CG2-CD2 3.8Å; V25-F42 HydrophobicContact CG2-CE2 3.95Å; V25-F42 HydrophobicContact CG2-CG 4.34Å; E27-F42 CarbonylContact O-C 3.56Å; E27-F42 VanDerWaalsContact O-CA 3.26Å; E27-F42 WeakPolarHBondContact O-CA 3.42Å; E27-F42 WeakPolarHBondContact O-CB 3.32Å; M40-F42 HydrophobicContact CE-CD1 3.7Å; M40-F42 HydrophobicContact CE-CE1 3.9Å; M40-F42 HydrophobicContact SD-CD1 4.43Å; F42-N49 WeakPolarHBondContact O-CA 3.37Å; F42-V50 HydrophobicContact CD1-CB 4.15Å; F42-V50 HydrophobicContact CD1-CG1 4.44Å; F42-V50 HydrophobicContact CD2-CB 4.39Å; F42-V50 HydrophobicContact CD2-CG2 4.46Å; F42-V50 HydrophobicContact CE1-CB 3.74Å; F42-V50 HydrophobicContact CE1-CG1 3.65Å; F42-V50 HydrophobicContact CE1-CG2 4.45Å; F42-V50 HydrophobicContact CE2-CB 4.01Å; F42-V50 HydrophobicContact CE2-CG1 4.49Å; F42-V50 HydrophobicContact CE2-CG2 3.87Å; F42-V50 HydrophobicContact CG-CB 4.46Å; F42-V50 HydrophobicContact CZ-CB 3.66Å; F42-V50 HydrophobicContact CZ-CG1 3.68Å; F42-V50 HydrophobicContact CZ-CG2 3.87Å; F42-V50 PolarHBondContact N-O 3.34Å; F42-V50 PolarHBondContact O-N 3.2Å; F42-V52 HydrophobicContact CD1-CG2 4.32Å; F42-V52 HydrophobicContact CE1-CG2 3.72Å
43R98.9Very high97.4Very high85 Ų8542.8 Ų42.832%0.32121%0.205SC..EExtended strand (participates in β ladder)trans-80.5123.5164.9-171171-60.4117.89.1108E26 E27 L29 N49E26-R43 WeakPolarHBondContact CA-O 3.49Å; E26-R43 HydrophobicContact CB-CB 4.37Å; E26-R43 HydrophobicContact CB-CG 4.32Å; E26-R43 WeakPolarHBondContact CB-O 3.42Å; E26-R43 PolarHBondContact N-O 2.88Å; E26-R43 VanDerWaalsContact OE2-CD 3.25Å; E26-R43 WeakPolarHBondContact OE2-CD 3.43Å; E27-R43 HydrophobicContact CB-CB 4.37Å; E27-R43 PolarHBondContact N-O 3.47Å; E27-R43 PolarHBondContact O-N 3.31Å; E27-R43 IonicContact OE2-CZ 3.56Å; E27-R43 IonicContact OE2-NH1 2.83Å; E27-R43 PolarHBondContact OE2-NH1 2.94Å; L29-R43 HydrophobicContact CD1-CB 4.16Å; L29-R43 HydrophobicContact CG-CB 4.4Å; R43-N49 PolarHBondContact NE-OD1 3.4Å
44S98.9Very high97.3Very high3 Ų339.5 Ų39.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-88.7160171.870.90000111Q24 T46 Y47 G48Q24-S44 CarbonylContact O-C 3.5Å; Q24-S44 VanDerWaalsContact O-CA 3.27Å; Q24-S44 WeakPolarHBondContact O-CA 3.35Å; S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 PolarHBondContact O-N 3.07Å; S44-Y47 VanDerWaalsContact OG-C 3.25Å; S44-Y47 WeakPolarHBondContact OG-CA 3.3Å; S44-Y47 VanDerWaalsContact OG-CB 3.26Å; S44-Y47 WeakPolarHBondContact OG-CB 3.17Å; S44-Y47 PolarHBondContact OG-N 3.33Å; S44-G48 WeakPolarHBondContact CB-O 3.16Å; S44-G48 PolarHBondContact N-O 2.9Å; S44-G48 PolarHBondContact OG-N 3.25Å; S44-G48 VanDerWaalsContact OG-N 3.15Å; S44-G48 PolarHBondContact OG-O 3.25Å
45K98.7Very high97.3Very high102 Ų10240.2 Ų40.244%0.44320%0.204SC..SBendtrans-66.4-27.7177.8-73.8-71.4173.9-166.10114.3Q24 E26Q24-K45 HydrophobicContact CB-CB 4.27Å; Q24-K45 HydrophobicContact CB-CG 4.11Å; Q24-K45 HydrophobicContact CG-CG 3.94Å; Q24-K45 PolarHBondContact O-N 3.45Å; E26-K45 HydrophobicContact CB-CD 3.98Å; E26-K45 HydrophobicContact CB-CG 4.31Å; E26-K45 HydrophobicContact CG-CD 4.49Å; E26-K45 IonicContact OE1-NZ 3.4Å; E26-K45 PolarHBondContact OE1-NZ 3.3Å
46T98.7Very high97.4Very high87 Ų8733.3 Ų33.353%0.53418%0.176SC..SBendtrans-140.70.8-168.658.30000115.3S44 R62S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 PolarHBondContact O-N 3.07Å; T46-R62 WeakPolarHBondContact O-CD 3.34Å; T46-R62 PolarHBondContact O-NH1 2.71Å
47Y98.8Very high97.7Very high44 Ų4429.2 Ų29.217%0.17316%0.158CC..SBendtrans-122.37-179.5-73.9-101.9000113.5L23 S44 E61 R62 T228L23-Y47 HydrophobicContact CD2-CD2 3.55Å; L23-Y47 HydrophobicContact CD2-CE2 3.71Å; L23-Y47 HydrophobicContact CD2-CG 4.09Å; S44-Y47 VanDerWaalsContact OG-C 3.25Å; S44-Y47 WeakPolarHBondContact OG-CA 3.3Å; S44-Y47 VanDerWaalsContact OG-CB 3.26Å; S44-Y47 WeakPolarHBondContact OG-CB 3.17Å; S44-Y47 PolarHBondContact OG-N 3.33Å; Y47-E61 PolarHBondContact O-N 3.09Å; Y47-R62 HydrophobicContact CD1-CB 3.88Å; Y47-R62 HydrophobicContact CD1-CG 4.05Å; Y47-R62 HydrophobicContact CE1-CG 4.45Å; Y47-R62 HydrophobicContact CG-CB 4.29Å; Y47-R62 PolarHBondContact O-N 2.87Å; Y47-T228 HydrophobicContact CD1-CG2 3.47Å; Y47-T228 VanDerWaalsContact CD1-CG2 3.47Å; Y47-T228 HydrophobicContact CE1-CG2 3.51Å; Y47-T228 HydrophobicContact CG-CG2 4.36Å
48G98.8Very high98Very high24 Ų2430.2 Ų30.225%0.24716%0.162CC..  trans72.2-152.4-174.600000111.7S44S44-G48 WeakPolarHBondContact CB-O 3.16Å; S44-G48 PolarHBondContact N-O 2.9Å; S44-G48 PolarHBondContact OG-N 3.25Å; S44-G48 VanDerWaalsContact OG-N 3.15Å; S44-G48 PolarHBondContact OG-O 3.25Å
49N98.9Very high98.1Very high14 Ų1426.5 Ų26.58%0.07514%0.143CC..EExtended strand (participates in β ladder)trans-72.5142.1174-62.4-12.7000110.6L29 F42 R43 E61 Y124 L125L29-N49 HydrophobicContact CD1-CB 4.47Å; L29-N49 WeakPolarHBondContact CD1-OD1 3.3Å; F42-N49 WeakPolarHBondContact O-CA 3.37Å; R43-N49 PolarHBondContact NE-OD1 3.4Å; N49-E61 HydrophobicContact CB-CG 4.21Å; N49-E61 PolarHBondContact N-OE2 3.19Å; N49-E61 PolarHBondContact O-N 3.27Å; N49-E61 VanDerWaalsContact O-N 3.15Å; N49-Y124 PolarHBondContact ND2-O 2.94Å; N49-L125 HydrophobicContact CB-CD2 3.87Å
50V98.9Very high98.2Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-126.2125.6-175-178.70000108.8L23 V41 F42 V52 I57 C59 T60L23-V50 HydrophobicContact CD1-CG1 4.32Å; L23-V50 HydrophobicContact CD1-CG2 4.02Å; V41-V50 VanDerWaalsContact CA-O 3.29Å; V41-V50 WeakPolarHBondContact CA-O 3.39Å; F42-V50 HydrophobicContact CD1-CB 4.15Å; F42-V50 HydrophobicContact CD1-CG1 4.44Å; F42-V50 HydrophobicContact CD2-CB 4.39Å; F42-V50 HydrophobicContact CD2-CG2 4.46Å; F42-V50 HydrophobicContact CE1-CB 3.74Å; F42-V50 HydrophobicContact CE1-CG1 3.65Å; F42-V50 HydrophobicContact CE1-CG2 4.45Å; F42-V50 HydrophobicContact CE2-CB 4.01Å; F42-V50 HydrophobicContact CE2-CG1 4.49Å; F42-V50 HydrophobicContact CE2-CG2 3.87Å; F42-V50 HydrophobicContact CG-CB 4.46Å; F42-V50 HydrophobicContact CZ-CB 3.66Å; F42-V50 HydrophobicContact CZ-CG1 3.68Å; F42-V50 HydrophobicContact CZ-CG2 3.87Å; F42-V50 PolarHBondContact N-O 3.34Å; F42-V50 PolarHBondContact O-N 3.2Å; V50-V52 HydrophobicContact CG1-CG2 3.98Å; V50-I57 HydrophobicContact CG1-CG1 4.47Å; V50-I57 HydrophobicContact CG1-CG2 4.07Å; V50-C59 WeakPolarHBondContact CA-O 3.47Å; V50-T60 HydrophobicContact CB-CG2 4.43Å; V50-T60 HydrophobicContact CG1-CG2 4.06Å; V50-T60 HydrophobicContact CG2-CG2 3.87Å
51L98.8Very high98.2Very high3 Ų329.3 Ų29.32%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-92.7131.5170.4178.662000109.7V39 V41 L53 Q58 C59 V117 L125V39-L51 HydrophobicContact CG1-CD1 4.31Å; V41-L51 HydrophobicContact CG2-CD1 3.75Å; L51-L53 HydrophobicContact CD1-CD2 4.16Å; L51-L53 HydrophobicContact CG-CG 4.48Å; L51-Q58 HydrophobicContact CB-CB 4.4Å; L51-Q58 HydrophobicContact CD2-CB 4.08Å; L51-Q58 HydrophobicContact CD2-CG 4.44Å; L51-Q58 HydrophobicContact CG-CB 4.11Å; L51-Q58 HydrophobicContact CG-CG 4.31Å; L51-Q58 PolarHBondContact O-N 3.41Å; L51-C59 PolarHBondContact N-O 3.39Å; L51-V117 HydrophobicContact CD2-CG1 4.25Å; L51-L125 HydrophobicContact CB-CD1 3.85Å; L51-L125 HydrophobicContact CD2-CD1 4.09Å; L51-L125 HydrophobicContact CG-CD1 4.45Å
52V98.3Very high98.2Very high2 Ų235.5 Ų35.51%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-128.9129.9176.2-179.50000109F9 M40 F42 V50 V56 I57F9-V52 HydrophobicContact CE1-CG1 4.47Å; F9-V52 HydrophobicContact CE1-CG2 3.98Å; F9-V52 HydrophobicContact CE2-CG1 3.94Å; F9-V52 HydrophobicContact CE2-CG2 4.27Å; F9-V52 HydrophobicContact CZ-CB 4.34Å; F9-V52 HydrophobicContact CZ-CG1 3.57Å; F9-V52 HydrophobicContact CZ-CG2 3.8Å; M40-V52 HydrophobicContact CB-CB 4.26Å; M40-V52 HydrophobicContact CE-CB 3.76Å; M40-V52 HydrophobicContact CE-CG1 3.98Å; M40-V52 HydrophobicContact CE-CG2 3.7Å; M40-V52 PolarHBondContact N-O 3.07Å; M40-V52 PolarHBondContact O-N 3.21Å; F42-V52 HydrophobicContact CD1-CG2 4.32Å; F42-V52 HydrophobicContact CE1-CG2 3.72Å; V50-V52 HydrophobicContact CG1-CG2 3.98Å; V52-V56 CarbonylContact C-O 3.52Å; V52-V56 VanDerWaalsContact CA-O 3.28Å; V52-V56 WeakPolarHBondContact CA-O 3.36Å; V52-V56 WeakPolarHBondContact CG1-O 3.4Å; V52-I57 HydrophobicContact CG2-CG1 4.32Å
53L96.6Very high98.2Very high17 Ų1735.8 Ų35.89%0.08918%0.181CC..EExtended strand (participates in β ladder)trans-121.6127.2175.3-59.8-179.3000109.1Q37 D38 V39 L51 G55 V56 Q58 V117Q37-L53 HydrophobicContact CG-CD2 4.24Å; D38-L53 CarbonylContact O-C 3.51Å; D38-L53 WeakPolarHBondContact O-CA 3.48Å; V39-L53 HydrophobicContact CB-CD2 4.13Å; V39-L53 HydrophobicContact CG1-CD2 3.92Å; V39-L53 HydrophobicContact CG2-CD2 3.81Å; L51-L53 HydrophobicContact CD1-CD2 4.16Å; L51-L53 HydrophobicContact CG-CG 4.48Å; L53-G55 PolarHBondContact O-N 2.61Å; L53-V56 PolarHBondContact N-O 2.97Å; L53-V56 PolarHBondContact O-N 3.32Å; L53-Q58 HydrophobicContact CB-CG 3.82Å; L53-Q58 HydrophobicContact CD1-CG 3.61Å; L53-Q58 HydrophobicContact CG-CG 3.48Å; L53-Q58 VanDerWaalsContact CG-CG 3.48Å; L53-V117 HydrophobicContact CD1-CG2 4.18Å; L53-V117 HydrophobicContact CD2-CG2 3.85Å
54D95.4Very high98.2Very high82 Ų8232.4 Ų32.444%0.43917%0.169SC..THydrogen-bonded Turntrans48.931.6-177.2-73.1-24.6000114.2Q37 D38Q37-D54 WeakPolarHBondContact CA-OD1 3.34Å; Q37-D54 WeakPolarHBondContact CB-OD1 3.28Å; Q37-D54 WeakPolarHBondContact CB-OD2 3.35Å; D38-D54 PolarHBondContact N-OD1 3.25Å; D38-D54 PolarHBondContact O-N 2.85Å
55G95.4Very high98.2Very high28 Ų2833.9 Ų33.929%0.28918%0.175SC..THydrogen-bonded Turntrans84.52.6-179.800000115.4L53L53-G55 PolarHBondContact O-N 2.61Å
56V97Very high98.3Very high19 Ų1929.2 Ų29.212%0.11516%0.155CC..EExtended strand (participates in β ladder)trans-103.7131175.9-179.50000110.5E11 W16 V52 L53 Q58 D164E11-V56 WeakPolarHBondContact OE1-CA 3.32Å; E11-V56 WeakPolarHBondContact OE1-CG1 3.32Å; W16-V56 HydrophobicContact CH2-CG1 3.91Å; W16-V56 HydrophobicContact CH2-CG2 3.9Å; W16-V56 HydrophobicContact CZ2-CG1 4.42Å; W16-V56 HydrophobicContact CZ2-CG2 4.23Å; V52-V56 CarbonylContact C-O 3.52Å; V52-V56 VanDerWaalsContact CA-O 3.28Å; V52-V56 WeakPolarHBondContact CA-O 3.36Å; V52-V56 WeakPolarHBondContact CG1-O 3.4Å; L53-V56 PolarHBondContact N-O 2.97Å; L53-V56 PolarHBondContact O-N 3.32Å; V56-Q58 PolarHBondContact O-N 3.11Å; V56-Q58 PolarHBondContact O-NE2 3.12Å; V56-D164 WeakPolarHBondContact CG1-OD2 3.37Å
57I98.4Very high98.3Very high3 Ų325.1 Ų25.12%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-66.4120.2174.8-61.6171.9000108.5F9 E11 L23 V50 V52 T60F9-I57 HydrophobicContact CD1-CD1 4.45Å; F9-I57 HydrophobicContact CD1-CG1 4.46Å; F9-I57 HydrophobicContact CE1-CD1 4Å; F9-I57 HydrophobicContact CE1-CG1 3.66Å; F9-I57 HydrophobicContact CZ-CG1 4.49Å; E11-I57 HydrophobicContact CB-CD1 4.29Å; E11-I57 HydrophobicContact CB-CG1 4.4Å; E11-I57 PolarHBondContact OE1-N 3.47Å; L23-I57 HydrophobicContact CD1-CD1 3.93Å; L23-I57 HydrophobicContact CG-CD1 4.46Å; V50-I57 HydrophobicContact CG1-CG1 4.47Å; V50-I57 HydrophobicContact CG1-CG2 4.07Å; V52-I57 HydrophobicContact CG2-CG1 4.32Å; I57-T60 HydrophobicContact CG2-CG2 4.1Å
58Q98.6Very high98.3Very high32 Ų3223.1 Ų23.115%0.1512%0.122CC..EExtended strand (participates in β ladder)trans-92.2-39.4175.9-56.5-53.2-6200111.8L51 L53 V56 Y229L51-Q58 HydrophobicContact CB-CB 4.4Å; L51-Q58 HydrophobicContact CD2-CB 4.08Å; L51-Q58 HydrophobicContact CD2-CG 4.44Å; L51-Q58 HydrophobicContact CG-CB 4.11Å; L51-Q58 HydrophobicContact CG-CG 4.31Å; L51-Q58 PolarHBondContact O-N 3.41Å; L53-Q58 HydrophobicContact CB-CG 3.82Å; L53-Q58 HydrophobicContact CD1-CG 3.61Å; L53-Q58 HydrophobicContact CG-CG 3.48Å; L53-Q58 VanDerWaalsContact CG-CG 3.48Å; V56-Q58 PolarHBondContact O-N 3.11Å; V56-Q58 PolarHBondContact O-NE2 3.12Å; Q58-Y229 WeakPolarHBondContact O-CE1 3.33Å; Q58-Y229 PolarHBondContact O-OH 2.72Å
59C98.8Very high98.3Very high1 Ų122.1 Ų22.11%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-163.3157.2177.359.20000111.9V50 L51 E64 M128V50-C59 WeakPolarHBondContact CA-O 3.47Å; L51-C59 PolarHBondContact N-O 3.39Å; C59-E64 HydrophobicContact CB-CB 4.33Å; C59-M128 HydrophobicContact CB-CE 4.28Å; C59-M128 HydrophobicContact CB-SD 4.06Å; C59-M128 WeakPolarHBondContact SG-CE 3.46Å
60T98.9Very high98.3Very high0 Ų021.4 Ų21.40%011%0.107CC..EExtended strand (participates in β ladder)trans-128.3144.3165.886.10000110L23 V50 I57 R62 D63 E64 T228L23-T60 HydrophobicContact CD1-CG2 4.23Å; V50-T60 HydrophobicContact CB-CG2 4.43Å; V50-T60 HydrophobicContact CG1-CG2 4.06Å; V50-T60 HydrophobicContact CG2-CG2 3.87Å; I57-T60 HydrophobicContact CG2-CG2 4.1Å; T60-R62 PolarHBondContact O-N 3.09Å; T60-R62 PolarHBondContact OG1-N 3.06Å; T60-D63 PolarHBondContact O-N 3.12Å; T60-D63 PolarHBondContact OG1-OD1 2.8Å; T60-E64 VanDerWaalsContact O-CB 3.27Å; T60-E64 WeakPolarHBondContact O-CB 3.45Å; T60-E64 PolarHBondContact O-N 2.95Å; T60-T228 HydrophobicContact CG2-CG2 3.53Å
61E98.9Very high98.3Very high69 Ų6921.4 Ų21.432%0.32211%0.107SC..THydrogen-bonded Turntrans-57.5-24.1178.5-68.8-178.2130.800113.2Y47 N49 L125Y47-E61 PolarHBondContact O-N 3.09Å; N49-E61 HydrophobicContact CB-CG 4.21Å; N49-E61 PolarHBondContact N-OE2 3.19Å; N49-E61 PolarHBondContact O-N 3.27Å; N49-E61 VanDerWaalsContact O-N 3.15Å; E61-L125 HydrophobicContact CG-CD2 4.42Å
62R98.9Very high98.3Very high130 Ų13021.3 Ų21.349%0.49111%0.106SC..THydrogen-bonded Turntrans-73-38.9-177.3174.4166.3177-176.9-1.8113.4T46 Y47 T60 F65T46-R62 WeakPolarHBondContact O-CD 3.34Å; T46-R62 PolarHBondContact O-NH1 2.71Å; Y47-R62 HydrophobicContact CD1-CB 3.88Å; Y47-R62 HydrophobicContact CD1-CG 4.05Å; Y47-R62 HydrophobicContact CE1-CG 4.45Å; Y47-R62 HydrophobicContact CG-CB 4.29Å; Y47-R62 PolarHBondContact O-N 2.87Å; T60-R62 PolarHBondContact O-N 3.09Å; T60-R62 PolarHBondContact OG1-N 3.06Å; R62-F65 WeakPolarHBondContact O-CE1 3.48Å
63D98.9Very high98.3Very high7 Ų721.2 Ų21.24%0.03711%0.106CC..THydrogen-bonded Turntrans-129.1-3.5-168.267.4-8.2000115.3T60 F65 S66 P227 T228T60-D63 PolarHBondContact O-N 3.12Å; T60-D63 PolarHBondContact OG1-OD1 2.8Å; D63-F65 PolarHBondContact O-N 3.21Å; D63-F65 VanDerWaalsContact O-N 3.14Å; D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 VanDerWaalsContact O-N 3.16Å; D63-P227 WeakPolarHBondContact OD2-CD 3.12Å; D63-T228 PolarHBondContact OD1-OG1 3.13Å; D63-T228 VanDerWaalsContact OD2-CB 3.3Å; D63-T228 WeakPolarHBondContact OD2-CB 3.2Å; D63-T228 WeakPolarHBondContact OD2-CG2 3.35Å; D63-T228 PolarHBondContact OD2-N 3.06Å; D63-T228 PolarHBondContact OD2-OG1 3.4Å
64E98.9Very high98.4Very high14 Ų1420.4 Ų20.47%0.06510%0.101CC..Hα-helixtrans-43.4-52.3177.263.190.4-170.600111C59 T60 S66 Y67 Q68 R97 M128C59-E64 HydrophobicContact CB-CB 4.33Å; T60-E64 VanDerWaalsContact O-CB 3.27Å; T60-E64 WeakPolarHBondContact O-CB 3.45Å; T60-E64 PolarHBondContact O-N 2.95Å; E64-S66 CarbonylContact O-C 3.59Å; E64-S66 PolarHBondContact O-N 3.35Å; E64-Y67 PolarHBondContact O-N 3.19Å; E64-Q68 PolarHBondContact O-N 3.08Å; E64-Q68 PolarHBondContact O-OE1 3.37Å; E64-Q68 VanDerWaalsContact OE2-CD 3.3Å; E64-Q68 WeakPolarHBondContact OE2-CG 3.26Å; E64-Q68 PolarHBondContact OE2-OE1 3.46Å; E64-R97 IonicContact OE1-CZ 2.74Å; E64-R97 IonicContact OE1-NH1 3.38Å; E64-R97 PolarHBondContact OE1-NH1 3.17Å; E64-R97 IonicContact OE1-NH2 2.84Å; E64-R97 PolarHBondContact OE1-NH2 2.92Å; E64-R97 VanDerWaalsContact OE1-NH2 3.13Å; E64-R97 IonicContact OE2-CZ 2.61Å; E64-R97 IonicContact OE2-NH1 3.52Å; E64-R97 PolarHBondContact OE2-NH1 3.21Å; E64-R97 IonicContact OE2-NH2 2.69Å; E64-R97 PolarHBondContact OE2-NH2 3.44Å; E64-M128 HydrophobicContact CB-SD 3.69Å; E64-M128 HydrophobicContact CG-CG 4.02Å; E64-M128 HydrophobicContact CG-SD 3.62Å
65F98.9Very high98.6Very high34 Ų3416.5 Ų16.515%0.1498%0.081CC..Hα-helixtrans-45.8-29.4-174.571.2-93.2000115.4R62 D63 E69 R265 Y266R62-F65 WeakPolarHBondContact O-CE1 3.48Å; D63-F65 PolarHBondContact O-N 3.21Å; D63-F65 VanDerWaalsContact O-N 3.14Å; F65-E69 WeakPolarHBondContact O-CB 3.18Å; F65-E69 WeakPolarHBondContact O-CG 3.4Å; F65-E69 PolarHBondContact O-N 3.37Å; F65-R265 HydrophobicContact CB-CB 4.37Å; F65-R265 VanDerWaalsContact CD1-NH1 3.29Å; F65-R265 HydrophobicContact CD2-CB 3.3Å; F65-R265 HydrophobicContact CD2-CG 4.46Å; F65-R265 HydrophobicContact CE2-CB 3.59Å; F65-R265 HydrophobicContact CG-CB 3.83Å; F65-R265 HydrophobicContact CZ-CB 4.32Å; F65-Y266 HydrophobicContact CE2-CD2 4.41Å
66S98.9Very high98.8Very high4 Ų415.1 Ų15.13%0.0287%0.067CC..Hα-helixtrans-59.6-54.2170.7177.60000112.6D63 E64 M70 C224 T225 Y266D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 VanDerWaalsContact O-N 3.16Å; E64-S66 CarbonylContact O-C 3.59Å; E64-S66 PolarHBondContact O-N 3.35Å; S66-M70 VanDerWaalsContact O-CB 3.24Å; S66-M70 WeakPolarHBondContact O-CB 3.28Å; S66-M70 WeakPolarHBondContact O-CG 3.47Å; S66-M70 PolarHBondContact O-N 3.29Å; S66-C224 PolarHBondContact OG-SG 3.08Å; S66-T225 WeakPolarHBondContact CB-O 3.23Å; S66-T225 PolarHBondContact OG-O 2.81Å; S66-Y266 WeakPolarHBondContact OG-CD2 3.2Å; S66-Y266 VanDerWaalsContact OG-CE2 3.31Å; S66-Y266 WeakPolarHBondContact OG-CE2 3.28Å
67Y98.9Very high98.9Very high1 Ų114.2 Ų14.20%0.0046%0.061CC..Hα-helixtrans-67.8-53.2180178.4-92.5000111.4E64 E69 M70 I71 D161 Q194 Y229 I234 F236E64-Y67 PolarHBondContact O-N 3.19Å; Y67-E69 PolarHBondContact O-N 2.8Å; Y67-M70 PolarHBondContact O-N 3.4Å; Y67-M70 VanDerWaalsContact O-N 3.17Å; Y67-I71 HydrophobicContact CD1-CG2 4.29Å; Y67-I71 HydrophobicContact CE1-CB 4.49Å; Y67-I71 HydrophobicContact CE1-CD1 4.17Å; Y67-I71 HydrophobicContact CE1-CG2 3.97Å; Y67-I71 HydrophobicContact CE2-CD1 4.32Å; Y67-I71 WeakPolarHBondContact O-CG2 3.36Å; Y67-I71 PolarHBondContact O-N 2.82Å; Y67-I71 WeakPolarHBondContact OH-CD1 3.36Å; Y67-D161 VanDerWaalsContact CE1-OD1 3.26Å; Y67-D161 WeakPolarHBondContact CE1-OD1 3.26Å; Y67-D161 PolarHBondContact OH-OD1 2.85Å; Y67-Q194 HydrophobicContact CE2-CG 4.25Å; Y67-Y229 AromaticContact CD2-CE2 3.64Å; Y67-Y229 HydrophobicContact CD2-CE2 3.64Å; Y67-Y229 HydrophobicContact CE2-CE2 4Å; Y67-Y229 HydrophobicContact CG-CE2 4.14Å; Y67-I234 HydrophobicContact CD2-CG2 3.69Å; Y67-I234 HydrophobicContact CE2-CG2 4.02Å; Y67-F236 AromaticContact CD2-CE1 3.79Å; Y67-F236 HydrophobicContact CD2-CE1 3.79Å; Y67-F236 AromaticContact CD2-CZ 3.93Å; Y67-F236 HydrophobicContact CD2-CZ 3.93Å; Y67-F236 AromaticContact CE2-CE1 3.63Å; Y67-F236 HydrophobicContact CE2-CE1 3.63Å; Y67-F236 HydrophobicContact CE2-CZ 4.25Å
68Q98.9Very high98.9Very high2 Ų214.3 Ų14.31%0.0096%0.062CC..Hα-helixtrans-60.4-43.9-175.8-8173.49.700111.8E64 A72 G94 V95 E98E64-Q68 PolarHBondContact O-N 3.08Å; E64-Q68 PolarHBondContact O-OE1 3.37Å; E64-Q68 VanDerWaalsContact OE2-CD 3.3Å; E64-Q68 WeakPolarHBondContact OE2-CG 3.26Å; E64-Q68 PolarHBondContact OE2-OE1 3.46Å; Q68-A72 VanDerWaalsContact O-CB 3.28Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.48Å; Q68-G94 VanDerWaalsContact CG-C 3.44Å; Q68-V95 HydrophobicContact CG-CG2 4.17Å; Q68-E98 HydrophobicContact CB-CG 4.03Å
69E98.9Very high98.9Very high2 Ų213.6 Ų13.61%0.0096%0.059CC..Hα-helixtrans-67.3-39.7178.2-67.1174.9-159.200111.2F65 Y67 N73 E98 L264 R265 Y266 Y267F65-E69 WeakPolarHBondContact O-CB 3.18Å; F65-E69 WeakPolarHBondContact O-CG 3.4Å; F65-E69 PolarHBondContact O-N 3.37Å; Y67-E69 PolarHBondContact O-N 2.8Å; E69-N73 WeakPolarHBondContact O-CB 3.34Å; E69-N73 PolarHBondContact O-N 3.19Å; E69-N73 PolarHBondContact O-ND2 2.81Å; E69-E98 HydrophobicContact CG-CG 4.26Å; E69-L264 HydrophobicContact CG-CD2 3.96Å; E69-R265 PolarHBondContact OE1-N 3.26Å; E69-R265 PolarHBondContact OE2-N 2.93Å; E69-R265 VanDerWaalsContact OE2-N 3.13Å; E69-Y266 WeakPolarHBondContact OE2-CA 3.43Å; E69-Y266 PolarHBondContact OE2-N 2.85Å; E69-Y267 PolarHBondContact OE2-N 3.28Å
70M98.9Very high98.9Very high0 Ų017.4 Ų17.40%08%0.083CC..Hα-helixtrans-71-49.8-177.1-70.2-66-61.800112.4S66 Y67 A72 N73 L74 C224 F236 Y266 Y267 I271 S275S66-M70 VanDerWaalsContact O-CB 3.24Å; S66-M70 WeakPolarHBondContact O-CB 3.28Å; S66-M70 WeakPolarHBondContact O-CG 3.47Å; S66-M70 PolarHBondContact O-N 3.29Å; Y67-M70 PolarHBondContact O-N 3.4Å; Y67-M70 VanDerWaalsContact O-N 3.17Å; M70-A72 PolarHBondContact O-N 2.85Å; M70-N73 PolarHBondContact O-N 3.19Å; M70-L74 HydrophobicContact CB-CD1 4.42Å; M70-L74 HydrophobicContact CE-CD1 3.87Å; M70-L74 HydrophobicContact CE-CD2 3.91Å; M70-L74 HydrophobicContact CE-CG 3.9Å; M70-L74 VanDerWaalsContact O-CB 3.23Å; M70-L74 WeakPolarHBondContact O-CB 3.41Å; M70-L74 WeakPolarHBondContact O-CD1 3.44Å; M70-L74 WeakPolarHBondContact O-CG 3.34Å; M70-L74 PolarHBondContact O-N 3.41Å; M70-C224 HydrophobicContact CB-CB 4.21Å; M70-C224 HydrophobicContact CE-CB 4.5Å; M70-C224 HydrophobicContact CG-CB 3.73Å; M70-F236 HydrophobicContact CB-CE2 3.72Å; M70-F236 HydrophobicContact CB-CZ 3.83Å; M70-Y266 HydrophobicContact CE-CE1 4.37Å; M70-Y266 HydrophobicContact CG-CD1 3.47Å; M70-Y266 VanDerWaalsContact CG-CD1 3.47Å; M70-Y266 HydrophobicContact CG-CE1 3.49Å; M70-Y266 VanDerWaalsContact CG-CE1 3.49Å; M70-Y266 HydrophobicContact SD-CD1 3.58Å; M70-Y266 VanDerWaalsContact SD-CD1 3.58Å; M70-Y266 HydrophobicContact SD-CE1 3.52Å; M70-Y266 VanDerWaalsContact SD-CE1 3.52Å; M70-Y267 HydrophobicContact SD-CD2 3.71Å; M70-I271 HydrophobicContact CE-CG2 4.36Å; M70-I271 HydrophobicContact SD-CG2 3.85Å; M70-S275 WeakPolarHBondContact CE-OG 3.2Å
71I98.9Very high98.8Very high0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-64.8-28.1-178.6-159.1169.6000112.3Y67 P75 V95 I159 D161 F236Y67-I71 HydrophobicContact CD1-CG2 4.29Å; Y67-I71 HydrophobicContact CE1-CB 4.49Å; Y67-I71 HydrophobicContact CE1-CD1 4.17Å; Y67-I71 HydrophobicContact CE1-CG2 3.97Å; Y67-I71 HydrophobicContact CE2-CD1 4.32Å; Y67-I71 WeakPolarHBondContact O-CG2 3.36Å; Y67-I71 PolarHBondContact O-N 2.82Å; Y67-I71 WeakPolarHBondContact OH-CD1 3.36Å; I71-P75 WeakPolarHBondContact O-CD 3.34Å; I71-P75 VanDerWaalsContact O-CG 3.28Å; I71-P75 WeakPolarHBondContact O-CG 3.43Å; I71-V95 HydrophobicContact CG2-CB 4.45Å; I71-V95 HydrophobicContact CG2-CG1 4.19Å; I71-V95 HydrophobicContact CG2-CG2 3.42Å; I71-V95 VanDerWaalsContact CG2-CG2 3.42Å; I71-I159 HydrophobicContact CD1-CG2 3.99Å; I71-I159 HydrophobicContact CG1-CG2 3.86Å; I71-D161 HydrophobicContact CD1-CB 4.41Å; I71-F236 HydrophobicContact CB-CD1 3.97Å; I71-F236 HydrophobicContact CB-CE1 3.61Å; I71-F236 HydrophobicContact CB-CZ 4.41Å; I71-F236 HydrophobicContact CD1-CD1 4.1Å; I71-F236 HydrophobicContact CD1-CE1 4.12Å; I71-F236 HydrophobicContact CG1-CD1 3.82Å; I71-F236 HydrophobicContact CG1-CE1 3.92Å
