A0A087YMX4_POEFO Loading...

Phosphoglucomutase 5

AlphaFold DB , UniProt , Accession A0A087YMX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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
1M40.9Very low81.8Confident233 Ų23391.8 Ų91.8100%1.14852%0.519SS*.  0125.20-87.5177-134.100106.2T3M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 2.97Å
2E42.5Very low83.2Confident204 Ų20494.9 Ų94.995%0.95353%0.526SS*.  trans-7087.2179.5-70.2174.915900109.6
3T60.6Low84.4Confident90 Ų9089.6 Ų89.655%0.55250%0.498SS*.  trans-114.497.3159.240.50000106.5M1 P5M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 2.97Å; T3-P5 WeakPolarHBondContact O-CD 3.4Å
4S79.8Confident85.3Confident114 Ų11487.8 Ų87.880%0.79750%0.5SS*.PPolyproline II helixtrans-55.9122.4166.2-65.70000107.2
5P91.4Very high86.1Confident67 Ų6785.9 Ų85.944%0.43549%0.492SS..PPolyproline II helixtrans-61.1142.7-178.725.6-33.5000109.4T3 P7 E183T3-P5 WeakPolarHBondContact O-CD 3.4Å; P5-P7 WeakPolarHBondContact O-CD 3.48Å; P5-E183 HydrophobicContact CB-CB 4.23Å; P5-E183 HydrophobicContact CG-CB 4.45Å; P5-E183 HydrophobicContact CG-CG 4.48Å
6I95.8Very high86.7Confident30 Ų3082.5 Ų82.515%0.15447%0.47CS..BIsolated β-bridgetrans-67.2124.3177.1-66.2160.9000108C165 L168 F180 D181 L182 E183I6-C165 HydrophobicContact CG2-CB 3.79Å; I6-L168 HydrophobicContact CD1-CB 4.32Å; I6-L168 HydrophobicContact CD1-CD1 4.48Å; I6-L168 HydrophobicContact CD1-CG 4.3Å; I6-L168 HydrophobicContact CG2-CB 4.32Å; I6-F180 HydrophobicContact CD1-CB 3.97Å; I6-F180 HydrophobicContact CD1-CD1 3.87Å; I6-F180 HydrophobicContact CD1-CG 4.36Å; I6-D181 PolarHBondContact N-O 2.67Å; I6-L182 HydrophobicContact CB-CD2 3.96Å; I6-L182 HydrophobicContact CD1-CD2 4.33Å; I6-L182 HydrophobicContact CG2-CD2 4.27Å; I6-E183 PolarHBondContact O-N 3.1Å
7P96.3Very high86.9Confident43 Ų4387.8 Ų87.828%0.27949%0.49SS..PPolyproline II helixtrans-70.4145.4-177.428.6-34.6000111.1P5 D167P5-P7 WeakPolarHBondContact O-CD 3.48Å; P7-D167 WeakPolarHBondContact CG-OD2 3.23Å
8V97.4Very high87.1Confident51 Ų5185.9 Ų85.931%0.30948%0.479SS..PPolyproline II helixtrans-98.2118.3170.2-178.70000108.1A84 A163V8-A84 HydrophobicContact CG1-CB 3.85Å; V8-A163 HydrophobicContact CG1-CB 4.43Å
9V97.9Very high87.4Confident58 Ų5881.4 Ų81.435%0.35245%0.454SS..EExtended strand (participates in β ladder)trans-106.6132.5-178.5-178.60000109.9V11 A163 I164 P166V9-V11 HydrophobicContact CG1-CG2 4.04Å; V9-A163 WeakPolarHBondContact O-CA 3.44Å; V9-I164 PolarHBondContact N-O 2.93Å; V9-I164 PolarHBondContact O-N 3.48Å; V9-P166 HydrophobicContact CB-CG 4.46Å; V9-P166 HydrophobicContact CG2-CG 3.89Å
10T98.4Very high87.4Confident79 Ų7983.7 Ų83.749%0.48546%0.455SS..EExtended strand (participates in β ladder)trans-93.1126.3167.6-58.10000109.4E161 Y162T10-E161 HydrophobicContact CG2-CB 3.88Å; T10-E161 HydrophobicContact CG2-CG 4.09Å; T10-E161 WeakPolarHBondContact CG2-OE2 3.41Å; T10-Y162 WeakPolarHBondContact CA-O 3.45Å
11V98.6Very high87.2Confident41 Ų4180.3 Ų80.325%0.24844%0.437CS..EExtended strand (participates in β ladder)trans-115.2123.4-178.7-177.20000109.4V9 E161 Y162 I164V9-V11 HydrophobicContact CG1-CG2 4.04Å; V11-E161 CarbonylContact O-C 3.55Å; V11-E161 VanDerWaalsContact O-CA 3.24Å; V11-E161 WeakPolarHBondContact O-CA 3.44Å; V11-Y162 HydrophobicContact CB-CD1 4.35Å; V11-Y162 HydrophobicContact CB-CD2 4.17Å; V11-Y162 HydrophobicContact CB-CE1 3.9Å; V11-Y162 HydrophobicContact CB-CE2 3.69Å; V11-Y162 HydrophobicContact CB-CG 4.49Å; V11-Y162 HydrophobicContact CG1-CE1 3.85Å; V11-Y162 HydrophobicContact CG1-CE2 4.26Å; V11-Y162 WeakPolarHBondContact CG1-OH 3.49Å; V11-Y162 HydrophobicContact CG2-CE2 3.86Å; V11-Y162 PolarHBondContact N-O 2.98Å; V11-Y162 PolarHBondContact O-N 3.07Å; V11-I164 HydrophobicContact CG2-CG2 4.02Å
12Q98.6Very high89.1Confident129 Ų12970.6 Ų70.660%0.60340%0.397SS*.EExtended strand (participates in β ladder)trans-68.2139.5172.7-62-62.2-51.600110.5E161Q12-E161 PolarHBondContact NE2-OE2 2.84Å
13T98.6Very high90.6Very high26 Ų2663.8 Ų63.816%0.1637%0.37CS..  trans-145.2170.8-176.4-161.20000111.2N38 N42 L159 E160 Y162T13-N38 WeakPolarHBondContact OG1-CB 3.44Å; T13-N38 PolarHBondContact OG1-ND2 2.84Å; T13-N42 WeakPolarHBondContact CB-OD1 3.46Å; T13-N42 WeakPolarHBondContact CG2-OD1 3.39Å; T13-N42 PolarHBondContact OG1-ND2 2.89Å; T13-N42 PolarHBondContact OG1-OD1 2.9Å; T13-L159 HydrophobicContact CG2-CD2 4.07Å; T13-L159 HydrophobicContact CG2-CG 4.19Å; T13-E160 PolarHBondContact N-O 2.8Å; T13-E160 VanDerWaalsContact O-O 3.09Å; T13-Y162 HydrophobicContact CG2-CD1 4.08Å
14A97.4Very high91.5Very high64 Ų6461.4 Ų61.453%0.52935%0.354SS..  trans-116.5144.217200000109.4N42A14-N42 PolarHBondContact O-ND2 2.83Å
15P97.4Very high91.9Very high59 Ų5956.6 Ų56.638%0.38332%0.322SS..  trans-70.5162.3-178.128.3-34.4000112.8S156 R157 L159P15-S156 VanDerWaalsContact CB-O 3.26Å; P15-S156 WeakPolarHBondContact CB-O 3.47Å; P15-R157 WeakPolarHBondContact CB-O 3.46Å; P15-R157 WeakPolarHBondContact CG-O 3.42Å; P15-L159 WeakPolarHBondContact CD-O 3.35Å
16F95.3Very high92Very high32 Ų3253.4 Ų53.414%0.1430%0.301CS..  trans-120.3132.8174.5-65.2-69.1000110.7D18 Q19 K36 K37 Y39 N42 S156F16-D18 VanDerWaalsContact C-N 3.3Å; F16-D18 PolarHBondContact O-N 2.71Å; F16-Q19 HydrophobicContact CB-CG 3.83Å; F16-K36 HydrophobicContact CD1-CD 4.38Å; F16-K36 HydrophobicContact CE1-CD 3.89Å; F16-K36 HydrophobicContact CE1-CG 4.2Å; F16-K36 HydrophobicContact CZ-CD 4.33Å; F16-K36 HydrophobicContact CZ-CG 4.3Å; F16-K37 WeakPolarHBondContact CZ-O 3.28Å; F16-Y39 HydrophobicContact CB-CD2 4.42Å; F16-Y39 HydrophobicContact CB-CE2 4.25Å; F16-Y39 HydrophobicContact CD1-CD2 4.09Å; F16-Y39 HydrophobicContact CD1-CE2 4.46Å; F16-Y39 AromaticContact CD2-CD2 3.67Å; F16-Y39 HydrophobicContact CD2-CD2 3.67Å; F16-Y39 HydrophobicContact CD2-CE2 4.32Å; F16-Y39 HydrophobicContact CE1-CD2 4.28Å; F16-Y39 AromaticContact CE2-CD2 3.88Å; F16-Y39 HydrophobicContact CE2-CD2 3.88Å; F16-Y39 HydrophobicContact CE2-CG 4.44Å; F16-Y39 AromaticContact CG-CD2 3.78Å; F16-Y39 HydrophobicContact CG-CD2 3.78Å; F16-Y39 HydrophobicContact CG-CE2 4.07Å; F16-Y39 HydrophobicContact CZ-CD2 4.16Å; F16-N42 HydrophobicContact CD2-CB 4.17Å; F16-N42 HydrophobicContact CE2-CB 4.33Å; F16-S156 PolarHBondContact N-O 2.74Å
17E91Very high91.8Very high173 Ų17352.6 Ų52.681%0.80830%0.296SS*.THydrogen-bonded Turntrans-72.9-25.1-178.3-61.7-171.7165.400113.2
18D89.4Confident91.7Very high54 Ų5453.6 Ų53.629%0.28929%0.294SS..THydrogen-bonded Turntrans-95.910.8-170.274.9-59.3000114F16 R20 R28 K36 Y39F16-D18 VanDerWaalsContact C-N 3.3Å; F16-D18 PolarHBondContact O-N 2.71Å; D18-R20 VanDerWaalsContact C-N 3.26Å; D18-R20 PolarHBondContact O-N 3.32Å; D18-R28 PolarHBondContact O-NH2 3.49Å; D18-R28 IonicContact OD2-NE 3.9Å; D18-R28 PolarHBondContact OD2-NE 2.84Å; D18-K36 IonicContact OD1-NZ 2.73Å; D18-Y39 PolarHBondContact OD2-OH 2.82Å
19Q92.7Very high91.6Very high0 Ų055.5 Ų55.50%030%0.299CS..  trans-88.835.3-178.1-75.5-170.6-17.400114.4F16 P21 L26 Y39 Y43F16-Q19 HydrophobicContact CB-CG 3.83Å; Q19-P21 WeakPolarHBondContact O-CD 3.04Å; Q19-L26 HydrophobicContact CG-CD2 4.27Å; Q19-Y39 HydrophobicContact CG-CD2 4.41Å; Q19-Y39 HydrophobicContact CG-CE2 3.75Å; Q19-Y39 VanDerWaalsContact NE2-CD2 3.31Å; Q19-Y39 PolarHBondContact NE2-O 3.29Å; Q19-Y43 HydrophobicContact CB-CD2 4.07Å; Q19-Y43 HydrophobicContact CG-CD2 4.43Å
20R88.1Confident91.5Very high126 Ų12652.8 Ų52.848%0.47528%0.282SS..  trans-85.8119.5174.2-171174.2-172.71777.3110.5D18 E150D18-R20 VanDerWaalsContact C-N 3.26Å; D18-R20 PolarHBondContact O-N 3.32Å; R20-E150 IonicContact CZ-OE2 2.82Å; R20-E150 IonicContact NH2-OE2 2.78Å; R20-E150 PolarHBondContact NH2-OE2 2.75Å
21P84Confident91.4Very high13 Ų1351.9 Ų51.98%0.08428%0.282CS..  trans-65142.2173.722.4-28.3000111.5Q19 Y43 M149 I152Q19-P21 WeakPolarHBondContact O-CD 3.04Å; P21-Y43 WeakPolarHBondContact CB-OH 3.25Å; P21-M149 HydrophobicContact CG-CB 3.98Å; P21-M149 HydrophobicContact CG-CG 4.18Å; P21-I152 HydrophobicContact CG-CG2 4.48Å
22G79.2Confident91.4Very high30 Ų3051.8 Ų51.831%0.30928%0.282SS..BIsolated β-bridgetrans-87.9-172.3167.100000111.8N24 G25G22-N24 PolarHBondContact O-N 2.96Å; G22-G25 PolarHBondContact N-O 2.86Å; G22-G25 PolarHBondContact O-N 2.82Å; G22-G25 VanDerWaalsContact O-N 3.15Å
23T74.3Confident91.3Very high60 Ų6046 Ų4637%0.36825%0.254SS..THydrogen-bonded Turntrans-51.8-32.6-179.4-47.80000113.6
24N80.1Confident91.2Very high41 Ų4149 Ų4922%0.21927%0.267CS..THydrogen-bonded Turntrans-123.744-177.8-64.5-36.4000111.7G22 R27 K134G22-N24 PolarHBondContact O-N 2.96Å; N24-R27 PolarHBondContact O-NE 2.9Å; N24-K134 WeakPolarHBondContact O-CG 3.37Å
25G88.2Confident91.2Very high12 Ų1249 Ų4912%0.12427%0.273CS..BIsolated β-bridgetrans91.7-178.9176.200000115.1G22 I133G22-G25 PolarHBondContact N-O 2.86Å; G22-G25 PolarHBondContact O-N 2.82Å; G22-G25 VanDerWaalsContact O-N 3.15Å; G25-I133 VanDerWaalsContact CA-O 3.31Å; G25-I133 WeakPolarHBondContact CA-O 3.29Å
26L92.5Very high91.2Very high1 Ų150.1 Ų50.11%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-85.2119.7172.6178.168.1000108.9Q19 F33 Y39 Y43 G132 I133Q19-L26 HydrophobicContact CG-CD2 4.27Å; L26-F33 HydrophobicContact CD2-CE1 4.2Å; L26-F33 HydrophobicContact CD2-CZ 4.21Å; L26-F33 HydrophobicContact CG-CZ 4.28Å; L26-Y39 HydrophobicContact CD2-CE1 4.34Å; L26-Y43 HydrophobicContact CB-CE1 3.86Å; L26-Y43 HydrophobicContact CB-CE2 3.91Å; L26-Y43 VanDerWaalsContact CB-CZ 3.48Å; L26-Y43 WeakPolarHBondContact CB-OH 3.45Å; L26-Y43 HydrophobicContact CD2-CD1 3.94Å; L26-Y43 HydrophobicContact CD2-CD2 3.51Å; L26-Y43 HydrophobicContact CD2-CE1 4.06Å; L26-Y43 HydrophobicContact CD2-CE2 3.63Å; L26-Y43 HydrophobicContact CD2-CG 3.65Å; L26-Y43 HydrophobicContact CG-CE2 4.32Å; L26-G132 CarbonylContact O-C 3.41Å; L26-G132 WeakPolarHBondContact O-CA 3.18Å; L26-I133 PolarHBondContact N-O 3.34Å; L26-I133 PolarHBondContact O-N 2.92Å
27R92.7Very high91.3Very high12 Ų1256.8 Ų56.85%0.04530%0.301CS..EExtended strand (participates in β ladder)trans-121.1129.8179-61.4179.9-174.1-158.7-5.6110.7N24 A120 N123 F131N24-R27 PolarHBondContact O-NE 2.9Å; R27-A120 HydrophobicContact CG-CB 4.33Å; R27-A120 PolarHBondContact NH1-O 3.14Å; R27-N123 PolarHBondContact NH1-OD1 3.16Å; R27-F131 WeakPolarHBondContact CA-O 3.37Å
28R93.6Very high91.6Very high64 Ų6449.6 Ų49.624%0.24227%0.268CS..EExtended strand (participates in β ladder)trans-145.5170176-62.3-69.7177.4-101.75.3109.1D18 V32 F33 Y39 D130 F131D18-R28 PolarHBondContact O-NH2 3.49Å; D18-R28 IonicContact OD2-NE 3.9Å; D18-R28 PolarHBondContact OD2-NE 2.84Å; R28-V32 HydrophobicContact CB-CB 4.09Å; R28-V32 HydrophobicContact CB-CG1 4.35Å; R28-V32 HydrophobicContact CB-CG2 4.35Å; R28-F33 HydrophobicContact CB-CD2 4.2Å; R28-F33 HydrophobicContact CB-CE2 3.62Å; R28-F33 HydrophobicContact CB-CZ 4.25Å; R28-F33 HydrophobicContact CG-CE2 4.25Å; R28-F33 HydrophobicContact CG-CZ 4.39Å; R28-Y39 HydrophobicContact CG-CE1 4.31Å; R28-Y39 WeakPolarHBondContact CG-OH 3.46Å; R28-Y39 PolarHBondContact NE-OH 2.87Å; R28-D130 WeakPolarHBondContact O-CA 3.38Å; R28-F131 PolarHBondContact N-O 3.06Å; R28-F131 PolarHBondContact O-N 3.44Å
29K95.1Very high92.1Very high92 Ų9247 Ų4740%0.425%0.254SS..EExtended strand (participates in β ladder)trans-55.8141.4166.7-67.9-71.3167.1-155.10110.4A31 V32 G129 D130K29-A31 PolarHBondContact O-N 2.95Å; K29-V32 HydrophobicContact CB-CG2 4.22Å; K29-V32 WeakPolarHBondContact O-CB 3.41Å; K29-V32 PolarHBondContact O-N 3.15Å; K29-G129 WeakPolarHBondContact CA-O 3.49Å; K29-G129 WeakPolarHBondContact CD-O 3.27Å; K29-D130 VanDerWaalsContact CD-OD1 3.3Å; K29-D130 WeakPolarHBondContact CD-OD1 3.33Å; K29-D130 VanDerWaalsContact CE-OD1 3.25Å; K29-D130 WeakPolarHBondContact CE-OD1 3.4Å; K29-D130 IonicContact NZ-OD1 2.87Å; K29-D130 PolarHBondContact NZ-OD1 3.39Å; K29-D130 IonicContact NZ-OD2 2.95Å
30T96.8Very high92.4Very high1 Ų147.2 Ų47.21%0.00626%0.255CS..Hα-helixtrans-55.5-40.9-179.5-51.60000111.6V32 F33 E34 Y69 F70 G126 G129 F131T30-V32 PolarHBondContact O-N 3.13Å; T30-F33 PolarHBondContact O-N 2.89Å; T30-E34 WeakPolarHBondContact O-CB 3.44Å; T30-E34 PolarHBondContact O-N 2.9Å; T30-Y69 HydrophobicContact CG2-CD1 3.65Å; T30-Y69 HydrophobicContact CG2-CE1 4.06Å; T30-F70 HydrophobicContact CG2-CB 3.75Å; T30-F70 HydrophobicContact CG2-CG 4.34Å; T30-G126 PolarHBondContact OG1-O 3.05Å; T30-G129 PolarHBondContact N-O 2.65Å; T30-G129 PolarHBondContact OG1-O 3.36Å; T30-F131 HydrophobicContact CG2-CB 4.31Å
31A96.8Very high92.9Very high59 Ų5943.1 Ų43.149%0.48824%0.242SC..Hα-helixtrans-55.9-24175.900000114.6K29 G35K29-A31 PolarHBondContact O-N 2.95Å; A31-G35 WeakPolarHBondContact O-CA 3.17Å; A31-G35 PolarHBondContact O-N 2.87Å
32V96.9Very high93.6Very high40 Ų4042.5 Ų42.524%0.24224%0.238CC..Hα-helixtrans-72.4-46.2174.7178.90000110.4R28 K29 T30 K36 Y39R28-V32 HydrophobicContact CB-CB 4.09Å; R28-V32 HydrophobicContact CB-CG1 4.35Å; R28-V32 HydrophobicContact CB-CG2 4.35Å; K29-V32 HydrophobicContact CB-CG2 4.22Å; K29-V32 WeakPolarHBondContact O-CB 3.41Å; K29-V32 PolarHBondContact O-N 3.15Å; T30-V32 PolarHBondContact O-N 3.13Å; V32-K36 HydrophobicContact CG1-CD 4.27Å; V32-K36 WeakPolarHBondContact O-CB 3.44Å; V32-K36 PolarHBondContact O-N 2.86Å; V32-K36 VanDerWaalsContact O-N 3.16Å; V32-Y39 HydrophobicContact CG1-CD1 3.85Å; V32-Y39 HydrophobicContact CG1-CD2 4.26Å; V32-Y39 HydrophobicContact CG1-CE1 3.65Å; V32-Y39 HydrophobicContact CG1-CE2 4.04Å; V32-Y39 HydrophobicContact CG1-CG 4.13Å
33F97.6Very high94.5Very high6 Ų641.2 Ų41.23%0.02622%0.223CC..Hα-helixtrans-69.6-38.5178.3-68.2-82.2000112.2L26 R28 T30 Y39 L40 F70 F131 I133L26-F33 HydrophobicContact CD2-CE1 4.2Å; L26-F33 HydrophobicContact CD2-CZ 4.21Å; L26-F33 HydrophobicContact CG-CZ 4.28Å; R28-F33 HydrophobicContact CB-CD2 4.2Å; R28-F33 HydrophobicContact CB-CE2 3.62Å; R28-F33 HydrophobicContact CB-CZ 4.25Å; R28-F33 HydrophobicContact CG-CE2 4.25Å; R28-F33 HydrophobicContact CG-CZ 4.39Å; T30-F33 PolarHBondContact O-N 2.89Å; F33-Y39 AromaticContact CD1-CD1 3.72Å; F33-Y39 HydrophobicContact CD1-CD1 3.72Å; F33-Y39 AromaticContact CD1-CE1 3.96Å; F33-Y39 HydrophobicContact CD1-CE1 3.96Å; F33-Y39 HydrophobicContact CE1-CD1 4Å; F33-Y39 AromaticContact CE1-CE1 3.78Å; F33-Y39 HydrophobicContact CE1-CE1 3.78Å; F33-Y39 HydrophobicContact CG-CD1 4.28Å; F33-Y39 HydrophobicContact CZ-CE1 4.22Å; F33-L40 HydrophobicContact CD1-CD1 4.42Å; F33-F70 HydrophobicContact CB-CD1 4.13Å; F33-F70 HydrophobicContact CB-CE1 3.59Å; F33-F70 HydrophobicContact CB-CZ 4.18Å; F33-F131 HydrophobicContact CD1-CD1 4.46Å; F33-F131 HydrophobicContact CD2-CB 3.74Å; F33-F131 AromaticContact CD2-CD1 3.82Å; F33-F131 HydrophobicContact CD2-CD1 3.82Å; F33-F131 HydrophobicContact CD2-CG 4.23Å; F33-F131 HydrophobicContact CE2-CB 4.01Å; F33-F131 HydrophobicContact CE2-CD1 4.02Å; F33-F131 WeakPolarHBondContact CE2-O 3.35Å; F33-F131 HydrophobicContact CG-CD1 4.03Å; F33-F131 HydrophobicContact CZ-CD1 4.45Å; F33-I133 HydrophobicContact CD1-CD1 4.17Å; F33-I133 HydrophobicContact CE1-CD1 3.65Å; F33-I133 HydrophobicContact CE1-CG1 4.21Å; F33-I133 HydrophobicContact CZ-CD1 4.36Å; F33-I133 HydrophobicContact CZ-CG1 4.44Å
34E97.3Very high95.6Very high90 Ų9038.3 Ų38.342%0.42121%0.206SC..Hα-helixtrans-78.8-44.4-177.3-175.7177.3-141.500112.4T30 Y69 F70T30-E34 WeakPolarHBondContact O-CB 3.44Å; T30-E34 PolarHBondContact O-N 2.9Å; E34-Y69 WeakPolarHBondContact OE1-CE1 3.43Å; E34-Y69 PolarHBondContact OE1-OH 2.96Å; E34-F70 HydrophobicContact CB-CD2 4.08Å; E34-F70 HydrophobicContact CB-CE2 3.98Å; E34-F70 HydrophobicContact CG-CD2 4.24Å; E34-F70 HydrophobicContact CG-CE2 4.21Å
35G95.8Very high96.5Very high64 Ų6436.9 Ų36.966%0.6620%0.197SC*.Hα-helixtrans-94.3-26.8-171.100000115.2A31 K37A31-G35 WeakPolarHBondContact O-CA 3.17Å; A31-G35 PolarHBondContact O-N 2.87Å; G35-K37 PolarHBondContact O-N 2.61Å
36K97.2Very high97Very high83 Ų8336.3 Ų36.336%0.36119%0.192SC..SBendtrans-86.3109.3-177.5-160.4179.6-173.1-161.90109.4F16 D18 V32 N38 Y39F16-K36 HydrophobicContact CD1-CD 4.38Å; F16-K36 HydrophobicContact CE1-CD 3.89Å; F16-K36 HydrophobicContact CE1-CG 4.2Å; F16-K36 HydrophobicContact CZ-CD 4.33Å; F16-K36 HydrophobicContact CZ-CG 4.3Å; D18-K36 IonicContact OD1-NZ 2.73Å; V32-K36 HydrophobicContact CG1-CD 4.27Å; V32-K36 WeakPolarHBondContact O-CB 3.44Å; V32-K36 PolarHBondContact O-N 2.86Å; V32-K36 VanDerWaalsContact O-N 3.16Å; K36-N38 PolarHBondContact O-N 2.78Å; K36-Y39 HydrophobicContact CB-CG 4.44Å; K36-Y39 HydrophobicContact CD-CD2 3.67Å; K36-Y39 HydrophobicContact CD-CE2 4.24Å; K36-Y39 HydrophobicContact CD-CG 4.23Å; K36-Y39 HydrophobicContact CG-CD2 4.48Å; K36-Y39 VanDerWaalsContact O-CB 3.22Å; K36-Y39 WeakPolarHBondContact O-CB 3.44Å; K36-Y39 PolarHBondContact O-N 3.27Å
37K98Very high97.1Very high172 Ų17236.2 Ų36.275%0.74819%0.191SC*.THydrogen-bonded Turntrans-47.3132.3-178.7-175.3178.4179.4-177.90111.5F16 G35 Y39F16-K37 WeakPolarHBondContact CZ-O 3.28Å; G35-K37 PolarHBondContact O-N 2.61Å; K37-Y39 PolarHBondContact O-N 2.8Å; K37-Y39 VanDerWaalsContact O-N 3.07Å
38N98.3Very high97.4Very high22 Ų2235.7 Ų35.712%0.11819%0.189CC..THydrogen-bonded Turntrans60.45.5179.6-60.2-17.1000115.9T13 K36 Q41 N42 Y162T13-N38 WeakPolarHBondContact OG1-CB 3.44Å; T13-N38 PolarHBondContact OG1-ND2 2.84Å; K36-N38 PolarHBondContact O-N 2.78Å; N38-Q41 VanDerWaalsContact CA-OE1 3.28Å; N38-Q41 PolarHBondContact O-N 3.41Å; N38-N42 VanDerWaalsContact O-CB 3.3Å; N38-N42 WeakPolarHBondContact O-CB 3.31Å; N38-N42 VanDerWaalsContact O-CG 3.27Å; N38-N42 PolarHBondContact O-N 3.03Å; N38-N42 PolarHBondContact O-OD1 2.66Å; N38-N42 VanDerWaalsContact O-OD1 3.11Å; N38-Y162 HydrophobicContact CB-CE1 4.15Å; N38-Y162 PolarHBondContact OD1-OH 2.94Å
39Y98.5Very high97.5Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-63.8-48.9-176.5-169.7-95.3000112F16 D18 Q19 L26 R28 V32 F33 K36 K37 Y43F16-Y39 HydrophobicContact CB-CD2 4.42Å; F16-Y39 HydrophobicContact CB-CE2 4.25Å; F16-Y39 HydrophobicContact CD1-CD2 4.09Å; F16-Y39 HydrophobicContact CD1-CE2 4.46Å; F16-Y39 AromaticContact CD2-CD2 3.67Å; F16-Y39 HydrophobicContact CD2-CD2 3.67Å; F16-Y39 HydrophobicContact CD2-CE2 4.32Å; F16-Y39 HydrophobicContact CE1-CD2 4.28Å; F16-Y39 AromaticContact CE2-CD2 3.88Å; F16-Y39 HydrophobicContact CE2-CD2 3.88Å; F16-Y39 HydrophobicContact CE2-CG 4.44Å; F16-Y39 AromaticContact CG-CD2 3.78Å; F16-Y39 HydrophobicContact CG-CD2 3.78Å; F16-Y39 HydrophobicContact CG-CE2 4.07Å; F16-Y39 HydrophobicContact CZ-CD2 4.16Å; D18-Y39 PolarHBondContact OD2-OH 2.82Å; Q19-Y39 HydrophobicContact CG-CD2 4.41Å; Q19-Y39 HydrophobicContact CG-CE2 3.75Å; Q19-Y39 VanDerWaalsContact NE2-CD2 3.31Å; Q19-Y39 PolarHBondContact NE2-O 3.29Å; L26-Y39 HydrophobicContact CD2-CE1 4.34Å; R28-Y39 HydrophobicContact CG-CE1 4.31Å; R28-Y39 WeakPolarHBondContact CG-OH 3.46Å; R28-Y39 PolarHBondContact NE-OH 2.87Å; V32-Y39 HydrophobicContact CG1-CD1 3.85Å; V32-Y39 HydrophobicContact CG1-CD2 4.26Å; V32-Y39 HydrophobicContact CG1-CE1 3.65Å; V32-Y39 HydrophobicContact CG1-CE2 4.04Å; V32-Y39 HydrophobicContact CG1-CG 4.13Å; F33-Y39 AromaticContact CD1-CD1 3.72Å; F33-Y39 HydrophobicContact CD1-CD1 3.72Å; F33-Y39 AromaticContact CD1-CE1 3.96Å; F33-Y39 HydrophobicContact CD1-CE1 3.96Å; F33-Y39 HydrophobicContact CE1-CD1 4Å; F33-Y39 AromaticContact CE1-CE1 3.78Å; F33-Y39 HydrophobicContact CE1-CE1 3.78Å; F33-Y39 HydrophobicContact CG-CD1 4.28Å; F33-Y39 HydrophobicContact CZ-CE1 4.22Å; K36-Y39 HydrophobicContact CB-CG 4.44Å; K36-Y39 HydrophobicContact CD-CD2 3.67Å; K36-Y39 HydrophobicContact CD-CE2 4.24Å; K36-Y39 HydrophobicContact CD-CG 4.23Å; K36-Y39 HydrophobicContact CG-CD2 4.48Å; K36-Y39 VanDerWaalsContact O-CB 3.22Å; K36-Y39 WeakPolarHBondContact O-CB 3.44Å; K36-Y39 PolarHBondContact O-N 3.27Å; K37-Y39 PolarHBondContact O-N 2.8Å; K37-Y39 VanDerWaalsContact O-N 3.07Å; Y39-Y43 PolarHBondContact O-N 3.35Å
40L98.6Very high97.4Very high3 Ų330.2 Ų30.22%0.01617%0.172CC..Hα-helixtrans-59.7-51.2174.2174.164.3000111.1F33 N42 Y43 I44 F70 A74 V77 I133F33-L40 HydrophobicContact CD1-CD1 4.42Å; L40-N42 PolarHBondContact O-N 2.79Å; L40-Y43 PolarHBondContact O-N 3.38Å; L40-I44 HydrophobicContact CD1-CD1 4.24Å; L40-I44 HydrophobicContact CD1-CG1 3.83Å; L40-I44 HydrophobicContact CG-CG1 4.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 2.87Å; L40-F70 HydrophobicContact CD2-CE1 3.95Å; L40-F70 HydrophobicContact CD2-CZ 3.85Å; L40-A74 HydrophobicContact CD1-CB 4.42Å; L40-A74 HydrophobicContact CD2-CB 4.06Å; L40-V77 HydrophobicContact CD2-CB 3.87Å; L40-V77 HydrophobicContact CD2-CG1 3.93Å; L40-V77 HydrophobicContact CD2-CG2 3.98Å; L40-V77 HydrophobicContact CG-CG1 4.22Å; L40-I133 HydrophobicContact CD1-CD1 3.51Å
41Q98.8Very high97.3Very high41 Ų4130.8 Ų30.819%0.19218%0.175CC..Hα-helixtrans-59.5-46.1-175.3-67.581.8-9.800111.6N38 Y43 I44 Q45 V77 M81 Y162N38-Q41 VanDerWaalsContact CA-OE1 3.28Å; N38-Q41 PolarHBondContact O-N 3.41Å; Q41-Y43 VanDerWaalsContact C-N 3.32Å; Q41-Y43 PolarHBondContact O-N 2.97Å; Q41-I44 PolarHBondContact O-N 3.04Å; Q41-Q45 WeakPolarHBondContact O-CB 3.32Å; Q41-Q45 PolarHBondContact O-N 3.01Å; Q41-V77 HydrophobicContact CG-CG1 4.01Å; Q41-M81 HydrophobicContact CB-CE 4.2Å; Q41-M81 HydrophobicContact CB-SD 3.9Å; Q41-M81 HydrophobicContact CG-SD 4.01Å; Q41-M81 VanDerWaalsContact O-CE 3.23Å; Q41-M81 WeakPolarHBondContact O-CE 3.44Å; Q41-Y162 HydrophobicContact CB-CD1 4.09Å; Q41-Y162 HydrophobicContact CB-CD2 4.16Å; Q41-Y162 HydrophobicContact CB-CE1 3.79Å; Q41-Y162 HydrophobicContact CB-CE2 3.87Å; Q41-Y162 HydrophobicContact CB-CG 4.26Å; Q41-Y162 HydrophobicContact CG-CE1 4.43Å; Q41-Y162 HydrophobicContact CG-CE2 3.9Å
42N98.8Very high97.1Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-56.6-48.2177.1-79.526.8000111.2T13 A14 F16 N38 L40 Q45 S46 L159T13-N42 WeakPolarHBondContact CB-OD1 3.46Å; T13-N42 WeakPolarHBondContact CG2-OD1 3.39Å; T13-N42 PolarHBondContact OG1-ND2 2.89Å; T13-N42 PolarHBondContact OG1-OD1 2.9Å; A14-N42 PolarHBondContact O-ND2 2.83Å; F16-N42 HydrophobicContact CD2-CB 4.17Å; F16-N42 HydrophobicContact CE2-CB 4.33Å; N38-N42 VanDerWaalsContact O-CB 3.3Å; N38-N42 WeakPolarHBondContact O-CB 3.31Å; N38-N42 VanDerWaalsContact O-CG 3.27Å; N38-N42 PolarHBondContact O-N 3.03Å; N38-N42 PolarHBondContact O-OD1 2.66Å; N38-N42 VanDerWaalsContact O-OD1 3.11Å; L40-N42 PolarHBondContact O-N 2.79Å; N42-Q45 PolarHBondContact O-N 3Å; N42-S46 PolarHBondContact O-N 3.31Å; N42-S46 PolarHBondContact O-OG 3.29Å; N42-L159 HydrophobicContact CB-CD2 3.83Å
43Y98.4Very high96.9Very high2 Ų235.2 Ų35.21%0.00819%0.189CC..Hα-helixtrans-67.5-41.3-177.4-171.9-107.4000112.4Q19 P21 L26 Y39 L40 Q41 Q45 S46 L47 I133 I152Q19-Y43 HydrophobicContact CB-CD2 4.07Å; Q19-Y43 HydrophobicContact CG-CD2 4.43Å; P21-Y43 WeakPolarHBondContact CB-OH 3.25Å; L26-Y43 HydrophobicContact CB-CE1 3.86Å; L26-Y43 HydrophobicContact CB-CE2 3.91Å; L26-Y43 VanDerWaalsContact CB-CZ 3.48Å; L26-Y43 WeakPolarHBondContact CB-OH 3.45Å; L26-Y43 HydrophobicContact CD2-CD1 3.94Å; L26-Y43 HydrophobicContact CD2-CD2 3.51Å; L26-Y43 HydrophobicContact CD2-CE1 4.06Å; L26-Y43 HydrophobicContact CD2-CE2 3.63Å; L26-Y43 HydrophobicContact CD2-CG 3.65Å; L26-Y43 HydrophobicContact CG-CE2 4.32Å; Y39-Y43 PolarHBondContact O-N 3.35Å; L40-Y43 PolarHBondContact O-N 3.38Å; Q41-Y43 VanDerWaalsContact C-N 3.32Å; Q41-Y43 PolarHBondContact O-N 2.97Å; Y43-Q45 VanDerWaalsContact C-N 3.35Å; Y43-S46 PolarHBondContact O-N 2.96Å; Y43-L47 WeakPolarHBondContact O-CB 3.28Å; Y43-L47 PolarHBondContact O-N 2.85Å; Y43-I133 HydrophobicContact CD1-CB 4.2Å; Y43-I133 HydrophobicContact CD1-CD1 3.84Å; Y43-I133 HydrophobicContact CD1-CG2 4.17Å; Y43-I133 HydrophobicContact CE1-CB 3.81Å; Y43-I133 HydrophobicContact CE1-CD1 4.35Å; Y43-I133 HydrophobicContact CE1-CG2 3.79Å; Y43-I152 HydrophobicContact CD2-CG2 4.33Å; Y43-I152 HydrophobicContact CE2-CG2 3.69Å
44I98.6Very high96.8Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-62.3-43.8174.5-64.4-52.7000110.5L40 Q41 S46 L47 L48 I78 M81 I133L40-I44 HydrophobicContact CD1-CD1 4.24Å; L40-I44 HydrophobicContact CD1-CG1 3.83Å; L40-I44 HydrophobicContact CG-CG1 4.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 2.87Å; Q41-I44 PolarHBondContact O-N 3.04Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 2.96Å; I44-L47 WeakPolarHBondContact O-CB 3.41Å; I44-L47 PolarHBondContact O-N 3.45Å; I44-L48 HydrophobicContact CG2-CD1 4.01Å; I44-L48 HydrophobicContact CG2-CG 4.32Å; I44-L48 VanDerWaalsContact O-CG 3.27Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 3.09Å; I44-I78 HydrophobicContact CD1-CD1 4Å; I44-I78 HydrophobicContact CD1-CG1 3.67Å; I44-I78 HydrophobicContact CG1-CG1 3.96Å; I44-I78 HydrophobicContact CG2-CG1 4.25Å; I44-M81 HydrophobicContact CB-CE 4.49Å; I44-M81 HydrophobicContact CB-SD 3.94Å; I44-M81 HydrophobicContact CG2-CB 4.04Å; I44-M81 HydrophobicContact CG2-CE 4.44Å; I44-M81 HydrophobicContact CG2-SD 3.86Å; I44-I133 HydrophobicContact CD1-CD1 4.14Å; I44-I133 HydrophobicContact CD1-CG2 4.26Å
45Q98.7Very high96.6Very high10 Ų1046.1 Ų46.15%0.04723%0.233CC..Hα-helixtrans-60.6-43.2175.2-174.959.466.800111.6Q41 N42 Y43 L47 L48 S49 M81 N85 L159 A163Q41-Q45 WeakPolarHBondContact O-CB 3.32Å; Q41-Q45 PolarHBondContact O-N 3.01Å; N42-Q45 PolarHBondContact O-N 3Å; Y43-Q45 VanDerWaalsContact C-N 3.35Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.49Å; Q45-L48 PolarHBondContact O-N 3.16Å; Q45-S49 PolarHBondContact NE2-OG 3.5Å; Q45-S49 VanDerWaalsContact NE2-OG 3.08Å; Q45-S49 WeakPolarHBondContact O-CB 3.49Å; Q45-S49 PolarHBondContact O-N 3.31Å; Q45-S49 PolarHBondContact O-OG 3.21Å; Q45-S49 VanDerWaalsContact O-OG 3.04Å; Q45-M81 HydrophobicContact CB-CE 3.71Å; Q45-N85 PolarHBondContact NE2-OD1 3.19Å; Q45-N85 PolarHBondContact OE1-ND2 3.13Å; Q45-L159 HydrophobicContact CB-CD1 4.5Å; Q45-L159 HydrophobicContact CB-CD2 3.95Å; Q45-L159 HydrophobicContact CG-CD1 3.81Å; Q45-L159 HydrophobicContact CG-CD2 4.07Å; Q45-A163 VanDerWaalsContact OE1-N 3.14Å
46S97.9Very high96.6Very high0 Ų044 Ų440%021%0.205CC..Hα-helixtrans-61.8-41.2177-55.20000112.5N42 Y43 I44 S49 S50 S156N42-S46 PolarHBondContact O-N 3.31Å; N42-S46 PolarHBondContact O-OG 3.29Å; Y43-S46 PolarHBondContact O-N 2.96Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 2.96Å; S46-S49 PolarHBondContact O-N 2.91Å; S46-S50 PolarHBondContact O-N 3.11Å; S46-S156 WeakPolarHBondContact OG-CA 3.45Å; S46-S156 WeakPolarHBondContact OG-CB 3.48Å; S46-S156 PolarHBondContact OG-N 3.15Å
47L95.8Very high96.5Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-60.8-52.3174.1-175.5165.6000111Y43 I44 Q45 S49 S50 M61 I116 F135 I152Y43-L47 WeakPolarHBondContact O-CB 3.28Å; Y43-L47 PolarHBondContact O-N 2.85Å; I44-L47 WeakPolarHBondContact O-CB 3.41Å; I44-L47 PolarHBondContact O-N 3.45Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.49Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.31Å; L47-S50 WeakPolarHBondContact O-CB 3.41Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.08Å; L47-S50 PolarHBondContact O-OG 3.18Å; L47-M61 HydrophobicContact CD2-CE 4.15Å; L47-I116 HydrophobicContact CD1-CD1 4.03Å; L47-I116 HydrophobicContact CD1-CG1 3.85Å; L47-I116 HydrophobicContact CD2-CD1 3.96Å; L47-I116 HydrophobicContact CD2-CG1 4.11Å; L47-F135 HydrophobicContact CD1-CB 3.7Å; L47-F135 HydrophobicContact CD1-CD2 3.74Å; L47-F135 HydrophobicContact CD1-CG 3.79Å; L47-F135 HydrophobicContact CD2-CD2 3.53Å; L47-F135 HydrophobicContact CD2-CE2 3.54Å; L47-F135 HydrophobicContact CD2-CG 4.09Å; L47-F135 HydrophobicContact CD2-CZ 4.07Å; L47-F135 HydrophobicContact CG-CB 4.19Å; L47-F135 HydrophobicContact CG-CD1 4.24Å; L47-F135 HydrophobicContact CG-CD2 3.75Å; L47-F135 HydrophobicContact CG-CE2 4.18Å; L47-F135 HydrophobicContact CG-CG 3.79Å; L47-I152 HydrophobicContact CG-CD1 4.43Å
48L97.6Very high96.3Very high1 Ų138.7 Ų38.71%0.00520%0.199CC..Hα-helixtrans-60.1-41.2178.1-65178.6000111.1I44 Q45 S50 I51 R56 M61 M81 N85 I87I44-L48 HydrophobicContact CG2-CD1 4.01Å; I44-L48 HydrophobicContact CG2-CG 4.32Å; I44-L48 VanDerWaalsContact O-CG 3.27Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 3.09Å; Q45-L48 PolarHBondContact O-N 3.16Å; L48-S50 PolarHBondContact O-N 2.68Å; L48-I51 WeakPolarHBondContact O-CB 3.46Å; L48-I51 PolarHBondContact O-N 3.1Å; L48-I51 VanDerWaalsContact O-N 3.13Å; L48-R56 PolarHBondContact O-NE 2.92Å; L48-R56 PolarHBondContact O-NH2 2.95Å; L48-R56 VanDerWaalsContact O-NH2 3.13Å; L48-M61 HydrophobicContact CD2-SD 4.05Å; L48-M81 HydrophobicContact CD1-CB 4.14Å; L48-N85 HydrophobicContact CD1-CB 3.95Å; L48-I87 HydrophobicContact CD2-CD1 3.41Å; L48-I87 VanDerWaalsContact CD2-CD1 3.41Å
49S96.8Very high96.3Very high30 Ų3038.5 Ų38.521%0.2120%0.199CC..Hα-helixtrans-66.5-18.8177.3-72.20000114.5Q45 S46 L47 I51 R56Q45-S49 PolarHBondContact NE2-OG 3.5Å; Q45-S49 VanDerWaalsContact NE2-OG 3.08Å; Q45-S49 WeakPolarHBondContact O-CB 3.49Å; Q45-S49 PolarHBondContact O-N 3.31Å; Q45-S49 PolarHBondContact O-OG 3.21Å; Q45-S49 VanDerWaalsContact O-OG 3.04Å; S46-S49 PolarHBondContact O-N 2.91Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.31Å; S49-I51 VanDerWaalsContact C-N 3.25Å; S49-I51 PolarHBondContact O-N 3.06Å; S49-R56 VanDerWaalsContact CA-NH2 3.35Å
50S93.6Very high96.3Very high10 Ų1039.6 Ų39.67%0.0721%0.206CC..Hα-helixtrans-72.6-19.8173.378.80000113.3S46 L47 L48 R151S46-S50 PolarHBondContact O-N 3.11Å; L47-S50 WeakPolarHBondContact O-CB 3.41Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.08Å; L47-S50 PolarHBondContact O-OG 3.18Å; L48-S50 PolarHBondContact O-N 2.68Å; S50-R151 VanDerWaalsContact O-CZ 3.31Å; S50-R151 PolarHBondContact O-NE 3.1Å; S50-R151 PolarHBondContact O-NH1 2.99Å; S50-R151 VanDerWaalsContact O-NH1 3.11Å
51I93.8Very high96.3Very high13 Ų1339.5 Ų39.57%0.06721%0.205CC..SBendtrans-84.4129.4174.7-55.9171.2000108.3L48 S49 L53 R56 M61 I113 F135L48-I51 WeakPolarHBondContact O-CB 3.46Å; L48-I51 PolarHBondContact O-N 3.1Å; L48-I51 VanDerWaalsContact O-N 3.13Å; S49-I51 VanDerWaalsContact C-N 3.25Å; S49-I51 PolarHBondContact O-N 3.06Å; I51-L53 PolarHBondContact O-N 3.39Å; I51-R56 HydrophobicContact CB-CB 4.5Å; I51-R56 HydrophobicContact CG2-CB 3.93Å; I51-R56 HydrophobicContact CG2-CG 4.35Å; I51-R56 PolarHBondContact O-NE 3.38Å; I51-R56 PolarHBondContact O-NH2 2.88Å; I51-M61 HydrophobicContact CD1-CE 4.43Å; I51-M61 HydrophobicContact CD1-SD 3.81Å; I51-I113 HydrophobicContact CD1-CG2 4.29Å; I51-I113 HydrophobicContact CG2-CD1 3.48Å; I51-I113 VanDerWaalsContact CG2-CD1 3.48Å; I51-I113 HydrophobicContact CG2-CG1 4.35Å; I51-F135 HydrophobicContact CD1-CZ 4.27Å; I51-F135 HydrophobicContact CG1-CZ 4.29Å
52D92.9Very high96.3Very high78 Ų7837.6 Ų37.642%0.41720%0.196SC..  trans-58.2139.2179.7-71.6-28.6000112R54 D55 R56 R151D52-R54 PolarHBondContact O-N 3.09Å; D52-R54 VanDerWaalsContact O-N 3.17Å; D52-D55 PolarHBondContact O-N 3.07Å; D52-R56 WeakPolarHBondContact O-CB 3.27Å; D52-R56 PolarHBondContact O-N 2.8Å; D52-R151 IonicContact OD1-CZ 3.79Å; D52-R151 VanDerWaalsContact OD1-CZ 3.28Å; D52-R151 IonicContact OD1-NH1 3.63Å; D52-R151 PolarHBondContact OD1-NH1 2.91Å; D52-R151 IonicContact OD1-NH2 2.87Å; D52-R151 PolarHBondContact OD1-NH2 3.25Å
53L92.7Very high96.3Very high115 Ų11537.6 Ų37.660%0.60220%0.196SC*.Hα-helixtrans-57.5-38.7-169.2-179.263.9000112.5I51 R56 Q57I51-L53 PolarHBondContact O-N 3.39Å; L53-R56 PolarHBondContact O-N 3.36Å; L53-Q57 WeakPolarHBondContact O-CG 3.46Å; L53-Q57 PolarHBondContact O-N 3.44Å
54R94.4Very high96.4Very high226 Ų22637.5 Ų37.585%0.85320%0.196SC*.Hα-helixtrans-65.7-45.4177.9-67.4-177.2-177.7179.51.3111.4D52 R56 Q57D52-R54 PolarHBondContact O-N 3.09Å; D52-R54 VanDerWaalsContact O-N 3.17Å; R54-R56 VanDerWaalsContact C-N 3.28Å; R54-R56 PolarHBondContact O-N 2.93Å; R54-Q57 PolarHBondContact O-N 3.07Å
55D94Very high96.4Very high98 Ų9837.6 Ų37.652%0.52420%0.197SC..Hα-helixtrans-74.2-22.9-178.6-60.5-24.7000112.2D52 C59 I113D52-D55 PolarHBondContact O-N 3.07Å; D55-C59 VanDerWaalsContact O-CB 3.23Å; D55-C59 WeakPolarHBondContact O-CB 3.39Å; D55-I113 HydrophobicContact CB-CD1 3.85Å; D55-I113 WeakPolarHBondContact O-CD1 3.22Å
56R94.8Very high96.4Very high19 Ų1937.1 Ų37.17%0.07220%0.195CC..Hα-helixtrans-72.5-33.4174.7-162.3-173.1-45.7170.112.1112.7L48 S49 I51 D52 L53 R54 G58 C59 N85 I87L48-R56 PolarHBondContact O-NE 2.92Å; L48-R56 PolarHBondContact O-NH2 2.95Å; L48-R56 VanDerWaalsContact O-NH2 3.13Å; S49-R56 VanDerWaalsContact CA-NH2 3.35Å; I51-R56 HydrophobicContact CB-CB 4.5Å; I51-R56 HydrophobicContact CG2-CB 3.93Å; I51-R56 HydrophobicContact CG2-CG 4.35Å; I51-R56 PolarHBondContact O-NE 3.38Å; I51-R56 PolarHBondContact O-NH2 2.88Å; D52-R56 WeakPolarHBondContact O-CB 3.27Å; D52-R56 PolarHBondContact O-N 2.8Å; L53-R56 PolarHBondContact O-N 3.36Å; R54-R56 VanDerWaalsContact C-N 3.28Å; R54-R56 PolarHBondContact O-N 2.93Å; R56-G58 PolarHBondContact O-N 2.87Å; R56-G58 VanDerWaalsContact O-N 3.15Å; R56-C59 PolarHBondContact O-N 2.85Å; R56-C59 PolarHBondContact O-SG 3.37Å; R56-N85 WeakPolarHBondContact CD-O 3.49Å; R56-N85 PolarHBondContact NH1-OD1 3.27Å; R56-N85 VanDerWaalsContact NH1-OD1 3.1Å; R56-I87 HydrophobicContact CG-CG1 4.03Å
57Q95.6Very high96.4Very high91 Ų9137.8 Ų37.843%0.42520%0.201SC..THydrogen-bonded Turntrans-65.8117.2-176.8-69.7-49.1-59.800111.2L53 R54 C59 G86L53-Q57 WeakPolarHBondContact O-CG 3.46Å; L53-Q57 PolarHBondContact O-N 3.44Å; R54-Q57 PolarHBondContact O-N 3.07Å; Q57-C59 PolarHBondContact O-N 2.92Å; Q57-G86 WeakPolarHBondContact CA-O 3.4Å
58G94.6Very high96.5Very high54 Ų5437.9 Ų37.956%0.55720%0.201SC*.THydrogen-bonded Turntrans74.85.3175.900000114.8R56 G86R56-G58 PolarHBondContact O-N 2.87Å; R56-G58 VanDerWaalsContact O-N 3.15Å; G58-G86 PolarHBondContact N-O 2.87Å
59C98Very high96.6Very high18 Ų1840.8 Ų40.812%0.12221%0.213CC..  trans-69.5169.2179.274.90000112.2D55 R56 Q57 G88 R89 I113D55-C59 VanDerWaalsContact O-CB 3.23Å; D55-C59 WeakPolarHBondContact O-CB 3.39Å; R56-C59 PolarHBondContact O-N 2.85Å; R56-C59 PolarHBondContact O-SG 3.37Å; Q57-C59 PolarHBondContact O-N 2.92Å; C59-G88 PolarHBondContact O-N 2.96Å; C59-R89 PolarHBondContact O-N 2.95Å; C59-I113 HydrophobicContact CB-CB 4.26Å; C59-I113 HydrophobicContact CB-CD1 4.28Å; C59-I113 HydrophobicContact CB-CG2 4.12Å
60T98.8Very high96.7Very high23 Ų2340.8 Ų40.814%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-108.3134.8171.6-58.70000110.1R89 V91 I110 A112 I113T60-R89 VanDerWaalsContact CA-O 3.26Å; T60-R89 WeakPolarHBondContact CA-O 3.22Å; T60-R89 HydrophobicContact CG2-CB 4.28Å; T60-R89 HydrophobicContact CG2-CG 4.22Å; T60-R89 PolarHBondContact OG1-NE 3.21Å; T60-R89 PolarHBondContact OG1-NH2 3.02Å; T60-R89 VanDerWaalsContact OG1-NH2 3.09Å; T60-V91 HydrophobicContact CG2-CG2 3.92Å; T60-I110 HydrophobicContact CG2-CD1 3.73Å; T60-A112 HydrophobicContact CG2-CB 4.32Å; T60-A112 WeakPolarHBondContact O-CA 3.26Å; T60-A112 WeakPolarHBondContact O-CB 3.44Å; T60-I113 WeakPolarHBondContact O-CG2 3.36Å; T60-I113 PolarHBondContact O-N 3Å
61M98.7Very high96.9Very high1 Ų140.5 Ų40.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-121.5150.5166.9-70-175.162.100111.5L47 L48 I51 I87 R89 L90 V91 I113 G114 I116 F135L47-M61 HydrophobicContact CD2-CE 4.15Å; L48-M61 HydrophobicContact CD2-SD 4.05Å; I51-M61 HydrophobicContact CD1-CE 4.43Å; I51-M61 HydrophobicContact CD1-SD 3.81Å; M61-I87 HydrophobicContact CG-CD1 4.21Å; M61-I87 HydrophobicContact SD-CD1 3.33Å; M61-I87 WeakPolarHBondContact SD-CD1 3.15Å; M61-I87 HydrophobicContact SD-CG1 4.32Å; M61-R89 PolarHBondContact N-O 2.93Å; M61-L90 HydrophobicContact CB-CD2 3.74Å; M61-L90 CarbonylContact O-C 3.5Å; M61-L90 WeakPolarHBondContact O-CA 3.42Å; M61-V91 PolarHBondContact O-N 3.49Å; M61-I113 HydrophobicContact CG-CG2 3.53Å; M61-I113 HydrophobicContact SD-CG2 4.32Å; M61-G114 WeakPolarHBondContact CA-O 3.02Å; M61-I116 HydrophobicContact CE-CD1 3.93Å; M61-I116 HydrophobicContact CE-CG1 3.77Å; M61-F135 HydrophobicContact CE-CD2 4.49Å; M61-F135 HydrophobicContact CE-CE2 3.84Å
62V98.9Very high97.1Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-98.7139.5173.5-176.10000109.5V91 L98 V103 I106 I107 I110 A112 G114 G115 I116V62-V91 CarbonylContact C-O 3.59Å; V62-V91 VanDerWaalsContact CA-O 3.3Å; V62-V91 WeakPolarHBondContact CA-O 3.15Å; V62-V91 HydrophobicContact CG2-CB 4.46Å; V62-L98 HydrophobicContact CG1-CD1 3.8Å; V62-V103 HydrophobicContact CB-CG1 4.31Å; V62-V103 HydrophobicContact CG1-CB 4.48Å; V62-V103 HydrophobicContact CG1-CG1 4Å; V62-V103 HydrophobicContact CG1-CG2 4.32Å; V62-I106 HydrophobicContact CG1-CB 4.45Å; V62-I106 HydrophobicContact CG1-CG2 4.23Å; V62-I106 HydrophobicContact CG2-CB 4.35Å; V62-I106 HydrophobicContact CG2-CG2 3.7Å; V62-I107 HydrophobicContact CB-CG1 3.92Å; V62-I107 HydrophobicContact CG2-CG1 3.62Å; V62-I110 HydrophobicContact CG2-CD1 4.12Å; V62-A112 HydrophobicContact CG2-CB 4.06Å; V62-G114 PolarHBondContact N-O 3.02Å; V62-G115 CarbonylContact O-C 3.58Å; V62-G115 WeakPolarHBondContact O-CA 3.31Å; V62-I116 PolarHBondContact O-N 3.41Å
63V98.9Very high97.4Very high0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-130.7133.2176-174.10000109.9I75 I78 L90 V91 I92 I116V63-I75 HydrophobicContact CG1-CG1 4.16Å; V63-I78 HydrophobicContact CG1-CD1 4.33Å; V63-I78 HydrophobicContact CG1-CG2 4.3Å; V63-I78 HydrophobicContact CG2-CG2 3.87Å; V63-L90 HydrophobicContact CG2-CD1 4.38Å; V63-L90 HydrophobicContact CG2-CD2 4.2Å; V63-V91 PolarHBondContact N-O 3.1Å; V63-I92 HydrophobicContact CB-CG1 4.19Å; V63-I92 WeakPolarHBondContact O-CA 3.35Å; V63-I116 WeakPolarHBondContact CA-O 3.43Å
64G98.7Very high97.7Very high0 Ų038.8 Ų38.80%020%0.195CC..EExtended strand (participates in β ladder)trans-152.4160.5-17900000112.6G96 I116 I117 L118G64-G96 CarbonylContact C-O 3.48Å; G64-I116 PolarHBondContact N-O 2.9Å; G64-I116 VanDerWaalsContact N-O 3.07Å; G64-I117 CarbonylContact O-C 3.52Å; G64-I117 WeakPolarHBondContact O-CA 3.42Å; G64-L118 PolarHBondContact O-N 3.12Å
65S98.8Very high97.9Very high2 Ų228.1 Ų28.11%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-136.2162.7172.180.70000112.1G67 S71 G96 L98 L118 V233S65-G67 PolarHBondContact O-N 3.01Å; S65-G67 PolarHBondContact OG-N 3.27Å; S65-G67 VanDerWaalsContact OG-N 3.13Å; S65-S71 WeakPolarHBondContact CB-OG 3.08Å; S65-S71 WeakPolarHBondContact OG-CB 3.48Å; S65-G96 PolarHBondContact N-O 3.38Å; S65-G96 PolarHBondContact OG-O 3.19Å; S65-L98 PolarHBondContact O-N 2.84Å; S65-L98 VanDerWaalsContact O-N 3.14Å; S65-L118 VanDerWaalsContact CA-O 3.28Å; S65-L118 WeakPolarHBondContact CA-O 3.41Å; S65-L118 WeakPolarHBondContact CB-O 3.33Å; S65-V233 WeakPolarHBondContact O-CG2 3.38Å
66D98.6Very high98.1Very high1 Ų126.4 Ų26.41%0.00514%0.144CC..  trans-81.82.4169.362.518.1000114.3R68 L118 T119 V233 A294 D295D66-R68 VanDerWaalsContact CG-NE 3.33Å; D66-R68 VanDerWaalsContact OD1-CB 3.3Å; D66-R68 WeakPolarHBondContact OD1-CB 3.42Å; D66-R68 WeakPolarHBondContact OD1-CG 3.31Å; D66-R68 IonicContact OD1-CZ 3.34Å; D66-R68 PolarHBondContact OD1-N 3.23Å; D66-R68 IonicContact OD1-NE 3.41Å; D66-R68 PolarHBondContact OD1-NE 3.11Å; D66-R68 IonicContact OD2-CZ 3.76Å; D66-R68 IonicContact OD2-NE 2.9Å; D66-R68 PolarHBondContact OD2-NE 3.13Å; D66-R68 IonicContact OD2-NH2 2.66Å; D66-R68 PolarHBondContact OD2-NH2 2.88Å; D66-L118 PolarHBondContact N-O 3.5Å; D66-L118 VanDerWaalsContact N-O 3.15Å; D66-T119 WeakPolarHBondContact OD2-CA 3.23Å; D66-T119 WeakPolarHBondContact OD2-CB 3.41Å; D66-T119 PolarHBondContact OD2-OG1 2.96Å; D66-V233 HydrophobicContact CB-CB 4.19Å; D66-A294 HydrophobicContact CB-CB 4.12Å; D66-A294 WeakPolarHBondContact CB-O 3.44Å; D66-A294 WeakPolarHBondContact OD2-CB 3.48Å; D66-D295 HydrophobicContact CB-CB 4.18Å
67G98.4Very high98.3Very high13 Ų1326.5 Ų26.513%0.13415%0.146CC..SBendtrans87.50.1-179.700000115.3S65 L97 E260S65-G67 PolarHBondContact O-N 3.01Å; S65-G67 PolarHBondContact OG-N 3.27Å; S65-G67 VanDerWaalsContact OG-N 3.13Å; G67-L97 VanDerWaalsContact CA-CD2 3.49Å; G67-E260 WeakPolarHBondContact O-CA 3.42Å
68R98.7Very high98.5Very high2 Ų222.2 Ų22.21%0.00813%0.127CC..  trans-59.3157.7177.769-175.660.5-131.2-2.7113.2D66 S71 A120 S121 N123 P124 D130 F131 E260 F262D66-R68 VanDerWaalsContact CG-NE 3.33Å; D66-R68 VanDerWaalsContact OD1-CB 3.3Å; D66-R68 WeakPolarHBondContact OD1-CB 3.42Å; D66-R68 WeakPolarHBondContact OD1-CG 3.31Å; D66-R68 IonicContact OD1-CZ 3.34Å; D66-R68 PolarHBondContact OD1-N 3.23Å; D66-R68 IonicContact OD1-NE 3.41Å; D66-R68 PolarHBondContact OD1-NE 3.11Å; D66-R68 IonicContact OD2-CZ 3.76Å; D66-R68 IonicContact OD2-NE 2.9Å; D66-R68 PolarHBondContact OD2-NE 3.13Å; D66-R68 IonicContact OD2-NH2 2.66Å; D66-R68 PolarHBondContact OD2-NH2 2.88Å; R68-S71 WeakPolarHBondContact O-CB 3.42Å; R68-S71 PolarHBondContact O-N 2.71Å; R68-S71 VanDerWaalsContact O-N 3.1Å; R68-S71 PolarHBondContact O-OG 2.96Å; R68-A120 VanDerWaalsContact CZ-N 3.26Å; R68-S121 PolarHBondContact NH2-O 2.79Å; R68-N123 PolarHBondContact NH1-O 3.35Å; R68-N123 PolarHBondContact NH2-O 2.84Å; R68-P124 PolarHBondContact NH1-O 2.8Å; R68-D130 PolarHBondContact NH1-O 2.68Å; R68-F131 HydrophobicContact CG-CD2 3.85Å; R68-F131 HydrophobicContact CG-CE2 3.95Å; R68-E260 CarbonylContact C-O 3.37Å; R68-E260 WeakPolarHBondContact CA-O 3.5Å; R68-F262 HydrophobicContact CB-CE1 4.44Å; R68-F262 HydrophobicContact CB-CE2 4.01Å; R68-F262 HydrophobicContact CB-CZ 3.62Å
69Y98.7Very high98.7Very high63 Ų6319.7 Ų19.725%0.24710%0.1CC..THydrogen-bonded Turntrans-46.2146.2172.6-176.8-97.3000111.4T30 E34 S71 P127 F131 E260T30-Y69 HydrophobicContact CG2-CD1 3.65Å; T30-Y69 HydrophobicContact CG2-CE1 4.06Å; E34-Y69 WeakPolarHBondContact OE1-CE1 3.43Å; E34-Y69 PolarHBondContact OE1-OH 2.96Å; Y69-S71 PolarHBondContact O-N 3.01Å; Y69-P127 HydrophobicContact CD1-CB 4.33Å; Y69-P127 HydrophobicContact CD1-CG 4.05Å; Y69-P127 HydrophobicContact CD2-CG 4.06Å; Y69-P127 HydrophobicContact CE1-CB 4.13Å; Y69-P127 HydrophobicContact CE1-CG 3.98Å; Y69-P127 HydrophobicContact CE2-CG 3.97Å; Y69-P127 HydrophobicContact CG-CG 4.12Å; Y69-F131 WeakPolarHBondContact O-CD2 3.15Å; Y69-F131 WeakPolarHBondContact O-CE2 3.2Å; Y69-E260 WeakPolarHBondContact CD2-OE2 3.41Å; Y69-E260 PolarHBondContact N-O 3.11Å
70F98.6Very high98.7Very high29 Ų2919.6 Ų19.613%0.12710%0.098CC..THydrogen-bonded Turntrans71.7-10.7-174.3-166.8-109.4000116.1T30 F33 E34 L40 R72 A73 A74 F131T30-F70 HydrophobicContact CG2-CB 3.75Å; T30-F70 HydrophobicContact CG2-CG 4.34Å; F33-F70 HydrophobicContact CB-CD1 4.13Å; F33-F70 HydrophobicContact CB-CE1 3.59Å; F33-F70 HydrophobicContact CB-CZ 4.18Å; E34-F70 HydrophobicContact CB-CD2 4.08Å; E34-F70 HydrophobicContact CB-CE2 3.98Å; E34-F70 HydrophobicContact CG-CD2 4.24Å; E34-F70 HydrophobicContact CG-CE2 4.21Å; L40-F70 HydrophobicContact CD2-CE1 3.95Å; L40-F70 HydrophobicContact CD2-CZ 3.85Å; F70-R72 PolarHBondContact O-N 3.24Å; F70-A73 HydrophobicContact CD2-CB 3.99Å; F70-A73 HydrophobicContact CE2-CB 4.03Å; F70-A73 PolarHBondContact O-N 3.16Å; F70-A74 HydrophobicContact CD1-CB 4.14Å; F70-A74 HydrophobicContact CE1-CB 4.01Å; F70-A74 PolarHBondContact O-N 3.33Å; F70-F131 HydrophobicContact CB-CD2 4.08Å; F70-F131 HydrophobicContact CB-CE2 4.08Å; F70-F131 AromaticContact CD1-CD1 4Å; F70-F131 HydrophobicContact CD1-CD1 4Å; F70-F131 HydrophobicContact CD1-CD2 4.11Å; F70-F131 AromaticContact CD1-CE1 3.84Å; F70-F131 HydrophobicContact CD1-CE1 3.84Å; F70-F131 AromaticContact CD1-CE2 3.98Å; F70-F131 HydrophobicContact CD1-CE2 3.98Å; F70-F131 HydrophobicContact CD1-CG 4.12Å; F70-F131 AromaticContact CD1-CZ 3.83Å; F70-F131 HydrophobicContact CD1-CZ 3.83Å; F70-F131 HydrophobicContact CE1-CE1 4.29Å
71S98.7Very high98.7Very high4 Ų418.5 Ų18.53%0.0289%0.091CC..Hα-helixtrans-57.3-47.4-179-66.60000113.5S65 R68 Y69 A73 A74 I75 L118S65-S71 WeakPolarHBondContact CB-OG 3.08Å; S65-S71 WeakPolarHBondContact OG-CB 3.48Å; R68-S71 WeakPolarHBondContact O-CB 3.42Å; R68-S71 PolarHBondContact O-N 2.71Å; R68-S71 VanDerWaalsContact O-N 3.1Å; R68-S71 PolarHBondContact O-OG 2.96Å; Y69-S71 PolarHBondContact O-N 3.01Å; S71-A73 PolarHBondContact O-N 3.01Å; S71-A74 PolarHBondContact O-N 3.38Å; S71-I75 VanDerWaalsContact O-CG1 3.3Å; S71-I75 WeakPolarHBondContact O-CG1 3.48Å; S71-I75 PolarHBondContact O-N 2.92Å; S71-L118 WeakPolarHBondContact O-CD1 3.45Å
72R98.3Very high98.7Very high128 Ų12818.5 Ų18.548%0.4839%0.091SC..Hα-helixtrans-62-43.5-178.5-69.6-179.1177.2-114.2-0.9112F70 I75 E76F70-R72 PolarHBondContact O-N 3.24Å; R72-I75 PolarHBondContact O-N 3.12Å; R72-E76 PolarHBondContact O-N 3.23Å
73A98.3Very high98.7Very high43 Ų4318.5 Ų18.536%0.3559%0.091SC..Hα-helixtrans-63.4-42.3176.400000111.6F70 S71 E76 V77F70-A73 HydrophobicContact CD2-CB 3.99Å; F70-A73 HydrophobicContact CE2-CB 4.03Å; F70-A73 PolarHBondContact O-N 3.16Å; S71-A73 PolarHBondContact O-N 3.01Å; A73-E76 PolarHBondContact O-N 2.87Å; A73-V77 PolarHBondContact O-N 3.47Å; A73-V77 VanDerWaalsContact O-N 3.16Å
74A98.8Very high98.6Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-66-38.6176.300000112.8L40 F70 S71 E76 V77 I78 L118 F131L40-A74 HydrophobicContact CD1-CB 4.42Å; L40-A74 HydrophobicContact CD2-CB 4.06Å; F70-A74 HydrophobicContact CD1-CB 4.14Å; F70-A74 HydrophobicContact CE1-CB 4.01Å; F70-A74 PolarHBondContact O-N 3.33Å; S71-A74 PolarHBondContact O-N 3.38Å; A74-E76 VanDerWaalsContact C-N 3.35Å; A74-V77 PolarHBondContact O-N 3.45Å; A74-I78 WeakPolarHBondContact O-CD1 3.33Å; A74-I78 VanDerWaalsContact O-CG1 3.25Å; A74-I78 WeakPolarHBondContact O-CG1 3.39Å; A74-I78 PolarHBondContact O-N 3.37Å; A74-L118 HydrophobicContact CB-CD1 3.82Å; A74-L118 HydrophobicContact CB-CD2 4.14Å; A74-F131 HydrophobicContact CB-CE1 4.06Å; A74-F131 HydrophobicContact CB-CZ 3.73Å