72A98.9Very high98.8Very high0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-79.7-53.1173.200000112.5Q68 M70 P75 L76 V95 E98 V99Q68-A72 VanDerWaalsContact O-CB 3.28Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.48Å; M70-A72 PolarHBondContact O-N 2.85Å; A72-P75 WeakPolarHBondContact O-CD 3.45Å; A72-P75 WeakPolarHBondContact O-CG 3.4Å; A72-L76 HydrophobicContact CB-CD1 4.45Å; A72-L76 WeakPolarHBondContact O-CB 3.14Å; A72-L76 VanDerWaalsContact O-CD1 3.25Å; A72-L76 WeakPolarHBondContact O-CD1 3.4Å; A72-L76 WeakPolarHBondContact O-CG 3.13Å; A72-L76 PolarHBondContact O-N 3Å; A72-V95 HydrophobicContact CB-CG1 4.48Å; A72-E98 HydrophobicContact CB-CB 3.52Å; A72-V99 HydrophobicContact CB-CG2 4.01Å
73N98.9Very high98.8Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-80.3-26.3-168-69.5-74.4000113.7E69 M70 C77 H102 Y267E69-N73 WeakPolarHBondContact O-CB 3.34Å; E69-N73 PolarHBondContact O-N 3.19Å; E69-N73 PolarHBondContact O-ND2 2.81Å; M70-N73 PolarHBondContact O-N 3.19Å; N73-C77 WeakPolarHBondContact O-CB 3.36Å; N73-C77 PolarHBondContact O-N 2.83Å; N73-C77 PolarHBondContact O-SG 2.93Å; N73-H102 PolarHBondContact OD1-CE1 3.36Å; N73-H102 PolarHBondContact OD1-NE2 2.76Å; N73-Y267 HydrophobicContact CB-CD1 3.71Å; N73-Y267 HydrophobicContact CB-CD2 3.44Å; N73-Y267 VanDerWaalsContact CB-CD2 3.44Å; N73-Y267 HydrophobicContact CB-CE1 3.71Å; N73-Y267 HydrophobicContact CB-CE2 3.43Å; N73-Y267 VanDerWaalsContact CB-CE2 3.43Å; N73-Y267 HydrophobicContact CB-CG 3.57Å
74L98.9Very high98.8Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-54.5-61.1173.2-74.9170.2000111.2M70 S78 A222 F236 L238 F276M70-L74 HydrophobicContact CB-CD1 4.42Å; M70-L74 HydrophobicContact CE-CD1 3.87Å; M70-L74 HydrophobicContact CE-CD2 3.91Å; M70-L74 HydrophobicContact CE-CG 3.9Å; M70-L74 VanDerWaalsContact O-CB 3.23Å; M70-L74 WeakPolarHBondContact O-CB 3.41Å; M70-L74 WeakPolarHBondContact O-CD1 3.44Å; M70-L74 WeakPolarHBondContact O-CG 3.34Å; M70-L74 PolarHBondContact O-N 3.41Å; L74-S78 WeakPolarHBondContact O-CB 3.43Å; L74-S78 PolarHBondContact O-N 2.96Å; L74-S78 PolarHBondContact O-OG 2.8Å; L74-A222 HydrophobicContact CD1-CB 3.81Å; L74-A222 HydrophobicContact CD2-CB 4.34Å; L74-F236 HydrophobicContact CD1-CB 4.16Å; L74-F236 HydrophobicContact CD1-CD2 3.55Å; L74-F236 HydrophobicContact CD1-CE2 4.19Å; L74-F236 HydrophobicContact CD1-CG 3.97Å; L74-L238 HydrophobicContact CB-CD1 4.49Å; L74-L238 HydrophobicContact CB-CD2 4.12Å; L74-L238 HydrophobicContact CD1-CD1 4.33Å; L74-F276 HydrophobicContact CD2-CE2 3.91Å; L74-F276 HydrophobicContact CD2-CZ 3.98Å
75P98.9Very high98.8Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-68.2-39.4179.927.6-36000112.8I71 A72 C77 S78 H79 I157 I159 I190 C192 L238I71-P75 WeakPolarHBondContact O-CD 3.34Å; I71-P75 VanDerWaalsContact O-CG 3.28Å; I71-P75 WeakPolarHBondContact O-CG 3.43Å; A72-P75 WeakPolarHBondContact O-CD 3.45Å; A72-P75 WeakPolarHBondContact O-CG 3.4Å; P75-C77 PolarHBondContact O-N 2.89Å; P75-S78 PolarHBondContact O-N 2.78Å; P75-H79 PolarHBondContact O-N 2.78Å; P75-H79 VanDerWaalsContact O-N 3.16Å; P75-I157 HydrophobicContact CB-CD1 4.22Å; P75-I157 HydrophobicContact CB-CG2 3.94Å; P75-I157 HydrophobicContact CG-CG2 4.18Å; P75-I159 HydrophobicContact CG-CD1 4.25Å; P75-I159 HydrophobicContact CG-CG1 4.1Å; P75-I190 HydrophobicContact CB-CG2 3.76Å; P75-C192 HydrophobicContact CB-CB 3.81Å; P75-C192 HydrophobicContact CG-CB 3.55Å; P75-L238 HydrophobicContact CB-CD2 4.38Å
76L98.9Very high98.8Very high0 Ų015.3 Ų15.30%08%0.082CC..Hα-helixtrans-63.5-43-177.4-73.5170.1000111.6A72 S78 H79 P82 V85 V99 H102 V105 I157 R252A72-L76 HydrophobicContact CB-CD1 4.45Å; A72-L76 WeakPolarHBondContact O-CB 3.14Å; A72-L76 VanDerWaalsContact O-CD1 3.25Å; A72-L76 WeakPolarHBondContact O-CD1 3.4Å; A72-L76 WeakPolarHBondContact O-CG 3.13Å; A72-L76 PolarHBondContact O-N 3Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-H79 PolarHBondContact O-N 2.96Å; L76-H79 VanDerWaalsContact O-O 3.12Å; L76-P82 HydrophobicContact CD2-CB 3.75Å; L76-P82 HydrophobicContact CD2-CG 3.7Å; L76-V85 HydrophobicContact CD2-CG2 4.08Å; L76-V99 HydrophobicContact CD1-CB 4.33Å; L76-V99 HydrophobicContact CD1-CG1 4.36Å; L76-V99 HydrophobicContact CD1-CG2 4.09Å; L76-H102 VanDerWaalsContact CD1-CD2 3.47Å; L76-H102 WeakPolarHBondContact CD1-CD2 3.41Å; L76-V105 HydrophobicContact CD2-CG2 3.85Å; L76-I157 HydrophobicContact CD2-CG1 4.09Å; L76-R252 VanDerWaalsContact C-NH2 3.27Å; L76-R252 PolarHBondContact O-NE 2.83Å; L76-R252 PolarHBondContact O-NH2 3.15Å
77C98.8Very high98.8Very high0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-80.3-15.7-179.5-59.80000113N73 P75 P250 V251 R252 Y267N73-C77 WeakPolarHBondContact O-CB 3.36Å; N73-C77 PolarHBondContact O-N 2.83Å; N73-C77 PolarHBondContact O-SG 2.93Å; P75-C77 PolarHBondContact O-N 2.89Å; C77-P250 HydrophobicContact CB-CB 3.92Å; C77-P250 CarbonylContact O-C 3.58Å; C77-V251 WeakPolarHBondContact O-CG1 3.46Å; C77-V251 PolarHBondContact O-N 2.95Å; C77-V251 VanDerWaalsContact O-N 3.07Å; C77-R252 WeakPolarHBondContact CB-O 3.21Å; C77-R252 PolarHBondContact O-N 3.34Å; C77-Y267 WeakPolarHBondContact CB-OH 3.42Å; C77-Y267 PolarHBondContact SG-OH 3.29Å
78S98.8Very high98.8Very high5 Ų515.3 Ų15.34%0.0358%0.082CC..Hα-helixtrans-85.4-8.4170.1-58.60000113.8L74 P75 L76 I190 V251L74-S78 WeakPolarHBondContact O-CB 3.43Å; L74-S78 PolarHBondContact O-N 2.96Å; L74-S78 PolarHBondContact O-OG 2.8Å; P75-S78 PolarHBondContact O-N 2.78Å; L76-S78 VanDerWaalsContact C-N 3.34Å; S78-I190 WeakPolarHBondContact O-CD1 3.45Å; S78-V251 VanDerWaalsContact C-CG1 3.49Å; S78-V251 WeakPolarHBondContact O-CG1 3.47Å
79H98.7Very high98.7Very high17 Ų1715.9 Ų15.98%0.0799%0.088CC..SBendtrans-104.7132.5174.9-165.6-85.2000111.3P75 L76 C81 P82 I157 I190 R252P75-H79 PolarHBondContact O-N 2.78Å; P75-H79 VanDerWaalsContact O-N 3.16Å; L76-H79 PolarHBondContact O-N 2.96Å; L76-H79 VanDerWaalsContact O-O 3.12Å; H79-C81 PolarHBondContact CE1-O 3.17Å; H79-C81 VanDerWaalsContact CE1-O 3.29Å; H79-C81 PolarHBondContact ND1-N 3.46Å; H79-C81 VanDerWaalsContact ND1-N 3.19Å; H79-C81 PolarHBondContact ND1-O 2.91Å; H79-C81 PolarHBondContact O-N 2.74Å; H79-P82 HydrophobicContact CB-CB 4.17Å; H79-P82 HydrophobicContact CB-CG 4.39Å; H79-P82 WeakPolarHBondContact ND1-CA 3.4Å; H79-P82 VanDerWaalsContact ND1-N 3.14Å; H79-I157 HydrophobicContact CB-CD1 3.62Å; H79-I190 HydrophobicContact CB-CD1 4.03Å; H79-R252 WeakPolarHBondContact O-CD 3.44Å; H79-R252 PolarHBondContact O-NE 3.42Å
80P98Very high98.6Very high80 Ų8016 Ų1652%0.5199%0.09SC..SBendtrans-70.6-28.4-174.127.2-35.2000113.7V251 R252P80-V251 HydrophobicContact CB-CG1 4.37Å; P80-R252 WeakPolarHBondContact O-CD 3.35Å
81C98.1Very high98.6Very high51 Ų5116.2 Ų16.235%0.3459%0.092SC..SBendtrans-151.772179.9-164.60000112.4H79 K83H79-C81 PolarHBondContact CE1-O 3.17Å; H79-C81 VanDerWaalsContact CE1-O 3.29Å; H79-C81 PolarHBondContact ND1-N 3.46Å; H79-C81 VanDerWaalsContact ND1-N 3.19Å; H79-C81 PolarHBondContact ND1-O 2.91Å; H79-C81 PolarHBondContact O-N 2.74Å; C81-K83 PolarHBondContact O-N 3.27Å; C81-K83 VanDerWaalsContact SG-CE 3.57Å
82P98.2Very high98.5Very high0 Ų016.9 Ų16.90%010%0.096CC..  trans-79.8105.5-176.631.3-32000110.7L76 H79 L104 V105 I157L76-P82 HydrophobicContact CD2-CB 3.75Å; L76-P82 HydrophobicContact CD2-CG 3.7Å; H79-P82 HydrophobicContact CB-CB 4.17Å; H79-P82 HydrophobicContact CB-CG 4.39Å; H79-P82 WeakPolarHBondContact ND1-CA 3.4Å; H79-P82 VanDerWaalsContact ND1-N 3.14Å; P82-L104 CarbonylContact O-C 3.35Å; P82-L104 VanDerWaalsContact O-C 3.31Å; P82-V105 WeakPolarHBondContact O-CA 3.13Å; P82-V105 WeakPolarHBondContact O-CG2 3.23Å; P82-V105 PolarHBondContact O-N 3.34Å; P82-I157 HydrophobicContact CB-CD1 4.25Å; P82-I157 HydrophobicContact CB-CG1 3.62Å
83K98.8Very high98.5Very high79 Ų7916.9 Ų16.934%0.34310%0.096SC..  trans-100.4-41.1-177.1-65.9174.6170.6-122.10112.9C81 L104 E106 S107 D156C81-K83 PolarHBondContact O-N 3.27Å; C81-K83 VanDerWaalsContact SG-CE 3.57Å; K83-L104 WeakPolarHBondContact CA-O 3.41Å; K83-E106 HydrophobicContact CB-CB 4.47Å; K83-E106 HydrophobicContact CB-CG 4.26Å; K83-E106 WeakPolarHBondContact CD-OE1 3.2Å; K83-E106 WeakPolarHBondContact CE-OE1 3.28Å; K83-E106 HydrophobicContact CG-CG 4.35Å; K83-E106 IonicContact NZ-OE1 3.4Å; K83-E106 PolarHBondContact NZ-OE1 3.19Å; K83-E106 PolarHBondContact O-N 2.72Å; K83-S107 PolarHBondContact O-N 3.19Å; K83-S107 VanDerWaalsContact O-N 3.09Å; K83-D156 WeakPolarHBondContact CA-OD2 3.19Å; K83-D156 WeakPolarHBondContact CB-OD2 3.46Å; K83-D156 PolarHBondContact N-OD2 3.19Å
84K98.9Very high98.5Very high81 Ų8116.9 Ų16.935%0.35210%0.096SC..EExtended strand (participates in β ladder)trans-113.7117.2-178.9-62.3-164.7176.9-175.30110.5A154 F155 D156 I157K84-A154 VanDerWaalsContact CD-O 3.31Å; K84-A154 WeakPolarHBondContact CD-O 3.48Å; K84-F155 HydrophobicContact CB-CD1 4.38Å; K84-D156 PolarHBondContact N-OD2 3.26Å; K84-D156 PolarHBondContact O-N 2.9Å; K84-I157 PolarHBondContact O-N 3.42Å
85V98.9Very high98.5Very high0 Ų016.9 Ų16.90%010%0.096CC..EExtended strand (participates in β ladder)trans-116.2136.3-178.5-174.50000109.5L76 I87 V99 V105 S107 V108 V109 I157 I159L76-V85 HydrophobicContact CD2-CG2 4.08Å; V85-I87 HydrophobicContact CG1-CG1 4.46Å; V85-V99 HydrophobicContact CB-CG1 4Å; V85-V99 HydrophobicContact CG1-CG1 3.88Å; V85-V99 HydrophobicContact CG1-CG2 4.43Å; V85-V99 HydrophobicContact CG2-CG1 3.92Å; V85-V105 HydrophobicContact CG2-CG1 3.94Å; V85-V105 HydrophobicContact CG2-CG2 3.92Å; V85-S107 PolarHBondContact N-O 2.85Å; V85-V108 HydrophobicContact CB-CG1 4.31Å; V85-V108 HydrophobicContact CB-CG2 4.39Å; V85-V108 HydrophobicContact CG1-CG1 4.49Å; V85-V108 CarbonylContact O-C 3.59Å; V85-V108 VanDerWaalsContact O-CA 3.32Å; V85-V108 WeakPolarHBondContact O-CA 3.41Å; V85-V109 PolarHBondContact O-N 3.26Å; V85-I157 CarbonylContact C-O 3.52Å; V85-I157 WeakPolarHBondContact CA-O 3.48Å; V85-I157 HydrophobicContact CB-CB 4.5Å; V85-I157 HydrophobicContact CG1-CB 4.13Å; V85-I157 HydrophobicContact CG1-CG2 4.12Å; V85-I157 HydrophobicContact CG2-CB 4.16Å; V85-I159 HydrophobicContact CG1-CD1 4.34Å
86L98.9Very high98.5Very high0 Ų017 Ų170%010%0.096CC..EExtended strand (participates in β ladder)trans-108.1135.6166.2176.262000109.2I88 V109 F147 M148 F155 I157 I158 I159L86-I88 HydrophobicContact CD1-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CG1 4.21Å; L86-I88 HydrophobicContact CG-CD1 3.94Å; L86-I88 HydrophobicContact CG-CG1 4.2Å; L86-V109 CarbonylContact C-O 3.55Å; L86-V109 WeakPolarHBondContact CA-O 3.2Å; L86-V109 HydrophobicContact CD1-CB 3.93Å; L86-V109 HydrophobicContact CD1-CG1 3.83Å; L86-F147 HydrophobicContact CD1-CD1 4.19Å; L86-F147 HydrophobicContact CD1-CE1 3.69Å; L86-F147 HydrophobicContact CD2-CD1 4.5Å; L86-F147 HydrophobicContact CD2-CE1 4.38Å; L86-M148 HydrophobicContact CD2-CE 3.66Å; L86-M148 HydrophobicContact CD2-SD 3.87Å; L86-F155 HydrophobicContact CB-CB 4.44Å; L86-F155 HydrophobicContact CB-CD1 3.71Å; L86-F155 HydrophobicContact CB-CD2 3.93Å; L86-F155 HydrophobicContact CB-CE1 3.86Å; L86-F155 HydrophobicContact CB-CE2 4.07Å; L86-F155 HydrophobicContact CB-CG 3.75Å; L86-F155 HydrophobicContact CB-CZ 4.04Å; L86-F155 HydrophobicContact CD1-CZ 4.18Å; L86-F155 HydrophobicContact CD2-CD2 3.91Å; L86-F155 HydrophobicContact CD2-CE2 3.68Å; L86-F155 HydrophobicContact CD2-CZ 4.17Å; L86-F155 HydrophobicContact CG-CE2 4.32Å; L86-F155 HydrophobicContact CG-CZ 4.37Å; L86-I157 PolarHBondContact N-O 3.26Å; L86-I158 HydrophobicContact CB-CG1 4.14Å; L86-I158 HydrophobicContact CD2-CD1 4.34Å; L86-I158 HydrophobicContact CD2-CG1 4.26Å; L86-I158 HydrophobicContact CD2-CG2 4.24Å; L86-I158 HydrophobicContact CG-CG2 4.48Å; L86-I158 CarbonylContact O-C 3.5Å; L86-I158 WeakPolarHBondContact O-CA 3.33Å; L86-I159 PolarHBondContact O-N 2.96Å
87I98.9Very high98.5Very high0 Ų018 Ų180%010%0.1CC..EExtended strand (participates in β ladder)trans-115.7123.6168.3-58.2169000107.1V85 V95 L96 V99 V108 V109 Q110 C111 I159V85-I87 HydrophobicContact CG1-CG1 4.46Å; I87-V95 HydrophobicContact CD1-CG1 4Å; I87-V95 HydrophobicContact CG1-CG1 4.33Å; I87-V95 HydrophobicContact CG2-CG1 4.46Å; I87-L96 HydrophobicContact CD1-CB 3.9Å; I87-L96 HydrophobicContact CD1-CD1 4.13Å; I87-V99 HydrophobicContact CD1-CG2 4.18Å; I87-V108 HydrophobicContact CD1-CG1 3.69Å; I87-V108 HydrophobicContact CG1-CG1 4.06Å; I87-V109 PolarHBondContact N-O 3.18Å; I87-Q110 HydrophobicContact CB-CB 4.27Å; I87-Q110 HydrophobicContact CB-CG 4.03Å; I87-Q110 HydrophobicContact CG2-CG 4.09Å; I87-Q110 CarbonylContact O-C 3.57Å; I87-Q110 VanDerWaalsContact O-CA 3.28Å; I87-Q110 WeakPolarHBondContact O-CA 3.43Å; I87-C111 PolarHBondContact O-N 3.47Å; I87-I159 CarbonylContact C-O 3.52Å; I87-I159 WeakPolarHBondContact CA-O 3.35Å
88I98.6Very high98.5Very high4 Ų418 Ų182%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-102.1127168.5-60.2-57.5000107.7L86 C111 F147 M148 I159 T160 D161 L172 Y177L86-I88 HydrophobicContact CD1-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CG1 4.21Å; L86-I88 HydrophobicContact CG-CD1 3.94Å; L86-I88 HydrophobicContact CG-CG1 4.2Å; I88-C111 HydrophobicContact CD1-CB 3.66Å; I88-F147 HydrophobicContact CD1-CD1 4.33Å; I88-M148 HydrophobicContact CD1-CE 3.99Å; I88-M148 HydrophobicContact CG1-CE 3.63Å; I88-I159 PolarHBondContact N-O 3.45Å; I88-T160 HydrophobicContact CB-CG2 4.37Å; I88-T160 HydrophobicContact CG2-CG2 4.38Å; I88-D161 PolarHBondContact O-N 2.97Å; I88-L172 HydrophobicContact CG2-CD1 4.41Å; I88-L172 HydrophobicContact CG2-CD2 4.46Å; I88-Y177 WeakPolarHBondContact CG1-OH 3.39Å
89G97.6Very high98.5Very high14 Ų1417.8 Ų17.814%0.14410%0.099CC..EExtended strand (participates in β ladder)trans78.7-136.9-17000000112.4G91 Q110 C111 E112 D161G89-G91 PolarHBondContact O-N 2.95Å; G89-Q110 PolarHBondContact O-NE2 3.42Å; G89-C111 PolarHBondContact N-O 2.74Å; G89-E112 WeakPolarHBondContact CA-OE2 3.33Å; G89-D161 WeakPolarHBondContact CA-O 3.34Å
90G97.3Very high98.5Very high5 Ų518.3 Ų18.35%0.05210%0.103CC..  trans63.935.4179.600000114.6D92 G93 Q110 D161G90-D92 PolarHBondContact O-N 3.18Å; G90-G93 PolarHBondContact O-N 2.71Å; G90-Q110 PolarHBondContact O-NE2 2.72Å; G90-D161 WeakPolarHBondContact CA-OD2 3.2Å; G90-D161 PolarHBondContact N-O 3.39Å
91G97.6Very high98.6Very high5 Ų517.3 Ų17.35%0.0529%0.091CC..THydrogen-bonded Turntrans-57-15.9-175.200000115.8G89 E112 S121 F132G89-G91 PolarHBondContact O-N 2.95Å; G91-E112 WeakPolarHBondContact CA-OE2 3.45Å; G91-E112 PolarHBondContact N-OE2 3.18Å; G91-S121 PolarHBondContact O-OG 2.97Å; G91-F132 WeakPolarHBondContact O-CZ 3.29Å
92D98.5Very high98.6Very high13 Ų1315 Ų157%0.077%0.074CC..THydrogen-bonded Turntrans-75.7-23171.76696.5000113.7G90 G94 S121 L125 M128 A129G90-D92 PolarHBondContact O-N 3.18Å; D92-G94 VanDerWaalsContact C-N 3.35Å; D92-G94 VanDerWaalsContact OD1-CA 3.28Å; D92-G94 WeakPolarHBondContact OD1-CA 3.45Å; D92-G94 PolarHBondContact OD1-N 3.25Å; D92-S121 WeakPolarHBondContact CA-OG 3.4Å; D92-L125 HydrophobicContact CB-CD1 4.34Å; D92-M128 HydrophobicContact CB-CB 4.38Å; D92-M128 HydrophobicContact CB-SD 4.37Å; D92-M128 CarbonylContact O-C 3.47Å; D92-A129 WeakPolarHBondContact O-CA 3.34Å; D92-A129 PolarHBondContact O-N 3.36Å; D92-A129 VanDerWaalsContact O-N 3.1Å
93G98.7Very high98.6Very high0 Ų020.2 Ų20.20%011%0.109CC..SBendtrans83.90.917900000115.1G90 L96 R97 M128G90-G93 PolarHBondContact O-N 2.71Å; G93-L96 WeakPolarHBondContact O-CB 3.47Å; G93-L96 PolarHBondContact O-N 3.13Å; G93-R97 PolarHBondContact O-N 3.29Å; G93-M128 CarbonylContact C-O 3.59Å; G93-M128 VanDerWaalsContact O-O 3.09Å
94G98.8Very high98.5Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-68.6-40.5-177.800000113.3Q68 D92 L96 R97 E98Q68-G94 VanDerWaalsContact CG-C 3.44Å; D92-G94 VanDerWaalsContact C-N 3.35Å; D92-G94 VanDerWaalsContact OD1-CA 3.28Å; D92-G94 WeakPolarHBondContact OD1-CA 3.45Å; D92-G94 PolarHBondContact OD1-N 3.25Å; G94-L96 VanDerWaalsContact C-N 3.32Å; G94-L96 PolarHBondContact O-N 3.17Å; G94-R97 WeakPolarHBondContact O-CB 3.41Å; G94-R97 PolarHBondContact O-N 3.22Å; G94-E98 PolarHBondContact O-N 3.49Å; G94-E98 VanDerWaalsContact O-N 3.12Å
95V98.9Very high98.5Very high1 Ų115.7 Ų15.71%0.0069%0.092CC..Hα-helixtrans-62.3-42.7172.41750000110.7Q68 I71 A72 I87 R97 E98 V99 I159 D161Q68-V95 HydrophobicContact CG-CG2 4.17Å; I71-V95 HydrophobicContact CG2-CB 4.45Å; I71-V95 HydrophobicContact CG2-CG1 4.19Å; I71-V95 HydrophobicContact CG2-CG2 3.42Å; I71-V95 VanDerWaalsContact CG2-CG2 3.42Å; A72-V95 HydrophobicContact CB-CG1 4.48Å; I87-V95 HydrophobicContact CD1-CG1 4Å; I87-V95 HydrophobicContact CG1-CG1 4.33Å; I87-V95 HydrophobicContact CG2-CG1 4.46Å; V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 PolarHBondContact O-N 3.22Å; V95-E98 PolarHBondContact O-N 2.94Å; V95-E98 VanDerWaalsContact O-N 3.1Å; V95-V99 HydrophobicContact CG1-CG2 4.12Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.17Å; V95-V99 PolarHBondContact O-N 3.03Å; V95-I159 HydrophobicContact CG1-CD1 4.13Å; V95-I159 HydrophobicContact CG1-CG2 4.05Å; V95-D161 HydrophobicContact CG2-CB 4.22Å; V95-D161 WeakPolarHBondContact CG2-OD2 3.23Å
96L98.9Very high98.5Very high1 Ų121.1 Ų21.11%0.00512%0.117CC..Hα-helixtrans-59.7-43175.9175.563.9000111.6I87 G93 G94 E98 V99 V100 V108 G131 F132 L137I87-L96 HydrophobicContact CD1-CB 3.9Å; I87-L96 HydrophobicContact CD1-CD1 4.13Å; G93-L96 WeakPolarHBondContact O-CB 3.47Å; G93-L96 PolarHBondContact O-N 3.13Å; G94-L96 VanDerWaalsContact C-N 3.32Å; G94-L96 PolarHBondContact O-N 3.17Å; L96-E98 VanDerWaalsContact C-N 3.27Å; L96-E98 PolarHBondContact O-N 3.25Å; L96-V99 PolarHBondContact O-N 3.3Å; L96-V100 HydrophobicContact CD1-CG1 3.76Å; L96-V100 HydrophobicContact CG-CG1 4.42Å; L96-V100 WeakPolarHBondContact O-CG1 3.42Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-V100 PolarHBondContact O-N 3.35Å; L96-V100 VanDerWaalsContact O-N 3.1Å; L96-V108 HydrophobicContact CD1-CB 3.8Å; L96-V108 HydrophobicContact CD1-CG1 3.53Å; L96-V108 HydrophobicContact CD1-CG2 4.16Å; L96-G131 WeakPolarHBondContact CD2-O 3.41Å; L96-F132 HydrophobicContact CD2-CD1 4.2Å; L96-L137 HydrophobicContact CD1-CD1 4.07Å; L96-L137 HydrophobicContact CD2-CB 4.35Å; L96-L137 HydrophobicContact CD2-CD1 3.68Å; L96-L137 HydrophobicContact CD2-CD2 3.69Å; L96-L137 HydrophobicContact CD2-CG 4.09Å
97R98.9Very high98.5Very high21 Ų2123 Ų238%0.07913%0.131CC..Hα-helixtrans-54.8-42.8173.8174-161.772.8-155.1-1.3111.4E64 G93 G94 V95 V100 K101 G127 Q130E64-R97 IonicContact OE1-CZ 2.74Å; E64-R97 IonicContact OE1-NH1 3.38Å; E64-R97 PolarHBondContact OE1-NH1 3.17Å; E64-R97 IonicContact OE1-NH2 2.84Å; E64-R97 PolarHBondContact OE1-NH2 2.92Å; E64-R97 VanDerWaalsContact OE1-NH2 3.13Å; E64-R97 IonicContact OE2-CZ 2.61Å; E64-R97 IonicContact OE2-NH1 3.52Å; E64-R97 PolarHBondContact OE2-NH1 3.21Å; E64-R97 IonicContact OE2-NH2 2.69Å; E64-R97 PolarHBondContact OE2-NH2 3.44Å; G93-R97 PolarHBondContact O-N 3.29Å; G94-R97 WeakPolarHBondContact O-CB 3.41Å; G94-R97 PolarHBondContact O-N 3.22Å; V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 PolarHBondContact O-N 3.22Å; R97-V100 WeakPolarHBondContact O-CG2 3.16Å; R97-K101 WeakPolarHBondContact O-CG 3.44Å; R97-G127 WeakPolarHBondContact CD-O 3.44Å; R97-G127 PolarHBondContact NH1-O 2.92Å; R97-Q130 HydrophobicContact CB-CG 4.2Å; R97-Q130 HydrophobicContact CG-CG 3.73Å
98E98.9Very high98.5Very high1 Ų123 Ų231%0.00513%0.131CC..Hα-helixtrans-71.8-44179.5-64.2-50.913100112.7Q68 E69 A72 G94 V95 L96 V100 K101Q68-E98 HydrophobicContact CB-CG 4.03Å; E69-E98 HydrophobicContact CG-CG 4.26Å; A72-E98 HydrophobicContact CB-CB 3.52Å; G94-E98 PolarHBondContact O-N 3.49Å; G94-E98 VanDerWaalsContact O-N 3.12Å; V95-E98 PolarHBondContact O-N 2.94Å; V95-E98 VanDerWaalsContact O-N 3.1Å; L96-E98 VanDerWaalsContact C-N 3.27Å; L96-E98 PolarHBondContact O-N 3.25Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.95Å; E98-K101 WeakPolarHBondContact O-CB 3.33Å; E98-K101 PolarHBondContact O-N 2.92Å; E98-K101 WeakPolarHBondContact OE1-CE 3.19Å; E98-K101 IonicContact OE1-NZ 2.85Å; E98-K101 PolarHBondContact OE1-NZ 3.23Å; E98-K101 WeakPolarHBondContact OE2-CD 3.39Å; E98-K101 VanDerWaalsContact OE2-CE 3.29Å; E98-K101 WeakPolarHBondContact OE2-CE 3.33Å; E98-K101 IonicContact OE2-NZ 3.25Å; E98-K101 PolarHBondContact OE2-NZ 3.36Å
99V98.9Very high98.5Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-59.2-43.7-179.2170.50000111.3A72 L76 V85 I87 V95 L96 K101 H102 V105 V108 I159A72-V99 HydrophobicContact CB-CG2 4.01Å; L76-V99 HydrophobicContact CD1-CB 4.33Å; L76-V99 HydrophobicContact CD1-CG1 4.36Å; L76-V99 HydrophobicContact CD1-CG2 4.09Å; V85-V99 HydrophobicContact CB-CG1 4Å; V85-V99 HydrophobicContact CG1-CG1 3.88Å; V85-V99 HydrophobicContact CG1-CG2 4.43Å; V85-V99 HydrophobicContact CG2-CG1 3.92Å; I87-V99 HydrophobicContact CD1-CG2 4.18Å; V95-V99 HydrophobicContact CG1-CG2 4.12Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.17Å; V95-V99 PolarHBondContact O-N 3.03Å; L96-V99 PolarHBondContact O-N 3.3Å; V99-K101 PolarHBondContact O-N 3.41Å; V99-H102 PolarHBondContact O-N 3.1Å; V99-V105 HydrophobicContact CG1-CG1 4.12Å; V99-V105 HydrophobicContact CG1-CG2 4.35Å; V99-V108 HydrophobicContact CG1-CG1 4.31Å; V99-V108 HydrophobicContact CG1-CG2 3.59Å; V99-I159 HydrophobicContact CG2-CD1 3.81Å