75I98.9Very high98.6Very high1 Ų120 Ų201%0.00510%0.101CC..Hα-helixtrans-59.7-47.3173.6-68.6170.8000110.1V63 S71 R72 V77 I78 V79 I92 G96 L118 L172V63-I75 HydrophobicContact CG1-CG1 4.16Å; S71-I75 VanDerWaalsContact O-CG1 3.3Å; S71-I75 WeakPolarHBondContact O-CG1 3.48Å; S71-I75 PolarHBondContact O-N 2.92Å; R72-I75 PolarHBondContact O-N 3.12Å; I75-V77 VanDerWaalsContact C-N 3.34Å; I75-V77 PolarHBondContact O-N 3.08Å; I75-I78 WeakPolarHBondContact O-CB 3.37Å; I75-I78 PolarHBondContact O-N 3.31Å; I75-I78 VanDerWaalsContact O-N 3.09Å; I75-V79 HydrophobicContact CG2-CG2 4.19Å; I75-V79 WeakPolarHBondContact O-CG2 3.23Å; I75-V79 PolarHBondContact O-N 3.13Å; I75-I92 HydrophobicContact CG2-CD1 4.17Å; I75-I92 HydrophobicContact CG2-CG2 4.29Å; I75-G96 VanDerWaalsContact CD1-CA 3.46Å; I75-L118 HydrophobicContact CB-CD1 4.5Å; I75-L118 HydrophobicContact CD1-CD1 4.23Å; I75-L118 HydrophobicContact CG1-CD1 3.41Å; I75-L118 VanDerWaalsContact CG1-CD1 3.41Å; I75-L172 HydrophobicContact CB-CD1 4.35Å; I75-L172 HydrophobicContact CD1-CD1 4.16Å; I75-L172 HydrophobicContact CG2-CD1 3.98Å; I75-L172 HydrophobicContact CG2-CD2 3.98Å
76E98.7Very high98.5Very high63 Ų6320.1 Ų20.129%0.29410%0.103SC..Hα-helixtrans-56.2-48.6179.4-174.8173.1-159.600111.6R72 A73 A74 I78 V79 Q80 R169R72-E76 PolarHBondContact O-N 3.23Å; A73-E76 PolarHBondContact O-N 2.87Å; A74-E76 VanDerWaalsContact C-N 3.35Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.03Å; E76-V79 PolarHBondContact O-N 3.36Å; E76-Q80 VanDerWaalsContact O-CG 3.24Å; E76-Q80 WeakPolarHBondContact O-CG 3.23Å; E76-Q80 PolarHBondContact O-N 3.07Å; E76-R169 WeakPolarHBondContact OE1-CD 3.29Å; E76-R169 IonicContact OE1-NE 3.82Å; E76-R169 IonicContact OE1-NH1 3.63Å
77V98.8Very high98.5Very high20 Ų2020.2 Ų20.212%0.12110%0.103CC..Hα-helixtrans-60.2-42.7175.2173.40000111.6L40 Q41 A73 A74 I75 V79 Q80 M81L40-V77 HydrophobicContact CD2-CB 3.87Å; L40-V77 HydrophobicContact CD2-CG1 3.93Å; L40-V77 HydrophobicContact CD2-CG2 3.98Å; L40-V77 HydrophobicContact CG-CG1 4.22Å; Q41-V77 HydrophobicContact CG-CG1 4.01Å; A73-V77 PolarHBondContact O-N 3.47Å; A73-V77 VanDerWaalsContact O-N 3.16Å; A74-V77 PolarHBondContact O-N 3.45Å; I75-V77 VanDerWaalsContact C-N 3.34Å; I75-V77 PolarHBondContact O-N 3.08Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V77-V79 PolarHBondContact O-N 3.02Å; V77-Q80 PolarHBondContact O-N 2.89Å; V77-M81 HydrophobicContact CG1-CG 4.16Å; V77-M81 HydrophobicContact CG1-SD 3.73Å; V77-M81 WeakPolarHBondContact O-CB 3.26Å; V77-M81 VanDerWaalsContact O-CG 3.26Å; V77-M81 WeakPolarHBondContact O-CG 3.45Å; V77-M81 PolarHBondContact O-N 3.4Å
78I98.9Very high98.5Very high2 Ų220.6 Ų20.61%0.0111%0.107CC..Hα-helixtrans-60.2-44.1177-72.8162.5000111.1I44 V63 A74 I75 E76 M81 A82 I116 L118I44-I78 HydrophobicContact CD1-CD1 4Å; I44-I78 HydrophobicContact CD1-CG1 3.67Å; I44-I78 HydrophobicContact CG1-CG1 3.96Å; I44-I78 HydrophobicContact CG2-CG1 4.25Å; V63-I78 HydrophobicContact CG1-CD1 4.33Å; V63-I78 HydrophobicContact CG1-CG2 4.3Å; V63-I78 HydrophobicContact CG2-CG2 3.87Å; A74-I78 WeakPolarHBondContact O-CD1 3.33Å; A74-I78 VanDerWaalsContact O-CG1 3.25Å; A74-I78 WeakPolarHBondContact O-CG1 3.39Å; A74-I78 PolarHBondContact O-N 3.37Å; I75-I78 WeakPolarHBondContact O-CB 3.37Å; I75-I78 PolarHBondContact O-N 3.31Å; I75-I78 VanDerWaalsContact O-N 3.09Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.03Å; I78-M81 PolarHBondContact O-N 3.15Å; I78-A82 WeakPolarHBondContact O-CB 3.44Å; I78-A82 PolarHBondContact O-N 3.16Å; I78-I116 HydrophobicContact CD1-CB 4.43Å; I78-I116 HydrophobicContact CD1-CD1 4.36Å; I78-I116 HydrophobicContact CD1-CG2 3.74Å; I78-I116 HydrophobicContact CG1-CD1 4.37Å; I78-I116 HydrophobicContact CG2-CD1 3.91Å; I78-L118 HydrophobicContact CD1-CD1 4.24Å; I78-L118 HydrophobicContact CD1-CD2 3.85Å; I78-L118 HydrophobicContact CD1-CG 4.33Å
79V98.8Very high98.5Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-61.2-47.9177.9-179.30000110.5I75 E76 V77 M81 A82 A83 L90 I92 L168 I170 F189 V191I75-V79 HydrophobicContact CG2-CG2 4.19Å; I75-V79 WeakPolarHBondContact O-CG2 3.23Å; I75-V79 PolarHBondContact O-N 3.13Å; E76-V79 PolarHBondContact O-N 3.36Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V77-V79 PolarHBondContact O-N 3.02Å; V79-M81 PolarHBondContact O-N 3.13Å; V79-A82 PolarHBondContact O-N 3.13Å; V79-A83 WeakPolarHBondContact O-CB 3.19Å; V79-A83 PolarHBondContact O-N 3.41Å; V79-A83 VanDerWaalsContact O-N 3.08Å; V79-L90 HydrophobicContact CB-CD1 4.18Å; V79-L90 HydrophobicContact CG1-CD1 4.32Å; V79-L90 HydrophobicContact CG2-CD1 3.84Å; V79-I92 HydrophobicContact CG2-CD1 3.6Å; V79-L168 HydrophobicContact CB-CD2 4.39Å; V79-L168 HydrophobicContact CG1-CD1 4.45Å; V79-L168 HydrophobicContact CG1-CD2 3.49Å; V79-L168 VanDerWaalsContact CG1-CD2 3.49Å; V79-I170 HydrophobicContact CG2-CG2 4.26Å; V79-F189 HydrophobicContact CG1-CE1 3.61Å; V79-F189 HydrophobicContact CG1-CZ 3.99Å; V79-V191 HydrophobicContact CG1-CG2 3.88Å
80Q98.8Very high98.5Very high16 Ų1620.2 Ų20.28%0.07511%0.105CC..Hα-helixtrans-61.4-42.3-180-66170.7-9.800112.3E76 V77 A84 I164 C165 L168E76-Q80 VanDerWaalsContact O-CG 3.24Å; E76-Q80 WeakPolarHBondContact O-CG 3.23Å; E76-Q80 PolarHBondContact O-N 3.07Å; V77-Q80 PolarHBondContact O-N 2.89Å; Q80-A84 PolarHBondContact O-N 2.9Å; Q80-I164 HydrophobicContact CB-CD1 4.16Å; Q80-I164 HydrophobicContact CB-CG1 3.62Å; Q80-C165 WeakPolarHBondContact CB-O 3.32Å; Q80-C165 VanDerWaalsContact CG-O 3.23Å; Q80-C165 WeakPolarHBondContact CG-O 3.34Å; Q80-C165 PolarHBondContact O-N 2.99Å; Q80-C165 VanDerWaalsContact O-N 3.13Å; Q80-L168 HydrophobicContact CG-CB 4.15Å; Q80-L168 PolarHBondContact NE2-O 2.81Å
81M98.8Very high98.5Very high0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-77.3-36.5-179-66.3-171.774.400112.5Q41 I44 Q45 L48 V77 I78 V79 A84 N85 Y162 I164Q41-M81 HydrophobicContact CB-CE 4.2Å; Q41-M81 HydrophobicContact CB-SD 3.9Å; Q41-M81 HydrophobicContact CG-SD 4.01Å; Q41-M81 VanDerWaalsContact O-CE 3.23Å; Q41-M81 WeakPolarHBondContact O-CE 3.44Å; I44-M81 HydrophobicContact CB-CE 4.49Å; I44-M81 HydrophobicContact CB-SD 3.94Å; I44-M81 HydrophobicContact CG2-CB 4.04Å; I44-M81 HydrophobicContact CG2-CE 4.44Å; I44-M81 HydrophobicContact CG2-SD 3.86Å; Q45-M81 HydrophobicContact CB-CE 3.71Å; L48-M81 HydrophobicContact CD1-CB 4.14Å; V77-M81 HydrophobicContact CG1-CG 4.16Å; V77-M81 HydrophobicContact CG1-SD 3.73Å; V77-M81 WeakPolarHBondContact O-CB 3.26Å; V77-M81 VanDerWaalsContact O-CG 3.26Å; V77-M81 WeakPolarHBondContact O-CG 3.45Å; V77-M81 PolarHBondContact O-N 3.4Å; I78-M81 PolarHBondContact O-N 3.15Å; V79-M81 PolarHBondContact O-N 3.13Å; M81-A84 PolarHBondContact O-N 3.05Å; M81-N85 VanDerWaalsContact O-CB 3.29Å; M81-N85 WeakPolarHBondContact O-CB 3.44Å; M81-N85 PolarHBondContact O-N 2.91Å; M81-N85 PolarHBondContact O-ND2 2.95Å; M81-Y162 HydrophobicContact CE-CD2 3.74Å; M81-Y162 HydrophobicContact CE-CG 3.99Å; M81-I164 HydrophobicContact CG-CB 4.14Å; M81-I164 HydrophobicContact CG-CD1 3.9Å; M81-I164 HydrophobicContact CG-CG1 3.81Å
82A98.6Very high98.5Very high1 Ų118.9 Ų18.91%0.00810%0.099CC..Hα-helixtrans-62.1-44.9175.900000111.5I78 V79 N85 G86 I87 L90I78-A82 WeakPolarHBondContact O-CB 3.44Å; I78-A82 PolarHBondContact O-N 3.16Å; V79-A82 PolarHBondContact O-N 3.13Å; A82-N85 PolarHBondContact O-N 3.32Å; A82-G86 PolarHBondContact O-N 3.17Å; A82-I87 HydrophobicContact CB-CB 4.2Å; A82-I87 HydrophobicContact CB-CD1 3.61Å; A82-I87 HydrophobicContact CB-CG1 4.4Å; A82-I87 WeakPolarHBondContact O-CB 3.41Å; A82-I87 PolarHBondContact O-N 3.26Å; A82-I87 VanDerWaalsContact O-N 3.13Å; A82-L90 HydrophobicContact CB-CD1 3.92Å; A82-L90 HydrophobicContact CB-CD2 4.13Å; A82-L90 HydrophobicContact CB-CG 4.3Å
83A98.3Very high98.5Very high0 Ų012.8 Ų12.80%08%0.076CC..Hα-helixtrans-55.1-53.9173.500000111.3V79 N85 G86 L168 L182 F189V79-A83 WeakPolarHBondContact O-CB 3.19Å; V79-A83 PolarHBondContact O-N 3.41Å; V79-A83 VanDerWaalsContact O-N 3.08Å; A83-N85 VanDerWaalsContact C-N 3.26Å; A83-N85 PolarHBondContact O-N 3Å; A83-G86 PolarHBondContact O-N 3.26Å; A83-G86 VanDerWaalsContact O-N 3.1Å; A83-L168 HydrophobicContact CB-CD1 3.88Å; A83-L182 HydrophobicContact CB-CD1 3.79Å; A83-L182 HydrophobicContact CB-CD2 4.36Å; A83-L182 WeakPolarHBondContact O-CD1 3.19Å; A83-F189 HydrophobicContact CB-CD1 3.73Å; A83-F189 HydrophobicContact CB-CD2 4.15Å; A83-F189 HydrophobicContact CB-CE1 3.84Å; A83-F189 HydrophobicContact CB-CE2 4.24Å; A83-F189 HydrophobicContact CB-CG 3.87Å; A83-F189 HydrophobicContact CB-CZ 4.08Å
84A98.2Very high98.5Very high14 Ų1412.7 Ų12.712%0.1167%0.069CC..Hα-helixtrans-60.2-33.2178.800000113.4V8 Q80 M81 G86 A163V8-A84 HydrophobicContact CG1-CB 3.85Å; Q80-A84 PolarHBondContact O-N 2.9Å; M81-A84 PolarHBondContact O-N 3.05Å; A84-G86 VanDerWaalsContact C-N 3.32Å; A84-G86 PolarHBondContact O-N 3.38Å; A84-A163 VanDerWaalsContact CB-C 3.47Å; A84-A163 HydrophobicContact CB-CB 3.86Å
85N98.1Very high98.5Very high18 Ų1815.2 Ų15.210%0.0968%0.083CC..THydrogen-bonded Turntrans-85.3-0.1180-84.2-93.5000114.1Q45 L48 R56 M81 A82 A83Q45-N85 PolarHBondContact NE2-OD1 3.19Å; Q45-N85 PolarHBondContact OE1-ND2 3.13Å; L48-N85 HydrophobicContact CD1-CB 3.95Å; R56-N85 WeakPolarHBondContact CD-O 3.49Å; R56-N85 PolarHBondContact NH1-OD1 3.27Å; R56-N85 VanDerWaalsContact NH1-OD1 3.1Å; M81-N85 VanDerWaalsContact O-CB 3.29Å; M81-N85 WeakPolarHBondContact O-CB 3.44Å; M81-N85 PolarHBondContact O-N 2.91Å; M81-N85 PolarHBondContact O-ND2 2.95Å; A82-N85 PolarHBondContact O-N 3.32Å; A83-N85 VanDerWaalsContact C-N 3.26Å; A83-N85 PolarHBondContact O-N 3Å
86G96.6Very high98.5Very high4 Ų415.2 Ų15.24%0.0418%0.083CC..THydrogen-bonded Turntrans85.215.9172.800000116.9Q57 G58 A82 A83 A84Q57-G86 WeakPolarHBondContact CA-O 3.4Å; G58-G86 PolarHBondContact N-O 2.87Å; A82-G86 PolarHBondContact O-N 3.17Å; A83-G86 PolarHBondContact O-N 3.26Å; A83-G86 VanDerWaalsContact O-N 3.1Å; A84-G86 VanDerWaalsContact C-N 3.32Å; A84-G86 PolarHBondContact O-N 3.38Å
87I98.3Very high98.5Very high4 Ų413.4 Ų13.42%0.0218%0.075CC..  trans-59.4138.2163.8-68.6169.6000108.2L48 R56 M61 A82 R89 L90 F189L48-I87 HydrophobicContact CD2-CD1 3.41Å; L48-I87 VanDerWaalsContact CD2-CD1 3.41Å; R56-I87 HydrophobicContact CG-CG1 4.03Å; M61-I87 HydrophobicContact CG-CD1 4.21Å; M61-I87 HydrophobicContact SD-CD1 3.33Å; M61-I87 WeakPolarHBondContact SD-CD1 3.15Å; M61-I87 HydrophobicContact SD-CG1 4.32Å; A82-I87 HydrophobicContact CB-CB 4.2Å; A82-I87 HydrophobicContact CB-CD1 3.61Å; A82-I87 HydrophobicContact CB-CG1 4.4Å; A82-I87 WeakPolarHBondContact O-CB 3.41Å; A82-I87 PolarHBondContact O-N 3.26Å; A82-I87 VanDerWaalsContact O-N 3.13Å; I87-R89 WeakPolarHBondContact CG2-O 3.31Å; I87-L90 HydrophobicContact CG2-CD2 3.99Å; I87-F189 HydrophobicContact CG2-CE2 4.48Å; I87-F189 VanDerWaalsContact O-CD2 3.27Å; I87-F189 WeakPolarHBondContact O-CD2 3.43Å
88G98.1Very high98.5Very high20 Ų2012.5 Ų12.521%0.2067%0.069CC..  trans-85-36.2-177.700000113.3C59 R190C59-G88 PolarHBondContact O-N 2.96Å; G88-R190 PolarHBondContact O-N 2.81Å
89R98.8Very high98.5Very high57 Ų5712.4 Ų12.422%0.2157%0.069CC..EExtended strand (participates in β ladder)trans-145136.9-174.5-176.6174.263.6155.1-1.8112.8C59 T60 M61 I87 R190 E192C59-R89 PolarHBondContact O-N 2.95Å; T60-R89 VanDerWaalsContact CA-O 3.26Å; T60-R89 WeakPolarHBondContact CA-O 3.22Å; T60-R89 HydrophobicContact CG2-CB 4.28Å; T60-R89 HydrophobicContact CG2-CG 4.22Å; T60-R89 PolarHBondContact OG1-NE 3.21Å; T60-R89 PolarHBondContact OG1-NH2 3.02Å; T60-R89 VanDerWaalsContact OG1-NH2 3.09Å; M61-R89 PolarHBondContact N-O 2.93Å; I87-R89 WeakPolarHBondContact CG2-O 3.31Å; R89-R190 CarbonylContact C-O 3.55Å; R89-R190 VanDerWaalsContact CA-O 3.22Å; R89-R190 WeakPolarHBondContact CA-O 3.33Å; R89-R190 HydrophobicContact CB-CB 4.39Å; R89-R190 HydrophobicContact CG-CB 4.24Å; R89-R190 HydrophobicContact CG-CG 4.47Å; R89-E192 WeakPolarHBondContact CD-OE1 3.14Å; R89-E192 IonicContact CZ-OE2 2.78Å; R89-E192 IonicContact NH1-OE1 3.8Å; R89-E192 PolarHBondContact NH1-OE1 3.14Å; R89-E192 IonicContact NH1-OE2 3.68Å; R89-E192 PolarHBondContact NH1-OE2 2.9Å
90L98.9Very high98.5Very high1 Ų112.4 Ų12.41%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-109.3137.1162.2-64-174.9000110.9M61 V63 V79 A82 I87 I92 F189 R190 V191 E192M61-L90 HydrophobicContact CB-CD2 3.74Å; M61-L90 CarbonylContact O-C 3.5Å; M61-L90 WeakPolarHBondContact O-CA 3.42Å; V63-L90 HydrophobicContact CG2-CD1 4.38Å; V63-L90 HydrophobicContact CG2-CD2 4.2Å; V79-L90 HydrophobicContact CB-CD1 4.18Å; V79-L90 HydrophobicContact CG1-CD1 4.32Å; V79-L90 HydrophobicContact CG2-CD1 3.84Å; A82-L90 HydrophobicContact CB-CD1 3.92Å; A82-L90 HydrophobicContact CB-CD2 4.13Å; A82-L90 HydrophobicContact CB-CG 4.3Å; I87-L90 HydrophobicContact CG2-CD2 3.99Å; L90-I92 HydrophobicContact CB-CD1 4.22Å; L90-I92 HydrophobicContact CB-CG1 4.08Å; L90-I92 HydrophobicContact CD1-CD1 4.36Å; L90-F189 HydrophobicContact CB-CZ 4.45Å; L90-F189 HydrophobicContact CD1-CE2 4.45Å; L90-F189 HydrophobicContact CD1-CZ 3.77Å; L90-F189 HydrophobicContact CG-CE2 4.02Å; L90-F189 HydrophobicContact CG-CZ 3.75Å; L90-R190 PolarHBondContact N-O 3.44Å; L90-V191 HydrophobicContact CB-CG1 4.46Å; L90-V191 HydrophobicContact CB-CG2 4.4Å; L90-V191 CarbonylContact O-C 3.58Å; L90-V191 WeakPolarHBondContact O-CA 3.36Å; L90-E192 PolarHBondContact O-N 2.85Å
91V98.9Very high98.5Very high5 Ų511.7 Ų11.73%0.037%0.066CC..EExtended strand (participates in β ladder)trans-109.6117.9168.6178.20000107.7T60 M61 V62 V63 I106 I110 E192 V194T60-V91 HydrophobicContact CG2-CG2 3.92Å; M61-V91 PolarHBondContact O-N 3.49Å; V62-V91 CarbonylContact C-O 3.59Å; V62-V91 VanDerWaalsContact CA-O 3.3Å; V62-V91 WeakPolarHBondContact CA-O 3.15Å; V62-V91 HydrophobicContact CG2-CB 4.46Å; V63-V91 PolarHBondContact N-O 3.1Å; V91-I106 HydrophobicContact CG1-CG2 4.1Å; V91-I110 HydrophobicContact CB-CD1 4.22Å; V91-I110 HydrophobicContact CG2-CD1 3.65Å; V91-E192 WeakPolarHBondContact CA-O 3.43Å; V91-E192 HydrophobicContact CG2-CB 4.41Å; V91-V194 HydrophobicContact CG1-CB 4.48Å; V91-V194 HydrophobicContact CG1-CG1 3.8Å; V91-V194 HydrophobicContact CG1-CG2 3.81Å
92I98.9Very high98.5Very high0 Ų011.7 Ų11.70%07%0.066CC..EExtended strand (participates in β ladder)trans-125.8138.5-171.7-45.5-175000109.1V63 I75 V79 L90 L172 V191 E192 I193 V194V63-I92 HydrophobicContact CB-CG1 4.19Å; V63-I92 WeakPolarHBondContact O-CA 3.35Å; I75-I92 HydrophobicContact CG2-CD1 4.17Å; I75-I92 HydrophobicContact CG2-CG2 4.29Å; V79-I92 HydrophobicContact CG2-CD1 3.6Å; L90-I92 HydrophobicContact CB-CD1 4.22Å; L90-I92 HydrophobicContact CB-CG1 4.08Å; L90-I92 HydrophobicContact CD1-CD1 4.36Å; I92-L172 HydrophobicContact CD1-CD2 4.48Å; I92-L172 HydrophobicContact CG2-CD2 4.09Å; I92-V191 HydrophobicContact CD1-CG1 3.57Å; I92-V191 HydrophobicContact CG1-CG1 3.93Å; I92-E192 PolarHBondContact N-O 2.87Å; I92-I193 HydrophobicContact CB-CD1 3.91Å; I92-I193 HydrophobicContact CG2-CD1 4.49Å; I92-I193 CarbonylContact O-C 3.57Å; I92-I193 VanDerWaalsContact O-CA 3.29Å; I92-I193 WeakPolarHBondContact O-CA 3.43Å; I92-V194 PolarHBondContact O-N 3.24Å
93G98.5Very high98.5Very high0 Ų011.6 Ų11.60%07%0.065CC..EExtended strand (participates in β ladder)trans-64.8151.417400000112.8N95 G96 V194G93-N95 PolarHBondContact O-N 3.35Å; G93-G96 VanDerWaalsContact O-CA 3.31Å; G93-G96 WeakPolarHBondContact O-CA 3.24Å; G93-G96 PolarHBondContact O-N 3.36Å; G93-V194 CarbonylContact C-O 3.57Å
94L98.6Very high98.5Very high40 Ų4011.6 Ų11.621%0.2097%0.065CC..EExtended strand (participates in β ladder)trans-52.5132.1170.7-175.964000110.3G96 L97 S173 V175 I193 V194L94-G96 PolarHBondContact O-N 3.27Å; L94-G96 VanDerWaalsContact O-N 3.12Å; L94-L97 PolarHBondContact O-N 3.28Å; L94-S173 WeakPolarHBondContact CD1-O 3.17Å; L94-V175 HydrophobicContact CD1-CG2 3.88Å; L94-V175 HydrophobicContact CD2-CG2 4.21Å; L94-V175 HydrophobicContact CG-CG2 4.43Å; L94-I193 HydrophobicContact CB-CG2 4.45Å; L94-I193 HydrophobicContact CD1-CG2 4.11Å; L94-V194 PolarHBondContact N-O 3.01Å
95N98.5Very high98.5Very high54 Ų5411.3 Ų11.329%0.2896%0.062SC..EExtended strand (participates in β ladder)trans58.515.1-172.8-64.7-56.1000115.1G93 L97 L172G93-N95 PolarHBondContact O-N 3.35Å; N95-L97 VanDerWaalsContact C-N 3.29Å; N95-L97 HydrophobicContact CB-CD1 4.36Å; N95-L97 HydrophobicContact CB-CG 4.33Å; N95-L172 WeakPolarHBondContact CA-O 3.42Å; N95-L172 PolarHBondContact N-O 3.39Å
96G98.3Very high98.6Very high0 Ų010.7 Ų10.70%06%0.059CC..EExtended strand (participates in β ladder)trans81.61.3-172.600000114.4G64 S65 I75 G93 L94G64-G96 CarbonylContact C-O 3.48Å; S65-G96 PolarHBondContact N-O 3.38Å; S65-G96 PolarHBondContact OG-O 3.19Å; I75-G96 VanDerWaalsContact CD1-CA 3.46Å; G93-G96 VanDerWaalsContact O-CA 3.31Å; G93-G96 WeakPolarHBondContact O-CA 3.24Å; G93-G96 PolarHBondContact O-N 3.36Å; L94-G96 PolarHBondContact O-N 3.27Å; L94-G96 VanDerWaalsContact O-N 3.12Å
97L98.8Very high98.7Very high26 Ų2610.5 Ų10.514%0.1366%0.057CC..EExtended strand (participates in β ladder)trans-87.1117.6-172.5-60.3174.5000111.4G67 L94 N95 S196 V233 P258G67-L97 VanDerWaalsContact CA-CD2 3.49Å; L94-L97 PolarHBondContact O-N 3.28Å; N95-L97 VanDerWaalsContact C-N 3.29Å; N95-L97 HydrophobicContact CB-CD1 4.36Å; N95-L97 HydrophobicContact CB-CG 4.33Å; L97-S196 VanDerWaalsContact O-CB 3.22Å; L97-S196 WeakPolarHBondContact O-CB 3.43Å; L97-S196 PolarHBondContact O-OG 3.29Å; L97-V233 HydrophobicContact CB-CG2 4.44Å; L97-P258 HydrophobicContact CD1-CB 4.43Å; L97-P258 HydrophobicContact CD1-CG 4.11Å; L97-P258 HydrophobicContact CD2-CB 4.48Å
98L98.8Very high98.6Very high0 Ų014.2 Ų14.20%07%0.071CC..  trans-144.1132.4163-70.9172.3000108.9V62 S65 A102 V103 I106V62-L98 HydrophobicContact CG1-CD1 3.8Å; S65-L98 PolarHBondContact O-N 2.84Å; S65-L98 VanDerWaalsContact O-N 3.14Å; L98-A102 HydrophobicContact CD2-CB 4.27Å; L98-V103 HydrophobicContact CB-CG2 3.66Å; L98-V103 HydrophobicContact CD1-CG2 4.02Å; L98-V103 HydrophobicContact CG-CG2 4.48Å; L98-I106 HydrophobicContact CD1-CD1 4.06Å; L98-I106 HydrophobicContact CD2-CD1 3.85Å
99S98.8Very high98.7Very high1 Ų120.8 Ų20.81%0.0079%0.094CC..  trans-68.3154.9171.4720000110.2P101 A102 V103 Y237 D295S99-P101 VanDerWaalsContact C-N 3.31Å; S99-A102 PolarHBondContact O-N 3.48Å; S99-A102 VanDerWaalsContact OG-CB 3.29Å; S99-A102 WeakPolarHBondContact OG-CB 3.3Å; S99-A102 PolarHBondContact OG-N 2.86Å; S99-A102 VanDerWaalsContact OG-N 3.16Å; S99-V103 WeakPolarHBondContact O-CG2 3.43Å; S99-V103 PolarHBondContact O-N 2.84Å; S99-Y237 PolarHBondContact N-OH 3.42Å; S99-D295 WeakPolarHBondContact CB-O 3.38Å
100T98.6Very high98.6Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-55.6-43175.3-72.90000111.9A102 V103 S104 I117 D295 D297 E393T100-A102 PolarHBondContact O-N 3.49Å; T100-V103 PolarHBondContact O-N 3.24Å; T100-S104 PolarHBondContact O-N 3.31Å; T100-S104 VanDerWaalsContact O-N 3.08Å; T100-I117 HydrophobicContact CG2-CD1 4.1Å; T100-D295 WeakPolarHBondContact CB-OD2 3.33Å; T100-D295 PolarHBondContact N-O 3.39Å; T100-D295 WeakPolarHBondContact OG1-CB 2.94Å; T100-D295 PolarHBondContact OG1-OD2 3.49Å; T100-D297 HydrophobicContact CG2-CB 4.12Å; T100-E393 HydrophobicContact CG2-CB 3.97Å; T100-E393 HydrophobicContact CG2-CG 3.58Å
101P98.7Very high98.6Very high0 Ų029.5 Ų29.50%014%0.135CC..Hα-helixtrans-59.1-41.9171.8-25.133.1000114.2S99 S104 C105 Y200 I391 D395S99-P101 VanDerWaalsContact C-N 3.31Å; P101-S104 PolarHBondContact O-N 3.14Å; P101-C105 WeakPolarHBondContact O-CB 3.33Å; P101-C105 PolarHBondContact O-N 3.18Å; P101-Y200 HydrophobicContact CB-CD2 4.43Å; P101-Y200 HydrophobicContact CB-CE2 3.78Å; P101-I391 HydrophobicContact CB-CD1 3.79Å; P101-D395 HydrophobicContact CB-CB 4.15Å; P101-D395 WeakPolarHBondContact CB-OD2 3.07Å; P101-D395 HydrophobicContact CG-CB 4.07Å
102A98.8Very high98.6Very high0 Ų029.4 Ų29.40%014%0.135CC..Hα-helixtrans-66.6-39.317900000111.9L98 S99 T100 C105 I106 Y200 Y237L98-A102 HydrophobicContact CD2-CB 4.27Å; S99-A102 PolarHBondContact O-N 3.48Å; S99-A102 VanDerWaalsContact OG-CB 3.29Å; S99-A102 WeakPolarHBondContact OG-CB 3.3Å; S99-A102 PolarHBondContact OG-N 2.86Å; S99-A102 VanDerWaalsContact OG-N 3.16Å; T100-A102 PolarHBondContact O-N 3.49Å; A102-C105 WeakPolarHBondContact O-CB 3.24Å; A102-C105 PolarHBondContact O-N 2.86Å; A102-I106 WeakPolarHBondContact O-CB 3.23Å; A102-I106 VanDerWaalsContact O-CG1 3.24Å; A102-I106 WeakPolarHBondContact O-CG1 3.45Å; A102-I106 PolarHBondContact O-N 3.37Å; A102-Y200 HydrophobicContact CB-CD2 4.45Å; A102-Y200 HydrophobicContact CB-CG 4.34Å; A102-Y237 HydrophobicContact CB-CE1 3.92Å; A102-Y237 WeakPolarHBondContact CB-OH 3.5Å
103V98.8Very high98.5Very high0 Ų031.5 Ų31.50%015%0.146CC..Hα-helixtrans-59.8-49.4173.21740000110.6V62 L98 S99 T100 C105 I106 I107 I117V62-V103 HydrophobicContact CB-CG1 4.31Å; V62-V103 HydrophobicContact CG1-CB 4.48Å; V62-V103 HydrophobicContact CG1-CG1 4Å; V62-V103 HydrophobicContact CG1-CG2 4.32Å; L98-V103 HydrophobicContact CB-CG2 3.66Å; L98-V103 HydrophobicContact CD1-CG2 4.02Å; L98-V103 HydrophobicContact CG-CG2 4.48Å; S99-V103 WeakPolarHBondContact O-CG2 3.43Å; S99-V103 PolarHBondContact O-N 2.84Å; T100-V103 PolarHBondContact O-N 3.24Å; V103-C105 VanDerWaalsContact C-N 3.32Å; V103-C105 PolarHBondContact O-N 3.38Å; V103-I106 PolarHBondContact O-N 3.08Å; V103-I107 HydrophobicContact CG1-CD1 3.61Å; V103-I107 HydrophobicContact CG1-CG1 4.18Å; V103-I107 VanDerWaalsContact O-CG1 3.27Å; V103-I107 WeakPolarHBondContact O-CG1 3.27Å; V103-I107 PolarHBondContact O-N 3.31Å; V103-I117 HydrophobicContact CB-CD1 3.91Å; V103-I117 HydrophobicContact CB-CG1 4.2Å; V103-I117 HydrophobicContact CG1-CD1 3.82Å; V103-I117 HydrophobicContact CG1-CG1 3.86Å; V103-I117 HydrophobicContact CG2-CD1 4.26Å; V103-I117 HydrophobicContact CG2-CG1 4.15Å
104S98.6Very high98.4Very high0 Ų031.5 Ų31.50%015%0.146CC..Hα-helixtrans-58.2-44.7177.8-167.20000111.9T100 P101 R108 G140 R392T100-S104 PolarHBondContact O-N 3.31Å; T100-S104 VanDerWaalsContact O-N 3.08Å; P101-S104 PolarHBondContact O-N 3.14Å; S104-R108 WeakPolarHBondContact O-CD 3.47Å; S104-R108 VanDerWaalsContact O-CG 3.26Å; S104-R108 WeakPolarHBondContact O-CG 3.42Å; S104-R108 PolarHBondContact O-N 3.21Å; S104-G140 VanDerWaalsContact CB-O 3.23Å; S104-G140 WeakPolarHBondContact CB-O 3.23Å; S104-G140 PolarHBondContact OG-O 3.01Å; S104-R392 PolarHBondContact OG-N 3.11Å; S104-R392 VanDerWaalsContact OG-N 3.09Å
105C98.8Very high98.4Very high8 Ų829.6 Ų29.65%0.05414%0.136CC..Hα-helixtrans-58-51.1175.6179.60000112P101 A102 V103 R108 K109 Y200 M203 I391P101-C105 WeakPolarHBondContact O-CB 3.33Å; P101-C105 PolarHBondContact O-N 3.18Å; A102-C105 WeakPolarHBondContact O-CB 3.24Å; A102-C105 PolarHBondContact O-N 2.86Å; V103-C105 VanDerWaalsContact C-N 3.32Å; V103-C105 PolarHBondContact O-N 3.38Å; C105-R108 PolarHBondContact O-N 3.43Å; C105-K109 VanDerWaalsContact O-CB 3.27Å; C105-K109 WeakPolarHBondContact O-CB 3.34Å; C105-K109 PolarHBondContact O-N 2.85Å; C105-Y200 HydrophobicContact CB-CD2 4.3Å; C105-M203 HydrophobicContact CB-CE 4.09Å; C105-M203 HydrophobicContact CB-SD 4Å; C105-I391 HydrophobicContact CB-CG2 4.08Å
106I98.8Very high98.4Very high5 Ų527.1 Ų27.13%0.02612%0.122CC..Hα-helixtrans-66-45.4-177-67165.4000110.6V62 V91 L98 A102 V103 R108 K109 I110 V199V62-I106 HydrophobicContact CG1-CB 4.45Å; V62-I106 HydrophobicContact CG1-CG2 4.23Å; V62-I106 HydrophobicContact CG2-CB 4.35Å; V62-I106 HydrophobicContact CG2-CG2 3.7Å; V91-I106 HydrophobicContact CG1-CG2 4.1Å; L98-I106 HydrophobicContact CD1-CD1 4.06Å; L98-I106 HydrophobicContact CD2-CD1 3.85Å; A102-I106 WeakPolarHBondContact O-CB 3.23Å; A102-I106 VanDerWaalsContact O-CG1 3.24Å; A102-I106 WeakPolarHBondContact O-CG1 3.45Å; A102-I106 PolarHBondContact O-N 3.37Å; V103-I106 PolarHBondContact O-N 3.08Å; I106-R108 VanDerWaalsContact C-N 3.28Å; I106-R108 PolarHBondContact O-N 3.42Å; I106-K109 PolarHBondContact O-N 3.27Å; I106-I110 HydrophobicContact CG2-CD1 3.9Å; I106-I110 HydrophobicContact CG2-CG1 4.46Å; I106-I110 HydrophobicContact CG2-CG2 4.42Å; I106-I110 WeakPolarHBondContact O-CG1 3.41Å; I106-I110 PolarHBondContact O-N 3.35Å; I106-V199 HydrophobicContact CG1-CB 4.03Å; I106-V199 HydrophobicContact CG1-CG1 3.93Å; I106-V199 HydrophobicContact CG1-CG2 4.5Å
107I98.7Very high98.4Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-51.5-51.8177.2-72168.6000109.9V62 V103 K111 A112 N136V62-I107 HydrophobicContact CB-CG1 3.92Å; V62-I107 HydrophobicContact CG2-CG1 3.62Å; V103-I107 HydrophobicContact CG1-CD1 3.61Å; V103-I107 HydrophobicContact CG1-CG1 4.18Å; V103-I107 VanDerWaalsContact O-CG1 3.27Å; V103-I107 WeakPolarHBondContact O-CG1 3.27Å; V103-I107 PolarHBondContact O-N 3.31Å; I107-K111 VanDerWaalsContact O-CA 3.31Å; I107-K111 WeakPolarHBondContact O-CA 3.35Å; I107-K111 PolarHBondContact O-N 3.4Å; I107-A112 HydrophobicContact CB-CB 4.39Å; I107-A112 HydrophobicContact CG1-CB 4.34Å; I107-A112 HydrophobicContact CG2-CB 4.24Å; I107-A112 PolarHBondContact O-N 3.33Å; I107-N136 HydrophobicContact CD1-CB 3.89Å
108R98.1Very high98.4Very high82 Ų8225.9 Ų25.931%0.30912%0.116SC..Hα-helixtrans-65.9-42.2-178.7-67.8169.264.572.4-0.7112S104 C105 I106 N139S104-R108 WeakPolarHBondContact O-CD 3.47Å; S104-R108 VanDerWaalsContact O-CG 3.26Å; S104-R108 WeakPolarHBondContact O-CG 3.42Å; S104-R108 PolarHBondContact O-N 3.21Å; C105-R108 PolarHBondContact O-N 3.43Å; I106-R108 VanDerWaalsContact C-N 3.28Å; I106-R108 PolarHBondContact O-N 3.42Å; R108-N139 VanDerWaalsContact CD-O 3.26Å; R108-N139 WeakPolarHBondContact CD-O 3.48Å; R108-N139 WeakPolarHBondContact CG-O 3.3Å; R108-N139 PolarHBondContact NH1-O 2.8Å
109K98.4Very high98.3Very high157 Ų15725.9 Ų25.968%0.68312%0.116SC*.Hα-helixtrans-63.6-44.1-178.3-179.362.1175.5-1750112.4C105 I106 V199C105-K109 VanDerWaalsContact O-CB 3.27Å; C105-K109 WeakPolarHBondContact O-CB 3.34Å; C105-K109 PolarHBondContact O-N 2.85Å; I106-K109 PolarHBondContact O-N 3.27Å; K109-V199 HydrophobicContact CB-CG1 4.36Å; K109-V199 HydrophobicContact CG-CG1 4.16Å
110I98.4Very high98.2Very high55 Ų5525.8 Ų25.828%0.28212%0.115SC..Hα-helixtrans-97.30.8-175.778.4-175.7000113.2T60 V62 V91 I106 A112T60-I110 HydrophobicContact CG2-CD1 3.73Å; V62-I110 HydrophobicContact CG2-CD1 4.12Å; V91-I110 HydrophobicContact CB-CD1 4.22Å; V91-I110 HydrophobicContact CG2-CD1 3.65Å; I106-I110 HydrophobicContact CG2-CD1 3.9Å; I106-I110 HydrophobicContact CG2-CG1 4.46Å; I106-I110 HydrophobicContact CG2-CG2 4.42Å; I106-I110 WeakPolarHBondContact O-CG1 3.41Å; I106-I110 PolarHBondContact O-N 3.35Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 HydrophobicContact CD1-CB 4.2Å; I110-A112 HydrophobicContact CG1-CB 3.91Å; I110-A112 PolarHBondContact O-N 3.44Å
111K98.1Very high97.9Very high187 Ų18725.9 Ų25.981%0.81312%0.116SC*.THydrogen-bonded Turntrans53.946.4-174.9-55.3-179.6179.2-177.90111.9I107I107-K111 VanDerWaalsContact O-CA 3.31Å; I107-K111 WeakPolarHBondContact O-CA 3.35Å; I107-K111 PolarHBondContact O-N 3.4Å
112A98.1Very high97.6Very high3 Ų326.9 Ų26.93%0.02512%0.121CC..  trans-65.6155.5173.600000110.4T60 V62 I107 I110 G114T60-A112 HydrophobicContact CG2-CB 4.32Å; T60-A112 WeakPolarHBondContact O-CA 3.26Å; T60-A112 WeakPolarHBondContact O-CB 3.44Å; V62-A112 HydrophobicContact CG2-CB 4.06Å; I107-A112 HydrophobicContact CB-CB 4.39Å; I107-A112 HydrophobicContact CG1-CB 4.34Å; I107-A112 HydrophobicContact CG2-CB 4.24Å; I107-A112 PolarHBondContact O-N 3.33Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 HydrophobicContact CD1-CB 4.2Å; I110-A112 HydrophobicContact CG1-CB 3.91Å; I110-A112 PolarHBondContact O-N 3.44Å; A112-G114 PolarHBondContact O-N 3.48Å
113I96.9Very high97.3Very high44 Ų4427.8 Ų27.823%0.22613%0.125CC..SBendtrans-71-18.8176.5-161.5159.2000112.2I51 D55 C59 T60 M61 V137 A138I51-I113 HydrophobicContact CD1-CG2 4.29Å; I51-I113 HydrophobicContact CG2-CD1 3.48Å; I51-I113 VanDerWaalsContact CG2-CD1 3.48Å; I51-I113 HydrophobicContact CG2-CG1 4.35Å; D55-I113 HydrophobicContact CB-CD1 3.85Å; D55-I113 WeakPolarHBondContact O-CD1 3.22Å; C59-I113 HydrophobicContact CB-CB 4.26Å; C59-I113 HydrophobicContact CB-CD1 4.28Å; C59-I113 HydrophobicContact CB-CG2 4.12Å; T60-I113 WeakPolarHBondContact O-CG2 3.36Å; T60-I113 PolarHBondContact O-N 3Å; M61-I113 HydrophobicContact CG-CG2 3.53Å; M61-I113 HydrophobicContact SD-CG2 4.32Å; I113-V137 CarbonylContact O-C 3.59Å; I113-A138 WeakPolarHBondContact O-CA 3.38Å; I113-A138 PolarHBondContact O-N 3.07Å
114G96.6Very high97.1Very high0 Ų030.1 Ų30.10%014%0.14CC..EExtended strand (participates in β ladder)trans163.5-166-178.900000111.5M61 V62 A112 N136M61-G114 WeakPolarHBondContact CA-O 3.02Å; V62-G114 PolarHBondContact N-O 3.02Å; A112-G114 PolarHBondContact O-N 3.48Å; G114-N136 CarbonylContact C-O 3.49Å; G114-N136 WeakPolarHBondContact CA-O 3.47Å
115G97.8Very high97Very high0 Ų030.6 Ų30.60%015%0.146CC..EExtended strand (participates in β ladder)trans-160.1158.9175.100000114.2V62 F135 N136V62-G115 CarbonylContact O-C 3.58Å; V62-G115 WeakPolarHBondContact O-CA 3.31Å; G115-F135 WeakPolarHBondContact O-CA 3.36Å; G115-F135 WeakPolarHBondContact O-CD2 3.35Å; G115-N136 PolarHBondContact N-O 2.86Å; G115-N136 PolarHBondContact O-N 2.91Å
116I98.6Very high96.9Very high1 Ų130.4 Ų30.41%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-110.3124.7178.6-59.1172.2000108L47 M61 V62 V63 G64 I78 L118 I133 K134 F135L47-I116 HydrophobicContact CD1-CD1 4.03Å; L47-I116 HydrophobicContact CD1-CG1 3.85Å; L47-I116 HydrophobicContact CD2-CD1 3.96Å; L47-I116 HydrophobicContact CD2-CG1 4.11Å; M61-I116 HydrophobicContact CE-CD1 3.93Å; M61-I116 HydrophobicContact CE-CG1 3.77Å; V62-I116 PolarHBondContact O-N 3.41Å; V63-I116 WeakPolarHBondContact CA-O 3.43Å; G64-I116 PolarHBondContact N-O 2.9Å; G64-I116 VanDerWaalsContact N-O 3.07Å; I78-I116 HydrophobicContact CD1-CB 4.43Å; I78-I116 HydrophobicContact CD1-CD1 4.36Å; I78-I116 HydrophobicContact CD1-CG2 3.74Å; I78-I116 HydrophobicContact CG1-CD1 4.37Å; I78-I116 HydrophobicContact CG2-CD1 3.91Å; I116-L118 HydrophobicContact CG2-CD2 4.23Å; I116-I133 HydrophobicContact CG2-CG2 3.74Å; I116-K134 WeakPolarHBondContact CA-O 3.34Å; I116-F135 HydrophobicContact CG1-CD2 4.35Å
117I98.7Very high96.8Very high0 Ų033.9 Ų33.90%017%0.168CC..EExtended strand (participates in β ladder)trans-116.2117.2-179.9-36.5178.4000108.6G64 T100 V103 T119 K134G64-I117 CarbonylContact O-C 3.52Å; G64-I117 WeakPolarHBondContact O-CA 3.42Å; T100-I117 HydrophobicContact CG2-CD1 4.1Å; V103-I117 HydrophobicContact CB-CD1 3.91Å; V103-I117 HydrophobicContact CB-CG1 4.2Å; V103-I117 HydrophobicContact CG1-CD1 3.82Å; V103-I117 HydrophobicContact CG1-CG1 3.86Å; V103-I117 HydrophobicContact CG2-CD1 4.26Å; V103-I117 HydrophobicContact CG2-CG1 4.15Å; I117-T119 HydrophobicContact CB-CG2 4.27Å; I117-T119 HydrophobicContact CG2-CG2 3.77Å; I117-T119 PolarHBondContact O-N 2.75Å; I117-K134 HydrophobicContact CB-CB 4.08Å; I117-K134 HydrophobicContact CG1-CB 4.48Å; I117-K134 PolarHBondContact N-O 3.26Å; I117-K134 PolarHBondContact O-N 3.36Å
118L98.8Very high96.6Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-8993.6179.8-58.7174.8000108.7G64 S65 D66 S71 A74 I75 I78 I116 F131 G132 I133G64-L118 PolarHBondContact O-N 3.12Å; S65-L118 VanDerWaalsContact CA-O 3.28Å; S65-L118 WeakPolarHBondContact CA-O 3.41Å; S65-L118 WeakPolarHBondContact CB-O 3.33Å; D66-L118 PolarHBondContact N-O 3.5Å; D66-L118 VanDerWaalsContact N-O 3.15Å; S71-L118 WeakPolarHBondContact O-CD1 3.45Å; A74-L118 HydrophobicContact CB-CD1 3.82Å; A74-L118 HydrophobicContact CB-CD2 4.14Å; I75-L118 HydrophobicContact CB-CD1 4.5Å; I75-L118 HydrophobicContact CD1-CD1 4.23Å; I75-L118 HydrophobicContact CG1-CD1 3.41Å; I75-L118 VanDerWaalsContact CG1-CD1 3.41Å; I78-L118 HydrophobicContact CD1-CD1 4.24Å; I78-L118 HydrophobicContact CD1-CD2 3.85Å; I78-L118 HydrophobicContact CD1-CG 4.33Å; I116-L118 HydrophobicContact CG2-CD2 4.23Å; L118-F131 HydrophobicContact CB-CZ 3.94Å; L118-F131 HydrophobicContact CD1-CZ 4.34Å; L118-F131 HydrophobicContact CD2-CE1 4Å; L118-F131 HydrophobicContact CD2-CZ 3.93Å; L118-F131 HydrophobicContact CG-CZ 4.29Å; L118-G132 CarbonylContact C-O 3.51Å; L118-G132 WeakPolarHBondContact CA-O 3.49Å; L118-I133 HydrophobicContact CD2-CG1 3.98Å; L118-I133 HydrophobicContact CD2-CG2 4.44Å
119T98.2Very high96.4Very high0 Ų033.5 Ų33.50%019%0.189CC..  trans-161.6144.2-176.3179.90000111D66 I117 S121 G132 K134 D295D66-T119 WeakPolarHBondContact OD2-CA 3.23Å; D66-T119 WeakPolarHBondContact OD2-CB 3.41Å; D66-T119 PolarHBondContact OD2-OG1 2.96Å; I117-T119 HydrophobicContact CB-CG2 4.27Å; I117-T119 HydrophobicContact CG2-CG2 3.77Å; I117-T119 PolarHBondContact O-N 2.75Å; T119-S121 PolarHBondContact OG1-N 3.18Å; T119-G132 PolarHBondContact N-O 3.16Å; T119-G132 CarbonylContact O-C 3.54Å; T119-G132 VanDerWaalsContact O-C 3.29Å; T119-G132 VanDerWaalsContact O-CA 3.25Å; T119-G132 WeakPolarHBondContact O-CA 3.48Å; T119-K134 HydrophobicContact CG2-CD 3.64Å; T119-K134 HydrophobicContact CG2-CG 4.11Å; T119-D295 HydrophobicContact CG2-CB 4.01Å; T119-D295 WeakPolarHBondContact OG1-CB 3.41Å
120A95.4Very high96.3Very high0 Ų026.3 Ų26.30%016%0.158CC..  trans-108.920.2162.600000112R27 R68 H122 N123 D130R27-A120 HydrophobicContact CG-CB 4.33Å; R27-A120 PolarHBondContact NH1-O 3.14Å; R68-A120 VanDerWaalsContact CZ-N 3.26Å; A120-H122 PolarHBondContact O-N 2.88Å; A120-N123 HydrophobicContact CB-CB 3.77Å; A120-N123 WeakPolarHBondContact O-CB 3.03Å; A120-N123 PolarHBondContact O-N 3.41Å; A120-N123 PolarHBondContact O-OD1 3.4Å; A120-D130 HydrophobicContact CB-CB 4.21Å
121S93.3Very high96.2Very high1 Ų123.7 Ų23.71%0.00715%0.145CC..THydrogen-bonded Turntrans52.3-131.2179.9166.40000110.4R68 T119 N123 D293 A294 D295R68-S121 PolarHBondContact NH2-O 2.79Å; T119-S121 PolarHBondContact OG1-N 3.18Å; S121-N123 PolarHBondContact O-N 3.25Å; S121-D293 PolarHBondContact OG-OD2 2.95Å; S121-A294 WeakPolarHBondContact O-CB 3.34Å; S121-D295 WeakPolarHBondContact CA-OD1 3.31Å; S121-D295 VanDerWaalsContact CB-OD1 3.24Å; S121-D295 WeakPolarHBondContact CB-OD1 3.3Å
122H92.3Very high96.2Very high22 Ų2214.8 Ų14.810%0.10211%0.106CC..THydrogen-bonded Turntrans-55.8-11179.464.9-71.4000116.9A120 P267 E268 R298A120-H122 PolarHBondContact O-N 2.88Å; H122-P267 WeakPolarHBondContact CA-O 3.14Å; H122-E268 HydrophobicContact CB-CB 3.81Å; H122-E268 HydrophobicContact CB-CG 3.73Å; H122-E268 IonicContact CD2-OE1 3.34Å; H122-E268 PolarHBondContact CD2-OE1 2.95Å; H122-E268 IonicContact CD2-OE2 2.61Å; H122-E268 IonicContact CG-OE1 2.7Å; H122-R298 PolarHBondContact ND1-NH1 2.93Å; H122-R298 VanDerWaalsContact ND1-NH1 3.15Å; H122-R298 PolarHBondContact ND1-NH2 3.18Å
123N92.4Very high96.2Very high19 Ų1914.7 Ų14.710%0.10211%0.105CC..SBendtrans-70143176.9-72.278.4000112.1R27 R68 A120 S121 D130R27-N123 PolarHBondContact NH1-OD1 3.16Å; R68-N123 PolarHBondContact NH1-O 3.35Å; R68-N123 PolarHBondContact NH2-O 2.84Å; A120-N123 HydrophobicContact CB-CB 3.77Å; A120-N123 WeakPolarHBondContact O-CB 3.03Å; A120-N123 PolarHBondContact O-N 3.41Å; A120-N123 PolarHBondContact O-OD1 3.4Å; S121-N123 PolarHBondContact O-N 3.25Å; N123-D130 HydrophobicContact CB-CB 3.87Å; N123-D130 WeakPolarHBondContact CB-OD2 3.48Å; N123-D130 PolarHBondContact ND2-OD2 2.87Å
124P94.5Very high96.1Very high48 Ų4812.9 Ų12.931%0.31210%0.096SC..  trans-62.2150.1-178.827.9-35.9000112.7R68 D130R68-P124 PolarHBondContact NH1-O 2.8Å; P124-D130 PolarHBondContact O-N 3.34Å
125G96.1Very high96Very high11 Ų1113.6 Ų13.611%0.11310%0.099CC..  trans-96.6-166.6179.100000113.4G129G125-G129 WeakPolarHBondContact O-CA 3.22Å
126G97.1Very high95.8Very high4 Ų413.7 Ų13.74%0.04110%0.099CC..SBendtrans85175.318000000115.1T30 G128 G129 E260T30-G126 PolarHBondContact OG1-O 3.05Å; G126-G128 VanDerWaalsContact C-N 3.32Å; G126-G128 PolarHBondContact O-N 3.34Å; G126-G129 PolarHBondContact O-N 2.94Å; G126-E260 PolarHBondContact N-O 3.41Å
127P96.1Very high95.6Very high77 Ų7715.2 Ų15.250%0.511%0.108SC..THydrogen-bonded Turntrans-59.5-37.4-179.5-25.333.9000113.9Y69 G129Y69-P127 HydrophobicContact CD1-CB 4.33Å; Y69-P127 HydrophobicContact CD1-CG 4.05Å; Y69-P127 HydrophobicContact CD2-CG 4.06Å; Y69-P127 HydrophobicContact CE1-CB 4.13Å; Y69-P127 HydrophobicContact CE1-CG 3.98Å; Y69-P127 HydrophobicContact CE2-CG 3.97Å; Y69-P127 HydrophobicContact CG-CG 4.12Å; P127-G129 VanDerWaalsContact C-N 3.32Å
128G93.9Very high95.4Very high71 Ų7117.9 Ų17.973%0.73213%0.131SC*.THydrogen-bonded Turntrans-85.4-1174.800000114.6G126G126-G128 VanDerWaalsContact C-N 3.32Å; G126-G128 PolarHBondContact O-N 3.34Å
129G95.1Very high95Very high3 Ų319.4 Ų19.43%0.03114%0.139CC..SBendtrans-87.1-158.5-175.800000113.9K29 T30 G125 G126 P127K29-G129 WeakPolarHBondContact CA-O 3.49Å; K29-G129 WeakPolarHBondContact CD-O 3.27Å; T30-G129 PolarHBondContact N-O 2.65Å; T30-G129 PolarHBondContact OG1-O 3.36Å; G125-G129 WeakPolarHBondContact O-CA 3.22Å; G126-G129 PolarHBondContact O-N 2.94Å; P127-G129 VanDerWaalsContact C-N 3.32Å
130D95.4Very high94.6Very high7 Ų719.4 Ų19.44%0.03714%0.139CC..EExtended strand (participates in β ladder)trans-110.8145.4176.7-57.2-43.1000110.8R28 K29 R68 A120 N123 P124R28-D130 WeakPolarHBondContact O-CA 3.38Å; K29-D130 VanDerWaalsContact CD-OD1 3.3Å; K29-D130 WeakPolarHBondContact CD-OD1 3.33Å; K29-D130 VanDerWaalsContact CE-OD1 3.25Å; K29-D130 WeakPolarHBondContact CE-OD1 3.4Å; K29-D130 IonicContact NZ-OD1 2.87Å; K29-D130 PolarHBondContact NZ-OD1 3.39Å; K29-D130 IonicContact NZ-OD2 2.95Å; R68-D130 PolarHBondContact NH1-O 2.68Å; A120-D130 HydrophobicContact CB-CB 4.21Å; N123-D130 HydrophobicContact CB-CB 3.87Å; N123-D130 WeakPolarHBondContact CB-OD2 3.48Å; N123-D130 PolarHBondContact ND2-OD2 2.87Å; P124-D130 PolarHBondContact O-N 3.34Å
131F97.9Very high94.1Very high0 Ų019.4 Ų19.40%014%0.139CC..EExtended strand (participates in β ladder)trans-121.8151.7172.3-165.4-97.3000109.5R27 R28 T30 F33 R68 Y69 F70 A74 L118 I133R27-F131 WeakPolarHBondContact CA-O 3.37Å; R28-F131 PolarHBondContact N-O 3.06Å; R28-F131 PolarHBondContact O-N 3.44Å; T30-F131 HydrophobicContact CG2-CB 4.31Å; F33-F131 HydrophobicContact CD1-CD1 4.46Å; F33-F131 HydrophobicContact CD2-CB 3.74Å; F33-F131 AromaticContact CD2-CD1 3.82Å; F33-F131 HydrophobicContact CD2-CD1 3.82Å; F33-F131 HydrophobicContact CD2-CG 4.23Å; F33-F131 HydrophobicContact CE2-CB 4.01Å; F33-F131 HydrophobicContact CE2-CD1 4.02Å; F33-F131 WeakPolarHBondContact CE2-O 3.35Å; F33-F131 HydrophobicContact CG-CD1 4.03Å; F33-F131 HydrophobicContact CZ-CD1 4.45Å; R68-F131 HydrophobicContact CG-CD2 3.85Å; R68-F131 HydrophobicContact CG-CE2 3.95Å; Y69-F131 WeakPolarHBondContact O-CD2 3.15Å; Y69-F131 WeakPolarHBondContact O-CE2 3.2Å; F70-F131 HydrophobicContact CB-CD2 4.08Å; F70-F131 HydrophobicContact CB-CE2 4.08Å; F70-F131 AromaticContact CD1-CD1 4Å; F70-F131 HydrophobicContact CD1-CD1 4Å; F70-F131 HydrophobicContact CD1-CD2 4.11Å; F70-F131 AromaticContact CD1-CE1 3.84Å; F70-F131 HydrophobicContact CD1-CE1 3.84Å; F70-F131 AromaticContact CD1-CE2 3.98Å; F70-F131 HydrophobicContact CD1-CE2 3.98Å; F70-F131 HydrophobicContact CD1-CG 4.12Å; F70-F131 AromaticContact CD1-CZ 3.83Å; F70-F131 HydrophobicContact CD1-CZ 3.83Å; F70-F131 HydrophobicContact CE1-CE1 4.29Å; A74-F131 HydrophobicContact CB-CE1 4.06Å; A74-F131 HydrophobicContact CB-CZ 3.73Å; L118-F131 HydrophobicContact CB-CZ 3.94Å; L118-F131 HydrophobicContact CD1-CZ 4.34Å; L118-F131 HydrophobicContact CD2-CE1 4Å; L118-F131 HydrophobicContact CD2-CZ 3.93Å; L118-F131 HydrophobicContact CG-CZ 4.29Å; F131-I133 HydrophobicContact CD1-CG1 4.41Å; F131-I133 HydrophobicContact CE1-CG1 4.03Å
132G96.9Very high93.1Very high0 Ų020 Ų200%015%0.145CC..EExtended strand (participates in β ladder)trans-149151.3-176.900000113.1L26 L118 T119L26-G132 CarbonylContact O-C 3.41Å; L26-G132 WeakPolarHBondContact O-CA 3.18Å; L118-G132 CarbonylContact C-O 3.51Å; L118-G132 WeakPolarHBondContact CA-O 3.49Å; T119-G132 PolarHBondContact N-O 3.16Å; T119-G132 CarbonylContact O-C 3.54Å; T119-G132 VanDerWaalsContact O-C 3.29Å; T119-G132 VanDerWaalsContact O-CA 3.25Å; T119-G132 WeakPolarHBondContact O-CA 3.48Å
133I97.7Very high91.6Very high0 Ų019.2 Ų19.20%014%0.142CC..EExtended strand (participates in β ladder)trans-129106.3179.2-53.7175.9000107.5G25 L26 F33 L40 Y43 I44 I116 L118 F131G25-I133 VanDerWaalsContact CA-O 3.31Å; G25-I133 WeakPolarHBondContact CA-O 3.29Å; L26-I133 PolarHBondContact N-O 3.34Å; L26-I133 PolarHBondContact O-N 2.92Å; F33-I133 HydrophobicContact CD1-CD1 4.17Å; F33-I133 HydrophobicContact CE1-CD1 3.65Å; F33-I133 HydrophobicContact CE1-CG1 4.21Å; F33-I133 HydrophobicContact CZ-CD1 4.36Å; F33-I133 HydrophobicContact CZ-CG1 4.44Å; L40-I133 HydrophobicContact CD1-CD1 3.51Å; Y43-I133 HydrophobicContact CD1-CB 4.2Å; Y43-I133 HydrophobicContact CD1-CD1 3.84Å; Y43-I133 HydrophobicContact CD1-CG2 4.17Å; Y43-I133 HydrophobicContact CE1-CB 3.81Å; Y43-I133 HydrophobicContact CE1-CD1 4.35Å; Y43-I133 HydrophobicContact CE1-CG2 3.79Å; I44-I133 HydrophobicContact CD1-CD1 4.14Å; I44-I133 HydrophobicContact CD1-CG2 4.26Å; I116-I133 HydrophobicContact CG2-CG2 3.74Å; L118-I133 HydrophobicContact CD2-CG1 3.98Å; L118-I133 HydrophobicContact CD2-CG2 4.44Å; F131-I133 HydrophobicContact CD1-CG1 4.41Å; F131-I133 HydrophobicContact CE1-CG1 4.03Å
134K95.4Very high89.9Confident7 Ų720 Ų203%0.0315%0.149CC..EExtended strand (participates in β ladder)trans-90148168.7-63.3178.5175.21780109.5N24 I116 I117 T119 D295 D297N24-K134 WeakPolarHBondContact O-CG 3.37Å; I116-K134 WeakPolarHBondContact CA-O 3.34Å; I117-K134 HydrophobicContact CB-CB 4.08Å; I117-K134 HydrophobicContact CG1-CB 4.48Å; I117-K134 PolarHBondContact N-O 3.26Å; I117-K134 PolarHBondContact O-N 3.36Å; T119-K134 HydrophobicContact CG2-CD 3.64Å; T119-K134 HydrophobicContact CG2-CG 4.11Å; K134-D295 IonicContact NZ-OD2 3.41Å; K134-D295 PolarHBondContact NZ-OD2 2.67Å; K134-D297 IonicContact NZ-OD2 3.89Å
135F94.8Very high88.1Confident15 Ų1519.4 Ų19.47%0.06614%0.144CC..EExtended strand (participates in β ladder)trans-123.7122.9171.9180-128.2000108.5L47 I51 M61 G115 I116 V137 G142 P143 V148 I152L47-F135 HydrophobicContact CD1-CB 3.7Å; L47-F135 HydrophobicContact CD1-CD2 3.74Å; L47-F135 HydrophobicContact CD1-CG 3.79Å; L47-F135 HydrophobicContact CD2-CD2 3.53Å; L47-F135 HydrophobicContact CD2-CE2 3.54Å; L47-F135 HydrophobicContact CD2-CG 4.09Å; L47-F135 HydrophobicContact CD2-CZ 4.07Å; L47-F135 HydrophobicContact CG-CB 4.19Å; L47-F135 HydrophobicContact CG-CD1 4.24Å; L47-F135 HydrophobicContact CG-CD2 3.75Å; L47-F135 HydrophobicContact CG-CE2 4.18Å; L47-F135 HydrophobicContact CG-CG 3.79Å; I51-F135 HydrophobicContact CD1-CZ 4.27Å; I51-F135 HydrophobicContact CG1-CZ 4.29Å; M61-F135 HydrophobicContact CE-CD2 4.49Å; M61-F135 HydrophobicContact CE-CE2 3.84Å; G115-F135 WeakPolarHBondContact O-CA 3.36Å; G115-F135 WeakPolarHBondContact O-CD2 3.35Å; I116-F135 HydrophobicContact CG1-CD2 4.35Å; F135-V137 HydrophobicContact CD1-CG1 4.46Å; F135-V137 HydrophobicContact CE1-CG1 4Å; F135-G142 WeakPolarHBondContact O-CA 3.29Å; F135-P143 WeakPolarHBondContact O-CD 3.43Å; F135-V148 HydrophobicContact CD1-CG1 4.07Å; F135-V148 HydrophobicContact CE1-CG1 3.87Å; F135-I152 HydrophobicContact CD1-CD1 4.03Å
136N94.5Very high86.5Confident2 Ų224 Ų241%0.01117%0.166CC..EExtended strand (participates in β ladder)trans-105.8143.4172.8-72.236.3000109.2I107 G114 G115 G140 E141 G142 E393I107-N136 HydrophobicContact CD1-CB 3.89Å; G114-N136 CarbonylContact C-O 3.49Å; G114-N136 WeakPolarHBondContact CA-O 3.47Å; G115-N136 PolarHBondContact N-O 2.86Å; G115-N136 PolarHBondContact O-N 2.91Å; N136-G140 PolarHBondContact ND2-O 3.44Å; N136-E141 CarbonylContact C-O 3.56Å; N136-E141 WeakPolarHBondContact CA-O 3.36Å; N136-E141 VanDerWaalsContact CB-O 3.28Å; N136-E141 WeakPolarHBondContact CB-O 3.45Å; N136-E141 VanDerWaalsContact ND2-C 3.34Å; N136-G142 PolarHBondContact ND2-N 3.34Å; N136-E393 PolarHBondContact ND2-OE1 2.89Å
137V93.4Very high85.4Confident32 Ų3228.5 Ų28.519%0.19419%0.193CC..EExtended strand (participates in β ladder)trans-95.7-176.8179.3-60.20000111.2I113 F135 N139 G140 E141 P143I113-V137 CarbonylContact O-C 3.59Å; F135-V137 HydrophobicContact CD1-CG1 4.46Å; F135-V137 HydrophobicContact CE1-CG1 4Å; V137-N139 WeakPolarHBondContact CG2-OD1 3.45Å; V137-N139 PolarHBondContact O-N 3.36Å; V137-N139 VanDerWaalsContact O-N 3.11Å; V137-G140 PolarHBondContact O-N 3.21Å; V137-E141 PolarHBondContact N-O 3.44Å; V137-P143 HydrophobicContact CG1-CB 3.85Å; V137-P143 HydrophobicContact CG1-CG 4.49Å
138A94.3Very high84.7Confident56 Ų5626.5 Ų26.546%0.46318%0.18SC..THydrogen-bonded Turntrans-58.9-26.1-169.400000115.4I113 G140I113-A138 WeakPolarHBondContact O-CA 3.38Å; I113-A138 PolarHBondContact O-N 3.07Å; A138-G140 PolarHBondContact O-N 2.88Å
139N91.4Very high84.2Confident32 Ų3224 Ų2417%0.17115%0.149CC..THydrogen-bonded Turntrans-73.9-11.3175.874.6-15.2000112.8R108 V137 E141 D372 R392R108-N139 VanDerWaalsContact CD-O 3.26Å; R108-N139 WeakPolarHBondContact CD-O 3.48Å; R108-N139 WeakPolarHBondContact CG-O 3.3Å; R108-N139 PolarHBondContact NH1-O 2.8Å; V137-N139 WeakPolarHBondContact CG2-OD1 3.45Å; V137-N139 PolarHBondContact O-N 3.36Å; V137-N139 VanDerWaalsContact O-N 3.11Å; N139-E141 WeakPolarHBondContact OD1-CB 3.41Å; N139-E141 PolarHBondContact OD1-N 2.84Å; N139-D372 PolarHBondContact ND2-OD2 3.45Å; N139-R392 WeakPolarHBondContact O-CG 3.25Å
140G89Confident83.7Confident0 Ų026.2 Ų26.20%016%0.159CC..SBendtrans96.51.5-17900000114.7S104 N136 V137 A138S104-G140 VanDerWaalsContact CB-O 3.23Å; S104-G140 WeakPolarHBondContact CB-O 3.23Å; S104-G140 PolarHBondContact OG-O 3.01Å; N136-G140 PolarHBondContact ND2-O 3.44Å; V137-G140 PolarHBondContact O-N 3.21Å; A138-G140 PolarHBondContact O-N 2.88Å
141E84.9Confident83.5Confident1 Ų130.1 Ų30.11%0.00517%0.173CC..SBendtrans-103.4163.8177.4-162163.2-14600111.7N136 V137 N139 W364 R365 G368 R392N136-E141 CarbonylContact C-O 3.56Å; N136-E141 WeakPolarHBondContact CA-O 3.36Å; N136-E141 VanDerWaalsContact CB-O 3.28Å; N136-E141 WeakPolarHBondContact CB-O 3.45Å; N136-E141 VanDerWaalsContact ND2-C 3.34Å; V137-E141 PolarHBondContact N-O 3.44Å; N139-E141 WeakPolarHBondContact OD1-CB 3.41Å; N139-E141 PolarHBondContact OD1-N 2.84Å; E141-W364 VanDerWaalsContact OE1-CD1 3.25Å; E141-R365 VanDerWaalsContact CD-CA 3.5Å; E141-R365 WeakPolarHBondContact OE1-CA 3.3Å; E141-R365 PolarHBondContact OE1-N 3.41Å; E141-G368 PolarHBondContact OE1-N 2.99Å; E141-G368 VanDerWaalsContact OE2-CA 3.22Å; E141-G368 WeakPolarHBondContact OE2-CA 3.45Å; E141-R392 HydrophobicContact CB-CB 3.58Å; E141-R392 HydrophobicContact CB-CG 4.48Å; E141-R392 WeakPolarHBondContact CB-O 3.26Å; E141-R392 HydrophobicContact CG-CB 4.21Å; E141-R392 WeakPolarHBondContact CG-O 3.47Å
142G72.3Confident83.2Confident14 Ų1430.2 Ų30.214%0.14417%0.173CC..SBendtrans-50.8150.1154.900000112.6F135 N136 S144F135-G142 WeakPolarHBondContact O-CA 3.29Å; N136-G142 PolarHBondContact ND2-N 3.34Å; G142-S144 PolarHBondContact O-N 3.09Å
143P60.3Low83Confident5 Ų530.2 Ų30.23%0.03217%0.173CC..PPolyproline II helixtrans-58.5133-177.820.6-31.1000112.2F135 V137 T145 V148 M149F135-P143 WeakPolarHBondContact O-CD 3.43Å; V137-P143 HydrophobicContact CG1-CB 3.85Å; V137-P143 HydrophobicContact CG1-CG 4.49Å; P143-T145 VanDerWaalsContact C-N 3.29Å; P143-T145 PolarHBondContact O-N 2.91Å; P143-V148 HydrophobicContact CB-CB 3.66Å; P143-V148 HydrophobicContact CB-CG1 4.03Å; P143-V148 HydrophobicContact CB-CG2 4.1Å; P143-V148 HydrophobicContact CG-CB 4.18Å; P143-V148 HydrophobicContact CG-CG1 4.15Å; P143-M149 HydrophobicContact CG-CE 3.81Å; P143-M149 HydrophobicContact CG-CG 3.83Å
144S57.8Low82.8Confident36 Ų3635.4 Ų35.425%0.25220%0.198SC..SBendtrans-77.8-5.3-176.258.30000114.9G142G142-S144 PolarHBondContact O-N 3.09Å
145T56.5Low82.8Confident34 Ų3436.6 Ų36.621%0.20921%0.205CC..SBendtrans-129.4155.6-176.355.30000113.7P143 T147P143-T145 VanDerWaalsContact C-N 3.29Å; P143-T145 PolarHBondContact O-N 2.91Å; T145-T147 PolarHBondContact O-N 3.2Å; T145-T147 VanDerWaalsContact O-N 3.15Å; T145-T147 VanDerWaalsContact OG1-CB 3.28Å; T145-T147 WeakPolarHBondContact OG1-CB 3.44Å; T145-T147 PolarHBondContact OG1-N 3.27Å; T145-T147 PolarHBondContact OG1-OG1 3.19Å
146D60.9Low82.8Confident107 Ų10735.9 Ų35.957%0.57220%0.202SC*.Hα-helixtrans-49.9-28.8157-75.8-32.6000110.2V148 M149 E150D146-V148 PolarHBondContact O-N 3.44Å; D146-M149 PolarHBondContact O-N 2.84Å; D146-E150 VanDerWaalsContact O-CA 3.27Å; D146-E150 WeakPolarHBondContact O-CA 3.46Å; D146-E150 WeakPolarHBondContact O-CB 3.46Å; D146-E150 PolarHBondContact O-N 2.89Å
147T74.1Confident82.9Confident100 Ų10041.2 Ų41.261%0.61322%0.222SC*.Hα-helixtrans-56.6-51.2-173.2-42.30000114.2T145 R151T145-T147 PolarHBondContact O-N 3.2Å; T145-T147 VanDerWaalsContact O-N 3.15Å; T145-T147 VanDerWaalsContact OG1-CB 3.28Å; T145-T147 WeakPolarHBondContact OG1-CB 3.44Å; T145-T147 PolarHBondContact OG1-N 3.27Å; T145-T147 PolarHBondContact OG1-OG1 3.19Å; T147-R151 WeakPolarHBondContact O-CB 3.39Å; T147-R151 PolarHBondContact O-N 3.02Å
148V83.1Confident83.1Confident35 Ų3544.5 Ų44.521%0.21224%0.242CC..Hα-helixtrans-74.1-45.2179.6177.80000110.5F135 P143 D146 E150 R151 I152F135-V148 HydrophobicContact CD1-CG1 4.07Å; F135-V148 HydrophobicContact CE1-CG1 3.87Å; P143-V148 HydrophobicContact CB-CB 3.66Å; P143-V148 HydrophobicContact CB-CG1 4.03Å; P143-V148 HydrophobicContact CB-CG2 4.1Å; P143-V148 HydrophobicContact CG-CB 4.18Å; P143-V148 HydrophobicContact CG-CG1 4.15Å; D146-V148 PolarHBondContact O-N 3.44Å; V148-E150 PolarHBondContact O-N 3.4Å; V148-R151 PolarHBondContact O-N 3.19Å; V148-I152 HydrophobicContact CG1-CD1 4.07Å; V148-I152 VanDerWaalsContact O-CG1 3.26Å; V148-I152 WeakPolarHBondContact O-CG1 3.46Å; V148-I152 PolarHBondContact O-N 3.48Å
149M83Confident83.3Confident19 Ų1942.5 Ų42.59%0.09422%0.224CC..Hα-helixtrans-63.3-41.3-179.5-69.4-168.518000112.5P21 P143 D146 I152 S153P21-M149 HydrophobicContact CG-CB 3.98Å; P21-M149 HydrophobicContact CG-CG 4.18Å; P143-M149 HydrophobicContact CG-CE 3.81Å; P143-M149 HydrophobicContact CG-CG 3.83Å; D146-M149 PolarHBondContact O-N 2.84Å; M149-I152 PolarHBondContact O-N 2.94Å; M149-S153 WeakPolarHBondContact O-CB 3.16Å; M149-S153 PolarHBondContact O-N 2.81Å
150E85.3Confident83.6Confident49 Ų4947.9 Ų47.923%0.22925%0.248CC..Hα-helixtrans-70.1-40.5175.2-171.960.8-151.600110.2R20 D146 V148 I152 S153 Q154R20-E150 IonicContact CZ-OE2 2.82Å; R20-E150 IonicContact NH2-OE2 2.78Å; R20-E150 PolarHBondContact NH2-OE2 2.75Å; D146-E150 VanDerWaalsContact O-CA 3.27Å; D146-E150 WeakPolarHBondContact O-CA 3.46Å; D146-E150 WeakPolarHBondContact O-CB 3.46Å; D146-E150 PolarHBondContact O-N 2.89Å; V148-E150 PolarHBondContact O-N 3.4Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.18Å; E150-S153 CarbonylContact O-C 3.53Å; E150-S153 PolarHBondContact O-N 2.85Å; E150-S153 VanDerWaalsContact O-N 3.14Å; E150-Q154 HydrophobicContact CG-CG 4.21Å; E150-Q154 VanDerWaalsContact O-CB 3.31Å; E150-Q154 WeakPolarHBondContact O-CB 3.37Å; E150-Q154 WeakPolarHBondContact O-CG 3.11Å; E150-Q154 PolarHBondContact O-N 3.36Å; E150-Q154 PolarHBondContact OE1-NE2 3.33Å
151R90.4Very high84.1Confident89 Ų8952.5 Ų52.534%0.33627%0.27SS..Hα-helixtrans-60-44172.4-174.5174-176.9176.43.1111.2S50 D52 T147 V148 S153 Q154 V155S50-R151 VanDerWaalsContact O-CZ 3.31Å; S50-R151 PolarHBondContact O-NE 3.1Å; S50-R151 PolarHBondContact O-NH1 2.99Å; S50-R151 VanDerWaalsContact O-NH1 3.11Å; D52-R151 IonicContact OD1-CZ 3.79Å; D52-R151 VanDerWaalsContact OD1-CZ 3.28Å; D52-R151 IonicContact OD1-NH1 3.63Å; D52-R151 PolarHBondContact OD1-NH1 2.91Å; D52-R151 IonicContact OD1-NH2 2.87Å; D52-R151 PolarHBondContact OD1-NH2 3.25Å; T147-R151 WeakPolarHBondContact O-CB 3.39Å; T147-R151 PolarHBondContact O-N 3.02Å; V148-R151 PolarHBondContact O-N 3.19Å; R151-S153 VanDerWaalsContact C-N 3.35Å; R151-Q154 PolarHBondContact O-N 2.9Å; R151-V155 WeakPolarHBondContact O-CB 3.45Å; R151-V155 VanDerWaalsContact O-CG2 3.24Å; R151-V155 WeakPolarHBondContact O-CG2 3.37Å; R151-V155 PolarHBondContact O-N 2.93Å
152I92.4Very high84.7Confident2 Ų253.2 Ų53.21%0.0127%0.273CS..Hα-helixtrans-58.6-48.7173-67.2170.7000109.9P21 Y43 L47 F135 V148 M149 E150 Q154 V155 S156P21-I152 HydrophobicContact CG-CG2 4.48Å; Y43-I152 HydrophobicContact CD2-CG2 4.33Å; Y43-I152 HydrophobicContact CE2-CG2 3.69Å; L47-I152 HydrophobicContact CG-CD1 4.43Å; F135-I152 HydrophobicContact CD1-CD1 4.03Å; V148-I152 HydrophobicContact CG1-CD1 4.07Å; V148-I152 VanDerWaalsContact O-CG1 3.26Å; V148-I152 WeakPolarHBondContact O-CG1 3.46Å; V148-I152 PolarHBondContact O-N 3.48Å; M149-I152 PolarHBondContact O-N 2.94Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.18Å; I152-Q154 PolarHBondContact O-N 3.02Å; I152-V155 PolarHBondContact O-N 2.94Å; I152-S156 WeakPolarHBondContact O-CB 3.49Å; I152-S156 PolarHBondContact O-N 2.59Å; I152-S156 PolarHBondContact O-OG 3.37Å
153S91.3Very high86Confident0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-66.2-33.4-179.3-170.60000113.7M149 E150 R151 S156 R157M149-S153 WeakPolarHBondContact O-CB 3.16Å; M149-S153 PolarHBondContact O-N 2.81Å; E150-S153 CarbonylContact O-C 3.53Å; E150-S153 PolarHBondContact O-N 2.85Å; E150-S153 VanDerWaalsContact O-N 3.14Å; R151-S153 VanDerWaalsContact C-N 3.35Å; S153-S156 PolarHBondContact O-OG 3.49Å; S153-R157 WeakPolarHBondContact O-CD 3.38Å; S153-R157 WeakPolarHBondContact O-CG 3.46Å; S153-R157 PolarHBondContact O-N 2.9Å
154Q93.1Very high87.8Confident108 Ų10853.9 Ų53.951%0.50528%0.275SS..Hα-helixtrans-70.3-49.4177.2-77173.9-2.400109.4E150 R151 I152 S156 R157 T158E150-Q154 HydrophobicContact CG-CG 4.21Å; E150-Q154 VanDerWaalsContact O-CB 3.31Å; E150-Q154 WeakPolarHBondContact O-CB 3.37Å; E150-Q154 WeakPolarHBondContact O-CG 3.11Å; E150-Q154 PolarHBondContact O-N 3.36Å; E150-Q154 PolarHBondContact OE1-NE2 3.33Å; R151-Q154 PolarHBondContact O-N 2.9Å; I152-Q154 PolarHBondContact O-N 3.02Å; Q154-S156 VanDerWaalsContact C-N 3.31Å; Q154-S156 PolarHBondContact O-N 2.73Å; Q154-R157 PolarHBondContact O-N 2.85Å; Q154-T158 PolarHBondContact O-N 3.45Å; Q154-T158 PolarHBondContact O-OG1 3.05Å
155V95.6Very high89.7Confident32 Ų3252.2 Ų52.219%0.19426%0.263CS..Hα-helixtrans-60-42.6176.5176.40000110.7R151 I152 R157 T158 L159R151-V155 WeakPolarHBondContact O-CB 3.45Å; R151-V155 VanDerWaalsContact O-CG2 3.24Å; R151-V155 WeakPolarHBondContact O-CG2 3.37Å; R151-V155 PolarHBondContact O-N 2.93Å; I152-V155 PolarHBondContact O-N 2.94Å; V155-R157 PolarHBondContact O-N 2.8Å; V155-T158 CarbonylContact O-C 3.52Å; V155-T158 PolarHBondContact O-N 3.1Å; V155-L159 HydrophobicContact CG1-CD1 4.01Å; V155-L159 WeakPolarHBondContact O-CB 3.26Å; V155-L159 PolarHBondContact O-N 3Å
156S95.9Very high91.7Very high0 Ų052.8 Ų52.80%027%0.268CS..Hα-helixtrans-64.6-29-178.575.10000113.7P15 F16 S46 I152 S153 Q154P15-S156 VanDerWaalsContact CB-O 3.26Å; P15-S156 WeakPolarHBondContact CB-O 3.47Å; F16-S156 PolarHBondContact N-O 2.74Å; S46-S156 WeakPolarHBondContact OG-CA 3.45Å; S46-S156 WeakPolarHBondContact OG-CB 3.48Å; S46-S156 PolarHBondContact OG-N 3.15Å; I152-S156 WeakPolarHBondContact O-CB 3.49Å; I152-S156 PolarHBondContact O-N 2.59Å; I152-S156 PolarHBondContact O-OG 3.37Å; S153-S156 PolarHBondContact O-OG 3.49Å; Q154-S156 VanDerWaalsContact C-N 3.31Å; Q154-S156 PolarHBondContact O-N 2.73Å
157R95.9Very high93.4Very high114 Ų11452.5 Ų52.543%0.4327%0.266SS..Hα-helixtrans-81.4-16179.8-76.1172.9177.2177.3-2.5113.7P15 S153 Q154 V155P15-R157 WeakPolarHBondContact CB-O 3.46Å; P15-R157 WeakPolarHBondContact CG-O 3.42Å; S153-R157 WeakPolarHBondContact O-CD 3.38Å; S153-R157 WeakPolarHBondContact O-CG 3.46Å; S153-R157 PolarHBondContact O-N 2.9Å; Q154-R157 PolarHBondContact O-N 2.85Å; V155-R157 PolarHBondContact O-N 2.8Å
158T97.3Very high94.5Very high101 Ų10147.8 Ų47.862%0.6224%0.237SC*.SBendtrans-125.214.5-177.667.20000112.4Q154 V155 E160Q154-T158 PolarHBondContact O-N 3.45Å; Q154-T158 PolarHBondContact O-OG1 3.05Å; V155-T158 CarbonylContact O-C 3.52Å; V155-T158 PolarHBondContact O-N 3.1Å; T158-E160 PolarHBondContact O-N 3.17Å
159L98.1Very high95.2Very high15 Ų1552.8 Ų52.88%0.07925%0.252CS..  trans-74.9121.5-176.1-166.175.7000110.8T13 P15 N42 Q45 V155 E161T13-L159 HydrophobicContact CG2-CD2 4.07Å; T13-L159 HydrophobicContact CG2-CG 4.19Å; P15-L159 WeakPolarHBondContact CD-O 3.35Å; N42-L159 HydrophobicContact CB-CD2 3.83Å; Q45-L159 HydrophobicContact CB-CD1 4.5Å; Q45-L159 HydrophobicContact CB-CD2 3.95Å; Q45-L159 HydrophobicContact CG-CD1 3.81Å; Q45-L159 HydrophobicContact CG-CD2 4.07Å; V155-L159 HydrophobicContact CG1-CD1 4.01Å; V155-L159 WeakPolarHBondContact O-CB 3.26Å; V155-L159 PolarHBondContact O-N 3Å; L159-E161 WeakPolarHBondContact CD1-O 3.18Å; L159-E161 WeakPolarHBondContact CG-O 3.14Å
160E98.4Very high95.8Very high144 Ų14453.2 Ų53.267%0.67325%0.254SS*.  trans-105.4-23.9179.4-64.3-179.8170.200112.6T13 T158T13-E160 PolarHBondContact N-O 2.8Å; T13-E160 VanDerWaalsContact O-O 3.09Å; T158-E160 PolarHBondContact O-N 3.17Å
161E98.5Very high96.4Very high98 Ų9854 Ų5446%0.45826%0.26SS..EExtended strand (participates in β ladder)trans-150.9160.4178.761.2179.9-14800112.6T10 V11 Q12 L159T10-E161 HydrophobicContact CG2-CB 3.88Å; T10-E161 HydrophobicContact CG2-CG 4.09Å; T10-E161 WeakPolarHBondContact CG2-OE2 3.41Å; V11-E161 CarbonylContact O-C 3.55Å; V11-E161 VanDerWaalsContact O-CA 3.24Å; V11-E161 WeakPolarHBondContact O-CA 3.44Å; Q12-E161 PolarHBondContact NE2-OE2 2.84Å; L159-E161 WeakPolarHBondContact CD1-O 3.18Å; L159-E161 WeakPolarHBondContact CG-O 3.14Å
162Y98.8Very high96.8Very high16 Ų1650.3 Ų50.36%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-137.3156.117064.9-97.2000111.5T10 V11 T13 N38 Q41 M81 I164T10-Y162 WeakPolarHBondContact CA-O 3.45Å; V11-Y162 HydrophobicContact CB-CD1 4.35Å; V11-Y162 HydrophobicContact CB-CD2 4.17Å; V11-Y162 HydrophobicContact CB-CE1 3.9Å; V11-Y162 HydrophobicContact CB-CE2 3.69Å; V11-Y162 HydrophobicContact CB-CG 4.49Å; V11-Y162 HydrophobicContact CG1-CE1 3.85Å; V11-Y162 HydrophobicContact CG1-CE2 4.26Å; V11-Y162 WeakPolarHBondContact CG1-OH 3.49Å; V11-Y162 HydrophobicContact CG2-CE2 3.86Å; V11-Y162 PolarHBondContact N-O 2.98Å; V11-Y162 PolarHBondContact O-N 3.07Å; T13-Y162 HydrophobicContact CG2-CD1 4.08Å; N38-Y162 HydrophobicContact CB-CE1 4.15Å; N38-Y162 PolarHBondContact OD1-OH 2.94Å; Q41-Y162 HydrophobicContact CB-CD1 4.09Å; Q41-Y162 HydrophobicContact CB-CD2 4.16Å; Q41-Y162 HydrophobicContact CB-CE1 3.79Å; Q41-Y162 HydrophobicContact CB-CE2 3.87Å; Q41-Y162 HydrophobicContact CB-CG 4.26Å; Q41-Y162 HydrophobicContact CG-CE1 4.43Å; Q41-Y162 HydrophobicContact CG-CE2 3.9Å; M81-Y162 HydrophobicContact CE-CD2 3.74Å; M81-Y162 HydrophobicContact CE-CG 3.99Å; Y162-I164 HydrophobicContact CD2-CB 4.26Å; Y162-I164 HydrophobicContact CD2-CG2 4.36Å; Y162-I164 HydrophobicContact CE2-CB 4.18Å; Y162-I164 HydrophobicContact CE2-CD1 4.47Å; Y162-I164 HydrophobicContact CE2-CG2 3.95Å
163A98.6Very high97Very high19 Ų1953.1 Ų53.116%0.15727%0.267CS..EExtended strand (participates in β ladder)trans-104.2137.6177.100000111V8 V9 Q45 A84V8-A163 HydrophobicContact CG1-CB 4.43Å; V9-A163 WeakPolarHBondContact O-CA 3.44Å; Q45-A163 VanDerWaalsContact OE1-N 3.14Å; A84-A163 VanDerWaalsContact CB-C 3.47Å; A84-A163 HydrophobicContact CB-CB 3.86Å
164I98.7Very high97.3Very high14 Ų1461.9 Ų61.97%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-149148.4-179-166166.9000111.6V9 V11 Q80 M81 Y162 P166V9-I164 PolarHBondContact N-O 2.93Å; V9-I164 PolarHBondContact O-N 3.48Å; V11-I164 HydrophobicContact CG2-CG2 4.02Å; Q80-I164 HydrophobicContact CB-CD1 4.16Å; Q80-I164 HydrophobicContact CB-CG1 3.62Å; M81-I164 HydrophobicContact CG-CB 4.14Å; M81-I164 HydrophobicContact CG-CD1 3.9Å; M81-I164 HydrophobicContact CG-CG1 3.81Å; Y162-I164 HydrophobicContact CD2-CB 4.26Å; Y162-I164 HydrophobicContact CD2-CG2 4.36Å; Y162-I164 HydrophobicContact CE2-CB 4.18Å; Y162-I164 HydrophobicContact CE2-CD1 4.47Å; Y162-I164 HydrophobicContact CE2-CG2 3.95Å; I164-P166 VanDerWaalsContact O-CD 3.23Å; I164-P166 WeakPolarHBondContact O-CD 3.26Å
165C98.5Very high97.5Very high0 Ų061 Ų610%030%0.302CS..  trans-101.184.2169.3-63.40000109.8I6 Q80 D167 L168I6-C165 HydrophobicContact CG2-CB 3.79Å; Q80-C165 WeakPolarHBondContact CB-O 3.32Å; Q80-C165 VanDerWaalsContact CG-O 3.23Å; Q80-C165 WeakPolarHBondContact CG-O 3.34Å; Q80-C165 PolarHBondContact O-N 2.99Å; Q80-C165 VanDerWaalsContact O-N 3.13Å; C165-D167 PolarHBondContact O-N 3.09Å; C165-D167 VanDerWaalsContact O-N 3.16Å; C165-L168 HydrophobicContact CB-CB 4.03Å; C165-L168 HydrophobicContact CB-CD1 4.46Å; C165-L168 WeakPolarHBondContact O-CB 3.27Å; C165-L168 PolarHBondContact O-N 3.43Å; C165-L168 VanDerWaalsContact O-N 3.15Å
166P97.1Very high97.6Very high47 Ų4761.1 Ų61.131%0.30531%0.31SS..THydrogen-bonded Turntrans-67.1-20.4-167.229-36.5000114V9 I164 R169V9-P166 HydrophobicContact CB-CG 4.46Å; V9-P166 HydrophobicContact CG2-CG 3.89Å; I164-P166 VanDerWaalsContact O-CD 3.23Å; I164-P166 WeakPolarHBondContact O-CD 3.26Å; P166-R169 PolarHBondContact O-NH1 3.07Å; P166-R169 PolarHBondContact O-NH2 2.81Å
167D97Very high97.7Very high101 Ų10167 Ų6754%0.5433%0.332SS..THydrogen-bonded Turntrans-90.8-8.2-179-58.1-38.2000112.9P7 C165 R169P7-D167 WeakPolarHBondContact CG-OD2 3.23Å; C165-D167 PolarHBondContact O-N 3.09Å; C165-D167 VanDerWaalsContact O-N 3.16Å; D167-R169 PolarHBondContact O-N 3Å
168L97.5Very high97.8Very high1 Ų163.6 Ų63.61%0.00532%0.321CS..  trans-70.9126.2178-169.1161.1000109.7I6 V79 Q80 A83 C165 F180 L182 F189I6-L168 HydrophobicContact CD1-CB 4.32Å; I6-L168 HydrophobicContact CD1-CD1 4.48Å; I6-L168 HydrophobicContact CD1-CG 4.3Å; I6-L168 HydrophobicContact CG2-CB 4.32Å; V79-L168 HydrophobicContact CB-CD2 4.39Å; V79-L168 HydrophobicContact CG1-CD1 4.45Å; V79-L168 HydrophobicContact CG1-CD2 3.49Å; V79-L168 VanDerWaalsContact CG1-CD2 3.49Å; Q80-L168 HydrophobicContact CG-CB 4.15Å; Q80-L168 PolarHBondContact NE2-O 2.81Å; A83-L168 HydrophobicContact CB-CD1 3.88Å; C165-L168 HydrophobicContact CB-CB 4.03Å; C165-L168 HydrophobicContact CB-CD1 4.46Å; C165-L168 WeakPolarHBondContact O-CB 3.27Å; C165-L168 PolarHBondContact O-N 3.43Å; C165-L168 VanDerWaalsContact O-N 3.15Å; L168-F180 HydrophobicContact CD1-CB 4.25Å; L168-F180 HydrophobicContact CD1-CD1 4.28Å; L168-F180 HydrophobicContact CD1-CD2 4.38Å; L168-F180 HydrophobicContact CD1-CG 4.04Å; L168-F180 HydrophobicContact CD2-CE1 4.29Å; L168-F180 HydrophobicContact CD2-CZ 4.3Å; L168-F180 HydrophobicContact CG-CD1 3.98Å; L168-F180 HydrophobicContact CG-CE1 4.15Å; L168-F180 HydrophobicContact CG-CG 4.24Å; L168-L182 HydrophobicContact CD1-CD2 4.4Å; L168-F189 HydrophobicContact CD1-CD1 3.99Å; L168-F189 HydrophobicContact CD1-CE1 4.11Å
169R96.9Very high97.8Very high139 Ų13963.4 Ų63.453%0.52531%0.313SS..  trans-119.9141.3174.2-61.5-66.8174.7-85.9-2.9109.7E76 P166 D167 F180E76-R169 WeakPolarHBondContact OE1-CD 3.29Å; E76-R169 IonicContact OE1-NE 3.82Å; E76-R169 IonicContact OE1-NH1 3.63Å; P166-R169 PolarHBondContact O-NH1 3.07Å; P166-R169 PolarHBondContact O-NH2 2.81Å; D167-R169 PolarHBondContact O-N 3Å; R169-F180 WeakPolarHBondContact O-CE1 2.93Å; R169-F180 WeakPolarHBondContact O-CZ 3.27Å
170I96.5Very high97.8Very high28 Ų2864 Ų6414%0.14432%0.315CS..  trans-123.1133.8-178.8-174.475.9000110V79 L172 Q178 F180 V191 I193V79-I170 HydrophobicContact CG2-CG2 4.26Å; I170-L172 HydrophobicContact CG1-CD2 3.89Å; I170-L172 HydrophobicContact CG2-CD2 4.17Å; I170-L172 HydrophobicContact CG2-CG 4.47Å; I170-Q178 HydrophobicContact CD1-CB 4.34Å; I170-Q178 VanDerWaalsContact CD1-OE1 3.32Å; I170-F180 HydrophobicContact CD1-CE2 4.12Å; I170-F180 HydrophobicContact CD1-CZ 4.05Å; I170-V191 HydrophobicContact CD1-CB 3.58Å; I170-V191 HydrophobicContact CD1-CG1 3.45Å; I170-V191 VanDerWaalsContact CD1-CG1 3.45Å; I170-V191 HydrophobicContact CD1-CG2 3.85Å; I170-V191 HydrophobicContact CG1-CG1 4.26Å; I170-I193 HydrophobicContact CG1-CD1 4.49Å
171D97.9Very high97.7Very high65 Ų6561.2 Ų61.235%0.34830%0.304SS..  trans-94.5107.7169.4-179.27.8000109.8S173 R174 Q178D171-S173 VanDerWaalsContact C-N 3.3Å; D171-S173 VanDerWaalsContact OD1-CB 3.28Å; D171-S173 WeakPolarHBondContact OD1-CB 3.46Å; D171-S173 PolarHBondContact OD1-N 2.9Å; D171-S173 PolarHBondContact OD1-OG 3.06Å; D171-S173 PolarHBondContact OD2-OG 2.88Å; D171-R174 WeakPolarHBondContact OD2-CD 3.4Å; D171-R174 IonicContact OD2-NE 3.84Å; D171-Q178 PolarHBondContact O-NE2 3.02Å
172L98.1Very high97.5Very high12 Ų1257 Ų576%0.06329%0.285CS..THydrogen-bonded Turntrans-80.3-9.5178.3-57.5179.5000113.1I75 I92 N95 I170 I193I75-L172 HydrophobicContact CB-CD1 4.35Å; I75-L172 HydrophobicContact CD1-CD1 4.16Å; I75-L172 HydrophobicContact CG2-CD1 3.98Å; I75-L172 HydrophobicContact CG2-CD2 3.98Å; I92-L172 HydrophobicContact CD1-CD2 4.48Å; I92-L172 HydrophobicContact CG2-CD2 4.09Å; N95-L172 WeakPolarHBondContact CA-O 3.42Å; N95-L172 PolarHBondContact N-O 3.39Å; I170-L172 HydrophobicContact CG1-CD2 3.89Å; I170-L172 HydrophobicContact CG2-CD2 4.17Å; I170-L172 HydrophobicContact CG2-CG 4.47Å; L172-I193 HydrophobicContact CD2-CD1 3.89Å
173S97.9Very high97.2Very high62 Ų6260.3 Ų60.343%0.43430%0.301SS..THydrogen-bonded Turntrans-84.6-9.8-169.8730000114.6L94 D171L94-S173 WeakPolarHBondContact CD1-O 3.17Å; D171-S173 VanDerWaalsContact C-N 3.3Å; D171-S173 VanDerWaalsContact OD1-CB 3.28Å; D171-S173 WeakPolarHBondContact OD1-CB 3.46Å; D171-S173 PolarHBondContact OD1-N 2.9Å; D171-S173 PolarHBondContact OD1-OG 3.06Å; D171-S173 PolarHBondContact OD2-OG 2.88Å
174R96.5Very high96.6Very high183 Ų18366.9 Ų66.969%0.69133%0.334SS*.SBendtrans-125.2123-174.5-64.9-179.6178.4-169.7-0.3111.1D171 I193D171-R174 WeakPolarHBondContact OD2-CD 3.4Å; D171-R174 IonicContact OD2-NE 3.84Å; R174-I193 VanDerWaalsContact O-CB 3.25Å; R174-I193 WeakPolarHBondContact O-CB 3.45Å; R174-I193 WeakPolarHBondContact O-CG2 3.32Å
175V98Very high96.1Very high90 Ų9069.5 Ų69.555%0.54535%0.345SS..  trans-60.9136.7170176.90000109.2L94 I193L94-V175 HydrophobicContact CD1-CG2 3.88Å; L94-V175 HydrophobicContact CD2-CG2 4.21Å; L94-V175 HydrophobicContact CG-CG2 4.43Å; V175-I193 WeakPolarHBondContact CA-O 3.43Å; V175-I193 WeakPolarHBondContact CG1-O 3.49Å
176G97.7Very high95.5Very high34 Ų3479.3 Ų79.335%0.35139%0.388SS..EExtended strand (participates in β ladder)trans142.4-173.8177.600000113.7I193G176-I193 PolarHBondContact N-O 3.06Å; G176-I193 PolarHBondContact O-N 3.17Å
177R98.1Very high95.2Very high123 Ų12385 Ų8546%0.46441%0.408SS..EExtended strand (participates in β ladder)trans-100133.3-178.1-179.4174.7168.6-177.1-6.8110.2E179 R190 V191R177-E179 HydrophobicContact CG-CG 4.14Å; R177-E179 VanDerWaalsContact CZ-CD 3.45Å; R177-E179 IonicContact CZ-OE1 2.83Å; R177-E179 IonicContact CZ-OE2 3.67Å; R177-E179 VanDerWaalsContact NE-CD 3.26Å; R177-E179 IonicContact NE-OE1 3.36Å; R177-E179 PolarHBondContact NE-OE1 3.13Å; R177-E179 IonicContact NE-OE2 3.71Å; R177-E179 IonicContact NH1-OE1 3.8Å; R177-E179 IonicContact NH2-OE1 2.74Å; R177-E179 PolarHBondContact NH2-OE1 2.66Å; R177-E179 IonicContact NH2-OE2 2.8Å; R177-E179 PolarHBondContact NH2-OE2 3.44Å; R177-R190 HydrophobicContact CG-CG 3.8Å; R177-R190 VanDerWaalsContact CZ-NH2 3.28Å; R177-R190 VanDerWaalsContact NH2-CZ 3.35Å; R177-V191 WeakPolarHBondContact CA-O 3.24Å
178Q98Very high95.1Very high43 Ų4382.5 Ų82.520%0.20140%0.397CS..EExtended strand (participates in β ladder)trans-121.3131.1171.6-65.1173.259.300107.9I170 D171 F180 V191I170-Q178 HydrophobicContact CD1-CB 4.34Å; I170-Q178 VanDerWaalsContact CD1-OE1 3.32Å; D171-Q178 PolarHBondContact O-NE2 3.02Å; Q178-F180 HydrophobicContact CB-CE2 3.76Å; Q178-F180 HydrophobicContact CB-CZ 3.92Å; Q178-V191 PolarHBondContact N-O 3.14Å; Q178-V191 PolarHBondContact O-N 2.9Å
179E97.3Very high95.1Very high98 Ų9882.6 Ų82.646%0.45840%0.397SS..EExtended strand (participates in β ladder)trans-120.9141.5-177.8-68.3-175.6-130.100110.6R177 P188 F189 R190R177-E179 HydrophobicContact CG-CG 4.14Å; R177-E179 VanDerWaalsContact CZ-CD 3.45Å; R177-E179 IonicContact CZ-OE1 2.83Å; R177-E179 IonicContact CZ-OE2 3.67Å; R177-E179 VanDerWaalsContact NE-CD 3.26Å; R177-E179 IonicContact NE-OE1 3.36Å; R177-E179 PolarHBondContact NE-OE1 3.13Å; R177-E179 IonicContact NE-OE2 3.71Å; R177-E179 IonicContact NH1-OE1 3.8Å; R177-E179 IonicContact NH2-OE1 2.74Å; R177-E179 PolarHBondContact NH2-OE1 2.66Å; R177-E179 IonicContact NH2-OE2 2.8Å; R177-E179 PolarHBondContact NH2-OE2 3.44Å; E179-P188 HydrophobicContact CB-CB 4.4Å; E179-P188 WeakPolarHBondContact OE2-CG 3.13Å; E179-F189 WeakPolarHBondContact CA-O 3.26Å; E179-R190 HydrophobicContact CG-CG 4.49Å
180F97Very high95.2Very high28 Ų2879.6 Ų79.612%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-133.6119.4-173.8-58-83.2000109.4I6 L168 R169 I170 Q178 L182 P188 F189 V191I6-F180 HydrophobicContact CD1-CB 3.97Å; I6-F180 HydrophobicContact CD1-CD1 3.87Å; I6-F180 HydrophobicContact CD1-CG 4.36Å; L168-F180 HydrophobicContact CD1-CB 4.25Å; L168-F180 HydrophobicContact CD1-CD1 4.28Å; L168-F180 HydrophobicContact CD1-CD2 4.38Å; L168-F180 HydrophobicContact CD1-CG 4.04Å; L168-F180 HydrophobicContact CD2-CE1 4.29Å; L168-F180 HydrophobicContact CD2-CZ 4.3Å; L168-F180 HydrophobicContact CG-CD1 3.98Å; L168-F180 HydrophobicContact CG-CE1 4.15Å; L168-F180 HydrophobicContact CG-CG 4.24Å; R169-F180 WeakPolarHBondContact O-CE1 2.93Å; R169-F180 WeakPolarHBondContact O-CZ 3.27Å; I170-F180 HydrophobicContact CD1-CE2 4.12Å; I170-F180 HydrophobicContact CD1-CZ 4.05Å; Q178-F180 HydrophobicContact CB-CE2 3.76Å; Q178-F180 HydrophobicContact CB-CZ 3.92Å; F180-L182 HydrophobicContact CB-CD2 4.34Å; F180-P188 WeakPolarHBondContact O-CA 2.99Å; F180-F189 HydrophobicContact CB-CB 4.42Å; F180-F189 HydrophobicContact CB-CD1 4.25Å; F180-F189 AromaticContact CD2-CD1 3.8Å; F180-F189 HydrophobicContact CD2-CD1 3.8Å; F180-F189 HydrophobicContact CD2-CE1 4.31Å; F180-F189 HydrophobicContact CG-CD1 4.37Å; F180-F189 PolarHBondContact N-O 3.48Å; F180-F189 PolarHBondContact O-N 2.99Å; F180-V191 HydrophobicContact CD2-CG2 4.36Å; F180-V191 HydrophobicContact CE2-CB 4.3Å; F180-V191 HydrophobicContact CE2-CG2 3.89Å
181D96.3Very high95.3Very high84 Ų8478.2 Ų78.245%0.44938%0.379SS..  trans-79.6119.3171.5-65.8-37.8000108.7I6I6-D181 PolarHBondContact N-O 2.67Å
182L94.9Very high95.4Very high10 Ų1077.1 Ų77.15%0.05237%0.372CS..BIsolated β-bridgetrans-105.9147.6-179.5-51.7179.8000110.1I6 A83 L168 F180 K185 F189I6-L182 HydrophobicContact CB-CD2 3.96Å; I6-L182 HydrophobicContact CD1-CD2 4.33Å; I6-L182 HydrophobicContact CG2-CD2 4.27Å; A83-L182 HydrophobicContact CB-CD1 3.79Å; A83-L182 HydrophobicContact CB-CD2 4.36Å; A83-L182 WeakPolarHBondContact O-CD1 3.19Å; L168-L182 HydrophobicContact CD1-CD2 4.4Å; F180-L182 HydrophobicContact CB-CD2 4.34Å; L182-K185 HydrophobicContact CB-CB 4Å; L182-K185 HydrophobicContact CB-CG 3.94Å; L182-K185 HydrophobicContact CD1-CG 4.26Å; L182-K185 PolarHBondContact O-N 3.23Å; L182-F189 HydrophobicContact CD1-CB 3.74Å; L182-F189 HydrophobicContact CD1-CG 4.46Å; L182-F189 HydrophobicContact CG-CB 4.08Å
183E91.9Very high95.4Very high86 Ų8676.7 Ų76.740%0.40237%0.369SS..THydrogen-bonded Turntrans-60.1140173.8-162-175.9-178.600110.5P5 I6 K185P5-E183 HydrophobicContact CB-CB 4.23Å; P5-E183 HydrophobicContact CG-CB 4.45Å; P5-E183 HydrophobicContact CG-CG 4.48Å; I6-E183 PolarHBondContact O-N 3.1Å; E183-K185 PolarHBondContact O-N 2.96Å; E183-K185 VanDerWaalsContact O-N 3.11Å
184N87.1Confident95.4Very high157 Ų15775.3 Ų75.384%0.8436%0.358SS*.THydrogen-bonded Turntrans57.922.5179.1-58.1-47.6000115.3
185K87.5Confident95.5Very high69 Ų6969.2 Ų69.230%0.334%0.339SS..  trans-120.6126.4173.6-71.7-81.7179.8-1750110.7L182 E183L182-K185 HydrophobicContact CB-CB 4Å; L182-K185 HydrophobicContact CB-CG 3.94Å; L182-K185 HydrophobicContact CD1-CG 4.26Å; L182-K185 PolarHBondContact O-N 3.23Å; E183-K185 PolarHBondContact O-N 2.96Å; E183-K185 VanDerWaalsContact O-N 3.11Å
186F85.5Confident95.6Very high206 Ų20665.5 Ų65.590%0.90432%0.317SS*.SBendtrans-75.8-32.5-179.3-174-99.3000113.6
187K91.9Very high95.6Very high166 Ų16664.2 Ų64.272%0.72230%0.303SS*.SBendtrans-103.9140.2177.9-66.5-175.8-179178.50109.4
188P94.9Very high95.6Very high49 Ų4961.3 Ų61.332%0.31830%0.295SS..PPolyproline II helixtrans-64143.4175.527.3-34.3000110.2E179 F180E179-P188 HydrophobicContact CB-CB 4.4Å; E179-P188 WeakPolarHBondContact OE2-CG 3.13Å; F180-P188 WeakPolarHBondContact O-CA 2.99Å
189F98.1Very high95.7Very high3 Ų361.6 Ų61.61%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-74.6132.6168.1170.2-109.5000109.2V79 A83 I87 L90 L168 E179 F180 L182 V191V79-F189 HydrophobicContact CG1-CE1 3.61Å; V79-F189 HydrophobicContact CG1-CZ 3.99Å; A83-F189 HydrophobicContact CB-CD1 3.73Å; A83-F189 HydrophobicContact CB-CD2 4.15Å; A83-F189 HydrophobicContact CB-CE1 3.84Å; A83-F189 HydrophobicContact CB-CE2 4.24Å; A83-F189 HydrophobicContact CB-CG 3.87Å; A83-F189 HydrophobicContact CB-CZ 4.08Å; I87-F189 HydrophobicContact CG2-CE2 4.48Å; I87-F189 VanDerWaalsContact O-CD2 3.27Å; I87-F189 WeakPolarHBondContact O-CD2 3.43Å; L90-F189 HydrophobicContact CB-CZ 4.45Å; L90-F189 HydrophobicContact CD1-CE2 4.45Å; L90-F189 HydrophobicContact CD1-CZ 3.77Å; L90-F189 HydrophobicContact CG-CE2 4.02Å; L90-F189 HydrophobicContact CG-CZ 3.75Å; L168-F189 HydrophobicContact CD1-CD1 3.99Å; L168-F189 HydrophobicContact CD1-CE1 4.11Å; E179-F189 WeakPolarHBondContact CA-O 3.26Å; F180-F189 HydrophobicContact CB-CB 4.42Å; F180-F189 HydrophobicContact CB-CD1 4.25Å; F180-F189 AromaticContact CD2-CD1 3.8Å; F180-F189 HydrophobicContact CD2-CD1 3.8Å; F180-F189 HydrophobicContact CD2-CE1 4.31Å; F180-F189 HydrophobicContact CG-CD1 4.37Å; F180-F189 PolarHBondContact N-O 3.48Å; F180-F189 PolarHBondContact O-N 2.99Å; L182-F189 HydrophobicContact CD1-CB 3.74Å; L182-F189 HydrophobicContact CD1-CG 4.46Å; L182-F189 HydrophobicContact CG-CB 4.08Å; F189-V191 HydrophobicContact CD1-CG2 4.2Å; F189-V191 HydrophobicContact CE1-CG2 3.39Å; F189-V191 HydrophobicContact CZ-CG2 3.78Å
190R98.4Very high95.7Very high75 Ų7557 Ų5728%0.28328%0.278SS..EExtended strand (participates in β ladder)trans-113.7135.3-174.7-168.7-172.6-58.2177.9-0.1111.7G88 R89 L90 R177 E179 E192G88-R190 PolarHBondContact O-N 2.81Å; R89-R190 CarbonylContact C-O 3.55Å; R89-R190 VanDerWaalsContact CA-O 3.22Å; R89-R190 WeakPolarHBondContact CA-O 3.33Å; R89-R190 HydrophobicContact CB-CB 4.39Å; R89-R190 HydrophobicContact CG-CB 4.24Å; R89-R190 HydrophobicContact CG-CG 4.47Å; L90-R190 PolarHBondContact N-O 3.44Å; R177-R190 HydrophobicContact CG-CG 3.8Å; R177-R190 VanDerWaalsContact CZ-NH2 3.28Å; R177-R190 VanDerWaalsContact NH2-CZ 3.35Å; E179-R190 HydrophobicContact CG-CG 4.49Å; R190-E192 WeakPolarHBondContact CD-OE1 3.41Å; R190-E192 HydrophobicContact CG-CG 4.2Å; R190-E192 IonicContact CZ-OE1 2.74Å; R190-E192 IonicContact NE-OE1 3.27Å; R190-E192 IonicContact NH1-OE1 3.26Å; R190-E192 PolarHBondContact NH1-OE1 3Å; R190-E192 VanDerWaalsContact NH1-OE1 3.13Å
191V98.8Very high95.8Very high0 Ų055.7 Ų55.70%027%0.272CS..EExtended strand (participates in β ladder)trans-118126164.9-173.80000109.3V79 L90 I92 I170 R177 Q178 F180 F189 I193V79-V191 HydrophobicContact CG1-CG2 3.88Å; L90-V191 HydrophobicContact CB-CG1 4.46Å; L90-V191 HydrophobicContact CB-CG2 4.4Å; L90-V191 CarbonylContact O-C 3.58Å; L90-V191 WeakPolarHBondContact O-CA 3.36Å; I92-V191 HydrophobicContact CD1-CG1 3.57Å; I92-V191 HydrophobicContact CG1-CG1 3.93Å; I170-V191 HydrophobicContact CD1-CB 3.58Å; I170-V191 HydrophobicContact CD1-CG1 3.45Å; I170-V191 VanDerWaalsContact CD1-CG1 3.45Å; I170-V191 HydrophobicContact CD1-CG2 3.85Å; I170-V191 HydrophobicContact CG1-CG1 4.26Å; R177-V191 WeakPolarHBondContact CA-O 3.24Å; Q178-V191 PolarHBondContact N-O 3.14Å; Q178-V191 PolarHBondContact O-N 2.9Å; F180-V191 HydrophobicContact CD2-CG2 4.36Å; F180-V191 HydrophobicContact CE2-CB 4.3Å; F180-V191 HydrophobicContact CE2-CG2 3.89Å; F189-V191 HydrophobicContact CD1-CG2 4.2Å; F189-V191 HydrophobicContact CE1-CG2 3.39Å; F189-V191 HydrophobicContact CZ-CG2 3.78Å; V191-I193 HydrophobicContact CG1-CD1 3.89Å
192E98.7Very high96Very high41 Ų4155.3 Ų55.319%0.19227%0.267CS..EExtended strand (participates in β ladder)trans-109.7108.1175.3-71.5173.3-168.900108.1R89 L90 V91 I92 R190R89-E192 WeakPolarHBondContact CD-OE1 3.14Å; R89-E192 IonicContact CZ-OE2 2.78Å; R89-E192 IonicContact NH1-OE1 3.8Å; R89-E192 PolarHBondContact NH1-OE1 3.14Å; R89-E192 IonicContact NH1-OE2 3.68Å; R89-E192 PolarHBondContact NH1-OE2 2.9Å; L90-E192 PolarHBondContact O-N 2.85Å; V91-E192 WeakPolarHBondContact CA-O 3.43Å; V91-E192 HydrophobicContact CG2-CB 4.41Å; I92-E192 PolarHBondContact N-O 2.87Å; R190-E192 WeakPolarHBondContact CD-OE1 3.41Å; R190-E192 HydrophobicContact CG-CG 4.2Å; R190-E192 IonicContact CZ-OE1 2.74Å; R190-E192 IonicContact NE-OE1 3.27Å; R190-E192 IonicContact NH1-OE1 3.26Å; R190-E192 PolarHBondContact NH1-OE1 3Å; R190-E192 VanDerWaalsContact NH1-OE1 3.13Å
193I98.8Very high96.1Very high3 Ų356.2 Ų56.22%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-82.1119.5170.7-52.3-55.4000107.6I92 L94 I170 L172 R174 V175 G176 V191I92-I193 HydrophobicContact CB-CD1 3.91Å; I92-I193 HydrophobicContact CG2-CD1 4.49Å; I92-I193 CarbonylContact O-C 3.57Å; I92-I193 VanDerWaalsContact O-CA 3.29Å; I92-I193 WeakPolarHBondContact O-CA 3.43Å; L94-I193 HydrophobicContact CB-CG2 4.45Å; L94-I193 HydrophobicContact CD1-CG2 4.11Å; I170-I193 HydrophobicContact CG1-CD1 4.49Å; L172-I193 HydrophobicContact CD2-CD1 3.89Å; R174-I193 VanDerWaalsContact O-CB 3.25Å; R174-I193 WeakPolarHBondContact O-CB 3.45Å; R174-I193 WeakPolarHBondContact O-CG2 3.32Å; V175-I193 WeakPolarHBondContact CA-O 3.43Å; V175-I193 WeakPolarHBondContact CG1-O 3.49Å; G176-I193 PolarHBondContact N-O 3.06Å; G176-I193 PolarHBondContact O-N 3.17Å; V191-I193 HydrophobicContact CG1-CD1 3.89Å
194V98.8Very high96.5Very high33 Ų3352.1 Ų52.120%0.225%0.252CS..EExtended strand (participates in β ladder)trans-113.7153.6-175.6-62.10000111.4V91 I92 G93 L94 S196V91-V194 HydrophobicContact CG1-CB 4.48Å; V91-V194 HydrophobicContact CG1-CG1 3.8Å; V91-V194 HydrophobicContact CG1-CG2 3.81Å; I92-V194 PolarHBondContact O-N 3.24Å; G93-V194 CarbonylContact C-O 3.57Å; L94-V194 PolarHBondContact N-O 3.01Å; V194-S196 PolarHBondContact O-N 3.43Å
195D98.7Very high97Very high55 Ų5548.5 Ų48.529%0.29423%0.227SC..  trans-56.8131.5167.6-176.5-81.1000109.7V197 E198D195-V197 PolarHBondContact O-N 2.83Å; D195-V197 WeakPolarHBondContact OD1-CA 3.21Å; D195-V197 PolarHBondContact OD1-N 3.4Å; D195-E198 HydrophobicContact CB-CB 3.96Å; D195-E198 PolarHBondContact OD1-N 2.85Å
196S98.5Very high97.5Very high12 Ų1251 Ų518%0.08424%0.244CC..THydrogen-bonded Turntrans-65.7-26.7-173.9-57.60000113.2L97 V194 Y237L97-S196 VanDerWaalsContact O-CB 3.22Å; L97-S196 WeakPolarHBondContact O-CB 3.43Å; L97-S196 PolarHBondContact O-OG 3.29Å; V194-S196 PolarHBondContact O-N 3.43Å; S196-Y237 WeakPolarHBondContact O-CE1 3.23Å; S196-Y237 PolarHBondContact O-OH 2.89Å
197V98.8Very high98.2Very high7 Ų741.5 Ų41.54%0.04220%0.202CC..THydrogen-bonded Turntrans-108-34.1-168.5-173.50000111.9D195 V199 Y200 L201 P236 Y237 R240 I241D195-V197 PolarHBondContact O-N 2.83Å; D195-V197 WeakPolarHBondContact OD1-CA 3.21Å; D195-V197 PolarHBondContact OD1-N 3.4Å; V197-V199 PolarHBondContact O-N 3.25Å; V197-Y200 WeakPolarHBondContact O-CB 3.5Å; V197-Y200 PolarHBondContact O-N 3Å; V197-Y200 VanDerWaalsContact O-N 3.13Å; V197-L201 HydrophobicContact CG1-CB 4.14Å; V197-L201 WeakPolarHBondContact O-CB 3.26Å; V197-L201 PolarHBondContact O-N 3.38Å; V197-P236 HydrophobicContact CG2-CB 4.25Å; V197-Y237 HydrophobicContact CB-CD1 4.36Å; V197-Y237 HydrophobicContact CB-CE1 4.47Å; V197-Y237 HydrophobicContact CG1-CD1 4.04Å; V197-Y237 HydrophobicContact CG2-CD1 3.97Å; V197-Y237 HydrophobicContact CG2-CD2 4.35Å; V197-Y237 HydrophobicContact CG2-CE1 4.15Å; V197-Y237 HydrophobicContact CG2-CG 4.08Å; V197-R240 HydrophobicContact CB-CG 4.42Å; V197-R240 HydrophobicContact CG1-CB 4.1Å; V197-R240 HydrophobicContact CG1-CG 4Å; V197-R240 HydrophobicContact CG2-CB 4.48Å; V197-I241 HydrophobicContact CG1-CD1 3.8Å; V197-I241 HydrophobicContact CG1-CG1 3.77Å
198E98.6Very high98.5Very high63 Ų6333.9 Ų33.929%0.29417%0.169SC..Hα-helixtrans-54.3-54.3-164.8-175.559.1-147.800114.1D195 Y200 L201 Q202 R240D195-E198 HydrophobicContact CB-CB 3.96Å; D195-E198 PolarHBondContact OD1-N 2.85Å; E198-Y200 VanDerWaalsContact C-N 3.27Å; E198-Y200 PolarHBondContact O-N 3.05Å; E198-L201 PolarHBondContact O-N 3.11Å; E198-Q202 VanDerWaalsContact O-CG 3.28Å; E198-Q202 WeakPolarHBondContact O-CG 3.19Å; E198-Q202 PolarHBondContact O-N 2.93Å; E198-Q202 PolarHBondContact OE1-NE2 3.08Å; E198-R240 IonicContact OE2-NH2 2.71Å
199V98.6Very high98.7Very high49 Ų4934.7 Ų34.730%0.29717%0.171SC..Hα-helixtrans-61.9-38.9-177.8178.60000111.4I106 K109 V197 M203I106-V199 HydrophobicContact CG1-CB 4.03Å; I106-V199 HydrophobicContact CG1-CG1 3.93Å; I106-V199 HydrophobicContact CG1-CG2 4.5Å; K109-V199 HydrophobicContact CB-CG1 4.36Å; K109-V199 HydrophobicContact CG-CG1 4.16Å; V197-V199 PolarHBondContact O-N 3.25Å; V199-M203 PolarHBondContact O-N 2.7Å
200Y98.9Very high98.7Very high2 Ų236 Ų361%0.00818%0.177CC..Hα-helixtrans-70.6-43.7178.9173.9-99.2000112P101 A102 C105 V197 E198 Q202 M203 L204 Y237 I241 D395 L397P101-Y200 HydrophobicContact CB-CD2 4.43Å; P101-Y200 HydrophobicContact CB-CE2 3.78Å; A102-Y200 HydrophobicContact CB-CD2 4.45Å; A102-Y200 HydrophobicContact CB-CG 4.34Å; C105-Y200 HydrophobicContact CB-CD2 4.3Å; V197-Y200 WeakPolarHBondContact O-CB 3.5Å; V197-Y200 PolarHBondContact O-N 3Å; V197-Y200 VanDerWaalsContact O-N 3.13Å; E198-Y200 VanDerWaalsContact C-N 3.27Å; E198-Y200 PolarHBondContact O-N 3.05Å; Y200-Q202 VanDerWaalsContact C-N 3.32Å; Y200-Q202 PolarHBondContact O-N 3.48Å; Y200-M203 HydrophobicContact CD2-CE 3.48Å; Y200-M203 VanDerWaalsContact CD2-CE 3.48Å; Y200-M203 HydrophobicContact CE2-CE 3.49Å; Y200-M203 VanDerWaalsContact CE2-CE 3.49Å; Y200-M203 WeakPolarHBondContact O-CB 3.49Å; Y200-M203 PolarHBondContact O-N 3.13Å; Y200-M203 VanDerWaalsContact O-N 3.12Å; Y200-L204 HydrophobicContact CD1-CD1 3.87Å; Y200-L204 HydrophobicContact CD1-CG 4.42Å; Y200-L204 HydrophobicContact CE1-CD1 3.19Å; Y200-L204 HydrophobicContact CE1-CG 3.94Å; Y200-L204 HydrophobicContact CE2-CD1 4.44Å; Y200-L204 HydrophobicContact CE2-CD2 4.44Å; Y200-L204 HydrophobicContact CE2-CG 4.38Å; Y200-L204 PolarHBondContact O-N 2.93Å; Y200-Y237 AromaticContact CD1-CD1 3.73Å; Y200-Y237 HydrophobicContact CD1-CD1 3.73Å; Y200-Y237 AromaticContact CD1-CE1 3.95Å; Y200-Y237 HydrophobicContact CD1-CE1 3.95Å; Y200-Y237 HydrophobicContact CE1-CD1 4.07Å; Y200-Y237 HydrophobicContact CG-CE1 4.35Å; Y200-I241 HydrophobicContact CD1-CD1 3.97Å; Y200-I241 HydrophobicContact CE1-CD1 3.97Å; Y200-D395 WeakPolarHBondContact CE2-OD2 3.34Å; Y200-D395 VanDerWaalsContact CZ-OD2 3.31Å; Y200-D395 PolarHBondContact OH-OD1 3.13Å; Y200-D395 PolarHBondContact OH-OD2 3.42Å; Y200-L397 HydrophobicContact CE1-CD2 4.2Å
201L98.9Very high98.7Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-58.1-43.8173.816759.3000111.4V197 E198 M203 L204 R205 F210 R240 I241 E245V197-L201 HydrophobicContact CG1-CB 4.14Å; V197-L201 WeakPolarHBondContact O-CB 3.26Å; V197-L201 PolarHBondContact O-N 3.38Å; E198-L201 PolarHBondContact O-N 3.11Å; L201-M203 VanDerWaalsContact C-N 3.27Å; L201-M203 PolarHBondContact O-N 2.75Å; L201-L204 PolarHBondContact O-N 2.62Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L201-R205 HydrophobicContact CD1-CG 4.12Å; L201-R205 WeakPolarHBondContact O-CG 3.43Å; L201-R205 PolarHBondContact O-N 2.94Å; L201-F210 HydrophobicContact CD1-CE2 3.61Å; L201-F210 HydrophobicContact CD1-CZ 3.94Å; L201-R240 HydrophobicContact CD2-CG 4.47Å; L201-I241 HydrophobicContact CB-CD1 4.1Å; L201-I241 HydrophobicContact CB-CG1 4.4Å; L201-I241 HydrophobicContact CD1-CD1 4.21Å; L201-I241 HydrophobicContact CD1-CG1 4.03Å; L201-I241 HydrophobicContact CD1-CG2 4.23Å; L201-E245 HydrophobicContact CD1-CG 4.35Å; L201-E245 HydrophobicContact CD2-CG 3.94Å
202Q98.8Very high98.7Very high76 Ų7638.2 Ų38.236%0.35521%0.206SC..Hα-helixtrans-61.9-36.2176.7-66.5-64.2-11.500112.2E198 Y200 N206E198-Q202 VanDerWaalsContact O-CG 3.28Å; E198-Q202 WeakPolarHBondContact O-CG 3.19Å; E198-Q202 PolarHBondContact O-N 2.93Å; E198-Q202 PolarHBondContact OE1-NE2 3.08Å; Y200-Q202 VanDerWaalsContact C-N 3.32Å; Y200-Q202 PolarHBondContact O-N 3.48Å; Q202-N206 PolarHBondContact O-ND2 3.15Å
203M98.8Very high98.7Very high28 Ų2836.3 Ų36.314%0.13820%0.197CC..Hα-helixtrans-63.2-48.7172.1177.5-171.467.900111.1C105 V199 Y200 L201 R205 N206 I207 I391C105-M203 HydrophobicContact CB-CE 4.09Å; C105-M203 HydrophobicContact CB-SD 4Å; V199-M203 PolarHBondContact O-N 2.7Å; Y200-M203 HydrophobicContact CD2-CE 3.48Å; Y200-M203 VanDerWaalsContact CD2-CE 3.48Å; Y200-M203 HydrophobicContact CE2-CE 3.49Å; Y200-M203 VanDerWaalsContact CE2-CE 3.49Å; Y200-M203 WeakPolarHBondContact O-CB 3.49Å; Y200-M203 PolarHBondContact O-N 3.13Å; Y200-M203 VanDerWaalsContact O-N 3.12Å; L201-M203 VanDerWaalsContact C-N 3.27Å; L201-M203 PolarHBondContact O-N 2.75Å; M203-R205 VanDerWaalsContact C-N 3.33Å; M203-R205 PolarHBondContact O-N 3.39Å; M203-N206 PolarHBondContact O-N 2.97Å; M203-N206 VanDerWaalsContact O-N 3.07Å; M203-I207 HydrophobicContact CG-CD1 3.92Å; M203-I207 WeakPolarHBondContact O-CG1 3.47Å; M203-I207 PolarHBondContact O-N 3.11Å; M203-I391 HydrophobicContact CE-CG2 3.8Å; M203-I391 HydrophobicContact SD-CG2 3.49Å; M203-I391 WeakPolarHBondContact SD-CG2 3.46Å
204L98.9Very high98.7Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-61.8-38-179.5-67.4177.5000113.1Y200 L201 N206 I207 F208 F210 I241 W398 L401Y200-L204 HydrophobicContact CD1-CD1 3.87Å; Y200-L204 HydrophobicContact CD1-CG 4.42Å; Y200-L204 HydrophobicContact CE1-CD1 3.19Å; Y200-L204 HydrophobicContact CE1-CG 3.94Å; Y200-L204 HydrophobicContact CE2-CD1 4.44Å; Y200-L204 HydrophobicContact CE2-CD2 4.44Å; Y200-L204 HydrophobicContact CE2-CG 4.38Å; Y200-L204 PolarHBondContact O-N 2.93Å; L201-L204 PolarHBondContact O-N 2.62Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L204-N206 PolarHBondContact O-N 3.08Å; L204-I207 PolarHBondContact O-N 2.84Å; L204-F208 HydrophobicContact CD2-CD2 4.24Å; L204-F208 HydrophobicContact CD2-CE2 3.89Å; L204-F208 PolarHBondContact O-N 3.07Å; L204-F210 HydrophobicContact CB-CE1 4.15Å; L204-F210 HydrophobicContact CB-CZ 3.95Å; L204-F210 WeakPolarHBondContact O-CE1 3.38Å; L204-I241 HydrophobicContact CD1-CD1 3.77Å; L204-W398 HydrophobicContact CD2-CB 4.43Å; L204-L401 HydrophobicContact CB-CD1 4.37Å; L204-L401 HydrophobicContact CD1-CD1 3.71Å; L204-L401 HydrophobicContact CD2-CD1 4.2Å; L204-L401 HydrophobicContact CG-CD1 4.33Å
205R98.6Very high98.7Very high81 Ų8142.8 Ų42.831%0.30623%0.233SC..Hα-helixtrans-58-30.6174.4-78.8178.8173.6153.6-4.2113.1L201 M203 I207 F210 E245L201-R205 HydrophobicContact CD1-CG 4.12Å; L201-R205 WeakPolarHBondContact O-CG 3.43Å; L201-R205 PolarHBondContact O-N 2.94Å; M203-R205 VanDerWaalsContact C-N 3.33Å; M203-R205 PolarHBondContact O-N 3.39Å; R205-I207 VanDerWaalsContact C-N 3.34Å; R205-F210 HydrophobicContact CG-CD1 4.45Å; R205-F210 HydrophobicContact CG-CD2 3.94Å; R205-F210 HydrophobicContact CG-CE1 4.25Å; R205-F210 HydrophobicContact CG-CE2 3.72Å; R205-F210 HydrophobicContact CG-CG 4.32Å; R205-F210 HydrophobicContact CG-CZ 3.89Å; R205-E245 IonicContact CZ-OE2 2.73Å; R205-E245 IonicContact NH2-OE1 3.66Å; R205-E245 PolarHBondContact NH2-OE1 3.27Å; R205-E245 IonicContact NH2-OE2 3.29Å; R205-E245 PolarHBondContact NH2-OE2 3.22Å
206N98.3Very high98.7Very high123 Ų12341.8 Ų41.866%0.65823%0.227SC*.Hα-helixtrans-83.4-11.6177.1-66.5-48.3000113.1Q202 M203 L204Q202-N206 PolarHBondContact O-ND2 3.15Å; M203-N206 PolarHBondContact O-N 2.97Å; M203-N206 VanDerWaalsContact O-N 3.07Å; L204-N206 PolarHBondContact O-N 3.08Å
207I98.8Very high98.7Very high5 Ų541.2 Ų41.23%0.02622%0.223CC..Hα-helixtrans-98.3-45.8-177.3-66.1168.3000111.2M203 L204 R205 I325 P326 Y327 H390M203-I207 HydrophobicContact CG-CD1 3.92Å; M203-I207 WeakPolarHBondContact O-CG1 3.47Å; M203-I207 PolarHBondContact O-N 3.11Å; L204-I207 PolarHBondContact O-N 2.84Å; R205-I207 VanDerWaalsContact C-N 3.34Å; I207-I325 HydrophobicContact CG2-CG2 4.19Å; I207-P326 WeakPolarHBondContact O-CD 3.49Å; I207-Y327 HydrophobicContact CG1-CD2 4.19Å; I207-Y327 HydrophobicContact CG2-CG 4.29Å; I207-Y327 PolarHBondContact O-N 2.98Å; I207-Y327 VanDerWaalsContact O-N 3.13Å; I207-H390 HydrophobicContact CD1-CB 3.6Å
208F98.9Very high98.7Very high6 Ų643.4 Ų43.43%0.02624%0.236CC..SBendtrans-108.8156.6-170.8-63.2-74000112.8L204 F210 I213 I325 W398 L401 A402 S405L204-F208 HydrophobicContact CD2-CD2 4.24Å; L204-F208 HydrophobicContact CD2-CE2 3.89Å; L204-F208 PolarHBondContact O-N 3.07Å; F208-F210 HydrophobicContact CB-CD1 4.05Å; F208-F210 HydrophobicContact CB-CE1 4.03Å; F208-F210 PolarHBondContact O-N 3.09Å; F208-I213 HydrophobicContact CB-CD1 4.04Å; F208-I325 HydrophobicContact CD1-CG1 4.34Å; F208-I325 HydrophobicContact CD1-CG2 3.89Å; F208-I325 HydrophobicContact CE1-CD1 4.05Å; F208-I325 HydrophobicContact CE1-CG1 4.09Å; F208-I325 HydrophobicContact CE1-CG2 3.87Å; F208-W398 AromaticContact CE2-CD1 3.5Å; F208-W398 VanDerWaalsContact CE2-CD1 3.5Å; F208-W398 HydrophobicContact CE2-CG 4.09Å; F208-W398 AromaticContact CE2-NE1 3.86Å; F208-W398 AromaticContact CZ-CD1 3.51Å; F208-W398 HydrophobicContact CZ-CD2 4.17Å; F208-W398 AromaticContact CZ-CE2 3.91Å; F208-W398 AromaticContact CZ-CG 3.89Å; F208-W398 HydrophobicContact CZ-CG 3.89Å; F208-W398 AromaticContact CZ-NE1 3.51Å; F208-W398 WeakPolarHBondContact CZ-O 3.34Å; F208-L401 HydrophobicContact CD1-CB 4.23Å; F208-L401 HydrophobicContact CD2-CB 3.86Å; F208-L401 HydrophobicContact CD2-CD1 3.91Å; F208-L401 HydrophobicContact CE1-CB 4.09Å; F208-L401 HydrophobicContact CE2-CB 3.69Å; F208-L401 HydrophobicContact CE2-CD1 4.05Å; F208-L401 HydrophobicContact CG-CB 4.12Å; F208-L401 HydrophobicContact CZ-CB 3.8Å; F208-A402 HydrophobicContact CE1-CB 4.06Å; F208-A402 HydrophobicContact CZ-CB 4.3Å; F208-S405 WeakPolarHBondContact CD1-OG 3.26Å
209D98.8Very high98.5Very high67 Ų6742.5 Ų42.536%0.35824%0.244SC..  trans-84.592.1170-171.2-24.2000109.6S211 A212 I213 P326D209-S211 PolarHBondContact O-N 2.74Å; D209-S211 VanDerWaalsContact OD1-CB 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.31Å; D209-S211 PolarHBondContact OD1-N 3.43Å; D209-A212 HydrophobicContact CB-CB 3.97Å; D209-A212 PolarHBondContact O-N 3.19Å; D209-A212 PolarHBondContact OD1-N 3.01Å; D209-I213 WeakPolarHBondContact O-CG1 3.43Å; D209-I213 PolarHBondContact O-N 3.48Å; D209-I213 VanDerWaalsContact O-N 3.11Å; D209-P326 HydrophobicContact CB-CG 3.89Å
210F98.8Very high98.4Very high31 Ų3146.3 Ų46.314%0.13627%0.27CS..Hα-helixtrans-63.8-25.8-179.7-86.644.7000112.3L201 L204 R205 F208 K214 I241 L246L201-F210 HydrophobicContact CD1-CE2 3.61Å; L201-F210 HydrophobicContact CD1-CZ 3.94Å; L204-F210 HydrophobicContact CB-CE1 4.15Å; L204-F210 HydrophobicContact CB-CZ 3.95Å; L204-F210 WeakPolarHBondContact O-CE1 3.38Å; R205-F210 HydrophobicContact CG-CD1 4.45Å; R205-F210 HydrophobicContact CG-CD2 3.94Å; R205-F210 HydrophobicContact CG-CE1 4.25Å; R205-F210 HydrophobicContact CG-CE2 3.72Å; R205-F210 HydrophobicContact CG-CG 4.32Å; R205-F210 HydrophobicContact CG-CZ 3.89Å; F208-F210 HydrophobicContact CB-CD1 4.05Å; F208-F210 HydrophobicContact CB-CE1 4.03Å; F208-F210 PolarHBondContact O-N 3.09Å; F210-K214 WeakPolarHBondContact O-CB 3.15Å; F210-K214 PolarHBondContact O-N 3.09Å; F210-I241 HydrophobicContact CE2-CG2 4.28Å; F210-I241 HydrophobicContact CZ-CG2 4.28Å; F210-L246 HydrophobicContact CB-CD2 3.83Å; F210-L246 HydrophobicContact CD2-CD2 3.58Å; F210-L246 HydrophobicContact CD2-CG 4.11Å; F210-L246 HydrophobicContact CE2-CD2 4.24Å; F210-L246 HydrophobicContact CE2-CG 4.33Å; F210-L246 HydrophobicContact CG-CD2 3.75Å; F210-L246 WeakPolarHBondContact O-CD2 3.34Å
211S98.6Very high98.1Very high83 Ų8353.8 Ų53.858%0.5831%0.31SS*.Hα-helixtrans-69.9-44.7177-173.10000111.1D209 K214 S215D209-S211 PolarHBondContact O-N 2.74Å; D209-S211 VanDerWaalsContact OD1-CB 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.31Å; D209-S211 PolarHBondContact OD1-N 3.43Å; S211-K214 PolarHBondContact O-N 2.67Å; S211-S215 WeakPolarHBondContact O-CB 3.15Å; S211-S215 PolarHBondContact O-N 2.93Å; S211-S215 PolarHBondContact O-OG 2.92Å
212A98.6Very high98.1Very high37 Ų3757.1 Ų57.131%0.30633%0.325SS..Hα-helixtrans-63.2-45176.300000111.8D209 S215 L216D209-A212 HydrophobicContact CB-CB 3.97Å; D209-A212 PolarHBondContact O-N 3.19Å; D209-A212 PolarHBondContact OD1-N 3.01Å; A212-S215 PolarHBondContact O-N 3.43Å; A212-L216 PolarHBondContact O-N 3.27Å; A212-L216 VanDerWaalsContact O-N 3.09Å