100V98.8Very high98.6Very high28 Ų2823.4 Ų23.417%0.1713%0.13CC..Hα-helixtrans-72.4-15-173.5-610000114L96 R97 E98 H102 V108 S134 K136L96-V100 HydrophobicContact CD1-CG1 3.76Å; L96-V100 HydrophobicContact CG-CG1 4.42Å; L96-V100 WeakPolarHBondContact O-CG1 3.42Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-V100 PolarHBondContact O-N 3.35Å; L96-V100 VanDerWaalsContact O-N 3.1Å; R97-V100 WeakPolarHBondContact O-CG2 3.16Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.95Å; V100-H102 PolarHBondContact O-N 3.34Å; V100-V108 HydrophobicContact CG1-CG2 3.92Å; V100-S134 WeakPolarHBondContact CG1-OG 3.29Å; V100-K136 HydrophobicContact CB-CD 4.3Å; V100-K136 HydrophobicContact CG1-CB 4.35Å; V100-K136 HydrophobicContact CG1-CD 4.36Å; V100-K136 PolarHBondContact O-NZ 3.4Å; V100-K136 VanDerWaalsContact O-NZ 3.12Å
101K98.6Very high98.6Very high60 Ų6023.2 Ų23.226%0.26113%0.128SC..THydrogen-bonded Turntrans-63.4-25.4172.6-65.5174.4-174.4-1800112.3R97 E98 V99 P103 M262R97-K101 WeakPolarHBondContact O-CG 3.44Å; E98-K101 WeakPolarHBondContact O-CB 3.33Å; E98-K101 PolarHBondContact O-N 2.92Å; E98-K101 WeakPolarHBondContact OE1-CE 3.19Å; E98-K101 IonicContact OE1-NZ 2.85Å; E98-K101 PolarHBondContact OE1-NZ 3.23Å; E98-K101 WeakPolarHBondContact OE2-CD 3.39Å; E98-K101 VanDerWaalsContact OE2-CE 3.29Å; E98-K101 WeakPolarHBondContact OE2-CE 3.33Å; E98-K101 IonicContact OE2-NZ 3.25Å; E98-K101 PolarHBondContact OE2-NZ 3.36Å; V99-K101 PolarHBondContact O-N 3.41Å; K101-P103 WeakPolarHBondContact O-CD 3.42Å; K101-M262 HydrophobicContact CB-CE 3.7Å; K101-M262 HydrophobicContact CB-CG 4.29Å; K101-M262 HydrophobicContact CD-CB 4.16Å; K101-M262 HydrophobicContact CD-CE 4.29Å; K101-M262 WeakPolarHBondContact CD-O 3.34Å; K101-M262 WeakPolarHBondContact CE-O 3.36Å; K101-M262 PolarHBondContact NZ-O 3.14Å
102H98.6Very high98.6Very high1 Ų123.7 Ų23.71%0.00513%0.129CC..  trans-74.4122.1179.5-74.2-101.6000110.7N73 L76 V99 V100 L104 V105 K136 R252 M262N73-H102 PolarHBondContact OD1-CE1 3.36Å; N73-H102 PolarHBondContact OD1-NE2 2.76Å; L76-H102 VanDerWaalsContact CD1-CD2 3.47Å; L76-H102 WeakPolarHBondContact CD1-CD2 3.41Å; V99-H102 PolarHBondContact O-N 3.1Å; V100-H102 PolarHBondContact O-N 3.34Å; H102-L104 VanDerWaalsContact C-N 3.28Å; H102-L104 PolarHBondContact O-N 2.99Å; H102-V105 HydrophobicContact CB-CB 4.36Å; H102-V105 HydrophobicContact CB-CG2 3.73Å; H102-V105 PolarHBondContact O-N 3.34Å; H102-K136 PolarHBondContact O-NZ 2.74Å; H102-R252 PolarHBondContact ND1-NH1 3.1Å; H102-R252 PolarHBondContact ND1-NH2 2.91Å; H102-M262 WeakPolarHBondContact NE2-CE 3.13Å
103P97.5Very high98.5Very high111 Ų11124.8 Ų24.872%0.72113%0.134SC*.THydrogen-bonded Turntrans-68.5-27-177.725.8-33.9000113K101 V105K101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-V105 VanDerWaalsContact C-N 3.27Å; P103-V105 PolarHBondContact O-N 3.42Å
104L98.3Very high98.4Very high64 Ų6424.9 Ų24.934%0.33514%0.135SC..THydrogen-bonded Turntrans-71.3-22177-63179000113.2P82 K83 H102 E106P82-L104 CarbonylContact O-C 3.35Å; P82-L104 VanDerWaalsContact O-C 3.31Å; K83-L104 WeakPolarHBondContact CA-O 3.41Å; H102-L104 VanDerWaalsContact C-N 3.28Å; H102-L104 PolarHBondContact O-N 2.99Å; L104-E106 PolarHBondContact O-N 3.04Å
105V98.8Very high98.4Very high1 Ų129 Ų291%0.00615%0.154CC..  trans-74.1116.7176.7175.60000108.6L76 P82 V85 V99 H102 P103 V108 K136L76-V105 HydrophobicContact CD2-CG2 3.85Å; P82-V105 WeakPolarHBondContact O-CA 3.13Å; P82-V105 WeakPolarHBondContact O-CG2 3.23Å; P82-V105 PolarHBondContact O-N 3.34Å; V85-V105 HydrophobicContact CG2-CG1 3.94Å; V85-V105 HydrophobicContact CG2-CG2 3.92Å; V99-V105 HydrophobicContact CG1-CG1 4.12Å; V99-V105 HydrophobicContact CG1-CG2 4.35Å; H102-V105 HydrophobicContact CB-CB 4.36Å; H102-V105 HydrophobicContact CB-CG2 3.73Å; H102-V105 PolarHBondContact O-N 3.34Å; P103-V105 VanDerWaalsContact C-N 3.27Å; P103-V105 PolarHBondContact O-N 3.42Å; V105-V108 HydrophobicContact CG1-CG2 3.6Å; V105-K136 WeakPolarHBondContact O-CD 3.46Å; V105-K136 WeakPolarHBondContact O-CE 3.47Å; V105-K136 PolarHBondContact O-NZ 3.5Å
106E98.8Very high98.3Very high114 Ų11431 Ų3153%0.53317%0.165SC..  trans-94.7-37.7-178.6-66.3172.8-171.200111.2K83 L104K83-E106 HydrophobicContact CB-CB 4.47Å; K83-E106 HydrophobicContact CB-CG 4.26Å; K83-E106 WeakPolarHBondContact CD-OE1 3.2Å; K83-E106 WeakPolarHBondContact CE-OE1 3.28Å; K83-E106 HydrophobicContact CG-CG 4.35Å; K83-E106 IonicContact NZ-OE1 3.4Å; K83-E106 PolarHBondContact NZ-OE1 3.19Å; K83-E106 PolarHBondContact O-N 2.72Å; L104-E106 PolarHBondContact O-N 3.04Å
107S98.9Very high98.2Very high40 Ų4031.1 Ų31.128%0.2817%0.166SC..EExtended strand (participates in β ladder)trans-145.4140.6179.965.10000112.2K83 V85K83-S107 PolarHBondContact O-N 3.19Å; K83-S107 VanDerWaalsContact O-N 3.09Å; V85-S107 PolarHBondContact N-O 2.85Å
108V98.9Very high98.2Very high0 Ų030.3 Ų30.30%016%0.163CC..EExtended strand (participates in β ladder)trans-121.5123.7173-169.70000108.9V85 I87 L96 V99 V100 V105 K136 L137 T138V85-V108 HydrophobicContact CB-CG1 4.31Å; V85-V108 HydrophobicContact CB-CG2 4.39Å; V85-V108 HydrophobicContact CG1-CG1 4.49Å; V85-V108 CarbonylContact O-C 3.59Å; V85-V108 VanDerWaalsContact O-CA 3.32Å; V85-V108 WeakPolarHBondContact O-CA 3.41Å; I87-V108 HydrophobicContact CD1-CG1 3.69Å; I87-V108 HydrophobicContact CG1-CG1 4.06Å; L96-V108 HydrophobicContact CD1-CB 3.8Å; L96-V108 HydrophobicContact CD1-CG1 3.53Å; L96-V108 HydrophobicContact CD1-CG2 4.16Å; V99-V108 HydrophobicContact CG1-CG1 4.31Å; V99-V108 HydrophobicContact CG1-CG2 3.59Å; V100-V108 HydrophobicContact CG1-CG2 3.92Å; V105-V108 HydrophobicContact CG1-CG2 3.6Å; V108-K136 PolarHBondContact N-O 3.23Å; V108-L137 CarbonylContact O-C 3.57Å; V108-L137 WeakPolarHBondContact O-CA 3.44Å; V108-T138 PolarHBondContact O-N 3.35Å
109V98.9Very high98.2Very high24 Ų2434.6 Ų34.615%0.14519%0.186CC..EExtended strand (participates in β ladder)trans-97.1132.7166.4-179.80000107.3V85 L86 I87 T138 F147 F155V85-V109 PolarHBondContact O-N 3.26Å; L86-V109 CarbonylContact C-O 3.55Å; L86-V109 WeakPolarHBondContact CA-O 3.2Å; L86-V109 HydrophobicContact CD1-CB 3.93Å; L86-V109 HydrophobicContact CD1-CG1 3.83Å; I87-V109 PolarHBondContact N-O 3.18Å; V109-T138 WeakPolarHBondContact CA-O 3.46Å; V109-F147 HydrophobicContact CG1-CE1 4.05Å; V109-F147 HydrophobicContact CG1-CZ 3.71Å; V109-F155 HydrophobicContact CB-CE1 4.11Å; V109-F155 HydrophobicContact CB-CZ 4.44Å; V109-F155 HydrophobicContact CG2-CE1 3.9Å; V109-F155 HydrophobicContact CG2-CZ 4.36Å
110Q98.9Very high98.1Very high1 Ų135 Ų351%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-120.6131.1171-175.3172.6-12.900109.6I87 G89 G90 L137 T138 L139 N140I87-Q110 HydrophobicContact CB-CB 4.27Å; I87-Q110 HydrophobicContact CB-CG 4.03Å; I87-Q110 HydrophobicContact CG2-CG 4.09Å; I87-Q110 CarbonylContact O-C 3.57Å; I87-Q110 VanDerWaalsContact O-CA 3.28Å; I87-Q110 WeakPolarHBondContact O-CA 3.43Å; G89-Q110 PolarHBondContact O-NE2 3.42Å; G90-Q110 PolarHBondContact O-NE2 2.72Å; Q110-L137 HydrophobicContact CB-CD1 3.8Å; Q110-T138 PolarHBondContact N-O 2.86Å; Q110-L139 HydrophobicContact CB-CD1 4.19Å; Q110-L139 HydrophobicContact CG-CD1 4.35Å; Q110-N140 PolarHBondContact O-N 2.86Å
111C98.5Very high98.1Very high1 Ų133.6 Ų33.61%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-116.3106.9174.8-167.80000109.7I87 I88 G89 N140 G142 F147I87-C111 PolarHBondContact O-N 3.47Å; I88-C111 HydrophobicContact CD1-CB 3.66Å; G89-C111 PolarHBondContact N-O 2.74Å; C111-N140 VanDerWaalsContact CA-O 3.3Å; C111-N140 WeakPolarHBondContact CA-O 3.26Å; C111-N140 HydrophobicContact CB-CB 4.48Å; C111-N140 PolarHBondContact SG-ND2 3.27Å; C111-G142 PolarHBondContact SG-O 2.86Å; C111-F147 HydrophobicContact CB-CB 4.44Å; C111-F147 HydrophobicContact CB-CD1 4.19Å; C111-F147 HydrophobicContact CB-CG 4.15Å
112E97.6Very high98.1Very high15 Ų1534.5 Ų34.57%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-114.7133.6178169.351.4-118.300108.8G89 G91 D114 I118 N140 V141 G142G89-E112 WeakPolarHBondContact CA-OE2 3.33Å; G91-E112 WeakPolarHBondContact CA-OE2 3.45Å; G91-E112 PolarHBondContact N-OE2 3.18Å; E112-D114 PolarHBondContact OE1-N 3.01Å; E112-I118 HydrophobicContact CB-CD1 3.91Å; E112-I118 HydrophobicContact CB-CG1 4.23Å; E112-I118 HydrophobicContact CG-CD1 3.75Å; E112-I118 HydrophobicContact CG-CG1 3.62Å; E112-N140 PolarHBondContact N-O 3.21Å; E112-N140 VanDerWaalsContact N-O 3.07Å; E112-V141 CarbonylContact O-C 3.25Å; E112-V141 VanDerWaalsContact O-CA 3.22Å; E112-V141 WeakPolarHBondContact O-CA 3.3Å; E112-G142 CarbonylContact C-O 3.54Å; E112-G142 PolarHBondContact O-N 3.47Å
113I95.9Very high98.1Very high36 Ų3641.3 Ų41.319%0.18521%0.213CC..SBendtrans-77.6-32-174.5-162.6171000111.9F36 G142 D143F36-I113 HydrophobicContact CD1-CD1 3.96Å; F36-I113 HydrophobicContact CD1-CG1 4.05Å; F36-I113 HydrophobicContact CE1-CD1 3.72Å; F36-I113 HydrophobicContact CE1-CG1 3.62Å; F36-I113 HydrophobicContact CE2-CG1 4.33Å; F36-I113 WeakPolarHBondContact CE2-O 3.3Å; F36-I113 HydrophobicContact CZ-CD1 4.38Å; F36-I113 HydrophobicContact CZ-CG1 3.77Å; F36-I113 WeakPolarHBondContact CZ-O 3.4Å; I113-G142 WeakPolarHBondContact CA-O 3.37Å; I113-G142 PolarHBondContact N-O 2.88Å; I113-D143 HydrophobicContact CD1-CB 4.24Å
114D96.4Very high98.2Very high2 Ų237.8 Ų37.81%0.01119%0.186CC..  trans-113.2102.9-169.8-164.3-13000112.5S34 F36 Q37 E112 D116 V117S34-D114 WeakPolarHBondContact CB-OD2 3.35Å; S34-D114 PolarHBondContact OG-OD2 3.5Å; F36-D114 HydrophobicContact CD2-CB 3.86Å; Q37-D114 PolarHBondContact NE2-OD2 3.22Å; E112-D114 PolarHBondContact OE1-N 3.01Å; D114-D116 PolarHBondContact O-N 3.28Å; D114-D116 WeakPolarHBondContact OD1-CB 3.34Å; D114-D116 PolarHBondContact OD1-N 3.45Å; D114-D116 VanDerWaalsContact OD1-N 3.08Å; D114-V117 HydrophobicContact CB-CB 4.36Å; D114-V117 HydrophobicContact CB-CG2 3.83Å; D114-V117 PolarHBondContact O-N 2.96Å
115E97.5Very high98.2Very high86 Ų8634.8 Ų34.840%0.40217%0.17SC..Hα-helixtrans-58.5-28.417767.3-172.3159.400113.3K35 I118 N119 V141K35-E115 IonicContact NZ-OE1 3.29Å; K35-E115 PolarHBondContact NZ-OE1 3.16Å; E115-I118 PolarHBondContact O-N 3.31Å; E115-N119 VanDerWaalsContact O-CG 3.29Å; E115-N119 PolarHBondContact O-N 3.4Å; E115-N119 VanDerWaalsContact O-N 3.08Å; E115-N119 PolarHBondContact O-ND2 2.9Å; E115-N119 VanDerWaalsContact O-ND2 3.09Å; E115-V141 HydrophobicContact CB-CG1 4.1Å
116D97.1Very high98.2Very high44 Ų4438.4 Ų38.424%0.23519%0.193CC..Hα-helixtrans-69.4-37.8-179.2-70.5-16.9000110.6S34 D114 I118 N119 V120S34-D116 WeakPolarHBondContact CB-OD2 3.42Å; D114-D116 PolarHBondContact O-N 3.28Å; D114-D116 WeakPolarHBondContact OD1-CB 3.34Å; D114-D116 PolarHBondContact OD1-N 3.45Å; D114-D116 VanDerWaalsContact OD1-N 3.08Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.85Å; D116-N119 PolarHBondContact O-N 3.04Å; D116-V120 VanDerWaalsContact O-CB 3.23Å; D116-V120 WeakPolarHBondContact O-CB 3.41Å; D116-V120 WeakPolarHBondContact O-CG2 3.46Å; D116-V120 PolarHBondContact O-N 3.23Å
117V98.1Very high98.2Very high4 Ų434.7 Ų34.72%0.02419%0.186CC..Hα-helixtrans-61.5-42.2176.2178.90000110.6V39 L51 L53 D114 S121V39-V117 HydrophobicContact CG2-CG2 4.25Å; L51-V117 HydrophobicContact CD2-CG1 4.25Å; L53-V117 HydrophobicContact CD1-CG2 4.18Å; L53-V117 HydrophobicContact CD2-CG2 3.85Å; D114-V117 HydrophobicContact CB-CB 4.36Å; D114-V117 HydrophobicContact CB-CG2 3.83Å; D114-V117 PolarHBondContact O-N 2.96Å; V117-S121 WeakPolarHBondContact O-CB 3.37Å; V117-S121 PolarHBondContact O-N 3.32Å; V117-S121 PolarHBondContact O-OG 2.58Å
118I98.4Very high98.2Very high4 Ų433 Ų332%0.02117%0.174CC..Hα-helixtrans-61.9-48.2176.7-54.6174.3000110.6E112 E115 D116 S121 K122 F132 L139 V141E112-I118 HydrophobicContact CB-CD1 3.91Å; E112-I118 HydrophobicContact CB-CG1 4.23Å; E112-I118 HydrophobicContact CG-CD1 3.75Å; E112-I118 HydrophobicContact CG-CG1 3.62Å; E115-I118 PolarHBondContact O-N 3.31Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.85Å; I118-S121 PolarHBondContact O-N 3.12Å; I118-K122 HydrophobicContact CG2-CD 4.2Å; I118-K122 WeakPolarHBondContact O-CG 3.33Å; I118-K122 PolarHBondContact O-N 3.03Å; I118-F132 HydrophobicContact CG1-CZ 4.36Å; I118-F132 HydrophobicContact CG2-CD1 4.4Å; I118-F132 HydrophobicContact CG2-CD2 4.49Å; I118-F132 HydrophobicContact CG2-CE1 4.01Å; I118-F132 HydrophobicContact CG2-CE2 4.11Å; I118-F132 HydrophobicContact CG2-CZ 3.86Å; I118-L139 HydrophobicContact CD1-CD1 4.22Å; I118-L139 HydrophobicContact CD1-CD2 4.12Å; I118-V141 HydrophobicContact CD1-CG2 4.11Å
119N98.4Very high98.2Very high91 Ų9133 Ų3349%0.48717%0.174SC..Hα-helixtrans-67.5-43.2-176.1-71.2-33.8000112.1E115 D116 K122 K123E115-N119 VanDerWaalsContact O-CG 3.29Å; E115-N119 PolarHBondContact O-N 3.4Å; E115-N119 VanDerWaalsContact O-N 3.08Å; E115-N119 PolarHBondContact O-ND2 2.9Å; E115-N119 VanDerWaalsContact O-ND2 3.09Å; D116-N119 PolarHBondContact O-N 3.04Å; N119-K122 PolarHBondContact O-N 2.88Å; N119-K123 PolarHBondContact O-N 2.94Å
120V98.3Very high98.1Very high7 Ų737 Ų374%0.04219%0.191CC..Hα-helixtrans-63.6-43.4176.1168.40000110.2Y30 V39 V41 D116 K123 Y124Y30-V120 HydrophobicContact CD1-CG1 4.17Å; Y30-V120 HydrophobicContact CD1-CG2 3.78Å; Y30-V120 HydrophobicContact CD2-CG2 4.25Å; Y30-V120 HydrophobicContact CE1-CG2 3.5Å; Y30-V120 VanDerWaalsContact CE1-CG2 3.5Å; Y30-V120 HydrophobicContact CE2-CG2 3.99Å; Y30-V120 HydrophobicContact CG-CG1 4.46Å; Y30-V120 HydrophobicContact CG-CG2 4.13Å; V39-V120 HydrophobicContact CG1-CG1 4.35Å; V39-V120 HydrophobicContact CG1-CG2 4.42Å; V41-V120 HydrophobicContact CB-CG1 4.37Å; V41-V120 HydrophobicContact CG2-CG1 3.23Å; D116-V120 VanDerWaalsContact O-CB 3.23Å; D116-V120 WeakPolarHBondContact O-CB 3.41Å; D116-V120 WeakPolarHBondContact O-CG2 3.46Å; D116-V120 PolarHBondContact O-N 3.23Å; V120-K123 PolarHBondContact O-N 3.08Å; V120-Y124 HydrophobicContact CG1-CD2 3.94Å; V120-Y124 WeakPolarHBondContact O-CD2 3.1Å; V120-Y124 PolarHBondContact O-N 2.71Å
121S98.7Very high98Very high0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-65.8-42.2178.2-60.50000112.5G91 D92 V117 I118 K123 Y124 L125 A129G91-S121 PolarHBondContact O-OG 2.97Å; D92-S121 WeakPolarHBondContact CA-OG 3.4Å; V117-S121 WeakPolarHBondContact O-CB 3.37Å; V117-S121 PolarHBondContact O-N 3.32Å; V117-S121 PolarHBondContact O-OG 2.58Å; I118-S121 PolarHBondContact O-N 3.12Å; S121-K123 PolarHBondContact O-N 2.86Å; S121-Y124 PolarHBondContact O-N 3.29Å; S121-L125 CarbonylContact O-C 3.47Å; S121-L125 VanDerWaalsContact O-C 3.25Å; S121-L125 VanDerWaalsContact O-CA 3.27Å; S121-L125 WeakPolarHBondContact O-CA 3.41Å; S121-L125 WeakPolarHBondContact O-CB 3.43Å; S121-L125 PolarHBondContact O-N 3.14Å; S121-A129 WeakPolarHBondContact O-CB 3.38Å
122K98.6Very high98Very high79 Ų7937.9 Ų37.934%0.34320%0.195SC..Hα-helixtrans-57-34.5172.7-77172.6-180170.50112.9I118 N119 A129 F132I118-K122 HydrophobicContact CG2-CD 4.2Å; I118-K122 WeakPolarHBondContact O-CG 3.33Å; I118-K122 PolarHBondContact O-N 3.03Å; N119-K122 PolarHBondContact O-N 2.88Å; K122-A129 HydrophobicContact CB-CB 4.44Å; K122-A129 HydrophobicContact CG-CB 4.08Å; K122-F132 HydrophobicContact CG-CD2 4.14Å
123K98.7Very high98Very high143 Ų14344.7 Ų44.762%0.62223%0.225SC*.Hα-helixtrans-83.2-44.1-178.3-174.6174.8176.8-164.80113.2N119 V120 S121N119-K123 PolarHBondContact O-N 2.94Å; V120-K123 PolarHBondContact O-N 3.08Å; S121-K123 PolarHBondContact O-N 2.86Å
124Y98.8Very high98.1Very high38 Ų3844 Ų4415%0.14922%0.223CC..Hα-helixtrans-112.6-10.5-168-59.3-72.6000114.2L29 Y30 V41 N49 V120 S121L29-Y124 HydrophobicContact CB-CD1 3.88Å; L29-Y124 HydrophobicContact CB-CE1 3.77Å; L29-Y124 HydrophobicContact CD1-CD1 4.03Å; L29-Y124 HydrophobicContact CG-CD1 4.49Å; L29-Y124 PolarHBondContact O-OH 3.32Å; Y30-Y124 HydrophobicContact CD2-CE2 4.28Å; Y30-Y124 HydrophobicContact CG-CE2 4.28Å; V41-Y124 HydrophobicContact CG1-CG 4.29Å; N49-Y124 PolarHBondContact ND2-O 2.94Å; V120-Y124 HydrophobicContact CG1-CD2 3.94Å; V120-Y124 WeakPolarHBondContact O-CD2 3.1Å; V120-Y124 PolarHBondContact O-N 2.71Å; S121-Y124 PolarHBondContact O-N 3.29Å
125L98.8Very high98.2Very high0 Ų050.2 Ų50.20%026%0.264CS..  trans-126.951.5178.8-54.6170.5000111N49 L51 E61 D92 S121 G127 M128 A129N49-L125 HydrophobicContact CB-CD2 3.87Å; L51-L125 HydrophobicContact CB-CD1 3.85Å; L51-L125 HydrophobicContact CD2-CD1 4.09Å; L51-L125 HydrophobicContact CG-CD1 4.45Å; E61-L125 HydrophobicContact CG-CD2 4.42Å; D92-L125 HydrophobicContact CB-CD1 4.34Å; S121-L125 CarbonylContact O-C 3.47Å; S121-L125 VanDerWaalsContact O-C 3.25Å; S121-L125 VanDerWaalsContact O-CA 3.27Å; S121-L125 WeakPolarHBondContact O-CA 3.41Å; S121-L125 WeakPolarHBondContact O-CB 3.43Å; S121-L125 PolarHBondContact O-N 3.14Å; L125-G127 PolarHBondContact O-N 3.39Å; L125-G127 VanDerWaalsContact O-N 3.09Å; L125-M128 HydrophobicContact CB-CB 4.5Å; L125-M128 HydrophobicContact CB-CE 3.62Å; L125-M128 HydrophobicContact CD1-CE 3.74Å; L125-M128 HydrophobicContact CD2-CE 3.57Å; L125-M128 HydrophobicContact CG-CE 3.8Å; L125-M128 PolarHBondContact O-N 3.19Å; L125-A129 WeakPolarHBondContact O-CB 3.4Å; L125-A129 PolarHBondContact O-N 3.22Å
126P98.4Very high98.3Very high77 Ų7748.6 Ų48.650%0.526%0.255SS..Hα-helixtrans-60.6-28.7-169.126.4-36000113.5M128 Q130P126-M128 VanDerWaalsContact C-N 3.33Å; P126-M128 PolarHBondContact O-N 3.39Å; P126-Q130 PolarHBondContact O-N 3.32Å
127G98.2Very high98.4Very high37 Ų3748 Ų4838%0.38125%0.252SS..Hα-helixtrans-68.4-27.1176.600000114.4R97 L125 Q130R97-G127 WeakPolarHBondContact CD-O 3.44Å; R97-G127 PolarHBondContact NH1-O 2.92Å; L125-G127 PolarHBondContact O-N 3.39Å; L125-G127 VanDerWaalsContact O-N 3.09Å; G127-Q130 PolarHBondContact O-NE2 3.4Å
128M98.7Very high98.4Very high3 Ų352.1 Ų52.12%0.01528%0.277CS..Hα-helixtrans-89.4-49.5173.3-70.1179.7-75.400109.9C59 E64 D92 G93 L125 P126 Q130 G131C59-M128 HydrophobicContact CB-CE 4.28Å; C59-M128 HydrophobicContact CB-SD 4.06Å; C59-M128 WeakPolarHBondContact SG-CE 3.46Å; E64-M128 HydrophobicContact CB-SD 3.69Å; E64-M128 HydrophobicContact CG-CG 4.02Å; E64-M128 HydrophobicContact CG-SD 3.62Å; D92-M128 HydrophobicContact CB-CB 4.38Å; D92-M128 HydrophobicContact CB-SD 4.37Å; D92-M128 CarbonylContact O-C 3.47Å; G93-M128 CarbonylContact C-O 3.59Å; G93-M128 VanDerWaalsContact O-O 3.09Å; L125-M128 HydrophobicContact CB-CB 4.5Å; L125-M128 HydrophobicContact CB-CE 3.62Å; L125-M128 HydrophobicContact CD1-CE 3.74Å; L125-M128 HydrophobicContact CD2-CE 3.57Å; L125-M128 HydrophobicContact CG-CE 3.8Å; L125-M128 PolarHBondContact O-N 3.19Å; P126-M128 VanDerWaalsContact C-N 3.33Å; P126-M128 PolarHBondContact O-N 3.39Å; M128-Q130 PolarHBondContact O-N 3.08Å; M128-G131 PolarHBondContact O-N 2.89Å
129A98.6Very high98.4Very high1 Ų155 Ų551%0.00829%0.292CS..Hα-helixtrans-65.8-7.5-175.600000114.9D92 S121 K122 L125 G131 F132D92-A129 WeakPolarHBondContact O-CA 3.34Å; D92-A129 PolarHBondContact O-N 3.36Å; D92-A129 VanDerWaalsContact O-N 3.1Å; S121-A129 WeakPolarHBondContact O-CB 3.38Å; K122-A129 HydrophobicContact CB-CB 4.44Å; K122-A129 HydrophobicContact CG-CB 4.08Å; L125-A129 WeakPolarHBondContact O-CB 3.4Å; L125-A129 PolarHBondContact O-N 3.22Å; A129-G131 PolarHBondContact O-N 2.75Å; A129-G131 VanDerWaalsContact O-N 3.13Å; A129-F132 HydrophobicContact CB-CD2 3.95Å; A129-F132 HydrophobicContact CB-CE2 4.34Å; A129-F132 WeakPolarHBondContact O-CB 3.2Å; A129-F132 WeakPolarHBondContact O-CD2 3.38Å; A129-F132 PolarHBondContact O-N 3.14Å
130Q97.5Very high98.4Very high109 Ų10953.5 Ų53.551%0.50928%0.284SS..G310 helixtrans-56-26.4172.569.9179-49.300113R97 P126 G127 M128 F132 F133R97-Q130 HydrophobicContact CB-CG 4.2Å; R97-Q130 HydrophobicContact CG-CG 3.73Å; P126-Q130 PolarHBondContact O-N 3.32Å; G127-Q130 PolarHBondContact O-NE2 3.4Å; M128-Q130 PolarHBondContact O-N 3.08Å; Q130-F132 PolarHBondContact O-N 3.36Å; Q130-F133 PolarHBondContact O-N 3.38Å
131G96.9Very high98.4Very high2 Ų256.7 Ų56.72%0.02130%0.304CS..G310 helixtrans-55.1-36.2174.100000112.9L96 M128 A129 F133 S134L96-G131 WeakPolarHBondContact CD2-O 3.41Å; M128-G131 PolarHBondContact O-N 2.89Å; A129-G131 PolarHBondContact O-N 2.75Å; A129-G131 VanDerWaalsContact O-N 3.13Å; G131-F133 PolarHBondContact O-N 2.95Å; G131-F133 VanDerWaalsContact O-N 3.09Å; G131-S134 VanDerWaalsContact O-CB 3.3Å; G131-S134 WeakPolarHBondContact O-CB 3.35Å; G131-S134 PolarHBondContact O-N 3.13Å
132F98.6Very high98.3Very high18 Ų1857.7 Ų57.78%0.07931%0.314CS..G310 helixtrans-64.3-15.5-178-69.5-66.3000114.5G91 L96 I118 K122 A129 Q130 L137 L139G91-F132 WeakPolarHBondContact O-CZ 3.29Å; L96-F132 HydrophobicContact CD2-CD1 4.2Å; I118-F132 HydrophobicContact CG1-CZ 4.36Å; I118-F132 HydrophobicContact CG2-CD1 4.4Å; I118-F132 HydrophobicContact CG2-CD2 4.49Å; I118-F132 HydrophobicContact CG2-CE1 4.01Å; I118-F132 HydrophobicContact CG2-CE2 4.11Å; I118-F132 HydrophobicContact CG2-CZ 3.86Å; K122-F132 HydrophobicContact CG-CD2 4.14Å; A129-F132 HydrophobicContact CB-CD2 3.95Å; A129-F132 HydrophobicContact CB-CE2 4.34Å; A129-F132 WeakPolarHBondContact O-CB 3.2Å; A129-F132 WeakPolarHBondContact O-CD2 3.38Å; A129-F132 PolarHBondContact O-N 3.14Å; Q130-F132 PolarHBondContact O-N 3.36Å; F132-L137 HydrophobicContact CB-CD2 4.49Å; F132-L137 HydrophobicContact CD1-CD2 3.95Å; F132-L139 HydrophobicContact CD1-CD2 4.46Å; F132-L139 HydrophobicContact CE1-CD1 4.13Å
133F97.8Very high98Very high158 Ų15857.2 Ų57.269%0.69332%0.315SS*.G310 helixtrans-94.73.4178.4-54.7-78.8000113.1Q130 G131Q130-F133 PolarHBondContact O-N 3.38Å; G131-F133 PolarHBondContact O-N 2.95Å; G131-F133 VanDerWaalsContact O-N 3.09Å
134S98.5Very high97.8Very high21 Ų2150.8 Ų50.815%0.14729%0.289CS..  trans-66.9133.5176.4179.80000111.4V100 G131 K136 L137V100-S134 WeakPolarHBondContact CG1-OG 3.29Å; G131-S134 VanDerWaalsContact O-CB 3.3Å; G131-S134 WeakPolarHBondContact O-CB 3.35Å; G131-S134 PolarHBondContact O-N 3.13Å; S134-K136 PolarHBondContact O-N 3.13Å; S134-K136 VanDerWaalsContact O-N 3.15Å; S134-K136 PolarHBondContact OG-N 3.45Å; S134-L137 WeakPolarHBondContact O-CB 3.43Å; S134-L137 PolarHBondContact O-N 2.82Å
135P98.4Very high97.5Very high132 Ų13250.6 Ų50.686%0.85729%0.29SS*.THydrogen-bonded Turntrans-68.4-10.5174.530.6-36.4000113L137P135-L137 VanDerWaalsContact C-N 3.31Å
136K98.7Very high97.3Very high53 Ų5354.7 Ų54.723%0.2331%0.309CS..THydrogen-bonded Turntrans-79.8-13.3176.3-57.6-178.8-179.3-178.10112.6V100 H102 V105 V108 S134V100-K136 HydrophobicContact CB-CD 4.3Å; V100-K136 HydrophobicContact CG1-CB 4.35Å; V100-K136 HydrophobicContact CG1-CD 4.36Å; V100-K136 PolarHBondContact O-NZ 3.4Å; V100-K136 VanDerWaalsContact O-NZ 3.12Å; H102-K136 PolarHBondContact O-NZ 2.74Å; V105-K136 WeakPolarHBondContact O-CD 3.46Å; V105-K136 WeakPolarHBondContact O-CE 3.47Å; V105-K136 PolarHBondContact O-NZ 3.5Å; V108-K136 PolarHBondContact N-O 3.23Å; S134-K136 PolarHBondContact O-N 3.13Å; S134-K136 VanDerWaalsContact O-N 3.15Å; S134-K136 PolarHBondContact OG-N 3.45Å
137L98.9Very high97.2Very high32 Ų3252.1 Ų52.117%0.16829%0.29CS..EExtended strand (participates in β ladder)trans-80.5133.7-172.8176.265.1000112.4L96 V108 Q110 F132 S134 P135 L139L96-L137 HydrophobicContact CD1-CD1 4.07Å; L96-L137 HydrophobicContact CD2-CB 4.35Å; L96-L137 HydrophobicContact CD2-CD1 3.68Å; L96-L137 HydrophobicContact CD2-CD2 3.69Å; L96-L137 HydrophobicContact CD2-CG 4.09Å; V108-L137 CarbonylContact O-C 3.57Å; V108-L137 WeakPolarHBondContact O-CA 3.44Å; Q110-L137 HydrophobicContact CB-CD1 3.8Å; F132-L137 HydrophobicContact CB-CD2 4.49Å; F132-L137 HydrophobicContact CD1-CD2 3.95Å; S134-L137 WeakPolarHBondContact O-CB 3.43Å; S134-L137 PolarHBondContact O-N 2.82Å; P135-L137 VanDerWaalsContact C-N 3.31Å; L137-L139 HydrophobicContact CD2-CB 4.11Å; L137-L139 HydrophobicContact CG-CB 4.28Å
138T98.8Very high97.1Very high90 Ų9050.4 Ų50.455%0.55227%0.272SS*.EExtended strand (participates in β ladder)trans-114.4114.2153.9-59.20000108.6V108 V109 Q110V108-T138 PolarHBondContact O-N 3.35Å; V109-T138 WeakPolarHBondContact CA-O 3.46Å; Q110-T138 PolarHBondContact N-O 2.86Å
139L98.7Very high97Very high64 Ų6455.2 Ų55.234%0.33529%0.292SS..EExtended strand (participates in β ladder)trans-95127.2-178.8-17763.3000110.6Q110 I118 F132 L137Q110-L139 HydrophobicContact CB-CD1 4.19Å; Q110-L139 HydrophobicContact CG-CD1 4.35Å; I118-L139 HydrophobicContact CD1-CD1 4.22Å; I118-L139 HydrophobicContact CD1-CD2 4.12Å; F132-L139 HydrophobicContact CD1-CD2 4.46Å; F132-L139 HydrophobicContact CE1-CD1 4.13Å; L137-L139 HydrophobicContact CD2-CB 4.11Å; L137-L139 HydrophobicContact CG-CB 4.28Å
140N98.4Very high96.9Very high59 Ų5962.1 Ų62.132%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-114127.8170.3-174.873.1000109.1Q110 C111 E112 F147Q110-N140 PolarHBondContact O-N 2.86Å; C111-N140 VanDerWaalsContact CA-O 3.3Å; C111-N140 WeakPolarHBondContact CA-O 3.26Å; C111-N140 HydrophobicContact CB-CB 4.48Å; C111-N140 PolarHBondContact SG-ND2 3.27Å; E112-N140 PolarHBondContact N-O 3.21Å; E112-N140 VanDerWaalsContact N-O 3.07Å; N140-F147 HydrophobicContact CB-CD2 4.39Å; N140-F147 HydrophobicContact CB-CE2 4.1Å; N140-F147 WeakPolarHBondContact ND2-CD2 3.28Å
141V98.2Very high96.8Very high75 Ų7558.5 Ų58.546%0.45531%0.309SS..EExtended strand (participates in β ladder)trans-97.2113171.3-179.60000108.1E112 E115 I118E112-V141 CarbonylContact O-C 3.25Å; E112-V141 VanDerWaalsContact O-CA 3.22Å; E112-V141 WeakPolarHBondContact O-CA 3.3Å; E115-V141 HydrophobicContact CB-CG1 4.1Å; I118-V141 HydrophobicContact CD1-CG2 4.11Å
142G95.8Very high96.9Very high21 Ų2165.8 Ų65.822%0.21634%0.342CS..SBendtrans166.5176.6-17800000114.2C111 E112 I113 G144C111-G142 PolarHBondContact SG-O 2.86Å; E112-G142 CarbonylContact C-O 3.54Å; E112-G142 PolarHBondContact O-N 3.47Å; I113-G142 WeakPolarHBondContact CA-O 3.37Å; I113-G142 PolarHBondContact N-O 2.88Å; G142-G144 PolarHBondContact O-N 3Å
143D93.5Very high96.9Very high68 Ų6869.5 Ų69.536%0.36436%0.363SS..  trans-66.1121179.6-175.6-45.5000111.1I113 F145 E146 F147I113-D143 HydrophobicContact CD1-CB 4.24Å; D143-F145 VanDerWaalsContact C-N 3.35Å; D143-F145 PolarHBondContact O-N 2.74Å; D143-F145 WeakPolarHBondContact OD1-CA 3.34Å; D143-F145 WeakPolarHBondContact OD1-CB 3.39Å; D143-F145 PolarHBondContact OD1-N 2.83Å; D143-E146 HydrophobicContact CB-CB 4.21Å; D143-E146 HydrophobicContact CB-CG 4.23Å; D143-E146 PolarHBondContact O-N 3.09Å; D143-E146 PolarHBondContact OD1-N 3.03Å; D143-E146 VanDerWaalsContact OD1-N 3.12Å; D143-F147 WeakPolarHBondContact O-CB 3.19Å; D143-F147 PolarHBondContact O-N 2.69Å
144G93.1Very high96.9Very high8 Ų863 Ų638%0.08234%0.338CS..Hα-helixtrans-66.4-30.9-179.400000114.5G142 M148G142-G144 PolarHBondContact O-N 3Å; G144-M148 WeakPolarHBondContact O-CB 3.5Å; G144-M148 PolarHBondContact O-N 2.88Å
145F92.4Very high96.9Very high35 Ų3562.4 Ų62.415%0.15433%0.333CS..Hα-helixtrans-68.1-45.6175.4-172.2-84.1000110.6D143 M148 K149 Y177 L180D143-F145 VanDerWaalsContact C-N 3.35Å; D143-F145 PolarHBondContact O-N 2.74Å; D143-F145 WeakPolarHBondContact OD1-CA 3.34Å; D143-F145 WeakPolarHBondContact OD1-CB 3.39Å; D143-F145 PolarHBondContact OD1-N 2.83Å; F145-M148 WeakPolarHBondContact O-CB 3.46Å; F145-M148 PolarHBondContact O-N 2.86Å; F145-K149 PolarHBondContact O-N 2.93Å; F145-Y177 AromaticContact CD2-CD2 3.55Å; F145-Y177 HydrophobicContact CD2-CD2 3.55Å; F145-Y177 HydrophobicContact CD2-CG 4.12Å; F145-Y177 HydrophobicContact CE2-CD2 4.18Å; F145-Y177 HydrophobicContact CE2-CG 4.45Å; F145-Y177 HydrophobicContact CG-CD2 4.35Å; F145-L180 HydrophobicContact CD1-CD1 4.17Å; F145-L180 HydrophobicContact CD2-CD1 4.22Å; F145-L180 HydrophobicContact CE1-CD1 3.84Å; F145-L180 HydrophobicContact CE2-CD1 3.9Å; F145-L180 HydrophobicContact CG-CD1 4.34Å; F145-L180 HydrophobicContact CZ-CD1 3.68Å
146E94.3Very high96.9Very high86 Ų8656.8 Ų56.840%0.40230%0.296SS..Hα-helixtrans-68.1-36.9174.8-65.9-54.5138.300112.3D143 M148 K149D143-E146 HydrophobicContact CB-CB 4.21Å; D143-E146 HydrophobicContact CB-CG 4.23Å; D143-E146 PolarHBondContact O-N 3.09Å; D143-E146 PolarHBondContact OD1-N 3.03Å; D143-E146 VanDerWaalsContact OD1-N 3.12Å; E146-M148 VanDerWaalsContact C-N 3.29Å; E146-M148 PolarHBondContact O-N 3.47Å; E146-K149 PolarHBondContact O-N 3.48Å; E146-K149 IonicContact OE1-NZ 2.77Å; E146-K149 PolarHBondContact OE1-NZ 2.86Å; E146-K149 WeakPolarHBondContact OE2-CD 3.27Å; E146-K149 IonicContact OE2-NZ 3.54Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å
147F96.7Very high96.9Very high23 Ų2354.3 Ų54.310%0.10129%0.285CS..Hα-helixtrans-61.1-39.9173.5-173.1-93.1000111.4L86 I88 V109 C111 N140 D143 K149 Q150 N151 F155L86-F147 HydrophobicContact CD1-CD1 4.19Å; L86-F147 HydrophobicContact CD1-CE1 3.69Å; L86-F147 HydrophobicContact CD2-CD1 4.5Å; L86-F147 HydrophobicContact CD2-CE1 4.38Å; I88-F147 HydrophobicContact CD1-CD1 4.33Å; V109-F147 HydrophobicContact CG1-CE1 4.05Å; V109-F147 HydrophobicContact CG1-CZ 3.71Å; C111-F147 HydrophobicContact CB-CB 4.44Å; C111-F147 HydrophobicContact CB-CD1 4.19Å; C111-F147 HydrophobicContact CB-CG 4.15Å; N140-F147 HydrophobicContact CB-CD2 4.39Å; N140-F147 HydrophobicContact CB-CE2 4.1Å; N140-F147 WeakPolarHBondContact ND2-CD2 3.28Å; D143-F147 WeakPolarHBondContact O-CB 3.19Å; D143-F147 PolarHBondContact O-N 2.69Å; F147-K149 VanDerWaalsContact C-N 3.27Å; F147-K149 PolarHBondContact O-N 2.84Å; F147-Q150 WeakPolarHBondContact O-CB 3.35Å; F147-Q150 PolarHBondContact O-N 2.79Å; F147-Q150 VanDerWaalsContact O-N 3.07Å; F147-N151 WeakPolarHBondContact CE1-ND2 3.34Å; F147-N151 PolarHBondContact O-ND2 3.1Å; F147-F155 HydrophobicContact CE1-CZ 4.49Å
148M96.3Very high97Very high1 Ų152.8 Ų52.81%0.00528%0.277CS..Hα-helixtrans-60.7-36.3179.6-157.765.564.300112.3L86 I88 G144 F145 E146 Q150 N151 I158 Y177 L180 M181 A184L86-M148 HydrophobicContact CD2-CE 3.66Å; L86-M148 HydrophobicContact CD2-SD 3.87Å; I88-M148 HydrophobicContact CD1-CE 3.99Å; I88-M148 HydrophobicContact CG1-CE 3.63Å; G144-M148 WeakPolarHBondContact O-CB 3.5Å; G144-M148 PolarHBondContact O-N 2.88Å; F145-M148 WeakPolarHBondContact O-CB 3.46Å; F145-M148 PolarHBondContact O-N 2.86Å; E146-M148 VanDerWaalsContact C-N 3.29Å; E146-M148 PolarHBondContact O-N 3.47Å; M148-Q150 PolarHBondContact O-N 2.99Å; M148-N151 PolarHBondContact O-N 2.8Å; M148-I158 HydrophobicContact CE-CD1 4.45Å; M148-I158 HydrophobicContact CE-CG2 4.11Å; M148-I158 HydrophobicContact SD-CD1 3.92Å; M148-Y177 HydrophobicContact CB-CE2 4.34Å; M148-Y177 HydrophobicContact CE-CE2 3.91Å; M148-Y177 HydrophobicContact CG-CE2 4.45Å; M148-L180 HydrophobicContact CB-CB 3.97Å; M148-L180 HydrophobicContact CB-CD1 4.35Å; M148-L180 HydrophobicContact CG-CB 3.46Å; M148-L180 VanDerWaalsContact CG-CB 3.46Å; M148-M181 HydrophobicContact CE-CG 3.79Å; M148-M181 HydrophobicContact CG-CG 4.42Å; M148-M181 HydrophobicContact SD-CG 4.1Å; M148-A184 HydrophobicContact CG-CB 4.29Å; M148-A184 HydrophobicContact SD-CB 3.53Å; M148-A184 VanDerWaalsContact SD-CB 3.53Å
149K96.2Very high97Very high103 Ų10348.5 Ų48.545%0.44825%0.251SS..Hα-helixtrans-63-22.9177.2-62.8177.9-1691660113.9F145 E146 F147 N151 L180F145-K149 PolarHBondContact O-N 2.93Å; E146-K149 PolarHBondContact O-N 3.48Å; E146-K149 IonicContact OE1-NZ 2.77Å; E146-K149 PolarHBondContact OE1-NZ 2.86Å; E146-K149 WeakPolarHBondContact OE2-CD 3.27Å; E146-K149 IonicContact OE2-NZ 3.54Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å; F147-K149 VanDerWaalsContact C-N 3.27Å; F147-K149 PolarHBondContact O-N 2.84Å; K149-N151 VanDerWaalsContact C-N 3.3Å; K149-L180 HydrophobicContact CG-CD1 3.82Å; K149-L180 HydrophobicContact CG-CD2 3.81Å; K149-L180 HydrophobicContact CG-CG 4.49Å
150Q96.6Very high97Very high146 Ų14645.5 Ų45.568%0.68224%0.235SC*.THydrogen-bonded Turntrans-86.3-4.7-177-58.6172.324.800112.5F147 M148F147-Q150 WeakPolarHBondContact O-CB 3.35Å; F147-Q150 PolarHBondContact O-N 2.79Å; F147-Q150 VanDerWaalsContact O-N 3.07Å; M148-Q150 PolarHBondContact O-N 2.99Å
151N96.9Very high96.9Very high33 Ų3343.5 Ų43.518%0.17622%0.224CC..  trans-122.2133.1-171.8-68.8-85.5000111.4F147 M148 K149 A154 F155 A184F147-N151 WeakPolarHBondContact CE1-ND2 3.34Å; F147-N151 PolarHBondContact O-ND2 3.1Å; M148-N151 PolarHBondContact O-N 2.8Å; K149-N151 VanDerWaalsContact C-N 3.3Å; N151-A154 HydrophobicContact CB-CB 4.3Å; N151-F155 HydrophobicContact CB-CE2 3.82Å; N151-A184 HydrophobicContact CB-CB 4.09Å; N151-A184 WeakPolarHBondContact O-CA 3.44Å
152Q98Very high96.6Very high156 Ų15640.7 Ų40.773%0.72921%0.208SC*.SBendtrans-140.3133.8176-176.6173.933.100109.2A154 T183Q152-A154 PolarHBondContact O-N 3.13Å; Q152-A154 VanDerWaalsContact O-N 3.12Å; Q152-T183 WeakPolarHBondContact CA-O 3.05Å; Q152-T183 HydrophobicContact CB-CG2 4.22Å; Q152-T183 HydrophobicContact CG-CG2 3.84Å
153D98.1Very high96.2Very high96 Ų9641.2 Ų41.251%0.51321%0.208SC..SBendtrans5136.7178-163.648.4000113.4T183 A184 R186 D187D153-T183 PolarHBondContact N-O 2.78Å; D153-A184 PolarHBondContact N-O 3.12Å; D153-R186 VanDerWaalsContact C-CG 3.44Å; D153-R186 WeakPolarHBondContact O-CG 3.28Å; D153-R186 PolarHBondContact O-NE 2.96Å; D153-R186 WeakPolarHBondContact OD1-CA 3.47Å; D153-D187 PolarHBondContact OD1-N 2.84Å
154A98.5Very high95.8Very high21 Ų2138.7 Ų38.717%0.17420%0.195CC..  trans-103-34.3-166.200000113.5K84 N151 Q152 A184 R186K84-A154 VanDerWaalsContact CD-O 3.31Å; K84-A154 WeakPolarHBondContact CD-O 3.48Å; N151-A154 HydrophobicContact CB-CB 4.3Å; Q152-A154 PolarHBondContact O-N 3.13Å; Q152-A154 VanDerWaalsContact O-N 3.12Å; A154-A184 PolarHBondContact N-O 3.38Å; A154-R186 PolarHBondContact O-NE 3.4Å
155F98.9Very high95.4Very high9 Ų939.7 Ų39.74%0.03920%0.2CC..EExtended strand (participates in β ladder)trans-122.3139.5-167.5-55.9-72.6000112.9K84 L86 V109 F147 N151 I158 A184 L185 R186K84-F155 HydrophobicContact CB-CD1 4.38Å; L86-F155 HydrophobicContact CB-CB 4.44Å; L86-F155 HydrophobicContact CB-CD1 3.71Å; L86-F155 HydrophobicContact CB-CD2 3.93Å; L86-F155 HydrophobicContact CB-CE1 3.86Å; L86-F155 HydrophobicContact CB-CE2 4.07Å; L86-F155 HydrophobicContact CB-CG 3.75Å; L86-F155 HydrophobicContact CB-CZ 4.04Å; L86-F155 HydrophobicContact CD1-CZ 4.18Å; L86-F155 HydrophobicContact CD2-CD2 3.91Å; L86-F155 HydrophobicContact CD2-CE2 3.68Å; L86-F155 HydrophobicContact CD2-CZ 4.17Å; L86-F155 HydrophobicContact CG-CE2 4.32Å; L86-F155 HydrophobicContact CG-CZ 4.37Å; V109-F155 HydrophobicContact CB-CE1 4.11Å; V109-F155 HydrophobicContact CB-CZ 4.44Å; V109-F155 HydrophobicContact CG2-CE1 3.9Å; V109-F155 HydrophobicContact CG2-CZ 4.36Å; F147-F155 HydrophobicContact CE1-CZ 4.49Å; N151-F155 HydrophobicContact CB-CE2 3.82Å; F155-I158 HydrophobicContact CB-CG1 3.99Å; F155-I158 HydrophobicContact CD2-CD1 4.45Å; F155-I158 HydrophobicContact CD2-CG1 4.43Å; F155-I158 HydrophobicContact CG-CG1 4.47Å; F155-A184 HydrophobicContact CD2-CB 4.38Å; F155-A184 PolarHBondContact N-O 2.74Å; F155-L185 CarbonylContact O-C 3.49Å; F155-L185 WeakPolarHBondContact O-CA 3.18Å; F155-R186 WeakPolarHBondContact O-CB 3.23Å; F155-R186 PolarHBondContact O-N 3.45Å
156D98.9Very high94.8Very high14 Ų1441.7 Ų41.78%0.07522%0.215CC..EExtended strand (participates in β ladder)trans-80.3-36.2172.2-49.9-47000109.9K83 K84 R186 G189 I190K83-D156 WeakPolarHBondContact CA-OD2 3.19Å; K83-D156 WeakPolarHBondContact CB-OD2 3.46Å; K83-D156 PolarHBondContact N-OD2 3.19Å; K84-D156 PolarHBondContact N-OD2 3.26Å; K84-D156 PolarHBondContact O-N 2.9Å; D156-R186 WeakPolarHBondContact OD1-CD 3.22Å; D156-R186 IonicContact OD1-CZ 3.87Å; D156-R186 IonicContact OD1-NE 3.88Å; D156-R186 IonicContact OD1-NH1 3.63Å; D156-R186 PolarHBondContact OD1-NH1 2.95Å; D156-R186 IonicContact OD2-NH1 2.73Å; D156-G189 CarbonylContact O-C 3.31Å; D156-G189 WeakPolarHBondContact O-CA 3.16Å; D156-I190 PolarHBondContact O-N 2.78Å
157I98.9Very high94.1Very high0 Ų039.9 Ų39.90%022%0.219CC..EExtended strand (participates in β ladder)trans-127.7136.6176.5-56.7-62.5000110.6P75 L76 H79 P82 K84 V85 L86 I159 I190P75-I157 HydrophobicContact CB-CD1 4.22Å; P75-I157 HydrophobicContact CB-CG2 3.94Å; P75-I157 HydrophobicContact CG-CG2 4.18Å; L76-I157 HydrophobicContact CD2-CG1 4.09Å; H79-I157 HydrophobicContact CB-CD1 3.62Å; P82-I157 HydrophobicContact CB-CD1 4.25Å; P82-I157 HydrophobicContact CB-CG1 3.62Å; K84-I157 PolarHBondContact O-N 3.42Å; V85-I157 CarbonylContact C-O 3.52Å; V85-I157 WeakPolarHBondContact CA-O 3.48Å; V85-I157 HydrophobicContact CB-CB 4.5Å; V85-I157 HydrophobicContact CG1-CB 4.13Å; V85-I157 HydrophobicContact CG1-CG2 4.12Å; V85-I157 HydrophobicContact CG2-CB 4.16Å; L86-I157 PolarHBondContact N-O 3.26Å; I157-I159 HydrophobicContact CG2-CD1 4.27Å; I157-I159 HydrophobicContact CG2-CG1 3.97Å; I157-I190 CarbonylContact C-O 3.58Å; I157-I190 VanDerWaalsContact CA-O 3.26Å; I157-I190 WeakPolarHBondContact CA-O 3.46Å; I157-I190 HydrophobicContact CD1-CB 3.78Å; I157-I190 HydrophobicContact CD1-CG2 4.27Å
158I98.9Very high93.1Very high0 Ų041.2 Ų41.20%023%0.23CC..EExtended strand (participates in β ladder)trans-118.6127.7164.8-60.7178.6000108.9L86 M148 F155 M181 A184 L185 I190 L191 C192L86-I158 HydrophobicContact CB-CG1 4.14Å; L86-I158 HydrophobicContact CD2-CD1 4.34Å; L86-I158 HydrophobicContact CD2-CG1 4.26Å; L86-I158 HydrophobicContact CD2-CG2 4.24Å; L86-I158 HydrophobicContact CG-CG2 4.48Å; L86-I158 CarbonylContact O-C 3.5Å; L86-I158 WeakPolarHBondContact O-CA 3.33Å; M148-I158 HydrophobicContact CE-CD1 4.45Å; M148-I158 HydrophobicContact CE-CG2 4.11Å; M148-I158 HydrophobicContact SD-CD1 3.92Å; F155-I158 HydrophobicContact CB-CG1 3.99Å; F155-I158 HydrophobicContact CD2-CD1 4.45Å; F155-I158 HydrophobicContact CD2-CG1 4.43Å; F155-I158 HydrophobicContact CG-CG1 4.47Å; I158-M181 HydrophobicContact CD1-CB 4.22Å; I158-M181 HydrophobicContact CD1-CG 4.37Å; I158-M181 HydrophobicContact CG2-CG 4.23Å; I158-M181 HydrophobicContact CG2-SD 3.97Å; I158-A184 HydrophobicContact CD1-CB 3.84Å; I158-L185 HydrophobicContact CB-CD2 4.23Å; I158-L185 HydrophobicContact CD1-CD2 3.88Å; I158-L185 HydrophobicContact CD1-CG 3.73Å; I158-L185 HydrophobicContact CG1-CD2 3.63Å; I158-L185 HydrophobicContact CG1-CG 4.07Å; I158-I190 PolarHBondContact N-O 2.82Å; I158-L191 HydrophobicContact CB-CB 4.3Å; I158-L191 CarbonylContact O-C 3.49Å; I158-L191 WeakPolarHBondContact O-CA 3.37Å; I158-C192 PolarHBondContact O-N 3.29Å
159I98.9Very high92.4Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-112.6127172-65.6162.8000108.4I71 P75 V85 L86 I87 I88 V95 V99 I157 D161 C192I71-I159 HydrophobicContact CD1-CG2 3.99Å; I71-I159 HydrophobicContact CG1-CG2 3.86Å; P75-I159 HydrophobicContact CG-CD1 4.25Å; P75-I159 HydrophobicContact CG-CG1 4.1Å; V85-I159 HydrophobicContact CG1-CD1 4.34Å; L86-I159 PolarHBondContact O-N 2.96Å; I87-I159 CarbonylContact C-O 3.52Å; I87-I159 WeakPolarHBondContact CA-O 3.35Å; I88-I159 PolarHBondContact N-O 3.45Å; V95-I159 HydrophobicContact CG1-CD1 4.13Å; V95-I159 HydrophobicContact CG1-CG2 4.05Å; V99-I159 HydrophobicContact CG2-CD1 3.81Å; I157-I159 HydrophobicContact CG2-CD1 4.27Å; I157-I159 HydrophobicContact CG2-CG1 3.97Å; I159-D161 HydrophobicContact CG2-CB 4.43Å; I159-C192 CarbonylContact C-O 3.59Å; I159-C192 VanDerWaalsContact CA-O 3.23Å; I159-C192 WeakPolarHBondContact CA-O 3.13Å
160T98.8Very high91.9Very high1 Ų141.1 Ų41.11%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-107.4102.2168.5-55.50000108.6I88 L172 Y177 C192 C193 Q194I88-T160 HydrophobicContact CB-CG2 4.37Å; I88-T160 HydrophobicContact CG2-CG2 4.38Å; T160-L172 HydrophobicContact CG2-CB 4.27Å; T160-L172 HydrophobicContact CG2-CD1 4.06Å; T160-Y177 HydrophobicContact CG2-CE1 4.11Å; T160-Y177 PolarHBondContact OG1-OH 3.4Å; T160-C192 PolarHBondContact N-O 2.79Å; T160-C193 WeakPolarHBondContact O-CA 3.47Å; T160-Q194 PolarHBondContact O-N 2.91Å
161D97.5Very high91.5Very high17 Ų1735.8 Ų35.89%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-100.878.8176.5178.711.2000108.3Y67 I71 I88 G89 G90 V95 I159Y67-D161 VanDerWaalsContact CE1-OD1 3.26Å; Y67-D161 WeakPolarHBondContact CE1-OD1 3.26Å; Y67-D161 PolarHBondContact OH-OD1 2.85Å; I71-D161 HydrophobicContact CD1-CB 4.41Å; I88-D161 PolarHBondContact O-N 2.97Å; G89-D161 WeakPolarHBondContact CA-O 3.34Å; G90-D161 WeakPolarHBondContact CA-OD2 3.2Å; G90-D161 PolarHBondContact N-O 3.39Å; V95-D161 HydrophobicContact CG2-CB 4.22Å; V95-D161 WeakPolarHBondContact CG2-OD2 3.23Å; I159-D161 HydrophobicContact CG2-CB 4.43Å
162S91.1Very high91.2Very high17 Ų1735.2 Ų35.212%0.11921%0.208CC..  trans-109.3158.7-177.5640000111.7
163S87.9Confident91Very high31 Ų3128.5 Ų28.522%0.21718%0.176CC..  trans-65.3-179.5161.665.20000111.6A169 F173S163-A169 WeakPolarHBondContact OG-CB 3.17Å; S163-F173 WeakPolarHBondContact O-CE2 3.18Å
164D84.4Confident90.8Very high15 Ų1528.3 Ų28.38%0.0817%0.171CC..SBendtrans-54.1159.9174.6-55-52.1000113L15 W16 V56 V166 A169L15-D164 HydrophobicContact CD1-CB 3.58Å; W16-D164 VanDerWaalsContact CH2-OD2 3.26Å; W16-D164 WeakPolarHBondContact CH2-OD2 3.44Å; W16-D164 WeakPolarHBondContact CZ3-OD2 3.3Å; V56-D164 WeakPolarHBondContact CG1-OD2 3.37Å; D164-V166 PolarHBondContact O-N 2.89Å; D164-A169 WeakPolarHBondContact O-CB 3.46Å
165P84.9Confident90.7Very high29 Ų2931.2 Ų31.219%0.18818%0.181CC..SBendtrans-7155.9-178.430.2-38.9000114L15 F173 E196 L204L15-P165 HydrophobicContact CD1-CG 4.43Å; P165-F173 HydrophobicContact CB-CB 4.22Å; P165-F173 HydrophobicContact CB-CD1 4.3Å; P165-F173 HydrophobicContact CB-CD2 3.58Å; P165-F173 HydrophobicContact CB-CE2 3.94Å; P165-F173 HydrophobicContact CB-CG 3.78Å; P165-F173 HydrophobicContact CB-CZ 4.44Å; P165-E196 WeakPolarHBondContact CD-OE1 3.24Å; P165-L204 HydrophobicContact CG-CD2 4.12Å
166V80.1Confident90.6Very high78 Ų7833.3 Ų33.347%0.47320%0.196SC..SBendtrans-135.7150.4177.8-163.60000108.6L15 D164 A169L15-V166 HydrophobicContact CD1-CG2 3.65Å; L15-V166 HydrophobicContact CG-CG2 4.25Å; D164-V166 PolarHBondContact O-N 2.89Å; V166-A169 PolarHBondContact O-N 2.93Å
167G80.6Confident90.6Very high47 Ų4732.6 Ų32.649%0.48519%0.193SC..G310 helixtrans61.2-131.3176.400000111.8A169 E170G167-A169 PolarHBondContact O-N 3.07Å; G167-E170 PolarHBondContact O-N 3.2Å
168P75.1Confident90.6Very high51 Ų5132.6 Ų32.633%0.33119%0.193SC..G310 helixtrans-66.8-19.3-174.228.4-34.5000114
169A82.1Confident90.5Very high4 Ų437.1 Ų37.13%0.03321%0.214CC..G310 helixtrans-89.5-10.5-177.700000114.1S163 D164 V166 G167 S171 L172 F173S163-A169 WeakPolarHBondContact OG-CB 3.17Å; D164-A169 WeakPolarHBondContact O-CB 3.46Å; V166-A169 PolarHBondContact O-N 2.93Å; G167-A169 PolarHBondContact O-N 3.07Å; A169-S171 VanDerWaalsContact C-N 3.25Å; A169-S171 PolarHBondContact O-N 3.18Å; A169-S171 VanDerWaalsContact O-N 3.14Å; A169-L172 HydrophobicContact CB-CD1 4.37Å; A169-L172 WeakPolarHBondContact O-CB 3.42Å; A169-L172 PolarHBondContact O-N 3.2Å; A169-F173 WeakPolarHBondContact O-CD2 3.44Å
170E85.7Confident90.5Very high98 Ų9838.9 Ų38.946%0.45822%0.223SC..G310 helixtrans-55.4-37.6-174.8-166.8-158137.600113.1G167 L172 K174G167-E170 PolarHBondContact O-N 3.2Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 2.88Å; E170-K174 WeakPolarHBondContact OE1-CE 3.47Å; E170-K174 IonicContact OE1-NZ 3Å; E170-K174 PolarHBondContact OE1-NZ 2.99Å
171S87.3Confident90.5Very high35 Ų3538.8 Ų38.825%0.24522%0.223CC..G310 helixtrans-67.5-24.4178.748.90000113.6A169 F173 K174 Y177A169-S171 VanDerWaalsContact C-N 3.25Å; A169-S171 PolarHBondContact O-N 3.18Å; A169-S171 VanDerWaalsContact O-N 3.14Å; S171-F173 PolarHBondContact O-N 2.94Å; S171-K174 PolarHBondContact O-N 2.82Å; S171-Y177 WeakPolarHBondContact O-CB 3.46Å
172L90.7Very high90.6Very high20 Ų2041.7 Ų41.711%0.10523%0.234CC..G310 helixtrans-75.7-10.3-175.4-52.8179.4000113I88 T160 A169 E170 Y177I88-L172 HydrophobicContact CG2-CD1 4.41Å; I88-L172 HydrophobicContact CG2-CD2 4.46Å; T160-L172 HydrophobicContact CG2-CB 4.27Å; T160-L172 HydrophobicContact CG2-CD1 4.06Å; A169-L172 HydrophobicContact CB-CD1 4.37Å; A169-L172 WeakPolarHBondContact O-CB 3.42Å; A169-L172 PolarHBondContact O-N 3.2Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 2.88Å; L172-Y177 HydrophobicContact CB-CD1 4.2Å; L172-Y177 HydrophobicContact CB-CE1 4.1Å; L172-Y177 HydrophobicContact CD2-CD1 4.33Å; L172-Y177 HydrophobicContact CD2-CD2 3.98Å; L172-Y177 HydrophobicContact CD2-CE1 4Å; L172-Y177 HydrophobicContact CD2-CE2 3.62Å; L172-Y177 HydrophobicContact CD2-CG 4.31Å; L172-Y177 WeakPolarHBondContact O-CD1 3.33Å