213I98.8Very high98.1Very high1 Ų155 Ų551%0.00532%0.317CS..Hα-helixtrans-66.2-43.4178-61.1170.7000110.6F208 D209 S215 L216 L217 L246 L401 L404F208-I213 HydrophobicContact CB-CD1 4.04Å; D209-I213 WeakPolarHBondContact O-CG1 3.43Å; D209-I213 PolarHBondContact O-N 3.48Å; D209-I213 VanDerWaalsContact O-N 3.11Å; I213-S215 VanDerWaalsContact C-N 3.3Å; I213-S215 PolarHBondContact O-N 2.83Å; I213-L216 WeakPolarHBondContact O-CB 3.5Å; I213-L216 PolarHBondContact O-N 3.44Å; I213-L216 VanDerWaalsContact O-N 3.07Å; I213-L217 HydrophobicContact CG2-CD1 3.93Å; I213-L217 HydrophobicContact CG2-CG 4.34Å; I213-L217 WeakPolarHBondContact O-CG 3.28Å; I213-L217 PolarHBondContact O-N 2.84Å; I213-L246 HydrophobicContact CB-CD2 4.07Å; I213-L246 HydrophobicContact CG2-CD1 3.87Å; I213-L246 HydrophobicContact CG2-CD2 4.04Å; I213-L246 HydrophobicContact CG2-CG 4.43Å; I213-L401 HydrophobicContact CD1-CB 4.42Å; I213-L401 HydrophobicContact CD1-CD2 4.01Å; I213-L404 HydrophobicContact CG1-CB 4.49Å; I213-L404 HydrophobicContact CG2-CB 4.14Å; I213-L404 HydrophobicContact CG2-CD1 4.11Å
214K98.8Very high98.1Very high91 Ų9159.7 Ų59.740%0.39634%0.336SS..Hα-helixtrans-59.7-41.3176-179.7162.4-165.61540112.1F210 S211 L216 L217 T218 E245 L246F210-K214 WeakPolarHBondContact O-CB 3.15Å; F210-K214 PolarHBondContact O-N 3.09Å; S211-K214 PolarHBondContact O-N 2.67Å; K214-L216 VanDerWaalsContact C-N 3.26Å; K214-L216 PolarHBondContact O-N 3.34Å; K214-L217 PolarHBondContact O-N 3.3Å; K214-T218 HydrophobicContact CG-CG2 4.32Å; K214-T218 WeakPolarHBondContact O-CB 3.43Å; K214-T218 WeakPolarHBondContact O-CG2 3.13Å; K214-T218 PolarHBondContact O-N 3.38Å; K214-T218 VanDerWaalsContact O-N 3.1Å; K214-T218 PolarHBondContact O-OG1 2.84Å; K214-E245 PolarHBondContact NZ-O 2.94Å; K214-L246 WeakPolarHBondContact CA-O 3.23Å; K214-L246 HydrophobicContact CB-CD2 4.26Å; K214-L246 WeakPolarHBondContact CG-O 3.34Å
215S98.4Very high98.1Very high82 Ų8259.8 Ų59.857%0.57334%0.337SS*.Hα-helixtrans-65.4-29.5176.3-56.60000112.6S211 A212 I213S211-S215 WeakPolarHBondContact O-CB 3.15Å; S211-S215 PolarHBondContact O-N 2.93Å; S211-S215 PolarHBondContact O-OG 2.92Å; A212-S215 PolarHBondContact O-N 3.43Å; I213-S215 VanDerWaalsContact C-N 3.3Å; I213-S215 PolarHBondContact O-N 2.83Å
216L98.7Very high98.1Very high33 Ų3357 Ų5717%0.17333%0.327CS..Hα-helixtrans-71.3-36.3173.1176.467.8000112.1A212 I213 K214 L223 L404 I407 A408A212-L216 PolarHBondContact O-N 3.27Å; A212-L216 VanDerWaalsContact O-N 3.09Å; I213-L216 WeakPolarHBondContact O-CB 3.5Å; I213-L216 PolarHBondContact O-N 3.44Å; I213-L216 VanDerWaalsContact O-N 3.07Å; K214-L216 VanDerWaalsContact C-N 3.26Å; K214-L216 PolarHBondContact O-N 3.34Å; L216-L223 HydrophobicContact CD1-CB 3.95Å; L216-L223 HydrophobicContact CD1-CD2 4.41Å; L216-L223 HydrophobicContact CD2-CD2 3.95Å; L216-L223 HydrophobicContact CG-CB 3.97Å; L216-L223 HydrophobicContact CG-CD2 4.16Å; L216-L223 PolarHBondContact O-N 2.97Å; L216-L404 HydrophobicContact CD2-CB 4.3Å; L216-L404 HydrophobicContact CD2-CD2 4.06Å; L216-L404 WeakPolarHBondContact CD2-O 3.3Å; L216-I407 HydrophobicContact CD1-CG2 3.93Å; L216-I407 HydrophobicContact CD2-CB 4.08Å; L216-I407 HydrophobicContact CD2-CG2 3.8Å; L216-A408 HydrophobicContact CB-CB 4.19Å; L216-A408 HydrophobicContact CD2-CB 4.06Å
217L98.6Very high98.1Very high1 Ų151.1 Ų51.11%0.00530%0.296CS..Hα-helixtrans-94.22.1-173.3-60.5-178.5000114.1I213 K214 Q222 L223 I225 L246 A248 L404I213-L217 HydrophobicContact CG2-CD1 3.93Å; I213-L217 HydrophobicContact CG2-CG 4.34Å; I213-L217 WeakPolarHBondContact O-CG 3.28Å; I213-L217 PolarHBondContact O-N 2.84Å; K214-L217 PolarHBondContact O-N 3.3Å; L217-Q222 PolarHBondContact O-OE1 2.76Å; L217-L223 HydrophobicContact CD2-CB 4.35Å; L217-L223 HydrophobicContact CD2-CD2 4.46Å; L217-I225 HydrophobicContact CD1-CD1 4.3Å; L217-I225 HydrophobicContact CD2-CD1 4.02Å; L217-I225 HydrophobicContact CD2-CG2 3.69Å; L217-L246 HydrophobicContact CD1-CB 4.16Å; L217-A248 HydrophobicContact CD1-CB 4.27Å; L217-L404 HydrophobicContact CD1-CD1 4.27Å; L217-L404 HydrophobicContact CD2-CD2 4.27Å
218T98.1Very high98.1Very high52 Ų5251 Ų5132%0.31930%0.295SS..SBendtrans-135.3163.1-177.461.60000111.7K214K214-T218 HydrophobicContact CG-CG2 4.32Å; K214-T218 WeakPolarHBondContact O-CB 3.43Å; K214-T218 WeakPolarHBondContact O-CG2 3.13Å; K214-T218 PolarHBondContact O-N 3.38Å; K214-T218 VanDerWaalsContact O-N 3.1Å; K214-T218 PolarHBondContact O-OG1 2.84Å
219G95.9Very high98.1Very high45 Ų4550.7 Ų50.746%0.46429%0.294SS..SBendtrans92.3-177.6-178.900000114D221 Q222G219-D221 VanDerWaalsContact C-N 3.35Å; G219-D221 PolarHBondContact O-N 3.49Å; G219-Q222 WeakPolarHBondContact O-CB 3.42Å; G219-Q222 WeakPolarHBondContact O-CG 3.33Å; G219-Q222 PolarHBondContact O-N 2.98Å
220P94.7Very high98.1Very high129 Ų12948.2 Ų48.284%0.83828%0.28SS*.THydrogen-bonded Turntrans-67-35.1-175.225.9-33.5000112.9Q222P220-Q222 VanDerWaalsContact C-N 3.32Å
221D94.4Very high98.1Very high159 Ų15948 Ų4885%0.8528%0.28SS*.THydrogen-bonded Turntrans-97.323.8179.9-54.9-46.2000112.2G219 L223G219-D221 VanDerWaalsContact C-N 3.35Å; G219-D221 PolarHBondContact O-N 3.49Å; D221-L223 PolarHBondContact O-N 3.29Å
222Q97.6Very high98.1Very high69 Ų6944 Ų4432%0.32225%0.252SS..PPolyproline II helixtrans-56.1139.8-17864.5-177.8-15.700111.7L217 G219 P220 K224L217-Q222 PolarHBondContact O-OE1 2.76Å; G219-Q222 WeakPolarHBondContact O-CB 3.42Å; G219-Q222 WeakPolarHBondContact O-CG 3.33Å; G219-Q222 PolarHBondContact O-N 2.98Å; P220-Q222 VanDerWaalsContact C-N 3.32Å; Q222-K224 PolarHBondContact O-N 2.73Å
223L98.6Very high98.1Very high32 Ų3242.2 Ų42.217%0.16824%0.238CC..PPolyproline II helixtrans-65.9116.4168.3179.468000109.1L216 L217 D221 I225 F288 L404 I407L216-L223 HydrophobicContact CD1-CB 3.95Å; L216-L223 HydrophobicContact CD1-CD2 4.41Å; L216-L223 HydrophobicContact CD2-CD2 3.95Å; L216-L223 HydrophobicContact CG-CB 3.97Å; L216-L223 HydrophobicContact CG-CD2 4.16Å; L216-L223 PolarHBondContact O-N 2.97Å; L217-L223 HydrophobicContact CD2-CB 4.35Å; L217-L223 HydrophobicContact CD2-CD2 4.46Å; D221-L223 PolarHBondContact O-N 3.29Å; L223-I225 HydrophobicContact CB-CG2 4.49Å; L223-I225 HydrophobicContact CD2-CG2 3.82Å; L223-I225 HydrophobicContact CG-CG2 3.79Å; L223-I225 PolarHBondContact O-N 3.11Å; L223-F288 HydrophobicContact CD1-CB 4.36Å; L223-F288 HydrophobicContact CD2-CB 3.9Å; L223-F288 HydrophobicContact CG-CB 4.33Å; L223-L404 HydrophobicContact CD2-CD2 3.77Å; L223-I407 HydrophobicContact CD2-CD1 4.39Å; L223-I407 HydrophobicContact CD2-CG2 4.29Å
224K98.6Very high98.1Very high126 Ų12642.2 Ų42.255%0.54824%0.238SC..PPolyproline II helixtrans-74.6116.8171.5-66.3176.5179.4178.70109.3Q222 E285 F286 G287 F288Q222-K224 PolarHBondContact O-N 2.73Å; K224-E285 WeakPolarHBondContact CD-O 3.4Å; K224-F286 HydrophobicContact CB-CD1 4.21Å; K224-G287 PolarHBondContact O-N 3.35Å; K224-F288 PolarHBondContact O-N 2.8Å
225I98.8Very high98.1Very high2 Ų237.9 Ų37.91%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-113.2152-178.371.1176.7000112L217 L223 I227 A248 F288L217-I225 HydrophobicContact CD1-CD1 4.3Å; L217-I225 HydrophobicContact CD2-CD1 4.02Å; L217-I225 HydrophobicContact CD2-CG2 3.69Å; L223-I225 HydrophobicContact CB-CG2 4.49Å; L223-I225 HydrophobicContact CD2-CG2 3.82Å; L223-I225 HydrophobicContact CG-CG2 3.79Å; L223-I225 PolarHBondContact O-N 3.11Å; I225-I227 HydrophobicContact CB-CD1 4.33Å; I225-I227 HydrophobicContact CB-CG1 4.41Å; I225-I227 HydrophobicContact CD1-CD1 4.26Å; I225-I227 HydrophobicContact CD1-CG1 3.84Å; I225-I227 HydrophobicContact CG1-CG1 4.09Å; I225-A248 HydrophobicContact CD1-CB 3.91Å; I225-F288 CarbonylContact C-O 3.46Å; I225-F288 WeakPolarHBondContact CA-O 3.15Å; I225-F288 HydrophobicContact CB-CD1 4.27Å; I225-F288 HydrophobicContact CG2-CB 4.13Å; I225-F288 HydrophobicContact CG2-CD1 4.06Å
226H98.8Very high98.1Very high22 Ų2235.9 Ų35.910%0.10220%0.204CC..EExtended strand (participates in β ladder)trans-131.1106.4174.3-163.4111.6000110.2V254 L277 M281 F286 F288 G289 A290H226-V254 WeakPolarHBondContact NE2-CG2 3.34Å; H226-L277 HydrophobicContact CB-CD1 4.15Å; H226-L277 VanDerWaalsContact CD2-CD1 3.45Å; H226-L277 WeakPolarHBondContact CD2-CD1 3.3Å; H226-L277 WeakPolarHBondContact O-CD1 3.48Å; H226-M281 HydrophobicContact CB-SD 4.02Å; H226-F286 HydrophobicContact CB-CB 4.45Å; H226-F286 HydrophobicContact CB-CD1 3.88Å; H226-F286 HydrophobicContact CB-CD2 4.24Å; H226-F286 HydrophobicContact CB-CE1 4.15Å; H226-F286 HydrophobicContact CB-CG 3.94Å; H226-F286 HydrophobicContact CB-CZ 4.47Å; H226-F286 AromaticContact ND1-CE1 3.86Å; H226-F286 AromaticContact ND1-CE2 3.51Å; H226-F286 AromaticContact ND1-CZ 3.41Å; H226-F286 WeakPolarHBondContact ND1-CZ 3.25Å; H226-F288 PolarHBondContact N-O 3.28Å; H226-G289 CarbonylContact O-C 3.54Å; H226-G289 VanDerWaalsContact O-CA 3.23Å; H226-G289 WeakPolarHBondContact O-CA 3.3Å; H226-A290 PolarHBondContact O-N 2.62Å
227I98.8Very high98.1Very high1 Ų134.3 Ų34.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-117.1107.5-170.2-49.9-62.9000109.7I225 V238 L242 S252 V254 F288 A290 F292I225-I227 HydrophobicContact CB-CD1 4.33Å; I225-I227 HydrophobicContact CB-CG1 4.41Å; I225-I227 HydrophobicContact CD1-CD1 4.26Å; I225-I227 HydrophobicContact CD1-CG1 3.84Å; I225-I227 HydrophobicContact CG1-CG1 4.09Å; I227-V238 HydrophobicContact CB-CG1 4.17Å; I227-V238 HydrophobicContact CG2-CG1 3.91Å; I227-V238 HydrophobicContact CG2-CG2 3.74Å; I227-L242 HydrophobicContact CB-CD1 4.43Å; I227-L242 HydrophobicContact CD1-CD1 4.43Å; I227-L242 HydrophobicContact CG1-CD1 3.9Å; I227-L242 HydrophobicContact CG2-CD1 4.08Å; I227-S252 PolarHBondContact N-O 3.15Å; I227-V254 PolarHBondContact O-N 3.23Å; I227-F288 HydrophobicContact CD1-CD1 4.05Å; I227-F288 HydrophobicContact CD1-CE1 3.79Å; I227-A290 CarbonylContact C-O 3.58Å; I227-A290 WeakPolarHBondContact CA-O 3.42Å; I227-A290 HydrophobicContact CD1-CB 3.81Å; I227-F292 HydrophobicContact CG2-CD2 4.38Å; I227-F292 HydrophobicContact CG2-CE2 3.5Å; I227-F292 HydrophobicContact CG2-CZ 4.18Å
228D98.8Very high98.1Very high2 Ų234.3 Ų34.31%0.01120%0.196CC..EExtended strand (participates in β ladder)trans-96.9110.7-177.2-164.4-22.4000110.7M230 V254 N255 S276 L277 A290 A291 F292D228-M230 PolarHBondContact O-N 3.4Å; D228-M230 WeakPolarHBondContact OD1-CA 3.46Å; D228-M230 PolarHBondContact OD1-N 3.13Å; D228-V254 WeakPolarHBondContact CA-O 3.35Å; D228-N255 VanDerWaalsContact CG-ND2 3.34Å; D228-N255 VanDerWaalsContact OD1-CB 3.32Å; D228-N255 WeakPolarHBondContact OD1-CB 3.49Å; D228-N255 PolarHBondContact OD1-ND2 2.81Å; D228-N255 PolarHBondContact OD2-ND2 3.13Å; D228-N255 VanDerWaalsContact OD2-ND2 3.15Å; D228-S276 PolarHBondContact OD2-OG 2.96Å; D228-L277 HydrophobicContact CB-CB 4.36Å; D228-A290 PolarHBondContact N-O 3.36Å; D228-A291 HydrophobicContact CB-CB 4.38Å; D228-A291 VanDerWaalsContact O-CA 3.26Å; D228-A291 WeakPolarHBondContact O-CA 3.41Å; D228-F292 PolarHBondContact O-N 2.81Å; D228-F292 VanDerWaalsContact O-N 3.09Å
229A98.6Very high98.1Very high0 Ų036.9 Ų36.90%020%0.2CC..  trans-82.72.7175.700000113.4N231 G232 M234 V254A229-N231 PolarHBondContact O-N 2.97Å; A229-N231 VanDerWaalsContact O-N 3.07Å; A229-G232 PolarHBondContact O-N 3.29Å; A229-M234 HydrophobicContact CB-CB 4.08Å; A229-V254 PolarHBondContact N-O 2.96Å
230M98.4Very high98.3Very high15 Ų1538.8 Ų38.87%0.07419%0.193CC..THydrogen-bonded Turntrans49.735.2179.1-55.2-167.676.600113.6D228 G232 P266 P267 A274 A291 F292D228-M230 PolarHBondContact O-N 3.4Å; D228-M230 WeakPolarHBondContact OD1-CA 3.46Å; D228-M230 PolarHBondContact OD1-N 3.13Å; M230-G232 PolarHBondContact O-N 3.08Å; M230-P266 WeakPolarHBondContact CE-O 3.36Å; M230-P267 HydrophobicContact CB-CB 4.21Å; M230-A274 HydrophobicContact CE-CB 4.29Å; M230-A274 HydrophobicContact SD-CB 4.46Å; M230-A291 HydrophobicContact CG-CB 4.48Å; M230-A291 HydrophobicContact SD-CB 4.29Å; M230-F292 WeakPolarHBondContact CG-O 3.28Å; M230-F292 VanDerWaalsContact SD-O 3.33Å
231N98.7Very high98.5Very high25 Ų2532.6 Ų32.613%0.13415%0.153CC..THydrogen-bonded Turntrans55.820.4-175.3-64.1108.7000114.4A229 N255 V257 P258 L259 F262A229-N231 PolarHBondContact O-N 2.97Å; A229-N231 VanDerWaalsContact O-N 3.07Å; N231-N255 WeakPolarHBondContact CA-O 3.33Å; N231-N255 PolarHBondContact N-O 2.96Å; N231-V257 WeakPolarHBondContact CA-O 2.97Å; N231-V257 PolarHBondContact ND2-O 3.35Å; N231-P258 CarbonylContact O-C 3.55Å; N231-P258 VanDerWaalsContact O-CA 3.27Å; N231-P258 WeakPolarHBondContact O-CA 3.35Å; N231-L259 HydrophobicContact CB-CB 4.18Å; N231-L259 HydrophobicContact CB-CD1 4.1Å; N231-L259 HydrophobicContact CB-CG 4.13Å; N231-L259 PolarHBondContact O-N 3.36Å; N231-F262 HydrophobicContact CB-CB 4.48Å; N231-F262 WeakPolarHBondContact O-CD1 3.36Å
232G98.4Very high98.7Very high0 Ų025.1 Ų25.10%011%0.113CC..SBendtrans-93.7-165175.800000113.4A229 M230 M234 G235 P258A229-G232 PolarHBondContact O-N 3.29Å; M230-G232 PolarHBondContact O-N 3.08Å; G232-M234 PolarHBondContact O-N 3.47Å; G232-M234 VanDerWaalsContact O-N 3.14Å; G232-G235 PolarHBondContact O-N 3.08Å; G232-P258 WeakPolarHBondContact O-CG 3.38Å
233V98.8Very high98.8Very high0 Ų022.5 Ų22.50%010%0.102CC..THydrogen-bonded Turntrans-64.5-21.9-172.182.90000113.7S65 D66 L97 G235 P236 Y237 A294S65-V233 WeakPolarHBondContact O-CG2 3.38Å; D66-V233 HydrophobicContact CB-CB 4.19Å; L97-V233 HydrophobicContact CB-CG2 4.44Å; V233-G235 PolarHBondContact O-N 3.04Å; V233-P236 WeakPolarHBondContact O-CD 3.41Å; V233-Y237 HydrophobicContact CG2-CE2 4.34Å; V233-Y237 WeakPolarHBondContact O-CD2 3.36Å; V233-Y237 WeakPolarHBondContact O-CE2 3.39Å; V233-A294 VanDerWaalsContact CB-O 3.28Å; V233-A294 WeakPolarHBondContact CB-O 3.16Å; V233-A294 WeakPolarHBondContact CG1-O 3.47Å; V233-A294 PolarHBondContact N-O 3.3Å
234M98.8Very high98.8Very high1 Ų126.2 Ų26.21%0.00512%0.122CC..Hα-helixtrans-73.5-11-174.1-70.5-54-64.800113.7A229 G232 Y237 V238 F292 G296 L397A229-M234 HydrophobicContact CB-CB 4.08Å; G232-M234 PolarHBondContact O-N 3.47Å; G232-M234 VanDerWaalsContact O-N 3.14Å; M234-Y237 HydrophobicContact CE-CG 4.19Å; M234-Y237 WeakPolarHBondContact O-CB 3.44Å; M234-Y237 PolarHBondContact O-N 2.7Å; M234-Y237 VanDerWaalsContact O-N 3.08Å; M234-Y237 HydrophobicContact SD-CD2 4.16Å; M234-Y237 HydrophobicContact SD-CG 4.22Å; M234-V238 WeakPolarHBondContact O-CG2 3.44Å; M234-V238 PolarHBondContact O-N 2.78Å; M234-F292 HydrophobicContact CB-CB 4.12Å; M234-F292 HydrophobicContact CB-CD2 3.8Å; M234-F292 HydrophobicContact CB-CG 4.11Å; M234-F292 HydrophobicContact CG-CB 3.82Å; M234-F292 HydrophobicContact CG-CD2 4.11Å; M234-F292 HydrophobicContact CG-CG 3.92Å; M234-G296 VanDerWaalsContact CG-CA 3.4Å; M234-L397 HydrophobicContact CE-CB 3.46Å; M234-L397 VanDerWaalsContact CE-CB 3.46Å; M234-L397 HydrophobicContact CE-CD2 3.8Å; M234-L397 HydrophobicContact CE-CG 4.21Å
235G98.8Very high98.8Very high0 Ų022.6 Ų22.60%011%0.107CC..Hα-helixtrans-53.1-55.6-178.600000114.8G232 V233 Y237 V238 R239 C256G232-G235 PolarHBondContact O-N 3.08Å; V233-G235 PolarHBondContact O-N 3.04Å; G235-Y237 VanDerWaalsContact C-N 3.29Å; G235-Y237 PolarHBondContact O-N 2.91Å; G235-V238 PolarHBondContact O-N 3.06Å; G235-R239 WeakPolarHBondContact O-CG 3.06Å; G235-R239 PolarHBondContact O-N 3.04Å; G235-R239 VanDerWaalsContact O-N 3.1Å; G235-C256 CarbonylContact C-O 3.59Å; G235-C256 VanDerWaalsContact CA-CA 3.46Å; G235-C256 WeakPolarHBondContact CA-O 3.32Å
236P98.8Very high98.8Very high40 Ų4022.6 Ų22.626%0.2611%0.107SC..Hα-helixtrans-60-34.7174.4-26.135.4000113.8V197 V233 R240 P258V197-P236 HydrophobicContact CG2-CB 4.25Å; V233-P236 WeakPolarHBondContact O-CD 3.41Å; P236-R240 VanDerWaalsContact O-CB 3.23Å; P236-R240 WeakPolarHBondContact O-CB 3.17Å; P236-R240 PolarHBondContact O-N 3.45Å; P236-P258 HydrophobicContact CG-CG 4.1Å
237Y98.9Very high98.7Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-70.1-45.2179.8-62.6-100.9000111.2S99 A102 S196 V197 Y200 V233 M234 G235 I241S99-Y237 PolarHBondContact N-OH 3.42Å; A102-Y237 HydrophobicContact CB-CE1 3.92Å; A102-Y237 WeakPolarHBondContact CB-OH 3.5Å; S196-Y237 WeakPolarHBondContact O-CE1 3.23Å; S196-Y237 PolarHBondContact O-OH 2.89Å; V197-Y237 HydrophobicContact CB-CD1 4.36Å; V197-Y237 HydrophobicContact CB-CE1 4.47Å; V197-Y237 HydrophobicContact CG1-CD1 4.04Å; V197-Y237 HydrophobicContact CG2-CD1 3.97Å; V197-Y237 HydrophobicContact CG2-CD2 4.35Å; V197-Y237 HydrophobicContact CG2-CE1 4.15Å; V197-Y237 HydrophobicContact CG2-CG 4.08Å; Y200-Y237 AromaticContact CD1-CD1 3.73Å; Y200-Y237 HydrophobicContact CD1-CD1 3.73Å; Y200-Y237 AromaticContact CD1-CE1 3.95Å; Y200-Y237 HydrophobicContact CD1-CE1 3.95Å; Y200-Y237 HydrophobicContact CE1-CD1 4.07Å; Y200-Y237 HydrophobicContact CG-CE1 4.35Å; V233-Y237 HydrophobicContact CG2-CE2 4.34Å; V233-Y237 WeakPolarHBondContact O-CD2 3.36Å; V233-Y237 WeakPolarHBondContact O-CE2 3.39Å; M234-Y237 HydrophobicContact CE-CG 4.19Å; M234-Y237 WeakPolarHBondContact O-CB 3.44Å; M234-Y237 PolarHBondContact O-N 2.7Å; M234-Y237 VanDerWaalsContact O-N 3.08Å; M234-Y237 HydrophobicContact SD-CD2 4.16Å; M234-Y237 HydrophobicContact SD-CG 4.22Å; G235-Y237 VanDerWaalsContact C-N 3.29Å; G235-Y237 PolarHBondContact O-N 2.91Å; Y237-I241 WeakPolarHBondContact O-CB 3.46Å; Y237-I241 VanDerWaalsContact O-CG1 3.23Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 3.48Å
238V98.9Very high98.7Very high1 Ų123 Ų231%0.00612%0.118CC..Iπ-helixtrans-59.8-50176168.20000110.3I227 M234 G235 L242 C243 A253 C256 F292I227-V238 HydrophobicContact CB-CG1 4.17Å; I227-V238 HydrophobicContact CG2-CG1 3.91Å; I227-V238 HydrophobicContact CG2-CG2 3.74Å; M234-V238 WeakPolarHBondContact O-CG2 3.44Å; M234-V238 PolarHBondContact O-N 2.78Å; G235-V238 PolarHBondContact O-N 3.06Å; V238-L242 HydrophobicContact CG1-CD1 4.24Å; V238-L242 WeakPolarHBondContact O-CA 3.18Å; V238-L242 VanDerWaalsContact O-CB 3.32Å; V238-L242 WeakPolarHBondContact O-CB 3.43Å; V238-L242 PolarHBondContact O-N 3.35Å; V238-C243 PolarHBondContact O-N 3.39Å; V238-A253 HydrophobicContact CG1-CB 3.79Å; V238-C256 VanDerWaalsContact CG1-SG 3.6Å; V238-F292 HydrophobicContact CG2-CD2 4.17Å; V238-F292 HydrophobicContact CG2-CE2 3.57Å
239R98.9Very high98.7Very high105 Ų10525.1 Ų25.140%0.39613%0.131SC..Iπ-helixtrans-61.7-51.7179.6-71.6-179.6179.1150.91.1111.9G235 I241 C243 D244 A253 C256G235-R239 WeakPolarHBondContact O-CG 3.06Å; G235-R239 PolarHBondContact O-N 3.04Å; G235-R239 VanDerWaalsContact O-N 3.1Å; R239-I241 PolarHBondContact O-N 3.01Å; R239-C243 WeakPolarHBondContact O-CA 3.44Å; R239-C243 WeakPolarHBondContact O-CB 3.28Å; R239-C243 PolarHBondContact O-N 2.82Å; R239-D244 PolarHBondContact O-N 2.78Å; R239-A253 HydrophobicContact CG-CB 4.09Å; R239-C256 HydrophobicContact CG-CB 4.06Å; R239-C256 PolarHBondContact NH1-O 3.47Å; R239-C256 PolarHBondContact NH2-O 3.11Å
240R98.8Very high98.7Very high85 Ų8529.2 Ų29.232%0.32117%0.165SC..Iπ-helixtrans-67.4-41.7-176.6-177.154174-93.9-10.8112.1V197 E198 L201 P236 D244 E245V197-R240 HydrophobicContact CB-CG 4.42Å; V197-R240 HydrophobicContact CG1-CB 4.1Å; V197-R240 HydrophobicContact CG1-CG 4Å; V197-R240 HydrophobicContact CG2-CB 4.48Å; E198-R240 IonicContact OE2-NH2 2.71Å; L201-R240 HydrophobicContact CD2-CG 4.47Å; P236-R240 VanDerWaalsContact O-CB 3.23Å; P236-R240 WeakPolarHBondContact O-CB 3.17Å; P236-R240 PolarHBondContact O-N 3.45Å; R240-D244 WeakPolarHBondContact CD-OD2 3.46Å; R240-D244 WeakPolarHBondContact O-CB 3.06Å; R240-E245 IonicContact NE-OE1 3.84Å; R240-E245 WeakPolarHBondContact O-CG 3.33Å; R240-E245 PolarHBondContact O-N 3.33Å; R240-E245 VanDerWaalsContact O-N 3.15Å
241I98.9Very high98.7Very high0 Ų034.2 Ų34.20%019%0.192CC..Iπ-helixtrans-88.6-53.3-172.2-54.4-171.8000111.6V197 Y200 L201 L204 F210 Y237 R239 E245 L246 L397V197-I241 HydrophobicContact CG1-CD1 3.8Å; V197-I241 HydrophobicContact CG1-CG1 3.77Å; Y200-I241 HydrophobicContact CD1-CD1 3.97Å; Y200-I241 HydrophobicContact CE1-CD1 3.97Å; L201-I241 HydrophobicContact CB-CD1 4.1Å; L201-I241 HydrophobicContact CB-CG1 4.4Å; L201-I241 HydrophobicContact CD1-CD1 4.21Å; L201-I241 HydrophobicContact CD1-CG1 4.03Å; L201-I241 HydrophobicContact CD1-CG2 4.23Å; L204-I241 HydrophobicContact CD1-CD1 3.77Å; F210-I241 HydrophobicContact CE2-CG2 4.28Å; F210-I241 HydrophobicContact CZ-CG2 4.28Å; Y237-I241 WeakPolarHBondContact O-CB 3.46Å; Y237-I241 VanDerWaalsContact O-CG1 3.23Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 3.48Å; R239-I241 PolarHBondContact O-N 3.01Å; I241-E245 WeakPolarHBondContact O-CB 3.46Å; I241-L246 HydrophobicContact CG2-CD1 4.19Å; I241-L246 WeakPolarHBondContact O-CB 3.49Å; I241-L246 WeakPolarHBondContact O-CD1 3.24Å; I241-L246 VanDerWaalsContact O-CG 3.26Å; I241-L246 WeakPolarHBondContact O-CG 3.37Å; I241-L246 PolarHBondContact O-N 2.91Å; I241-L246 VanDerWaalsContact O-N 3.07Å; I241-L397 HydrophobicContact CB-CD2 4.37Å; I241-L397 HydrophobicContact CD1-CD2 3.85Å
242L98.9Very high98.7Very high1 Ų133.3 Ų33.31%0.00519%0.188CC..Iπ-helixtrans-78-41.4-176.2-61.5177.5000111.7I227 V238 L246 G247 A248 L397 V400 L401 L404I227-L242 HydrophobicContact CB-CD1 4.43Å; I227-L242 HydrophobicContact CD1-CD1 4.43Å; I227-L242 HydrophobicContact CG1-CD1 3.9Å; I227-L242 HydrophobicContact CG2-CD1 4.08Å; V238-L242 HydrophobicContact CG1-CD1 4.24Å; V238-L242 WeakPolarHBondContact O-CA 3.18Å; V238-L242 VanDerWaalsContact O-CB 3.32Å; V238-L242 WeakPolarHBondContact O-CB 3.43Å; V238-L242 PolarHBondContact O-N 3.35Å; L242-L246 HydrophobicContact CD2-CD1 3.86Å; L242-L246 CarbonylContact O-C 3.54Å; L242-L246 WeakPolarHBondContact O-CB 3.49Å; L242-G247 PolarHBondContact O-N 3.34Å; L242-A248 WeakPolarHBondContact O-CB 3.36Å; L242-A248 PolarHBondContact O-N 3.39Å; L242-L397 HydrophobicContact CD1-CD1 4.03Å; L242-L397 HydrophobicContact CD2-CD1 4.33Å; L242-L397 HydrophobicContact CG-CD1 4.18Å; L242-V400 HydrophobicContact CD1-CG1 4.49Å; L242-L401 HydrophobicContact CD2-CD2 3.86Å; L242-L404 HydrophobicContact CD2-CD1 4.19Å
243C98.8Very high98.7Very high15 Ų1534.1 Ų34.110%0.10119%0.194CC..Iπ-helixtrans-84.2-62.3-179.2-56.70000112.7V238 R239 G247 A248V238-C243 PolarHBondContact O-N 3.39Å; R239-C243 WeakPolarHBondContact O-CA 3.44Å; R239-C243 WeakPolarHBondContact O-CB 3.28Å; R239-C243 PolarHBondContact O-N 2.82Å; C243-G247 CarbonylContact O-C 3.59Å; C243-G247 WeakPolarHBondContact O-CA 3.4Å; C243-G247 PolarHBondContact O-N 3.25Å; C243-A248 VanDerWaalsContact CA-O 3.31Å; C243-A248 WeakPolarHBondContact CA-O 3.41Å; C243-A248 WeakPolarHBondContact CB-O 3.36Å
244D98.8Very high98.7Very high109 Ų10935.7 Ų35.758%0.58320%0.203SC*.Iπ-helixtrans-69.4-46.9-170.6-55.8-23000112.1R239 R240R239-D244 PolarHBondContact O-N 2.78Å; R240-D244 WeakPolarHBondContact CD-OD2 3.46Å; R240-D244 WeakPolarHBondContact O-CB 3.06Å
245E98.6Very high98.7Very high51 Ų5138.5 Ų38.524%0.23822%0.219CC..Iπ-helixtrans-82.1-50.3-175.5-66.1-70.7170.700112.5L201 R205 K214 R240 I241L201-E245 HydrophobicContact CD1-CG 4.35Å; L201-E245 HydrophobicContact CD2-CG 3.94Å; R205-E245 IonicContact CZ-OE2 2.73Å; R205-E245 IonicContact NH2-OE1 3.66Å; R205-E245 PolarHBondContact NH2-OE1 3.27Å; R205-E245 IonicContact NH2-OE2 3.29Å; R205-E245 PolarHBondContact NH2-OE2 3.22Å; K214-E245 PolarHBondContact NZ-O 2.94Å; R240-E245 IonicContact NE-OE1 3.84Å; R240-E245 WeakPolarHBondContact O-CG 3.33Å; R240-E245 PolarHBondContact O-N 3.33Å; R240-E245 VanDerWaalsContact O-N 3.15Å; I241-E245 WeakPolarHBondContact O-CB 3.46Å
246L98.7Very high98.7Very high1 Ų138.6 Ų38.61%0.00522%0.219CC..THydrogen-bonded Turntrans-90.8-4.3-175.4-64.8169.3000114F210 I213 K214 L217 I241 L242 L401F210-L246 HydrophobicContact CB-CD2 3.83Å; F210-L246 HydrophobicContact CD2-CD2 3.58Å; F210-L246 HydrophobicContact CD2-CG 4.11Å; F210-L246 HydrophobicContact CE2-CD2 4.24Å; F210-L246 HydrophobicContact CE2-CG 4.33Å; F210-L246 HydrophobicContact CG-CD2 3.75Å; F210-L246 WeakPolarHBondContact O-CD2 3.34Å; I213-L246 HydrophobicContact CB-CD2 4.07Å; I213-L246 HydrophobicContact CG2-CD1 3.87Å; I213-L246 HydrophobicContact CG2-CD2 4.04Å; I213-L246 HydrophobicContact CG2-CG 4.43Å; K214-L246 WeakPolarHBondContact CA-O 3.23Å; K214-L246 HydrophobicContact CB-CD2 4.26Å; K214-L246 WeakPolarHBondContact CG-O 3.34Å; L217-L246 HydrophobicContact CD1-CB 4.16Å; I241-L246 HydrophobicContact CG2-CD1 4.19Å; I241-L246 WeakPolarHBondContact O-CB 3.49Å; I241-L246 WeakPolarHBondContact O-CD1 3.24Å; I241-L246 VanDerWaalsContact O-CG 3.26Å; I241-L246 WeakPolarHBondContact O-CG 3.37Å; I241-L246 PolarHBondContact O-N 2.91Å; I241-L246 VanDerWaalsContact O-N 3.07Å; L242-L246 HydrophobicContact CD2-CD1 3.86Å; L242-L246 CarbonylContact O-C 3.54Å; L242-L246 WeakPolarHBondContact O-CB 3.49Å; L246-L401 HydrophobicContact CD1-CD2 3.69Å
247G98.5Very high98.6Very high28 Ų2840.1 Ų40.129%0.28923%0.228SC..  trans80.710.4168.500000115.8L242 C243L242-G247 PolarHBondContact O-N 3.34Å; C243-G247 CarbonylContact O-C 3.59Å; C243-G247 WeakPolarHBondContact O-CA 3.4Å; C243-G247 PolarHBondContact O-N 3.25Å
248A98.6Very high98.6Very high5 Ų541.6 Ų41.64%0.04124%0.237CC..  trans-61.2137.6175.100000110.4L217 I225 L242 C243L217-A248 HydrophobicContact CD1-CB 4.27Å; I225-A248 HydrophobicContact CD1-CB 3.91Å; L242-A248 WeakPolarHBondContact O-CB 3.36Å; L242-A248 PolarHBondContact O-N 3.39Å; C243-A248 VanDerWaalsContact CA-O 3.31Å; C243-A248 WeakPolarHBondContact CA-O 3.41Å; C243-A248 WeakPolarHBondContact CB-O 3.36Å
249P98.3Very high98.6Very high46 Ų4644.8 Ų44.830%0.29925%0.254SS..  trans-52.6145.4175.4-31.238.5000112.9N251 S252P249-N251 WeakPolarHBondContact CB-OD1 3.18Å; P249-N251 PolarHBondContact O-N 3.37Å; P249-N251 VanDerWaalsContact O-N 3.14Å; P249-S252 WeakPolarHBondContact O-CB 3.48Å; P249-S252 PolarHBondContact O-N 3.38Å; P249-S252 PolarHBondContact O-OG 2.88Å
250A98.3Very high98.6Very high85 Ų8544.3 Ų44.370%0.70226%0.256SS*.G310 helixtrans-60.4-28.1-17600000113.7S252 A253A250-S252 PolarHBondContact O-N 3.07Å; A250-A253 PolarHBondContact O-N 3.44Å
251N97.8Very high98.6Very high121 Ų12143.7 Ų43.765%0.64726%0.259SS*.G310 helixtrans-70.7-10.1174.265.1-31.7000113.6P249 A253P249-N251 WeakPolarHBondContact CB-OD1 3.18Å; P249-N251 PolarHBondContact O-N 3.37Å; P249-N251 VanDerWaalsContact O-N 3.14Å; N251-A253 PolarHBondContact O-N 3.25Å
252S98.6Very high98.5Very high6 Ų643.9 Ų43.94%0.04226%0.26CS..G310 helixtrans-66.3-26.8168.2-55.70000112.6I227 P249 A250I227-S252 PolarHBondContact N-O 3.15Å; P249-S252 WeakPolarHBondContact O-CB 3.48Å; P249-S252 PolarHBondContact O-N 3.38Å; P249-S252 PolarHBondContact O-OG 2.88Å; A250-S252 PolarHBondContact O-N 3.07Å
253A98.8Very high98.4Very high16 Ų1645.6 Ų45.613%0.13228%0.278CS..EExtended strand (participates in β ladder)trans-95.199.2-17400000111V238 R239 A250 N251 C256V238-A253 HydrophobicContact CG1-CB 3.79Å; R239-A253 HydrophobicContact CG-CB 4.09Å; A250-A253 PolarHBondContact O-N 3.44Å; N251-A253 PolarHBondContact O-N 3.25Å; A253-C256 HydrophobicContact CB-CB 4.22Å
254V98.7Very high98.2Very high33 Ų3347.9 Ų47.920%0.230%0.304CS..EExtended strand (participates in β ladder)trans-105140.6-174.3-179.50000110.5H226 I227 D228 A229 C256H226-V254 WeakPolarHBondContact NE2-CG2 3.34Å; I227-V254 PolarHBondContact O-N 3.23Å; D228-V254 WeakPolarHBondContact CA-O 3.35Å; A229-V254 PolarHBondContact N-O 2.96Å; V254-C256 PolarHBondContact O-N 2.84Å; V254-C256 PolarHBondContact O-SG 3.01Å
255N98.6Very high97.8Very high61 Ų6149.4 Ų49.433%0.32630%0.302SS..SBendtrans4933.4-175.7-57.3-35.3000113.7D228 N231 V257D228-N255 VanDerWaalsContact CG-ND2 3.34Å; D228-N255 VanDerWaalsContact OD1-CB 3.32Å; D228-N255 WeakPolarHBondContact OD1-CB 3.49Å; D228-N255 PolarHBondContact OD1-ND2 2.81Å; D228-N255 PolarHBondContact OD2-ND2 3.13Å; D228-N255 VanDerWaalsContact OD2-ND2 3.15Å; N231-N255 WeakPolarHBondContact CA-O 3.33Å; N231-N255 PolarHBondContact N-O 2.96Å; N255-V257 PolarHBondContact O-N 3Å
256C98.8Very high97.5Very high1 Ų148.8 Ų48.81%0.00730%0.302CS..  trans-85.921.7-174.3-74.90000114.4G235 V238 R239 A253 V254G235-C256 CarbonylContact C-O 3.59Å; G235-C256 VanDerWaalsContact CA-CA 3.46Å; G235-C256 WeakPolarHBondContact CA-O 3.32Å; V238-C256 VanDerWaalsContact CG1-SG 3.6Å; R239-C256 HydrophobicContact CG-CB 4.06Å; R239-C256 PolarHBondContact NH1-O 3.47Å; R239-C256 PolarHBondContact NH2-O 3.11Å; A253-C256 HydrophobicContact CB-CB 4.22Å; V254-C256 PolarHBondContact O-N 2.84Å; V254-C256 PolarHBondContact O-SG 3.01Å
257V98.7Very high97.4Very high72 Ų7248.8 Ų48.844%0.43630%0.302SS..SBendtrans-107.6115.6168.8-1760000107.2N231 N255 L259N231-V257 WeakPolarHBondContact CA-O 2.97Å; N231-V257 PolarHBondContact ND2-O 3.35Å; N255-V257 PolarHBondContact O-N 3Å; V257-L259 HydrophobicContact CG1-CD2 4.33Å; V257-L259 PolarHBondContact O-N 3.2Å
258P98.6Very high97.2Very high32 Ų3248 Ų4821%0.20829%0.291CS..  trans-59.1128.8173.9-23.633.6000111L97 N231 G232 P236L97-P258 HydrophobicContact CD1-CB 4.43Å; L97-P258 HydrophobicContact CD1-CG 4.11Å; L97-P258 HydrophobicContact CD2-CB 4.48Å; N231-P258 CarbonylContact O-C 3.55Å; N231-P258 VanDerWaalsContact O-CA 3.27Å; N231-P258 WeakPolarHBondContact O-CA 3.35Å; G232-P258 WeakPolarHBondContact O-CG 3.38Å; P236-P258 HydrophobicContact CG-CG 4.1Å
259L98.7Very high97.1Very high68 Ų6847.7 Ų47.736%0.35629%0.289SS..  trans-124.3143.9177.1-62178.2000110.1N231 V257 D261 F262N231-L259 HydrophobicContact CB-CB 4.18Å; N231-L259 HydrophobicContact CB-CD1 4.1Å; N231-L259 HydrophobicContact CB-CG 4.13Å; N231-L259 PolarHBondContact O-N 3.36Å; V257-L259 HydrophobicContact CG1-CD2 4.33Å; V257-L259 PolarHBondContact O-N 3.2Å; L259-D261 PolarHBondContact O-N 3.36Å; L259-D261 VanDerWaalsContact O-N 3.17Å; L259-F262 WeakPolarHBondContact O-CD1 3.32Å; L259-F262 PolarHBondContact O-N 3.27Å
260E98.6Very high97Very high95 Ų9545.5 Ų45.544%0.44428%0.275SS..THydrogen-bonded Turntrans-64-23.1-175.9-68.2-168.217100114G67 R68 Y69 G126G67-E260 WeakPolarHBondContact O-CA 3.42Å; R68-E260 CarbonylContact C-O 3.37Å; R68-E260 WeakPolarHBondContact CA-O 3.5Å; Y69-E260 WeakPolarHBondContact CD2-OE2 3.41Å; Y69-E260 PolarHBondContact N-O 3.11Å; G126-E260 PolarHBondContact N-O 3.41Å
261D97.9Very high96.8Very high71 Ų7144.7 Ų44.738%0.3826%0.258SS..THydrogen-bonded Turntrans-111.95.7176.871.5-17000113.2L259 G263 G264L259-D261 PolarHBondContact O-N 3.36Å; L259-D261 VanDerWaalsContact O-N 3.17Å; D261-G263 PolarHBondContact O-N 2.83Å; D261-G263 PolarHBondContact OD1-N 3.14Å; D261-G264 PolarHBondContact O-N 3.22Å
262F98.3Very high96.6Very high4 Ų442 Ų422%0.01825%0.246CC..G310 helixtrans54.730.6-174.9-46.7-63.8000114.1R68 N231 L259 G264 P267 A294R68-F262 HydrophobicContact CB-CE1 4.44Å; R68-F262 HydrophobicContact CB-CE2 4.01Å; R68-F262 HydrophobicContact CB-CZ 3.62Å; N231-F262 HydrophobicContact CB-CB 4.48Å; N231-F262 WeakPolarHBondContact O-CD1 3.36Å; L259-F262 WeakPolarHBondContact O-CD1 3.32Å; L259-F262 PolarHBondContact O-N 3.27Å; F262-G264 VanDerWaalsContact C-N 3.31Å; F262-P267 HydrophobicContact CB-CB 4.34Å; F262-P267 HydrophobicContact CB-CG 4.42Å; F262-P267 HydrophobicContact CD1-CG 4.44Å; F262-P267 HydrophobicContact CD2-CB 4.36Å; F262-P267 HydrophobicContact CD2-CG 3.62Å; F262-P267 HydrophobicContact CE2-CG 3.85Å; F262-P267 HydrophobicContact CG-CB 4.16Å; F262-P267 HydrophobicContact CG-CG 3.92Å; F262-P267 HydrophobicContact CZ-CG 4.35Å; F262-A294 HydrophobicContact CE1-CB 3.94Å; F262-A294 HydrophobicContact CE2-CB 4.32Å; F262-A294 HydrophobicContact CZ-CB 3.68Å
263G96.3Very high96.4Very high38 Ų3845 Ų4539%0.39226%0.257SS..G310 helixtrans73.723.1-175.900000113.4D261 R265D261-G263 PolarHBondContact O-N 2.83Å; D261-G263 PolarHBondContact OD1-N 3.14Å; G263-R265 VanDerWaalsContact C-N 3.32Å; G263-R265 PolarHBondContact O-N 2.94Å
264G94.4Very high96.2Very high62 Ų6244.2 Ų44.264%0.63925%0.25SS*.G310 helixtrans75.515.3176.900000114.6D261 F262D261-G264 PolarHBondContact O-N 3.22Å; F262-G264 VanDerWaalsContact C-N 3.31Å
265R90.6Very high96.1Very high141 Ų14145.5 Ų45.553%0.53226%0.258SS..SBendtrans-124.3150.2-178.7-63.2-177.9-176.1-176.70.8111.3G263 P267G263-R265 VanDerWaalsContact C-N 3.32Å; G263-R265 PolarHBondContact O-N 2.94Å; R265-P267 WeakPolarHBondContact O-CD 3.28Å
266P92.6Very high96Very high38 Ų3844.8 Ų44.825%0.24726%0.258CS..  trans-60.9125170.5-22.934.9000110.6M230 E268 Y273M230-P266 WeakPolarHBondContact CE-O 3.36Å; P266-E268 PolarHBondContact O-N 3.27Å; P266-Y273 HydrophobicContact CB-CD1 4.13Å; P266-Y273 HydrophobicContact CB-CE1 4.3Å; P266-Y273 HydrophobicContact CB-CG 4.39Å; P266-Y273 HydrophobicContact CG-CD1 3.95Å; P266-Y273 HydrophobicContact CG-CE1 3.87Å
267P95.9Very high95.9Very high1 Ų144.7 Ų44.71%0.00626%0.258CS..  trans-80.363.617734.7-37000110H122 M230 F262 R265 D293 A294H122-P267 WeakPolarHBondContact CA-O 3.14Å; M230-P267 HydrophobicContact CB-CB 4.21Å; F262-P267 HydrophobicContact CB-CB 4.34Å; F262-P267 HydrophobicContact CB-CG 4.42Å; F262-P267 HydrophobicContact CD1-CG 4.44Å; F262-P267 HydrophobicContact CD2-CB 4.36Å; F262-P267 HydrophobicContact CD2-CG 3.62Å; F262-P267 HydrophobicContact CE2-CG 3.85Å; F262-P267 HydrophobicContact CG-CB 4.16Å; F262-P267 HydrophobicContact CG-CG 3.92Å; F262-P267 HydrophobicContact CZ-CG 4.35Å; R265-P267 WeakPolarHBondContact O-CD 3.28Å; P267-D293 WeakPolarHBondContact O-CA 3.49Å; P267-D293 VanDerWaalsContact O-CB 3.28Å; P267-D293 WeakPolarHBondContact O-CB 3.37Å; P267-A294 HydrophobicContact CB-CB 4.07Å; P267-A294 HydrophobicContact CG-CB 3.63Å
268E95.1Very high95.9Very high11 Ų1141.9 Ų41.95%0.05124%0.241CC..  trans-115.3117.3-179.5-167.8166.2-15300111.6H122 P266 N270 Y273 R298H122-E268 HydrophobicContact CB-CB 3.81Å; H122-E268 HydrophobicContact CB-CG 3.73Å; H122-E268 IonicContact CD2-OE1 3.34Å; H122-E268 PolarHBondContact CD2-OE1 2.95Å; H122-E268 IonicContact CD2-OE2 2.61Å; H122-E268 IonicContact CG-OE1 2.7Å; P266-E268 PolarHBondContact O-N 3.27Å; E268-N270 WeakPolarHBondContact CG-ND2 3.35Å; E268-N270 PolarHBondContact O-N 2.95Å; E268-N270 PolarHBondContact OE2-ND2 3.49Å; E268-Y273 HydrophobicContact CB-CD2 3.79Å; E268-Y273 HydrophobicContact CB-CE2 4.49Å; E268-Y273 HydrophobicContact CB-CG 4.36Å; E268-Y273 HydrophobicContact CG-CD2 4.27Å; E268-Y273 WeakPolarHBondContact O-CB 3.14Å; E268-Y273 WeakPolarHBondContact OE2-CD2 3.49Å; E268-Y273 WeakPolarHBondContact OE2-CE2 3.21Å; E268-R298 IonicContact OE1-NH1 2.72Å
269P96.4Very high95.9Very high0 Ų045.2 Ų45.20%026%0.257CS..  trans-81.381.8-175.832.9-36.1000110.3A291 D293 R298 M300 F384P269-A291 HydrophobicContact CB-CB 3.8Å; P269-A291 WeakPolarHBondContact CB-O 3.34Å; P269-D293 HydrophobicContact CG-CB 4.17Å; P269-R298 HydrophobicContact CG-CB 3.86Å; P269-M300 HydrophobicContact CB-CB 3.92Å; P269-M300 WeakPolarHBondContact O-CB 3.05Å; P269-F384 WeakPolarHBondContact O-CD1 3.33Å; P269-F384 WeakPolarHBondContact O-CE1 3.47Å; P269-F384 WeakPolarHBondContact O-CG 3.38Å; P269-F384 WeakPolarHBondContact O-CZ 3.37Å
270N95.2Very high95.8Very high0 Ų043.3 Ų43.30%025%0.25CS..SBendtrans-143.7170.9171.56838.8000111E268 T272 Y273 A274 F384E268-N270 WeakPolarHBondContact CG-ND2 3.35Å; E268-N270 PolarHBondContact O-N 2.95Å; E268-N270 PolarHBondContact OE2-ND2 3.49Å; N270-T272 PolarHBondContact O-N 3.47Å; N270-T272 VanDerWaalsContact O-N 3.11Å; N270-T272 WeakPolarHBondContact OD1-CA 3.46Å; N270-T272 VanDerWaalsContact OD1-CB 3.25Å; N270-T272 WeakPolarHBondContact OD1-CB 3.48Å; N270-T272 PolarHBondContact OD1-N 3.02Å; N270-Y273 WeakPolarHBondContact ND2-CD2 3.44Å; N270-Y273 PolarHBondContact O-N 2.67Å; N270-Y273 WeakPolarHBondContact OD1-CD2 3.21Å; N270-Y273 PolarHBondContact OD1-N 2.9Å; N270-A274 WeakPolarHBondContact O-CB 3.28Å; N270-A274 PolarHBondContact O-N 2.86Å; N270-F384 HydrophobicContact CB-CE2 3.64Å; N270-F384 HydrophobicContact CB-CZ 3.66Å
271L94.9Very high95.8Very high68 Ų6838.8 Ų38.836%0.35623%0.229SC..THydrogen-bonded Turntrans-62.8-18.8-177.8-61.4178.7000113.9V278 M300 L302 F308L271-V278 HydrophobicContact CD2-CG2 3.78Å; L271-M300 HydrophobicContact CD2-SD 4.01Å; L271-M300 HydrophobicContact CG-SD 4.43Å; L271-L302 HydrophobicContact CD2-CD2 4.12Å; L271-F308 HydrophobicContact CD1-CB 4.28Å; L271-F308 HydrophobicContact CD1-CD1 4.05Å; L271-F308 HydrophobicContact CD1-CD2 4.05Å; L271-F308 HydrophobicContact CD1-CE1 4.35Å; L271-F308 HydrophobicContact CD1-CE2 4.37Å; L271-F308 HydrophobicContact CD1-CG 3.87Å; L271-F308 HydrophobicContact CD2-CB 4.38Å; L271-F308 HydrophobicContact CD2-CD2 3.75Å; L271-F308 HydrophobicContact CD2-CE2 4.29Å; L271-F308 HydrophobicContact CD2-CG 4.2Å; L271-F308 HydrophobicContact CG-CD2 3.96Å; L271-F308 HydrophobicContact CG-CE2 4.1Å; L271-F308 HydrophobicContact CG-CG 4.3Å
272T93.3Very high95.8Very high63 Ų6341.6 Ų41.639%0.38724%0.238SC..THydrogen-bonded Turntrans-83-40.3-179.7-56.80000112.1N270 T275N270-T272 PolarHBondContact O-N 3.47Å; N270-T272 VanDerWaalsContact O-N 3.11Å; N270-T272 WeakPolarHBondContact OD1-CA 3.46Å; N270-T272 VanDerWaalsContact OD1-CB 3.25Å; N270-T272 WeakPolarHBondContact OD1-CB 3.48Å; N270-T272 PolarHBondContact OD1-N 3.02Å; T272-T275 VanDerWaalsContact O-CG2 3.31Å; T272-T275 WeakPolarHBondContact O-CG2 3.44Å
273Y93.6Very high95.7Very high69 Ų6944.1 Ų44.127%0.27127%0.265SS..THydrogen-bonded Turntrans-105.6-30.1-172.9-63.3-67.4000114P266 E268 N270 T275 V566P266-Y273 HydrophobicContact CB-CD1 4.13Å; P266-Y273 HydrophobicContact CB-CE1 4.3Å; P266-Y273 HydrophobicContact CB-CG 4.39Å; P266-Y273 HydrophobicContact CG-CD1 3.95Å; P266-Y273 HydrophobicContact CG-CE1 3.87Å; E268-Y273 HydrophobicContact CB-CD2 3.79Å; E268-Y273 HydrophobicContact CB-CE2 4.49Å; E268-Y273 HydrophobicContact CB-CG 4.36Å; E268-Y273 HydrophobicContact CG-CD2 4.27Å; E268-Y273 WeakPolarHBondContact O-CB 3.14Å; E268-Y273 WeakPolarHBondContact OE2-CD2 3.49Å; E268-Y273 WeakPolarHBondContact OE2-CE2 3.21Å; N270-Y273 WeakPolarHBondContact ND2-CD2 3.44Å; N270-Y273 PolarHBondContact O-N 2.67Å; N270-Y273 WeakPolarHBondContact OD1-CD2 3.21Å; N270-Y273 PolarHBondContact OD1-N 2.9Å; Y273-T275 PolarHBondContact O-N 3.3Å; Y273-T275 VanDerWaalsContact O-N 3.08Å; Y273-V566 HydrophobicContact CE2-CG2 4.42Å
274A95.9Very high95.6Very high0 Ų043.5 Ų43.50%026%0.259CS..  trans-8644.3176.900000112M230 N270 S276 L277 V278 A291 M300M230-A274 HydrophobicContact CE-CB 4.29Å; M230-A274 HydrophobicContact SD-CB 4.46Å; N270-A274 WeakPolarHBondContact O-CB 3.28Å; N270-A274 PolarHBondContact O-N 2.86Å; A274-S276 PolarHBondContact O-N 3.05Å; A274-L277 PolarHBondContact O-N 2.86Å; A274-V278 WeakPolarHBondContact O-CG2 3.44Å; A274-V278 PolarHBondContact O-N 3.37Å; A274-V278 VanDerWaalsContact O-N 3.11Å; A274-A291 HydrophobicContact CB-CB 4.12Å; A274-M300 HydrophobicContact CB-CE 3.66Å
275T96.1Very high95.7Very high60 Ų6047 Ų4737%0.36826%0.259SS..Hα-helixtrans-63.1-38.8-173.152.10000112.9T272 Y273 L277 V278 D279T272-T275 VanDerWaalsContact O-CG2 3.31Å; T272-T275 WeakPolarHBondContact O-CG2 3.44Å; Y273-T275 PolarHBondContact O-N 3.3Å; Y273-T275 VanDerWaalsContact O-N 3.08Å; T275-L277 VanDerWaalsContact C-N 3.31Å; T275-L277 PolarHBondContact O-N 3.42Å; T275-V278 PolarHBondContact O-N 2.72Å; T275-V278 VanDerWaalsContact O-N 3.17Å; T275-D279 WeakPolarHBondContact O-CB 3.5Å; T275-D279 VanDerWaalsContact O-CG 3.29Å; T275-D279 PolarHBondContact O-N 2.89Å
276S95.8Very high96.1Very high46 Ų4641.9 Ų41.932%0.32224%0.24SC..Hα-helixtrans-58.2-42.5176.544.50000112.5D228 A274 A280D228-S276 PolarHBondContact OD2-OG 2.96Å; A274-S276 PolarHBondContact O-N 3.05Å; S276-A280 WeakPolarHBondContact O-CB 3.33Å; S276-A280 PolarHBondContact O-N 3Å
277L98.1Very high96.3Very high0 Ų041 Ų410%024%0.238CC..Hα-helixtrans-65.9-47.5175.5170.566.1000110.6H226 D228 A274 T275 D279 A280 M281 A290 A291 M300 L302H226-L277 HydrophobicContact CB-CD1 4.15Å; H226-L277 VanDerWaalsContact CD2-CD1 3.45Å; H226-L277 WeakPolarHBondContact CD2-CD1 3.3Å; H226-L277 WeakPolarHBondContact O-CD1 3.48Å; D228-L277 HydrophobicContact CB-CB 4.36Å; A274-L277 PolarHBondContact O-N 2.86Å; T275-L277 VanDerWaalsContact C-N 3.31Å; T275-L277 PolarHBondContact O-N 3.42Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 2.68Å; L277-A280 PolarHBondContact O-N 2.89Å; L277-M281 HydrophobicContact CD1-CG 3.89Å; L277-M281 HydrophobicContact CD1-SD 4.33Å; L277-M281 HydrophobicContact CG-CG 4.36Å; L277-M281 VanDerWaalsContact O-CG 3.28Å; L277-M281 WeakPolarHBondContact O-CG 3.17Å; L277-M281 PolarHBondContact O-N 2.92Å; L277-A290 VanDerWaalsContact CD2-C 3.45Å; L277-A291 HydrophobicContact CD2-CB 3.61Å; L277-M300 HydrophobicContact CD2-CE 3.85Å; L277-L302 HydrophobicContact CD2-CD1 4.09Å; L277-L302 HydrophobicContact CG-CD1 3.88Å
278V97.9Very high96.5Very high13 Ų1340.9 Ų40.98%0.07924%0.238CC..Hα-helixtrans-59-44.1-179.9173.70000111.2L271 A274 T275 M281 K282 M300 L302L271-V278 HydrophobicContact CD2-CG2 3.78Å; A274-V278 WeakPolarHBondContact O-CG2 3.44Å; A274-V278 PolarHBondContact O-N 3.37Å; A274-V278 VanDerWaalsContact O-N 3.11Å; T275-V278 PolarHBondContact O-N 2.72Å; T275-V278 VanDerWaalsContact O-N 3.17Å; V278-M281 PolarHBondContact O-N 2.95Å; V278-K282 HydrophobicContact CG1-CD 4.15Å; V278-K282 WeakPolarHBondContact O-CB 3.22Å; V278-K282 WeakPolarHBondContact O-CG 3.37Å; V278-K282 PolarHBondContact O-N 3.06Å; V278-M300 HydrophobicContact CG2-CE 4.41Å; V278-L302 HydrophobicContact CG2-CD1 3.9Å
279D97.9Very high96.7Very high102 Ų10240.4 Ų40.455%0.54524%0.235SC..Hα-helixtrans-65.5-41.2179-68.6-22.1000111.6T275 L277 K282 G283T275-D279 WeakPolarHBondContact O-CB 3.5Å; T275-D279 VanDerWaalsContact O-CG 3.29Å; T275-D279 PolarHBondContact O-N 2.89Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 2.68Å; D279-K282 PolarHBondContact O-N 2.74Å; D279-G283 PolarHBondContact O-N 2.67Å
280A98.1Very high96.8Very high27 Ų2740.4 Ų40.422%0.22324%0.235CC..Hα-helixtrans-62.1-43.4174.200000112.1S276 L277 G283 F286S276-A280 WeakPolarHBondContact O-CB 3.33Å; S276-A280 PolarHBondContact O-N 3Å; L277-A280 PolarHBondContact O-N 2.89Å; A280-G283 PolarHBondContact O-N 2.85Å; A280-F286 HydrophobicContact CB-CE2 4.28Å
281M98.4Very high97Very high0 Ų040.4 Ų40.40%024%0.235CC..Hα-helixtrans-68-34.6178.8-66.6-54.5-60.600112.6H226 L277 V278 G283 G284 F286 G289 L302 G303 N305 G306H226-M281 HydrophobicContact CB-SD 4.02Å; L277-M281 HydrophobicContact CD1-CG 3.89Å; L277-M281 HydrophobicContact CD1-SD 4.33Å; L277-M281 HydrophobicContact CG-CG 4.36Å; L277-M281 VanDerWaalsContact O-CG 3.28Å; L277-M281 WeakPolarHBondContact O-CG 3.17Å; L277-M281 PolarHBondContact O-N 2.92Å; V278-M281 PolarHBondContact O-N 2.95Å; M281-G283 PolarHBondContact O-N 2.59Å; M281-G284 PolarHBondContact O-N 3.31Å; M281-F286 HydrophobicContact CE-CB 3.75Å; M281-F286 VanDerWaalsContact CE-O 3.32Å; M281-F286 WeakPolarHBondContact CE-O 3.24Å; M281-F286 HydrophobicContact SD-CB 3.5Å; M281-F286 WeakPolarHBondContact SD-CB 3.19Å; M281-F286 HydrophobicContact SD-CD2 4.36Å; M281-F286 HydrophobicContact SD-CG 4.19Å; M281-G289 VanDerWaalsContact SD-CA 3.54Å; M281-L302 HydrophobicContact CB-CD1 4.16Å; M281-L302 HydrophobicContact CE-CB 4.45Å; M281-L302 HydrophobicContact CG-CB 3.99Å; M281-L302 HydrophobicContact CG-CD1 3.78Å; M281-G303 WeakPolarHBondContact CE-O 3.49Å; M281-N305 CarbonylContact O-C 3.56Å; M281-N305 VanDerWaalsContact O-CA 3.26Å; M281-N305 WeakPolarHBondContact O-CA 2.99Å; M281-N305 PolarHBondContact O-N 3.04Å; M281-G306 PolarHBondContact O-N 3.24Å
282K97.4Very high97.1Very high130 Ų13037.1 Ų37.157%0.56522%0.218SC*.Hα-helixtrans-65.2-19.6173.7-78.5175178.9171.90113.5V278 D279 G284V278-K282 HydrophobicContact CG1-CD 4.15Å; V278-K282 WeakPolarHBondContact O-CB 3.22Å; V278-K282 WeakPolarHBondContact O-CG 3.37Å; V278-K282 PolarHBondContact O-N 3.06Å; D279-K282 PolarHBondContact O-N 2.74Å; K282-G284 PolarHBondContact O-N 2.92Å
283G95.5Very high97.4Very high57 Ų5734.1 Ų34.159%0.58820%0.2SC*.THydrogen-bonded Turntrans-66-14.1173.800000114.2D279 A280 M281 E285D279-G283 PolarHBondContact O-N 2.67Å; A280-G283 PolarHBondContact O-N 2.85Å; M281-G283 PolarHBondContact O-N 2.59Å; G283-E285 PolarHBondContact O-N 3.02Å
284G94.4Very high97.6Very high25 Ų2530.9 Ų30.926%0.25819%0.187SC..THydrogen-bonded Turntrans772.8176.300000114.9M281 K282 N305M281-G284 PolarHBondContact O-N 3.31Å; K282-G284 PolarHBondContact O-N 2.92Å; G284-N305 WeakPolarHBondContact CA-OD1 3.42Å
285E96.4Very high97.7Very high136 Ų13630.9 Ų30.964%0.63619%0.187SC*.  trans-81.4-23.2-179.2-62.9-169.2163.100113.8K224 G283K224-E285 WeakPolarHBondContact CD-O 3.4Å; G283-E285 PolarHBondContact O-N 3.02Å
286F98.4Very high97.8Very high33 Ų3328 Ų2815%0.14517%0.169CC..  trans-111.8132.6-172.9-58.1-78.4000110.7K224 H226 A280 M281 E304K224-F286 HydrophobicContact CB-CD1 4.21Å; H226-F286 HydrophobicContact CB-CB 4.45Å; H226-F286 HydrophobicContact CB-CD1 3.88Å; H226-F286 HydrophobicContact CB-CD2 4.24Å; H226-F286 HydrophobicContact CB-CE1 4.15Å; H226-F286 HydrophobicContact CB-CG 3.94Å; H226-F286 HydrophobicContact CB-CZ 4.47Å; H226-F286 AromaticContact ND1-CE1 3.86Å; H226-F286 AromaticContact ND1-CE2 3.51Å; H226-F286 AromaticContact ND1-CZ 3.41Å; H226-F286 WeakPolarHBondContact ND1-CZ 3.25Å; A280-F286 HydrophobicContact CB-CE2 4.28Å; M281-F286 HydrophobicContact CE-CB 3.75Å; M281-F286 VanDerWaalsContact CE-O 3.32Å; M281-F286 WeakPolarHBondContact CE-O 3.24Å; M281-F286 HydrophobicContact SD-CB 3.5Å; M281-F286 WeakPolarHBondContact SD-CB 3.19Å; M281-F286 HydrophobicContact SD-CD2 4.36Å; M281-F286 HydrophobicContact SD-CG 4.19Å; F286-E304 WeakPolarHBondContact O-CA 3.21Å
287G98.4Very high97.9Very high19 Ų1925.9 Ų25.920%0.19616%0.155CC..SBendtrans-86.9-15.9177.600000113.8K224K224-G287 PolarHBondContact O-N 3.35Å
288F98.9Very high97.9Very high0 Ų026.7 Ų26.70%016%0.157CC..EExtended strand (participates in β ladder)trans-150.6131.6-179.7178.1-89.2000111.2L223 K224 I225 H226 I227 A290 I301 V400 W403 L404 I407 V414L223-F288 HydrophobicContact CD1-CB 4.36Å; L223-F288 HydrophobicContact CD2-CB 3.9Å; L223-F288 HydrophobicContact CG-CB 4.33Å; K224-F288 PolarHBondContact O-N 2.8Å; I225-F288 CarbonylContact C-O 3.46Å; I225-F288 WeakPolarHBondContact CA-O 3.15Å; I225-F288 HydrophobicContact CB-CD1 4.27Å; I225-F288 HydrophobicContact CG2-CB 4.13Å; I225-F288 HydrophobicContact CG2-CD1 4.06Å; H226-F288 PolarHBondContact N-O 3.28Å; I227-F288 HydrophobicContact CD1-CD1 4.05Å; I227-F288 HydrophobicContact CD1-CE1 3.79Å; F288-A290 HydrophobicContact CE1-CB 4.07Å; F288-A290 HydrophobicContact CZ-CB 4.41Å; F288-I301 HydrophobicContact CD2-CG2 4.31Å; F288-I301 HydrophobicContact CE2-CD1 4.04Å; F288-I301 HydrophobicContact CE2-CG2 3.72Å; F288-I301 HydrophobicContact CZ-CD1 3.66Å; F288-I301 HydrophobicContact CZ-CG2 4.39Å; F288-V400 HydrophobicContact CE1-CG1 3.91Å; F288-V400 HydrophobicContact CZ-CG1 4.04Å; F288-V400 HydrophobicContact CZ-CG2 4.44Å; F288-W403 HydrophobicContact CE2-CB 3.85Å; F288-W403 HydrophobicContact CE2-CG 4.4Å; F288-W403 HydrophobicContact CZ-CB 4.2Å; F288-L404 HydrophobicContact CD1-CD2 4.21Å; F288-L404 HydrophobicContact CE1-CD2 4.25Å; F288-L404 HydrophobicContact CG-CD2 4.39Å; F288-L404 HydrophobicContact CZ-CD2 4.47Å; F288-I407 HydrophobicContact CD2-CD1 3.76Å; F288-I407 HydrophobicContact CE2-CD1 4.22Å; F288-V414 HydrophobicContact CD2-CG2 3.75Å
289G98.9Very high98Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-127.8145.7176.300000111.1H226 M281 L302H226-G289 CarbonylContact O-C 3.54Å; H226-G289 VanDerWaalsContact O-CA 3.23Å; H226-G289 WeakPolarHBondContact O-CA 3.3Å; M281-G289 VanDerWaalsContact SD-CA 3.54Å; G289-L302 PolarHBondContact N-O 3.07Å; G289-L302 PolarHBondContact O-N 3.31Å
290A98.9Very high98Very high0 Ų021.4 Ų21.40%013%0.128CC..EExtended strand (participates in β ladder)trans-143.8148.7171.600000112.5H226 I227 D228 L277 F288 M300 I301 V400H226-A290 PolarHBondContact O-N 2.62Å; I227-A290 CarbonylContact C-O 3.58Å; I227-A290 WeakPolarHBondContact CA-O 3.42Å; I227-A290 HydrophobicContact CD1-CB 3.81Å; D228-A290 PolarHBondContact N-O 3.36Å; L277-A290 VanDerWaalsContact CD2-C 3.45Å; F288-A290 HydrophobicContact CE1-CB 4.07Å; F288-A290 HydrophobicContact CZ-CB 4.41Å; A290-M300 WeakPolarHBondContact CA-O 3.41Å; A290-M300 WeakPolarHBondContact CB-O 3.2Å; A290-I301 HydrophobicContact CB-CD1 4Å; A290-V400 HydrophobicContact CB-CG2 3.6Å
291A98.9Very high98Very high0 Ų020.2 Ų20.20%012%0.118CC..EExtended strand (participates in β ladder)trans-125.7149.7169.800000110.6D228 M230 P269 A274 L277 Y299 M300D228-A291 HydrophobicContact CB-CB 4.38Å; D228-A291 VanDerWaalsContact O-CA 3.26Å; D228-A291 WeakPolarHBondContact O-CA 3.41Å; M230-A291 HydrophobicContact CG-CB 4.48Å; M230-A291 HydrophobicContact SD-CB 4.29Å; P269-A291 HydrophobicContact CB-CB 3.8Å; P269-A291 WeakPolarHBondContact CB-O 3.34Å; A274-A291 HydrophobicContact CB-CB 4.12Å; L277-A291 HydrophobicContact CD2-CB 3.61Å; A291-Y299 CarbonylContact O-C 3.38Å; A291-Y299 WeakPolarHBondContact O-CA 3.21Å; A291-M300 HydrophobicContact CB-CE 4.4Å; A291-M300 PolarHBondContact N-O 2.77Å; A291-M300 VanDerWaalsContact N-O 3.14Å; A291-M300 PolarHBondContact O-N 2.95Å
292F98.8Very high98.1Very high0 Ų020.2 Ų20.20%012%0.118CC..EExtended strand (participates in β ladder)trans-117.2156.5175.1-55.9-66.5000111.9I227 D228 M230 M234 V238 R298 G396 L397 V400I227-F292 HydrophobicContact CG2-CD2 4.38Å; I227-F292 HydrophobicContact CG2-CE2 3.5Å; I227-F292 HydrophobicContact CG2-CZ 4.18Å; D228-F292 PolarHBondContact O-N 2.81Å; D228-F292 VanDerWaalsContact O-N 3.09Å; M230-F292 WeakPolarHBondContact CG-O 3.28Å; M230-F292 VanDerWaalsContact SD-O 3.33Å; M234-F292 HydrophobicContact CB-CB 4.12Å; M234-F292 HydrophobicContact CB-CD2 3.8Å; M234-F292 HydrophobicContact CB-CG 4.11Å; M234-F292 HydrophobicContact CG-CB 3.82Å; M234-F292 HydrophobicContact CG-CD2 4.11Å; M234-F292 HydrophobicContact CG-CG 3.92Å; V238-F292 HydrophobicContact CG2-CD2 4.17Å; V238-F292 HydrophobicContact CG2-CE2 3.57Å; F292-R298 WeakPolarHBondContact CA-O 3.22Å; F292-G396 WeakPolarHBondContact CE1-O 3.32Å; F292-L397 HydrophobicContact CE1-CB 4.38Å; F292-L397 HydrophobicContact CZ-CB 4.3Å; F292-L397 HydrophobicContact CZ-CD1 4.07Å; F292-V400 HydrophobicContact CE1-CG2 3.72Å; F292-V400 HydrophobicContact CZ-CB 4.37Å; F292-V400 HydrophobicContact CZ-CG2 3.69Å
293D98.4Very high98.1Very high0 Ų014 Ų140%09%0.091CC..  trans-82.7178.9167.479-32.9000112.6S121 P267 P269 D295 G296 D297 R298S121-D293 PolarHBondContact OG-OD2 2.95Å; P267-D293 WeakPolarHBondContact O-CA 3.49Å; P267-D293 VanDerWaalsContact O-CB 3.28Å; P267-D293 WeakPolarHBondContact O-CB 3.37Å; P269-D293 HydrophobicContact CG-CB 4.17Å; D293-D295 VanDerWaalsContact C-N 3.34Å; D293-D295 PolarHBondContact O-N 3.31Å; D293-D295 VanDerWaalsContact OD2-OD1 3.08Å; D293-G296 PolarHBondContact O-N 3.48Å; D293-G296 PolarHBondContact OD1-N 2.8Å; D293-G296 VanDerWaalsContact OD1-N 3.13Å; D293-D297 PolarHBondContact OD1-N 2.67Å; D293-R298 HydrophobicContact CB-CB 4.01Å; D293-R298 PolarHBondContact OD1-N 3.02Å
294A98.3Very high98.3Very high0 Ų016 Ų160%09%0.086CC..THydrogen-bonded Turntrans-53.4-46.8-172.500000113.7D66 S121 V233 F262 P267D66-A294 HydrophobicContact CB-CB 4.12Å; D66-A294 WeakPolarHBondContact CB-O 3.44Å; D66-A294 WeakPolarHBondContact OD2-CB 3.48Å; S121-A294 WeakPolarHBondContact O-CB 3.34Å; V233-A294 VanDerWaalsContact CB-O 3.28Å; V233-A294 WeakPolarHBondContact CB-O 3.16Å; V233-A294 WeakPolarHBondContact CG1-O 3.47Å; V233-A294 PolarHBondContact N-O 3.3Å; F262-A294 HydrophobicContact CE1-CB 3.94Å; F262-A294 HydrophobicContact CE2-CB 4.32Å; F262-A294 HydrophobicContact CZ-CB 3.68Å; P267-A294 HydrophobicContact CB-CB 4.07Å; P267-A294 HydrophobicContact CG-CB 3.63Å
295D98.4Very high98.4Very high0 Ų019.4 Ų19.40%010%0.098CC..THydrogen-bonded Turntrans-98.22.7-17662-41.7000114.4D66 S99 T100 T119 S121 K134 D293 D297D66-D295 HydrophobicContact CB-CB 4.18Å; S99-D295 WeakPolarHBondContact CB-O 3.38Å; T100-D295 WeakPolarHBondContact CB-OD2 3.33Å; T100-D295 PolarHBondContact N-O 3.39Å; T100-D295 WeakPolarHBondContact OG1-CB 2.94Å; T100-D295 PolarHBondContact OG1-OD2 3.49Å; T119-D295 HydrophobicContact CG2-CB 4.01Å; T119-D295 WeakPolarHBondContact OG1-CB 3.41Å; S121-D295 WeakPolarHBondContact CA-OD1 3.31Å; S121-D295 VanDerWaalsContact CB-OD1 3.24Å; S121-D295 WeakPolarHBondContact CB-OD1 3.3Å; K134-D295 IonicContact NZ-OD2 3.41Å; K134-D295 PolarHBondContact NZ-OD2 2.67Å; D293-D295 VanDerWaalsContact C-N 3.34Å; D293-D295 PolarHBondContact O-N 3.31Å; D293-D295 VanDerWaalsContact OD2-OD1 3.08Å; D295-D297 VanDerWaalsContact C-N 3.34Å; D295-D297 PolarHBondContact O-N 3.49Å
296G98.3Very high98.5Very high0 Ų013.7 Ų13.70%08%0.075CC..SBendtrans77.414.2169.900000115.4M234 D293 G396M234-G296 VanDerWaalsContact CG-CA 3.4Å; D293-G296 PolarHBondContact O-N 3.48Å; D293-G296 PolarHBondContact OD1-N 2.8Å; D293-G296 VanDerWaalsContact OD1-N 3.13Å; G296-G396 PolarHBondContact O-N 2.91Å; G296-G396 VanDerWaalsContact O-N 3.08Å
297D97.8Very high98.5Very high2 Ų213.4 Ų13.41%0.0117%0.074CC..SBendtrans-89.9-13.9178.987.1-2.6000112.1T100 K134 D293 D295 K394T100-D297 HydrophobicContact CG2-CB 4.12Å; K134-D297 IonicContact NZ-OD2 3.89Å; D293-D297 PolarHBondContact OD1-N 2.67Å; D295-D297 VanDerWaalsContact C-N 3.34Å; D295-D297 PolarHBondContact O-N 3.49Å; D297-K394 HydrophobicContact CB-CB 4.06Å; D297-K394 WeakPolarHBondContact O-CB 3.22Å; D297-K394 WeakPolarHBondContact OD1-CE 3.49Å; D297-K394 WeakPolarHBondContact OD2-CE 3.28Å; D297-K394 IonicContact OD2-NZ 3.82Å; D297-K394 PolarHBondContact OD2-NZ 3.43Å
298R98.2Very high98.5Very high16 Ų1614.7 Ų14.76%0.067%0.074CC..  trans-112.2158.8172.8-62.8177.1-169.5-174-1113.1H122 E268 P269 F292 D293 F384H122-R298 PolarHBondContact ND1-NH1 2.93Å; H122-R298 VanDerWaalsContact ND1-NH1 3.15Å; H122-R298 PolarHBondContact ND1-NH2 3.18Å; E268-R298 IonicContact OE1-NH1 2.72Å; P269-R298 HydrophobicContact CG-CB 3.86Å; F292-R298 WeakPolarHBondContact CA-O 3.22Å; D293-R298 HydrophobicContact CB-CB 4.01Å; D293-R298 PolarHBondContact OD1-N 3.02Å; R298-F384 CarbonylContact C-O 3.35Å; R298-F384 WeakPolarHBondContact CA-O 3.34Å; R298-F384 HydrophobicContact CB-CB 4.13Å; R298-F384 WeakPolarHBondContact CB-O 3.48Å
299Y98.5Very high98.5Very high3 Ų314.8 Ų14.81%0.0128%0.075CC..EExtended strand (participates in β ladder)trans-149.6147.9176.172.1-71.2000112.7A291 I301 S314 F384 T386 S399A291-Y299 CarbonylContact O-C 3.38Å; A291-Y299 WeakPolarHBondContact O-CA 3.21Å; Y299-I301 HydrophobicContact CD2-CD1 3.67Å; Y299-I301 HydrophobicContact CD2-CG1 3.56Å; Y299-I301 HydrophobicContact CE2-CD1 4.08Å; Y299-I301 HydrophobicContact CE2-CG1 3.55Å; Y299-S314 WeakPolarHBondContact OH-CB 3.32Å; Y299-S314 PolarHBondContact OH-OG 2.8Å; Y299-F384 WeakPolarHBondContact CD1-O 3.46Å; Y299-F384 PolarHBondContact N-O 3.41Å; Y299-F384 VanDerWaalsContact O-CB 3.26Å; Y299-F384 WeakPolarHBondContact O-CB 3.34Å; Y299-F384 VanDerWaalsContact O-CD1 3.29Å; Y299-F384 WeakPolarHBondContact O-CD1 3.49Å; Y299-T386 WeakPolarHBondContact CE1-OG1 3.25Å; Y299-T386 WeakPolarHBondContact OH-CB 3.41Å; Y299-T386 PolarHBondContact OH-OG1 3.02Å; Y299-S399 WeakPolarHBondContact CE1-OG 3.48Å; Y299-S399 VanDerWaalsContact CZ-CB 3.42Å
300M98.8Very high98.5Very high1 Ų115.6 Ų15.61%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-114.5141.5164.1179.5173.970.300109.2P269 L271 A274 L277 V278 A290 A291 L302 F308 F384P269-M300 HydrophobicContact CB-CB 3.92Å; P269-M300 WeakPolarHBondContact O-CB 3.05Å; L271-M300 HydrophobicContact CD2-SD 4.01Å; L271-M300 HydrophobicContact CG-SD 4.43Å; A274-M300 HydrophobicContact CB-CE 3.66Å; L277-M300 HydrophobicContact CD2-CE 3.85Å; V278-M300 HydrophobicContact CG2-CE 4.41Å; A290-M300 WeakPolarHBondContact CA-O 3.41Å; A290-M300 WeakPolarHBondContact CB-O 3.2Å; A291-M300 HydrophobicContact CB-CE 4.4Å; A291-M300 PolarHBondContact N-O 2.77Å; A291-M300 VanDerWaalsContact N-O 3.14Å; A291-M300 PolarHBondContact O-N 2.95Å; M300-L302 HydrophobicContact CE-CD1 4.12Å; M300-L302 HydrophobicContact CE-CD2 4.46Å; M300-L302 HydrophobicContact CE-CG 4.24Å; M300-L302 HydrophobicContact SD-CD2 4.4Å; M300-F308 HydrophobicContact CG-CD2 4.41Å; M300-F308 HydrophobicContact CG-CE2 4.04Å; M300-F308 HydrophobicContact SD-CD2 4.29Å; M300-F308 HydrophobicContact SD-CE2 3.99Å; M300-F384 HydrophobicContact CB-CD1 4.01Å; M300-F384 HydrophobicContact CB-CE1 4.03Å; M300-F384 HydrophobicContact CG-CD1 4.42Å; M300-F384 HydrophobicContact CG-CE1 3.98Å; M300-F384 HydrophobicContact SD-CE1 4.37Å
301I98.9Very high98.4Very high2 Ų215.8 Ų15.81%0.018%0.081CC..EExtended strand (participates in β ladder)trans-114.9133.7174.1-57.3-59.8000109.7F288 A290 Y299 V309 V400 W403 V414F288-I301 HydrophobicContact CD2-CG2 4.31Å; F288-I301 HydrophobicContact CE2-CD1 4.04Å; F288-I301 HydrophobicContact CE2-CG2 3.72Å; F288-I301 HydrophobicContact CZ-CD1 3.66Å; F288-I301 HydrophobicContact CZ-CG2 4.39Å; A290-I301 HydrophobicContact CB-CD1 4Å; Y299-I301 HydrophobicContact CD2-CD1 3.67Å; Y299-I301 HydrophobicContact CD2-CG1 3.56Å; Y299-I301 HydrophobicContact CE2-CD1 4.08Å; Y299-I301 HydrophobicContact CE2-CG1 3.55Å; I301-V309 HydrophobicContact CB-CB 4.1Å; I301-V309 HydrophobicContact CB-CG2 4.19Å; I301-V309 HydrophobicContact CG2-CB 4.3Å; I301-V309 HydrophobicContact CG2-CG2 3.82Å; I301-V309 PolarHBondContact O-N 3.37Å; I301-V400 HydrophobicContact CD1-CG2 3.92Å; I301-W403 HydrophobicContact CG1-CG 4.36Å; I301-W403 HydrophobicContact CG2-CD2 4.45Å; I301-V414 HydrophobicContact CG2-CG1 4.4Å
302L98.9Very high98.4Very high0 Ų015.8 Ų15.80%08%0.081CC..EExtended strand (participates in β ladder)trans-121.8138.7170.3-61-179.4000109.8L271 L277 V278 M281 G289 M300 F307 F308L271-L302 HydrophobicContact CD2-CD2 4.12Å; L277-L302 HydrophobicContact CD2-CD1 4.09Å; L277-L302 HydrophobicContact CG-CD1 3.88Å; V278-L302 HydrophobicContact CG2-CD1 3.9Å; M281-L302 HydrophobicContact CB-CD1 4.16Å; M281-L302 HydrophobicContact CE-CB 4.45Å; M281-L302 HydrophobicContact CG-CB 3.99Å; M281-L302 HydrophobicContact CG-CD1 3.78Å; G289-L302 PolarHBondContact N-O 3.07Å; G289-L302 PolarHBondContact O-N 3.31Å; M300-L302 HydrophobicContact CE-CD1 4.12Å; M300-L302 HydrophobicContact CE-CD2 4.46Å; M300-L302 HydrophobicContact CE-CG 4.24Å; M300-L302 HydrophobicContact SD-CD2 4.4Å; L302-F307 CarbonylContact C-O 3.55Å; L302-F307 VanDerWaalsContact CA-O 3.32Å; L302-F307 WeakPolarHBondContact CA-O 3.45Å; L302-F308 HydrophobicContact CD2-CB 4.23Å; L302-F308 HydrophobicContact CD2-CD2 3.95Å
303G98.8Very high98.4Very high0 Ų016 Ų160%08%0.082CC..EExtended strand (participates in β ladder)trans-87-176163.300000112M281 G306 F307M281-G303 WeakPolarHBondContact CE-O 3.49Å; G303-G306 PolarHBondContact O-N 3.02Å; G303-F307 PolarHBondContact N-O 2.86Å; G303-F307 PolarHBondContact O-N 2.9Å
304E98.2Very high98.5Very high100 Ų10016.1 Ų16.147%0.4678%0.083SC..G310 helixtrans-50.4148.8171.9-162.5178.6167.700112F286 G306 F307F286-E304 WeakPolarHBondContact O-CA 3.21Å; E304-G306 PolarHBondContact O-N 3.33Å; E304-G306 VanDerWaalsContact O-N 3.07Å; E304-F307 WeakPolarHBondContact O-CB 3.48Å; E304-F307 PolarHBondContact O-N 3.11Å; E304-F307 VanDerWaalsContact O-N 3.1Å
305N98Very high98.5Very high96 Ų9616.1 Ų16.151%0.5138%0.083SC..G310 helixtrans57.920-178.7-56.5-47.9000114.6M281 G284M281-N305 CarbonylContact O-C 3.56Å; M281-N305 VanDerWaalsContact O-CA 3.26Å; M281-N305 WeakPolarHBondContact O-CA 2.99Å; M281-N305 PolarHBondContact O-N 3.04Å; G284-N305 WeakPolarHBondContact CA-OD1 3.42Å
306G97.4Very high98.5Very high16 Ų1616.1 Ų16.117%0.1658%0.083CC..G310 helixtrans76.224.4-178.300000113.8M281 G303 E304 F308M281-G306 PolarHBondContact O-N 3.24Å; G303-G306 PolarHBondContact O-N 3.02Å; E304-G306 PolarHBondContact O-N 3.33Å; E304-G306 VanDerWaalsContact O-N 3.07Å; G306-F308 PolarHBondContact O-N 2.97Å
307F98.6Very high98.5Very high26 Ų2616.1 Ų16.111%0.1148%0.083CC..  trans-57.8111.5175.2177.7-94.9000110.8L302 G303 E304 V309 V414 E415 V418 W422L302-F307 CarbonylContact C-O 3.55Å; L302-F307 VanDerWaalsContact CA-O 3.32Å; L302-F307 WeakPolarHBondContact CA-O 3.45Å; G303-F307 PolarHBondContact N-O 2.86Å; G303-F307 PolarHBondContact O-N 2.9Å; E304-F307 WeakPolarHBondContact O-CB 3.48Å; E304-F307 PolarHBondContact O-N 3.11Å; E304-F307 VanDerWaalsContact O-N 3.1Å; F307-V309 HydrophobicContact CD1-CG2 4.22Å; F307-V309 HydrophobicContact CE1-CG2 4.15Å; F307-V414 HydrophobicContact CD1-CG1 4.22Å; F307-E415 HydrophobicContact CB-CB 4.35Å; F307-E415 HydrophobicContact CD1-CB 3.91Å; F307-E415 HydrophobicContact CD1-CG 4.42Å; F307-E415 HydrophobicContact CD2-CB 3.94Å; F307-E415 HydrophobicContact CD2-CG 3.64Å; F307-E415 HydrophobicContact CE1-CB 4.18Å; F307-E415 HydrophobicContact CE1-CG 4.44Å; F307-E415 HydrophobicContact CE2-CB 4.21Å; F307-E415 HydrophobicContact CE2-CG 3.66Å; F307-E415 HydrophobicContact CG-CB 3.79Å; F307-E415 HydrophobicContact CG-CG 4.04Å; F307-E415 HydrophobicContact CZ-CB 4.32Å; F307-E415 HydrophobicContact CZ-CG 4.07Å; F307-V418 HydrophobicContact CE1-CB 3.87Å; F307-V418 HydrophobicContact CE1-CG1 4.01Å; F307-V418 HydrophobicContact CE1-CG2 3.98Å; F307-V418 HydrophobicContact CZ-CB 3.96Å; F307-V418 HydrophobicContact CZ-CG1 3.79Å; F307-W422 HydrophobicContact CE2-CH2 4.12Å; F307-W422 AromaticContact CZ-CH2 3.77Å; F307-W422 HydrophobicContact CZ-CH2 3.77Å; F307-W422 HydrophobicContact CZ-CZ2 4.42Å; F307-W422 HydrophobicContact CZ-CZ3 4.34Å
308F98.6Very high98.6Very high46 Ų4616.1 Ų16.120%0.2028%0.082CC..EExtended strand (participates in β ladder)trans-80.8123-177176.4-118.9000112L271 M300 L302 G306 N310 F384L271-F308 HydrophobicContact CD1-CB 4.28Å; L271-F308 HydrophobicContact CD1-CD1 4.05Å; L271-F308 HydrophobicContact CD1-CD2 4.05Å; L271-F308 HydrophobicContact CD1-CE1 4.35Å; L271-F308 HydrophobicContact CD1-CE2 4.37Å; L271-F308 HydrophobicContact CD1-CG 3.87Å; L271-F308 HydrophobicContact CD2-CB 4.38Å; L271-F308 HydrophobicContact CD2-CD2 3.75Å; L271-F308 HydrophobicContact CD2-CE2 4.29Å; L271-F308 HydrophobicContact CD2-CG 4.2Å; L271-F308 HydrophobicContact CG-CD2 3.96Å; L271-F308 HydrophobicContact CG-CE2 4.1Å; L271-F308 HydrophobicContact CG-CG 4.3Å; M300-F308 HydrophobicContact CG-CD2 4.41Å; M300-F308 HydrophobicContact CG-CE2 4.04Å; M300-F308 HydrophobicContact SD-CD2 4.29Å; M300-F308 HydrophobicContact SD-CE2 3.99Å; L302-F308 HydrophobicContact CD2-CB 4.23Å; L302-F308 HydrophobicContact CD2-CD2 3.95Å; G306-F308 PolarHBondContact O-N 2.97Å; F308-N310 HydrophobicContact CE1-CB 4.27Å; F308-F384 AromaticContact CE2-CE1 3.93Å; F308-F384 HydrophobicContact CE2-CE1 3.93Å; F308-F384 HydrophobicContact CE2-CZ 4.3Å; F308-F384 HydrophobicContact CZ-CE1 4.04Å; F308-F384 HydrophobicContact CZ-CZ 4.12Å
309V98.8Very high98.6Very high3 Ų315.3 Ų15.32%0.0188%0.079CC..EExtended strand (participates in β ladder)trans-90.2109169.8-174.50000108.6I301 F307 W403 V414 V418I301-V309 HydrophobicContact CB-CB 4.1Å; I301-V309 HydrophobicContact CB-CG2 4.19Å; I301-V309 HydrophobicContact CG2-CB 4.3Å; I301-V309 HydrophobicContact CG2-CG2 3.82Å; I301-V309 PolarHBondContact O-N 3.37Å; F307-V309 HydrophobicContact CD1-CG2 4.22Å; F307-V309 HydrophobicContact CE1-CG2 4.15Å; V309-W403 HydrophobicContact CG1-CH2 4.17Å; V309-W403 HydrophobicContact CG1-CZ2 3.67Å; V309-W403 HydrophobicContact CG2-CH2 4.48Å; V309-V414 HydrophobicContact CG2-CG1 3.41Å; V309-V414 VanDerWaalsContact CG2-CG1 3.41Å; V309-V418 HydrophobicContact CG1-CG2 4.38Å; V309-V418 HydrophobicContact CG2-CG2 4.28Å
310N98.6Very high98.6Very high17 Ų1716.2 Ų16.29%0.0919%0.087CC..  trans-58.2135.7174.6-174.7-79.7000109.9F308 S312 D313 S314F308-N310 HydrophobicContact CE1-CB 4.27Å; N310-S312 PolarHBondContact O-N 3Å; N310-S312 VanDerWaalsContact OD1-CB 3.31Å; N310-S312 WeakPolarHBondContact OD1-CB 3.41Å; N310-S312 PolarHBondContact OD1-N 3.27Å; N310-S312 PolarHBondContact OD1-OG 2.91Å; N310-D313 HydrophobicContact CB-CB 4.3Å; N310-D313 CarbonylContact O-C 3.55Å; N310-D313 WeakPolarHBondContact O-CA 3.21Å; N310-D313 WeakPolarHBondContact O-CB 3.42Å; N310-D313 PolarHBondContact O-N 3.03Å; N310-S314 PolarHBondContact O-N 2.95Å
311P98.4Very high98.6Very high4 Ų417.3 Ų17.33%0.0269%0.093CC..Hα-helixtrans-59.2-31.4-177.5-28.537.6000114.5S314 V315 E382 F384P311-S314 WeakPolarHBondContact O-CB 3.49Å; P311-S314 PolarHBondContact O-N 2.71Å; P311-V315 PolarHBondContact O-N 2.84Å; P311-E382 WeakPolarHBondContact CB-O 3.47Å; P311-E382 WeakPolarHBondContact CG-O 3.28Å; P311-F384 HydrophobicContact CB-CD1 4.39Å; P311-F384 HydrophobicContact CG-CB 4.44Å; P311-F384 HydrophobicContact CG-CD1 3.28Å; P311-F384 HydrophobicContact CG-CD2 4.32Å; P311-F384 HydrophobicContact CG-CE1 3.42Å; P311-F384 VanDerWaalsContact CG-CE1 3.42Å; P311-F384 HydrophobicContact CG-CE2 4.43Å; P311-F384 HydrophobicContact CG-CG 3.77Å; P311-F384 HydrophobicContact CG-CZ 4.02Å
312S98.6Very high98.6Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-68.8-37.4175.5-480000111.8N310 V315 A316 T342 S343N310-S312 PolarHBondContact O-N 3Å; N310-S312 VanDerWaalsContact OD1-CB 3.31Å; N310-S312 WeakPolarHBondContact OD1-CB 3.41Å; N310-S312 PolarHBondContact OD1-N 3.27Å; N310-S312 PolarHBondContact OD1-OG 2.91Å; S312-V315 VanDerWaalsContact O-CG1 3.29Å; S312-V315 WeakPolarHBondContact O-CG1 3.17Å; S312-A316 PolarHBondContact O-N 3.06Å; S312-T342 WeakPolarHBondContact OG-CG2 3.16Å; S312-S343 VanDerWaalsContact CB-CB 3.43Å; S312-S343 WeakPolarHBondContact CB-OG 3.33Å; S312-S343 PolarHBondContact OG-N 2.88Å
313D98.9Very high98.5Very high5 Ų521.7 Ų21.73%0.02712%0.124CC..Hα-helixtrans-70.8-36.3172.5-75.2-12.4000110.8N310 V315 A316 V317 W422N310-D313 HydrophobicContact CB-CB 4.3Å; N310-D313 CarbonylContact O-C 3.55Å; N310-D313 WeakPolarHBondContact O-CA 3.21Å; N310-D313 WeakPolarHBondContact O-CB 3.42Å; N310-D313 PolarHBondContact O-N 3.03Å; D313-V315 PolarHBondContact O-N 3.37Å; D313-A316 PolarHBondContact O-N 2.88Å; D313-A316 VanDerWaalsContact O-N 3.15Å; D313-V317 WeakPolarHBondContact O-CB 3.22Å; D313-V317 VanDerWaalsContact O-CG2 3.3Å; D313-V317 WeakPolarHBondContact O-CG2 3.13Å; D313-V317 PolarHBondContact O-N 3.36Å; D313-W422 PolarHBondContact OD2-NE1 3.48Å
314S98.9Very high98.5Very high2 Ų223 Ų231%0.01413%0.132CC..Hα-helixtrans-56.5-51.8179.7-176.60000112Y299 N310 P311 A316 V317 I318 W403Y299-S314 WeakPolarHBondContact OH-CB 3.32Å; Y299-S314 PolarHBondContact OH-OG 2.8Å; N310-S314 PolarHBondContact O-N 2.95Å; P311-S314 WeakPolarHBondContact O-CB 3.49Å; P311-S314 PolarHBondContact O-N 2.71Å; S314-A316 VanDerWaalsContact C-N 3.3Å; S314-A316 PolarHBondContact O-N 3.48Å; S314-V317 PolarHBondContact O-N 2.77Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.38Å; S314-W403 PolarHBondContact OG-NE1 2.65Å
315V98.8Very high98.5Very high0 Ų018.3 Ų18.30%011%0.11CC..Hα-helixtrans-63.8-35.8177.564.20000112P311 S312 D313 A319 L346 L378 T386P311-V315 PolarHBondContact O-N 2.84Å; S312-V315 VanDerWaalsContact O-CG1 3.29Å; S312-V315 WeakPolarHBondContact O-CG1 3.17Å; D313-V315 PolarHBondContact O-N 3.37Å; V315-A319 VanDerWaalsContact O-CB 3.25Å; V315-A319 WeakPolarHBondContact O-CB 3.26Å; V315-A319 PolarHBondContact O-N 3.36Å; V315-L346 HydrophobicContact CG1-CD2 4.34Å; V315-L346 HydrophobicContact CG2-CD1 4.36Å; V315-L346 HydrophobicContact CG2-CD2 3.99Å; V315-L378 HydrophobicContact CG2-CD2 4.15Å; V315-L378 HydrophobicContact CG2-CG 4.3Å; V315-T386 HydrophobicContact CB-CG2 4.21Å; V315-T386 HydrophobicContact CG2-CG2 4.02Å
316A98.9Very high98.6Very high0 Ų014.5 Ų14.50%09%0.09CC..Hα-helixtrans-67.5-41.3176.900000112.2S312 D313 S314 A319 A320 A345 V349 H421S312-A316 PolarHBondContact O-N 3.06Å; D313-A316 PolarHBondContact O-N 2.88Å; D313-A316 VanDerWaalsContact O-N 3.15Å; S314-A316 VanDerWaalsContact C-N 3.3Å; S314-A316 PolarHBondContact O-N 3.48Å; A316-A319 WeakPolarHBondContact O-CB 3.37Å; A316-A319 PolarHBondContact O-N 3.44Å; A316-A320 WeakPolarHBondContact O-CB 3.47Å; A316-A320 PolarHBondContact O-N 3.45Å; A316-A345 HydrophobicContact CB-CB 3.78Å; A316-V349 HydrophobicContact CB-CG2 4.08Å; A316-H421 PolarHBondContact O-CE1 3.15Å
317V98.9Very high98.6Very high0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-65.3-45.2176.1172.10000110.7D313 S314 A319 A320 N321 W403 I417 V418 H421D313-V317 WeakPolarHBondContact O-CB 3.22Å; D313-V317 VanDerWaalsContact O-CG2 3.3Å; D313-V317 WeakPolarHBondContact O-CG2 3.13Å; D313-V317 PolarHBondContact O-N 3.36Å; S314-V317 PolarHBondContact O-N 2.77Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.8Å; V317-A320 PolarHBondContact O-N 2.94Å; V317-N321 PolarHBondContact O-N 3.26Å; V317-N321 PolarHBondContact O-ND2 3.28Å; V317-W403 HydrophobicContact CB-CH2 4.05Å; V317-W403 HydrophobicContact CB-CZ2 4.05Å; V317-W403 HydrophobicContact CG1-CH2 3.53Å; V317-W403 HydrophobicContact CG1-CZ2 3.92Å; V317-W403 HydrophobicContact CG1-CZ3 4.08Å; V317-W403 HydrophobicContact CG2-CH2 4.4Å; V317-I417 HydrophobicContact CG1-CG2 3.7Å; V317-V418 HydrophobicContact CG2-CG2 4.35Å; V317-H421 HydrophobicContact CG2-CB 3.91Å
318I98.9Very high98.6Very high1 Ų114.8 Ų14.81%0.0059%0.086CC..Hα-helixtrans-59.2-47.6174.8-67.9166000109.9S314 A320 N321 L322 L378 T386 W398 A402S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.38Å; I318-A320 VanDerWaalsContact C-N 3.31Å; I318-A320 PolarHBondContact O-N 2.87Å; I318-N321 CarbonylContact O-C 3.52Å; I318-N321 PolarHBondContact O-N 3.03Å; I318-L322 HydrophobicContact CG2-CD2 3.94Å; I318-L322 WeakPolarHBondContact O-CG 3.32Å; I318-L322 PolarHBondContact O-N 3.01Å; I318-L322 VanDerWaalsContact O-N 3.09Å; I318-L378 HydrophobicContact CG2-CD1 4.03Å; I318-L378 HydrophobicContact CG2-CD2 4.23Å; I318-T386 HydrophobicContact CD1-CG2 4.21Å; I318-W398 HydrophobicContact CG2-CH2 4.23Å; I318-A402 HydrophobicContact CD1-CB 4.3Å; I318-A402 HydrophobicContact CG1-CB 4.44Å; I318-A402 HydrophobicContact CG2-CB 4.36Å
319A98.8Very high98.6Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-55.7-44178.100000112.7V315 A316 V317 N321 L322 F336 L346 V349 M353 L378V315-A319 VanDerWaalsContact O-CB 3.25Å; V315-A319 WeakPolarHBondContact O-CB 3.26Å; V315-A319 PolarHBondContact O-N 3.36Å; A316-A319 WeakPolarHBondContact O-CB 3.37Å; A316-A319 PolarHBondContact O-N 3.44Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.8Å; A319-N321 PolarHBondContact O-N 3.22Å; A319-L322 WeakPolarHBondContact O-CG 3.13Å; A319-F336 HydrophobicContact CB-CD2 4.37Å; A319-F336 HydrophobicContact CB-CE1 4.36Å; A319-F336 HydrophobicContact CB-CE2 3.9Å; A319-F336 HydrophobicContact CB-CZ 3.89Å; A319-L346 HydrophobicContact CB-CD1 3.39Å; A319-V349 HydrophobicContact CB-CG1 3.85Å; A319-M353 VanDerWaalsContact O-SD 3.41Å; A319-L378 HydrophobicContact CB-CD2 3.56Å
320A98.8Very high98.5Very high21 Ų2126.5 Ų26.517%0.17414%0.135CC..Hα-helixtrans-69.8-14.3-179.900000113.6A316 V317 I318 V349 F425A316-A320 WeakPolarHBondContact O-CB 3.47Å; A316-A320 PolarHBondContact O-N 3.45Å; V317-A320 PolarHBondContact O-N 2.94Å; I318-A320 VanDerWaalsContact C-N 3.31Å; I318-A320 PolarHBondContact O-N 2.87Å; A320-V349 HydrophobicContact CB-CG1 3.91Å; A320-V349 HydrophobicContact CB-CG2 4.32Å; A320-F425 HydrophobicContact CB-CE2 4.01Å; A320-F425 HydrophobicContact CB-CZ 4.35Å
321N98.8Very high98.4Very high24 Ų2430.8 Ų30.813%0.12815%0.154CC..THydrogen-bonded Turntrans-124.419.2-175.1-65-81.6000113.3V317 I318 A319 S323 T324 V406V317-N321 PolarHBondContact O-N 3.26Å; V317-N321 PolarHBondContact O-ND2 3.28Å; I318-N321 CarbonylContact O-C 3.52Å; I318-N321 PolarHBondContact O-N 3.03Å; A319-N321 PolarHBondContact O-N 3.22Å; N321-S323 PolarHBondContact O-N 3.26Å; N321-T324 HydrophobicContact CB-CG2 4.34Å; N321-T324 WeakPolarHBondContact O-CB 3.38Å; N321-T324 WeakPolarHBondContact O-CG2 3.33Å; N321-T324 PolarHBondContact O-N 3.42Å; N321-T324 PolarHBondContact O-OG1 3.43Å; N321-V406 HydrophobicContact CB-CB 4.47Å; N321-V406 HydrophobicContact CB-CG1 3.95Å; N321-V406 HydrophobicContact CB-CG2 3.64Å
322L97.9Very high98.2Very high7 Ų732.2 Ų32.24%0.03717%0.169CC..G310 helixtrans-57.3-26.8-178.2-70.9177.3000114.1I318 A319 T324 I325 F328 A333 F336 L378I318-L322 HydrophobicContact CG2-CD2 3.94Å; I318-L322 WeakPolarHBondContact O-CG 3.32Å; I318-L322 PolarHBondContact O-N 3.01Å; I318-L322 VanDerWaalsContact O-N 3.09Å; A319-L322 WeakPolarHBondContact O-CG 3.13Å; L322-T324 PolarHBondContact O-N 3.4Å; L322-T324 VanDerWaalsContact O-N 3.11Å; L322-I325 HydrophobicContact CD2-CD1 4.45Å; L322-I325 PolarHBondContact O-N 3.06Å; L322-F328 HydrophobicContact CB-CB 4.03Å; L322-F328 HydrophobicContact CB-CD2 4.32Å; L322-F328 HydrophobicContact CB-CG 4.12Å; L322-F328 HydrophobicContact CD1-CD1 4.24Å; L322-F328 HydrophobicContact CD1-CE1 4.43Å; L322-F328 HydrophobicContact CD1-CG 4.43Å; L322-F328 HydrophobicContact CD2-CD1 4.32Å; L322-F328 HydrophobicContact CD2-CD2 3.64Å; L322-F328 HydrophobicContact CD2-CE1 4.25Å; L322-F328 HydrophobicContact CD2-CE2 3.56Å; L322-F328 HydrophobicContact CD2-CG 4.01Å; L322-F328 HydrophobicContact CD2-CZ 3.86Å; L322-F328 HydrophobicContact CG-CD2 4.47Å; L322-F328 HydrophobicContact CG-CG 4.42Å; L322-A333 HydrophobicContact CD1-CB 4.01Å; L322-F336 HydrophobicContact CD1-CE1 3.52Å; L322-F336 HydrophobicContact CD1-CZ 3.72Å; L322-L378 HydrophobicContact CD1-CD2 4.32Å; L322-L378 HydrophobicContact CD2-CD1 4.43Å; L322-L378 HydrophobicContact CD2-CD2 4.19Å
323S97.7Very high98.1Very high88 Ų8833.5 Ų33.562%0.61518%0.18SC*.G310 helixtrans-61.3-16.8175.956.20000113.8N321 I325 R329N321-S323 PolarHBondContact O-N 3.26Å; S323-I325 VanDerWaalsContact C-N 3.28Å; S323-R329 WeakPolarHBondContact O-CD 3.48Å; S323-R329 WeakPolarHBondContact O-CG 3.46Å
324T98.3Very high98Very high28 Ų2839.9 Ų39.917%0.17220%0.203CC..G310 helixtrans-75.6-16.9174.965.40000113N321 L322 A409N321-T324 HydrophobicContact CB-CG2 4.34Å; N321-T324 WeakPolarHBondContact O-CB 3.38Å; N321-T324 WeakPolarHBondContact O-CG2 3.33Å; N321-T324 PolarHBondContact O-N 3.42Å; N321-T324 PolarHBondContact O-OG1 3.43Å; L322-T324 PolarHBondContact O-N 3.4Å; L322-T324 VanDerWaalsContact O-N 3.11Å; T324-A409 HydrophobicContact CG2-CB 3.49Å; T324-A409 VanDerWaalsContact CG2-CB 3.49Å
325I98.7Very high98Very high0 Ų039.8 Ų39.80%020%0.203CC..SBendtrans-102.9121.9-176-60.3167.1000109.1I207 F208 L322 S323 Y327 F328 R329 A402I207-I325 HydrophobicContact CG2-CG2 4.19Å; F208-I325 HydrophobicContact CD1-CG1 4.34Å; F208-I325 HydrophobicContact CD1-CG2 3.89Å; F208-I325 HydrophobicContact CE1-CD1 4.05Å; F208-I325 HydrophobicContact CE1-CG1 4.09Å; F208-I325 HydrophobicContact CE1-CG2 3.87Å; L322-I325 HydrophobicContact CD2-CD1 4.45Å; L322-I325 PolarHBondContact O-N 3.06Å; S323-I325 VanDerWaalsContact C-N 3.28Å; I325-Y327 VanDerWaalsContact C-N 3.29Å; I325-Y327 PolarHBondContact O-N 3.47Å; I325-F328 HydrophobicContact CB-CD2 3.93Å; I325-F328 HydrophobicContact CD1-CD2 4.21Å; I325-F328 HydrophobicContact CD1-CE2 4.17Å; I325-F328 HydrophobicContact CG2-CD2 3.86Å; I325-F328 HydrophobicContact CG2-CE2 4.27Å; I325-F328 PolarHBondContact O-N 2.82Å; I325-R329 PolarHBondContact O-N 3.14Å; I325-A402 HydrophobicContact CD1-CB 3.85Å
326P98.7Very high98Very high17 Ų1739.8 Ų39.811%0.1120%0.203CC..Hα-helixtrans-50.1-42.7-178.7-2833.2000114.8I207 D209 F328 R329 Q330I207-P326 WeakPolarHBondContact O-CD 3.49Å; D209-P326 HydrophobicContact CB-CG 3.89Å; P326-F328 PolarHBondContact O-N 3.19Å; P326-R329 WeakPolarHBondContact O-CB 3.47Å; P326-R329 PolarHBondContact O-N 3.34Å; P326-R329 VanDerWaalsContact O-N 3.13Å; P326-Q330 WeakPolarHBondContact O-CG 3.49Å; P326-Q330 PolarHBondContact O-N 2.79Å
327Y98.6Very high98Very high37 Ų3739.8 Ų39.815%0.14520%0.203CC..Hα-helixtrans-50.7-51.8177.9-178.5-100000113.1I207 I325 R329 Q330 H331 D389I207-Y327 HydrophobicContact CG1-CD2 4.19Å; I207-Y327 HydrophobicContact CG2-CG 4.29Å; I207-Y327 PolarHBondContact O-N 2.98Å; I207-Y327 VanDerWaalsContact O-N 3.13Å; I325-Y327 VanDerWaalsContact C-N 3.29Å; I325-Y327 PolarHBondContact O-N 3.47Å; Y327-R329 VanDerWaalsContact C-N 3.35Å; Y327-R329 PolarHBondContact O-N 2.84Å; Y327-Q330 PolarHBondContact O-N 2.97Å; Y327-H331 AromaticContact CD2-CD2 3.43Å; Y327-H331 VanDerWaalsContact CD2-CD2 3.43Å; Y327-H331 WeakPolarHBondContact CD2-CD2 3.28Å; Y327-H331 AromaticContact CD2-NE2 3.9Å; Y327-H331 AromaticContact CE2-CD2 3.4Å; Y327-H331 WeakPolarHBondContact CE2-CD2 3.1Å; Y327-H331 AromaticContact CE2-NE2 3.83Å; Y327-H331 AromaticContact CG-CD2 3.98Å; Y327-H331 AromaticContact CZ-CD2 3.94Å; Y327-H331 WeakPolarHBondContact O-CB 3.42Å; Y327-H331 PolarHBondContact O-CD2 2.88Å; Y327-H331 PolarHBondContact O-N 3.39Å; Y327-D389 VanDerWaalsContact CE1-OD1 3.24Å; Y327-D389 WeakPolarHBondContact CE1-OD1 3.45Å; Y327-D389 VanDerWaalsContact CZ-OD1 3.32Å; Y327-D389 PolarHBondContact OH-OD1 3.05Å
328F98.4Very high97.9Very high10 Ų1040 Ų404%0.04420%0.203CC..Hα-helixtrans-76.7-21.6-178.2-62.8-79.2000113.1L322 I325 P326 Q330 G332 W398L322-F328 HydrophobicContact CB-CB 4.03Å; L322-F328 HydrophobicContact CB-CD2 4.32Å; L322-F328 HydrophobicContact CB-CG 4.12Å; L322-F328 HydrophobicContact CD1-CD1 4.24Å; L322-F328 HydrophobicContact CD1-CE1 4.43Å; L322-F328 HydrophobicContact CD1-CG 4.43Å; L322-F328 HydrophobicContact CD2-CD1 4.32Å; L322-F328 HydrophobicContact CD2-CD2 3.64Å; L322-F328 HydrophobicContact CD2-CE1 4.25Å; L322-F328 HydrophobicContact CD2-CE2 3.56Å; L322-F328 HydrophobicContact CD2-CG 4.01Å; L322-F328 HydrophobicContact CD2-CZ 3.86Å; L322-F328 HydrophobicContact CG-CD2 4.47Å; L322-F328 HydrophobicContact CG-CG 4.42Å; I325-F328 HydrophobicContact CB-CD2 3.93Å; I325-F328 HydrophobicContact CD1-CD2 4.21Å; I325-F328 HydrophobicContact CD1-CE2 4.17Å; I325-F328 HydrophobicContact CG2-CD2 3.86Å; I325-F328 HydrophobicContact CG2-CE2 4.27Å; I325-F328 PolarHBondContact O-N 2.82Å; P326-F328 PolarHBondContact O-N 3.19Å; F328-Q330 VanDerWaalsContact C-N 3.35Å; F328-G332 WeakPolarHBondContact O-CA 3.41Å; F328-G332 PolarHBondContact O-N 3.39Å; F328-W398 AromaticContact CE2-CZ2 3.89Å; F328-W398 HydrophobicContact CE2-CZ2 3.89Å; F328-W398 HydrophobicContact CZ-CZ2 4.06Å
329R97.7Very high97.9Very high157 Ų15739.9 Ų39.959%0.59220%0.203SC*.Hα-helixtrans-66.8-38.3168.3-71.6-168.9-74164.5-2.8111.8S323 I325 P326 Y327S323-R329 WeakPolarHBondContact O-CD 3.48Å; S323-R329 WeakPolarHBondContact O-CG 3.46Å; I325-R329 PolarHBondContact O-N 3.14Å; P326-R329 WeakPolarHBondContact O-CB 3.47Å; P326-R329 PolarHBondContact O-N 3.34Å; P326-R329 VanDerWaalsContact O-N 3.13Å; Y327-R329 VanDerWaalsContact C-N 3.35Å; Y327-R329 PolarHBondContact O-N 2.84Å
330Q97.4Very high97.8Very high139 Ų13940 Ų4065%0.6520%0.203SC*.Hα-helixtrans-80.2-40.6-178-67.7177.51200112.5P326 Y327 F328P326-Q330 WeakPolarHBondContact O-CG 3.49Å; P326-Q330 PolarHBondContact O-N 2.79Å; Y327-Q330 PolarHBondContact O-N 2.97Å; F328-Q330 VanDerWaalsContact C-N 3.35Å
331H95.4Very high97.8Very high107 Ų10739 Ų3950%0.49520%0.196SC..Hα-helixtrans-101.7-13-172.8-60.2-60.5000114.3Y327Y327-H331 AromaticContact CD2-CD2 3.43Å; Y327-H331 VanDerWaalsContact CD2-CD2 3.43Å; Y327-H331 WeakPolarHBondContact CD2-CD2 3.28Å; Y327-H331 AromaticContact CD2-NE2 3.9Å; Y327-H331 AromaticContact CE2-CD2 3.4Å; Y327-H331 WeakPolarHBondContact CE2-CD2 3.1Å; Y327-H331 AromaticContact CE2-NE2 3.83Å; Y327-H331 AromaticContact CG-CD2 3.98Å; Y327-H331 AromaticContact CZ-CD2 3.94Å; Y327-H331 WeakPolarHBondContact O-CB 3.42Å; Y327-H331 PolarHBondContact O-CD2 2.88Å; Y327-H331 PolarHBondContact O-N 3.39Å
332G95.3Very high97.8Very high34 Ų3437.9 Ų37.935%0.35119%0.189SC..  trans69.3179.1-168.700000112.6F328F328-G332 WeakPolarHBondContact O-CA 3.41Å; F328-G332 PolarHBondContact O-N 3.39Å
333A95.9Very high97.8Very high26 Ų2637.5 Ų37.522%0.21519%0.188CC..  trans-112.8127.9169.400000108.9L322 F336 L355L322-A333 HydrophobicContact CD1-CB 4.01Å; A333-F336 HydrophobicContact CB-CE1 4.13Å; A333-L355 HydrophobicContact CB-CD1 3.87Å; A333-L355 WeakPolarHBondContact O-CD2 3.24Å
334R97Very high97.8Very high139 Ų13934 Ų3453%0.52516%0.164SC..  trans-88.2-32.4-176.1-56.9-179.5-168.7175.71.8112.7G374 S377R334-G374 WeakPolarHBondContact CB-O 3.38Å; R334-G374 WeakPolarHBondContact CD-O 3.38Å; R334-G374 VanDerWaalsContact NH1-CA 3.29Å; R334-S377 WeakPolarHBondContact CG-OG 3.26Å; R334-S377 PolarHBondContact N-OG 2.85Å
335G98.3Very high97.8Very high0 Ų032.9 Ų32.90%016%0.157CC..EExtended strand (participates in β ladder)trans175.7170.8179.200000110.8A356 R375 S377G335-A356 CarbonylContact C-O 3.59Å; G335-A356 WeakPolarHBondContact CA-O 3.26Å; G335-R375 WeakPolarHBondContact CA-O 3.43Å; G335-R375 PolarHBondContact N-O 3.31Å; G335-S377 PolarHBondContact O-N 3.48Å
336F98.8Very high97.8Very high0 Ų032.9 Ų32.90%016%0.158CC..EExtended strand (participates in β ladder)trans-118.3153.7-179.7-60.9-32.8000111.2A319 L322 A333 L346 V349 A350 M353 L355 A356 L357 Y358 L378A319-F336 HydrophobicContact CB-CD2 4.37Å; A319-F336 HydrophobicContact CB-CE1 4.36Å; A319-F336 HydrophobicContact CB-CE2 3.9Å; A319-F336 HydrophobicContact CB-CZ 3.89Å; L322-F336 HydrophobicContact CD1-CE1 3.52Å; L322-F336 HydrophobicContact CD1-CZ 3.72Å; A333-F336 HydrophobicContact CB-CE1 4.13Å; F336-L346 HydrophobicContact CB-CD1 4.3Å; F336-L346 HydrophobicContact CB-CD2 4.09Å; F336-L346 HydrophobicContact CB-CG 4.2Å; F336-L346 HydrophobicContact CD2-CD1 4.02Å; F336-L346 HydrophobicContact CG-CD1 4.2Å; F336-V349 HydrophobicContact CE2-CG1 4.4Å; F336-A350 HydrophobicContact CD2-CB 3.83Å; F336-M353 HydrophobicContact CE2-SD 3.88Å; F336-M353 HydrophobicContact CZ-CE 4.15Å; F336-M353 HydrophobicContact CZ-SD 3.98Å; F336-L355 HydrophobicContact CD2-CD1 4.46Å; F336-L355 HydrophobicContact CE1-CD1 4.07Å; F336-L355 HydrophobicContact CE2-CB 4.44Å; F336-L355 HydrophobicContact CE2-CD1 3.72Å; F336-L355 HydrophobicContact CZ-CD1 3.49Å; F336-L355 VanDerWaalsContact CZ-CD1 3.49Å; F336-A356 PolarHBondContact N-O 3.27Å; F336-L357 HydrophobicContact CB-CD1 3.85Å; F336-L357 CarbonylContact O-C 3.5Å; F336-L357 VanDerWaalsContact O-CA 3.28Å; F336-L357 WeakPolarHBondContact O-CA 3.47Å; F336-Y358 WeakPolarHBondContact O-CD2 3.26Å; F336-Y358 PolarHBondContact O-N 3.28Å; F336-L378 VanDerWaalsContact CA-O 3.28Å; F336-L378 WeakPolarHBondContact CA-O 3.36Å; F336-L378 HydrophobicContact CD1-CB 3.78Å; F336-L378 HydrophobicContact CD1-CD2 4.28Å; F336-L378 HydrophobicContact CE1-CB 3.98Å; F336-L378 HydrophobicContact CE1-CD2 4.19Å
337A98.8Very high97.8Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-139.7148.2171.500000112Y358 F367 L370 L378 C379 G380A337-Y358 CarbonylContact C-O 3.52Å; A337-Y358 WeakPolarHBondContact CA-O 3.34Å; A337-F367 HydrophobicContact CB-CD1 3.5Å; A337-F367 VanDerWaalsContact CB-CD1 3.5Å; A337-F367 HydrophobicContact CB-CE1 3.57Å; A337-L370 HydrophobicContact CB-CD1 4.02Å; A337-L378 PolarHBondContact N-O 3.25Å; A337-C379 HydrophobicContact CB-CB 3.85Å; A337-C379 WeakPolarHBondContact O-CA 3.47Å; A337-C379 WeakPolarHBondContact O-CB 3.06Å; A337-G380 PolarHBondContact O-N 3.19Å
338R98.8Very high97.8Very high4 Ų435.7 Ų35.72%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-140157.2168.261162.5-178.673.410.2110.1M340 T342 S343 L346 D347 Y358 E359 T360 G380R338-M340 PolarHBondContact NH1-O 2.96Å; R338-T342 HydrophobicContact CB-CG2 4.11Å; R338-T342 PolarHBondContact NH1-O 3.34Å; R338-T342 VanDerWaalsContact NH1-O 3.16Å; R338-S343 WeakPolarHBondContact CD-O 3.48Å; R338-S343 PolarHBondContact NE-O 3.38Å; R338-L346 HydrophobicContact CB-CD2 4.11Å; R338-D347 IonicContact CZ-OD1 3.54Å; R338-D347 IonicContact CZ-OD2 3.43Å; R338-D347 IonicContact NE-OD1 3.62Å; R338-D347 PolarHBondContact NE-OD1 3.42Å; R338-D347 IonicContact NE-OD2 3.24Å; R338-D347 IonicContact NH2-OD1 2.97Å; R338-D347 PolarHBondContact NH2-OD1 3.05Å; R338-D347 IonicContact NH2-OD2 2.86Å; R338-D347 PolarHBondContact NH2-OD2 2.8Å; R338-Y358 PolarHBondContact N-O 3.47Å; R338-E359 IonicContact CZ-OE1 2.7Å; R338-E359 VanDerWaalsContact CZ-OE1 3.3Å; R338-E359 IonicContact NH1-OE1 3.28Å; R338-E359 PolarHBondContact NH1-OE1 3.34Å; R338-E359 IonicContact NH2-OE1 3.21Å; R338-E359 PolarHBondContact NH2-OE1 2.93Å; R338-E359 WeakPolarHBondContact O-CA 3.45Å; R338-T360 PolarHBondContact O-N 3.37Å; R338-G380 VanDerWaalsContact CA-O 3.32Å; R338-G380 WeakPolarHBondContact CA-O 3.49Å
339S98Very high97.9Very high0 Ų035.2 Ų35.20%017%0.167CC..EExtended strand (participates in β ladder)trans-70.8154170.270.10000110.7A341 T342 T360 G380S339-A341 PolarHBondContact O-N 2.92Å; S339-T342 VanDerWaalsContact O-CB 3.23Å; S339-T342 WeakPolarHBondContact O-CB 3.46Å; S339-T342 PolarHBondContact O-N 3.29Å; S339-T342 PolarHBondContact O-OG1 3.38Å; S339-T342 PolarHBondContact OG-OG1 3.21Å; S339-T360 CarbonylContact C-O 3.58Å; S339-T360 VanDerWaalsContact CA-O 3.29Å; S339-T360 WeakPolarHBondContact CA-O 3.5Å; S339-G380 PolarHBondContact N-O 3.03Å
340M97.6Very high97.9Very high1 Ų127.9 Ų27.91%0.00514%0.139CC..THydrogen-bonded Turntrans-57.8-36.2-175.1180-85.3-67.100112.9R338 T342 E359 T360 F479 R496 V506R338-M340 PolarHBondContact NH1-O 2.96Å; M340-T342 VanDerWaalsContact C-N 3.29Å; M340-T342 PolarHBondContact O-N 3.19Å; M340-E359 HydrophobicContact CB-CG 3.9Å; M340-E359 HydrophobicContact CG-CG 4.24Å; M340-T360 WeakPolarHBondContact CB-O 3.46Å; M340-T360 PolarHBondContact N-O 2.94Å; M340-F479 HydrophobicContact CB-CD1 3.85Å; M340-F479 HydrophobicContact CB-CD2 4.46Å; M340-F479 HydrophobicContact CB-CE1 3.72Å; M340-F479 HydrophobicContact CB-CE2 4.32Å; M340-F479 HydrophobicContact CB-CG 4.25Å; M340-F479 HydrophobicContact CB-CZ 3.97Å; M340-F479 HydrophobicContact CE-CB 3.7Å; M340-F479 HydrophobicContact CE-CD1 4.15Å; M340-F479 HydrophobicContact CE-CG 4Å; M340-F479 HydrophobicContact CG-CB 4.33Å; M340-F479 HydrophobicContact CG-CD1 3.84Å; M340-F479 HydrophobicContact CG-CD2 3.72Å; M340-F479 HydrophobicContact CG-CE1 4.04Å; M340-F479 HydrophobicContact CG-CE2 3.89Å; M340-F479 HydrophobicContact CG-CG 3.7Å; M340-F479 HydrophobicContact CG-CZ 4.06Å; M340-R496 HydrophobicContact SD-CB 4.33Å; M340-V506 HydrophobicContact CE-CG1 3.75Å; M340-V506 HydrophobicContact SD-CB 4.5Å; M340-V506 HydrophobicContact SD-CG1 3.7Å; M340-V506 HydrophobicContact SD-CG2 3.9Å
341A97.1Very high98Very high1 Ų129.2 Ų29.21%0.00814%0.143CC..THydrogen-bonded Turntrans-75.1-16.6178.100000113.6S339 F430 V506 Y523S339-A341 PolarHBondContact O-N 2.92Å; A341-F430 WeakPolarHBondContact O-CE2 3.45Å; A341-F430 VanDerWaalsContact O-CZ 3.23Å; A341-F430 WeakPolarHBondContact O-CZ 3.43Å; A341-V506 HydrophobicContact CB-CG1 4.42Å; A341-Y523 HydrophobicContact CB-CD1 3.93Å; A341-Y523 HydrophobicContact CB-CD2 4.05Å; A341-Y523 HydrophobicContact CB-CE1 3.73Å; A341-Y523 HydrophobicContact CB-CE2 3.91Å; A341-Y523 HydrophobicContact CB-CG 4.08Å
342T98.6Very high98.1Very high0 Ų027 Ų270%014%0.143CC..SBendtrans-72.5143.6178.2-550000110.4S312 R338 S339 M340 E381 E382 R504S312-T342 WeakPolarHBondContact OG-CG2 3.16Å; R338-T342 HydrophobicContact CB-CG2 4.11Å; R338-T342 PolarHBondContact NH1-O 3.34Å; R338-T342 VanDerWaalsContact NH1-O 3.16Å; S339-T342 VanDerWaalsContact O-CB 3.23Å; S339-T342 WeakPolarHBondContact O-CB 3.46Å; S339-T342 PolarHBondContact O-N 3.29Å; S339-T342 PolarHBondContact O-OG1 3.38Å; S339-T342 PolarHBondContact OG-OG1 3.21Å; M340-T342 VanDerWaalsContact C-N 3.29Å; M340-T342 PolarHBondContact O-N 3.19Å; T342-E381 WeakPolarHBondContact OG1-CA 3.45Å; T342-E382 HydrophobicContact CG2-CB 4.33Å; T342-E382 PolarHBondContact OG1-N 3.49Å; T342-R504 PolarHBondContact O-NH2 3.45Å
343S98.5Very high98.2Very high0 Ų029.1 Ų29.10%015%0.145CC..  trans-56.6153.4-178.799.30000111.8S312 R338 A345S312-S343 VanDerWaalsContact CB-CB 3.43Å; S312-S343 WeakPolarHBondContact CB-OG 3.33Å; S312-S343 PolarHBondContact OG-N 2.88Å; R338-S343 WeakPolarHBondContact CD-O 3.48Å; R338-S343 PolarHBondContact NE-O 3.38Å; S343-A345 PolarHBondContact O-N 3.11Å; S343-A345 VanDerWaalsContact O-N 3.15Å; S343-A345 WeakPolarHBondContact OG-CB 3.4Å; S343-A345 PolarHBondContact OG-N 3.3Å
344A98.3Very high98.3Very high15 Ų1537.1 Ų37.112%0.12418%0.175CC..THydrogen-bonded Turntrans-79.416.3-179.700000113.5L346 D347 R348 E525A344-L346 VanDerWaalsContact C-N 3.33Å; A344-L346 PolarHBondContact O-N 3.08Å; A344-D347 WeakPolarHBondContact CA-OD1 3.45Å; A344-D347 HydrophobicContact CB-CB 4.39Å; A344-D347 VanDerWaalsContact O-CB 3.29Å; A344-D347 WeakPolarHBondContact O-CB 3.43Å; A344-D347 PolarHBondContact O-N 2.95Å; A344-R348 PolarHBondContact O-N 2.87Å; A344-E525 PolarHBondContact N-OE1 3.44Å; A344-E525 PolarHBondContact N-OE2 3.07Å
345A98.8Very high98.4Very high3 Ų332.5 Ų32.53%0.02516%0.16CC..Hα-helixtrans-58.9-44177.200000111.6A316 S343 D347 R348 V349 N428A316-A345 HydrophobicContact CB-CB 3.78Å; S343-A345 PolarHBondContact O-N 3.11Å; S343-A345 VanDerWaalsContact O-N 3.15Å; S343-A345 WeakPolarHBondContact OG-CB 3.4Å; S343-A345 PolarHBondContact OG-N 3.3Å; A345-D347 PolarHBondContact O-N 3.17Å; A345-R348 WeakPolarHBondContact O-CB 3.32Å; A345-R348 PolarHBondContact O-N 3.41Å; A345-V349 PolarHBondContact O-N 3.11Å; A345-N428 HydrophobicContact CB-CB 4.17Å
346L98.8Very high98.4Very high1 Ų134.6 Ų34.61%0.00518%0.178CC..Hα-helixtrans-61.9-31.8178.3-174.958.7000112.2V315 A319 F336 R338 A344 R348 V349 A350 L357V315-L346 HydrophobicContact CG1-CD2 4.34Å; V315-L346 HydrophobicContact CG2-CD1 4.36Å; V315-L346 HydrophobicContact CG2-CD2 3.99Å; A319-L346 HydrophobicContact CB-CD1 3.39Å; F336-L346 HydrophobicContact CB-CD1 4.3Å; F336-L346 HydrophobicContact CB-CD2 4.09Å; F336-L346 HydrophobicContact CB-CG 4.2Å; F336-L346 HydrophobicContact CD2-CD1 4.02Å; F336-L346 HydrophobicContact CG-CD1 4.2Å; R338-L346 HydrophobicContact CB-CD2 4.11Å; A344-L346 VanDerWaalsContact C-N 3.33Å; A344-L346 PolarHBondContact O-N 3.08Å; L346-R348 VanDerWaalsContact C-N 3.31Å; L346-R348 PolarHBondContact O-N 3.1Å; L346-V349 PolarHBondContact O-N 3.33Å; L346-A350 WeakPolarHBondContact O-CB 3.4Å; L346-A350 PolarHBondContact O-N 3.4Å; L346-L357 HydrophobicContact CD2-CD1 4.09Å; L346-L357 HydrophobicContact CG-CD1 3.9Å
347D98.8Very high98.4Very high41 Ų4137 Ų3722%0.21919%0.19CC..Hα-helixtrans-63.7-38.9178.9-48.237.8000111.3R338 A344 A345 V349 A350 K351 L357R338-D347 IonicContact CZ-OD1 3.54Å; R338-D347 IonicContact CZ-OD2 3.43Å; R338-D347 IonicContact NE-OD1 3.62Å; R338-D347 PolarHBondContact NE-OD1 3.42Å; R338-D347 IonicContact NE-OD2 3.24Å; R338-D347 IonicContact NH2-OD1 2.97Å; R338-D347 PolarHBondContact NH2-OD1 3.05Å; R338-D347 IonicContact NH2-OD2 2.86Å; R338-D347 PolarHBondContact NH2-OD2 2.8Å; A344-D347 WeakPolarHBondContact CA-OD1 3.45Å; A344-D347 HydrophobicContact CB-CB 4.39Å; A344-D347 VanDerWaalsContact O-CB 3.29Å; A344-D347 WeakPolarHBondContact O-CB 3.43Å; A344-D347 PolarHBondContact O-N 2.95Å; A345-D347 PolarHBondContact O-N 3.17Å; D347-V349 VanDerWaalsContact C-N 3.3Å; D347-V349 PolarHBondContact O-N 2.91Å; D347-A350 PolarHBondContact O-N 2.86Å; D347-K351 VanDerWaalsContact O-CB 3.31Å; D347-K351 WeakPolarHBondContact O-CB 3.42Å; D347-K351 PolarHBondContact O-N 3.49Å; D347-L357 HydrophobicContact CB-CD2 3.57Å; D347-L357 WeakPolarHBondContact OD1-CD2 3.36Å; D347-L357 WeakPolarHBondContact OD2-CD2 3.33Å
348R98.6Very high98.4Very high72 Ų7239.3 Ų39.327%0.27220%0.199SC..Hα-helixtrans-62.8-42.1177.3-55-56.5-169.3-169.81.6110.4A344 A345 L346 A352 F425 S502A344-R348 PolarHBondContact O-N 2.87Å; A345-R348 WeakPolarHBondContact O-CB 3.32Å; A345-R348 PolarHBondContact O-N 3.41Å; L346-R348 VanDerWaalsContact C-N 3.31Å; L346-R348 PolarHBondContact O-N 3.1Å; R348-A352 WeakPolarHBondContact O-CB 3.32Å; R348-A352 PolarHBondContact O-N 3.26Å; R348-A352 VanDerWaalsContact O-N 3.08Å; R348-F425 HydrophobicContact CB-CB 4.24Å; R348-S502 PolarHBondContact NH2-OG 2.93Å