173F93Very high90.9Very high15 Ų1544 Ų447%0.06625%0.248CC..G310 helixtrans-102.12.2178.2-68.1-98.7000113.5S163 P165 A169 S171 E196 M208S163-F173 WeakPolarHBondContact O-CE2 3.18Å; P165-F173 HydrophobicContact CB-CB 4.22Å; P165-F173 HydrophobicContact CB-CD1 4.3Å; P165-F173 HydrophobicContact CB-CD2 3.58Å; P165-F173 HydrophobicContact CB-CE2 3.94Å; P165-F173 HydrophobicContact CB-CG 3.78Å; P165-F173 HydrophobicContact CB-CZ 4.44Å; A169-F173 WeakPolarHBondContact O-CD2 3.44Å; S171-F173 PolarHBondContact O-N 2.94Å; F173-E196 HydrophobicContact CE1-CG 4.12Å; F173-M208 HydrophobicContact CD1-CE 3.75Å; F173-M208 HydrophobicContact CD1-SD 3.8Å; F173-M208 HydrophobicContact CE1-CE 4.38Å
174K94.1Very high91.4Very high93 Ų9342.5 Ų42.540%0.40424%0.237SC..SBendtrans-92.9149.4-175.8-62.1-178.3-177.5175.20112E170 S171 S176 Y177 Y178E170-K174 WeakPolarHBondContact OE1-CE 3.47Å; E170-K174 IonicContact OE1-NZ 3Å; E170-K174 PolarHBondContact OE1-NZ 2.99Å; S171-K174 PolarHBondContact O-N 2.82Å; K174-S176 PolarHBondContact O-N 2.94Å; K174-Y177 WeakPolarHBondContact O-CB 3.23Å; K174-Y177 PolarHBondContact O-N 3.27Å; K174-Y178 PolarHBondContact O-N 2.79Å
175E97.1Very high92.1Very high82 Ų8241.8 Ų41.838%0.38323%0.234SC..Hα-helixtrans-51.1-43.1177-176.5173.1-162.300112.4Y177 Y178 E179 F211 L215E175-Y177 PolarHBondContact O-N 3.28Å; E175-Y178 WeakPolarHBondContact O-CA 3.08Å; E175-Y178 WeakPolarHBondContact O-CB 3.48Å; E175-Y178 PolarHBondContact O-N 2.89Å; E175-E179 PolarHBondContact O-N 2.9Å; E175-F211 HydrophobicContact CB-CB 4.28Å; E175-F211 HydrophobicContact CB-CD1 4.29Å; E175-F211 HydrophobicContact CB-CD2 3.97Å; E175-F211 HydrophobicContact CB-CE2 4.4Å; E175-F211 HydrophobicContact CB-CG 3.95Å; E175-F211 HydrophobicContact CG-CB 4.01Å; E175-F211 HydrophobicContact CG-CD2 4.01Å; E175-F211 HydrophobicContact CG-CG 4.1Å; E175-L215 HydrophobicContact CG-CD1 4.18Å
176S97.1Very high92.8Very high52 Ų5243.5 Ų43.536%0.36424%0.236SC..Hα-helixtrans-55.8-33.4177600000114.3K174 L180K174-S176 PolarHBondContact O-N 2.94Å; S176-L180 WeakPolarHBondContact O-CG 3.34Å; S176-L180 PolarHBondContact O-N 2.96Å
177Y97.8Very high93.6Very high0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-73.1-37.5175.1178.6-113.6000111.6I88 F145 M148 T160 S171 L172 K174 E175 E179 L180 M181I88-Y177 WeakPolarHBondContact CG1-OH 3.39Å; F145-Y177 AromaticContact CD2-CD2 3.55Å; F145-Y177 HydrophobicContact CD2-CD2 3.55Å; F145-Y177 HydrophobicContact CD2-CG 4.12Å; F145-Y177 HydrophobicContact CE2-CD2 4.18Å; F145-Y177 HydrophobicContact CE2-CG 4.45Å; F145-Y177 HydrophobicContact CG-CD2 4.35Å; M148-Y177 HydrophobicContact CB-CE2 4.34Å; M148-Y177 HydrophobicContact CE-CE2 3.91Å; M148-Y177 HydrophobicContact CG-CE2 4.45Å; T160-Y177 HydrophobicContact CG2-CE1 4.11Å; T160-Y177 PolarHBondContact OG1-OH 3.4Å; S171-Y177 WeakPolarHBondContact O-CB 3.46Å; L172-Y177 HydrophobicContact CB-CD1 4.2Å; L172-Y177 HydrophobicContact CB-CE1 4.1Å; L172-Y177 HydrophobicContact CD2-CD1 4.33Å; L172-Y177 HydrophobicContact CD2-CD2 3.98Å; L172-Y177 HydrophobicContact CD2-CE1 4Å; L172-Y177 HydrophobicContact CD2-CE2 3.62Å; L172-Y177 HydrophobicContact CD2-CG 4.31Å; L172-Y177 WeakPolarHBondContact O-CD1 3.33Å; K174-Y177 WeakPolarHBondContact O-CB 3.23Å; K174-Y177 PolarHBondContact O-N 3.27Å; E175-Y177 PolarHBondContact O-N 3.28Å; Y177-E179 VanDerWaalsContact C-N 3.31Å; Y177-E179 PolarHBondContact O-N 3.23Å; Y177-L180 WeakPolarHBondContact O-CB 3.23Å; Y177-L180 PolarHBondContact O-N 2.71Å; Y177-M181 HydrophobicContact CD1-CE 3.52Å; Y177-M181 HydrophobicContact CD1-CG 4.44Å; Y177-M181 HydrophobicContact CD1-SD 4.16Å; Y177-M181 HydrophobicContact CE1-CE 3.47Å; Y177-M181 VanDerWaalsContact CE1-CE 3.47Å; Y177-M181 HydrophobicContact CE1-CG 4.05Å; Y177-M181 HydrophobicContact CE1-SD 3.53Å; Y177-M181 VanDerWaalsContact CE1-SD 3.53Å; Y177-M181 HydrophobicContact CE2-CG 4.42Å; Y177-M181 HydrophobicContact CG-CE 4.47Å; Y177-M181 PolarHBondContact O-N 3Å
178Y98.6Very high94.4Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-66.5-31.6174.9-80.5-101.5000112.7K174 E175 M181 K182 L191 M208 F211 C212 F216 M237K174-Y178 PolarHBondContact O-N 2.79Å; E175-Y178 WeakPolarHBondContact O-CA 3.08Å; E175-Y178 WeakPolarHBondContact O-CB 3.48Å; E175-Y178 PolarHBondContact O-N 2.89Å; Y178-M181 HydrophobicContact CD1-CE 3.49Å; Y178-M181 VanDerWaalsContact CD1-CE 3.49Å; Y178-M181 HydrophobicContact CD2-CE 3.76Å; Y178-M181 HydrophobicContact CE1-CE 3.7Å; Y178-M181 HydrophobicContact CE2-CE 3.96Å; Y178-M181 HydrophobicContact CG-CE 3.53Å; Y178-M181 PolarHBondContact O-N 2.91Å; Y178-K182 WeakPolarHBondContact O-CB 3.27Å; Y178-K182 PolarHBondContact O-N 3.07Å; Y178-L191 HydrophobicContact CD1-CD1 4.27Å; Y178-L191 HydrophobicContact CD1-CD2 4.18Å; Y178-L191 HydrophobicContact CE1-CD1 3.81Å; Y178-M208 HydrophobicContact CE2-CE 4.06Å; Y178-M208 WeakPolarHBondContact OH-CE 3.04Å; Y178-F211 HydrophobicContact CD1-CE2 4.26Å; Y178-F211 AromaticContact CD2-CE2 3.53Å; Y178-F211 HydrophobicContact CD2-CE2 3.53Å; Y178-F211 AromaticContact CD2-CZ 3.88Å; Y178-F211 HydrophobicContact CD2-CZ 3.88Å; Y178-F211 AromaticContact CE2-CE2 3.98Å; Y178-F211 HydrophobicContact CE2-CE2 3.98Å; Y178-F211 AromaticContact CE2-CZ 3.99Å; Y178-F211 HydrophobicContact CE2-CZ 3.99Å; Y178-F211 AromaticContact CG-CE2 3.69Å; Y178-F211 HydrophobicContact CG-CE2 3.69Å; Y178-F211 HydrophobicContact CG-CZ 4.47Å; Y178-C212 WeakPolarHBondContact CD1-SG 3.36Å; Y178-C212 WeakPolarHBondContact CE1-SG 3.5Å; Y178-F216 HydrophobicContact CD1-CE2 4.24Å; Y178-M237 HydrophobicContact CE1-CG 4.24Å
179E98.6Very high95.5Very high95 Ų9542.4 Ų42.444%0.44422%0.217SC..Hα-helixtrans-64-41.3169.7-68.1-179148.200112.3E175 Y177 K182 T183 L215E175-E179 PolarHBondContact O-N 2.9Å; Y177-E179 VanDerWaalsContact C-N 3.31Å; Y177-E179 PolarHBondContact O-N 3.23Å; E179-K182 PolarHBondContact O-N 3.31Å; E179-T183 PolarHBondContact O-N 2.96Å; E179-T183 VanDerWaalsContact O-N 3.09Å; E179-T183 PolarHBondContact O-OG1 2.9Å; E179-L215 HydrophobicContact CG-CD1 4Å; E179-L215 HydrophobicContact CG-CD2 3.79Å
180L98.6Very high96.3Very high36 Ų3642.2 Ų42.219%0.18822%0.215CC..Hα-helixtrans-64-46.1174.4-65.4174.7000111F145 M148 K149 S176 Y177 K182 T183 A184F145-L180 HydrophobicContact CD1-CD1 4.17Å; F145-L180 HydrophobicContact CD2-CD1 4.22Å; F145-L180 HydrophobicContact CE1-CD1 3.84Å; F145-L180 HydrophobicContact CE2-CD1 3.9Å; F145-L180 HydrophobicContact CG-CD1 4.34Å; F145-L180 HydrophobicContact CZ-CD1 3.68Å; M148-L180 HydrophobicContact CB-CB 3.97Å; M148-L180 HydrophobicContact CB-CD1 4.35Å; M148-L180 HydrophobicContact CG-CB 3.46Å; M148-L180 VanDerWaalsContact CG-CB 3.46Å; K149-L180 HydrophobicContact CG-CD1 3.82Å; K149-L180 HydrophobicContact CG-CD2 3.81Å; K149-L180 HydrophobicContact CG-CG 4.49Å; S176-L180 WeakPolarHBondContact O-CG 3.34Å; S176-L180 PolarHBondContact O-N 2.96Å; Y177-L180 WeakPolarHBondContact O-CB 3.23Å; Y177-L180 PolarHBondContact O-N 2.71Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.84Å; L180-T183 WeakPolarHBondContact O-CB 3.33Å; L180-T183 PolarHBondContact O-N 3.29Å; L180-T183 VanDerWaalsContact O-N 3.11Å; L180-A184 PolarHBondContact O-N 2.92Å
181M98.7Very high96.9Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-59.4-42.9175-72.6-169.6-71.200112M148 I158 Y177 Y178 T183 A184 L185 L191M148-M181 HydrophobicContact CE-CG 3.79Å; M148-M181 HydrophobicContact CG-CG 4.42Å; M148-M181 HydrophobicContact SD-CG 4.1Å; I158-M181 HydrophobicContact CD1-CB 4.22Å; I158-M181 HydrophobicContact CD1-CG 4.37Å; I158-M181 HydrophobicContact CG2-CG 4.23Å; I158-M181 HydrophobicContact CG2-SD 3.97Å; Y177-M181 HydrophobicContact CD1-CE 3.52Å; Y177-M181 HydrophobicContact CD1-CG 4.44Å; Y177-M181 HydrophobicContact CD1-SD 4.16Å; Y177-M181 HydrophobicContact CE1-CE 3.47Å; Y177-M181 VanDerWaalsContact CE1-CE 3.47Å; Y177-M181 HydrophobicContact CE1-CG 4.05Å; Y177-M181 HydrophobicContact CE1-SD 3.53Å; Y177-M181 VanDerWaalsContact CE1-SD 3.53Å; Y177-M181 HydrophobicContact CE2-CG 4.42Å; Y177-M181 HydrophobicContact CG-CE 4.47Å; Y177-M181 PolarHBondContact O-N 3Å; Y178-M181 HydrophobicContact CD1-CE 3.49Å; Y178-M181 VanDerWaalsContact CD1-CE 3.49Å; Y178-M181 HydrophobicContact CD2-CE 3.76Å; Y178-M181 HydrophobicContact CE1-CE 3.7Å; Y178-M181 HydrophobicContact CE2-CE 3.96Å; Y178-M181 HydrophobicContact CG-CE 3.53Å; Y178-M181 PolarHBondContact O-N 2.91Å; M181-T183 PolarHBondContact O-N 3.43Å; M181-A184 PolarHBondContact O-N 3.47Å; M181-L185 WeakPolarHBondContact O-CB 3.41Å; M181-L185 VanDerWaalsContact O-CG 3.28Å; M181-L185 WeakPolarHBondContact O-CG 3.45Å; M181-L185 PolarHBondContact O-N 3.07Å; M181-L191 HydrophobicContact CB-CD2 3.87Å; M181-L191 HydrophobicContact CE-CD2 4.02Å; M181-L191 HydrophobicContact SD-CB 4.44Å; M181-L191 HydrophobicContact SD-CD2 4.15Å
182K98.8Very high97.5Very high77 Ų7735.9 Ų35.934%0.33518%0.182SC..Hα-helixtrans-58.1-37.2175.7-176.2176.7171.8179.30112.4Y178 E179 L180 L215 F216 K241Y178-K182 WeakPolarHBondContact O-CB 3.27Å; Y178-K182 PolarHBondContact O-N 3.07Å; E179-K182 PolarHBondContact O-N 3.31Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.84Å; K182-L215 HydrophobicContact CD-CB 4.27Å; K182-L215 WeakPolarHBondContact CD-O 3.47Å; K182-L215 WeakPolarHBondContact CE-O 3.21Å; K182-L215 PolarHBondContact NZ-O 2.82Å; K182-F216 HydrophobicContact CB-CE1 3.79Å; K182-F216 HydrophobicContact CB-CE2 4.47Å; K182-F216 HydrophobicContact CB-CZ 3.56Å; K182-F216 HydrophobicContact CD-CE1 4.4Å; K182-F216 HydrophobicContact CD-CZ 4.48Å; K182-F216 HydrophobicContact CG-CE1 3.88Å; K182-F216 HydrophobicContact CG-CZ 4.1Å; K182-K241 HydrophobicContact CG-CD 4.42Å; K182-K241 PolarHBondContact O-NZ 3.35Å
183T98.6Very high97.9Very high66 Ų6635.1 Ų35.141%0.40518%0.178SC..Hα-helixtrans-72.9-42.5178.6-58.90000111.6Q152 D153 E179 L180 M181Q152-T183 WeakPolarHBondContact CA-O 3.05Å; Q152-T183 HydrophobicContact CB-CG2 4.22Å; Q152-T183 HydrophobicContact CG-CG2 3.84Å; D153-T183 PolarHBondContact N-O 2.78Å; E179-T183 PolarHBondContact O-N 2.96Å; E179-T183 VanDerWaalsContact O-N 3.09Å; E179-T183 PolarHBondContact O-OG1 2.9Å; L180-T183 WeakPolarHBondContact O-CB 3.33Å; L180-T183 PolarHBondContact O-N 3.29Å; L180-T183 VanDerWaalsContact O-N 3.11Å; M181-T183 PolarHBondContact O-N 3.43Å
184A98.7Very high98.1Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-71.4-29.5178.600000113.4M148 N151 D153 A154 F155 I158 L180 M181M148-A184 HydrophobicContact CG-CB 4.29Å; M148-A184 HydrophobicContact SD-CB 3.53Å; M148-A184 VanDerWaalsContact SD-CB 3.53Å; N151-A184 HydrophobicContact CB-CB 4.09Å; N151-A184 WeakPolarHBondContact O-CA 3.44Å; D153-A184 PolarHBondContact N-O 3.12Å; A154-A184 PolarHBondContact N-O 3.38Å; F155-A184 HydrophobicContact CD2-CB 4.38Å; F155-A184 PolarHBondContact N-O 2.74Å; I158-A184 HydrophobicContact CD1-CB 3.84Å; L180-A184 PolarHBondContact O-N 2.92Å; M181-A184 PolarHBondContact O-N 3.47Å
185L98.9Very high98.3Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-67.1140.7174.6-78.4172.4000111.7F155 I158 M181 I190 L191 F216 K241F155-L185 CarbonylContact O-C 3.49Å; F155-L185 WeakPolarHBondContact O-CA 3.18Å; I158-L185 HydrophobicContact CB-CD2 4.23Å; I158-L185 HydrophobicContact CD1-CD2 3.88Å; I158-L185 HydrophobicContact CD1-CG 3.73Å; I158-L185 HydrophobicContact CG1-CD2 3.63Å; I158-L185 HydrophobicContact CG1-CG 4.07Å; M181-L185 WeakPolarHBondContact O-CB 3.41Å; M181-L185 VanDerWaalsContact O-CG 3.28Å; M181-L185 WeakPolarHBondContact O-CG 3.45Å; M181-L185 PolarHBondContact O-N 3.07Å; L185-I190 WeakPolarHBondContact CD2-O 3.47Å; L185-L191 HydrophobicContact CD1-CB 4.14Å; L185-L191 HydrophobicContact CD1-CD2 4.08Å; L185-L191 HydrophobicContact CD1-CG 4.39Å; L185-F216 HydrophobicContact CD1-CE1 4.15Å; L185-K241 HydrophobicContact CB-CD 3.65Å; L185-K241 HydrophobicContact CD1-CD 4.38Å; L185-K241 PolarHBondContact O-NZ 3.2Å
186R98.6Very high98.3Very high65 Ų6526.4 Ų26.425%0.24514%0.139CC..EExtended strand (participates in β ladder)trans-66.6168.3169.6-78168.8167.9-171.9-7.7113D153 A154 F155 D156 G188 G189 K241D153-R186 VanDerWaalsContact C-CG 3.44Å; D153-R186 WeakPolarHBondContact O-CG 3.28Å; D153-R186 PolarHBondContact O-NE 2.96Å; D153-R186 WeakPolarHBondContact OD1-CA 3.47Å; A154-R186 PolarHBondContact O-NE 3.4Å; F155-R186 WeakPolarHBondContact O-CB 3.23Å; F155-R186 PolarHBondContact O-N 3.45Å; D156-R186 WeakPolarHBondContact OD1-CD 3.22Å; D156-R186 IonicContact OD1-CZ 3.87Å; D156-R186 IonicContact OD1-NE 3.88Å; D156-R186 IonicContact OD1-NH1 3.63Å; D156-R186 PolarHBondContact OD1-NH1 2.95Å; D156-R186 IonicContact OD2-NH1 2.73Å; R186-G188 PolarHBondContact O-N 3.35Å; R186-G189 PolarHBondContact O-N 2.85Å; R186-K241 WeakPolarHBondContact O-CD 3.44Å; R186-K241 WeakPolarHBondContact O-CE 3.43Å; R186-K241 PolarHBondContact O-NZ 3.45Å
187D97.4Very high98.4Very high140 Ų14024.1 Ų24.175%0.74912%0.123SC*.EExtended strand (participates in β ladder)trans-56.2133.3166-168.233.5000110.8D153 G189D153-D187 PolarHBondContact OD1-N 2.84Å; D187-G189 PolarHBondContact O-N 3.23Å
188G96.8Very high98.4Very high12 Ų1224.1 Ų24.112%0.12412%0.123CC..EExtended strand (participates in β ladder)trans64.18.6-170.800000117.6R186R186-G188 PolarHBondContact O-N 3.35Å
189G98.8Very high98.4Very high0 Ų031.2 Ų31.20%015%0.15CC..EExtended strand (participates in β ladder)trans-64.4154.8176.800000113.6D156 R186 D187 K241D156-G189 CarbonylContact O-C 3.31Å; D156-G189 WeakPolarHBondContact O-CA 3.16Å; R186-G189 PolarHBondContact O-N 2.85Å; D187-G189 PolarHBondContact O-N 3.23Å; G189-K241 PolarHBondContact O-N 2.99Å
190I98.9Very high98.4Very high1 Ų129.1 Ų29.11%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-121.6140.6-176.7-70.3175.9000110.1P75 S78 H79 D156 I157 I158 L185 C239 T245 F247P75-I190 HydrophobicContact CB-CG2 3.76Å; S78-I190 WeakPolarHBondContact O-CD1 3.45Å; H79-I190 HydrophobicContact CB-CD1 4.03Å; D156-I190 PolarHBondContact O-N 2.78Å; I157-I190 CarbonylContact C-O 3.58Å; I157-I190 VanDerWaalsContact CA-O 3.26Å; I157-I190 WeakPolarHBondContact CA-O 3.46Å; I157-I190 HydrophobicContact CD1-CB 3.78Å; I157-I190 HydrophobicContact CD1-CG2 4.27Å; I158-I190 PolarHBondContact N-O 2.82Å; L185-I190 WeakPolarHBondContact CD2-O 3.47Å; I190-C239 CarbonylContact C-O 3.45Å; I190-C239 WeakPolarHBondContact CA-O 3.45Å; I190-T245 HydrophobicContact CD1-CG2 3.85Å; I190-F247 HydrophobicContact CD1-CE1 3.93Å; I190-F247 HydrophobicContact CD1-CZ 4.37Å; I190-F247 HydrophobicContact CG1-CE1 4.28Å; I190-F247 HydrophobicContact CG1-CZ 4.29Å; I190-F247 HydrophobicContact CG2-CE1 3.63Å; I190-F247 HydrophobicContact CG2-CZ 3.91Å
191L98.8Very high98.3Very high0 Ų028.5 Ų28.50%014%0.137CC..EExtended strand (participates in β ladder)trans-112151.4165.863.385.8000112I158 Y178 M181 L185 F216 L238 C239I158-L191 HydrophobicContact CB-CB 4.3Å; I158-L191 CarbonylContact O-C 3.49Å; I158-L191 WeakPolarHBondContact O-CA 3.37Å; Y178-L191 HydrophobicContact CD1-CD1 4.27Å; Y178-L191 HydrophobicContact CD1-CD2 4.18Å; Y178-L191 HydrophobicContact CE1-CD1 3.81Å; M181-L191 HydrophobicContact CB-CD2 3.87Å; M181-L191 HydrophobicContact CE-CD2 4.02Å; M181-L191 HydrophobicContact SD-CB 4.44Å; M181-L191 HydrophobicContact SD-CD2 4.15Å; L185-L191 HydrophobicContact CD1-CB 4.14Å; L185-L191 HydrophobicContact CD1-CD2 4.08Å; L185-L191 HydrophobicContact CD1-CG 4.39Å; L191-F216 HydrophobicContact CD2-CE1 3.93Å; L191-F216 HydrophobicContact CD2-CE2 3.85Å; L191-F216 HydrophobicContact CD2-CZ 3.33Å; L191-F216 HydrophobicContact CG-CZ 4.48Å; L191-L238 WeakPolarHBondContact O-CA 3.27Å; L191-C239 HydrophobicContact CD1-CB 3.71Å; L191-C239 HydrophobicContact CD2-CB 4.18Å; L191-C239 HydrophobicContact CG-CB 3.78Å; L191-C239 PolarHBondContact N-O 3.13Å; L191-C239 PolarHBondContact O-N 3.07Å; L191-C239 VanDerWaalsContact O-N 3.08Å
192C98.9Very high98.2Very high0 Ų029.9 Ų29.90%015%0.145CC..EExtended strand (participates in β ladder)trans-136.6120.5168.3-173.70000109.3P75 I158 I159 T160 M237 L238P75-C192 HydrophobicContact CB-CB 3.81Å; P75-C192 HydrophobicContact CG-CB 3.55Å; I158-C192 PolarHBondContact O-N 3.29Å; I159-C192 CarbonylContact C-O 3.59Å; I159-C192 VanDerWaalsContact CA-O 3.23Å; I159-C192 WeakPolarHBondContact CA-O 3.13Å; T160-C192 PolarHBondContact N-O 2.79Å; C192-M237 WeakPolarHBondContact CA-O 3.38Å; C192-L238 HydrophobicContact CB-CD2 3.87Å; C192-L238 HydrophobicContact CB-CG 4.49Å
193C98.8Very high98.1Very high3 Ų332.1 Ų32.12%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-114.6151.3174.2-53.60000109.4T160 G195 F236 M237T160-C193 WeakPolarHBondContact O-CA 3.47Å; C193-G195 PolarHBondContact O-N 3.28Å; C193-F236 CarbonylContact O-C 3.51Å; C193-F236 VanDerWaalsContact O-CA 3.23Å; C193-F236 WeakPolarHBondContact O-CA 3.45Å; C193-M237 PolarHBondContact N-O 3.14Å; C193-M237 PolarHBondContact O-N 3.11Å
194Q98.1Very high97.9Very high4 Ų431.2 Ų31.22%0.01915%0.149CC..EExtended strand (participates in β ladder)trans-46.5132.9154.7-171.3-82.715.700108Y67 T160 E196 I234Y67-Q194 HydrophobicContact CE2-CG 4.25Å; T160-Q194 PolarHBondContact O-N 2.91Å; Q194-E196 PolarHBondContact NE2-OE1 2.95Å; Q194-E196 VanDerWaalsContact OE1-N 3.08Å; Q194-E196 PolarHBondContact OE1-OE1 3.49Å; Q194-I234 HydrophobicContact CG-CD1 3.88Å; Q194-I234 HydrophobicContact CG-CG1 4.33Å
195G97.4Very high97.8Very high1 Ų131.3 Ų31.31%0.0115%0.149CC..  trans-128.723.7-171.700000113.6C193 I205 Y221 G235C193-G195 PolarHBondContact O-N 3.28Å; G195-I205 VanDerWaalsContact O-CG1 3.25Å; G195-I205 WeakPolarHBondContact O-CG1 3.07Å; G195-Y221 WeakPolarHBondContact O-CE2 3.39Å; G195-G235 PolarHBondContact N-O 3.01Å
196E97.9Very high97.7Very high3 Ų335.5 Ų35.51%0.01417%0.168CC..  trans61.1177.9177.7-69.4-57.8148.700116.7P165 F173 Q194 H201 L204 Y221 G235P165-E196 WeakPolarHBondContact CD-OE1 3.24Å; F173-E196 HydrophobicContact CE1-CG 4.12Å; Q194-E196 PolarHBondContact NE2-OE1 2.95Å; Q194-E196 VanDerWaalsContact OE1-N 3.08Å; Q194-E196 PolarHBondContact OE1-OE1 3.49Å; E196-H201 HydrophobicContact CB-CB 3.76Å; E196-H201 HydrophobicContact CG-CB 4.42Å; E196-H201 IonicContact OE2-CE1 2.73Å; E196-H201 PolarHBondContact OE2-CE1 2.73Å; E196-H201 IonicContact OE2-CG 3.36Å; E196-H201 IonicContact OE2-ND1 3.15Å; E196-H201 PolarHBondContact OE2-ND1 2.85Å; E196-L204 HydrophobicContact CG-CD2 3.84Å; E196-Y221 PolarHBondContact O-OH 3.5Å; E196-G235 VanDerWaalsContact O-CA 3.26Å; E196-G235 WeakPolarHBondContact O-CA 3.21Å; E196-G235 PolarHBondContact O-N 3.29Å
197C98.4Very high97.5Very high3 Ų338.4 Ų38.42%0.0218%0.184CC..  trans-94122.2-175.1-178.70000112.6W199 L200 H201 Q233C197-W199 PolarHBondContact O-N 3.15Å; C197-W199 VanDerWaalsContact O-N 3.09Å; C197-L200 HydrophobicContact CB-CB 4.28Å; C197-L200 HydrophobicContact CB-CD1 4.11Å; C197-L200 HydrophobicContact CB-CG 4.36Å; C197-L200 PolarHBondContact O-N 3.14Å; C197-H201 PolarHBondContact N-ND1 2.8Å; C197-H201 PolarHBondContact O-N 3.22Å; C197-Q233 PolarHBondContact SG-O 2.9Å
198Q98.2Very high97.5Very high1 Ų131.8 Ų31.81%0.00515%0.148CC..THydrogen-bonded Turntrans-61.5-19.417963.7-178.4-51.400115.3I205 Y221 Y223 P279 F281 A282Q198-I205 HydrophobicContact CB-CD1 4.16Å; Q198-Y221 HydrophobicContact CB-CE1 4.38Å; Q198-Y223 VanDerWaalsContact NE2-CG 3.29Å; Q198-P279 VanDerWaalsContact OE1-CD 3.28Å; Q198-F281 WeakPolarHBondContact O-CE2 3.27Å; Q198-A282 HydrophobicContact CB-CB 4.3Å
199W98.4Very high97.5Very high148 Ų14832.1 Ų32.156%0.56115%0.146SC*.THydrogen-bonded Turntrans-81.8-17.8174.8-73.599.6000113.6C197 Q233 F281C197-W199 PolarHBondContact O-N 3.15Å; C197-W199 VanDerWaalsContact O-N 3.09Å; W199-Q233 VanDerWaalsContact CD1-CD 3.43Å; W199-F281 HydrophobicContact CD2-CE1 4.17Å; W199-F281 AromaticContact CD2-CZ 3.73Å; W199-F281 HydrophobicContact CD2-CZ 3.73Å; W199-F281 AromaticContact CE2-CE1 4Å; W199-F281 AromaticContact CE2-CZ 3.91Å; W199-F281 HydrophobicContact CE3-CE1 4.05Å; W199-F281 AromaticContact CE3-CZ 3.78Å; W199-F281 HydrophobicContact CE3-CZ 3.78Å; W199-F281 HydrophobicContact CG-CZ 4.3Å; W199-F281 AromaticContact CH2-CE1 3.65Å; W199-F281 HydrophobicContact CH2-CE1 3.65Å; W199-F281 HydrophobicContact CH2-CZ 4.2Å; W199-F281 AromaticContact CZ2-CE1 3.75Å; W199-F281 HydrophobicContact CZ2-CE1 3.75Å; W199-F281 HydrophobicContact CZ2-CZ 4.15Å; W199-F281 AromaticContact CZ3-CE1 3.8Å; W199-F281 HydrophobicContact CZ3-CE1 3.8Å; W199-F281 HydrophobicContact CZ3-CZ 4.02Å
200L98.2Very high97.4Very high52 Ų5234.9 Ų34.927%0.27216%0.163SC..THydrogen-bonded Turntrans-117.4-43.7-173-63.1172.3000111.8W16 C197 P230 S231W16-L200 HydrophobicContact CB-CD1 3.99Å; W16-L200 HydrophobicContact CB-CD2 4.4Å; C197-L200 HydrophobicContact CB-CB 4.28Å; C197-L200 HydrophobicContact CB-CD1 4.11Å; C197-L200 HydrophobicContact CB-CG 4.36Å; C197-L200 PolarHBondContact O-N 3.14Å; L200-P230 HydrophobicContact CD1-CB 3.73Å; L200-S231 WeakPolarHBondContact CD1-OG 3.05Å; L200-S231 WeakPolarHBondContact CG-OG 3.21Å
201H97.7Very high97.3Very high22 Ų2235.7 Ų35.710%0.10217%0.166CC..  trans-118.531.4-162.4-49136.2000112.2L15 E196 C197 E203 L204 I205L15-H201 PolarHBondContact O-NE2 2.78Å; E196-H201 HydrophobicContact CB-CB 3.76Å; E196-H201 HydrophobicContact CG-CB 4.42Å; E196-H201 IonicContact OE2-CE1 2.73Å; E196-H201 PolarHBondContact OE2-CE1 2.73Å; E196-H201 IonicContact OE2-CG 3.36Å; E196-H201 IonicContact OE2-ND1 3.15Å; E196-H201 PolarHBondContact OE2-ND1 2.85Å; C197-H201 PolarHBondContact N-ND1 2.8Å; C197-H201 PolarHBondContact O-N 3.22Å; H201-E203 VanDerWaalsContact C-N 3.28Å; H201-E203 PolarHBondContact O-N 3.04Å; H201-L204 HydrophobicContact CB-CB 4.42Å; H201-L204 PolarHBondContact O-N 2.88Å; H201-L204 VanDerWaalsContact O-N 3.11Å; H201-I205 WeakPolarHBondContact O-CG1 3.39Å; H201-I205 PolarHBondContact O-N 3.2Å