349V98.8Very high98.4Very high0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-68.1-48.3177.2-178.40000111.2A316 A319 A320 F336 A345 L346 D347 K351 A352 M353 H421 F425A316-V349 HydrophobicContact CB-CG2 4.08Å; A319-V349 HydrophobicContact CB-CG1 3.85Å; A320-V349 HydrophobicContact CB-CG1 3.91Å; A320-V349 HydrophobicContact CB-CG2 4.32Å; F336-V349 HydrophobicContact CE2-CG1 4.4Å; A345-V349 PolarHBondContact O-N 3.11Å; L346-V349 PolarHBondContact O-N 3.33Å; D347-V349 VanDerWaalsContact C-N 3.3Å; D347-V349 PolarHBondContact O-N 2.91Å; V349-K351 VanDerWaalsContact C-N 3.29Å; V349-K351 PolarHBondContact O-N 3.33Å; V349-A352 PolarHBondContact O-N 3.22Å; V349-A352 VanDerWaalsContact O-N 3.11Å; V349-M353 HydrophobicContact CG1-CG 4.27Å; V349-M353 HydrophobicContact CG1-SD 3.63Å; V349-M353 WeakPolarHBondContact O-CB 3.5Å; V349-M353 WeakPolarHBondContact O-CG 3.5Å; V349-M353 PolarHBondContact O-N 3.23Å; V349-H421 VanDerWaalsContact CG2-CE1 3.49Å; V349-H421 WeakPolarHBondContact CG2-CE1 3.5Å; V349-F425 HydrophobicContact CG2-CD2 4.35Å; V349-F425 HydrophobicContact CG2-CE2 4.32Å; V349-F425 HydrophobicContact CG2-CG 4.47Å; V349-F425 HydrophobicContact CG2-CZ 4.43Å
350A98.7Very high98.3Very high2 Ų241.3 Ų41.32%0.01721%0.209CC..Hα-helixtrans-54.8-46.7177.600000111.4F336 L346 D347 A352 M353 K354 L355 L357F336-A350 HydrophobicContact CD2-CB 3.83Å; L346-A350 WeakPolarHBondContact O-CB 3.4Å; L346-A350 PolarHBondContact O-N 3.4Å; D347-A350 PolarHBondContact O-N 2.86Å; A350-A352 PolarHBondContact O-N 2.93Å; A350-M353 CarbonylContact O-C 3.6Å; A350-M353 PolarHBondContact O-N 2.82Å; A350-K354 PolarHBondContact O-N 2.73Å; A350-L355 PolarHBondContact O-N 3.01Å; A350-L357 HydrophobicContact CB-CB 3.9Å; A350-L357 HydrophobicContact CB-CD1 4.07Å; A350-L357 HydrophobicContact CB-CG 4.47Å
351K98.5Very high98.2Very high168 Ų16841.3 Ų41.373%0.7321%0.209SC*.Hα-helixtrans-61-44.4176.5-176175.4-179.61760112.1D347 V349 M353 K354D347-K351 VanDerWaalsContact O-CB 3.31Å; D347-K351 WeakPolarHBondContact O-CB 3.42Å; D347-K351 PolarHBondContact O-N 3.49Å; V349-K351 VanDerWaalsContact C-N 3.29Å; V349-K351 PolarHBondContact O-N 3.33Å; K351-M353 VanDerWaalsContact C-N 3.33Å; K351-K354 PolarHBondContact O-N 3.05Å
352A98.4Very high97.8Very high59 Ų5942.2 Ų42.249%0.48821%0.214SC..Hα-helixtrans-66.9-35.4179.200000112.6R348 V349 A350 K354 F425R348-A352 WeakPolarHBondContact O-CB 3.32Å; R348-A352 PolarHBondContact O-N 3.26Å; R348-A352 VanDerWaalsContact O-N 3.08Å; V349-A352 PolarHBondContact O-N 3.22Å; V349-A352 VanDerWaalsContact O-N 3.11Å; A350-A352 PolarHBondContact O-N 2.93Å; A352-K354 VanDerWaalsContact C-N 3.31Å; A352-F425 HydrophobicContact CB-CD1 4.38Å; A352-F425 HydrophobicContact CB-CE1 3.64Å
353M98.1Very high97.2Very high80 Ų8042.4 Ų42.439%0.39422%0.216SC..Hα-helixtrans-83.2-6.3176.8-66.1179.770.600113.4A319 F336 V349 A350 K351 L355A319-M353 VanDerWaalsContact O-SD 3.41Å; F336-M353 HydrophobicContact CE2-SD 3.88Å; F336-M353 HydrophobicContact CZ-CE 4.15Å; F336-M353 HydrophobicContact CZ-SD 3.98Å; V349-M353 HydrophobicContact CG1-CG 4.27Å; V349-M353 HydrophobicContact CG1-SD 3.63Å; V349-M353 WeakPolarHBondContact O-CB 3.5Å; V349-M353 WeakPolarHBondContact O-CG 3.5Å; V349-M353 PolarHBondContact O-N 3.23Å; A350-M353 CarbonylContact O-C 3.6Å; A350-M353 PolarHBondContact O-N 2.82Å; K351-M353 VanDerWaalsContact C-N 3.33Å; M353-L355 HydrophobicContact CB-CD1 4.09Å; M353-L355 HydrophobicContact CB-CG 4.14Å; M353-L355 HydrophobicContact CE-CD1 3.95Å; M353-L355 PolarHBondContact O-N 2.88Å
354K98.2Very high96.8Very high193 Ų19342.6 Ų42.684%0.83922%0.217SC*.THydrogen-bonded Turntrans56.438.3-174.7-53.9177.8-179178.40112.7A350 K351 A352A350-K354 PolarHBondContact O-N 2.73Å; K351-K354 PolarHBondContact O-N 3.05Å; A352-K354 VanDerWaalsContact C-N 3.31Å
355L97.9Very high96.1Very high43 Ų4343.9 Ų43.923%0.22522%0.218CC..  trans-102.5150.7175.3-69.7174.6000110.7A333 F336 A350 M353A333-L355 HydrophobicContact CB-CD1 3.87Å; A333-L355 WeakPolarHBondContact O-CD2 3.24Å; F336-L355 HydrophobicContact CD2-CD1 4.46Å; F336-L355 HydrophobicContact CE1-CD1 4.07Å; F336-L355 HydrophobicContact CE2-CB 4.44Å; F336-L355 HydrophobicContact CE2-CD1 3.72Å; F336-L355 HydrophobicContact CZ-CD1 3.49Å; F336-L355 VanDerWaalsContact CZ-CD1 3.49Å; A350-L355 PolarHBondContact O-N 3.01Å; M353-L355 HydrophobicContact CB-CD1 4.09Å; M353-L355 HydrophobicContact CB-CG 4.14Å; M353-L355 HydrophobicContact CE-CD1 3.95Å; M353-L355 PolarHBondContact O-N 2.88Å
356A98.2Very high95.7Very high44 Ų4444.7 Ų44.736%0.36422%0.221SC..EExtended strand (participates in β ladder)trans-61.7143.6172.100000110.5G335 F336 Y358G335-A356 CarbonylContact C-O 3.59Å; G335-A356 WeakPolarHBondContact CA-O 3.26Å; F336-A356 PolarHBondContact N-O 3.27Å; A356-Y358 HydrophobicContact CB-CE2 3.96Å
357L98.6Very high95.5Very high50 Ų5044.6 Ų44.626%0.26222%0.22SC..EExtended strand (participates in β ladder)trans-124.3131.4172-176.883.9000109.3F336 L346 D347 A350F336-L357 HydrophobicContact CB-CD1 3.85Å; F336-L357 CarbonylContact O-C 3.5Å; F336-L357 VanDerWaalsContact O-CA 3.28Å; F336-L357 WeakPolarHBondContact O-CA 3.47Å; L346-L357 HydrophobicContact CD2-CD1 4.09Å; L346-L357 HydrophobicContact CG-CD1 3.9Å; D347-L357 HydrophobicContact CB-CD2 3.57Å; D347-L357 WeakPolarHBondContact OD1-CD2 3.36Å; D347-L357 WeakPolarHBondContact OD2-CD2 3.33Å; A350-L357 HydrophobicContact CB-CB 3.9Å; A350-L357 HydrophobicContact CB-CD1 4.07Å; A350-L357 HydrophobicContact CB-CG 4.47Å
358Y98.6Very high95.2Very high49 Ų4942.7 Ų42.719%0.19221%0.21CC..EExtended strand (participates in β ladder)trans-109.7127.9174.1-60.3-86.5000110.5F336 A337 R338 A356 L370 R375 P484F336-Y358 WeakPolarHBondContact O-CD2 3.26Å; F336-Y358 PolarHBondContact O-N 3.28Å; A337-Y358 CarbonylContact C-O 3.52Å; A337-Y358 WeakPolarHBondContact CA-O 3.34Å; R338-Y358 PolarHBondContact N-O 3.47Å; A356-Y358 HydrophobicContact CB-CE2 3.96Å; Y358-L370 HydrophobicContact CD1-CD1 4.34Å; Y358-L370 HydrophobicContact CD1-CD2 3.9Å; Y358-L370 HydrophobicContact CD2-CD1 4.22Å; Y358-L370 HydrophobicContact CD2-CD2 4.43Å; Y358-L370 HydrophobicContact CE1-CD2 4.14Å; Y358-L370 HydrophobicContact CG-CD1 3.79Å; Y358-L370 HydrophobicContact CG-CD2 4.06Å; Y358-R375 HydrophobicContact CE2-CB 3.87Å; Y358-R375 WeakPolarHBondContact CE2-O 3.26Å; Y358-P484 HydrophobicContact CE1-CG 4.47Å
359E98.4Very high94.9Very high45 Ų4540 Ų4021%0.2120%0.201CC..EExtended strand (participates in β ladder)trans-99.9112.5169.8-174.5174.2-12200108.5R338 M340 F479 Y481 R496 R504R338-E359 IonicContact CZ-OE1 2.7Å; R338-E359 VanDerWaalsContact CZ-OE1 3.3Å; R338-E359 IonicContact NH1-OE1 3.28Å; R338-E359 PolarHBondContact NH1-OE1 3.34Å; R338-E359 IonicContact NH2-OE1 3.21Å; R338-E359 PolarHBondContact NH2-OE1 2.93Å; R338-E359 WeakPolarHBondContact O-CA 3.45Å; M340-E359 HydrophobicContact CB-CG 3.9Å; M340-E359 HydrophobicContact CG-CG 4.24Å; E359-F479 HydrophobicContact CG-CE2 4.32Å; E359-F479 HydrophobicContact CG-CZ 4.06Å; E359-Y481 WeakPolarHBondContact O-CD2 3.34Å; E359-R496 IonicContact OE1-NH1 2.68Å; E359-R496 PolarHBondContact OE1-NH1 3.08Å; E359-R496 IonicContact OE2-CZ 2.72Å; E359-R496 IonicContact OE2-NH1 2.86Å; E359-R496 PolarHBondContact OE2-NH1 2.88Å; E359-R496 IonicContact OE2-NH2 3.61Å; E359-R496 PolarHBondContact OE2-NH2 3.23Å; E359-R504 IonicContact OE1-NH1 2.67Å; E359-R504 PolarHBondContact OE1-NH1 2.72Å
360T97.4Very high94.7Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-108.6166-175.967.50000111.1R338 S339 M340 F367 L370 Y481R338-T360 PolarHBondContact O-N 3.37Å; S339-T360 CarbonylContact C-O 3.58Å; S339-T360 VanDerWaalsContact CA-O 3.29Å; S339-T360 WeakPolarHBondContact CA-O 3.5Å; M340-T360 WeakPolarHBondContact CB-O 3.46Å; M340-T360 PolarHBondContact N-O 2.94Å; T360-F367 HydrophobicContact CG2-CD1 3.94Å; T360-F367 HydrophobicContact CG2-CE1 3.86Å; T360-F367 WeakPolarHBondContact OG1-CE1 3.43Å; T360-L370 HydrophobicContact CG2-CD1 3.76Å; T360-Y481 HydrophobicContact CG2-CE2 4.12Å
361P94.4Very high94.6Very high1 Ų140.1 Ų40.11%0.00620%0.202CC..  trans-63.3161.9163.3-15.630.2000110.8Y366 F479 Y481 A490 Q493P361-Y366 HydrophobicContact CB-CD2 3.89Å; P361-Y366 HydrophobicContact CB-CE2 3.49Å; P361-Y366 VanDerWaalsContact CB-CE2 3.49Å; P361-Y366 HydrophobicContact CG-CD1 4.22Å; P361-Y366 HydrophobicContact CG-CD2 4.08Å; P361-Y366 HydrophobicContact CG-CE1 3.91Å; P361-Y366 HydrophobicContact CG-CE2 3.81Å; P361-Y366 HydrophobicContact CG-CG 4.29Å; P361-Y366 WeakPolarHBondContact O-CD2 3.46Å; P361-F479 HydrophobicContact CG-CE1 4.21Å; P361-Y481 VanDerWaalsContact CD-CG 3.45Å; P361-Y481 HydrophobicContact CG-CD1 4.07Å; P361-Y481 HydrophobicContact CG-CG 3.92Å; P361-A490 HydrophobicContact CG-CB 4.07Å; P361-Q493 HydrophobicContact CB-CB 3.96Å; P361-Q493 HydrophobicContact CB-CG 3.72Å; P361-Q493 VanDerWaalsContact CB-OE1 3.28Å; P361-Q493 HydrophobicContact CG-CB 4.34Å; P361-Q493 HydrophobicContact CG-CG 3.81Å
362T89.9Confident94.4Very high21 Ų2135.9 Ų35.913%0.12919%0.187CC..SBendtrans-71.9137.5175.5-57.60000110.9E381 R508T362-E381 WeakPolarHBondContact CA-OE1 3.3Å; T362-E381 WeakPolarHBondContact CG2-OE1 3.49Å; T362-R508 VanDerWaalsContact CB-CZ 3.41Å; T362-R508 VanDerWaalsContact OG1-CZ 3.27Å; T362-R508 PolarHBondContact OG1-NH1 3.49Å
363G85.8Confident94.3Very high3 Ų335.4 Ų35.43%0.03118%0.18CC..SBendtrans123.3124.3-172.800000109.9R365 Y366 E381G363-R365 PolarHBondContact O-N 3.42Å; G363-R365 VanDerWaalsContact O-N 3.08Å; G363-Y366 WeakPolarHBondContact O-CD2 3.49Å; G363-Y366 PolarHBondContact O-N 2.91Å; G363-E381 PolarHBondContact N-OE1 2.97Å
364W89.3Confident94.3Very high4 Ų432.4 Ų32.42%0.01517%0.17CC..THydrogen-bonded Turntrans-57.8-31.3-170.8-160.5-101.7000113.9E141 Y366 F367 M371 C379 R392 E393 K394E141-W364 VanDerWaalsContact OE1-CD1 3.25Å; W364-Y366 PolarHBondContact O-N 3.38Å; W364-F367 AromaticContact CD2-CD2 3.56Å; W364-F367 HydrophobicContact CD2-CD2 3.56Å; W364-F367 HydrophobicContact CD2-CE2 4.18Å; W364-F367 AromaticContact CE3-CD2 3.26Å; W364-F367 HydrophobicContact CE3-CD2 3.26Å; W364-F367 AromaticContact CE3-CE2 3.41Å; W364-F367 HydrophobicContact CE3-CE2 3.41Å; W364-F367 VanDerWaalsContact CE3-CE2 3.41Å; W364-F367 HydrophobicContact CG-CD2 4.15Å; W364-F367 HydrophobicContact CH2-CD2 4.22Å; W364-F367 HydrophobicContact CZ2-CD2 4.46Å; W364-F367 AromaticContact CZ3-CD2 3.61Å; W364-F367 HydrophobicContact CZ3-CD2 3.61Å; W364-F367 AromaticContact CZ3-CE2 3.61Å; W364-F367 HydrophobicContact CZ3-CE2 3.61Å; W364-F367 WeakPolarHBondContact O-CA 3.49Å; W364-F367 WeakPolarHBondContact O-CB 3.36Å; W364-F367 WeakPolarHBondContact O-CD2 3.45Å; W364-F367 PolarHBondContact O-N 3.01Å; W364-M371 HydrophobicContact CZ2-CE 3.91Å; W364-C379 HydrophobicContact CH2-CB 4.41Å; W364-C379 WeakPolarHBondContact CH2-SG 3.37Å; W364-C379 WeakPolarHBondContact CZ2-SG 3.25Å; W364-R392 VanDerWaalsContact CD1-O 3.24Å; W364-R392 PolarHBondContact NE1-O 3.34Å; W364-E393 WeakPolarHBondContact CZ2-O 3.46Å; W364-E393 VanDerWaalsContact NE1-CA 3.27Å; W364-E393 PolarHBondContact NE1-O 2.85Å; W364-K394 HydrophobicContact CD2-CB 4.46Å; W364-K394 HydrophobicContact CD2-CD 4.36Å; W364-K394 HydrophobicContact CD2-CG 3.45Å; W364-K394 VanDerWaalsContact CD2-CG 3.45Å; W364-K394 HydrophobicContact CE3-CB 4.35Å; W364-K394 HydrophobicContact CE3-CD 3.78Å; W364-K394 HydrophobicContact CE3-CG 3.08Å; W364-K394 HydrophobicContact CG-CG 4.18Å; W364-K394 HydrophobicContact CH2-CB 4.45Å; W364-K394 HydrophobicContact CH2-CG 3.81Å; W364-K394 HydrophobicContact CZ2-CG 4.12Å; W364-K394 HydrophobicContact CZ3-CB 4.38Å; W364-K394 HydrophobicContact CZ3-CD 4.2Å; W364-K394 HydrophobicContact CZ3-CG 3.32Å
365R83.7Confident94.2Very high42 Ų4228.1 Ų28.116%0.15815%0.148CC..Hα-helixtrans-44.9-32.2179.771.9179.8177.8-154.30.9116.6E141 G363 F367E141-R365 VanDerWaalsContact CD-CA 3.5Å; E141-R365 WeakPolarHBondContact OE1-CA 3.3Å; E141-R365 PolarHBondContact OE1-N 3.41Å; G363-R365 PolarHBondContact O-N 3.42Å; G363-R365 VanDerWaalsContact O-N 3.08Å; R365-F367 VanDerWaalsContact C-N 3.31Å
366Y90.9Very high94.2Very high20 Ų2026.1 Ų26.18%0.07814%0.137CC..Hα-helixtrans-75-25.8179.9-61.8-75.3000112P361 G363 W364 Y481 A490P361-Y366 HydrophobicContact CB-CD2 3.89Å; P361-Y366 HydrophobicContact CB-CE2 3.49Å; P361-Y366 VanDerWaalsContact CB-CE2 3.49Å; P361-Y366 HydrophobicContact CG-CD1 4.22Å; P361-Y366 HydrophobicContact CG-CD2 4.08Å; P361-Y366 HydrophobicContact CG-CE1 3.91Å; P361-Y366 HydrophobicContact CG-CE2 3.81Å; P361-Y366 HydrophobicContact CG-CG 4.29Å; P361-Y366 WeakPolarHBondContact O-CD2 3.46Å; G363-Y366 WeakPolarHBondContact O-CD2 3.49Å; G363-Y366 PolarHBondContact O-N 2.91Å; W364-Y366 PolarHBondContact O-N 3.38Å; Y366-Y481 AromaticContact CD1-CD1 3.98Å; Y366-Y481 HydrophobicContact CD1-CD1 3.98Å; Y366-Y481 AromaticContact CD1-CE1 3.82Å; Y366-Y481 HydrophobicContact CD1-CE1 3.82Å; Y366-Y481 HydrophobicContact CE1-CD1 4.25Å; Y366-Y481 HydrophobicContact CE1-CE1 4.49Å; Y366-A490 HydrophobicContact CE1-CB 4.04Å
367F94.6Very high94.2Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-75.4-35176.1-54.8-48.9000112A337 T360 W364 R365 N369 L370 M371 C379 E381A337-F367 HydrophobicContact CB-CD1 3.5Å; A337-F367 VanDerWaalsContact CB-CD1 3.5Å; A337-F367 HydrophobicContact CB-CE1 3.57Å; T360-F367 HydrophobicContact CG2-CD1 3.94Å; T360-F367 HydrophobicContact CG2-CE1 3.86Å; T360-F367 WeakPolarHBondContact OG1-CE1 3.43Å; W364-F367 AromaticContact CD2-CD2 3.56Å; W364-F367 HydrophobicContact CD2-CD2 3.56Å; W364-F367 HydrophobicContact CD2-CE2 4.18Å; W364-F367 AromaticContact CE3-CD2 3.26Å; W364-F367 HydrophobicContact CE3-CD2 3.26Å; W364-F367 AromaticContact CE3-CE2 3.41Å; W364-F367 HydrophobicContact CE3-CE2 3.41Å; W364-F367 VanDerWaalsContact CE3-CE2 3.41Å; W364-F367 HydrophobicContact CG-CD2 4.15Å; W364-F367 HydrophobicContact CH2-CD2 4.22Å; W364-F367 HydrophobicContact CZ2-CD2 4.46Å; W364-F367 AromaticContact CZ3-CD2 3.61Å; W364-F367 HydrophobicContact CZ3-CD2 3.61Å; W364-F367 AromaticContact CZ3-CE2 3.61Å; W364-F367 HydrophobicContact CZ3-CE2 3.61Å; W364-F367 WeakPolarHBondContact O-CA 3.49Å; W364-F367 WeakPolarHBondContact O-CB 3.36Å; W364-F367 WeakPolarHBondContact O-CD2 3.45Å; W364-F367 PolarHBondContact O-N 3.01Å; R365-F367 VanDerWaalsContact C-N 3.31Å; F367-N369 VanDerWaalsContact C-N 3.35Å; F367-N369 PolarHBondContact O-N 3.16Å; F367-L370 CarbonylContact O-C 3.47Å; F367-L370 WeakPolarHBondContact O-CA 3.47Å; F367-L370 WeakPolarHBondContact O-CB 3.46Å; F367-L370 PolarHBondContact O-N 3.3Å; F367-M371 HydrophobicContact CB-CE 4.11Å; F367-M371 WeakPolarHBondContact O-CG 3.37Å; F367-M371 PolarHBondContact O-N 2.95Å; F367-C379 HydrophobicContact CB-CB 4.44Å; F367-C379 HydrophobicContact CD1-CB 3.83Å; F367-C379 HydrophobicContact CD2-CB 4.15Å; F367-C379 HydrophobicContact CE1-CB 4.02Å; F367-C379 HydrophobicContact CE2-CB 4.33Å; F367-C379 HydrophobicContact CG-CB 3.89Å; F367-C379 VanDerWaalsContact CG-SG 3.59Å; F367-C379 HydrophobicContact CZ-CB 4.26Å; F367-E381 HydrophobicContact CE2-CG 3.75Å; F367-E381 HydrophobicContact CZ-CG 4.04Å
368G91.9Very high94.2Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-61.3-40-179.300000113.8E141 L370 M371 D372E141-G368 PolarHBondContact OE1-N 2.99Å; E141-G368 VanDerWaalsContact OE2-CA 3.22Å; E141-G368 WeakPolarHBondContact OE2-CA 3.45Å; G368-L370 VanDerWaalsContact C-N 3.31Å; G368-L370 PolarHBondContact O-N 3.42Å; G368-M371 PolarHBondContact O-N 2.96Å; G368-M371 VanDerWaalsContact O-N 3.14Å; G368-D372 WeakPolarHBondContact O-CB 3.29Å; G368-D372 PolarHBondContact O-N 3.16Å
369N91.9Very high94.2Very high16 Ų1619.3 Ų19.39%0.08610%0.099CC..Hα-helixtrans-56.7-45.5171.1-81.4-4.8000111.4F367 M371 D372 S373 D483 V485 D486F367-N369 VanDerWaalsContact C-N 3.35Å; F367-N369 PolarHBondContact O-N 3.16Å; N369-M371 VanDerWaalsContact C-N 3.35Å; N369-M371 PolarHBondContact O-N 3.03Å; N369-D372 PolarHBondContact O-N 3.07Å; N369-S373 WeakPolarHBondContact O-CB 3.29Å; N369-S373 PolarHBondContact O-N 2.84Å; N369-S373 PolarHBondContact O-OG 3.18Å; N369-D483 VanDerWaalsContact ND2-CG 3.33Å; N369-D483 PolarHBondContact ND2-OD2 2.89Å; N369-V485 HydrophobicContact CB-CB 4.25Å; N369-V485 HydrophobicContact CB-CG2 4.16Å; N369-V485 WeakPolarHBondContact O-CG2 3.42Å; N369-D486 PolarHBondContact ND2-OD2 3.43Å
370L96.1Very high94.2Very high0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-65.6-36177.3-61.1173.7000112.3A337 Y358 T360 F367 G368 S373 G374 R375 C376 P484A337-L370 HydrophobicContact CB-CD1 4.02Å; Y358-L370 HydrophobicContact CD1-CD1 4.34Å; Y358-L370 HydrophobicContact CD1-CD2 3.9Å; Y358-L370 HydrophobicContact CD2-CD1 4.22Å; Y358-L370 HydrophobicContact CD2-CD2 4.43Å; Y358-L370 HydrophobicContact CE1-CD2 4.14Å; Y358-L370 HydrophobicContact CG-CD1 3.79Å; Y358-L370 HydrophobicContact CG-CD2 4.06Å; T360-L370 HydrophobicContact CG2-CD1 3.76Å; F367-L370 CarbonylContact O-C 3.47Å; F367-L370 WeakPolarHBondContact O-CA 3.47Å; F367-L370 WeakPolarHBondContact O-CB 3.46Å; F367-L370 PolarHBondContact O-N 3.3Å; G368-L370 VanDerWaalsContact C-N 3.31Å; G368-L370 PolarHBondContact O-N 3.42Å; L370-S373 PolarHBondContact O-OG 3.15Å; L370-G374 PolarHBondContact O-N 3.43Å; L370-R375 HydrophobicContact CB-CB 4.46Å; L370-R375 HydrophobicContact CD2-CB 4.33Å; L370-R375 WeakPolarHBondContact O-CA 3.48Å; L370-R375 WeakPolarHBondContact O-CB 3.37Å; L370-R375 PolarHBondContact O-N 3Å; L370-C376 HydrophobicContact CB-CB 3.61Å; L370-C376 PolarHBondContact O-N 3.15Å; L370-P484 HydrophobicContact CD2-CG 3.57Å
371M96.4Very high94.2Very high5 Ų517.5 Ų17.53%0.0259%0.09CC..Hα-helixtrans-71.1-43175.5-66.7177.1-172.200111.8W364 F367 G368 N369 G374 C379 D389W364-M371 HydrophobicContact CZ2-CE 3.91Å; F367-M371 HydrophobicContact CB-CE 4.11Å; F367-M371 WeakPolarHBondContact O-CG 3.37Å; F367-M371 PolarHBondContact O-N 2.95Å; G368-M371 PolarHBondContact O-N 2.96Å; G368-M371 VanDerWaalsContact O-N 3.14Å; N369-M371 VanDerWaalsContact C-N 3.35Å; N369-M371 PolarHBondContact O-N 3.03Å; M371-G374 PolarHBondContact O-N 2.84Å; M371-C379 WeakPolarHBondContact CE-SG 3.43Å; M371-D389 HydrophobicContact CB-CB 4.11Å; M371-D389 HydrophobicContact CG-CB 4.02Å; M371-D389 HydrophobicContact SD-CB 4.24Å
372D94.3Very high94.4Very high79 Ų7917.5 Ų17.542%0.4229%0.09SC..Hα-helixtrans-65.7-38.1-179.9-75.4-21.2000111.7N139 G368 N369 G374 R392N139-D372 PolarHBondContact ND2-OD2 3.45Å; G368-D372 WeakPolarHBondContact O-CB 3.29Å; G368-D372 PolarHBondContact O-N 3.16Å; N369-D372 PolarHBondContact O-N 3.07Å; D372-G374 PolarHBondContact O-N 2.8Å; D372-R392 IonicContact OD1-CZ 3.49Å; D372-R392 IonicContact OD1-NE 3.13Å; D372-R392 PolarHBondContact OD1-NE 2.95Å; D372-R392 IonicContact OD1-NH2 3.95Å; D372-R392 PolarHBondContact OD1-NH2 3.45Å; D372-R392 IonicContact OD2-NE 3.97Å
373S96.1Very high94.6Very high49 Ų4916.9 Ų16.934%0.3439%0.086SC..THydrogen-bonded Turntrans-77.2-1.9172.360.40000114.2N369 L370 R375 V485N369-S373 WeakPolarHBondContact O-CB 3.29Å; N369-S373 PolarHBondContact O-N 2.84Å; N369-S373 PolarHBondContact O-OG 3.18Å; L370-S373 PolarHBondContact O-OG 3.15Å; S373-R375 VanDerWaalsContact C-N 3.27Å; S373-R375 PolarHBondContact O-N 3.36Å; S373-R375 WeakPolarHBondContact OG-CD 3.38Å; S373-R375 WeakPolarHBondContact OG-CG 3.46Å; S373-V485 VanDerWaalsContact OG-CG2 3.26Å; S373-V485 WeakPolarHBondContact OG-CG2 3.38Å
374G96.8Very high95.2Very high17 Ų1716.9 Ų16.918%0.1759%0.086CC..THydrogen-bonded Turntrans6921.4-179.200000114.5R334 L370 M371 D372R334-G374 WeakPolarHBondContact CB-O 3.38Å; R334-G374 WeakPolarHBondContact CD-O 3.38Å; R334-G374 VanDerWaalsContact NH1-CA 3.29Å; L370-G374 PolarHBondContact O-N 3.43Å; M371-G374 PolarHBondContact O-N 2.84Å; D372-G374 PolarHBondContact O-N 2.8Å
375R97.9Very high95.5Very high103 Ų10316.7 Ų16.739%0.3899%0.085SC..SBendtrans-86.8-26.9178.1-66.6176.9-179-80.17.8113.1G335 Y358 L370 S373G335-R375 WeakPolarHBondContact CA-O 3.43Å; G335-R375 PolarHBondContact N-O 3.31Å; Y358-R375 HydrophobicContact CE2-CB 3.87Å; Y358-R375 WeakPolarHBondContact CE2-O 3.26Å; L370-R375 HydrophobicContact CB-CB 4.46Å; L370-R375 HydrophobicContact CD2-CB 4.33Å; L370-R375 WeakPolarHBondContact O-CA 3.48Å; L370-R375 WeakPolarHBondContact O-CB 3.37Å; L370-R375 PolarHBondContact O-N 3Å; S373-R375 VanDerWaalsContact C-N 3.27Å; S373-R375 PolarHBondContact O-N 3.36Å; S373-R375 WeakPolarHBondContact OG-CD 3.38Å; S373-R375 WeakPolarHBondContact OG-CG 3.46Å
376C97.6Very high96.2Very high0 Ų014.7 Ų14.70%08%0.077CC..  trans-127.4137.1-177.1-179.60000111.3L370 L378L370-C376 HydrophobicContact CB-CB 3.61Å; L370-C376 PolarHBondContact O-N 3.15Å; C376-L378 PolarHBondContact SG-O 3.32Å; C376-L378 VanDerWaalsContact SG-O 3.37Å
377S97.8Very high96.6Very high1 Ų113.7 Ų13.71%0.0077%0.074CC..SBendtrans-118.8-24.3175.1-60.60000113.2R334 G335 S388 D389R334-S377 WeakPolarHBondContact CG-OG 3.26Å; R334-S377 PolarHBondContact N-OG 2.85Å; G335-S377 PolarHBondContact O-N 3.48Å; S377-S388 WeakPolarHBondContact O-CA 3.44Å; S377-S388 WeakPolarHBondContact O-CB 3.17Å; S377-D389 PolarHBondContact O-N 3.45Å; S377-D389 PolarHBondContact OG-OD2 2.88Å
378L98.6Very high96.8Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-137.3133.5176.1178.382000109.2V315 I318 A319 L322 F336 A337 C376 T386 W398V315-L378 HydrophobicContact CG2-CD2 4.15Å; V315-L378 HydrophobicContact CG2-CG 4.3Å; I318-L378 HydrophobicContact CG2-CD1 4.03Å; I318-L378 HydrophobicContact CG2-CD2 4.23Å; A319-L378 HydrophobicContact CB-CD2 3.56Å; L322-L378 HydrophobicContact CD1-CD2 4.32Å; L322-L378 HydrophobicContact CD2-CD1 4.43Å; L322-L378 HydrophobicContact CD2-CD2 4.19Å; F336-L378 VanDerWaalsContact CA-O 3.28Å; F336-L378 WeakPolarHBondContact CA-O 3.36Å; F336-L378 HydrophobicContact CD1-CB 3.78Å; F336-L378 HydrophobicContact CD1-CD2 4.28Å; F336-L378 HydrophobicContact CE1-CB 3.98Å; F336-L378 HydrophobicContact CE1-CD2 4.19Å; A337-L378 PolarHBondContact N-O 3.25Å; C376-L378 PolarHBondContact SG-O 3.32Å; C376-L378 VanDerWaalsContact SG-O 3.37Å; L378-T386 HydrophobicContact CD1-CG2 4.28Å; L378-W398 HydrophobicContact CD1-CH2 3.47Å; L378-W398 VanDerWaalsContact CD1-CH2 3.47Å; L378-W398 HydrophobicContact CD1-CZ2 4.41Å; L378-W398 HydrophobicContact CD1-CZ3 4.11Å
379C98.5Very high97Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-144.9162.4174.657.30000113A337 W364 F367 M371 T386 G387A337-C379 HydrophobicContact CB-CB 3.85Å; A337-C379 WeakPolarHBondContact O-CA 3.47Å; A337-C379 WeakPolarHBondContact O-CB 3.06Å; W364-C379 HydrophobicContact CH2-CB 4.41Å; W364-C379 WeakPolarHBondContact CH2-SG 3.37Å; W364-C379 WeakPolarHBondContact CZ2-SG 3.25Å; F367-C379 HydrophobicContact CB-CB 4.44Å; F367-C379 HydrophobicContact CD1-CB 3.83Å; F367-C379 HydrophobicContact CD2-CB 4.15Å; F367-C379 HydrophobicContact CE1-CB 4.02Å; F367-C379 HydrophobicContact CE2-CB 4.33Å; F367-C379 HydrophobicContact CG-CB 3.89Å; F367-C379 VanDerWaalsContact CG-SG 3.59Å; F367-C379 HydrophobicContact CZ-CB 4.26Å; M371-C379 WeakPolarHBondContact CE-SG 3.43Å; C379-T386 WeakPolarHBondContact O-CA 3.38Å; C379-T386 WeakPolarHBondContact O-CG2 3.46Å; C379-G387 PolarHBondContact N-O 3.21Å; C379-G387 PolarHBondContact O-N 2.82Å
380G98.3Very high97.3Very high0 Ų014.5 Ų14.50%08%0.077CC..EExtended strand (participates in β ladder)trans-158.8162.3-179.800000114A337 R338 S339 G385A337-G380 PolarHBondContact O-N 3.19Å; R338-G380 VanDerWaalsContact CA-O 3.32Å; R338-G380 WeakPolarHBondContact CA-O 3.49Å; S339-G380 PolarHBondContact N-O 3.03Å; G380-G385 CarbonylContact C-O 3.58Å; G380-G385 WeakPolarHBondContact CA-O 3.32Å
381E98.3Very high97.4Very high7 Ų714.5 Ų14.53%0.0338%0.077CC..EExtended strand (participates in β ladder)trans-130.8144177.4-59.4-170.910700110.1T342 T362 G363 F367 S383 F384 G385T342-E381 WeakPolarHBondContact OG1-CA 3.45Å; T362-E381 WeakPolarHBondContact CA-OE1 3.3Å; T362-E381 WeakPolarHBondContact CG2-OE1 3.49Å; G363-E381 PolarHBondContact N-OE1 2.97Å; F367-E381 HydrophobicContact CE2-CG 3.75Å; F367-E381 HydrophobicContact CZ-CG 4.04Å; E381-S383 PolarHBondContact O-N 3.43Å; E381-F384 PolarHBondContact O-N 3.19Å; E381-G385 PolarHBondContact N-O 3.15Å; E381-G385 PolarHBondContact O-N 2.87Å
382E97.2Very high97.4Very high1 Ų115 Ų151%0.0058%0.079CC..THydrogen-bonded Turntrans-54.7-23.9174.862.276.8-15000113.5P311 T342 F384 F430 R432 Y523P311-E382 WeakPolarHBondContact CB-O 3.47Å; P311-E382 WeakPolarHBondContact CG-O 3.28Å; T342-E382 HydrophobicContact CG2-CB 4.33Å; T342-E382 PolarHBondContact OG1-N 3.49Å; E382-F384 PolarHBondContact O-N 3.49Å; E382-F430 HydrophobicContact CB-CE1 3.76Å; E382-F430 HydrophobicContact CB-CZ 3.81Å; E382-F430 HydrophobicContact CG-CE1 4.27Å; E382-F430 HydrophobicContact CG-CZ 4.01Å; E382-R432 IonicContact OE1-NH1 3.95Å; E382-R432 PolarHBondContact OE1-NH1 3.49Å; E382-R432 WeakPolarHBondContact OE2-CD 3.43Å; E382-R432 IonicContact OE2-CZ 2.99Å; E382-R432 IonicContact OE2-NE 3.18Å; E382-R432 IonicContact OE2-NH1 3.7Å; E382-R432 PolarHBondContact OE2-NH1 3.45Å; E382-Y523 HydrophobicContact CG-CD1 4.27Å; E382-Y523 HydrophobicContact CG-CE1 4.05Å; E382-Y523 WeakPolarHBondContact OE1-CE1 3.16Å
383S94.9Very high97.5Very high7 Ų711.7 Ų11.75%0.0496%0.061CC..THydrogen-bonded Turntrans-78.344.6177.664.90000112.6E381 G385E381-S383 PolarHBondContact O-N 3.43Å; S383-G385 VanDerWaalsContact C-N 3.28Å; S383-G385 PolarHBondContact O-N 2.74Å
384F97.6Very high97.6Very high3 Ų39.6 Ų9.61%0.0135%0.045CC..THydrogen-bonded Turntrans61.131.2175.2-63-81.9000114.1P269 N270 R298 Y299 M300 F308 P311 E381 E382 T568P269-F384 WeakPolarHBondContact O-CD1 3.33Å; P269-F384 WeakPolarHBondContact O-CE1 3.47Å; P269-F384 WeakPolarHBondContact O-CG 3.38Å; P269-F384 WeakPolarHBondContact O-CZ 3.37Å; N270-F384 HydrophobicContact CB-CE2 3.64Å; N270-F384 HydrophobicContact CB-CZ 3.66Å; R298-F384 CarbonylContact C-O 3.35Å; R298-F384 WeakPolarHBondContact CA-O 3.34Å; R298-F384 HydrophobicContact CB-CB 4.13Å; R298-F384 WeakPolarHBondContact CB-O 3.48Å; Y299-F384 WeakPolarHBondContact CD1-O 3.46Å; Y299-F384 PolarHBondContact N-O 3.41Å; Y299-F384 VanDerWaalsContact O-CB 3.26Å; Y299-F384 WeakPolarHBondContact O-CB 3.34Å; Y299-F384 VanDerWaalsContact O-CD1 3.29Å; Y299-F384 WeakPolarHBondContact O-CD1 3.49Å; M300-F384 HydrophobicContact CB-CD1 4.01Å; M300-F384 HydrophobicContact CB-CE1 4.03Å; M300-F384 HydrophobicContact CG-CD1 4.42Å; M300-F384 HydrophobicContact CG-CE1 3.98Å; M300-F384 HydrophobicContact SD-CE1 4.37Å; F308-F384 AromaticContact CE2-CE1 3.93Å; F308-F384 HydrophobicContact CE2-CE1 3.93Å; F308-F384 HydrophobicContact CE2-CZ 4.3Å; F308-F384 HydrophobicContact CZ-CE1 4.04Å; F308-F384 HydrophobicContact CZ-CZ 4.12Å; P311-F384 HydrophobicContact CB-CD1 4.39Å; P311-F384 HydrophobicContact CG-CB 4.44Å; P311-F384 HydrophobicContact CG-CD1 3.28Å; P311-F384 HydrophobicContact CG-CD2 4.32Å; P311-F384 HydrophobicContact CG-CE1 3.42Å; P311-F384 VanDerWaalsContact CG-CE1 3.42Å; P311-F384 HydrophobicContact CG-CE2 4.43Å; P311-F384 HydrophobicContact CG-CG 3.77Å; P311-F384 HydrophobicContact CG-CZ 4.02Å; E381-F384 PolarHBondContact O-N 3.19Å; E382-F384 PolarHBondContact O-N 3.49Å; F384-T568 HydrophobicContact CE2-CG2 3.46Å; F384-T568 VanDerWaalsContact CE2-CG2 3.46Å; F384-T568 HydrophobicContact CZ-CG2 3.44Å; F384-T568 VanDerWaalsContact CZ-CG2 3.44Å
385G97.1Very high97.7Very high0 Ų08.8 Ų8.80%04%0.037CC..EExtended strand (participates in β ladder)trans-116.6130.8-174.500000112.9G380 E381 S383G380-G385 CarbonylContact C-O 3.58Å; G380-G385 WeakPolarHBondContact CA-O 3.32Å; E381-G385 PolarHBondContact N-O 3.15Å; E381-G385 PolarHBondContact O-N 2.87Å; S383-G385 VanDerWaalsContact C-N 3.28Å; S383-G385 PolarHBondContact O-N 2.74Å
386T98.5Very high97.7Very high0 Ų03.9 Ų3.90%02%0.019CC..EExtended strand (participates in β ladder)trans-150.3150.2171.5-54.50000109Y299 V315 I318 L378 C379 D395 W398 S399Y299-T386 WeakPolarHBondContact CE1-OG1 3.25Å; Y299-T386 WeakPolarHBondContact OH-CB 3.41Å; Y299-T386 PolarHBondContact OH-OG1 3.02Å; V315-T386 HydrophobicContact CB-CG2 4.21Å; V315-T386 HydrophobicContact CG2-CG2 4.02Å; I318-T386 HydrophobicContact CD1-CG2 4.21Å; L378-T386 HydrophobicContact CD1-CG2 4.28Å; C379-T386 WeakPolarHBondContact O-CA 3.38Å; C379-T386 WeakPolarHBondContact O-CG2 3.46Å; T386-D395 PolarHBondContact O-N 2.97Å; T386-W398 HydrophobicContact CG2-CZ3 3.92Å; T386-S399 WeakPolarHBondContact CB-OG 3.39Å; T386-S399 PolarHBondContact O-OG 3.39Å
387G98Very high97.8Very high0 Ų03.9 Ų3.90%02%0.019CC..EExtended strand (participates in β ladder)trans-171.8174-178.900000111.7C379C379-G387 PolarHBondContact N-O 3.21Å; C379-G387 PolarHBondContact O-N 2.82Å
388S98.3Very high97.8Very high0 Ų03.8 Ų3.80%02%0.018CC..EExtended strand (participates in β ladder)trans-133.6177.4177.778.70000110.8S377 H390S377-S388 WeakPolarHBondContact O-CA 3.44Å; S377-S388 WeakPolarHBondContact O-CB 3.17Å; S388-H390 PolarHBondContact O-N 3.44Å; S388-H390 PolarHBondContact O-ND1 3.08Å; S388-H390 PolarHBondContact OG-ND1 3.42Å
389D97.6Very high97.8Very high15 Ų153.8 Ų3.88%0.082%0.018CC..THydrogen-bonded Turntrans-683.317960.2-0.4000115.5Y327 M371 S377 I391 R392Y327-D389 VanDerWaalsContact CE1-OD1 3.24Å; Y327-D389 WeakPolarHBondContact CE1-OD1 3.45Å; Y327-D389 VanDerWaalsContact CZ-OD1 3.32Å; Y327-D389 PolarHBondContact OH-OD1 3.05Å; M371-D389 HydrophobicContact CB-CB 4.11Å; M371-D389 HydrophobicContact CG-CB 4.02Å; M371-D389 HydrophobicContact SD-CB 4.24Å; S377-D389 PolarHBondContact O-N 3.45Å; S377-D389 PolarHBondContact OG-OD2 2.88Å; D389-I391 VanDerWaalsContact C-N 3.28Å; D389-I391 PolarHBondContact O-N 3.48Å; D389-R392 PolarHBondContact O-NH1 3.31Å
390H97.9Very high97.9Very high18 Ų183.8 Ų3.88%0.0832%0.018CC..THydrogen-bonded Turntrans-60.2-37.4172.673.2-72.7000112.7I207 S388 D395 W398I207-H390 HydrophobicContact CD1-CB 3.6Å; S388-H390 PolarHBondContact O-N 3.44Å; S388-H390 PolarHBondContact O-ND1 3.08Å; S388-H390 PolarHBondContact OG-ND1 3.42Å; H390-D395 IonicContact NE2-OD2 3.65Å; H390-D395 PolarHBondContact NE2-OD2 3.08Å; H390-W398 AromaticContact CD2-CD1 3.91Å; H390-W398 AromaticContact CE1-CD1 3.4Å; H390-W398 AromaticContact CE1-CD2 3.98Å; H390-W398 AromaticContact CE1-CG 3.6Å; H390-W398 AromaticContact CE1-NE1 3.71Å; H390-W398 AromaticContact ND1-CD1 3.87Å; H390-W398 AromaticContact ND1-NE1 3.78Å; H390-W398 AromaticContact NE2-CD1 3.42Å; H390-W398 AromaticContact NE2-CG 3.76Å
391I98Very high97.9Very high0 Ų03.8 Ų3.80%02%0.018CC..SBendtrans-132.2-166.3171.963.1174.9000109.7P101 C105 M203 D389 E393 D395P101-I391 HydrophobicContact CB-CD1 3.79Å; C105-I391 HydrophobicContact CB-CG2 4.08Å; M203-I391 HydrophobicContact CE-CG2 3.8Å; M203-I391 HydrophobicContact SD-CG2 3.49Å; M203-I391 WeakPolarHBondContact SD-CG2 3.46Å; D389-I391 VanDerWaalsContact C-N 3.28Å; D389-I391 PolarHBondContact O-N 3.48Å; I391-E393 HydrophobicContact CD1-CB 4.16Å; I391-D395 HydrophobicContact CD1-CB 4Å
392R96.7Very high97.9Very high14 Ų143.5 Ų3.55%0.0532%0.017CC..SBendtrans-126.233.6173.2-58.9-72.3176.4-902.8112.5S104 N139 E141 W364 D372 D389S104-R392 PolarHBondContact OG-N 3.11Å; S104-R392 VanDerWaalsContact OG-N 3.09Å; N139-R392 WeakPolarHBondContact O-CG 3.25Å; E141-R392 HydrophobicContact CB-CB 3.58Å; E141-R392 HydrophobicContact CB-CG 4.48Å; E141-R392 WeakPolarHBondContact CB-O 3.26Å; E141-R392 HydrophobicContact CG-CB 4.21Å; E141-R392 WeakPolarHBondContact CG-O 3.47Å; W364-R392 VanDerWaalsContact CD1-O 3.24Å; W364-R392 PolarHBondContact NE1-O 3.34Å; D372-R392 IonicContact OD1-CZ 3.49Å; D372-R392 IonicContact OD1-NE 3.13Å; D372-R392 PolarHBondContact OD1-NE 2.95Å; D372-R392 IonicContact OD1-NH2 3.95Å; D372-R392 PolarHBondContact OD1-NH2 3.45Å; D372-R392 IonicContact OD2-NE 3.97Å; D389-R392 PolarHBondContact O-NH1 3.31Å
393E96.9Very high98Very high10 Ų103.4 Ų3.45%0.0472%0.017CC..SBendtrans-132.8166.9170.5-78.3-70.1179.300108.8T100 N136 W364 I391T100-E393 HydrophobicContact CG2-CB 3.97Å; T100-E393 HydrophobicContact CG2-CG 3.58Å; N136-E393 PolarHBondContact ND2-OE1 2.89Å; W364-E393 WeakPolarHBondContact CZ2-O 3.46Å; W364-E393 VanDerWaalsContact NE1-CA 3.27Å; W364-E393 PolarHBondContact NE1-O 2.85Å; I391-E393 HydrophobicContact CD1-CB 4.16Å
394K97.5Very high98.2Very high5 Ų53.1 Ų3.12%0.0221%0.014CC..  trans-64.2153.9163.7-60.9163.4-57.3-50.20108.1D297 W364D297-K394 HydrophobicContact CB-CB 4.06Å; D297-K394 WeakPolarHBondContact O-CB 3.22Å; D297-K394 WeakPolarHBondContact OD1-CE 3.49Å; D297-K394 WeakPolarHBondContact OD2-CE 3.28Å; D297-K394 IonicContact OD2-NZ 3.82Å; D297-K394 PolarHBondContact OD2-NZ 3.43Å; W364-K394 HydrophobicContact CD2-CB 4.46Å; W364-K394 HydrophobicContact CD2-CD 4.36Å; W364-K394 HydrophobicContact CD2-CG 3.45Å; W364-K394 VanDerWaalsContact CD2-CG 3.45Å; W364-K394 HydrophobicContact CE3-CB 4.35Å; W364-K394 HydrophobicContact CE3-CD 3.78Å; W364-K394 HydrophobicContact CE3-CG 3.08Å; W364-K394 HydrophobicContact CG-CG 4.18Å; W364-K394 HydrophobicContact CH2-CB 4.45Å; W364-K394 HydrophobicContact CH2-CG 3.81Å; W364-K394 HydrophobicContact CZ2-CG 4.12Å; W364-K394 HydrophobicContact CZ3-CB 4.38Å; W364-K394 HydrophobicContact CZ3-CD 4.2Å; W364-K394 HydrophobicContact CZ3-CG 3.32Å
395D98.7Very high98.3Very high0 Ų03.3 Ų3.30%02%0.016CC..  trans-141.7109.5177.9-172-25.4000111.1P101 Y200 T386 H390 I391 L397 W398 S399P101-D395 HydrophobicContact CB-CB 4.15Å; P101-D395 WeakPolarHBondContact CB-OD2 3.07Å; P101-D395 HydrophobicContact CG-CB 4.07Å; Y200-D395 WeakPolarHBondContact CE2-OD2 3.34Å; Y200-D395 VanDerWaalsContact CZ-OD2 3.31Å; Y200-D395 PolarHBondContact OH-OD1 3.13Å; Y200-D395 PolarHBondContact OH-OD2 3.42Å; T386-D395 PolarHBondContact O-N 2.97Å; H390-D395 IonicContact NE2-OD2 3.65Å; H390-D395 PolarHBondContact NE2-OD2 3.08Å; I391-D395 HydrophobicContact CD1-CB 4Å; D395-L397 PolarHBondContact OD1-N 3Å; D395-W398 HydrophobicContact CB-CB 3.57Å; D395-W398 HydrophobicContact CB-CG 4.41Å; D395-W398 WeakPolarHBondContact OD1-CB 3.39Å; D395-W398 PolarHBondContact OD1-N 3.45Å; D395-W398 WeakPolarHBondContact OD2-CB 3.46Å; D395-S399 WeakPolarHBondContact O-CB 3.22Å; D395-S399 PolarHBondContact O-N 2.71Å; D395-S399 VanDerWaalsContact O-N 3.13Å; D395-S399 PolarHBondContact O-OG 2.84Å
396G98.6Very high98.4Very high0 Ų03.4 Ų3.40%02%0.017CC..Hα-helixtrans-67.4-46.5-179.400000112.7F292 G296 S399 V400F292-G396 WeakPolarHBondContact CE1-O 3.32Å; G296-G396 PolarHBondContact O-N 2.91Å; G296-G396 VanDerWaalsContact O-N 3.08Å; G396-S399 WeakPolarHBondContact O-CB 3.46Å; G396-S399 PolarHBondContact O-N 3.36Å; G396-S399 VanDerWaalsContact O-N 3.11Å; G396-V400 PolarHBondContact O-N 3.31Å
397L98.9Very high98.4Very high0 Ų03.8 Ų3.80%02%0.019CC..Hα-helixtrans-73.1-34.4-177.2-17958.6000111.8Y200 M234 I241 L242 F292 D395 S399 V400 L401Y200-L397 HydrophobicContact CE1-CD2 4.2Å; M234-L397 HydrophobicContact CE-CB 3.46Å; M234-L397 VanDerWaalsContact CE-CB 3.46Å; M234-L397 HydrophobicContact CE-CD2 3.8Å; M234-L397 HydrophobicContact CE-CG 4.21Å; I241-L397 HydrophobicContact CB-CD2 4.37Å; I241-L397 HydrophobicContact CD1-CD2 3.85Å; L242-L397 HydrophobicContact CD1-CD1 4.03Å; L242-L397 HydrophobicContact CD2-CD1 4.33Å; L242-L397 HydrophobicContact CG-CD1 4.18Å; F292-L397 HydrophobicContact CE1-CB 4.38Å; F292-L397 HydrophobicContact CZ-CB 4.3Å; F292-L397 HydrophobicContact CZ-CD1 4.07Å; D395-L397 PolarHBondContact OD1-N 3Å; L397-S399 PolarHBondContact O-N 3.48Å; L397-V400 HydrophobicContact CD1-CB 4.35Å; L397-V400 HydrophobicContact CD1-CG1 4.43Å; L397-V400 PolarHBondContact O-N 3.14Å; L397-L401 HydrophobicContact CD1-CG 4.48Å; L397-L401 HydrophobicContact CG-CD1 4.46Å; L397-L401 WeakPolarHBondContact O-CG 3.15Å; L397-L401 PolarHBondContact O-N 3.43Å
398W98.9Very high98.4Very high0 Ų04.9 Ų4.90%03%0.027CC..Hα-helixtrans-55.8-41.916717897.5000111.3L204 F208 I318 F328 L378 T386 H390 D395 L401 A402L204-W398 HydrophobicContact CD2-CB 4.43Å; F208-W398 AromaticContact CE2-CD1 3.5Å; F208-W398 VanDerWaalsContact CE2-CD1 3.5Å; F208-W398 HydrophobicContact CE2-CG 4.09Å; F208-W398 AromaticContact CE2-NE1 3.86Å; F208-W398 AromaticContact CZ-CD1 3.51Å; F208-W398 HydrophobicContact CZ-CD2 4.17Å; F208-W398 AromaticContact CZ-CE2 3.91Å; F208-W398 AromaticContact CZ-CG 3.89Å; F208-W398 HydrophobicContact CZ-CG 3.89Å; F208-W398 AromaticContact CZ-NE1 3.51Å; F208-W398 WeakPolarHBondContact CZ-O 3.34Å; I318-W398 HydrophobicContact CG2-CH2 4.23Å; F328-W398 AromaticContact CE2-CZ2 3.89Å; F328-W398 HydrophobicContact CE2-CZ2 3.89Å; F328-W398 HydrophobicContact CZ-CZ2 4.06Å; L378-W398 HydrophobicContact CD1-CH2 3.47Å; L378-W398 VanDerWaalsContact CD1-CH2 3.47Å; L378-W398 HydrophobicContact CD1-CZ2 4.41Å; L378-W398 HydrophobicContact CD1-CZ3 4.11Å; T386-W398 HydrophobicContact CG2-CZ3 3.92Å; H390-W398 AromaticContact CD2-CD1 3.91Å; H390-W398 AromaticContact CE1-CD1 3.4Å; H390-W398 AromaticContact CE1-CD2 3.98Å; H390-W398 AromaticContact CE1-CG 3.6Å; H390-W398 AromaticContact CE1-NE1 3.71Å; H390-W398 AromaticContact ND1-CD1 3.87Å; H390-W398 AromaticContact ND1-NE1 3.78Å; H390-W398 AromaticContact NE2-CD1 3.42Å; H390-W398 AromaticContact NE2-CG 3.76Å; D395-W398 HydrophobicContact CB-CB 3.57Å; D395-W398 HydrophobicContact CB-CG 4.41Å; D395-W398 WeakPolarHBondContact OD1-CB 3.39Å; D395-W398 PolarHBondContact OD1-N 3.45Å; D395-W398 WeakPolarHBondContact OD2-CB 3.46Å; W398-L401 PolarHBondContact O-N 2.89Å; W398-A402 HydrophobicContact CE3-CB 4.5Å; W398-A402 HydrophobicContact CH2-CB 4.32Å; W398-A402 HydrophobicContact CZ3-CB 4.23Å; W398-A402 WeakPolarHBondContact O-CB 2.81Å; W398-A402 PolarHBondContact O-N 3.39Å
399S98.8Very high98.4Very high0 Ų07.8 Ų7.80%05%0.051CC..Hα-helixtrans-67.2-38.6179.2-57.70000112Y299 T386 D395 G396 L397 A402 W403Y299-S399 WeakPolarHBondContact CE1-OG 3.48Å; Y299-S399 VanDerWaalsContact CZ-CB 3.42Å; T386-S399 WeakPolarHBondContact CB-OG 3.39Å; T386-S399 PolarHBondContact O-OG 3.39Å; D395-S399 WeakPolarHBondContact O-CB 3.22Å; D395-S399 PolarHBondContact O-N 2.71Å; D395-S399 VanDerWaalsContact O-N 3.13Å; D395-S399 PolarHBondContact O-OG 2.84Å; G396-S399 WeakPolarHBondContact O-CB 3.46Å; G396-S399 PolarHBondContact O-N 3.36Å; G396-S399 VanDerWaalsContact O-N 3.11Å; L397-S399 PolarHBondContact O-N 3.48Å; S399-A402 PolarHBondContact O-N 3.26Å; S399-W403 PolarHBondContact O-N 2.91Å
400V98.9Very high98.5Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-62.3-46.2171.6167.20000111.3L242 F288 A290 F292 I301 G396 L397 A402 W403 L404L242-V400 HydrophobicContact CD1-CG1 4.49Å; F288-V400 HydrophobicContact CE1-CG1 3.91Å; F288-V400 HydrophobicContact CZ-CG1 4.04Å; F288-V400 HydrophobicContact CZ-CG2 4.44Å; A290-V400 HydrophobicContact CB-CG2 3.6Å; F292-V400 HydrophobicContact CE1-CG2 3.72Å; F292-V400 HydrophobicContact CZ-CB 4.37Å; F292-V400 HydrophobicContact CZ-CG2 3.69Å; I301-V400 HydrophobicContact CD1-CG2 3.92Å; G396-V400 PolarHBondContact O-N 3.31Å; L397-V400 HydrophobicContact CD1-CB 4.35Å; L397-V400 HydrophobicContact CD1-CG1 4.43Å; L397-V400 PolarHBondContact O-N 3.14Å; V400-A402 VanDerWaalsContact C-N 3.32Å; V400-A402 PolarHBondContact O-N 2.96Å; V400-W403 PolarHBondContact O-N 3.15Å; V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 HydrophobicContact CG1-CG 4.4Å; V400-L404 WeakPolarHBondContact O-CG 3.27Å; V400-L404 PolarHBondContact O-N 3.47Å
401L98.9Very high98.5Very high0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-66.4-33.4177.9-67.7174.5000112.6L204 F208 I213 L242 L246 L397 W398 L404 S405L204-L401 HydrophobicContact CB-CD1 4.37Å; L204-L401 HydrophobicContact CD1-CD1 3.71Å; L204-L401 HydrophobicContact CD2-CD1 4.2Å; L204-L401 HydrophobicContact CG-CD1 4.33Å; F208-L401 HydrophobicContact CD1-CB 4.23Å; F208-L401 HydrophobicContact CD2-CB 3.86Å; F208-L401 HydrophobicContact CD2-CD1 3.91Å; F208-L401 HydrophobicContact CE1-CB 4.09Å; F208-L401 HydrophobicContact CE2-CB 3.69Å; F208-L401 HydrophobicContact CE2-CD1 4.05Å; F208-L401 HydrophobicContact CG-CB 4.12Å; F208-L401 HydrophobicContact CZ-CB 3.8Å; I213-L401 HydrophobicContact CD1-CB 4.42Å; I213-L401 HydrophobicContact CD1-CD2 4.01Å; L242-L401 HydrophobicContact CD2-CD2 3.86Å; L246-L401 HydrophobicContact CD1-CD2 3.69Å; L397-L401 HydrophobicContact CD1-CG 4.48Å; L397-L401 HydrophobicContact CG-CD1 4.46Å; L397-L401 WeakPolarHBondContact O-CG 3.15Å; L397-L401 PolarHBondContact O-N 3.43Å; W398-L401 PolarHBondContact O-N 2.89Å; L401-L404 HydrophobicContact CD2-CD1 4.46Å; L401-L404 PolarHBondContact O-N 3.37Å; L401-S405 WeakPolarHBondContact O-CB 3.4Å; L401-S405 PolarHBondContact O-N 3.3Å; L401-S405 PolarHBondContact O-OG 3.23Å
402A98.9Very high98.5Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-62.3-47.7171.900000110.8F208 I318 I325 W398 S399 V400 S405 V406F208-A402 HydrophobicContact CE1-CB 4.06Å; F208-A402 HydrophobicContact CZ-CB 4.3Å; I318-A402 HydrophobicContact CD1-CB 4.3Å; I318-A402 HydrophobicContact CG1-CB 4.44Å; I318-A402 HydrophobicContact CG2-CB 4.36Å; I325-A402 HydrophobicContact CD1-CB 3.85Å; W398-A402 HydrophobicContact CE3-CB 4.5Å; W398-A402 HydrophobicContact CH2-CB 4.32Å; W398-A402 HydrophobicContact CZ3-CB 4.23Å; W398-A402 WeakPolarHBondContact O-CB 2.81Å; W398-A402 PolarHBondContact O-N 3.39Å; S399-A402 PolarHBondContact O-N 3.26Å; V400-A402 VanDerWaalsContact C-N 3.32Å; V400-A402 PolarHBondContact O-N 2.96Å; A402-S405 WeakPolarHBondContact O-CB 3.22Å; A402-S405 PolarHBondContact O-N 2.81Å; A402-V406 WeakPolarHBondContact O-CG2 3.29Å; A402-V406 PolarHBondContact O-N 2.97Å
403W98.9Very high98.5Very high0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-60.6-46.6174.6-91.799.8000113F288 I301 V309 S314 V317 S399 V400 S405 V406 I407 V414 I417 V418F288-W403 HydrophobicContact CE2-CB 3.85Å; F288-W403 HydrophobicContact CE2-CG 4.4Å; F288-W403 HydrophobicContact CZ-CB 4.2Å; I301-W403 HydrophobicContact CG1-CG 4.36Å; I301-W403 HydrophobicContact CG2-CD2 4.45Å; V309-W403 HydrophobicContact CG1-CH2 4.17Å; V309-W403 HydrophobicContact CG1-CZ2 3.67Å; V309-W403 HydrophobicContact CG2-CH2 4.48Å; S314-W403 PolarHBondContact OG-NE1 2.65Å; V317-W403 HydrophobicContact CB-CH2 4.05Å; V317-W403 HydrophobicContact CB-CZ2 4.05Å; V317-W403 HydrophobicContact CG1-CH2 3.53Å; V317-W403 HydrophobicContact CG1-CZ2 3.92Å; V317-W403 HydrophobicContact CG1-CZ3 4.08Å; V317-W403 HydrophobicContact CG2-CH2 4.4Å; S399-W403 PolarHBondContact O-N 2.91Å; V400-W403 PolarHBondContact O-N 3.15Å; W403-S405 VanDerWaalsContact C-N 3.27Å; W403-S405 PolarHBondContact O-N 3.2Å; W403-V406 PolarHBondContact O-N 2.66Å; W403-V406 VanDerWaalsContact O-N 3.14Å; W403-I407 VanDerWaalsContact O-CG1 3.31Å; W403-I407 WeakPolarHBondContact O-CG1 3.11Å; W403-I407 PolarHBondContact O-N 2.85Å; W403-V414 HydrophobicContact CH2-CG1 4.42Å; W403-V414 HydrophobicContact CZ3-CG1 4.09Å; W403-I417 HydrophobicContact CZ3-CG2 4.28Å; W403-V418 HydrophobicContact CH2-CG2 3.73Å; W403-V418 HydrophobicContact CZ3-CG2 4.49Å
404L98.9Very high98.6Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-62-35.8177-67.4174.9000111.9I213 L216 L217 L223 L242 F288 V400 L401 I407 A408I213-L404 HydrophobicContact CG1-CB 4.49Å; I213-L404 HydrophobicContact CG2-CB 4.14Å; I213-L404 HydrophobicContact CG2-CD1 4.11Å; L216-L404 HydrophobicContact CD2-CB 4.3Å; L216-L404 HydrophobicContact CD2-CD2 4.06Å; L216-L404 WeakPolarHBondContact CD2-O 3.3Å; L217-L404 HydrophobicContact CD1-CD1 4.27Å; L217-L404 HydrophobicContact CD2-CD2 4.27Å; L223-L404 HydrophobicContact CD2-CD2 3.77Å; L242-L404 HydrophobicContact CD2-CD1 4.19Å; F288-L404 HydrophobicContact CD1-CD2 4.21Å; F288-L404 HydrophobicContact CE1-CD2 4.25Å; F288-L404 HydrophobicContact CG-CD2 4.39Å; F288-L404 HydrophobicContact CZ-CD2 4.47Å; V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 HydrophobicContact CG1-CG 4.4Å; V400-L404 WeakPolarHBondContact O-CG 3.27Å; V400-L404 PolarHBondContact O-N 3.47Å; L401-L404 HydrophobicContact CD2-CD1 4.46Å; L401-L404 PolarHBondContact O-N 3.37Å; L404-I407 PolarHBondContact O-N 3.29Å; L404-A408 VanDerWaalsContact O-CB 3.29Å; L404-A408 WeakPolarHBondContact O-CB 3.31Å; L404-A408 PolarHBondContact O-N 3.39Å
405S98.9Very high98.7Very high8 Ų824.7 Ų24.76%0.05614%0.135CC..Hα-helixtrans-64.6-42.4173.9-59.60000111.9F208 L401 A402 W403 A408 A409F208-S405 WeakPolarHBondContact CD1-OG 3.26Å; L401-S405 WeakPolarHBondContact O-CB 3.4Å; L401-S405 PolarHBondContact O-N 3.3Å; L401-S405 PolarHBondContact O-OG 3.23Å; A402-S405 WeakPolarHBondContact O-CB 3.22Å; A402-S405 PolarHBondContact O-N 2.81Å; W403-S405 VanDerWaalsContact C-N 3.27Å; W403-S405 PolarHBondContact O-N 3.2Å; S405-A408 PolarHBondContact O-N 2.72Å; S405-A409 WeakPolarHBondContact O-CB 3.31Å; S405-A409 PolarHBondContact O-N 2.72Å
406V98.9Very high98.7Very high1 Ų129.2 Ų29.21%0.00616%0.156CC..Hα-helixtrans-63.5-46175.3176.80000110.3N321 A402 W403 A409 R410 I417N321-V406 HydrophobicContact CB-CB 4.47Å; N321-V406 HydrophobicContact CB-CG1 3.95Å; N321-V406 HydrophobicContact CB-CG2 3.64Å; A402-V406 WeakPolarHBondContact O-CG2 3.29Å; A402-V406 PolarHBondContact O-N 2.97Å; W403-V406 PolarHBondContact O-N 2.66Å; W403-V406 VanDerWaalsContact O-N 3.14Å; V406-A409 PolarHBondContact O-N 2.91Å; V406-R410 HydrophobicContact CG1-CG 4.09Å; V406-R410 VanDerWaalsContact O-CB 3.3Å; V406-R410 WeakPolarHBondContact O-CB 3.38Å; V406-R410 VanDerWaalsContact O-CG 3.3Å; V406-R410 WeakPolarHBondContact O-CG 3.36Å; V406-R410 PolarHBondContact O-N 2.92Å; V406-I417 HydrophobicContact CG1-CD1 4.18Å; V406-I417 HydrophobicContact CG1-CG2 4.25Å
407I98.9Very high98.7Very high9 Ų929.2 Ų29.25%0.04616%0.157CC..Hα-helixtrans-60.9-47.1178.1-67.5164.7000110.6L216 L223 F288 W403 L404 A409 R410 K411 V414 I417L216-I407 HydrophobicContact CD1-CG2 3.93Å; L216-I407 HydrophobicContact CD2-CB 4.08Å; L216-I407 HydrophobicContact CD2-CG2 3.8Å; L223-I407 HydrophobicContact CD2-CD1 4.39Å; L223-I407 HydrophobicContact CD2-CG2 4.29Å; F288-I407 HydrophobicContact CD2-CD1 3.76Å; F288-I407 HydrophobicContact CE2-CD1 4.22Å; W403-I407 VanDerWaalsContact O-CG1 3.31Å; W403-I407 WeakPolarHBondContact O-CG1 3.11Å; W403-I407 PolarHBondContact O-N 2.85Å; L404-I407 PolarHBondContact O-N 3.29Å; I407-A409 VanDerWaalsContact C-N 3.33Å; I407-A409 PolarHBondContact O-N 2.97Å; I407-R410 PolarHBondContact O-N 3.41Å; I407-K411 WeakPolarHBondContact O-CA 3.47Å; I407-K411 PolarHBondContact O-N 3.36Å; I407-V414 HydrophobicContact CD1-CG2 3.92Å; I407-I417 HydrophobicContact CG1-CD1 3.92Å
408A98.6Very high98.7Very high22 Ų2229.3 Ų29.318%0.18216%0.157CC..Hα-helixtrans-59.9-42.9178.600000112L216 L404 S405L216-A408 HydrophobicContact CB-CB 4.19Å; L216-A408 HydrophobicContact CD2-CB 4.06Å; L404-A408 VanDerWaalsContact O-CB 3.29Å; L404-A408 WeakPolarHBondContact O-CB 3.31Å; L404-A408 PolarHBondContact O-N 3.39Å; S405-A408 PolarHBondContact O-N 2.72Å
409A98.6Very high98.7Very high61 Ų6133.5 Ų33.550%0.50417%0.173SC..Hα-helixtrans-74.2-39.6-17900000112.9T324 S405 V406 I407T324-A409 HydrophobicContact CG2-CB 3.49Å; T324-A409 VanDerWaalsContact CG2-CB 3.49Å; S405-A409 WeakPolarHBondContact O-CB 3.31Å; S405-A409 PolarHBondContact O-N 2.72Å; V406-A409 PolarHBondContact O-N 2.91Å; I407-A409 VanDerWaalsContact C-N 3.33Å; I407-A409 PolarHBondContact O-N 2.97Å
410R98.2Very high98.7Very high89 Ų8936.6 Ų36.634%0.33619%0.187SC..Hα-helixtrans-84.2-23.1-177.4-63.6-147.871.2-162.6-8.3113.4V406 I407 Q412 I417 E420V406-R410 HydrophobicContact CG1-CG 4.09Å; V406-R410 VanDerWaalsContact O-CB 3.3Å; V406-R410 WeakPolarHBondContact O-CB 3.38Å; V406-R410 VanDerWaalsContact O-CG 3.3Å; V406-R410 WeakPolarHBondContact O-CG 3.36Å; V406-R410 PolarHBondContact O-N 2.92Å; I407-R410 PolarHBondContact O-N 3.41Å; R410-Q412 VanDerWaalsContact C-N 3.26Å; R410-Q412 HydrophobicContact CB-CB 4.31Å; R410-Q412 HydrophobicContact CB-CG 4.41Å; R410-Q412 VanDerWaalsContact NH2-OE1 3.15Å; R410-Q412 WeakPolarHBondContact O-CG 3.25Å; R410-Q412 PolarHBondContact O-N 2.89Å; R410-I417 HydrophobicContact CB-CD1 4.49Å; R410-E420 IonicContact CZ-OE2 3.3Å; R410-E420 IonicContact NH1-OE2 2.74Å; R410-E420 PolarHBondContact NH1-OE2 3.22Å; R410-E420 IonicContact NH2-OE2 2.67Å; R410-E420 PolarHBondContact NH2-OE2 3.18Å
411K98Very high98.7Very high189 Ų18937 Ų3782%0.82219%0.189SC*.THydrogen-bonded Turntrans5542.7-174.6-54.4-177.1179.2-174.40112.1I407I407-K411 WeakPolarHBondContact O-CA 3.47Å; I407-K411 PolarHBondContact O-N 3.36Å
412Q98.3Very high98.7Very high30 Ų3037.4 Ų37.414%0.1419%0.191CC..  trans-133.8149.7-176.1-71.4175.8-36.200109.7R410 Q416 I417 E420R410-Q412 VanDerWaalsContact C-N 3.26Å; R410-Q412 HydrophobicContact CB-CB 4.31Å; R410-Q412 HydrophobicContact CB-CG 4.41Å; R410-Q412 VanDerWaalsContact NH2-OE1 3.15Å; R410-Q412 WeakPolarHBondContact O-CG 3.25Å; R410-Q412 PolarHBondContact O-N 2.89Å; Q412-Q416 HydrophobicContact CB-CB 4.41Å; Q412-Q416 HydrophobicContact CB-CG 4.33Å; Q412-Q416 HydrophobicContact CG-CG 4.31Å; Q412-I417 HydrophobicContact CB-CD1 4.14Å; Q412-I417 HydrophobicContact CB-CG1 3.71Å; Q412-I417 WeakPolarHBondContact O-CD1 3.41Å; Q412-E420 PolarHBondContact NE2-OE1 3.48Å; Q412-E420 PolarHBondContact NE2-OE2 3.28Å; Q412-E420 PolarHBondContact OE1-OE2 3.46Å
413G98.2Very high98.7Very high42 Ų4240.2 Ų40.243%0.43321%0.214SC..  trans-69.1162.7172.400000112.6E415 Q416 I417G413-E415 PolarHBondContact O-N 3.34Å; G413-Q416 PolarHBondContact O-N 2.92Å; G413-I417 WeakPolarHBondContact O-CG1 3.17Å; G413-I417 PolarHBondContact O-N 3.28Å; G413-I417 VanDerWaalsContact O-N 3.11Å
414V98.8Very high98.6Very high3 Ų348.8 Ų48.82%0.01825%0.246CC..Hα-helixtrans-55.1-51.2-1781770000111.9F288 I301 F307 V309 W403 I407 Q416 I417 V418F288-V414 HydrophobicContact CD2-CG2 3.75Å; I301-V414 HydrophobicContact CG2-CG1 4.4Å; F307-V414 HydrophobicContact CD1-CG1 4.22Å; V309-V414 HydrophobicContact CG2-CG1 3.41Å; V309-V414 VanDerWaalsContact CG2-CG1 3.41Å; W403-V414 HydrophobicContact CH2-CG1 4.42Å; W403-V414 HydrophobicContact CZ3-CG1 4.09Å; I407-V414 HydrophobicContact CD1-CG2 3.92Å; V414-Q416 VanDerWaalsContact C-N 3.33Å; V414-Q416 PolarHBondContact O-N 3.41Å; V414-I417 PolarHBondContact O-N 2.92Å; V414-V418 WeakPolarHBondContact O-CG2 3.47Å; V414-V418 PolarHBondContact O-N 2.74Å
415E98.8Very high98.6Very high64 Ų6450.1 Ų50.130%0.29925%0.252SS..Hα-helixtrans-61.3-41.4-178.1177.1168.2-167.200112F307 G413 I417 V418 R419F307-E415 HydrophobicContact CB-CB 4.35Å; F307-E415 HydrophobicContact CD1-CB 3.91Å; F307-E415 HydrophobicContact CD1-CG 4.42Å; F307-E415 HydrophobicContact CD2-CB 3.94Å; F307-E415 HydrophobicContact CD2-CG 3.64Å; F307-E415 HydrophobicContact CE1-CB 4.18Å; F307-E415 HydrophobicContact CE1-CG 4.44Å; F307-E415 HydrophobicContact CE2-CB 4.21Å; F307-E415 HydrophobicContact CE2-CG 3.66Å; F307-E415 HydrophobicContact CG-CB 3.79Å; F307-E415 HydrophobicContact CG-CG 4.04Å; F307-E415 HydrophobicContact CZ-CB 4.32Å; F307-E415 HydrophobicContact CZ-CG 4.07Å; G413-E415 PolarHBondContact O-N 3.34Å; E415-I417 PolarHBondContact O-N 3.26Å; E415-V418 PolarHBondContact O-N 2.73Å; E415-R419 HydrophobicContact CG-CG 4.21Å; E415-R419 WeakPolarHBondContact O-CB 3.44Å; E415-R419 VanDerWaalsContact O-CG 3.32Å; E415-R419 WeakPolarHBondContact O-CG 3.31Å; E415-R419 PolarHBondContact O-N 3.37Å; E415-R419 IonicContact OE1-CZ 3.5Å; E415-R419 IonicContact OE1-NE 3.05Å; E415-R419 PolarHBondContact OE1-NE 3.11Å; E415-R419 IonicContact OE1-NH2 3.86Å; E415-R419 PolarHBondContact OE1-NH2 2.75Å
416Q98.8Very high98.6Very high95 Ų9550 Ų5044%0.44425%0.253SS..Hα-helixtrans-61.7-46.2177.8-177.91767.100111.3Q412 G413 V414 V418 R419 E420Q412-Q416 HydrophobicContact CB-CB 4.41Å; Q412-Q416 HydrophobicContact CB-CG 4.33Å; Q412-Q416 HydrophobicContact CG-CG 4.31Å; G413-Q416 PolarHBondContact O-N 2.92Å; V414-Q416 VanDerWaalsContact C-N 3.33Å; V414-Q416 PolarHBondContact O-N 3.41Å; Q416-V418 VanDerWaalsContact C-N 3.32Å; Q416-V418 PolarHBondContact O-N 2.91Å; Q416-R419 PolarHBondContact O-N 3.29Å; Q416-E420 PolarHBondContact NE2-OE1 3.22Å; Q416-E420 WeakPolarHBondContact O-CB 3.39Å; Q416-E420 WeakPolarHBondContact O-CG 3.06Å; Q416-E420 PolarHBondContact O-N 3.26Å
417I98.9Very high98.6Very high1 Ų151.5 Ų51.51%0.00526%0.258CS..Hα-helixtrans-59.6-44.8178.5-66.9163.4000110.6V317 W403 V406 I407 R410 Q412 G413 V414 E415 H421V317-I417 HydrophobicContact CG1-CG2 3.7Å; W403-I417 HydrophobicContact CZ3-CG2 4.28Å; V406-I417 HydrophobicContact CG1-CD1 4.18Å; V406-I417 HydrophobicContact CG1-CG2 4.25Å; I407-I417 HydrophobicContact CG1-CD1 3.92Å; R410-I417 HydrophobicContact CB-CD1 4.49Å; Q412-I417 HydrophobicContact CB-CD1 4.14Å; Q412-I417 HydrophobicContact CB-CG1 3.71Å; Q412-I417 WeakPolarHBondContact O-CD1 3.41Å; G413-I417 WeakPolarHBondContact O-CG1 3.17Å; G413-I417 PolarHBondContact O-N 3.28Å; G413-I417 VanDerWaalsContact O-N 3.11Å; V414-I417 PolarHBondContact O-N 2.92Å; E415-I417 PolarHBondContact O-N 3.26Å; I417-H421 WeakPolarHBondContact O-CB 3.1Å; I417-H421 PolarHBondContact O-N 3.17Å
418V98.9Very high98.6Very high1 Ų151.3 Ų51.31%0.00626%0.257CS..Hα-helixtrans-68.2-43.2-179.6173.80000111.6F307 V309 V317 W403 V414 E415 Q416 E420 H421 W422F307-V418 HydrophobicContact CE1-CB 3.87Å; F307-V418 HydrophobicContact CE1-CG1 4.01Å; F307-V418 HydrophobicContact CE1-CG2 3.98Å; F307-V418 HydrophobicContact CZ-CB 3.96Å; F307-V418 HydrophobicContact CZ-CG1 3.79Å; V309-V418 HydrophobicContact CG1-CG2 4.38Å; V309-V418 HydrophobicContact CG2-CG2 4.28Å; V317-V418 HydrophobicContact CG2-CG2 4.35Å; W403-V418 HydrophobicContact CH2-CG2 3.73Å; W403-V418 HydrophobicContact CZ3-CG2 4.49Å; V414-V418 WeakPolarHBondContact O-CG2 3.47Å; V414-V418 PolarHBondContact O-N 2.74Å; E415-V418 PolarHBondContact O-N 2.73Å; Q416-V418 VanDerWaalsContact C-N 3.32Å; Q416-V418 PolarHBondContact O-N 2.91Å; V418-E420 PolarHBondContact O-N 2.66Å; V418-H421 VanDerWaalsContact O-CB 3.29Å; V418-H421 WeakPolarHBondContact O-CB 3.38Å; V418-H421 PolarHBondContact O-N 3.48Å; V418-H421 VanDerWaalsContact O-N 3.16Å; V418-W422 HydrophobicContact CG1-CD2 3.92Å; V418-W422 HydrophobicContact CG1-CE3 4.36Å; V418-W422 HydrophobicContact CG1-CH2 3.8Å; V418-W422 HydrophobicContact CG1-CZ2 3.3Å; V418-W422 HydrophobicContact CG1-CZ3 4.31Å; V418-W422 PolarHBondContact O-N 3.14Å
419R98.7Very high98.6Very high89 Ų8950.3 Ų50.334%0.33625%0.249SC..Hα-helixtrans-65.8-38.6177.9-72.7-178179.9-78.41.6112.5E415 Q416 H421 W422 A423 S535E415-R419 HydrophobicContact CG-CG 4.21Å; E415-R419 WeakPolarHBondContact O-CB 3.44Å; E415-R419 VanDerWaalsContact O-CG 3.32Å; E415-R419 WeakPolarHBondContact O-CG 3.31Å; E415-R419 PolarHBondContact O-N 3.37Å; E415-R419 IonicContact OE1-CZ 3.5Å; E415-R419 IonicContact OE1-NE 3.05Å; E415-R419 PolarHBondContact OE1-NE 3.11Å; E415-R419 IonicContact OE1-NH2 3.86Å; E415-R419 PolarHBondContact OE1-NH2 2.75Å; Q416-R419 PolarHBondContact O-N 3.29Å; R419-H421 VanDerWaalsContact C-N 3.31Å; R419-W422 HydrophobicContact CG-CE3 3.99Å; R419-W422 HydrophobicContact CG-CZ3 3.98Å; R419-W422 PolarHBondContact O-N 3.25Å; R419-A423 WeakPolarHBondContact O-CB 3.29Å; R419-A423 PolarHBondContact O-N 2.93Å; R419-S535 PolarHBondContact NH1-OG 2.87Å
420E98.6Very high98.6Very high64 Ų6447.9 Ų47.930%0.29923%0.227SC..Hα-helixtrans-64.8-36.8172.1-75.2-179.6-170.900112.1R410 Q412 Q416 V418 A423 R424R410-E420 IonicContact CZ-OE2 3.3Å; R410-E420 IonicContact NH1-OE2 2.74Å; R410-E420 PolarHBondContact NH1-OE2 3.22Å; R410-E420 IonicContact NH2-OE2 2.67Å; R410-E420 PolarHBondContact NH2-OE2 3.18Å; Q412-E420 PolarHBondContact NE2-OE1 3.48Å; Q412-E420 PolarHBondContact NE2-OE2 3.28Å; Q412-E420 PolarHBondContact OE1-OE2 3.46Å; Q416-E420 PolarHBondContact NE2-OE1 3.22Å; Q416-E420 WeakPolarHBondContact O-CB 3.39Å; Q416-E420 WeakPolarHBondContact O-CG 3.06Å; Q416-E420 PolarHBondContact O-N 3.26Å; V418-E420 PolarHBondContact O-N 2.66Å; E420-A423 PolarHBondContact O-N 3.29Å; E420-R424 WeakPolarHBondContact O-CB 3.11Å; E420-R424 PolarHBondContact O-N 3.48Å
421H98.8Very high98.6Very high10 Ų1043.7 Ų43.75%0.04621%0.211CC..Hα-helixtrans-60.9-48.9173.1-175.597.5000111A316 V317 V349 I417 V418 R419 A423 R424 F425A316-H421 PolarHBondContact O-CE1 3.15Å; V317-H421 HydrophobicContact CG2-CB 3.91Å; V349-H421 VanDerWaalsContact CG2-CE1 3.49Å; V349-H421 WeakPolarHBondContact CG2-CE1 3.5Å; I417-H421 WeakPolarHBondContact O-CB 3.1Å; I417-H421 PolarHBondContact O-N 3.17Å; V418-H421 VanDerWaalsContact O-CB 3.29Å; V418-H421 WeakPolarHBondContact O-CB 3.38Å; V418-H421 PolarHBondContact O-N 3.48Å; V418-H421 VanDerWaalsContact O-N 3.16Å; R419-H421 VanDerWaalsContact C-N 3.31Å; H421-A423 PolarHBondContact O-N 3.32Å; H421-R424 PolarHBondContact O-N 2.82Å; H421-R424 VanDerWaalsContact O-N 3.17Å; H421-F425 AromaticContact CD2-CD2 3.93Å; H421-F425 AromaticContact CE1-CD2 3.45Å; H421-F425 VanDerWaalsContact CE1-CD2 3.45Å; H421-F425 WeakPolarHBondContact CE1-CD2 3.36Å; H421-F425 AromaticContact CE1-CE2 3.76Å; H421-F425 AromaticContact CG-CD2 3.87Å; H421-F425 AromaticContact ND1-CD2 3.57Å; H421-F425 AromaticContact ND1-CE2 3.72Å; H421-F425 AromaticContact NE2-CD2 3.66Å; H421-F425 WeakPolarHBondContact O-CD2 3.29Å; H421-F425 PolarHBondContact O-N 2.93Å
422W98.8Very high98.6Very high7 Ų734.8 Ų34.83%0.02717%0.172CC..Hα-helixtrans-60.5-44.7176.4-63.4-26.8000112F307 D313 V418 R419 R424 F425 G426 R427 H534F307-W422 HydrophobicContact CE2-CH2 4.12Å; F307-W422 AromaticContact CZ-CH2 3.77Å; F307-W422 HydrophobicContact CZ-CH2 3.77Å; F307-W422 HydrophobicContact CZ-CZ2 4.42Å; F307-W422 HydrophobicContact CZ-CZ3 4.34Å; D313-W422 PolarHBondContact OD2-NE1 3.48Å; V418-W422 HydrophobicContact CG1-CD2 3.92Å; V418-W422 HydrophobicContact CG1-CE3 4.36Å; V418-W422 HydrophobicContact CG1-CH2 3.8Å; V418-W422 HydrophobicContact CG1-CZ2 3.3Å; V418-W422 HydrophobicContact CG1-CZ3 4.31Å; V418-W422 PolarHBondContact O-N 3.14Å; R419-W422 HydrophobicContact CG-CE3 3.99Å; R419-W422 HydrophobicContact CG-CZ3 3.98Å; R419-W422 PolarHBondContact O-N 3.25Å; W422-R424 PolarHBondContact O-N 3.43Å; W422-F425 PolarHBondContact O-N 3.47Å; W422-G426 CarbonylContact O-C 3.4Å; W422-G426 WeakPolarHBondContact O-CA 3.44Å; W422-G426 PolarHBondContact O-N 3.21Å; W422-R427 HydrophobicContact CB-CB 4.12Å; W422-R427 HydrophobicContact CD2-CB 4.31Å; W422-R427 HydrophobicContact CD2-CG 3.93Å; W422-R427 HydrophobicContact CG-CB 3.9Å; W422-R427 HydrophobicContact CG-CG 3.96Å; W422-R427 VanDerWaalsContact CH2-CZ 3.49Å; W422-R427 HydrophobicContact CZ2-CG 4.45Å; W422-R427 VanDerWaalsContact CZ2-NE 3.3Å; W422-H534 WeakPolarHBondContact CB-ND1 3.45Å; W422-H534 HydrophobicContact CE3-CB 4.36Å; W422-H534 PolarHBondContact O-CE1 3.2Å
423A98.4Very high98.6Very high59 Ų5934.1 Ų34.149%0.48817%0.169SC..Hα-helixtrans-58.8-34.517700000112.5R419 E420 H421R419-A423 WeakPolarHBondContact O-CB 3.29Å; R419-A423 PolarHBondContact O-N 2.93Å; E420-A423 PolarHBondContact O-N 3.29Å; H421-A423 PolarHBondContact O-N 3.32Å
424R98.4Very high98.4Very high180 Ų18032.2 Ų32.268%0.67915%0.149SC*.Hα-helixtrans-80.7-41.7-179.8-176.6175175.6-165-1.8113.7E420 H421 W422E420-R424 WeakPolarHBondContact O-CB 3.11Å; E420-R424 PolarHBondContact O-N 3.48Å; H421-R424 PolarHBondContact O-N 2.82Å; H421-R424 VanDerWaalsContact O-N 3.17Å; W422-R424 PolarHBondContact O-N 3.43Å
425F98.5Very high98.2Very high29 Ų2932 Ų3213%0.12715%0.148CC..Hα-helixtrans-111.2-6.8-169.7-61.2-70.1000114.2A320 R348 V349 A352 H421 W422 F527A320-F425 HydrophobicContact CB-CE2 4.01Å; A320-F425 HydrophobicContact CB-CZ 4.35Å; R348-F425 HydrophobicContact CB-CB 4.24Å; V349-F425 HydrophobicContact CG2-CD2 4.35Å; V349-F425 HydrophobicContact CG2-CE2 4.32Å; V349-F425 HydrophobicContact CG2-CG 4.47Å; V349-F425 HydrophobicContact CG2-CZ 4.43Å; A352-F425 HydrophobicContact CB-CD1 4.38Å; A352-F425 HydrophobicContact CB-CE1 3.64Å; H421-F425 AromaticContact CD2-CD2 3.93Å; H421-F425 AromaticContact CE1-CD2 3.45Å; H421-F425 VanDerWaalsContact CE1-CD2 3.45Å; H421-F425 WeakPolarHBondContact CE1-CD2 3.36Å; H421-F425 AromaticContact CE1-CE2 3.76Å; H421-F425 AromaticContact CG-CD2 3.87Å; H421-F425 AromaticContact ND1-CD2 3.57Å; H421-F425 AromaticContact ND1-CE2 3.72Å; H421-F425 AromaticContact NE2-CD2 3.66Å; H421-F425 WeakPolarHBondContact O-CD2 3.29Å; H421-F425 PolarHBondContact O-N 2.93Å; W422-F425 PolarHBondContact O-N 3.47Å; F425-F527 WeakPolarHBondContact O-CE2 3.23Å
426G98.5Very high97.9Very high6 Ų632 Ų326%0.06215%0.147CC..  trans81.9166-163.300000111.8W422 E528W422-G426 CarbonylContact O-C 3.4Å; W422-G426 WeakPolarHBondContact O-CA 3.44Å; W422-G426 PolarHBondContact O-N 3.21Å; G426-E528 WeakPolarHBondContact CA-O 3.5Å
427R98.7Very high97.4Very high31 Ų3129.9 Ų29.912%0.11715%0.151CC..EExtended strand (participates in β ladder)trans-104.3125.9176.7-174.8170.7-175-160.2-5.8110.1W422 Y429 E528 H534 T538W422-R427 HydrophobicContact CB-CB 4.12Å; W422-R427 HydrophobicContact CD2-CB 4.31Å; W422-R427 HydrophobicContact CD2-CG 3.93Å; W422-R427 HydrophobicContact CG-CB 3.9Å; W422-R427 HydrophobicContact CG-CG 3.96Å; W422-R427 VanDerWaalsContact CH2-CZ 3.49Å; W422-R427 HydrophobicContact CZ2-CG 4.45Å; W422-R427 VanDerWaalsContact CZ2-NE 3.3Å; R427-Y429 HydrophobicContact CB-CE2 4.43Å; R427-Y429 HydrophobicContact CG-CD2 4.25Å; R427-Y429 HydrophobicContact CG-CE2 4.19Å; R427-Y429 PolarHBondContact NH1-OH 3.34Å; R427-Y429 PolarHBondContact O-N 2.89Å; R427-E528 PolarHBondContact N-O 3.27Å; R427-E528 PolarHBondContact O-N 2.78Å; R427-H534 PolarHBondContact N-NE2 2.98Å; R427-H534 PolarHBondContact NH1-O 2.82Å; R427-T538 PolarHBondContact NH2-OG1 2.67Å
428N98.7Very high97Very high5 Ų530.1 Ų30.13%0.02715%0.152CC..EExtended strand (participates in β ladder)trans-94.190.3169-69.475.2000108.1A345 F430 E525 S526A345-N428 HydrophobicContact CB-CB 4.17Å; N428-F430 PolarHBondContact O-N 3.41Å; N428-E525 HydrophobicContact CB-CG 4.47Å; N428-E525 PolarHBondContact ND2-OE1 3.02Å; N428-S526 CarbonylContact C-O 3.59Å
429Y98.8Very high96.6Very high2 Ų234.7 Ų34.71%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-57.5129.2171-74.4-84.3000109R427 E525 S526 E528 R533 H534 R536 T538 V541R427-Y429 HydrophobicContact CB-CE2 4.43Å; R427-Y429 HydrophobicContact CG-CD2 4.25Å; R427-Y429 HydrophobicContact CG-CE2 4.19Å; R427-Y429 PolarHBondContact NH1-OH 3.34Å; R427-Y429 PolarHBondContact O-N 2.89Å; Y429-E525 CarbonylContact O-C 3.53Å; Y429-E525 WeakPolarHBondContact O-CA 3.31Å; Y429-S526 WeakPolarHBondContact CB-O 3.29Å; Y429-S526 PolarHBondContact N-O 2.74Å; Y429-S526 PolarHBondContact O-N 2.72Å; Y429-E528 HydrophobicContact CD2-CB 4.09Å; Y429-E528 HydrophobicContact CE2-CB 3.8Å; Y429-E528 HydrophobicContact CE2-CG 4.37Å; Y429-R533 PolarHBondContact OH-O 2.97Å; Y429-H534 WeakPolarHBondContact OH-CA 3.23Å; Y429-H534 PolarHBondContact OH-O 3.32Å; Y429-R536 WeakPolarHBondContact CE1-O 3.22Å; Y429-R536 PolarHBondContact OH-N 3.2Å; Y429-T538 HydrophobicContact CD1-CG2 4.2Å; Y429-V541 HydrophobicContact CD1-CB 4.17Å; Y429-V541 HydrophobicContact CD1-CG1 4.36Å; Y429-V541 HydrophobicContact CD1-CG2 4.15Å; Y429-V541 HydrophobicContact CD2-CB 4.4Å; Y429-V541 HydrophobicContact CD2-CG1 3.78Å; Y429-V541 HydrophobicContact CD2-CG2 4.36Å; Y429-V541 HydrophobicContact CE1-CB 4.42Å; Y429-V541 HydrophobicContact CE1-CG2 3.9Å; Y429-V541 HydrophobicContact CE2-CG1 4.27Å; Y429-V541 HydrophobicContact CE2-CG2 4.13Å; Y429-V541 HydrophobicContact CG-CB 4.13Å; Y429-V541 HydrophobicContact CG-CG1 3.82Å; Y429-V541 HydrophobicContact CG-CG2 4.36Å
430F98.8Very high96.2Very high10 Ų1033.5 Ų33.54%0.04418%0.181CC..EExtended strand (participates in β ladder)trans-143139-174.6-174.2-90.5000111A341 E382 N428 Y523 A524 E525 L542A341-F430 WeakPolarHBondContact O-CE2 3.45Å; A341-F430 VanDerWaalsContact O-CZ 3.23Å; A341-F430 WeakPolarHBondContact O-CZ 3.43Å; E382-F430 HydrophobicContact CB-CE1 3.76Å; E382-F430 HydrophobicContact CB-CZ 3.81Å; E382-F430 HydrophobicContact CG-CE1 4.27Å; E382-F430 HydrophobicContact CG-CZ 4.01Å; N428-F430 PolarHBondContact O-N 3.41Å; F430-Y523 AromaticContact CZ-CD1 3.88Å; F430-Y523 HydrophobicContact CZ-CD1 3.88Å; F430-Y523 HydrophobicContact CZ-CG 4.47Å; F430-A524 WeakPolarHBondContact CA-O 3.15Å; F430-E525 HydrophobicContact CD2-CB 4.08Å; F430-E525 HydrophobicContact CD2-CG 4.36Å; F430-L542 VanDerWaalsContact C-CD1 3.47Å
431C98.2Very high95.9Very high0 Ų038.7 Ų38.70%020%0.197CC..EExtended strand (participates in β ladder)trans-146.1157.9165.972.20000111.8Y523 A524 L542 T568C431-Y523 WeakPolarHBondContact O-CA 3.49Å; C431-A524 PolarHBondContact N-O 2.82Å; C431-A524 PolarHBondContact O-N 2.89Å; C431-L542 HydrophobicContact CB-CD1 3.76Å; C431-L542 WeakPolarHBondContact SG-CD1 3.29Å; C431-T568 CarbonylContact C-O 3.35Å; C431-T568 WeakPolarHBondContact CA-O 3.25Å; C431-T568 WeakPolarHBondContact CB-O 3.42Å
432R97.9Very high95.6Very high2 Ų239.2 Ų39.21%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-123.4134.1173.5-172.3-178.284-138.6-4.5111.1E382 D434 I522 Y523 I567 T568E382-R432 IonicContact OE1-NH1 3.95Å; E382-R432 PolarHBondContact OE1-NH1 3.49Å; E382-R432 WeakPolarHBondContact OE2-CD 3.43Å; E382-R432 IonicContact OE2-CZ 2.99Å; E382-R432 IonicContact OE2-NE 3.18Å; E382-R432 IonicContact OE2-NH1 3.7Å; E382-R432 PolarHBondContact OE2-NH1 3.45Å; R432-D434 WeakPolarHBondContact CD-OD1 3.42Å; R432-D434 IonicContact CZ-OD1 3.91Å; R432-D434 IonicContact CZ-OD2 3.39Å; R432-D434 VanDerWaalsContact CZ-OD2 3.27Å; R432-D434 VanDerWaalsContact NE-CG 3.3Å; R432-D434 IonicContact NE-OD1 3.39Å; R432-D434 PolarHBondContact NE-OD1 3.2Å; R432-D434 IonicContact NE-OD2 3.58Å; R432-D434 PolarHBondContact NE-OD2 3.44Å; R432-D434 IonicContact NH2-OD2 3.14Å; R432-D434 PolarHBondContact NH2-OD2 3.41Å; R432-I522 CarbonylContact C-O 3.58Å; R432-I522 WeakPolarHBondContact CA-O 3.46Å; R432-Y523 HydrophobicContact CB-CD1 4.07Å; R432-Y523 HydrophobicContact CB-CE1 4.44Å; R432-Y523 HydrophobicContact CG-CD1 3.63Å; R432-Y523 HydrophobicContact CG-CE1 3.63Å; R432-Y523 HydrophobicContact CG-CG 4.41Å; R432-I567 WeakPolarHBondContact O-CA 3.35Å; R432-T568 PolarHBondContact N-O 3.2Å; R432-T568 PolarHBondContact O-N 2.78Å
433F97.6Very high95.3Very high16 Ų1638.9 Ų38.97%0.0720%0.203CC..EExtended strand (participates in β ladder)trans-109.8121.8172.5-83.428.4000109.2Y435 R521 I522 I546 P564 I567F433-Y435 HydrophobicContact CB-CE2 4.1Å; F433-Y435 HydrophobicContact CD2-CE2 4.41Å; F433-R521 WeakPolarHBondContact O-CA 3.36Å; F433-I522 HydrophobicContact CB-CB 4.31Å; F433-I522 PolarHBondContact N-O 2.89Å; F433-I522 PolarHBondContact O-N 2.66Å; F433-I546 HydrophobicContact CD1-CD1 4.36Å; F433-I546 HydrophobicContact CD2-CD1 4.5Å; F433-I546 HydrophobicContact CD2-CG2 4.31Å; F433-I546 HydrophobicContact CE1-CD1 4.31Å; F433-I546 HydrophobicContact CE2-CD1 4.46Å; F433-I546 HydrophobicContact CE2-CG2 3.66Å; F433-I546 HydrophobicContact CG-CD1 4.47Å; F433-I546 HydrophobicContact CZ-CD1 4.38Å; F433-I546 HydrophobicContact CZ-CG1 4.41Å; F433-I546 HydrophobicContact CZ-CG2 4.01Å; F433-P564 HydrophobicContact CB-CB 3.94Å; F433-P564 HydrophobicContact CB-CG 4.34Å; F433-P564 HydrophobicContact CD1-CG 4.42Å; F433-P564 HydrophobicContact CD2-CB 3.97Å; F433-P564 HydrophobicContact CD2-CG 3.54Å; F433-P564 HydrophobicContact CE2-CG 3.83Å; F433-P564 HydrophobicContact CG-CB 4.02Å; F433-P564 HydrophobicContact CG-CG 3.85Å; F433-P564 HydrophobicContact CZ-CG 4.4Å; F433-I567 HydrophobicContact CD1-CB 4.37Å; F433-I567 HydrophobicContact CD1-CD1 4.37Å; F433-I567 HydrophobicContact CD1-CG1 3.86Å; F433-I567 HydrophobicContact CD1-CG2 3.96Å; F433-I567 HydrophobicContact CE1-CB 4.29Å; F433-I567 HydrophobicContact CE1-CD1 3.75Å; F433-I567 HydrophobicContact CE1-CG1 3.73Å; F433-I567 HydrophobicContact CE1-CG2 3.65Å; F433-I567 HydrophobicContact CG-CG1 4.47Å; F433-I567 HydrophobicContact CZ-CD1 3.82Å; F433-I567 HydrophobicContact CZ-CG1 4.21Å
434D95.1Very high95Very high2 Ų242 Ų421%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-106.1124.4178.4-61.7-36.4000110.7R432 E436 R521 P564 N565 V566R432-D434 WeakPolarHBondContact CD-OD1 3.42Å; R432-D434 IonicContact CZ-OD1 3.91Å; R432-D434 IonicContact CZ-OD2 3.39Å; R432-D434 VanDerWaalsContact CZ-OD2 3.27Å; R432-D434 VanDerWaalsContact NE-CG 3.3Å; R432-D434 IonicContact NE-OD1 3.39Å; R432-D434 PolarHBondContact NE-OD1 3.2Å; R432-D434 IonicContact NE-OD2 3.58Å; R432-D434 PolarHBondContact NE-OD2 3.44Å; R432-D434 IonicContact NH2-OD2 3.14Å; R432-D434 PolarHBondContact NH2-OD2 3.41Å; D434-E436 HydrophobicContact CB-CG 4.36Å; D434-R521 VanDerWaalsContact OD1-CD 3.3Å; D434-R521 WeakPolarHBondContact OD1-CD 3.38Å; D434-R521 WeakPolarHBondContact OD1-CG 3.39Å; D434-R521 IonicContact OD1-NE 2.69Å; D434-P564 CarbonylContact O-C 3.58Å; D434-P564 WeakPolarHBondContact O-CB 3.26Å; D434-N565 PolarHBondContact O-N 3.18Å; D434-V566 HydrophobicContact CB-CB 4.17Å; D434-V566 PolarHBondContact N-O 2.92Å; D434-V566 PolarHBondContact O-N 3.16Å
435Y94.7Very high94.9Very high0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans-109.896.9172.2-69.1-101.7000108.2F433 L438 T519 M520 I522 L550 I555 H556 R561 G563 P564F433-Y435 HydrophobicContact CB-CE2 4.1Å; F433-Y435 HydrophobicContact CD2-CE2 4.41Å; Y435-L438 WeakPolarHBondContact O-CG 3.41Å; Y435-T519 CarbonylContact O-C 3.56Å; Y435-T519 VanDerWaalsContact O-CA 3.29Å; Y435-T519 WeakPolarHBondContact O-CA 3.5Å; Y435-M520 PolarHBondContact N-O 3.39Å; Y435-M520 PolarHBondContact O-N 3.39Å; Y435-I522 HydrophobicContact CE2-CD1 4.13Å; Y435-L550 WeakPolarHBondContact OH-CD2 3.18Å; Y435-I555 HydrophobicContact CD1-CD1 3.49Å; Y435-I555 VanDerWaalsContact CD1-CD1 3.49Å; Y435-I555 HydrophobicContact CD1-CG1 4.39Å; Y435-I555 HydrophobicContact CD2-CD1 3.34Å; Y435-I555 HydrophobicContact CE1-CD1 3.59Å; Y435-I555 HydrophobicContact CE1-CG1 4.4Å; Y435-I555 HydrophobicContact CE2-CD1 3.47Å; Y435-I555 VanDerWaalsContact CE2-CD1 3.47Å; Y435-I555 HydrophobicContact CG-CD1 3.34Å; Y435-H556 AromaticContact CE1-CD2 3.95Å; Y435-H556 AromaticContact CZ-NE2 3.99Å; Y435-H556 PolarHBondContact OH-NE2 2.99Å; Y435-R561 HydrophobicContact CD1-CB 4.05Å; Y435-R561 HydrophobicContact CD1-CG 4.21Å; Y435-R561 HydrophobicContact CE1-CB 4.09Å; Y435-G563 VanDerWaalsContact CE1-C 3.44Å; Y435-G563 VanDerWaalsContact CE1-O 3.28Å; Y435-G563 WeakPolarHBondContact CE1-O 3.19Å; Y435-P564 HydrophobicContact CD2-CB 4.28Å; Y435-P564 HydrophobicContact CE2-CB 3.92Å
436E91.2Very high94.8Very high63 Ų6336 Ų3629%0.29418%0.183SC..EExtended strand (participates in β ladder)trans-94.4151.4-172.5-59.3-177.4178.400111.4D434 L438 T519 R561 N565D434-E436 HydrophobicContact CB-CG 4.36Å; E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 2.93Å; E436-T519 HydrophobicContact CG-CG2 4.01Å; E436-R561 VanDerWaalsContact O-CZ 3.26Å; E436-R561 PolarHBondContact O-NH1 2.88Å; E436-R561 PolarHBondContact O-NH2 3.02Å; E436-N565 HydrophobicContact CB-CB 4.33Å; E436-N565 HydrophobicContact CG-CB 4.21Å; E436-N565 PolarHBondContact N-OD1 2.76Å; E436-N565 PolarHBondContact O-OD1 2.84Å
437G88.6Confident94.7Very high51 Ų5137 Ų3753%0.52619%0.186SC..EExtended strand (participates in β ladder)trans63.735174.400000113.5A518 R561G437-A518 PolarHBondContact N-O 2.61Å; G437-A518 VanDerWaalsContact N-O 3.16Å; G437-R561 PolarHBondContact O-NH2 3.45Å
438L91.2Very high94.5Very high5 Ų541 Ų413%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-74.4153.6174.2-61.6-178000110.9Y435 E436 P440 A443 G517 A518 M520 T559 R561Y435-L438 WeakPolarHBondContact O-CG 3.41Å; E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 2.93Å; L438-P440 WeakPolarHBondContact O-CD 3.47Å; L438-A443 HydrophobicContact CB-CB 4.36Å; L438-A443 HydrophobicContact CD1-CB 4.38Å; L438-G517 CarbonylContact O-C 3.47Å; L438-G517 VanDerWaalsContact O-CA 3.3Å; L438-G517 WeakPolarHBondContact O-CA 3.36Å; L438-A518 HydrophobicContact CB-CB 4.46Å; L438-A518 WeakPolarHBondContact CB-O 3.45Å; L438-A518 PolarHBondContact N-O 2.82Å; L438-A518 PolarHBondContact O-N 3.37Å; L438-M520 HydrophobicContact CD1-CB 3.85Å; L438-T559 HydrophobicContact CD1-CG2 4.03Å; L438-T559 HydrophobicContact CD2-CG2 3.82Å; L438-T559 HydrophobicContact CG-CG2 4.46Å; L438-R561 HydrophobicContact CD2-CG 3.96Å
439D91.3Very high94.5Very high97 Ų9742.6 Ų42.652%0.51921%0.209SC..  trans-59.2121.1165.8172.4-117000109.6R441 A442 A443D439-R441 PolarHBondContact O-N 2.92Å; D439-R441 WeakPolarHBondContact OD1-CB 3.33Å; D439-R441 PolarHBondContact OD1-N 3.12Å; D439-A442 HydrophobicContact CB-CB 4.03Å; D439-A442 PolarHBondContact O-N 3.4Å; D439-A442 WeakPolarHBondContact OD1-CB 3.39Å; D439-A442 PolarHBondContact OD1-N 3.22Å; D439-A443 WeakPolarHBondContact O-CB 3.17Å; D439-A443 PolarHBondContact O-N 3Å
440P89.6Confident94.5Very high64 Ų6442.7 Ų42.742%0.41621%0.21SC..Hα-helixtrans-58.9-34.3-176.3-26.334.9000113.4L438 F444 T516 A518L438-P440 WeakPolarHBondContact O-CD 3.47Å; P440-F444 WeakPolarHBondContact O-CB 3.38Å; P440-F444 PolarHBondContact O-N 2.82Å; P440-T516 WeakPolarHBondContact CG-O 3.45Å; P440-A518 HydrophobicContact CB-CB 4.37Å; P440-A518 HydrophobicContact CG-CB 4.49Å
441R91.3Very high94.4Very high173 Ų17345.1 Ų45.165%0.65322%0.222SC*.Hα-helixtrans-69.1-48.3179.6-175.5-179.2-179.3-175.90.7110.7D439 A443 F444 Y445D439-R441 PolarHBondContact O-N 2.92Å; D439-R441 WeakPolarHBondContact OD1-CB 3.33Å; D439-R441 PolarHBondContact OD1-N 3.12Å; R441-A443 VanDerWaalsContact C-N 3.32Å; R441-A443 PolarHBondContact O-N 3.25Å; R441-F444 PolarHBondContact O-N 2.99Å; R441-Y445 HydrophobicContact CG-CD2 3.82Å; R441-Y445 HydrophobicContact CG-CE2 3.6Å; R441-Y445 WeakPolarHBondContact O-CD2 3.3Å; R441-Y445 PolarHBondContact O-N 3.08Å; R441-Y445 VanDerWaalsContact O-N 3.07Å
442A93.2Very high94.4Very high22 Ų2249.7 Ų49.718%0.18225%0.249CC..Hα-helixtrans-57.8-45.1175.400000111.9D439 Y445 L446D439-A442 HydrophobicContact CB-CB 4.03Å; D439-A442 PolarHBondContact O-N 3.4Å; D439-A442 WeakPolarHBondContact OD1-CB 3.39Å; D439-A442 PolarHBondContact OD1-N 3.22Å; A442-Y445 PolarHBondContact O-N 3.1Å; A442-L446 WeakPolarHBondContact O-CB 3.44Å; A442-L446 PolarHBondContact O-N 3.16Å
443A92.8Very high94.4Very high0 Ų052.7 Ų52.70%027%0.268CS..Hα-helixtrans-65.5-39.3179.200000112.6L438 D439 R441 L446 M447 M509 A518L438-A443 HydrophobicContact CB-CB 4.36Å; L438-A443 HydrophobicContact CD1-CB 4.38Å; D439-A443 WeakPolarHBondContact O-CB 3.17Å; D439-A443 PolarHBondContact O-N 3Å; R441-A443 VanDerWaalsContact C-N 3.32Å; R441-A443 PolarHBondContact O-N 3.25Å; A443-L446 PolarHBondContact O-N 2.61Å; A443-M447 WeakPolarHBondContact O-CG 3.29Å; A443-M447 PolarHBondContact O-N 3.29Å; A443-M447 VanDerWaalsContact O-N 3.12Å; A443-M509 HydrophobicContact CB-CE 3.59Å; A443-M509 HydrophobicContact CB-SD 3.82Å; A443-A518 HydrophobicContact CB-CB 3.89Å
444F92.9Very high94.4Very high124 Ų12452.2 Ų52.254%0.54427%0.266SS..Hα-helixtrans-59.8-51.8173.7174-94.1000112P440 R441 L446 M447 R448P440-F444 WeakPolarHBondContact O-CB 3.38Å; P440-F444 PolarHBondContact O-N 2.82Å; R441-F444 PolarHBondContact O-N 2.99Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-L446 PolarHBondContact O-N 3.04Å; F444-M447 PolarHBondContact O-N 2.95Å; F444-R448 WeakPolarHBondContact O-CB 3.28Å; F444-R448 PolarHBondContact O-N 3.5Å
445Y95.1Very high94.4Very high84 Ų8455.6 Ų55.633%0.32929%0.29SS..Hα-helixtrans-66.2-35.6-179.6-76.9-66.9000112.4R441 A442 R448 D449R441-Y445 HydrophobicContact CG-CD2 3.82Å; R441-Y445 HydrophobicContact CG-CE2 3.6Å; R441-Y445 WeakPolarHBondContact O-CD2 3.3Å; R441-Y445 PolarHBondContact O-N 3.08Å; R441-Y445 VanDerWaalsContact O-N 3.07Å; A442-Y445 PolarHBondContact O-N 3.1Å; Y445-R448 VanDerWaalsContact CD1-CZ 3.41Å; Y445-R448 PolarHBondContact O-N 2.91Å; Y445-D449 VanDerWaalsContact O-CB 3.27Å; Y445-D449 WeakPolarHBondContact O-CB 3.23Å; Y445-D449 PolarHBondContact O-N 3.49Å
446L96.1Very high94.6Very high0 Ų060 Ų600%031%0.314CS..Hα-helixtrans-56.2-53.6172.9-176.2164.6000111.1A442 A443 F444 R448 D449 L450 M520 I555 R558A442-L446 WeakPolarHBondContact O-CB 3.44Å; A442-L446 PolarHBondContact O-N 3.16Å; A443-L446 PolarHBondContact O-N 2.61Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-L446 PolarHBondContact O-N 3.04Å; L446-R448 PolarHBondContact O-N 2.83Å; L446-D449 PolarHBondContact O-N 2.91Å; L446-L450 VanDerWaalsContact O-CB 3.3Å; L446-L450 WeakPolarHBondContact O-CB 3.22Å; L446-L450 PolarHBondContact O-N 3.49Å; L446-M520 HydrophobicContact CD1-CE 3.6Å; L446-M520 HydrophobicContact CD1-SD 4.09Å; L446-M520 HydrophobicContact CD2-CE 3.81Å; L446-M520 HydrophobicContact CD2-SD 3.47Å; L446-M520 WeakPolarHBondContact CD2-SD 3.42Å; L446-M520 HydrophobicContact CG-CE 4.38Å; L446-M520 HydrophobicContact CG-SD 4.37Å; L446-I555 HydrophobicContact CD1-CB 3.84Å; L446-I555 HydrophobicContact CD1-CG1 3.74Å; L446-R558 HydrophobicContact CD1-CB 4.37Å
447M96.1Very high94.7Very high27 Ų2766.4 Ų66.413%0.13334%0.34CS..Hα-helixtrans-63.4-43.7-178.7-71.8-68.8-65.800111.9A443 F444 D449 L450 E451 L495 F507 M509 M520A443-M447 WeakPolarHBondContact O-CG 3.29Å; A443-M447 PolarHBondContact O-N 3.29Å; A443-M447 VanDerWaalsContact O-N 3.12Å; F444-M447 PolarHBondContact O-N 2.95Å; M447-D449 PolarHBondContact O-N 2.87Å; M447-L450 PolarHBondContact O-N 3.33Å; M447-E451 WeakPolarHBondContact O-CB 3.2Å; M447-E451 PolarHBondContact O-N 2.9Å; M447-L495 HydrophobicContact CE-CD1 3.72Å; M447-L495 HydrophobicContact CE-CG 3.7Å; M447-L495 WeakPolarHBondContact O-CD1 3.42Å; M447-L495 HydrophobicContact SD-CD1 4.2Å; M447-F507 HydrophobicContact CE-CB 4.39Å; M447-F507 HydrophobicContact SD-CB 4.1Å; M447-M509 HydrophobicContact CE-CG 4.24Å; M447-M509 HydrophobicContact CG-CG 3.49Å; M447-M509 VanDerWaalsContact CG-CG 3.49Å; M447-M509 HydrophobicContact CG-SD 3.95Å; M447-M509 HydrophobicContact SD-CG 4.15Å; M447-M520 HydrophobicContact CG-SD 4.23Å; M447-M520 HydrophobicContact SD-CG 4.42Å; M447-M520 HydrophobicContact SD-SD 3.78Å
448R96.4Very high95Very high113 Ų11366.3 Ų66.343%0.42634%0.335SS..Hα-helixtrans-60.7-45.6177.7-174.9-158.769.9167.20.6112.3F444 Y445 L446 E451 T452F444-R448 WeakPolarHBondContact O-CB 3.28Å; F444-R448 PolarHBondContact O-N 3.5Å; Y445-R448 VanDerWaalsContact CD1-CZ 3.41Å; Y445-R448 PolarHBondContact O-N 2.91Å; L446-R448 PolarHBondContact O-N 2.83Å; R448-E451 PolarHBondContact O-N 2.78Å; R448-T452 PolarHBondContact O-N 2.61Å; R448-T452 PolarHBondContact O-OG1 2.72Å
449D97.7Very high95.3Very high39 Ų3966.6 Ų66.621%0.20934%0.336CS..Hα-helixtrans-68.5-40.4-179.4-65.4-7000110.1Y445 L446 M447 T452 V453 R558Y445-D449 VanDerWaalsContact O-CB 3.27Å; Y445-D449 WeakPolarHBondContact O-CB 3.23Å; Y445-D449 PolarHBondContact O-N 3.49Å; L446-D449 PolarHBondContact O-N 2.91Å; M447-D449 PolarHBondContact O-N 2.87Å; D449-T452 WeakPolarHBondContact O-CB 3.2Å; D449-T452 PolarHBondContact O-N 2.82Å; D449-V453 WeakPolarHBondContact O-CG2 3.4Å; D449-V453 PolarHBondContact O-N 2.81Å; D449-R558 IonicContact OD2-CZ 2.72Å; D449-R558 IonicContact OD2-NH1 2.72Å; D449-R558 PolarHBondContact OD2-NH1 3.41Å; D449-R558 IonicContact OD2-NH2 3.95Å; D449-R558 PolarHBondContact OD2-NH2 2.95Å
450L98Very high95.4Very high4 Ų465 Ų652%0.02133%0.332CS..Hα-helixtrans-63.2-43.3174.8-179.559.2000111.8L446 M447 T452 V453 I454 L495 F507 I552L446-L450 VanDerWaalsContact O-CB 3.3Å; L446-L450 WeakPolarHBondContact O-CB 3.22Å; L446-L450 PolarHBondContact O-N 3.49Å; M447-L450 PolarHBondContact O-N 3.33Å; L450-T452 VanDerWaalsContact C-N 3.26Å; L450-T452 PolarHBondContact O-N 2.7Å; L450-V453 PolarHBondContact O-N 2.78Å; L450-V453 VanDerWaalsContact O-N 3.17Å; L450-I454 HydrophobicContact CD1-CG2 4.03Å; L450-I454 HydrophobicContact CG-CG2 4.48Å; L450-I454 WeakPolarHBondContact O-CG2 3.45Å; L450-I454 PolarHBondContact O-N 3.46Å; L450-L495 HydrophobicContact CB-CD1 3.98Å; L450-L495 HydrophobicContact CD2-CD1 3.95Å; L450-L495 HydrophobicContact CG-CD1 3.84Å; L450-F507 HydrophobicContact CD2-CB 4.1Å; L450-F507 HydrophobicContact CD2-CD1 3.69Å; L450-F507 HydrophobicContact CD2-CD2 3.71Å; L450-F507 HydrophobicContact CD2-CE1 3.98Å; L450-F507 HydrophobicContact CD2-CE2 4Å; L450-F507 HydrophobicContact CD2-CG 3.56Å; L450-F507 HydrophobicContact CD2-CZ 4.12Å; L450-I552 HydrophobicContact CD1-CB 4.46Å; L450-I552 HydrophobicContact CD1-CD1 4.18Å; L450-I552 HydrophobicContact CD1-CG1 3.9Å; L450-I552 HydrophobicContact CD1-CG2 4.01Å
451E98.1Very high95.6Very high62 Ų6266.5 Ų66.529%0.2934%0.344SS..Hα-helixtrans-57.1-42.7173.9-177172.5-164.600111.4M447 R448 V453 I454 S455 N478 L495M447-E451 WeakPolarHBondContact O-CB 3.2Å; M447-E451 PolarHBondContact O-N 2.9Å; R448-E451 PolarHBondContact O-N 2.78Å; E451-V453 VanDerWaalsContact C-N 3.34Å; E451-V453 PolarHBondContact O-N 3.34Å; E451-I454 PolarHBondContact O-N 2.87Å; E451-S455 WeakPolarHBondContact O-CB 3.35Å; E451-S455 PolarHBondContact O-N 2.7Å; E451-S455 PolarHBondContact O-OG 3.46Å; E451-N478 VanDerWaalsContact CD-ND2 3.29Å; E451-N478 PolarHBondContact OE1-ND2 3.4Å; E451-L495 HydrophobicContact CB-CD1 3.99Å; E451-L495 HydrophobicContact CB-CD2 3.74Å; E451-L495 HydrophobicContact CG-CD2 3.84Å
452T97.7Very high95.9Very high95 Ų9562.4 Ų62.458%0.58333%0.333SS*.Hα-helixtrans-61.9-42.8177-56.70000111.3R448 D449 L450R448-T452 PolarHBondContact O-N 2.61Å; R448-T452 PolarHBondContact O-OG1 2.72Å; D449-T452 WeakPolarHBondContact O-CB 3.2Å; D449-T452 PolarHBondContact O-N 2.82Å; L450-T452 VanDerWaalsContact C-N 3.26Å; L450-T452 PolarHBondContact O-N 2.7Å
453V97.7Very high96.1Very high66 Ų6668.2 Ų68.240%0.435%0.354SS..Hα-helixtrans-63.3-49.2176.9170.70000111.5D449 L450 E451 S455 D456 F459 I552D449-V453 WeakPolarHBondContact O-CG2 3.4Å; D449-V453 PolarHBondContact O-N 2.81Å; L450-V453 PolarHBondContact O-N 2.78Å; L450-V453 VanDerWaalsContact O-N 3.17Å; E451-V453 VanDerWaalsContact C-N 3.34Å; E451-V453 PolarHBondContact O-N 3.34Å; V453-S455 VanDerWaalsContact C-N 3.29Å; V453-S455 PolarHBondContact O-N 2.86Å; V453-D456 WeakPolarHBondContact O-CB 3.19Å; V453-D456 PolarHBondContact O-N 3.16Å; V453-F459 HydrophobicContact CG1-CD2 4.18Å; V453-F459 HydrophobicContact CG1-CE2 3.99Å; V453-F459 WeakPolarHBondContact O-CD2 3.44Å; V453-I552 HydrophobicContact CG1-CD1 4Å; V453-I552 HydrophobicContact CG1-CG1 4.11Å
454I97.4Very high96.4Very high5 Ų570.4 Ų70.43%0.02636%0.363CS..Hα-helixtrans-76.2-19-174.471.9169.4000113.3L450 E451 D456 F459 A476 L495 I497 I552L450-I454 HydrophobicContact CD1-CG2 4.03Å; L450-I454 HydrophobicContact CG-CG2 4.48Å; L450-I454 WeakPolarHBondContact O-CG2 3.45Å; L450-I454 PolarHBondContact O-N 3.46Å; E451-I454 PolarHBondContact O-N 2.87Å; I454-D456 VanDerWaalsContact C-N 3.33Å; I454-F459 HydrophobicContact CB-CD1 4.11Å; I454-F459 HydrophobicContact CB-CE1 3.99Å; I454-F459 HydrophobicContact CB-CZ 4.35Å; I454-F459 HydrophobicContact CG2-CD1 4.47Å; I454-F459 HydrophobicContact CG2-CE1 3.9Å; I454-F459 HydrophobicContact CG2-CE2 4.31Å; I454-F459 HydrophobicContact CG2-CZ 3.82Å; I454-A476 HydrophobicContact CB-CB 3.91Å; I454-A476 HydrophobicContact CD1-CB 4.46Å; I454-L495 HydrophobicContact CD1-CB 3.78Å; I454-L495 HydrophobicContact CD1-CD2 4.09Å; I454-L495 HydrophobicContact CD1-CG 4.35Å; I454-I497 HydrophobicContact CG2-CD1 3.9Å; I454-I497 HydrophobicContact CG2-CG1 4.01Å; I454-I552 HydrophobicContact CG2-CD1 4.38Å
455S96.4Very high96.6Very high74 Ų7468.1 Ų68.152%0.51737%0.367SS..THydrogen-bonded Turntrans-86.5-4.3177.2-560000113.1E451 V453E451-S455 WeakPolarHBondContact O-CB 3.35Å; E451-S455 PolarHBondContact O-N 2.7Å; E451-S455 PolarHBondContact O-OG 3.46Å; V453-S455 VanDerWaalsContact C-N 3.29Å; V453-S455 PolarHBondContact O-N 2.86Å
456D96.9Very high96.6Very high93 Ų9366.3 Ų66.350%0.49737%0.365SS..SBendtrans-63.3137174.5-174.7-86.2000110.9V453 I454 A458 F459V453-D456 WeakPolarHBondContact O-CB 3.19Å; V453-D456 PolarHBondContact O-N 3.16Å; I454-D456 VanDerWaalsContact C-N 3.33Å; D456-A458 PolarHBondContact O-N 3.24Å; D456-A458 WeakPolarHBondContact OD1-CA 3.44Å; D456-A458 VanDerWaalsContact OD1-CB 3.25Å; D456-A458 WeakPolarHBondContact OD1-CB 3.39Å; D456-A458 PolarHBondContact OD1-N 2.97Å; D456-F459 HydrophobicContact CB-CB 4.37Å; D456-F459 WeakPolarHBondContact O-CB 3.38Å; D456-F459 PolarHBondContact O-N 3.08Å
457K93.4Very high96.5Very high196 Ų19669.8 Ų69.885%0.85240%0.401SS*.THydrogen-bonded Turntrans-62.7-27.4-176.4-67.9-177.2-179.8178.60113.2F459K457-F459 VanDerWaalsContact C-N 3.3Å
458A95.8Very high96.3Very high49 Ų4976.5 Ų76.541%0.40544%0.437SS..THydrogen-bonded Turntrans-83.3-7.8176.400000112.5D456 S460 S461D456-A458 PolarHBondContact O-N 3.24Å; D456-A458 WeakPolarHBondContact OD1-CA 3.44Å; D456-A458 VanDerWaalsContact OD1-CB 3.25Å; D456-A458 WeakPolarHBondContact OD1-CB 3.39Å; D456-A458 PolarHBondContact OD1-N 2.97Å; A458-S460 PolarHBondContact O-N 2.96Å; A458-S461 PolarHBondContact O-N 3.28Å; A458-S461 VanDerWaalsContact O-N 3.16Å
459F96.8Very high96.1Very high12 Ų1275 Ų755%0.05343%0.434CS..G310 helixtrans-64.1-38.5-177.5-167.3-100.1000112.7V453 I454 D456 K457 S461 Q462 F464 V473 A476 I497 I552V453-F459 HydrophobicContact CG1-CD2 4.18Å; V453-F459 HydrophobicContact CG1-CE2 3.99Å; V453-F459 WeakPolarHBondContact O-CD2 3.44Å; I454-F459 HydrophobicContact CB-CD1 4.11Å; I454-F459 HydrophobicContact CB-CE1 3.99Å; I454-F459 HydrophobicContact CB-CZ 4.35Å; I454-F459 HydrophobicContact CG2-CD1 4.47Å; I454-F459 HydrophobicContact CG2-CE1 3.9Å; I454-F459 HydrophobicContact CG2-CE2 4.31Å; I454-F459 HydrophobicContact CG2-CZ 3.82Å; D456-F459 HydrophobicContact CB-CB 4.37Å; D456-F459 WeakPolarHBondContact O-CB 3.38Å; D456-F459 PolarHBondContact O-N 3.08Å; K457-F459 VanDerWaalsContact C-N 3.3Å; F459-S461 PolarHBondContact O-N 3.31Å; F459-S461 VanDerWaalsContact O-N 3.09Å; F459-Q462 HydrophobicContact CD2-CG 4.26Å; F459-Q462 VanDerWaalsContact O-CB 3.28Å; F459-Q462 WeakPolarHBondContact O-CB 3.28Å; F459-Q462 WeakPolarHBondContact O-CG 3.39Å; F459-Q462 PolarHBondContact O-N 2.8Å; F459-F464 HydrophobicContact CE2-CE2 4.4Å; F459-F464 AromaticContact CE2-CZ 3.88Å; F459-F464 HydrophobicContact CE2-CZ 3.88Å; F459-F464 HydrophobicContact CZ-CE2 4.13Å; F459-F464 AromaticContact CZ-CZ 3.98Å; F459-F464 HydrophobicContact CZ-CZ 3.98Å; F459-V473 HydrophobicContact CD1-CG1 3.99Å; F459-V473 HydrophobicContact CD1-CG2 4.44Å; F459-V473 HydrophobicContact CE1-CG1 3.97Å; F459-V473 HydrophobicContact CE1-CG2 3.98Å; F459-V473 HydrophobicContact CZ-CG2 4.3Å; F459-A476 HydrophobicContact CD1-CB 3.59Å; F459-A476 HydrophobicContact CE1-CB 3.66Å; F459-I497 HydrophobicContact CE1-CD1 4.23Å; F459-I497 HydrophobicContact CE1-CG1 4.14Å; F459-I497 HydrophobicContact CE1-CG2 4.06Å; F459-I497 HydrophobicContact CZ-CD1 3.99Å; F459-I497 HydrophobicContact CZ-CG1 4.41Å; F459-I552 HydrophobicContact CE2-CD1 3.62Å; F459-I552 HydrophobicContact CZ-CD1 3.63Å
460S93.8Very high96.1Very high62 Ų6277.2 Ų77.243%0.43445%0.45SS..G310 helixtrans-65.5-10.917759.50000114.1A458A458-S460 PolarHBondContact O-N 2.96Å
461S94.6Very high96.1Very high96 Ų9677.3 Ų77.367%0.67145%0.45SS*.G310 helixtrans-101.2-0.4175.2-58.40000112.6A458 F459A458-S461 PolarHBondContact O-N 3.28Å; A458-S461 VanDerWaalsContact O-N 3.16Å; F459-S461 PolarHBondContact O-N 3.31Å; F459-S461 VanDerWaalsContact O-N 3.09Å
462Q97Very high96.1Very high88 Ų8875.6 Ų75.641%0.41145%0.445SS..  trans-75.5151.3-177-65.1-63.6-34.500112.2F459 F464 V473F459-Q462 HydrophobicContact CD2-CG 4.26Å; F459-Q462 VanDerWaalsContact O-CB 3.28Å; F459-Q462 WeakPolarHBondContact O-CB 3.28Å; F459-Q462 WeakPolarHBondContact O-CG 3.39Å; F459-Q462 PolarHBondContact O-N 2.8Å; Q462-F464 HydrophobicContact CB-CE2 4.26Å; Q462-F464 HydrophobicContact CB-CZ 4.4Å; Q462-V473 HydrophobicContact CB-CG2 4.25Å; Q462-V473 PolarHBondContact O-N 2.93Å
463K97.8Very high96.1Very high144 Ų14471.5 Ų71.563%0.62642%0.419SS*.EExtended strand (participates in β ladder)trans-129.4138.7172.7-61.5-174.9177.1178.90109.4V470 Y471 S472K463-V470 HydrophobicContact CB-CG1 4.27Å; K463-V470 HydrophobicContact CD-CG1 4.42Å; K463-Y471 CarbonylContact C-O 3.29Å; K463-Y471 VanDerWaalsContact CA-O 3.32Å; K463-Y471 WeakPolarHBondContact CA-O 3.02Å; K463-S472 WeakPolarHBondContact CE-OG 3.45Å
464F97.9Very high96.1Very high46 Ų4674 Ų7420%0.20243%0.427CS..EExtended strand (participates in β ladder)trans-115.9125.7176.8-59.9-84.9000109.4F459 Q462 V470 Y471 V473 F499 I548 I552F459-F464 HydrophobicContact CE2-CE2 4.4Å; F459-F464 AromaticContact CE2-CZ 3.88Å; F459-F464 HydrophobicContact CE2-CZ 3.88Å; F459-F464 HydrophobicContact CZ-CE2 4.13Å; F459-F464 AromaticContact CZ-CZ 3.98Å; F459-F464 HydrophobicContact CZ-CZ 3.98Å; Q462-F464 HydrophobicContact CB-CE2 4.26Å; Q462-F464 HydrophobicContact CB-CZ 4.4Å; F464-V470 CarbonylContact O-C 3.56Å; F464-V470 WeakPolarHBondContact O-CA 3.49Å; F464-Y471 PolarHBondContact N-O 3.26Å; F464-Y471 PolarHBondContact O-N 3.27Å; F464-V473 HydrophobicContact CD2-CG2 4.21Å; F464-V473 HydrophobicContact CE2-CG2 3.65Å; F464-F499 AromaticContact CD2-CE1 3.98Å; F464-F499 HydrophobicContact CD2-CE1 3.98Å; F464-F499 HydrophobicContact CE2-CE1 4.38Å; F464-I548 HydrophobicContact CB-CD1 3.48Å; F464-I548 VanDerWaalsContact CB-CD1 3.48Å; F464-I548 HydrophobicContact CB-CG1 3.8Å; F464-I548 HydrophobicContact CB-CG2 4.25Å; F464-I548 HydrophobicContact CD1-CG2 4.02Å; F464-I548 HydrophobicContact CD2-CG2 4.25Å; F464-I548 HydrophobicContact CE1-CG2 4.45Å; F464-I548 HydrophobicContact CG-CD1 4.29Å; F464-I548 HydrophobicContact CG-CG1 4.36Å; F464-I548 HydrophobicContact CG-CG2 3.91Å; F464-I552 HydrophobicContact CZ-CD1 4.1Å
465A97.1Very high96.1Very high75 Ų7578.3 Ų78.362%0.6245%0.445SS*.EExtended strand (participates in β ladder)trans-108130.1175.100000110H469 V470A465-H469 VanDerWaalsContact CA-O 3.32Å; A465-H469 WeakPolarHBondContact CA-O 3.49Å; A465-V470 HydrophobicContact CB-CG2 4.35Å
466V96.8Very high96.1Very high47 Ų4776 Ų7629%0.28543%0.43SS..EExtended strand (participates in β ladder)trans-135.8109.1171.3-179.50000108D468 H469 P544 A547 I548V466-D468 PolarHBondContact O-N 3.07Å; V466-H469 PolarHBondContact N-O 3.4Å; V466-H469 PolarHBondContact O-N 3.28Å; V466-P544 HydrophobicContact CB-CB 4.04Å; V466-P544 HydrophobicContact CG1-CB 4.16Å; V466-A547 HydrophobicContact CG1-CB 4.15Å; V466-A547 HydrophobicContact CG2-CB 4.35Å; V466-I548 HydrophobicContact CG2-CD1 4.16Å; V466-I548 HydrophobicContact CG2-CG1 3.68Å
467G93.9Very high96.1Very high73 Ų7373.6 Ų73.675%0.75342%0.416SS*.THydrogen-bonded Turntrans57.9-130.3-166.100000110.3H469G467-H469 VanDerWaalsContact C-N 3.33Å
468D90.7Very high96.3Very high167 Ų16765.8 Ų65.889%0.89338%0.384SS*.THydrogen-bonded Turntrans-85.6-3.7-179.8-57.2-40.3000113.7V466V466-D468 PolarHBondContact O-N 3.07Å
469H93.2Very high96.4Very high81 Ų8164 Ų6438%0.37537%0.367SS..EExtended strand (participates in β ladder)trans-90.4130.6-178.9-67-80.5000111.3A465 V466 G467 Y471 P544A465-H469 VanDerWaalsContact CA-O 3.32Å; A465-H469 WeakPolarHBondContact CA-O 3.49Å; V466-H469 PolarHBondContact N-O 3.4Å; V466-H469 PolarHBondContact O-N 3.28Å; G467-H469 VanDerWaalsContact C-N 3.33Å; H469-Y471 HydrophobicContact CB-CE2 3.8Å; H469-P544 HydrophobicContact CB-CB 4.27Å; H469-P544 HydrophobicContact CB-CG 4.48Å
470V97.1Very high96.4Very high87 Ų8767.6 Ų67.653%0.52738%0.384SS..EExtended strand (participates in β ladder)trans-120.3118.5176-1770000110.2K463 F464 A465K463-V470 HydrophobicContact CB-CG1 4.27Å; K463-V470 HydrophobicContact CD-CG1 4.42Å; F464-V470 CarbonylContact O-C 3.56Å; F464-V470 WeakPolarHBondContact O-CA 3.49Å; A465-V470 HydrophobicContact CB-CG2 4.35Å
471Y98.1Very high96.5Very high6 Ų665.5 Ų65.52%0.02437%0.367CS..EExtended strand (participates in β ladder)trans-104.5115.9177-62.6-85.4000109.5K463 F464 H469 F499 P544 L545 I548K463-Y471 CarbonylContact C-O 3.29Å; K463-Y471 VanDerWaalsContact CA-O 3.32Å; K463-Y471 WeakPolarHBondContact CA-O 3.02Å; F464-Y471 PolarHBondContact N-O 3.26Å; F464-Y471 PolarHBondContact O-N 3.27Å; H469-Y471 HydrophobicContact CB-CE2 3.8Å; Y471-F499 HydrophobicContact CD1-CD2 4.35Å; Y471-F499 HydrophobicContact CD1-CG 4.28Å; Y471-P544 HydrophobicContact CE2-CB 3.73Å; Y471-L545 HydrophobicContact CD1-CD2 3.58Å; Y471-L545 HydrophobicContact CD1-CG 4.27Å; Y471-L545 HydrophobicContact CD2-CD2 4.38Å; Y471-L545 HydrophobicContact CE1-CD1 4.13Å; Y471-L545 HydrophobicContact CE1-CD2 3.47Å; Y471-L545 VanDerWaalsContact CE1-CD2 3.47Å; Y471-L545 HydrophobicContact CE1-CG 3.64Å; Y471-L545 HydrophobicContact CE2-CD2 4.28Å; Y471-L545 HydrophobicContact CE2-CG 4.3Å; Y471-L545 HydrophobicContact CG-CD2 4.03Å; Y471-I548 HydrophobicContact CD2-CD1 3.36Å; Y471-I548 HydrophobicContact CE2-CD1 4.01Å; Y471-I548 HydrophobicContact CG-CD1 3.99Å
472S98.4Very high96.5Very high26 Ų2665.9 Ų65.918%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-97.6126176.3-55.30000109.2K463 E474 F499 T500K463-S472 WeakPolarHBondContact CE-OG 3.45Å; S472-E474 PolarHBondContact O-N 3.13Å; S472-F499 CarbonylContact O-C 3.59Å; S472-F499 WeakPolarHBondContact O-CA 3.29Å; S472-F499 WeakPolarHBondContact O-CB 3.12Å; S472-T500 PolarHBondContact O-N 2.69Å