202L96.8Very high97.3Very high29 Ų2935.7 Ų35.715%0.15217%0.166CC..Hα-helixtrans-60.8-32.8-173.3-169.660.1000113.8K206 F281 A282 V285L202-K206 WeakPolarHBondContact O-CB 3.39Å; L202-K206 PolarHBondContact O-N 2.83Å; L202-F281 HydrophobicContact CD2-CD2 3.88Å; L202-F281 HydrophobicContact CD2-CE2 4.14Å; L202-A282 HydrophobicContact CD1-CB 4.02Å; L202-V285 HydrophobicContact CD1-CB 4.26Å; L202-V285 HydrophobicContact CD1-CG1 4.33Å; L202-V285 HydrophobicContact CD2-CB 4.13Å; L202-V285 HydrophobicContact CD2-CG2 3.72Å; L202-V285 HydrophobicContact CG-CB 4.16Å; L202-V285 HydrophobicContact CG-CG1 4.09Å; L202-V285 HydrophobicContact CG-CG2 4.21Å
203E95.1Very high97.2Very high124 Ų12439.4 Ų39.458%0.57918%0.183SC*.Hα-helixtrans-70-40.1175.2-68.9-56.6137.200112.2H201 K206 E207H201-E203 VanDerWaalsContact C-N 3.28Å; H201-E203 PolarHBondContact O-N 3.04Å; E203-K206 WeakPolarHBondContact O-CB 3.29Å; E203-K206 PolarHBondContact O-N 3.4Å; E203-K206 IonicContact OE2-NZ 3.7Å; E203-K206 PolarHBondContact OE2-NZ 3.22Å; E203-E207 PolarHBondContact O-N 2.82Å
204L95.1Very high97.2Very high48 Ų4843.9 Ų43.925%0.25121%0.21SC..Hα-helixtrans-62.9-45.4173.5174.260.8000110.8P165 E196 H201 K206 E207 M208P165-L204 HydrophobicContact CG-CD2 4.12Å; E196-L204 HydrophobicContact CG-CD2 3.84Å; H201-L204 HydrophobicContact CB-CB 4.42Å; H201-L204 PolarHBondContact O-N 2.88Å; H201-L204 VanDerWaalsContact O-N 3.11Å; L204-K206 PolarHBondContact O-N 2.86Å; L204-E207 PolarHBondContact O-N 3.17Å; L204-E207 VanDerWaalsContact O-N 3.13Å; L204-M208 HydrophobicContact CD1-CG 3.97Å; L204-M208 HydrophobicContact CD1-SD 4.04Å; L204-M208 HydrophobicContact CG-CG 4.37Å; L204-M208 HydrophobicContact CG-SD 3.97Å; L204-M208 WeakPolarHBondContact O-CB 3.4Å; L204-M208 WeakPolarHBondContact O-CG 3.45Å; L204-M208 PolarHBondContact O-N 3.05Å
205I97.1Very high97.2Very high1 Ų144.6 Ų44.61%0.00521%0.214CC..Hα-helixtrans-57-41.5175.9-69.6160.7000110.9G195 Q198 H201 R209 Y221 T286G195-I205 VanDerWaalsContact O-CG1 3.25Å; G195-I205 WeakPolarHBondContact O-CG1 3.07Å; Q198-I205 HydrophobicContact CB-CD1 4.16Å; H201-I205 WeakPolarHBondContact O-CG1 3.39Å; H201-I205 PolarHBondContact O-N 3.2Å; I205-R209 WeakPolarHBondContact O-CB 3.48Å; I205-R209 PolarHBondContact O-N 3.19Å; I205-Y221 HydrophobicContact CD1-CE2 3.89Å; I205-Y221 WeakPolarHBondContact CD1-OH 3.39Å; I205-Y221 HydrophobicContact CG1-CE2 3.92Å; I205-Y221 HydrophobicContact CG2-CD2 3.84Å; I205-Y221 HydrophobicContact CG2-CE2 3.84Å; I205-Y221 HydrophobicContact CG2-CG 4.31Å; I205-T286 HydrophobicContact CG2-CG2 4.47Å
206K96.3Very high97.2Very high89 Ų8944.9 Ų44.939%0.38722%0.215SC..Hα-helixtrans-65.7-44.4176.8-178.5-164.5178.7-174.60111.6L202 E203 L204 T210 V285L202-K206 WeakPolarHBondContact O-CB 3.39Å; L202-K206 PolarHBondContact O-N 2.83Å; E203-K206 WeakPolarHBondContact O-CB 3.29Å; E203-K206 PolarHBondContact O-N 3.4Å; E203-K206 IonicContact OE2-NZ 3.7Å; E203-K206 PolarHBondContact OE2-NZ 3.22Å; L204-K206 PolarHBondContact O-N 2.86Å; K206-T210 WeakPolarHBondContact O-CB 3.45Å; K206-T210 PolarHBondContact O-N 2.72Å; K206-T210 PolarHBondContact O-OG1 2.98Å; K206-V285 HydrophobicContact CB-CG1 3.73Å; K206-V285 HydrophobicContact CD-CG1 3.72Å; K206-V285 HydrophobicContact CG-CG1 3.77Å
207E95.4Very high97.2Very high126 Ų12648.6 Ų48.659%0.58924%0.239SC*.Hα-helixtrans-60.5-50.8176.3-177.1177.8171.300111E203 L204 R209 T210 F211E203-E207 PolarHBondContact O-N 2.82Å; L204-E207 PolarHBondContact O-N 3.17Å; L204-E207 VanDerWaalsContact O-N 3.13Å; E207-R209 PolarHBondContact O-N 2.74Å; E207-T210 WeakPolarHBondContact O-CA 3.02Å; E207-T210 WeakPolarHBondContact O-CB 3.24Å; E207-T210 PolarHBondContact O-N 3.17Å; E207-F211 HydrophobicContact CG-CD1 4.49Å; E207-F211 VanDerWaalsContact O-CD1 3.27Å; E207-F211 WeakPolarHBondContact O-CD1 3.36Å; E207-F211 PolarHBondContact O-N 2.83Å
208M96.3Very high97.2Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-57.2-49.3176.9-68.3176.674.800112.3F173 Y178 L204 T210 F211 C212 M237F173-M208 HydrophobicContact CD1-CE 3.75Å; F173-M208 HydrophobicContact CD1-SD 3.8Å; F173-M208 HydrophobicContact CE1-CE 4.38Å; Y178-M208 HydrophobicContact CE2-CE 4.06Å; Y178-M208 WeakPolarHBondContact OH-CE 3.04Å; L204-M208 HydrophobicContact CD1-CG 3.97Å; L204-M208 HydrophobicContact CD1-SD 4.04Å; L204-M208 HydrophobicContact CG-CG 4.37Å; L204-M208 HydrophobicContact CG-SD 3.97Å; L204-M208 WeakPolarHBondContact O-CB 3.4Å; L204-M208 WeakPolarHBondContact O-CG 3.45Å; L204-M208 PolarHBondContact O-N 3.05Å; M208-T210 PolarHBondContact O-N 3.2Å; M208-F211 HydrophobicContact CB-CE1 4.11Å; M208-F211 HydrophobicContact CB-CZ 4.03Å; M208-F211 HydrophobicContact CG-CE1 3.95Å; M208-F211 HydrophobicContact CG-CZ 3.94Å; M208-F211 PolarHBondContact O-N 2.52Å; M208-C212 VanDerWaalsContact O-CB 3.23Å; M208-C212 WeakPolarHBondContact O-CB 3.16Å; M208-C212 PolarHBondContact O-N 2.88Å; M208-C212 PolarHBondContact O-SG 2.92Å; M208-M237 HydrophobicContact CB-CE 3.88Å
209R96.6Very high97.3Very high19 Ų1950.4 Ų50.47%0.07225%0.25CS..Hα-helixtrans-59.9-35175.4-169.2176.7-179.592.12.1112.1I205 E207 K213 V219 D220 M237 T286I205-R209 WeakPolarHBondContact O-CB 3.48Å; I205-R209 PolarHBondContact O-N 3.19Å; E207-R209 PolarHBondContact O-N 2.74Å; R209-K213 WeakPolarHBondContact O-CG 3.28Å; R209-K213 PolarHBondContact O-N 3.34Å; R209-V219 HydrophobicContact CG-CG1 4.05Å; R209-D220 IonicContact NH1-OD1 2.77Å; R209-D220 PolarHBondContact NH1-OD1 2.86Å; R209-D220 IonicContact NH2-OD1 3.39Å; R209-M237 HydrophobicContact CB-CE 4Å; R209-T286 PolarHBondContact NE-O 3.37Å
210T96.3Very high97.2Very high58 Ų5844.1 Ų44.136%0.35623%0.227SC..Hα-helixtrans-66.8-52.3-178.7-620000111.1K206 E207 M208 K213K206-T210 WeakPolarHBondContact O-CB 3.45Å; K206-T210 PolarHBondContact O-N 2.72Å; K206-T210 PolarHBondContact O-OG1 2.98Å; E207-T210 WeakPolarHBondContact O-CA 3.02Å; E207-T210 WeakPolarHBondContact O-CB 3.24Å; E207-T210 PolarHBondContact O-N 3.17Å; M208-T210 PolarHBondContact O-N 3.2Å; T210-K213 PolarHBondContact O-N 2.87Å
211F97.3Very high97.3Very high18 Ų1841.7 Ų41.78%0.07922%0.215CC..Hα-helixtrans-71.7-34178.370.3-116.5000111.7E175 Y178 E207 M208 K213 T214 L215E175-F211 HydrophobicContact CB-CB 4.28Å; E175-F211 HydrophobicContact CB-CD1 4.29Å; E175-F211 HydrophobicContact CB-CD2 3.97Å; E175-F211 HydrophobicContact CB-CE2 4.4Å; E175-F211 HydrophobicContact CB-CG 3.95Å; E175-F211 HydrophobicContact CG-CB 4.01Å; E175-F211 HydrophobicContact CG-CD2 4.01Å; E175-F211 HydrophobicContact CG-CG 4.1Å; Y178-F211 HydrophobicContact CD1-CE2 4.26Å; Y178-F211 AromaticContact CD2-CE2 3.53Å; Y178-F211 HydrophobicContact CD2-CE2 3.53Å; Y178-F211 AromaticContact CD2-CZ 3.88Å; Y178-F211 HydrophobicContact CD2-CZ 3.88Å; Y178-F211 AromaticContact CE2-CE2 3.98Å; Y178-F211 HydrophobicContact CE2-CE2 3.98Å; Y178-F211 AromaticContact CE2-CZ 3.99Å; Y178-F211 HydrophobicContact CE2-CZ 3.99Å; Y178-F211 AromaticContact CG-CE2 3.69Å; Y178-F211 HydrophobicContact CG-CE2 3.69Å; Y178-F211 HydrophobicContact CG-CZ 4.47Å; E207-F211 HydrophobicContact CG-CD1 4.49Å; E207-F211 VanDerWaalsContact O-CD1 3.27Å; E207-F211 WeakPolarHBondContact O-CD1 3.36Å; E207-F211 PolarHBondContact O-N 2.83Å; M208-F211 HydrophobicContact CB-CE1 4.11Å; M208-F211 HydrophobicContact CB-CZ 4.03Å; M208-F211 HydrophobicContact CG-CE1 3.95Å; M208-F211 HydrophobicContact CG-CZ 3.94Å; M208-F211 PolarHBondContact O-N 2.52Å; F211-K213 PolarHBondContact O-N 3.38Å; F211-K213 VanDerWaalsContact O-N 3.13Å; F211-T214 PolarHBondContact O-N 2.79Å; F211-T214 PolarHBondContact O-OG1 2.87Å; F211-L215 PolarHBondContact O-N 3.42Å
212C98.3Very high97.3Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-59-33.3176.9-73.90000111.9Y178 M208 T214 L215 F216 V219Y178-C212 WeakPolarHBondContact CD1-SG 3.36Å; Y178-C212 WeakPolarHBondContact CE1-SG 3.5Å; M208-C212 VanDerWaalsContact O-CB 3.23Å; M208-C212 WeakPolarHBondContact O-CB 3.16Å; M208-C212 PolarHBondContact O-N 2.88Å; M208-C212 PolarHBondContact O-SG 2.92Å; C212-T214 VanDerWaalsContact C-N 3.3Å; C212-T214 PolarHBondContact O-N 2.98Å; C212-L215 PolarHBondContact O-N 2.94Å; C212-L215 VanDerWaalsContact O-N 3.13Å; C212-F216 WeakPolarHBondContact O-CD2 3.1Å; C212-F216 PolarHBondContact O-N 3.44Å; C212-V219 HydrophobicContact CB-CB 4.49Å; C212-V219 HydrophobicContact CB-CG1 3.82Å; C212-V219 HydrophobicContact CB-CG2 3.79Å; C212-V219 WeakPolarHBondContact O-CG2 3.44Å
213K97.4Very high97.4Very high79 Ų7941.6 Ų41.634%0.34321%0.212SC..Hα-helixtrans-71.3-20.1176.7-78.7175.8176.6-175.40114.2R209 T210 F211 L215 V219R209-K213 WeakPolarHBondContact O-CG 3.28Å; R209-K213 PolarHBondContact O-N 3.34Å; T210-K213 PolarHBondContact O-N 2.87Å; F211-K213 PolarHBondContact O-N 3.38Å; F211-K213 VanDerWaalsContact O-N 3.13Å; K213-L215 VanDerWaalsContact C-N 3.29Å; K213-V219 HydrophobicContact CG-CB 4.07Å; K213-V219 HydrophobicContact CG-CG2 3.97Å
214T98.1Very high97.6Very high97 Ų9735.7 Ų35.760%0.59518%0.184SC*.Hα-helixtrans-76.5-25.8170.773.60000110.5F211 C212F211-T214 PolarHBondContact O-N 2.79Å; F211-T214 PolarHBondContact O-OG1 2.87Å; C212-T214 VanDerWaalsContact C-N 3.3Å; C212-T214 PolarHBondContact O-N 2.98Å
215L98.4Very high97.8Very high19 Ų1936.8 Ų36.810%0.09919%0.193CC..Hα-helixtrans-95-38.2-175.3-60.6-179.8000113.6E175 E179 K182 F211 C212 K213E175-L215 HydrophobicContact CG-CD1 4.18Å; E179-L215 HydrophobicContact CG-CD1 4Å; E179-L215 HydrophobicContact CG-CD2 3.79Å; K182-L215 HydrophobicContact CD-CB 4.27Å; K182-L215 WeakPolarHBondContact CD-O 3.47Å; K182-L215 WeakPolarHBondContact CE-O 3.21Å; K182-L215 PolarHBondContact NZ-O 2.82Å; F211-L215 PolarHBondContact O-N 3.42Å; C212-L215 PolarHBondContact O-N 2.94Å; C212-L215 VanDerWaalsContact O-N 3.13Å; K213-L215 VanDerWaalsContact C-N 3.29Å
216F98.6Very high97.9Very high7 Ų736.8 Ų36.83%0.03119%0.193CC..  trans-124.5138.9-170.1-61.4-85000112.1Y178 K182 L185 L191 C212 V218 V219 C239 K241Y178-F216 HydrophobicContact CD1-CE2 4.24Å; K182-F216 HydrophobicContact CB-CE1 3.79Å; K182-F216 HydrophobicContact CB-CE2 4.47Å; K182-F216 HydrophobicContact CB-CZ 3.56Å; K182-F216 HydrophobicContact CD-CE1 4.4Å; K182-F216 HydrophobicContact CD-CZ 4.48Å; K182-F216 HydrophobicContact CG-CE1 3.88Å; K182-F216 HydrophobicContact CG-CZ 4.1Å; L185-F216 HydrophobicContact CD1-CE1 4.15Å; L191-F216 HydrophobicContact CD2-CE1 3.93Å; L191-F216 HydrophobicContact CD2-CE2 3.85Å; L191-F216 HydrophobicContact CD2-CZ 3.33Å; L191-F216 HydrophobicContact CG-CZ 4.48Å; C212-F216 WeakPolarHBondContact O-CD2 3.1Å; C212-F216 PolarHBondContact O-N 3.44Å; F216-V218 VanDerWaalsContact C-N 3.26Å; F216-V218 PolarHBondContact O-N 3.34Å; F216-V219 HydrophobicContact CB-CG2 4.05Å; F216-C239 HydrophobicContact CB-CB 3.9Å; F216-C239 HydrophobicContact CD1-CB 3.96Å; F216-C239 HydrophobicContact CD2-CB 3.55Å; F216-C239 HydrophobicContact CE1-CB 4.38Å; F216-C239 HydrophobicContact CE2-CB 4.03Å; F216-C239 HydrophobicContact CG-CB 3.52Å; F216-C239 HydrophobicContact CZ-CB 4.42Å; F216-K241 HydrophobicContact CD1-CG 4.09Å; F216-K241 HydrophobicContact CE1-CG 4.08Å
217P98.3Very high98Very high80 Ų8036 Ų3652%0.51920%0.197SC..SBendtrans-65.5-2717726.4-36.8000113.7S240 K241 A243P217-S240 WeakPolarHBondContact CD-O 3.08Å; P217-S240 WeakPolarHBondContact CG-O 3.39Å; P217-K241 WeakPolarHBondContact CG-O 3.48Å; P217-A243 HydrophobicContact CB-CB 3.85Å; P217-A243 HydrophobicContact CG-CB 4.21Å
218V98.6Very high98.1Very high28 Ų2830 Ų3017%0.1717%0.169CC..EExtended strand (participates in β ladder)trans-128.1125.7177.4-173.20000109.4F216 C239 S240 N242 F247F216-V218 VanDerWaalsContact C-N 3.26Å; F216-V218 PolarHBondContact O-N 3.34Å; V218-C239 CarbonylContact O-C 3.58Å; V218-C239 VanDerWaalsContact O-CA 3.3Å; V218-C239 WeakPolarHBondContact O-CA 3.37Å; V218-S240 PolarHBondContact O-N 3.37Å; V218-N242 WeakPolarHBondContact CG2-O 3.36Å; V218-F247 HydrophobicContact CB-CE2 4.36Å; V218-F247 HydrophobicContact CG1-CD2 3.73Å; V218-F247 HydrophobicContact CG1-CE2 3.8Å
219V98.5Very high98.2Very high15 Ų1531.1 Ų31.19%0.09117%0.173CC..EExtended strand (participates in β ladder)trans-135.1125.4176-178.80000108.4R209 C212 K213 F216 M237 L238 C239R209-V219 HydrophobicContact CG-CG1 4.05Å; C212-V219 HydrophobicContact CB-CB 4.49Å; C212-V219 HydrophobicContact CB-CG1 3.82Å; C212-V219 HydrophobicContact CB-CG2 3.79Å; C212-V219 WeakPolarHBondContact O-CG2 3.44Å; K213-V219 HydrophobicContact CG-CB 4.07Å; K213-V219 HydrophobicContact CG-CG2 3.97Å; F216-V219 HydrophobicContact CB-CG2 4.05Å; V219-M237 HydrophobicContact CG1-SD 3.64Å; V219-L238 CarbonylContact C-O 3.53Å; V219-L238 WeakPolarHBondContact CA-O 3.41Å; V219-C239 HydrophobicContact CG2-CB 4.45Å
220D98Very high98.3Very high15 Ų1531 Ų318%0.0818%0.175CC..EExtended strand (participates in β ladder)trans-135.8168.7171.9-141.6-11.7000112.6R209 L238 F247 R248 F276R209-D220 IonicContact NH1-OD1 2.77Å; R209-D220 PolarHBondContact NH1-OD1 2.86Å; R209-D220 IonicContact NH2-OD1 3.39Å; D220-L238 PolarHBondContact N-O 2.82Å; D220-L238 PolarHBondContact O-N 2.68Å; D220-F247 HydrophobicContact CB-CB 4.1Å; D220-F247 HydrophobicContact CB-CD2 3.95Å; D220-F247 HydrophobicContact CB-CG 4.4Å; D220-R248 IonicContact OD1-NH2 3.97Å; D220-R248 PolarHBondContact OD1-NH2 3.22Å; D220-R248 WeakPolarHBondContact OD2-CG 3.42Å; D220-R248 IonicContact OD2-CZ 3.72Å; D220-R248 IonicContact OD2-NE 2.73Å; D220-R248 PolarHBondContact OD2-NE 2.99Å; D220-R248 IonicContact OD2-NH2 2.74Å; D220-R248 PolarHBondContact OD2-NH2 2.77Å; D220-F276 HydrophobicContact CB-CD1 4.23Å; D220-F276 HydrophobicContact CB-CE1 4.08Å
221Y98.6Very high98.4Very high1 Ų130.7 Ų30.70%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-131.8124.6-179.7177.6-88.8000109.4G195 E196 Q198 I205 G235 F236 M237 L278G195-Y221 WeakPolarHBondContact O-CE2 3.39Å; E196-Y221 PolarHBondContact O-OH 3.5Å; Q198-Y221 HydrophobicContact CB-CE1 4.38Å; I205-Y221 HydrophobicContact CD1-CE2 3.89Å; I205-Y221 WeakPolarHBondContact CD1-OH 3.39Å; I205-Y221 HydrophobicContact CG1-CE2 3.92Å; I205-Y221 HydrophobicContact CG2-CD2 3.84Å; I205-Y221 HydrophobicContact CG2-CE2 3.84Å; I205-Y221 HydrophobicContact CG2-CG 4.31Å; Y221-G235 VanDerWaalsContact OH-CA 3.23Å; Y221-G235 WeakPolarHBondContact OH-CA 3.35Å; Y221-F236 WeakPolarHBondContact CA-O 3.41Å; Y221-M237 HydrophobicContact CD2-CE 4.44Å; Y221-L278 HydrophobicContact CD1-CD1 3.88Å; Y221-L278 HydrophobicContact CD1-CD2 3.81Å; Y221-L278 HydrophobicContact CE1-CD2 4.06Å
222A98.8Very high98.5Very high0 Ų031.2 Ų31.20%019%0.185CC..EExtended strand (participates in β ladder)trans-113.5167.1174.500000110L74 G235 F236 L238 S275 F276L74-A222 HydrophobicContact CD1-CB 3.81Å; L74-A222 HydrophobicContact CD2-CB 4.34Å; A222-G235 CarbonylContact O-C 3.55Å; A222-G235 WeakPolarHBondContact O-CA 3.37Å; A222-F236 HydrophobicContact CB-CD2 4.43Å; A222-F236 PolarHBondContact N-O 2.99Å; A222-F236 VanDerWaalsContact N-O 3.13Å; A222-F236 PolarHBondContact O-N 3.25Å; A222-L238 HydrophobicContact CB-CD1 3.96Å; A222-S275 CarbonylContact C-O 3.21Å; A222-S275 VanDerWaalsContact CA-O 3.26Å; A222-S275 WeakPolarHBondContact CA-O 3.29Å; A222-F276 HydrophobicContact CB-CD1 3.93Å; A222-F276 HydrophobicContact CB-CE1 3.68Å; A222-F276 HydrophobicContact CB-CE2 4.27Å; A222-F276 HydrophobicContact CB-CG 4.35Å; A222-F276 HydrophobicContact CB-CZ 3.86Å
223Y98.9Very high98.5Very high50 Ų5032.2 Ų32.220%0.19619%0.19CC..EExtended strand (participates in β ladder)trans-143160.2169.480.8-74.7000111.9Q198 T225 Q233 I234 S275 L278Q198-Y223 VanDerWaalsContact NE2-CG 3.29Å; Y223-T225 HydrophobicContact CE2-CG2 4.39Å; Y223-Q233 HydrophobicContact CD2-CB 4.33Å; Y223-Q233 VanDerWaalsContact CD2-NE2 3.26Å; Y223-I234 CarbonylContact C-O 3.56Å; Y223-I234 WeakPolarHBondContact CA-O 3.26Å; Y223-I234 VanDerWaalsContact CB-O 3.28Å; Y223-I234 WeakPolarHBondContact CB-O 3.44Å; Y223-S275 VanDerWaalsContact CD1-O 3.28Å; Y223-S275 WeakPolarHBondContact CD1-O 3.37Å; Y223-S275 PolarHBondContact N-O 2.98Å; Y223-S275 WeakPolarHBondContact O-CB 3.25Å; Y223-S275 PolarHBondContact O-OG 3.24Å; Y223-L278 HydrophobicContact CD1-CD2 3.82Å; Y223-L278 HydrophobicContact CE1-CD2 4.31Å
224C98.9Very high98.6Very high0 Ų028.9 Ų28.90%018%0.176CC..EExtended strand (participates in β ladder)trans-127.7162.816775.20000110.9S66 M70 Q233 I234 F236 Y266S66-C224 PolarHBondContact OG-SG 3.08Å; M70-C224 HydrophobicContact CB-CB 4.21Å; M70-C224 HydrophobicContact CE-CB 4.5Å; M70-C224 HydrophobicContact CG-CB 3.73Å; C224-Q233 VanDerWaalsContact O-CA 3.28Å; C224-Q233 WeakPolarHBondContact O-CA 3.25Å; C224-Q233 WeakPolarHBondContact O-CB 3.26Å; C224-I234 PolarHBondContact N-O 3.44Å; C224-I234 PolarHBondContact O-N 2.83Å; C224-I234 VanDerWaalsContact O-N 3.1Å; C224-F236 HydrophobicContact CB-CE2 4Å; C224-F236 HydrophobicContact CB-CZ 4.48Å; C224-Y266 WeakPolarHBondContact CA-OH 3.26Å; C224-Y266 HydrophobicContact CB-CE1 3.86Å
225T98.9Very high98.6Very high71 Ų7124.2 Ų24.244%0.43615%0.147SC..EExtended strand (participates in β ladder)trans-94.5132171.358.20000109.8S66 Y223 Y266S66-T225 WeakPolarHBondContact CB-O 3.23Å; S66-T225 PolarHBondContact OG-O 2.81Å; Y223-T225 HydrophobicContact CE2-CG2 4.39Å; T225-Y266 PolarHBondContact N-OH 3.1Å; T225-Y266 VanDerWaalsContact N-OH 3.13Å; T225-Y266 PolarHBondContact OG1-OH 2.93Å
226I98.8Very high98.6Very high1 Ų123.3 Ų23.31%0.00514%0.143CC..  trans-149.1106.2179.9170.4162.3000107.3T228 Y229 G232 I234I226-T228 PolarHBondContact O-N 2.75Å; I226-T228 VanDerWaalsContact O-N 3.12Å; I226-Y229 HydrophobicContact CD1-CD1 4.12Å; I226-Y229 HydrophobicContact CD1-CD2 4.14Å; I226-Y229 HydrophobicContact CD1-CE1 4.06Å; I226-Y229 HydrophobicContact CD1-CE2 4.12Å; I226-Y229 HydrophobicContact CD1-CG 4.17Å; I226-Y229 HydrophobicContact CG1-CD1 4.38Å; I226-Y229 HydrophobicContact CG1-CD2 4.41Å; I226-Y229 HydrophobicContact CG1-CG 4.19Å; I226-Y229 HydrophobicContact CG2-CD2 3.49Å; I226-Y229 VanDerWaalsContact CG2-CD2 3.49Å; I226-Y229 HydrophobicContact CG2-CE2 4.27Å; I226-Y229 HydrophobicContact CG2-CG 3.82Å; I226-Y229 PolarHBondContact O-N 3.29Å; I226-G232 CarbonylContact C-O 3.52Å; I226-G232 PolarHBondContact N-O 2.81Å; I226-G232 CarbonylContact O-C 3.09Å; I226-G232 WeakPolarHBondContact O-CA 3.4Å; I226-I234 HydrophobicContact CG2-CG2 4.12Å
227P98.8Very high98.6Very high73 Ų7323 Ų2347%0.47414%0.141SC..THydrogen-bonded Turntrans-55.1-32.9-169.7-30.635.9000115.4M21 D63M21-P227 VanDerWaalsContact SD-O 3.38Å; D63-P227 WeakPolarHBondContact OD2-CD 3.12Å
228T98.7Very high98.7Very high0 Ų019.2 Ų19.20%012%0.117CC..THydrogen-bonded Turntrans-85.8-4.2-172.956.10000115.4M21 L23 Y47 T60 D63 I226M21-T228 HydrophobicContact CE-CG2 3.69Å; M21-T228 VanDerWaalsContact SD-CA 3.58Å; L23-T228 HydrophobicContact CD1-CG2 4.48Å; Y47-T228 HydrophobicContact CD1-CG2 3.47Å; Y47-T228 VanDerWaalsContact CD1-CG2 3.47Å; Y47-T228 HydrophobicContact CE1-CG2 3.51Å; Y47-T228 HydrophobicContact CG-CG2 4.36Å; T60-T228 HydrophobicContact CG2-CG2 3.53Å; D63-T228 PolarHBondContact OD1-OG1 3.13Å; D63-T228 VanDerWaalsContact OD2-CB 3.3Å; D63-T228 WeakPolarHBondContact OD2-CB 3.2Å; D63-T228 WeakPolarHBondContact OD2-CG2 3.35Å; D63-T228 PolarHBondContact OD2-N 3.06Å; D63-T228 PolarHBondContact OD2-OG1 3.4Å; I226-T228 PolarHBondContact O-N 2.75Å; I226-T228 VanDerWaalsContact O-N 3.12Å
229Y98.6Very high98.7Very high23 Ų2317.9 Ų17.99%0.0911%0.109CC..SBendtrans-91.1157.2172.5-75.10.8000112Q58 Y67 I226 S231 G232 I234Q58-Y229 WeakPolarHBondContact O-CE1 3.33Å; Q58-Y229 PolarHBondContact O-OH 2.72Å; Y67-Y229 AromaticContact CD2-CE2 3.64Å; Y67-Y229 HydrophobicContact CD2-CE2 3.64Å; Y67-Y229 HydrophobicContact CE2-CE2 4Å; Y67-Y229 HydrophobicContact CG-CE2 4.14Å; I226-Y229 HydrophobicContact CD1-CD1 4.12Å; I226-Y229 HydrophobicContact CD1-CD2 4.14Å; I226-Y229 HydrophobicContact CD1-CE1 4.06Å; I226-Y229 HydrophobicContact CD1-CE2 4.12Å; I226-Y229 HydrophobicContact CD1-CG 4.17Å; I226-Y229 HydrophobicContact CG1-CD1 4.38Å; I226-Y229 HydrophobicContact CG1-CD2 4.41Å; I226-Y229 HydrophobicContact CG1-CG 4.19Å; I226-Y229 HydrophobicContact CG2-CD2 3.49Å; I226-Y229 VanDerWaalsContact CG2-CD2 3.49Å; I226-Y229 HydrophobicContact CG2-CE2 4.27Å; I226-Y229 HydrophobicContact CG2-CG 3.82Å; I226-Y229 PolarHBondContact O-N 3.29Å; Y229-S231 PolarHBondContact O-N 2.77Å; Y229-G232 WeakPolarHBondContact O-CA 3.39Å; Y229-G232 PolarHBondContact O-N 3.42Å; Y229-I234 HydrophobicContact CD2-CB 3.78Å; Y229-I234 HydrophobicContact CD2-CD1 3.47Å; Y229-I234 VanDerWaalsContact CD2-CD1 3.47Å; Y229-I234 HydrophobicContact CD2-CG1 4.26Å; Y229-I234 HydrophobicContact CD2-CG2 3.71Å; Y229-I234 HydrophobicContact CE2-CB 4.34Å; Y229-I234 HydrophobicContact CE2-CD1 3.64Å; Y229-I234 HydrophobicContact CE2-CG2 3.89Å; Y229-I234 HydrophobicContact CG-CD1 4.48Å
230P98.3Very high98.7Very high16 Ų1617.2 Ų17.210%0.10410%0.104CC..G310 helixtrans-51.9124.9178.7-2935.6000113W16 L200 G232W16-P230 HydrophobicContact CB-CB 4.46Å; W16-P230 HydrophobicContact CD2-CB 3.83Å; W16-P230 HydrophobicContact CD2-CG 3.64Å; W16-P230 HydrophobicContact CE3-CB 3.93Å; W16-P230 HydrophobicContact CE3-CG 3.61Å; W16-P230 HydrophobicContact CG-CB 4.11Å; W16-P230 HydrophobicContact CG-CG 4.37Å; W16-P230 HydrophobicContact CH2-CG 3.72Å; W16-P230 HydrophobicContact CZ2-CG 3.72Å; W16-P230 HydrophobicContact CZ3-CB 4.44Å; W16-P230 HydrophobicContact CZ3-CG 3.66Å; L200-P230 HydrophobicContact CD1-CB 3.73Å; P230-G232 PolarHBondContact O-N 3.15Å
231S98.4Very high98.7Very high52 Ų5219.1 Ų19.136%0.36411%0.112SC..G310 helixtrans62.817.8-174.3-58.20000115.4Q19 L200 Y229 Q233Q19-S231 PolarHBondContact NE2-OG 3.2Å; L200-S231 WeakPolarHBondContact CD1-OG 3.05Å; L200-S231 WeakPolarHBondContact CG-OG 3.21Å; Y229-S231 PolarHBondContact O-N 2.77Å; S231-Q233 VanDerWaalsContact C-N 3.33Å; S231-Q233 PolarHBondContact O-N 3.13Å
232G98.6Very high98.7Very high28 Ų2821.4 Ų21.429%0.28912%0.124SC..G310 helixtrans74.813167.300000115.8I226 Y229 P230I226-G232 CarbonylContact C-O 3.52Å; I226-G232 PolarHBondContact N-O 2.81Å; I226-G232 CarbonylContact O-C 3.09Å; I226-G232 WeakPolarHBondContact O-CA 3.4Å; Y229-G232 WeakPolarHBondContact O-CA 3.39Å; Y229-G232 PolarHBondContact O-N 3.42Å; P230-G232 PolarHBondContact O-N 3.15Å
233Q98.8Very high98.7Very high21 Ų2124.3 Ų24.310%0.09815%0.148CC..EExtended strand (participates in β ladder)trans-161.1160.6-179.655.7167.398.700112C197 W199 Y223 C224 S231C197-Q233 PolarHBondContact SG-O 2.9Å; W199-Q233 VanDerWaalsContact CD1-CD 3.43Å; Y223-Q233 HydrophobicContact CD2-CB 4.33Å; Y223-Q233 VanDerWaalsContact CD2-NE2 3.26Å; C224-Q233 VanDerWaalsContact O-CA 3.28Å; C224-Q233 WeakPolarHBondContact O-CA 3.25Å; C224-Q233 WeakPolarHBondContact O-CB 3.26Å; S231-Q233 VanDerWaalsContact C-N 3.33Å; S231-Q233 PolarHBondContact O-N 3.13Å
234I98.8Very high98.6Very high9 Ų929.1 Ų29.15%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-147.8157.3175.4-154.1156.2000112.1Y67 Q194 Y223 C224 I226 Y229 F236Y67-I234 HydrophobicContact CD2-CG2 3.69Å; Y67-I234 HydrophobicContact CE2-CG2 4.02Å; Q194-I234 HydrophobicContact CG-CD1 3.88Å; Q194-I234 HydrophobicContact CG-CG1 4.33Å; Y223-I234 CarbonylContact C-O 3.56Å; Y223-I234 WeakPolarHBondContact CA-O 3.26Å; Y223-I234 VanDerWaalsContact CB-O 3.28Å; Y223-I234 WeakPolarHBondContact CB-O 3.44Å; C224-I234 PolarHBondContact N-O 3.44Å; C224-I234 PolarHBondContact O-N 2.83Å; C224-I234 VanDerWaalsContact O-N 3.1Å; I226-I234 HydrophobicContact CG2-CG2 4.12Å; Y229-I234 HydrophobicContact CD2-CB 3.78Å; Y229-I234 HydrophobicContact CD2-CD1 3.47Å; Y229-I234 VanDerWaalsContact CD2-CD1 3.47Å; Y229-I234 HydrophobicContact CD2-CG1 4.26Å; Y229-I234 HydrophobicContact CD2-CG2 3.71Å; Y229-I234 HydrophobicContact CE2-CB 4.34Å; Y229-I234 HydrophobicContact CE2-CD1 3.64Å; Y229-I234 HydrophobicContact CE2-CG2 3.89Å; Y229-I234 HydrophobicContact CG-CD1 4.48Å; I234-F236 HydrophobicContact CG2-CZ 4.21Å
235G98.7Very high98.6Very high0 Ų029.9 Ų29.90%018%0.177CC..EExtended strand (participates in β ladder)trans-101168.7-176.900000114.5G195 E196 Y221 A222G195-G235 PolarHBondContact N-O 3.01Å; E196-G235 VanDerWaalsContact O-CA 3.26Å; E196-G235 WeakPolarHBondContact O-CA 3.21Å; E196-G235 PolarHBondContact O-N 3.29Å; Y221-G235 VanDerWaalsContact OH-CA 3.23Å; Y221-G235 WeakPolarHBondContact OH-CA 3.35Å; A222-G235 CarbonylContact O-C 3.55Å; A222-G235 WeakPolarHBondContact O-CA 3.37Å
236F98.8Very high98.4Very high0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-136125.1175-51.8-74.2000110Y67 M70 I71 L74 C193 Y221 A222 C224 I234Y67-F236 AromaticContact CD2-CE1 3.79Å; Y67-F236 HydrophobicContact CD2-CE1 3.79Å; Y67-F236 AromaticContact CD2-CZ 3.93Å; Y67-F236 HydrophobicContact CD2-CZ 3.93Å; Y67-F236 AromaticContact CE2-CE1 3.63Å; Y67-F236 HydrophobicContact CE2-CE1 3.63Å; Y67-F236 HydrophobicContact CE2-CZ 4.25Å; M70-F236 HydrophobicContact CB-CE2 3.72Å; M70-F236 HydrophobicContact CB-CZ 3.83Å; I71-F236 HydrophobicContact CB-CD1 3.97Å; I71-F236 HydrophobicContact CB-CE1 3.61Å; I71-F236 HydrophobicContact CB-CZ 4.41Å; I71-F236 HydrophobicContact CD1-CD1 4.1Å; I71-F236 HydrophobicContact CD1-CE1 4.12Å; I71-F236 HydrophobicContact CG1-CD1 3.82Å; I71-F236 HydrophobicContact CG1-CE1 3.92Å; L74-F236 HydrophobicContact CD1-CB 4.16Å; L74-F236 HydrophobicContact CD1-CD2 3.55Å; L74-F236 HydrophobicContact CD1-CE2 4.19Å; L74-F236 HydrophobicContact CD1-CG 3.97Å; C193-F236 CarbonylContact O-C 3.51Å; C193-F236 VanDerWaalsContact O-CA 3.23Å; C193-F236 WeakPolarHBondContact O-CA 3.45Å; Y221-F236 WeakPolarHBondContact CA-O 3.41Å; A222-F236 HydrophobicContact CB-CD2 4.43Å; A222-F236 PolarHBondContact N-O 2.99Å; A222-F236 VanDerWaalsContact N-O 3.13Å; A222-F236 PolarHBondContact O-N 3.25Å; C224-F236 HydrophobicContact CB-CE2 4Å; C224-F236 HydrophobicContact CB-CZ 4.48Å; I234-F236 HydrophobicContact CG2-CZ 4.21Å
237M98.8Very high98.4Very high1 Ų130.6 Ų30.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-85.8119.1170.7-174.65964.300109Y178 C192 C193 M208 R209 V219 Y221Y178-M237 HydrophobicContact CE1-CG 4.24Å; C192-M237 WeakPolarHBondContact CA-O 3.38Å; C193-M237 PolarHBondContact N-O 3.14Å; C193-M237 PolarHBondContact O-N 3.11Å; M208-M237 HydrophobicContact CB-CE 3.88Å; R209-M237 HydrophobicContact CB-CE 4Å; V219-M237 HydrophobicContact CG1-SD 3.64Å; Y221-M237 HydrophobicContact CD2-CE 4.44Å
238L98.9Very high98.4Very high0 Ų032.8 Ų32.80%018%0.18CC..EExtended strand (participates in β ladder)trans-113.4128.9180-72.3139.1000109.7L74 P75 L191 C192 V219 D220 A222 F247 F276L74-L238 HydrophobicContact CB-CD1 4.49Å; L74-L238 HydrophobicContact CB-CD2 4.12Å; L74-L238 HydrophobicContact CD1-CD1 4.33Å; P75-L238 HydrophobicContact CB-CD2 4.38Å; L191-L238 WeakPolarHBondContact O-CA 3.27Å; C192-L238 HydrophobicContact CB-CD2 3.87Å; C192-L238 HydrophobicContact CB-CG 4.49Å; V219-L238 CarbonylContact C-O 3.53Å; V219-L238 WeakPolarHBondContact CA-O 3.41Å; D220-L238 PolarHBondContact N-O 2.82Å; D220-L238 PolarHBondContact O-N 2.68Å; A222-L238 HydrophobicContact CB-CD1 3.96Å; L238-F247 HydrophobicContact CB-CD1 3.98Å; L238-F247 HydrophobicContact CB-CD2 4.02Å; L238-F247 HydrophobicContact CB-CE1 3.88Å; L238-F247 HydrophobicContact CB-CE2 3.91Å; L238-F247 HydrophobicContact CB-CG 4.07Å; L238-F247 HydrophobicContact CB-CZ 3.85Å; L238-F247 HydrophobicContact CD2-CD1 3.95Å; L238-F247 HydrophobicContact CD2-CE1 3.84Å; L238-F247 HydrophobicContact CG-CD1 4.39Å; L238-F247 HydrophobicContact CG-CE1 4.45Å; L238-F276 HydrophobicContact CD1-CE1 3.63Å; L238-F276 HydrophobicContact CD1-CZ 3.73Å
239C98.9Very high98.3Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-135.2144.8176-500000111.1I190 L191 F216 V218 V219I190-C239 CarbonylContact C-O 3.45Å; I190-C239 WeakPolarHBondContact CA-O 3.45Å; L191-C239 HydrophobicContact CD1-CB 3.71Å; L191-C239 HydrophobicContact CD2-CB 4.18Å; L191-C239 HydrophobicContact CG-CB 3.78Å; L191-C239 PolarHBondContact N-O 3.13Å; L191-C239 PolarHBondContact O-N 3.07Å; L191-C239 VanDerWaalsContact O-N 3.08Å; F216-C239 HydrophobicContact CB-CB 3.9Å; F216-C239 HydrophobicContact CD1-CB 3.96Å; F216-C239 HydrophobicContact CD2-CB 3.55Å; F216-C239 HydrophobicContact CE1-CB 4.38Å; F216-C239 HydrophobicContact CE2-CB 4.03Å; F216-C239 HydrophobicContact CG-CB 3.52Å; F216-C239 HydrophobicContact CZ-CB 4.42Å; V218-C239 CarbonylContact O-C 3.58Å; V218-C239 VanDerWaalsContact O-CA 3.3Å; V218-C239 WeakPolarHBondContact O-CA 3.37Å; V219-C239 HydrophobicContact CG2-CB 4.45Å
240S98.8Very high98.3Very high0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans-128.4141179-176.20000111.3P217 V218 N242 T245P217-S240 WeakPolarHBondContact CD-O 3.08Å; P217-S240 WeakPolarHBondContact CG-O 3.39Å; V218-S240 PolarHBondContact O-N 3.37Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact OG-N 3.44Å; S240-N242 PolarHBondContact OG-O 3.02Å; S240-T245 WeakPolarHBondContact CB-OG1 3.38Å; S240-T245 WeakPolarHBondContact OG-CB 3.33Å; S240-T245 PolarHBondContact OG-OG1 3.33Å
241K98.7Very high98.3Very high56 Ų5638.8 Ų38.824%0.24322%0.216CC..SBendtrans-76.1-18.1166.4-72.3176.560.9175.40112.6K182 L185 R186 G189 F216 P217K182-K241 HydrophobicContact CG-CD 4.42Å; K182-K241 PolarHBondContact O-NZ 3.35Å; L185-K241 HydrophobicContact CB-CD 3.65Å; L185-K241 HydrophobicContact CD1-CD 4.38Å; L185-K241 PolarHBondContact O-NZ 3.2Å; R186-K241 WeakPolarHBondContact O-CD 3.44Å; R186-K241 WeakPolarHBondContact O-CE 3.43Å; R186-K241 PolarHBondContact O-NZ 3.45Å; G189-K241 PolarHBondContact O-N 2.99Å; F216-K241 HydrophobicContact CD1-CG 4.09Å; F216-K241 HydrophobicContact CE1-CG 4.08Å; P217-K241 WeakPolarHBondContact CG-O 3.48Å
242N98.3Very high98.3Very high48 Ų4838.2 Ų38.226%0.25721%0.206SC..  trans-87.5117.2176.4-179.6-10.4000110.3V218 S240 Q244 T245V218-N242 WeakPolarHBondContact CG2-O 3.36Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact OG-N 3.44Å; S240-N242 PolarHBondContact OG-O 3.02Å; N242-Q244 PolarHBondContact O-N 3.42Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.44Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.37Å; N242-Q244 PolarHBondContact OD1-N 2.97Å; N242-Q244 PolarHBondContact OD1-OE1 3.23Å; N242-T245 WeakPolarHBondContact CB-OG1 3.25Å; N242-T245 WeakPolarHBondContact O-CB 3.26Å; N242-T245 PolarHBondContact O-N 3.49Å; N242-T245 VanDerWaalsContact O-N 3.14Å; N242-T245 PolarHBondContact O-OG1 3.17Å
243A98Very high98.2Very high61 Ų6142.1 Ų42.150%0.50422%0.216SC..THydrogen-bonded Turntrans-65.9-15178.700000114.2P217P217-A243 HydrophobicContact CB-CB 3.85Å; P217-A243 HydrophobicContact CG-CB 4.21Å
244Q97.6Very high98.1Very high151 Ų15141.7 Ų41.771%0.70622%0.215SC*.THydrogen-bonded Turntrans-95.2-0.6177.1-62.97644.400113.2N242 T246N242-Q244 PolarHBondContact O-N 3.42Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.44Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.37Å; N242-Q244 PolarHBondContact OD1-N 2.97Å; N242-Q244 PolarHBondContact OD1-OE1 3.23Å; Q244-T246 PolarHBondContact O-N 2.96Å
245T98.3Very high98.1Very high17 Ų1743.9 Ų43.910%0.10423%0.231CC..  trans-62.8131.2177.1-67.20000111.4I190 S240 N242 F247I190-T245 HydrophobicContact CD1-CG2 3.85Å; S240-T245 WeakPolarHBondContact CB-OG1 3.38Å; S240-T245 WeakPolarHBondContact OG-CB 3.33Å; S240-T245 PolarHBondContact OG-OG1 3.33Å; N242-T245 WeakPolarHBondContact CB-OG1 3.25Å; N242-T245 WeakPolarHBondContact O-CB 3.26Å; N242-T245 PolarHBondContact O-N 3.49Å; N242-T245 VanDerWaalsContact O-N 3.14Å; N242-T245 PolarHBondContact O-OG1 3.17Å; T245-F247 HydrophobicContact CG2-CD1 4.01Å; T245-F247 HydrophobicContact CG2-CD2 4.24Å; T245-F247 HydrophobicContact CG2-CE1 3.81Å; T245-F247 HydrophobicContact CG2-CE2 4.07Å; T245-F247 HydrophobicContact CG2-CG 4.2Å; T245-F247 HydrophobicContact CG2-CZ 3.84Å
246T95.4Very high98Very high82 Ų8248.7 Ų48.750%0.50326%0.26SS..  trans-112.288.5174.651.70000110.3Q244 R248 D249Q244-T246 PolarHBondContact O-N 2.96Å; T246-R248 PolarHBondContact O-N 2.98Å; T246-D249 CarbonylContact O-C 3.55Å; T246-D249 PolarHBondContact O-N 2.73Å; T246-D249 PolarHBondContact OG1-O 2.77Å
247F98.4Very high98Very high4 Ų454.5 Ų54.52%0.01829%0.292CS..THydrogen-bonded Turntrans-61-31.6-179.4-74.4-58.8000113.7I190 V218 D220 L238 T245 D249 H272 F276I190-F247 HydrophobicContact CD1-CE1 3.93Å; I190-F247 HydrophobicContact CD1-CZ 4.37Å; I190-F247 HydrophobicContact CG1-CE1 4.28Å; I190-F247 HydrophobicContact CG1-CZ 4.29Å; I190-F247 HydrophobicContact CG2-CE1 3.63Å; I190-F247 HydrophobicContact CG2-CZ 3.91Å; V218-F247 HydrophobicContact CB-CE2 4.36Å; V218-F247 HydrophobicContact CG1-CD2 3.73Å; V218-F247 HydrophobicContact CG1-CE2 3.8Å; D220-F247 HydrophobicContact CB-CB 4.1Å; D220-F247 HydrophobicContact CB-CD2 3.95Å; D220-F247 HydrophobicContact CB-CG 4.4Å; L238-F247 HydrophobicContact CB-CD1 3.98Å; L238-F247 HydrophobicContact CB-CD2 4.02Å; L238-F247 HydrophobicContact CB-CE1 3.88Å; L238-F247 HydrophobicContact CB-CE2 3.91Å; L238-F247 HydrophobicContact CB-CG 4.07Å; L238-F247 HydrophobicContact CB-CZ 3.85Å; L238-F247 HydrophobicContact CD2-CD1 3.95Å; L238-F247 HydrophobicContact CD2-CE1 3.84Å; L238-F247 HydrophobicContact CG-CD1 4.39Å; L238-F247 HydrophobicContact CG-CE1 4.45Å; T245-F247 HydrophobicContact CG2-CD1 4.01Å; T245-F247 HydrophobicContact CG2-CD2 4.24Å; T245-F247 HydrophobicContact CG2-CE1 3.81Å; T245-F247 HydrophobicContact CG2-CE2 4.07Å; T245-F247 HydrophobicContact CG2-CG 4.2Å; T245-F247 HydrophobicContact CG2-CZ 3.84Å; F247-D249 PolarHBondContact O-N 3.39Å; F247-H272 PolarHBondContact O-NE2 3.21Å; F247-F276 HydrophobicContact CB-CE1 3.76Å; F247-F276 HydrophobicContact CB-CZ 3.8Å; F247-F276 WeakPolarHBondContact O-CE2 3.47Å; F247-F276 WeakPolarHBondContact O-CZ 3.19Å
248R98.2Very high98Very high120 Ų12058.4 Ų58.445%0.45331%0.31SS..THydrogen-bonded Turntrans-75.4-13.2-176.4-57.8-172.7179.2-148.8-12.8114.3D220 T246 R273 F276D220-R248 IonicContact OD1-NH2 3.97Å; D220-R248 PolarHBondContact OD1-NH2 3.22Å; D220-R248 WeakPolarHBondContact OD2-CG 3.42Å; D220-R248 IonicContact OD2-CZ 3.72Å; D220-R248 IonicContact OD2-NE 2.73Å; D220-R248 PolarHBondContact OD2-NE 2.99Å; D220-R248 IonicContact OD2-NH2 2.74Å; D220-R248 PolarHBondContact OD2-NH2 2.77Å; T246-R248 PolarHBondContact O-N 2.98Å; R248-R273 WeakPolarHBondContact O-CG 3.46Å; R248-F276 HydrophobicContact CB-CD2 4.4Å; R248-F276 HydrophobicContact CB-CG 4.4Å; R248-F276 HydrophobicContact CG-CB 3.86Å; R248-F276 HydrophobicContact CG-CD1 4.06Å; R248-F276 HydrophobicContact CG-CD2 4.27Å; R248-F276 HydrophobicContact CG-CG 3.81Å
249D97.8Very high98Very high78 Ų7859.7 Ų59.742%0.41732%0.317SS..SBendtrans-135.3106.9-179.6-167.333.6000108.6T246 F247 V251 R273T246-D249 CarbonylContact O-C 3.55Å; T246-D249 PolarHBondContact O-N 2.73Å; T246-D249 PolarHBondContact OG1-O 2.77Å; F247-D249 PolarHBondContact O-N 3.39Å; D249-V251 PolarHBondContact O-N 2.82Å; D249-R273 IonicContact OD1-CZ 2.84Å; D249-R273 VanDerWaalsContact OD1-CZ 3.31Å; D249-R273 IonicContact OD1-NE 3.38Å; D249-R273 PolarHBondContact OD1-NE 3.09Å; D249-R273 IonicContact OD1-NH2 3.13Å; D249-R273 PolarHBondContact OD1-NH2 2.88Å
250P97.8Very high97.9Very high3 Ų366.2 Ų66.22%0.01935%0.348CS..  trans-65.5120.2-169.921.6-27.5000110.9C77 R252 E253 P269 H272C77-P250 HydrophobicContact CB-CB 3.92Å; C77-P250 CarbonylContact O-C 3.58Å; P250-R252 PolarHBondContact O-N 2.75Å; P250-E253 HydrophobicContact CG-CG 4.27Å; P250-E253 WeakPolarHBondContact O-CG 3.5Å; P250-P269 HydrophobicContact CG-CB 4.45Å; P250-H272 HydrophobicContact CG-CB 4.33Å
251V98.1Very high97.9Very high84 Ų8470.8 Ų70.851%0.50938%0.38SS..SBendtrans-62.1-24.8177.771.60000112.6C77 S78 P80 D249C77-V251 WeakPolarHBondContact O-CG1 3.46Å; C77-V251 PolarHBondContact O-N 2.95Å; C77-V251 VanDerWaalsContact O-N 3.07Å; S78-V251 VanDerWaalsContact C-CG1 3.49Å; S78-V251 WeakPolarHBondContact O-CG1 3.47Å; P80-V251 HydrophobicContact CB-CG1 4.37Å; D249-V251 PolarHBondContact O-N 2.82Å
252R97.7Very high97.8Very high39 Ų3969 Ų6915%0.14737%0.373CS..SBendtrans-111.996167.9-60.7-165.9-61.3122.1-2.7109.4L76 C77 H79 P80 H102 P250L76-R252 VanDerWaalsContact C-NH2 3.27Å; L76-R252 PolarHBondContact O-NE 2.83Å; L76-R252 PolarHBondContact O-NH2 3.15Å; C77-R252 WeakPolarHBondContact CB-O 3.21Å; C77-R252 PolarHBondContact O-N 3.34Å; H79-R252 WeakPolarHBondContact O-CD 3.44Å; H79-R252 PolarHBondContact O-NE 3.42Å; P80-R252 WeakPolarHBondContact O-CD 3.35Å; H102-R252 PolarHBondContact ND1-NH1 3.1Å; H102-R252 PolarHBondContact ND1-NH2 2.91Å; P250-R252 PolarHBondContact O-N 2.75Å
253E97Very high97.8Very high110 Ų11072.5 Ų72.551%0.51439%0.391SS..PPolyproline II helixtrans-78.2119.6173.1-61.5-159-13800110.8P250 S255 R273P250-E253 HydrophobicContact CG-CG 4.27Å; P250-E253 WeakPolarHBondContact O-CG 3.5Å; E253-S255 PolarHBondContact O-N 3.49Å; E253-R273 IonicContact OE1-NH2 3.15Å; E253-R273 PolarHBondContact OE1-NH2 3.2Å; E253-R273 IonicContact OE2-CZ 3.42Å; E253-R273 IonicContact OE2-NH1 3.83Å; E253-R273 PolarHBondContact OE2-NH1 3.28Å; E253-R273 IonicContact OE2-NH2 2.72Å; E253-R273 PolarHBondContact OE2-NH2 3.02Å
254L98Very high97.9Very high12 Ų1270.6 Ų70.66%0.06337%0.373CS..PPolyproline II helixtrans-73.9125.3172.7-57.5-176000109.7E258 V259 M262 L264 Y267 P269L254-E258 HydrophobicContact CB-CB 4.2Å; L254-E258 HydrophobicContact CD2-CB 4.47Å; L254-V259 HydrophobicContact CB-CG2 3.95Å; L254-M262 HydrophobicContact CD1-CE 4.4Å; L254-M262 HydrophobicContact CD1-SD 3.87Å; L254-M262 HydrophobicContact CD2-SD 4.41Å; L254-L264 HydrophobicContact CD1-CD1 3.9Å; L254-Y267 HydrophobicContact CD1-CD1 4.11Å; L254-Y267 HydrophobicContact CD1-CE1 3.78Å; L254-Y267 HydrophobicContact CG-CE1 4.38Å; L254-P269 HydrophobicContact CB-CG 4.49Å; L254-P269 VanDerWaalsContact O-CG 3.22Å; L254-P269 WeakPolarHBondContact O-CG 3.45Å
255S98.1Very high97.9Very high55 Ų5570.2 Ų70.239%0.38537%0.365SS..PPolyproline II helixtrans-65.9161.7170.263.50000111.7E253 N257 E258 V259E253-S255 PolarHBondContact O-N 3.49Å; S255-N257 PolarHBondContact O-N 2.87Å; S255-E258 WeakPolarHBondContact CB-OE2 3.42Å; S255-E258 PolarHBondContact N-OE2 2.62Å; S255-E258 WeakPolarHBondContact O-CB 3.13Å; S255-E258 PolarHBondContact O-N 2.7Å; S255-E258 WeakPolarHBondContact OG-CG 3.3Å; S255-E258 PolarHBondContact OG-N 3Å; S255-E258 PolarHBondContact OG-OE2 3Å; S255-V259 WeakPolarHBondContact O-CG2 3.35Å; S255-V259 PolarHBondContact O-N 2.59Å
256T97.5Very high97.9Very high101 Ų10171.7 Ų71.762%0.6237%0.369SS*.Hα-helixtrans-52.9-41.7174.2-51.50000112E258 V259 E260T256-E258 VanDerWaalsContact C-N 3.35Å; T256-E258 PolarHBondContact O-N 3.02Å; T256-V259 PolarHBondContact O-N 3.01Å; T256-E260 WeakPolarHBondContact O-CG 3.31Å; T256-E260 PolarHBondContact O-N 3.16Å
257N98.1Very high98.1Very high123 Ų12367.9 Ų67.966%0.65835%0.345SS*.Hα-helixtrans-64.7-38.4177.4-67.7-13.1000112.1S255 S261S255-N257 PolarHBondContact O-N 2.87Å; N257-S261 WeakPolarHBondContact O-CB 3.45Å; N257-S261 PolarHBondContact O-N 3.45Å; N257-S261 PolarHBondContact O-OG 3.25Å
258E98.1Very high98.1Very high83 Ų8370.1 Ų70.139%0.38836%0.357SS..Hα-helixtrans-66.7-45.6176-75.9165.1123.100110.9L254 S255 T256 E260 S261 M262L254-E258 HydrophobicContact CB-CB 4.2Å; L254-E258 HydrophobicContact CD2-CB 4.47Å; S255-E258 WeakPolarHBondContact CB-OE2 3.42Å; S255-E258 PolarHBondContact N-OE2 2.62Å; S255-E258 WeakPolarHBondContact O-CB 3.13Å; S255-E258 PolarHBondContact O-N 2.7Å; S255-E258 WeakPolarHBondContact OG-CG 3.3Å; S255-E258 PolarHBondContact OG-N 3Å; S255-E258 PolarHBondContact OG-OE2 3Å; T256-E258 VanDerWaalsContact C-N 3.35Å; T256-E258 PolarHBondContact O-N 3.02Å; E258-E260 VanDerWaalsContact C-N 3.33Å; E258-E260 PolarHBondContact O-N 3.5Å; E258-S261 WeakPolarHBondContact CA-OG 3.34Å; E258-S261 PolarHBondContact O-N 3.38Å; E258-S261 PolarHBondContact O-OG 3.49Å; E258-M262 VanDerWaalsContact O-CB 3.3Å; E258-M262 WeakPolarHBondContact O-CB 3.39Å; E258-M262 VanDerWaalsContact O-CG 3.26Å; E258-M262 WeakPolarHBondContact O-CG 3.28Å; E258-M262 PolarHBondContact O-N 2.89Å
259V98.4Very high98.1Very high26 Ų2665.2 Ų65.216%0.15834%0.341CS..Hα-helixtrans-55.7-47.1175.4173.80000111.2L254 S255 T256 N263 L264 N268L254-V259 HydrophobicContact CB-CG2 3.95Å; S255-V259 WeakPolarHBondContact O-CG2 3.35Å; S255-V259 PolarHBondContact O-N 2.59Å; T256-V259 PolarHBondContact O-N 3.01Å; V259-N263 PolarHBondContact O-N 3.43Å; V259-L264 HydrophobicContact CG1-CB 4.08Å; V259-L264 HydrophobicContact CG1-CD1 4.44Å; V259-L264 HydrophobicContact CG2-CD1 4.45Å; V259-L264 PolarHBondContact O-N 2.73Å; V259-L264 VanDerWaalsContact O-N 3.14Å; V259-N268 HydrophobicContact CG2-CB 4.34Å
260E97.8Very high98.2Very high137 Ų13768.8 Ų68.864%0.6436%0.355SS*.Hα-helixtrans-64.8-46.1175.9-73.2178.5-173.500112.1T256 E258 M262 N263T256-E260 WeakPolarHBondContact O-CG 3.31Å; T256-E260 PolarHBondContact O-N 3.16Å; E258-E260 VanDerWaalsContact C-N 3.33Å; E258-E260 PolarHBondContact O-N 3.5Å; E260-M262 VanDerWaalsContact C-N 3.28Å; E260-M262 PolarHBondContact O-N 3.25Å; E260-N263 WeakPolarHBondContact O-CA 3.5Å; E260-N263 PolarHBondContact O-N 3.13Å
261S97.9Very high98.2Very high97 Ų9771.1 Ų71.168%0.67837%0.367SS*.Hα-helixtrans-65.7-30.9-178.673.90000113.3N257 E258 N263N257-S261 WeakPolarHBondContact O-CB 3.45Å; N257-S261 PolarHBondContact O-N 3.45Å; N257-S261 PolarHBondContact O-OG 3.25Å; E258-S261 WeakPolarHBondContact CA-OG 3.34Å; E258-S261 PolarHBondContact O-N 3.38Å; E258-S261 PolarHBondContact O-OG 3.49Å; S261-N263 PolarHBondContact O-N 3.28Å
262M98.3Very high98.3Very high19 Ų1967.1 Ų67.19%0.09434%0.343CS..THydrogen-bonded Turntrans-81.5-4.2174.6-69.9176.272.900112.2K101 H102 L254 E258 E260 L264K101-M262 HydrophobicContact CB-CE 3.7Å; K101-M262 HydrophobicContact CB-CG 4.29Å; K101-M262 HydrophobicContact CD-CB 4.16Å; K101-M262 HydrophobicContact CD-CE 4.29Å; K101-M262 WeakPolarHBondContact CD-O 3.34Å; K101-M262 WeakPolarHBondContact CE-O 3.36Å; K101-M262 PolarHBondContact NZ-O 3.14Å; H102-M262 WeakPolarHBondContact NE2-CE 3.13Å; L254-M262 HydrophobicContact CD1-CE 4.4Å; L254-M262 HydrophobicContact CD1-SD 3.87Å; L254-M262 HydrophobicContact CD2-SD 4.41Å; E258-M262 VanDerWaalsContact O-CB 3.3Å; E258-M262 WeakPolarHBondContact O-CB 3.39Å; E258-M262 VanDerWaalsContact O-CG 3.26Å; E258-M262 WeakPolarHBondContact O-CG 3.28Å; E258-M262 PolarHBondContact O-N 2.89Å; E260-M262 VanDerWaalsContact C-N 3.28Å; E260-M262 PolarHBondContact O-N 3.25Å; M262-L264 HydrophobicContact CB-CD1 4.22Å; M262-L264 HydrophobicContact CB-CD2 4.08Å; M262-L264 HydrophobicContact CB-CG 3.74Å; M262-L264 HydrophobicContact CE-CD1 4.48Å; M262-L264 HydrophobicContact CE-CD2 4.48Å; M262-L264 PolarHBondContact O-N 2.9Å; M262-L264 HydrophobicContact SD-CD1 4.43Å
263N98.1Very high98.3Very high120 Ų12068.8 Ų68.864%0.64235%0.349SS*.THydrogen-bonded Turntrans51.145-176.9-170.848.7000111.9V259 E260 S261V259-N263 PolarHBondContact O-N 3.43Å; E260-N263 WeakPolarHBondContact O-CA 3.5Å; E260-N263 PolarHBondContact O-N 3.13Å; S261-N263 PolarHBondContact O-N 3.28Å
264L98.7Very high98.4Very high21 Ų2165.7 Ų65.711%0.1134%0.342CS..  trans-76.4138178.6-58.8179.1000110E69 L254 V259 M262 Y267E69-L264 HydrophobicContact CG-CD2 3.96Å; L254-L264 HydrophobicContact CD1-CD1 3.9Å; V259-L264 HydrophobicContact CG1-CB 4.08Å; V259-L264 HydrophobicContact CG1-CD1 4.44Å; V259-L264 HydrophobicContact CG2-CD1 4.45Å; V259-L264 PolarHBondContact O-N 2.73Å; V259-L264 VanDerWaalsContact O-N 3.14Å; M262-L264 HydrophobicContact CB-CD1 4.22Å; M262-L264 HydrophobicContact CB-CD2 4.08Å; M262-L264 HydrophobicContact CB-CG 3.74Å; M262-L264 HydrophobicContact CE-CD1 4.48Å; M262-L264 HydrophobicContact CE-CD2 4.48Å; M262-L264 PolarHBondContact O-N 2.9Å; M262-L264 HydrophobicContact SD-CD1 4.43Å; L264-Y267 HydrophobicContact CD1-CD1 3.92Å
265R98.7Very high98.4Very high144 Ų14465.4 Ų65.454%0.54334%0.341SS..SBendtrans-113.9-17.8-175.1-66.317363.2-167.2-2.4112.6F65 E69F65-R265 HydrophobicContact CB-CB 4.37Å; F65-R265 VanDerWaalsContact CD1-NH1 3.29Å; F65-R265 HydrophobicContact CD2-CB 3.3Å; F65-R265 HydrophobicContact CD2-CG 4.46Å; F65-R265 HydrophobicContact CE2-CB 3.59Å; F65-R265 HydrophobicContact CG-CB 3.83Å; F65-R265 HydrophobicContact CZ-CB 4.32Å; E69-R265 PolarHBondContact OE1-N 3.26Å; E69-R265 PolarHBondContact OE2-N 2.93Å; E69-R265 VanDerWaalsContact OE2-N 3.13Å
266Y98.9Very high98.5Very high47 Ų4763 Ų6318%0.18432%0.324CS..SBendtrans-127.2-52.2179.4-170.3-85.6000112F65 S66 E69 M70 C224 T225 I271F65-Y266 HydrophobicContact CE2-CD2 4.41Å; S66-Y266 WeakPolarHBondContact OG-CD2 3.2Å; S66-Y266 VanDerWaalsContact OG-CE2 3.31Å; S66-Y266 WeakPolarHBondContact OG-CE2 3.28Å; E69-Y266 WeakPolarHBondContact OE2-CA 3.43Å; E69-Y266 PolarHBondContact OE2-N 2.85Å; M70-Y266 HydrophobicContact CE-CE1 4.37Å; M70-Y266 HydrophobicContact CG-CD1 3.47Å; M70-Y266 VanDerWaalsContact CG-CD1 3.47Å; M70-Y266 HydrophobicContact CG-CE1 3.49Å; M70-Y266 VanDerWaalsContact CG-CE1 3.49Å; M70-Y266 HydrophobicContact SD-CD1 3.58Å; M70-Y266 VanDerWaalsContact SD-CD1 3.58Å; M70-Y266 HydrophobicContact SD-CE1 3.52Å; M70-Y266 VanDerWaalsContact SD-CE1 3.52Å; C224-Y266 WeakPolarHBondContact CA-OH 3.26Å; C224-Y266 HydrophobicContact CB-CE1 3.86Å; T225-Y266 PolarHBondContact N-OH 3.1Å; T225-Y266 VanDerWaalsContact N-OH 3.13Å; T225-Y266 PolarHBondContact OG1-OH 2.93Å; Y266-I271 HydrophobicContact CD1-CG2 3.84Å; Y266-I271 HydrophobicContact CE1-CG2 3.47Å; Y266-I271 VanDerWaalsContact CE1-CG2 3.47Å
267Y98.9Very high98.5Very high2 Ų264 Ų641%0.00832%0.324CS..  trans-73.7132.4-173.6-178.1-85.1000112.1E69 M70 N73 C77 L254 L264 H272E69-Y267 PolarHBondContact OE2-N 3.28Å; M70-Y267 HydrophobicContact SD-CD2 3.71Å; N73-Y267 HydrophobicContact CB-CD1 3.71Å; N73-Y267 HydrophobicContact CB-CD2 3.44Å; N73-Y267 VanDerWaalsContact CB-CD2 3.44Å; N73-Y267 HydrophobicContact CB-CE1 3.71Å; N73-Y267 HydrophobicContact CB-CE2 3.43Å; N73-Y267 VanDerWaalsContact CB-CE2 3.43Å; N73-Y267 HydrophobicContact CB-CG 3.57Å; C77-Y267 WeakPolarHBondContact CB-OH 3.42Å; C77-Y267 PolarHBondContact SG-OH 3.29Å; L254-Y267 HydrophobicContact CD1-CD1 4.11Å; L254-Y267 HydrophobicContact CD1-CE1 3.78Å; L254-Y267 HydrophobicContact CG-CE1 4.38Å; L264-Y267 HydrophobicContact CD1-CD1 3.92Å; Y267-H272 HydrophobicContact CE2-CB 3.77Å; Y267-H272 AromaticContact CE2-CG 4Å; Y267-H272 AromaticContact CE2-ND1 3.45Å; Y267-H272 WeakPolarHBondContact CE2-ND1 3.17Å; Y267-H272 AromaticContact CZ-ND1 3.53Å; Y267-H272 PolarHBondContact OH-ND1 3.33Å
268N98.8Very high98.5Very high52 Ų5258.9 Ų58.928%0.27830%0.296SS..  trans-152.7170.3161.963.353.3000108.4V259 E270 I271 H272V259-N268 HydrophobicContact CG2-CB 4.34Å; N268-E270 VanDerWaalsContact C-N 3.26Å; N268-E270 PolarHBondContact O-N 2.77Å; N268-E270 WeakPolarHBondContact OD1-CA 3.37Å; N268-E270 WeakPolarHBondContact OD1-CB 3.39Å; N268-E270 PolarHBondContact OD1-N 3.37Å; N268-I271 PolarHBondContact O-N 2.97Å; N268-I271 WeakPolarHBondContact OD1-CG1 3.28Å; N268-I271 PolarHBondContact OD1-N 3.36Å; N268-H272 PolarHBondContact O-N 3.11Å
269P98.6Very high98.5Very high17 Ų1756.8 Ų56.811%0.1129%0.29CS..Hα-helixtrans-59.9-29.4-177.8-26.535.4000115P250 L254 R273P250-P269 HydrophobicContact CG-CB 4.45Å; L254-P269 HydrophobicContact CB-CG 4.49Å; L254-P269 VanDerWaalsContact O-CG 3.22Å; L254-P269 WeakPolarHBondContact O-CG 3.45Å; P269-R273 WeakPolarHBondContact O-CG 3.35Å; P269-R273 PolarHBondContact O-N 3.47Å; P269-R273 PolarHBondContact O-NH1 3.14Å
270E98.8Very high98.5Very high152 Ų15260 Ų6071%0.7130%0.304SS*.Hα-helixtrans-72.9-43.5176.7-63.6-178.2-174.600111.2N268 H272 R273 A274N268-E270 VanDerWaalsContact C-N 3.26Å; N268-E270 PolarHBondContact O-N 2.77Å; N268-E270 WeakPolarHBondContact OD1-CA 3.37Å; N268-E270 WeakPolarHBondContact OD1-CB 3.39Å; N268-E270 PolarHBondContact OD1-N 3.37Å; E270-H272 VanDerWaalsContact C-N 3.33Å; E270-H272 PolarHBondContact O-N 3.19Å; E270-R273 PolarHBondContact O-N 2.99Å; E270-A274 WeakPolarHBondContact O-CB 3.23Å; E270-A274 PolarHBondContact O-N 2.92Å
271I98.8Very high98.5Very high52 Ų5257.1 Ų57.127%0.26729%0.289SS..Hα-helixtrans-61.4-42.4173.5-68.1-65.2000110.6M70 Y266 N268 R273 A274 S275M70-I271 HydrophobicContact CE-CG2 4.36Å; M70-I271 HydrophobicContact SD-CG2 3.85Å; Y266-I271 HydrophobicContact CD1-CG2 3.84Å; Y266-I271 HydrophobicContact CE1-CG2 3.47Å; Y266-I271 VanDerWaalsContact CE1-CG2 3.47Å; N268-I271 PolarHBondContact O-N 2.97Å; N268-I271 WeakPolarHBondContact OD1-CG1 3.28Å; N268-I271 PolarHBondContact OD1-N 3.36Å; I271-R273 VanDerWaalsContact C-N 3.35Å; I271-R273 PolarHBondContact O-N 2.77Å; I271-A274 PolarHBondContact O-N 3.02Å; I271-S275 WeakPolarHBondContact O-CB 3.43Å; I271-S275 PolarHBondContact O-N 3.47Å; I271-S275 PolarHBondContact O-OG 3.01Å
272H98.9Very high98.4Very high0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-51.5-53.7173.7-174.2118.5000111.1F247 P250 Y267 N268 E270 S275 F276F247-H272 PolarHBondContact O-NE2 3.21Å; P250-H272 HydrophobicContact CG-CB 4.33Å; Y267-H272 HydrophobicContact CE2-CB 3.77Å; Y267-H272 AromaticContact CE2-CG 4Å; Y267-H272 AromaticContact CE2-ND1 3.45Å; Y267-H272 WeakPolarHBondContact CE2-ND1 3.17Å; Y267-H272 AromaticContact CZ-ND1 3.53Å; Y267-H272 PolarHBondContact OH-ND1 3.33Å; N268-H272 PolarHBondContact O-N 3.11Å; E270-H272 VanDerWaalsContact C-N 3.33Å; E270-H272 PolarHBondContact O-N 3.19Å; H272-S275 PolarHBondContact O-N 3.31Å; H272-F276 AromaticContact CD2-CE2 3.67Å; H272-F276 AromaticContact NE2-CE2 3.76Å; H272-F276 WeakPolarHBondContact O-CD2 3.41Å; H272-F276 WeakPolarHBondContact O-CE2 3.26Å
273R98.8Very high98.2Very high75 Ų7556.5 Ų56.528%0.28327%0.271SS..Hα-helixtrans-63.2-45.2179.7-66.1175.9-179.6108.5-4.9111.9R248 D249 E253 P269 E270 I271 S275 F276R248-R273 WeakPolarHBondContact O-CG 3.46Å; D249-R273 IonicContact OD1-CZ 2.84Å; D249-R273 VanDerWaalsContact OD1-CZ 3.31Å; D249-R273 IonicContact OD1-NE 3.38Å; D249-R273 PolarHBondContact OD1-NE 3.09Å; D249-R273 IonicContact OD1-NH2 3.13Å; D249-R273 PolarHBondContact OD1-NH2 2.88Å; E253-R273 IonicContact OE1-NH2 3.15Å; E253-R273 PolarHBondContact OE1-NH2 3.2Å; E253-R273 IonicContact OE2-CZ 3.42Å; E253-R273 IonicContact OE2-NH1 3.83Å; E253-R273 PolarHBondContact OE2-NH1 3.28Å; E253-R273 IonicContact OE2-NH2 2.72Å; E253-R273 PolarHBondContact OE2-NH2 3.02Å; P269-R273 WeakPolarHBondContact O-CG 3.35Å; P269-R273 PolarHBondContact O-N 3.47Å; P269-R273 PolarHBondContact O-NH1 3.14Å; E270-R273 PolarHBondContact O-N 2.99Å; I271-R273 VanDerWaalsContact C-N 3.35Å; I271-R273 PolarHBondContact O-N 2.77Å; R273-S275 VanDerWaalsContact C-N 3.28Å; R273-S275 PolarHBondContact O-N 3.4Å; R273-F276 PolarHBondContact O-N 3.07Å
274A98.8Very high97.8Very high44 Ų4456.2 Ų56.236%0.36426%0.264SS..Hα-helixtrans-64.9-31.3-177.700000112.8E270 I271 F276 I277E270-A274 WeakPolarHBondContact O-CB 3.23Å; E270-A274 PolarHBondContact O-N 2.92Å; I271-A274 PolarHBondContact O-N 3.02Å; A274-F276 PolarHBondContact O-N 3.42Å; A274-F276 VanDerWaalsContact O-N 3.11Å; A274-I277 WeakPolarHBondContact O-CB 3.03Å; A274-I277 PolarHBondContact O-N 3.24Å
275S98.8Very high97.1Very high6 Ų656.7 Ų56.74%0.04227%0.268CS..THydrogen-bonded Turntrans-62.9-16.2179.7-80.60000114.7M70 A222 Y223 I271 H272 R273M70-S275 WeakPolarHBondContact CE-OG 3.2Å; A222-S275 CarbonylContact C-O 3.21Å; A222-S275 VanDerWaalsContact CA-O 3.26Å; A222-S275 WeakPolarHBondContact CA-O 3.29Å; Y223-S275 VanDerWaalsContact CD1-O 3.28Å; Y223-S275 WeakPolarHBondContact CD1-O 3.37Å; Y223-S275 PolarHBondContact N-O 2.98Å; Y223-S275 WeakPolarHBondContact O-CB 3.25Å; Y223-S275 PolarHBondContact O-OG 3.24Å; I271-S275 WeakPolarHBondContact O-CB 3.43Å; I271-S275 PolarHBondContact O-N 3.47Å; I271-S275 PolarHBondContact O-OG 3.01Å; H272-S275 PolarHBondContact O-N 3.31Å; R273-S275 VanDerWaalsContact C-N 3.28Å; R273-S275 PolarHBondContact O-N 3.4Å
276F98.6Very high95.7Very high4 Ų450.1 Ų50.12%0.01824%0.244CC..THydrogen-bonded Turntrans-93-4.2173.4-61.4-88.7000113.6L74 D220 A222 L238 F247 R248 H272 R273 A274 L278L74-F276 HydrophobicContact CD2-CE2 3.91Å; L74-F276 HydrophobicContact CD2-CZ 3.98Å; D220-F276 HydrophobicContact CB-CD1 4.23Å; D220-F276 HydrophobicContact CB-CE1 4.08Å; A222-F276 HydrophobicContact CB-CD1 3.93Å; A222-F276 HydrophobicContact CB-CE1 3.68Å; A222-F276 HydrophobicContact CB-CE2 4.27Å; A222-F276 HydrophobicContact CB-CG 4.35Å; A222-F276 HydrophobicContact CB-CZ 3.86Å; L238-F276 HydrophobicContact CD1-CE1 3.63Å; L238-F276 HydrophobicContact CD1-CZ 3.73Å; F247-F276 HydrophobicContact CB-CE1 3.76Å; F247-F276 HydrophobicContact CB-CZ 3.8Å; F247-F276 WeakPolarHBondContact O-CE2 3.47Å; F247-F276 WeakPolarHBondContact O-CZ 3.19Å; R248-F276 HydrophobicContact CB-CD2 4.4Å; R248-F276 HydrophobicContact CB-CG 4.4Å; R248-F276 HydrophobicContact CG-CB 3.86Å; R248-F276 HydrophobicContact CG-CD1 4.06Å; R248-F276 HydrophobicContact CG-CD2 4.27Å; R248-F276 HydrophobicContact CG-CG 3.81Å; H272-F276 AromaticContact CD2-CE2 3.67Å; H272-F276 AromaticContact NE2-CE2 3.76Å; H272-F276 WeakPolarHBondContact O-CD2 3.41Å; H272-F276 WeakPolarHBondContact O-CE2 3.26Å; R273-F276 PolarHBondContact O-N 3.07Å; A274-F276 PolarHBondContact O-N 3.42Å; A274-F276 VanDerWaalsContact O-N 3.11Å; F276-L278 PolarHBondContact O-N 3.37Å
277I98.3Very high94.1Very high122 Ų12251 Ų5163%0.62625%0.251SS*.  trans-84.992.3177.2-54.5178000108.3A274A274-I277 WeakPolarHBondContact O-CB 3.03Å; A274-I277 PolarHBondContact O-N 3.24Å
278L98.3Very high91.9Very high16 Ų1654.8 Ų54.88%0.08427%0.271CS..  trans-81.7145-178.7-50.7-177.6000111.5Y221 Y223 F276 A282 R283 T286Y221-L278 HydrophobicContact CD1-CD1 3.88Å; Y221-L278 HydrophobicContact CD1-CD2 3.81Å; Y221-L278 HydrophobicContact CE1-CD2 4.06Å; Y223-L278 HydrophobicContact CD1-CD2 3.82Å; Y223-L278 HydrophobicContact CE1-CD2 4.31Å; F276-L278 PolarHBondContact O-N 3.37Å; L278-A282 HydrophobicContact CB-CB 4.23Å; L278-R283 HydrophobicContact CB-CB 4.36Å; L278-T286 HydrophobicContact CD1-CG2 3.88Å
279P98.3Very high89.5Confident40 Ų4056.2 Ų56.226%0.2628%0.276SS..  trans-47.7147.7163.9-26.834000112.2Q198 F281 A282 R283Q198-P279 VanDerWaalsContact OE1-CD 3.28Å; P279-F281 HydrophobicContact CB-CD1 3.71Å; P279-F281 HydrophobicContact CB-CE1 3.47Å; P279-F281 VanDerWaalsContact CB-CE1 3.47Å; P279-F281 HydrophobicContact CB-CZ 4.34Å; P279-F281 HydrophobicContact CG-CE1 4.09Å; P279-F281 PolarHBondContact O-N 3.26Å; P279-F281 VanDerWaalsContact O-N 3.09Å; P279-A282 PolarHBondContact O-N 2.87Å; P279-R283 PolarHBondContact O-N 3.14Å
280E97.9Very high87Confident93 Ų9359.4 Ų59.444%0.43530%0.299SS..Hα-helixtrans-56.3-35.6-171179.658-163.500113.7R283 K284E280-R283 PolarHBondContact O-N 3.04Å; E280-R283 IonicContact OE1-CZ 2.86Å; E280-R283 IonicContact OE1-NE 3.31Å; E280-R283 IonicContact OE1-NH2 2.87Å; E280-R283 PolarHBondContact OE1-NH2 3.45Å; E280-R283 IonicContact OE2-CZ 2.77Å; E280-R283 IonicContact OE2-NE 3.97Å; E280-R283 PolarHBondContact OE2-NE 3.47Å; E280-R283 IonicContact OE2-NH2 3.78Å; E280-R283 PolarHBondContact OE2-NH2 3.5Å; E280-R283 VanDerWaalsContact OE2-NH2 3.15Å; E280-K284 WeakPolarHBondContact O-CG 3.43Å; E280-K284 PolarHBondContact O-N 3.43Å; E280-K284 VanDerWaalsContact O-N 3.07Å; E280-K284 WeakPolarHBondContact OE1-CE 3.32Å; E280-K284 IonicContact OE1-NZ 2.88Å
281F96.9Very high84.3Confident77 Ų7759.5 Ų59.534%0.33829%0.294SS..Hα-helixtrans-64.5-43.2178.475.2-92.8000111.9Q198 W199 L202 P279Q198-F281 WeakPolarHBondContact O-CE2 3.27Å; W199-F281 HydrophobicContact CD2-CE1 4.17Å; W199-F281 AromaticContact CD2-CZ 3.73Å; W199-F281 HydrophobicContact CD2-CZ 3.73Å; W199-F281 AromaticContact CE2-CE1 4Å; W199-F281 AromaticContact CE2-CZ 3.91Å; W199-F281 HydrophobicContact CE3-CE1 4.05Å; W199-F281 AromaticContact CE3-CZ 3.78Å; W199-F281 HydrophobicContact CE3-CZ 3.78Å; W199-F281 HydrophobicContact CG-CZ 4.3Å; W199-F281 AromaticContact CH2-CE1 3.65Å; W199-F281 HydrophobicContact CH2-CE1 3.65Å; W199-F281 HydrophobicContact CH2-CZ 4.2Å; W199-F281 AromaticContact CZ2-CE1 3.75Å; W199-F281 HydrophobicContact CZ2-CE1 3.75Å; W199-F281 HydrophobicContact CZ2-CZ 4.15Å; W199-F281 AromaticContact CZ3-CE1 3.8Å; W199-F281 HydrophobicContact CZ3-CE1 3.8Å; W199-F281 HydrophobicContact CZ3-CZ 4.02Å; L202-F281 HydrophobicContact CD2-CD2 3.88Å; L202-F281 HydrophobicContact CD2-CE2 4.14Å; P279-F281 HydrophobicContact CB-CD1 3.71Å; P279-F281 HydrophobicContact CB-CE1 3.47Å; P279-F281 VanDerWaalsContact CB-CE1 3.47Å; P279-F281 HydrophobicContact CB-CZ 4.34Å; P279-F281 HydrophobicContact CG-CE1 4.09Å; P279-F281 PolarHBondContact O-N 3.26Å; P279-F281 VanDerWaalsContact O-N 3.09Å
282A96.9Very high81.6Confident0 Ų062.6 Ų62.60%031%0.31CS..Hα-helixtrans-75.1-37.117800000111.6Q198 L202 L278 P279 K284 V285 T286Q198-A282 HydrophobicContact CB-CB 4.3Å; L202-A282 HydrophobicContact CD1-CB 4.02Å; L278-A282 HydrophobicContact CB-CB 4.23Å; P279-A282 PolarHBondContact O-N 2.87Å; A282-K284 VanDerWaalsContact C-N 3.32Å; A282-K284 PolarHBondContact O-N 3.39Å; A282-V285 PolarHBondContact O-N 3.38Å; A282-T286 WeakPolarHBondContact O-CG2 3.38Å; A282-T286 PolarHBondContact O-N 3.39Å; A282-T286 PolarHBondContact O-OG1 2.93Å
283R94.4Very high79Confident103 Ų10368.5 Ų68.539%0.38934%0.341SS..Hα-helixtrans-58-43.1175.6-166.9-16366.1862.6111.7L278 P279 E280 T286 L287L278-R283 HydrophobicContact CB-CB 4.36Å; P279-R283 PolarHBondContact O-N 3.14Å; E280-R283 PolarHBondContact O-N 3.04Å; E280-R283 IonicContact OE1-CZ 2.86Å; E280-R283 IonicContact OE1-NE 3.31Å; E280-R283 IonicContact OE1-NH2 2.87Å; E280-R283 PolarHBondContact OE1-NH2 3.45Å; E280-R283 IonicContact OE2-CZ 2.77Å; E280-R283 IonicContact OE2-NE 3.97Å; E280-R283 PolarHBondContact OE2-NE 3.47Å; E280-R283 IonicContact OE2-NH2 3.78Å; E280-R283 PolarHBondContact OE2-NH2 3.5Å; E280-R283 VanDerWaalsContact OE2-NH2 3.15Å; R283-T286 WeakPolarHBondContact CA-OG1 3.28Å; R283-T286 PolarHBondContact O-N 3.25Å; R283-T286 PolarHBondContact O-OG1 2.86Å; R283-L287 HydrophobicContact CG-CD1 3.65Å; R283-L287 HydrophobicContact CG-CG 4.39Å; R283-L287 WeakPolarHBondContact O-CB 3.11Å; R283-L287 VanDerWaalsContact O-CG 3.29Å; R283-L287 WeakPolarHBondContact O-CG 3.45Å; R283-L287 PolarHBondContact O-N 2.87Å; R283-L287 VanDerWaalsContact O-N 3.14Å
284K89.8Confident76.5Confident114 Ų11471.9 Ų71.950%0.49636%0.355SS..Hα-helixtrans-58.6-49.9176.4-75.1177.5-174.1-178.90111E280 A282 T286 L287 L288E280-K284 WeakPolarHBondContact O-CG 3.43Å; E280-K284 PolarHBondContact O-N 3.43Å; E280-K284 VanDerWaalsContact O-N 3.07Å; E280-K284 WeakPolarHBondContact OE1-CE 3.32Å; E280-K284 IonicContact OE1-NZ 2.88Å; A282-K284 VanDerWaalsContact C-N 3.32Å; A282-K284 PolarHBondContact O-N 3.39Å; K284-T286 PolarHBondContact O-N 2.77Å; K284-L287 PolarHBondContact O-N 2.8Å; K284-L288 HydrophobicContact CB-CD1 4.34Å; K284-L288 VanDerWaalsContact O-CB 3.25Å; K284-L288 WeakPolarHBondContact O-CB 3.32Å; K284-L288 VanDerWaalsContact O-CD1 3.23Å; K284-L288 WeakPolarHBondContact O-CD1 3.46Å; K284-L288 WeakPolarHBondContact O-CG 3.14Å; K284-L288 PolarHBondContact O-N 2.89Å
285V82.7Confident73.8Confident31 Ų3175.2 Ų75.219%0.18836%0.364CS..Hα-helixtrans-65.4-40.5-177.3177.60000112.3L202 K206 A282 L287L202-V285 HydrophobicContact CD1-CB 4.26Å; L202-V285 HydrophobicContact CD1-CG1 4.33Å; L202-V285 HydrophobicContact CD2-CB 4.13Å; L202-V285 HydrophobicContact CD2-CG2 3.72Å; L202-V285 HydrophobicContact CG-CB 4.16Å; L202-V285 HydrophobicContact CG-CG1 4.09Å; L202-V285 HydrophobicContact CG-CG2 4.21Å; K206-V285 HydrophobicContact CB-CG1 3.73Å; K206-V285 HydrophobicContact CD-CG1 3.72Å; K206-V285 HydrophobicContact CG-CG1 3.77Å; A282-V285 PolarHBondContact O-N 3.38Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.36Å
286T70Confident71.2Confident6 Ų678.9 Ų78.94%0.03739%0.39CS..Hα-helixtrans-73.7-19.9-178.752.50000113.9I205 R209 L278 A282 R283 K284I205-T286 HydrophobicContact CG2-CG2 4.47Å; R209-T286 PolarHBondContact NE-O 3.37Å; L278-T286 HydrophobicContact CD1-CG2 3.88Å; A282-T286 WeakPolarHBondContact O-CG2 3.38Å; A282-T286 PolarHBondContact O-N 3.39Å; A282-T286 PolarHBondContact O-OG1 2.93Å; R283-T286 WeakPolarHBondContact CA-OG1 3.28Å; R283-T286 PolarHBondContact O-N 3.25Å; R283-T286 PolarHBondContact O-OG1 2.86Å; K284-T286 PolarHBondContact O-N 2.77Å
287L65.1Low68.7Low65 Ų6581.9 Ų81.934%0.3441%0.406SS..Hα-helixtrans-101.4-18.6178.8-66.6175.5000114.8R283 K284 V285 Q289 S290R283-L287 HydrophobicContact CG-CD1 3.65Å; R283-L287 HydrophobicContact CG-CG 4.39Å; R283-L287 WeakPolarHBondContact O-CB 3.11Å; R283-L287 VanDerWaalsContact O-CG 3.29Å; R283-L287 WeakPolarHBondContact O-CG 3.45Å; R283-L287 PolarHBondContact O-N 2.87Å; R283-L287 VanDerWaalsContact O-N 3.14Å; K284-L287 PolarHBondContact O-N 2.8Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.36Å; L287-Q289 PolarHBondContact O-N 2.92Å; L287-S290 PolarHBondContact O-N 2.93Å; L287-S290 PolarHBondContact O-OG 3.23Å; L287-S290 VanDerWaalsContact O-OG 3.07Å
288L53Low66.7Low82 Ų8281 Ų8143%0.42941%0.408SS..THydrogen-bonded Turntrans-63.4-4.2-163.3-98.7163.4000117.4K284 Y291 L292K284-L288 HydrophobicContact CB-CD1 4.34Å; K284-L288 VanDerWaalsContact O-CB 3.25Å; K284-L288 WeakPolarHBondContact O-CB 3.32Å; K284-L288 VanDerWaalsContact O-CD1 3.23Å; K284-L288 WeakPolarHBondContact O-CD1 3.46Å; K284-L288 WeakPolarHBondContact O-CG 3.14Å; K284-L288 PolarHBondContact O-N 2.89Å; L288-Y291 PolarHBondContact O-N 3.21Å; L288-L292 PolarHBondContact O-N 2.91Å
289Q49.1Very low64.5Low81 Ų8183.6 Ų83.638%0.37943%0.428SS..Hα-helixtrans-72.9-25.6173.5-109.9174.7-9.300113.9L287 Y291L287-Q289 PolarHBondContact O-N 2.92Å; Q289-Y291 VanDerWaalsContact C-N 3.31Å
290S45.6Very low62.3Low84 Ų8488.3 Ų88.359%0.58744%0.441SS*.Hα-helixtrans-73.3-25173.342.40000112.3L287 Y294L287-S290 PolarHBondContact O-N 2.93Å; L287-S290 PolarHBondContact O-OG 3.23Å; L287-S290 VanDerWaalsContact O-OG 3.07Å; S290-Y294 WeakPolarHBondContact O-CB 3.33Å; S290-Y294 PolarHBondContact O-N 2.85Å
291Y41.3Very low59.9Low155 Ų15593.4 Ų93.461%0.60846%0.457SS*.Hα-helixtrans-84.8-35.7-176.9-141-90.4000113.5L288 Q289 Y294 M295L288-Y291 PolarHBondContact O-N 3.21Å; Q289-Y291 VanDerWaalsContact C-N 3.31Å; Y291-Y294 WeakPolarHBondContact O-CB 3.3Å; Y291-Y294 PolarHBondContact O-N 2.87Å; Y291-M295 HydrophobicContact CD1-CG 4.19Å; Y291-M295 HydrophobicContact CE1-CG 4.34Å; Y291-M295 HydrophobicContact CE1-SD 4.46Å; Y291-M295 WeakPolarHBondContact O-CG 3.43Å; Y291-M295 PolarHBondContact O-N 2.81Å
292L42.5Very low57.3Low116 Ų116100.5 Ų100.561%0.60750%0.498SS*.Hα-helixtrans-71.9-36.3177-85160.1000112.4L288 Y294 M295 S296L288-L292 PolarHBondContact O-N 2.91Å; L292-Y294 VanDerWaalsContact C-N 3.31Å; L292-M295 PolarHBondContact O-N 3.12Å; L292-S296 WeakPolarHBondContact O-CB 3.43Å; L292-S296 PolarHBondContact O-N 3.36Å; L292-S296 PolarHBondContact O-OG 3.48Å
293L44.6Very low55.3Low125 Ų125105.5 Ų105.565%0.65452%0.523SS*.Hα-helixtrans-62-40.2169.5-80.9163.4000111.5M295 S296 D297L293-M295 VanDerWaalsContact C-N 3.34Å; L293-M295 PolarHBondContact O-N 3.29Å; L293-S296 WeakPolarHBondContact CA-OG 3.49Å; L293-S296 PolarHBondContact O-N 3.02Å; L293-S296 PolarHBondContact O-OG 3.01Å; L293-D297 PolarHBondContact O-N 3.09Å
294Y45.2Very low53.2Low145 Ų145105.6 Ų105.657%0.56953%0.53SS*.Hα-helixtrans-66.1-31.6177.3-144.9-90.2000113.4S290 Y291 L292 Y300S290-Y294 WeakPolarHBondContact O-CB 3.33Å; S290-Y294 PolarHBondContact O-N 2.85Å; Y291-Y294 WeakPolarHBondContact O-CB 3.3Å; Y291-Y294 PolarHBondContact O-N 2.87Å; L292-Y294 VanDerWaalsContact C-N 3.31Å; Y294-Y300 HydrophobicContact CE1-CD1 4.47Å
295M42.2Very low51.2Low115 Ų115105.2 Ų105.257%0.56753%0.532SS*.Hα-helixtrans-90.3-16.5178.5-69-132.2-59.100114.4Y291 L292 L293Y291-M295 HydrophobicContact CD1-CG 4.19Å; Y291-M295 HydrophobicContact CE1-CG 4.34Å; Y291-M295 HydrophobicContact CE1-SD 4.46Å; Y291-M295 WeakPolarHBondContact O-CG 3.43Å; Y291-M295 PolarHBondContact O-N 2.81Å; L292-M295 PolarHBondContact O-N 3.12Å; L293-M295 VanDerWaalsContact C-N 3.34Å; L293-M295 PolarHBondContact O-N 3.29Å
296S44Very low49.4Very low83 Ų83109.5 Ų109.558%0.5855%0.552SS**Hα-helixtrans-85.3-11.8175.3580000113.7L292 L293 P298L292-S296 WeakPolarHBondContact O-CB 3.43Å; L292-S296 PolarHBondContact O-N 3.36Å; L292-S296 PolarHBondContact O-OG 3.48Å; L293-S296 WeakPolarHBondContact CA-OG 3.49Å; L293-S296 PolarHBondContact O-N 3.02Å; L293-S296 PolarHBondContact O-OG 3.01Å; S296-P298 WeakPolarHBondContact O-CD 3.36Å
297D47.2Very low48.1Very low66 Ų66116 Ų11635%0.35358%0.584SS.*  trans-81.9114.1173.9-169.7-13.9000110.7L293 S299 Y300L293-D297 PolarHBondContact O-N 3.09Å; D297-S299 PolarHBondContact O-N 3.49Å; D297-S299 WeakPolarHBondContact OD1-CB 3.44Å; D297-S299 PolarHBondContact OD1-N 3.07Å; D297-S299 PolarHBondContact OD1-OG 2.77Å; D297-S299 PolarHBondContact OD2-OG 2.73Å; D297-Y300 HydrophobicContact CB-CD2 3.91Å; D297-Y300 HydrophobicContact CB-CE2 4.31Å; D297-Y300 PolarHBondContact O-N 3.15Å; D297-Y300 WeakPolarHBondContact OD2-CE2 2.9Å
298P55Low46.9Very low104 Ų104119.4 Ų119.468%0.67560%0.6SS**G310 helixtrans-62.4-18.5178.7-18.231.3000113.8S296 Y300 R301S296-P298 WeakPolarHBondContact O-CD 3.36Å; P298-Y300 PolarHBondContact O-N 3.06Å; P298-R301 PolarHBondContact O-N 3.41Å
299S53.8Low46.5Very low70 Ų70122.1 Ų122.149%0.4961%0.613SS.*G310 helixtrans-71.4-11.9-176.268.80000114.6D297D297-S299 PolarHBondContact O-N 3.49Å; D297-S299 WeakPolarHBondContact OD1-CB 3.44Å; D297-S299 PolarHBondContact OD1-N 3.07Å; D297-S299 PolarHBondContact OD1-OG 2.77Å; D297-S299 PolarHBondContact OD2-OG 2.73Å
300Y51.3Low46.3Very low140 Ų140125.2 Ų125.255%0.54963%0.631SS.*G310 helixtrans-105.55.9-178.4-64.8-80.9000113.9Y294 D297 P298 N302Y294-Y300 HydrophobicContact CE1-CD1 4.47Å; D297-Y300 HydrophobicContact CB-CD2 3.91Å; D297-Y300 HydrophobicContact CB-CE2 4.31Å; D297-Y300 PolarHBondContact O-N 3.15Å; D297-Y300 WeakPolarHBondContact OD2-CE2 2.9Å; P298-Y300 PolarHBondContact O-N 3.06Å; Y300-N302 PolarHBondContact O-N 2.88Å
301R47.2Very low46.3Very low200 Ų200128.7 Ų128.776%0.75563%0.634SS**  trans-93.977167.9-64.2-175.3-173.3-172.72.6109.4P298P298-R301 PolarHBondContact O-N 3.41Å
302N42Very low46.8Very low225 Ų225126.3 Ų126.3100%1.20364%0.637SS**  trans-118.70163.8-79.1-35.3000109.3Y300Y300-N302 PolarHBondContact O-N 2.88Å

Retrieved 302 of 302 residues in 2123 ms (Link to these results)

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