473V98.3Very high96.4Very high8 Ų861.9 Ų61.95%0.04834%0.341CS..EExtended strand (participates in β ladder)trans-66.1130.8179.1-177.90000108.9F459 Q462 F464 I497 F499F459-V473 HydrophobicContact CD1-CG1 3.99Å; F459-V473 HydrophobicContact CD1-CG2 4.44Å; F459-V473 HydrophobicContact CE1-CG1 3.97Å; F459-V473 HydrophobicContact CE1-CG2 3.98Å; F459-V473 HydrophobicContact CZ-CG2 4.3Å; Q462-V473 HydrophobicContact CB-CG2 4.25Å; Q462-V473 PolarHBondContact O-N 2.93Å; F464-V473 HydrophobicContact CD2-CG2 4.21Å; F464-V473 HydrophobicContact CE2-CG2 3.65Å; V473-I497 HydrophobicContact CG1-CG2 4.23Å; V473-I497 HydrophobicContact CG2-CG2 4.22Å; V473-F499 HydrophobicContact CG2-CD1 4.28Å; V473-F499 HydrophobicContact CG2-CE1 4.01Å
474E97Very high96.2Very high120 Ų12057.6 Ų57.656%0.56133%0.328SS*.EExtended strand (participates in β ladder)trans-98.9-47.1171.3-177178.2-177.400110.2S472 I498 T500S472-E474 PolarHBondContact O-N 3.13Å; E474-I498 PolarHBondContact N-O 2.77Å; E474-T500 HydrophobicContact CB-CG2 3.84Å; E474-T500 HydrophobicContact CG-CG2 4.39Å
475K96.5Very high95.9Very high94 Ų9458.7 Ų58.741%0.40934%0.338SS..EExtended strand (participates in β ladder)trans-150.2142.9-178.1-173.3-176.9-178.9-1570109.6E477 I498K475-E477 VanDerWaalsContact CE-CD 3.46Å; K475-E477 WeakPolarHBondContact CE-OE2 3.45Å; K475-E477 IonicContact NZ-OE1 2.73Å; K475-E477 PolarHBondContact NZ-OE1 2.7Å; K475-E477 IonicContact NZ-OE2 3.85Å; K475-E477 PolarHBondContact NZ-OE2 2.83Å; K475-I498 HydrophobicContact CB-CB 4.36Å; K475-I498 HydrophobicContact CB-CD1 4.46Å; K475-I498 HydrophobicContact CD-CD1 4.45Å; K475-I498 PolarHBondContact N-O 2.92Å; K475-I498 PolarHBondContact O-N 2.81Å
476A97.6Very high95.5Very high25 Ų2558.3 Ų58.321%0.20733%0.326CS..EExtended strand (participates in β ladder)trans-135.7143.5164.700000110.5I454 F459 R496 I497I454-A476 HydrophobicContact CB-CB 3.91Å; I454-A476 HydrophobicContact CD1-CB 4.46Å; F459-A476 HydrophobicContact CD1-CB 3.59Å; F459-A476 HydrophobicContact CE1-CB 3.66Å; A476-R496 CarbonylContact C-O 3.55Å; A476-R496 WeakPolarHBondContact CA-O 3.42Å; A476-I497 HydrophobicContact CB-CG1 4.3Å
477E96.6Very high95.2Very high44 Ų4458.1 Ų58.121%0.20633%0.334CS..EExtended strand (participates in β ladder)trans-158.1161.4-176.167.9-167.415000111.8K475 R496K475-E477 VanDerWaalsContact CE-CD 3.46Å; K475-E477 WeakPolarHBondContact CE-OE2 3.45Å; K475-E477 IonicContact NZ-OE1 2.73Å; K475-E477 PolarHBondContact NZ-OE1 2.7Å; K475-E477 IonicContact NZ-OE2 3.85Å; K475-E477 PolarHBondContact NZ-OE2 2.83Å; E477-R496 PolarHBondContact N-O 3.46Å; E477-R496 PolarHBondContact O-N 3.11Å; E477-R496 IonicContact OE1-CZ 2.8Å; E477-R496 IonicContact OE1-NE 2.67Å; E477-R496 PolarHBondContact OE1-NE 2.89Å; E477-R496 IonicContact OE1-NH2 3.54Å; E477-R496 PolarHBondContact OE1-NH2 2.84Å
478N97.3Very high94.9Very high32 Ų3257.5 Ų57.517%0.17132%0.316CS..EExtended strand (participates in β ladder)trans-93.3112.6158.2-168.7-4.1000108.2E451 E480 N492 G494 L495E451-N478 VanDerWaalsContact CD-ND2 3.29Å; E451-N478 PolarHBondContact OE1-ND2 3.4Å; N478-E480 PolarHBondContact O-N 3.04Å; N478-N492 PolarHBondContact ND2-OD1 3Å; N478-N492 VanDerWaalsContact OD1-CA 3.29Å; N478-N492 WeakPolarHBondContact OD1-CA 3.36Å; N478-G494 PolarHBondContact OD1-O 2.9Å; N478-L495 HydrophobicContact CB-CD2 3.69Å
479F97.4Very high95Very high12 Ų1252.2 Ų52.25%0.05329%0.289CS..  trans-59.9126.2-169.3-174-110.2000111.6M340 E359 P361 Q493 G494M340-F479 HydrophobicContact CB-CD1 3.85Å; M340-F479 HydrophobicContact CB-CD2 4.46Å; M340-F479 HydrophobicContact CB-CE1 3.72Å; M340-F479 HydrophobicContact CB-CE2 4.32Å; M340-F479 HydrophobicContact CB-CG 4.25Å; M340-F479 HydrophobicContact CB-CZ 3.97Å; M340-F479 HydrophobicContact CE-CB 3.7Å; M340-F479 HydrophobicContact CE-CD1 4.15Å; M340-F479 HydrophobicContact CE-CG 4Å; M340-F479 HydrophobicContact CG-CB 4.33Å; M340-F479 HydrophobicContact CG-CD1 3.84Å; M340-F479 HydrophobicContact CG-CD2 3.72Å; M340-F479 HydrophobicContact CG-CE1 4.04Å; M340-F479 HydrophobicContact CG-CE2 3.89Å; M340-F479 HydrophobicContact CG-CG 3.7Å; M340-F479 HydrophobicContact CG-CZ 4.06Å; E359-F479 HydrophobicContact CG-CE2 4.32Å; E359-F479 HydrophobicContact CG-CZ 4.06Å; P361-F479 HydrophobicContact CG-CE1 4.21Å; F479-Q493 HydrophobicContact CB-CB 4.46Å; F479-Q493 HydrophobicContact CD1-CB 3.84Å; F479-Q493 WeakPolarHBondContact O-CB 3.36Å; F479-Q493 PolarHBondContact O-N 2.91Å; F479-Q493 VanDerWaalsContact O-N 3.08Å; F479-G494 WeakPolarHBondContact CB-O 3.49Å; F479-G494 PolarHBondContact N-O 2.82Å
480E96.6Very high94.9Very high86 Ų8648.8 Ų48.840%0.40228%0.275SS..  trans-117.9138.8172.3-179.5177.910700108.7N478 V489 A490 R491N478-E480 PolarHBondContact O-N 3.04Å; E480-V489 HydrophobicContact CG-CG1 3.76Å; E480-A490 WeakPolarHBondContact CA-O 3.45Å; E480-R491 HydrophobicContact CG-CG 4.1Å; E480-R491 WeakPolarHBondContact OE2-CD 3.48Å; E480-R491 VanDerWaalsContact OE2-CG 3.28Å; E480-R491 WeakPolarHBondContact OE2-CG 3.4Å; E480-R491 IonicContact OE2-CZ 3.17Å; E480-R491 IonicContact OE2-NE 2.77Å; E480-R491 PolarHBondContact OE2-NE 2.66Å; E480-R491 IonicContact OE2-NH2 2.89Å
481Y95.8Very high94.7Very high19 Ų1951.4 Ų51.48%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-124.8130.9175.7175.4-100.2000109.9E359 T360 P361 Y366 D483 P484 V489 A490E359-Y481 WeakPolarHBondContact O-CD2 3.34Å; T360-Y481 HydrophobicContact CG2-CE2 4.12Å; P361-Y481 VanDerWaalsContact CD-CG 3.45Å; P361-Y481 HydrophobicContact CG-CD1 4.07Å; P361-Y481 HydrophobicContact CG-CG 3.92Å; Y366-Y481 AromaticContact CD1-CD1 3.98Å; Y366-Y481 HydrophobicContact CD1-CD1 3.98Å; Y366-Y481 AromaticContact CD1-CE1 3.82Å; Y366-Y481 HydrophobicContact CD1-CE1 3.82Å; Y366-Y481 HydrophobicContact CE1-CD1 4.25Å; Y366-Y481 HydrophobicContact CE1-CE1 4.49Å; Y481-D483 HydrophobicContact CD1-CB 4.45Å; Y481-D483 VanDerWaalsContact CE1-CA 3.44Å; Y481-D483 HydrophobicContact CE1-CB 3.75Å; Y481-P484 WeakPolarHBondContact OH-CD 3.36Å; Y481-V489 CarbonylContact O-C 3.58Å; Y481-V489 WeakPolarHBondContact O-CA 3.3Å; Y481-A490 PolarHBondContact N-O 2.84Å; Y481-A490 PolarHBondContact O-N 3.13Å
482I96.2Very high94.5Very high103 Ų10356.8 Ų56.853%0.52831%0.305SS..EExtended strand (participates in β ladder)trans-107.1116.1170.6-54.9175.9000106.4V489I482-V489 HydrophobicContact CG1-CG1 4.31Å; I482-V489 HydrophobicContact CG1-CG2 4.21Å; I482-V489 HydrophobicContact CG2-CG2 4.47Å
483D93.8Very high94.2Very high5 Ų557.3 Ų57.33%0.02730%0.304CS..  trans-65123.8-179.1-168.1-64.6000110.6N369 Y481 V485 D486 G487 T488N369-D483 VanDerWaalsContact ND2-CG 3.33Å; N369-D483 PolarHBondContact ND2-OD2 2.89Å; Y481-D483 HydrophobicContact CD1-CB 4.45Å; Y481-D483 VanDerWaalsContact CE1-CA 3.44Å; Y481-D483 HydrophobicContact CE1-CB 3.75Å; D483-V485 PolarHBondContact O-N 2.8Å; D483-V485 WeakPolarHBondContact OD1-CA 3.35Å; D483-V485 VanDerWaalsContact OD1-CB 3.26Å; D483-V485 WeakPolarHBondContact OD1-CB 3.18Å; D483-V485 PolarHBondContact OD1-N 2.89Å; D483-D486 VanDerWaalsContact CB-OD1 3.29Å; D483-D486 WeakPolarHBondContact CB-OD1 3.43Å; D483-D486 PolarHBondContact OD1-N 2.83Å; D483-G487 VanDerWaalsContact O-CA 3.26Å; D483-G487 WeakPolarHBondContact O-CA 3.24Å; D483-G487 PolarHBondContact O-N 3.38Å; D483-T488 PolarHBondContact N-O 3.16Å
484P94.8Very high94.1Very high54 Ų5457.1 Ų57.135%0.35130%0.303SS..THydrogen-bonded Turntrans-77.72.2-17533.7-37000113.7Y358 L370 Y481Y358-P484 HydrophobicContact CE1-CG 4.47Å; L370-P484 HydrophobicContact CD2-CG 3.57Å; Y481-P484 WeakPolarHBondContact OH-CD 3.36Å
485V91.4Very high94.2Very high68 Ų6851.5 Ų51.541%0.41228%0.277SS..THydrogen-bonded Turntrans-108.2-52.1-179.5-174.10000110.7N369 S373 D483N369-V485 HydrophobicContact CB-CB 4.25Å; N369-V485 HydrophobicContact CB-CG2 4.16Å; N369-V485 WeakPolarHBondContact O-CG2 3.42Å; S373-V485 VanDerWaalsContact OG-CG2 3.26Å; S373-V485 WeakPolarHBondContact OG-CG2 3.38Å; D483-V485 PolarHBondContact O-N 2.8Å; D483-V485 WeakPolarHBondContact OD1-CA 3.35Å; D483-V485 VanDerWaalsContact OD1-CB 3.26Å; D483-V485 WeakPolarHBondContact OD1-CB 3.18Å; D483-V485 PolarHBondContact OD1-N 2.89Å
486D88.3Confident94.3Very high67 Ų6747.7 Ų47.736%0.35826%0.26SS..THydrogen-bonded Turntrans-110.8-6.4-175.46727.9000114.6N369 D483 T488N369-D486 PolarHBondContact ND2-OD2 3.43Å; D483-D486 VanDerWaalsContact CB-OD1 3.29Å; D483-D486 WeakPolarHBondContact CB-OD1 3.43Å; D483-D486 PolarHBondContact OD1-N 2.83Å; D486-T488 VanDerWaalsContact C-N 3.25Å; D486-T488 VanDerWaalsContact CG-OG1 3.25Å; D486-T488 PolarHBondContact O-N 2.93Å; D486-T488 WeakPolarHBondContact OD1-CB 3.38Å; D486-T488 PolarHBondContact OD1-N 2.82Å; D486-T488 PolarHBondContact OD1-OG1 2.85Å
487G90.6Very high94.3Very high44 Ų4446.5 Ų46.545%0.45425%0.251SS..  trans765.8178.700000114.8D483 V489D483-G487 VanDerWaalsContact O-CA 3.26Å; D483-G487 WeakPolarHBondContact O-CA 3.24Å; D483-G487 PolarHBondContact O-N 3.38Å; G487-V489 PolarHBondContact O-N 2.97Å
488T87.7Confident94.4Very high60 Ų6046 Ų4637%0.36825%0.249SC..  trans-62.3135178.4-55.70000110.5D483 D486D483-T488 PolarHBondContact N-O 3.16Å; D486-T488 VanDerWaalsContact C-N 3.25Å; D486-T488 VanDerWaalsContact CG-OG1 3.25Å; D486-T488 PolarHBondContact O-N 2.93Å; D486-T488 WeakPolarHBondContact OD1-CB 3.38Å; D486-T488 PolarHBondContact OD1-N 2.82Å; D486-T488 PolarHBondContact OD1-OG1 2.85Å
489V92.1Very high94.4Very high55 Ų5544.4 Ų44.433%0.33324%0.241SC..EExtended strand (participates in β ladder)trans-105.2115.4-179.7-171.20000110.6E480 Y481 I482 G487 R491E480-V489 HydrophobicContact CG-CG1 3.76Å; Y481-V489 CarbonylContact O-C 3.58Å; Y481-V489 WeakPolarHBondContact O-CA 3.3Å; I482-V489 HydrophobicContact CG1-CG1 4.31Å; I482-V489 HydrophobicContact CG1-CG2 4.21Å; I482-V489 HydrophobicContact CG2-CG2 4.47Å; G487-V489 PolarHBondContact O-N 2.97Å; V489-R491 HydrophobicContact CG1-CG 4.03Å
490A91.1Very high94.4Very high10 Ų1048 Ų488%0.08326%0.263CS..EExtended strand (participates in β ladder)trans-101.4106.117400000110.2P361 Y366 E480 Y481 Q493P361-A490 HydrophobicContact CG-CB 4.07Å; Y366-A490 HydrophobicContact CE1-CB 4.04Å; E480-A490 WeakPolarHBondContact CA-O 3.45Å; Y481-A490 PolarHBondContact N-O 2.84Å; Y481-A490 PolarHBondContact O-N 3.13Å; A490-Q493 HydrophobicContact CB-CG 3.95Å; A490-Q493 WeakPolarHBondContact O-CG 3.29Å
491R93.3Very high94.3Very high142 Ų14247 Ų4754%0.53626%0.261SS..  trans-94.9166.2177.3-58.8-166.1168.188.26.1112E480 V489 Q493E480-R491 HydrophobicContact CG-CG 4.1Å; E480-R491 WeakPolarHBondContact OE2-CD 3.48Å; E480-R491 VanDerWaalsContact OE2-CG 3.28Å; E480-R491 WeakPolarHBondContact OE2-CG 3.4Å; E480-R491 IonicContact OE2-CZ 3.17Å; E480-R491 IonicContact OE2-NE 2.77Å; E480-R491 PolarHBondContact OE2-NE 2.66Å; E480-R491 IonicContact OE2-NH2 2.89Å; V489-R491 HydrophobicContact CG1-CG 4.03Å; R491-Q493 VanDerWaalsContact C-N 3.27Å; R491-Q493 PolarHBondContact O-N 2.94Å; R491-Q493 PolarHBondContact O-NE2 2.86Å
492N92.9Very high94.3Very high119 Ų11948.4 Ų48.464%0.63627%0.274SS*.  trans59.635.7172.6-53.2-34.1000113.4N478 G494N478-N492 PolarHBondContact ND2-OD1 3Å; N478-N492 VanDerWaalsContact OD1-CA 3.29Å; N478-N492 WeakPolarHBondContact OD1-CA 3.36Å; N492-G494 VanDerWaalsContact C-N 3.33Å
493Q93.9Very high94.3Very high37 Ų3743.5 Ų43.517%0.17325%0.249CC..  trans-86.4-7.5-171.1-65.2-57.9-55.200113.5P361 F479 A490 R491 R508P361-Q493 HydrophobicContact CB-CB 3.96Å; P361-Q493 HydrophobicContact CB-CG 3.72Å; P361-Q493 VanDerWaalsContact CB-OE1 3.28Å; P361-Q493 HydrophobicContact CG-CB 4.34Å; P361-Q493 HydrophobicContact CG-CG 3.81Å; F479-Q493 HydrophobicContact CB-CB 4.46Å; F479-Q493 HydrophobicContact CD1-CB 3.84Å; F479-Q493 WeakPolarHBondContact O-CB 3.36Å; F479-Q493 PolarHBondContact O-N 2.91Å; F479-Q493 VanDerWaalsContact O-N 3.08Å; A490-Q493 HydrophobicContact CB-CG 3.95Å; A490-Q493 WeakPolarHBondContact O-CG 3.29Å; R491-Q493 VanDerWaalsContact C-N 3.27Å; R491-Q493 PolarHBondContact O-N 2.94Å; R491-Q493 PolarHBondContact O-NE2 2.86Å; Q493-R508 PolarHBondContact O-NE 3.34Å
494G95.8Very high94.6Very high3 Ų344.2 Ų44.23%0.03125%0.251CS..  trans154.9141.3173.100000111.9N478 F479 N492 F507N478-G494 PolarHBondContact OD1-O 2.9Å; F479-G494 WeakPolarHBondContact CB-O 3.49Å; F479-G494 PolarHBondContact N-O 2.82Å; N492-G494 VanDerWaalsContact C-N 3.33Å; G494-F507 WeakPolarHBondContact CA-O 3.42Å
495L98.4Very high94.8Very high2 Ų241.7 Ų41.71%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-79.9129.5174.8-55.6179.9000108.6M447 L450 E451 I454 N478 V506 F507M447-L495 HydrophobicContact CE-CD1 3.72Å; M447-L495 HydrophobicContact CE-CG 3.7Å; M447-L495 WeakPolarHBondContact O-CD1 3.42Å; M447-L495 HydrophobicContact SD-CD1 4.2Å; L450-L495 HydrophobicContact CB-CD1 3.98Å; L450-L495 HydrophobicContact CD2-CD1 3.95Å; L450-L495 HydrophobicContact CG-CD1 3.84Å; E451-L495 HydrophobicContact CB-CD1 3.99Å; E451-L495 HydrophobicContact CB-CD2 3.74Å; E451-L495 HydrophobicContact CG-CD2 3.84Å; I454-L495 HydrophobicContact CD1-CB 3.78Å; I454-L495 HydrophobicContact CD1-CD2 4.09Å; I454-L495 HydrophobicContact CD1-CG 4.35Å; N478-L495 HydrophobicContact CB-CD2 3.69Å; L495-V506 CarbonylContact O-C 3.55Å; L495-V506 VanDerWaalsContact O-CA 3.29Å; L495-V506 WeakPolarHBondContact O-CA 3.34Å; L495-F507 HydrophobicContact CB-CB 4.28Å; L495-F507 PolarHBondContact N-O 3.27Å; L495-F507 PolarHBondContact O-N 3.46Å
496R97.8Very high95.1Very high14 Ų1438.6 Ų38.65%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-129.4134.5-175.8177.7167.166177.22.2110.7M340 E359 A476 E477 I498 L505 V506M340-R496 HydrophobicContact SD-CB 4.33Å; E359-R496 IonicContact OE1-NH1 2.68Å; E359-R496 PolarHBondContact OE1-NH1 3.08Å; E359-R496 IonicContact OE2-CZ 2.72Å; E359-R496 IonicContact OE2-NH1 2.86Å; E359-R496 PolarHBondContact OE2-NH1 2.88Å; E359-R496 IonicContact OE2-NH2 3.61Å; E359-R496 PolarHBondContact OE2-NH2 3.23Å; A476-R496 CarbonylContact C-O 3.55Å; A476-R496 WeakPolarHBondContact CA-O 3.42Å; E477-R496 PolarHBondContact N-O 3.46Å; E477-R496 PolarHBondContact O-N 3.11Å; E477-R496 IonicContact OE1-CZ 2.8Å; E477-R496 IonicContact OE1-NE 2.67Å; E477-R496 PolarHBondContact OE1-NE 2.89Å; E477-R496 IonicContact OE1-NH2 3.54Å; E477-R496 PolarHBondContact OE1-NH2 2.84Å; R496-I498 HydrophobicContact CG-CD1 4.4Å; R496-I498 HydrophobicContact CG-CG1 3.88Å; R496-L505 WeakPolarHBondContact CA-O 3.19Å; R496-V506 HydrophobicContact CB-CG2 4.34Å; R496-V506 HydrophobicContact CG-CG2 4.07Å
497I98.6Very high95.6Very high1 Ų135.4 Ų35.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-119.6121.2170.4-52.9168.5000106.9I454 F459 V473 A476 F499 R504 L505 F507 I552I454-I497 HydrophobicContact CG2-CD1 3.9Å; I454-I497 HydrophobicContact CG2-CG1 4.01Å; F459-I497 HydrophobicContact CE1-CD1 4.23Å; F459-I497 HydrophobicContact CE1-CG1 4.14Å; F459-I497 HydrophobicContact CE1-CG2 4.06Å; F459-I497 HydrophobicContact CZ-CD1 3.99Å; F459-I497 HydrophobicContact CZ-CG1 4.41Å; V473-I497 HydrophobicContact CG1-CG2 4.23Å; V473-I497 HydrophobicContact CG2-CG2 4.22Å; A476-I497 HydrophobicContact CB-CG1 4.3Å; I497-F499 HydrophobicContact CB-CZ 4.44Å; I497-F499 HydrophobicContact CG2-CD1 4.39Å; I497-F499 HydrophobicContact CG2-CE1 3.81Å; I497-F499 HydrophobicContact CG2-CE2 4.07Å; I497-F499 HydrophobicContact CG2-CZ 3.63Å; I497-R504 WeakPolarHBondContact O-CA 3.28Å; I497-L505 HydrophobicContact CB-CB 4.38Å; I497-L505 PolarHBondContact N-O 3.05Å; I497-L505 PolarHBondContact O-N 2.89Å; I497-F507 HydrophobicContact CD1-CE2 4.16Å; I497-I552 HydrophobicContact CD1-CD1 4.18Å
498I98.3Very high95.8Very high32 Ų3234.6 Ų34.616%0.16418%0.182CC..EExtended strand (participates in β ladder)trans-108.2131.7177.1-57.6172.5000107.2E474 K475 R496 R504E474-I498 PolarHBondContact N-O 2.77Å; K475-I498 HydrophobicContact CB-CB 4.36Å; K475-I498 HydrophobicContact CB-CD1 4.46Å; K475-I498 HydrophobicContact CD-CD1 4.45Å; K475-I498 PolarHBondContact N-O 2.92Å; K475-I498 PolarHBondContact O-N 2.81Å; R496-I498 HydrophobicContact CG-CD1 4.4Å; R496-I498 HydrophobicContact CG-CG1 3.88Å; I498-R504 HydrophobicContact CG1-CG 4.39Å
499F98.5Very high95.9Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-105.6153.1177.9-57.7-77.5000111F464 Y471 S472 V473 I497 D501 S502 S503 L505 L545F464-F499 AromaticContact CD2-CE1 3.98Å; F464-F499 HydrophobicContact CD2-CE1 3.98Å; F464-F499 HydrophobicContact CE2-CE1 4.38Å; Y471-F499 HydrophobicContact CD1-CD2 4.35Å; Y471-F499 HydrophobicContact CD1-CG 4.28Å; S472-F499 CarbonylContact O-C 3.59Å; S472-F499 WeakPolarHBondContact O-CA 3.29Å; S472-F499 WeakPolarHBondContact O-CB 3.12Å; V473-F499 HydrophobicContact CG2-CD1 4.28Å; V473-F499 HydrophobicContact CG2-CE1 4.01Å; I497-F499 HydrophobicContact CB-CZ 4.44Å; I497-F499 HydrophobicContact CG2-CD1 4.39Å; I497-F499 HydrophobicContact CG2-CE1 3.81Å; I497-F499 HydrophobicContact CG2-CE2 4.07Å; I497-F499 HydrophobicContact CG2-CZ 3.63Å; F499-D501 VanDerWaalsContact CB-OD1 3.23Å; F499-D501 WeakPolarHBondContact CB-OD1 3.33Å; F499-D501 PolarHBondContact O-N 3.33Å; F499-D501 VanDerWaalsContact O-N 3.1Å; F499-S502 PolarHBondContact O-N 2.83Å; F499-S502 VanDerWaalsContact O-N 3.11Å; F499-S503 PolarHBondContact N-O 3Å; F499-L505 HydrophobicContact CE2-CB 4.44Å; F499-L505 HydrophobicContact CE2-CD1 4.06Å; F499-L505 HydrophobicContact CE2-CG 4.05Å; F499-L505 HydrophobicContact CZ-CD1 4.12Å; F499-L545 HydrophobicContact CD2-CD2 3.88Å; F499-L545 HydrophobicContact CE2-CD2 3.54Å; F499-L545 HydrophobicContact CZ-CD2 4.29Å
500T97.3Very high95.2Very high87 Ų8733.4 Ų33.453%0.53417%0.172SC..THydrogen-bonded Turntrans-63.8-18.4-174.2560000114.4S472 E474 S502S472-T500 PolarHBondContact O-N 2.69Å; E474-T500 HydrophobicContact CB-CG2 3.84Å; E474-T500 HydrophobicContact CG-CG2 4.39Å; T500-S502 PolarHBondContact O-N 3.48Å
501D94.5Very high93.8Very high64 Ų6436.2 Ų36.234%0.34220%0.202SC..THydrogen-bonded Turntrans-86.812.9178.270.1-27.9000112.9F499 S503F499-D501 VanDerWaalsContact CB-OD1 3.23Å; F499-D501 WeakPolarHBondContact CB-OD1 3.33Å; F499-D501 PolarHBondContact O-N 3.33Å; F499-D501 VanDerWaalsContact O-N 3.1Å; D501-S503 VanDerWaalsContact CG-OG 3.25Å; D501-S503 PolarHBondContact O-N 2.84Å; D501-S503 WeakPolarHBondContact OD1-CB 3.39Å; D501-S503 PolarHBondContact OD1-N 2.74Å; D501-S503 VanDerWaalsContact OD1-N 3.08Å; D501-S503 PolarHBondContact OD1-OG 2.64Å; D501-S503 PolarHBondContact OD2-OG 2.9Å
502S94.3Very high91.8Very high50 Ų5031 Ų3135%0.3519%0.187SC..SBendtrans66.120.2-171.6-55.50000114.5R348 F499 T500R348-S502 PolarHBondContact NH2-OG 2.93Å; F499-S502 PolarHBondContact O-N 2.83Å; F499-S502 VanDerWaalsContact O-N 3.11Å; T500-S502 PolarHBondContact O-N 3.48Å
503S98Very high89.7Confident0 Ų026.8 Ų26.80%017%0.172CC..  trans-85.6154167.3-61.50000111.6F499 D501 E525 S526F499-S503 PolarHBondContact N-O 3Å; D501-S503 VanDerWaalsContact CG-OG 3.25Å; D501-S503 PolarHBondContact O-N 2.84Å; D501-S503 WeakPolarHBondContact OD1-CB 3.39Å; D501-S503 PolarHBondContact OD1-N 2.74Å; D501-S503 VanDerWaalsContact OD1-N 3.08Å; D501-S503 PolarHBondContact OD1-OG 2.64Å; D501-S503 PolarHBondContact OD2-OG 2.9Å; S503-E525 CarbonylContact C-O 3.54Å; S503-E525 WeakPolarHBondContact CA-O 3.47Å; S503-E525 WeakPolarHBondContact CB-O 3.34Å; S503-S526 PolarHBondContact OG-OG 3.07Å; S503-S526 VanDerWaalsContact OG-OG 3.13Å
504R98.4Very high87.3Confident20 Ų2025.4 Ų25.48%0.07517%0.168CC..EExtended strand (participates in β ladder)trans-141.2145.4179.5-54.8-170.7-61.9162.57.7112.2T342 E359 I497 I498 E525T342-R504 PolarHBondContact O-NH2 3.45Å; E359-R504 IonicContact OE1-NH1 2.67Å; E359-R504 PolarHBondContact OE1-NH1 2.72Å; I497-R504 WeakPolarHBondContact O-CA 3.28Å; I498-R504 HydrophobicContact CG1-CG 4.39Å; R504-E525 HydrophobicContact CB-CB 4.31Å; R504-E525 IonicContact CZ-OE2 3.33Å; R504-E525 PolarHBondContact N-O 3.12Å; R504-E525 IonicContact NE-OE2 2.9Å; R504-E525 PolarHBondContact NE-OE2 2.94Å; R504-E525 IonicContact NH2-OE2 2.64Å; R504-E525 PolarHBondContact NH2-OE2 3.43Å; R504-E525 PolarHBondContact O-N 3.48Å
505L98.8Very high85.3Confident0 Ų027.7 Ų27.70%019%0.192CC..EExtended strand (participates in β ladder)trans-119.8134.7163-75.6173.2000109.5R496 I497 F499 F507 Y523 A524 L545 I548 A549R496-L505 WeakPolarHBondContact CA-O 3.19Å; I497-L505 HydrophobicContact CB-CB 4.38Å; I497-L505 PolarHBondContact N-O 3.05Å; I497-L505 PolarHBondContact O-N 2.89Å; F499-L505 HydrophobicContact CE2-CB 4.44Å; F499-L505 HydrophobicContact CE2-CD1 4.06Å; F499-L505 HydrophobicContact CE2-CG 4.05Å; F499-L505 HydrophobicContact CZ-CD1 4.12Å; L505-F507 HydrophobicContact CB-CE2 4.07Å; L505-Y523 WeakPolarHBondContact CA-O 3.39Å; L505-A524 HydrophobicContact CD2-CB 3.83Å; L505-L545 HydrophobicContact CD2-CB 4.16Å; L505-L545 HydrophobicContact CG-CD2 4.3Å; L505-I548 HydrophobicContact CD1-CB 4.3Å; L505-I548 HydrophobicContact CD1-CG2 4.03Å; L505-A549 HydrophobicContact CD1-CB 3.81Å; L505-A549 HydrophobicContact CD2-CB 3.72Å; L505-A549 HydrophobicContact CG-CB 4.36Å
506V98.6Very high83.4Confident4 Ų434.6 Ų34.62%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-129139.2176-178.50000109.4M340 A341 L495 R496 R508 I522 Y523M340-V506 HydrophobicContact CE-CG1 3.75Å; M340-V506 HydrophobicContact SD-CB 4.5Å; M340-V506 HydrophobicContact SD-CG1 3.7Å; M340-V506 HydrophobicContact SD-CG2 3.9Å; A341-V506 HydrophobicContact CB-CG1 4.42Å; L495-V506 CarbonylContact O-C 3.55Å; L495-V506 VanDerWaalsContact O-CA 3.29Å; L495-V506 WeakPolarHBondContact O-CA 3.34Å; R496-V506 HydrophobicContact CB-CG2 4.34Å; R496-V506 HydrophobicContact CG-CG2 4.07Å; V506-R508 HydrophobicContact CG1-CG 3.98Å; V506-I522 CarbonylContact O-C 3.51Å; V506-I522 WeakPolarHBondContact O-CA 3.31Å; V506-Y523 HydrophobicContact CB-CD2 3.75Å; V506-Y523 HydrophobicContact CB-CG 4.3Å; V506-Y523 HydrophobicContact CG1-CD2 3.83Å; V506-Y523 HydrophobicContact CG1-CE2 4.28Å; V506-Y523 PolarHBondContact N-O 2.94Å; V506-Y523 WeakPolarHBondContact O-CD2 3.44Å; V506-Y523 PolarHBondContact O-N 3.31Å
507F98.3Very high82.2Confident0 Ų035 Ų350%024%0.243CC..EExtended strand (participates in β ladder)trans-124.6127.2175.9-53.8-102.6000109M447 L450 G494 L495 I497 L505 R521 I522 A549 I552M447-F507 HydrophobicContact CE-CB 4.39Å; M447-F507 HydrophobicContact SD-CB 4.1Å; L450-F507 HydrophobicContact CD2-CB 4.1Å; L450-F507 HydrophobicContact CD2-CD1 3.69Å; L450-F507 HydrophobicContact CD2-CD2 3.71Å; L450-F507 HydrophobicContact CD2-CE1 3.98Å; L450-F507 HydrophobicContact CD2-CE2 4Å; L450-F507 HydrophobicContact CD2-CG 3.56Å; L450-F507 HydrophobicContact CD2-CZ 4.12Å; G494-F507 WeakPolarHBondContact CA-O 3.42Å; L495-F507 HydrophobicContact CB-CB 4.28Å; L495-F507 PolarHBondContact N-O 3.27Å; L495-F507 PolarHBondContact O-N 3.46Å; I497-F507 HydrophobicContact CD1-CE2 4.16Å; L505-F507 HydrophobicContact CB-CE2 4.07Å; F507-R521 WeakPolarHBondContact CA-O 3.31Å; F507-I522 HydrophobicContact CD1-CD1 4.12Å; F507-I522 HydrophobicContact CD1-CG1 3.82Å; F507-I522 HydrophobicContact CD1-CG2 4.25Å; F507-I522 HydrophobicContact CE1-CD1 3.99Å; F507-I522 HydrophobicContact CE1-CG1 4.1Å; F507-I522 HydrophobicContact CE1-CG2 4.01Å; F507-A549 HydrophobicContact CE1-CB 3.96Å; F507-A549 HydrophobicContact CZ-CB 3.73Å; F507-I552 HydrophobicContact CZ-CG2 4.09Å
508R95.3Very high81.6Confident26 Ų2635.6 Ų35.610%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-136.3141.6-179.7-65.2-173.565.4-118-7.6112.1T362 Q493 V506 M520 R521 Y523T362-R508 VanDerWaalsContact CB-CZ 3.41Å; T362-R508 VanDerWaalsContact OG1-CZ 3.27Å; T362-R508 PolarHBondContact OG1-NH1 3.49Å; Q493-R508 PolarHBondContact O-NE 3.34Å; V506-R508 HydrophobicContact CG1-CG 3.98Å; R508-M520 CarbonylContact O-C 3.59Å; R508-M520 WeakPolarHBondContact O-CA 3.26Å; R508-R521 PolarHBondContact N-O 2.81Å; R508-R521 PolarHBondContact O-N 3.17Å; R508-Y523 HydrophobicContact CB-CE2 3.98Å; R508-Y523 HydrophobicContact CG-CE2 3.88Å
509M89.5Confident81.3Confident65 Ų6534.8 Ų34.832%0.3224%0.244SC..EExtended strand (participates in β ladder)trans-88.4126163.8-71.3-70.1-68.900109.1A443 M447 A518 M520A443-M509 HydrophobicContact CB-CE 3.59Å; A443-M509 HydrophobicContact CB-SD 3.82Å; M447-M509 HydrophobicContact CE-CG 4.24Å; M447-M509 HydrophobicContact CG-CG 3.49Å; M447-M509 VanDerWaalsContact CG-CG 3.49Å; M447-M509 HydrophobicContact CG-SD 3.95Å; M447-M509 HydrophobicContact SD-CG 4.15Å; M509-A518 HydrophobicContact CE-CB 3.58Å; M509-M520 HydrophobicContact SD-CB 4.07Å; M509-M520 HydrophobicContact SD-CG 4.18Å
510S76.9Confident81.1Confident25 Ų2534.8 Ų34.818%0.17524%0.244CC..EExtended strand (participates in β ladder)trans-92.8133.2173-171.80000110.8S512 T519S510-S512 PolarHBondContact OG-N 3.5Å; S510-S512 PolarHBondContact OG-OG 3.01Å; S510-T519 PolarHBondContact N-O 2.91Å
511G61.8Low81Confident69 Ų6931.5 Ų31.571%0.71122%0.222SC*.  trans-916.8170.500000114.2
512S52.1Low81.2Confident32 Ų3228.6 Ų28.622%0.22421%0.207CC..  trans-87.74.8-172.367.70000115.5S510 G514S510-S512 PolarHBondContact OG-N 3.5Å; S510-S512 PolarHBondContact OG-OG 3.01Å; S512-G514 PolarHBondContact O-N 2.87Å
513G48.9Very low81.4Confident32 Ų3226.3 Ų26.333%0.3319%0.19SC..  trans-71.8118.8179.900000111.6G515G513-G515 PolarHBondContact O-N 2.87Å; G513-G515 VanDerWaalsContact O-N 3.11Å
514G43Very low81.4Confident8 Ų826.3 Ų26.38%0.08219%0.19CC..SBendtrans-69.45.2171.500000114.5S512S512-G514 PolarHBondContact O-N 2.87Å
515G54.3Low81.5Confident51 Ų5125.5 Ų25.553%0.52619%0.187SC..SBendtrans-121.5179.3-179.100000113.4G513 G517G513-G515 PolarHBondContact O-N 2.87Å; G513-G515 VanDerWaalsContact O-N 3.11Å; G515-G517 VanDerWaalsContact C-N 3.26Å; G515-G517 PolarHBondContact O-N 3.08Å
516T58.4Low81.4Confident146 Ų14626.1 Ų26.190%0.89619%0.192SC*.SBendtrans-74.9-7-176.448.90000114.9P440P440-T516 WeakPolarHBondContact CG-O 3.45Å
517G73.3Confident81.4Confident24 Ų2427.9 Ų27.925%0.24720%0.199CC..SBendtrans-99150-177.300000113.7L438 G515L438-G517 CarbonylContact O-C 3.47Å; L438-G517 VanDerWaalsContact O-CA 3.3Å; L438-G517 WeakPolarHBondContact O-CA 3.36Å; G515-G517 VanDerWaalsContact C-N 3.26Å; G515-G517 PolarHBondContact O-N 3.08Å
518A85.8Confident81.4Confident13 Ų1329.5 Ų29.511%0.10721%0.207CC..EExtended strand (participates in β ladder)trans-77.1155.4172.500000111.6G437 L438 P440 A443 M509G437-A518 PolarHBondContact N-O 2.61Å; G437-A518 VanDerWaalsContact N-O 3.16Å; L438-A518 HydrophobicContact CB-CB 4.46Å; L438-A518 WeakPolarHBondContact CB-O 3.45Å; L438-A518 PolarHBondContact N-O 2.82Å; L438-A518 PolarHBondContact O-N 3.37Å; P440-A518 HydrophobicContact CB-CB 4.37Å; P440-A518 HydrophobicContact CG-CB 4.49Å; A443-A518 HydrophobicContact CB-CB 3.89Å; M509-A518 HydrophobicContact CE-CB 3.58Å
519T90.8Very high81.5Confident15 Ų1538 Ų389%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-121.3126.4169.6-61.60000109.4Y435 E436 S510 R521Y435-T519 CarbonylContact O-C 3.56Å; Y435-T519 VanDerWaalsContact O-CA 3.29Å; Y435-T519 WeakPolarHBondContact O-CA 3.5Å; E436-T519 HydrophobicContact CG-CG2 4.01Å; S510-T519 PolarHBondContact N-O 2.91Å; T519-R521 HydrophobicContact CG2-CG 4.31Å
520M94.1Very high81.9Confident0 Ų037.9 Ų37.90%024%0.239CC..EExtended strand (participates in β ladder)trans-109.4135.3173.5-166.4172.368.100110.1Y435 L438 L446 M447 R508 M509 I555Y435-M520 PolarHBondContact N-O 3.39Å; Y435-M520 PolarHBondContact O-N 3.39Å; L438-M520 HydrophobicContact CD1-CB 3.85Å; L446-M520 HydrophobicContact CD1-CE 3.6Å; L446-M520 HydrophobicContact CD1-SD 4.09Å; L446-M520 HydrophobicContact CD2-CE 3.81Å; L446-M520 HydrophobicContact CD2-SD 3.47Å; L446-M520 WeakPolarHBondContact CD2-SD 3.42Å; L446-M520 HydrophobicContact CG-CE 4.38Å; L446-M520 HydrophobicContact CG-SD 4.37Å; M447-M520 HydrophobicContact CG-SD 4.23Å; M447-M520 HydrophobicContact SD-CG 4.42Å; M447-M520 HydrophobicContact SD-SD 3.78Å; R508-M520 CarbonylContact O-C 3.59Å; R508-M520 WeakPolarHBondContact O-CA 3.26Å; M509-M520 HydrophobicContact SD-CB 4.07Å; M509-M520 HydrophobicContact SD-CG 4.18Å; M520-I555 HydrophobicContact CE-CB 4.04Å; M520-I555 HydrophobicContact CE-CD1 3.04Å; M520-I555 HydrophobicContact CE-CG1 3.4Å; M520-I555 VanDerWaalsContact CE-CG1 3.4Å
521R96.5Very high82.8Confident18 Ų1839.8 Ų39.87%0.06825%0.251CS..EExtended strand (participates in β ladder)trans-118.2130.6-179.3-54.5-168.6169.7-174.7-5.3109.9F433 D434 F507 R508 T519 Y523F433-R521 WeakPolarHBondContact O-CA 3.36Å; D434-R521 VanDerWaalsContact OD1-CD 3.3Å; D434-R521 WeakPolarHBondContact OD1-CD 3.38Å; D434-R521 WeakPolarHBondContact OD1-CG 3.39Å; D434-R521 IonicContact OD1-NE 2.69Å; F507-R521 WeakPolarHBondContact CA-O 3.31Å; R508-R521 PolarHBondContact N-O 2.81Å; R508-R521 PolarHBondContact O-N 3.17Å; T519-R521 HydrophobicContact CG2-CG 4.31Å; R521-Y523 HydrophobicContact CB-CE1 4.42Å; R521-Y523 HydrophobicContact CB-CE2 3.7Å; R521-Y523 WeakPolarHBondContact CB-OH 3.46Å; R521-Y523 WeakPolarHBondContact CD-OH 3.47Å
522I98.3Very high84.5Confident2 Ų244.5 Ų44.51%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-112.7127174.4-54.3-179.6000107.8R432 F433 Y435 V506 F507 A549 L550 I555R432-I522 CarbonylContact C-O 3.58Å; R432-I522 WeakPolarHBondContact CA-O 3.46Å; F433-I522 HydrophobicContact CB-CB 4.31Å; F433-I522 PolarHBondContact N-O 2.89Å; F433-I522 PolarHBondContact O-N 2.66Å; Y435-I522 HydrophobicContact CE2-CD1 4.13Å; V506-I522 CarbonylContact O-C 3.51Å; V506-I522 WeakPolarHBondContact O-CA 3.31Å; F507-I522 HydrophobicContact CD1-CD1 4.12Å; F507-I522 HydrophobicContact CD1-CG1 3.82Å; F507-I522 HydrophobicContact CD1-CG2 4.25Å; F507-I522 HydrophobicContact CE1-CD1 3.99Å; F507-I522 HydrophobicContact CE1-CG1 4.1Å; F507-I522 HydrophobicContact CE1-CG2 4.01Å; I522-A549 HydrophobicContact CG2-CB 3.84Å; I522-L550 HydrophobicContact CD1-CD2 4.3Å; I522-I555 HydrophobicContact CD1-CD1 4.22Å
523Y98.6Very high86.6Confident3 Ų349.1 Ų49.11%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-114.5132.7178.2-42.4-102.8000108A341 E382 F430 C431 R432 L505 V506 R508 R521A341-Y523 HydrophobicContact CB-CD1 3.93Å; A341-Y523 HydrophobicContact CB-CD2 4.05Å; A341-Y523 HydrophobicContact CB-CE1 3.73Å; A341-Y523 HydrophobicContact CB-CE2 3.91Å; A341-Y523 HydrophobicContact CB-CG 4.08Å; E382-Y523 HydrophobicContact CG-CD1 4.27Å; E382-Y523 HydrophobicContact CG-CE1 4.05Å; E382-Y523 WeakPolarHBondContact OE1-CE1 3.16Å; F430-Y523 AromaticContact CZ-CD1 3.88Å; F430-Y523 HydrophobicContact CZ-CD1 3.88Å; F430-Y523 HydrophobicContact CZ-CG 4.47Å; C431-Y523 WeakPolarHBondContact O-CA 3.49Å; R432-Y523 HydrophobicContact CB-CD1 4.07Å; R432-Y523 HydrophobicContact CB-CE1 4.44Å; R432-Y523 HydrophobicContact CG-CD1 3.63Å; R432-Y523 HydrophobicContact CG-CE1 3.63Å; R432-Y523 HydrophobicContact CG-CG 4.41Å; L505-Y523 WeakPolarHBondContact CA-O 3.39Å; V506-Y523 HydrophobicContact CB-CD2 3.75Å; V506-Y523 HydrophobicContact CB-CG 4.3Å; V506-Y523 HydrophobicContact CG1-CD2 3.83Å; V506-Y523 HydrophobicContact CG1-CE2 4.28Å; V506-Y523 PolarHBondContact N-O 2.94Å; V506-Y523 WeakPolarHBondContact O-CD2 3.44Å; V506-Y523 PolarHBondContact O-N 3.31Å; R508-Y523 HydrophobicContact CB-CE2 3.98Å; R508-Y523 HydrophobicContact CG-CE2 3.88Å; R521-Y523 HydrophobicContact CB-CE1 4.42Å; R521-Y523 HydrophobicContact CB-CE2 3.7Å; R521-Y523 WeakPolarHBondContact CB-OH 3.46Å; R521-Y523 WeakPolarHBondContact CD-OH 3.47Å
524A98.8Very high89Confident0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-121.7134.6174.500000109.6F430 C431 L505 L545 I546F430-A524 WeakPolarHBondContact CA-O 3.15Å; C431-A524 PolarHBondContact N-O 2.82Å; C431-A524 PolarHBondContact O-N 2.89Å; L505-A524 HydrophobicContact CD2-CB 3.83Å; A524-L545 HydrophobicContact CB-CB 4.27Å; A524-I546 HydrophobicContact CB-CD1 3.62Å; A524-I546 HydrophobicContact CB-CG1 4.14Å
525E98.8Very high91.5Very high3 Ų351.7 Ų51.71%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-134138.6176.9-174.4-177.9-178.900111A344 N428 Y429 F430 S503 R504 L545A344-E525 PolarHBondContact N-OE1 3.44Å; A344-E525 PolarHBondContact N-OE2 3.07Å; N428-E525 HydrophobicContact CB-CG 4.47Å; N428-E525 PolarHBondContact ND2-OE1 3.02Å; Y429-E525 CarbonylContact O-C 3.53Å; Y429-E525 WeakPolarHBondContact O-CA 3.31Å; F430-E525 HydrophobicContact CD2-CB 4.08Å; F430-E525 HydrophobicContact CD2-CG 4.36Å; S503-E525 CarbonylContact C-O 3.54Å; S503-E525 WeakPolarHBondContact CA-O 3.47Å; S503-E525 WeakPolarHBondContact CB-O 3.34Å; R504-E525 HydrophobicContact CB-CB 4.31Å; R504-E525 IonicContact CZ-OE2 3.33Å; R504-E525 PolarHBondContact N-O 3.12Å; R504-E525 IonicContact NE-OE2 2.9Å; R504-E525 PolarHBondContact NE-OE2 2.94Å; R504-E525 IonicContact NH2-OE2 2.64Å; R504-E525 PolarHBondContact NH2-OE2 3.43Å; R504-E525 PolarHBondContact O-N 3.48Å; E525-L545 VanDerWaalsContact O-CD1 3.24Å; E525-L545 WeakPolarHBondContact O-CD1 3.47Å
526S98.5Very high93.5Very high13 Ų1353.4 Ų53.49%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-138130.1170.5-170.80000110.6N428 Y429 S503N428-S526 CarbonylContact C-O 3.59Å; Y429-S526 WeakPolarHBondContact CB-O 3.29Å; Y429-S526 PolarHBondContact N-O 2.74Å; Y429-S526 PolarHBondContact O-N 2.72Å; S503-S526 PolarHBondContact OG-OG 3.07Å; S503-S526 VanDerWaalsContact OG-OG 3.13Å
527F98.3Very high95.4Very high40 Ų4052.7 Ų52.718%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-91.6127.8178.9175.8-108.2000111F425 R529F425-F527 WeakPolarHBondContact O-CE2 3.23Å; F527-R529 HydrophobicContact CE1-CB 3.94Å; F527-R529 HydrophobicContact CZ-CB 4.25Å
528E98.1Very high96.5Very high34 Ų3453.1 Ų53.116%0.15925%0.253CS..EExtended strand (participates in β ladder)trans-118.9119.2174.7-178.954.7-89.800110.1G426 R427 Y429 D530 R533 H534G426-E528 WeakPolarHBondContact CA-O 3.5Å; R427-E528 PolarHBondContact N-O 3.27Å; R427-E528 PolarHBondContact O-N 2.78Å; Y429-E528 HydrophobicContact CD2-CB 4.09Å; Y429-E528 HydrophobicContact CE2-CB 3.8Å; Y429-E528 HydrophobicContact CE2-CG 4.37Å; E528-D530 WeakPolarHBondContact OE1-CB 3.2Å; E528-D530 PolarHBondContact OE1-N 3.23Å; E528-R533 HydrophobicContact CG-CB 3.56Å; E528-R533 WeakPolarHBondContact OE2-CD 3.16Å; E528-R533 IonicContact OE2-NH1 3.16Å; E528-H534 PolarHBondContact O-NE2 3.42Å
529R97Very high96.9Very high204 Ų20455.8 Ų55.877%0.7726%0.263SS*.  trans-84.2-33.4-179.9-174175-179.8178.8-1.1111.7F527 P531F527-R529 HydrophobicContact CE1-CB 3.94Å; F527-R529 HydrophobicContact CZ-CB 4.25Å; R529-P531 VanDerWaalsContact O-CD 3.28Å; R529-P531 WeakPolarHBondContact O-CD 3.34Å
530D97.1Very high97.2Very high63 Ų6359 Ų5934%0.33728%0.283SS..  trans-74.4114.8-173.4-175.9-1.3000111.3E528 E532 R533 H534E528-D530 WeakPolarHBondContact OE1-CB 3.2Å; E528-D530 PolarHBondContact OE1-N 3.23Å; D530-E532 PolarHBondContact O-N 3Å; D530-E532 PolarHBondContact OD1-N 3.36Å; D530-E532 VanDerWaalsContact OD1-N 3.12Å; D530-R533 HydrophobicContact CB-CB 4.34Å; D530-R533 HydrophobicContact CB-CG 4.13Å; D530-R533 PolarHBondContact O-N 3.1Å; D530-R533 IonicContact OD2-NE 2.78Å; D530-H534 PolarHBondContact O-CD2 3.45Å; D530-H534 PolarHBondContact O-NE2 3.49Å
531P96.4Very high97.4Very high66 Ų6659.5 Ų59.543%0.42929%0.286SS..G310 helixtrans-57.8-31.2179.7-24.936.4000114.3R529 R533 H534R529-P531 VanDerWaalsContact O-CD 3.28Å; R529-P531 WeakPolarHBondContact O-CD 3.34Å; P531-R533 PolarHBondContact O-N 3.48Å; P531-R533 VanDerWaalsContact O-N 3.16Å; P531-H534 WeakPolarHBondContact O-CB 3.47Å; P531-H534 PolarHBondContact O-N 3.49Å; P531-H534 VanDerWaalsContact O-N 3.1Å
532E97.2Very high97.5Very high168 Ų16858.6 Ų58.679%0.78528%0.283SS*.G310 helixtrans-64.6-22178.4-62.6-57.6135.800111.9D530D530-E532 PolarHBondContact O-N 3Å; D530-E532 PolarHBondContact OD1-N 3.36Å; D530-E532 VanDerWaalsContact OD1-N 3.12Å
533R96.9Very high97.5Very high128 Ų12860 Ų6048%0.48330%0.297SS..G310 helixtrans-983.3-179.8-62.1-178.8177.9-167.3-3.1113.1Y429 E528 D530 P531 S535Y429-R533 PolarHBondContact OH-O 2.97Å; E528-R533 HydrophobicContact CG-CB 3.56Å; E528-R533 WeakPolarHBondContact OE2-CD 3.16Å; E528-R533 IonicContact OE2-NH1 3.16Å; D530-R533 HydrophobicContact CB-CB 4.34Å; D530-R533 HydrophobicContact CB-CG 4.13Å; D530-R533 PolarHBondContact O-N 3.1Å; D530-R533 IonicContact OD2-NE 2.78Å; P531-R533 PolarHBondContact O-N 3.48Å; P531-R533 VanDerWaalsContact O-N 3.16Å; R533-S535 VanDerWaalsContact C-N 3.31Å; R533-S535 PolarHBondContact O-N 2.8Å
534H98.1Very high97.4Very high8 Ų860.6 Ų60.64%0.03730%0.301CS..THydrogen-bonded Turntrans-77.7-11.1-178.5-68.1175.1000114.2W422 R427 Y429 E528 D530 P531W422-H534 WeakPolarHBondContact CB-ND1 3.45Å; W422-H534 HydrophobicContact CE3-CB 4.36Å; W422-H534 PolarHBondContact O-CE1 3.2Å; R427-H534 PolarHBondContact N-NE2 2.98Å; R427-H534 PolarHBondContact NH1-O 2.82Å; Y429-H534 WeakPolarHBondContact OH-CA 3.23Å; Y429-H534 PolarHBondContact OH-O 3.32Å; E528-H534 PolarHBondContact O-NE2 3.42Å; D530-H534 PolarHBondContact O-CD2 3.45Å; D530-H534 PolarHBondContact O-NE2 3.49Å; P531-H534 WeakPolarHBondContact O-CB 3.47Å; P531-H534 PolarHBondContact O-N 3.49Å; P531-H534 VanDerWaalsContact O-N 3.1Å
535S96.6Very high97.4Very high86 Ų8660.6 Ų60.660%0.60130%0.301SS*.THydrogen-bonded Turntrans-96.78.1179.4-65.20000114.1R419 R533R419-S535 PolarHBondContact NH1-OG 2.87Å; R533-S535 VanDerWaalsContact C-N 3.31Å; R533-S535 PolarHBondContact O-N 2.8Å
536R97.1Very high97.4Very high88 Ų8861 Ų6133%0.33230%0.304SS..SBendtrans-70.8152.5179.1-63.3175.366.2-166.9-0.1110.6Y429 T538 V541Y429-R536 WeakPolarHBondContact CE1-O 3.22Å; Y429-R536 PolarHBondContact OH-N 3.2Å; R536-T538 PolarHBondContact O-N 2.78Å; R536-V541 HydrophobicContact CB-CG2 3.69Å
537E96.9Very high97.4Very high130 Ų13062.3 Ų62.361%0.60732%0.315SS*.  trans-66128.3172.8-171.5-174.1167.900110.2Q539 V540 V541E537-Q539 VanDerWaalsContact C-N 3.29Å; E537-Q539 PolarHBondContact O-N 3.36Å; E537-V540 HydrophobicContact CB-CB 4.3Å; E537-V540 HydrophobicContact CB-CG2 3.97Å; E537-V540 HydrophobicContact CG-CG2 4.43Å; E537-V540 WeakPolarHBondContact O-CB 3.39Å; E537-V540 PolarHBondContact O-N 3.2Å; E537-V540 VanDerWaalsContact O-N 3.07Å; E537-V541 PolarHBondContact O-N 2.96Å; E537-V541 VanDerWaalsContact O-N 3.13Å
538T96.5Very high97.4Very high34 Ų3460.8 Ų60.821%0.20931%0.308CS..Hα-helixtrans-56.5-41.4-176.8-58.10000112.4R427 Y429 R536 V540 V541 L542R427-T538 PolarHBondContact NH2-OG1 2.67Å; Y429-T538 HydrophobicContact CD1-CG2 4.2Å; R536-T538 PolarHBondContact O-N 2.78Å; T538-V540 VanDerWaalsContact C-N 3.3Å; T538-V540 PolarHBondContact O-N 3.39Å; T538-V541 PolarHBondContact O-N 3.15Å; T538-L542 HydrophobicContact CG2-CD1 3.55Å; T538-L542 HydrophobicContact CG2-CG 4.21Å; T538-L542 WeakPolarHBondContact O-CB 3.33Å; T538-L542 WeakPolarHBondContact O-CG 3.45Å; T538-L542 PolarHBondContact O-N 3.43Å
539Q95.2Very high97.4Very high68 Ų6859.1 Ų59.132%0.31830%0.301SS..Hα-helixtrans-66-32.3179.8-65.2-59.5-33.900112.5E537 G543E537-Q539 VanDerWaalsContact C-N 3.29Å; E537-Q539 PolarHBondContact O-N 3.36Å; Q539-G543 WeakPolarHBondContact O-CA 3.17Å; Q539-G543 PolarHBondContact O-N 2.88Å
540V96.8Very high97.5Very high82 Ų8251.1 Ų51.150%0.49727%0.273SS..Hα-helixtrans-70.3-42.2175175.50000110.9E537 T538E537-V540 HydrophobicContact CB-CB 4.3Å; E537-V540 HydrophobicContact CB-CG2 3.97Å; E537-V540 HydrophobicContact CG-CG2 4.43Å; E537-V540 WeakPolarHBondContact O-CB 3.39Å; E537-V540 PolarHBondContact O-N 3.2Å; E537-V540 VanDerWaalsContact O-N 3.07Å; T538-V540 VanDerWaalsContact C-N 3.3Å; T538-V540 PolarHBondContact O-N 3.39Å
541V97.6Very high97.5Very high11 Ų1156.7 Ų56.77%0.06729%0.294CS..Hα-helixtrans-66.1-43178.5177.40000111.3Y429 R536 E537 T538Y429-V541 HydrophobicContact CD1-CB 4.17Å; Y429-V541 HydrophobicContact CD1-CG1 4.36Å; Y429-V541 HydrophobicContact CD1-CG2 4.15Å; Y429-V541 HydrophobicContact CD2-CB 4.4Å; Y429-V541 HydrophobicContact CD2-CG1 3.78Å; Y429-V541 HydrophobicContact CD2-CG2 4.36Å; Y429-V541 HydrophobicContact CE1-CB 4.42Å; Y429-V541 HydrophobicContact CE1-CG2 3.9Å; Y429-V541 HydrophobicContact CE2-CG1 4.27Å; Y429-V541 HydrophobicContact CE2-CG2 4.13Å; Y429-V541 HydrophobicContact CG-CB 4.13Å; Y429-V541 HydrophobicContact CG-CG1 3.82Å; Y429-V541 HydrophobicContact CG-CG2 4.36Å; R536-V541 HydrophobicContact CB-CG2 3.69Å; E537-V541 PolarHBondContact O-N 2.96Å; E537-V541 VanDerWaalsContact O-N 3.13Å; T538-V541 PolarHBondContact O-N 3.15Å
542L98.2Very high97.5Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-89.3-13.1-174.2-60.5179000113.9F430 C431 T538 P544 L545 I546F430-L542 VanDerWaalsContact C-CD1 3.47Å; C431-L542 HydrophobicContact CB-CD1 3.76Å; C431-L542 WeakPolarHBondContact SG-CD1 3.29Å; T538-L542 HydrophobicContact CG2-CD1 3.55Å; T538-L542 HydrophobicContact CG2-CG 4.21Å; T538-L542 WeakPolarHBondContact O-CB 3.33Å; T538-L542 WeakPolarHBondContact O-CG 3.45Å; T538-L542 PolarHBondContact O-N 3.43Å; L542-P544 VanDerWaalsContact C-N 3.34Å; L542-L545 HydrophobicContact CD2-CD1 4.09Å; L542-L545 WeakPolarHBondContact O-CB 3.2Å; L542-L545 PolarHBondContact O-N 3.24Å; L542-I546 WeakPolarHBondContact O-CG1 3.24Å; L542-I546 PolarHBondContact O-N 3.06Å
543G98.1Very high97.5Very high30 Ų3047.2 Ų47.231%0.30925%0.245SC..Hα-helixtrans-47.9-47179.500000114.2Q539 L545 I546 A547Q539-G543 WeakPolarHBondContact O-CA 3.17Å; Q539-G543 PolarHBondContact O-N 2.88Å; G543-L545 PolarHBondContact O-N 3.36Å; G543-I546 PolarHBondContact O-N 3.25Å; G543-A547 WeakPolarHBondContact O-CB 3.33Å; G543-A547 PolarHBondContact O-N 3.11Å
544P98.4Very high97.6Very high16 Ų1643.6 Ų43.610%0.10424%0.235CC..Hα-helixtrans-58.7-44.8174.5-28.837.8000114.4V466 H469 Y471 L542 A547 I548V466-P544 HydrophobicContact CB-CB 4.04Å; V466-P544 HydrophobicContact CG1-CB 4.16Å; H469-P544 HydrophobicContact CB-CB 4.27Å; H469-P544 HydrophobicContact CB-CG 4.48Å; Y471-P544 HydrophobicContact CE2-CB 3.73Å; L542-P544 VanDerWaalsContact C-N 3.34Å; P544-A547 PolarHBondContact O-N 2.98Å; P544-I548 WeakPolarHBondContact O-CG1 3.39Å; P544-I548 PolarHBondContact O-N 2.98Å; P544-I548 VanDerWaalsContact O-N 3.11Å
545L98.3Very high97.5Very high0 Ų043.2 Ų43.20%023%0.234CC..Hα-helixtrans-65-42.5176.8-77.1168.8000111.4Y471 F499 L505 A524 E525 L542 G543 A547 I548 A549Y471-L545 HydrophobicContact CD1-CD2 3.58Å; Y471-L545 HydrophobicContact CD1-CG 4.27Å; Y471-L545 HydrophobicContact CD2-CD2 4.38Å; Y471-L545 HydrophobicContact CE1-CD1 4.13Å; Y471-L545 HydrophobicContact CE1-CD2 3.47Å; Y471-L545 VanDerWaalsContact CE1-CD2 3.47Å; Y471-L545 HydrophobicContact CE1-CG 3.64Å; Y471-L545 HydrophobicContact CE2-CD2 4.28Å; Y471-L545 HydrophobicContact CE2-CG 4.3Å; Y471-L545 HydrophobicContact CG-CD2 4.03Å; F499-L545 HydrophobicContact CD2-CD2 3.88Å; F499-L545 HydrophobicContact CE2-CD2 3.54Å; F499-L545 HydrophobicContact CZ-CD2 4.29Å; L505-L545 HydrophobicContact CD2-CB 4.16Å; L505-L545 HydrophobicContact CG-CD2 4.3Å; A524-L545 HydrophobicContact CB-CB 4.27Å; E525-L545 VanDerWaalsContact O-CD1 3.24Å; E525-L545 WeakPolarHBondContact O-CD1 3.47Å; L542-L545 HydrophobicContact CD2-CD1 4.09Å; L542-L545 WeakPolarHBondContact O-CB 3.2Å; L542-L545 PolarHBondContact O-N 3.24Å; G543-L545 PolarHBondContact O-N 3.36Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-A547 PolarHBondContact O-N 3.35Å; L545-I548 WeakPolarHBondContact O-CB 3.29Å; L545-I548 PolarHBondContact O-N 3.37Å; L545-A549 WeakPolarHBondContact O-CB 3.34Å; L545-A549 PolarHBondContact O-N 3.48Å
546I98.3Very high97.6Very high13 Ų1341.9 Ų41.97%0.06722%0.218CC..Hα-helixtrans-61.8-43.2176-66.7-65.3000110.5F433 A524 L542 G543 I548 A549 L550F433-I546 HydrophobicContact CD1-CD1 4.36Å; F433-I546 HydrophobicContact CD2-CD1 4.5Å; F433-I546 HydrophobicContact CD2-CG2 4.31Å; F433-I546 HydrophobicContact CE1-CD1 4.31Å; F433-I546 HydrophobicContact CE2-CD1 4.46Å; F433-I546 HydrophobicContact CE2-CG2 3.66Å; F433-I546 HydrophobicContact CG-CD1 4.47Å; F433-I546 HydrophobicContact CZ-CD1 4.38Å; F433-I546 HydrophobicContact CZ-CG1 4.41Å; F433-I546 HydrophobicContact CZ-CG2 4.01Å; A524-I546 HydrophobicContact CB-CD1 3.62Å; A524-I546 HydrophobicContact CB-CG1 4.14Å; L542-I546 WeakPolarHBondContact O-CG1 3.24Å; L542-I546 PolarHBondContact O-N 3.06Å; G543-I546 PolarHBondContact O-N 3.25Å; I546-I548 VanDerWaalsContact C-N 3.31Å; I546-I548 PolarHBondContact O-N 3.44Å; I546-A549 WeakPolarHBondContact O-CB 3.37Å; I546-A549 PolarHBondContact O-N 3.39Å; I546-A549 VanDerWaalsContact O-N 3.08Å; I546-L550 HydrophobicContact CG2-CD1 3.87Å; I546-L550 HydrophobicContact CG2-CG 4.11Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.27Å; I546-L550 PolarHBondContact O-N 3.22Å
547A98.3Very high97.5Very high40 Ų4045.1 Ų45.133%0.33124%0.237SC..Hα-helixtrans-59.4-41.5176.200000112.2V466 G543 P544 L545 K551V466-A547 HydrophobicContact CG1-CB 4.15Å; V466-A547 HydrophobicContact CG2-CB 4.35Å; G543-A547 WeakPolarHBondContact O-CB 3.33Å; G543-A547 PolarHBondContact O-N 3.11Å; P544-A547 PolarHBondContact O-N 2.98Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-A547 PolarHBondContact O-N 3.35Å; A547-K551 VanDerWaalsContact O-CB 3.29Å; A547-K551 WeakPolarHBondContact O-CB 3.39Å; A547-K551 PolarHBondContact O-N 3.13Å
548I98.5Very high97.5Very high7 Ų743.3 Ų43.34%0.03622%0.224CC..Hα-helixtrans-60.7-48.2172.6-65.8163.8000110.1F464 V466 Y471 L505 P544 L545 I546 L550 K551 I552F464-I548 HydrophobicContact CB-CD1 3.48Å; F464-I548 VanDerWaalsContact CB-CD1 3.48Å; F464-I548 HydrophobicContact CB-CG1 3.8Å; F464-I548 HydrophobicContact CB-CG2 4.25Å; F464-I548 HydrophobicContact CD1-CG2 4.02Å; F464-I548 HydrophobicContact CD2-CG2 4.25Å; F464-I548 HydrophobicContact CE1-CG2 4.45Å; F464-I548 HydrophobicContact CG-CD1 4.29Å; F464-I548 HydrophobicContact CG-CG1 4.36Å; F464-I548 HydrophobicContact CG-CG2 3.91Å; V466-I548 HydrophobicContact CG2-CD1 4.16Å; V466-I548 HydrophobicContact CG2-CG1 3.68Å; Y471-I548 HydrophobicContact CD2-CD1 3.36Å; Y471-I548 HydrophobicContact CE2-CD1 4.01Å; Y471-I548 HydrophobicContact CG-CD1 3.99Å; L505-I548 HydrophobicContact CD1-CB 4.3Å; L505-I548 HydrophobicContact CD1-CG2 4.03Å; P544-I548 WeakPolarHBondContact O-CG1 3.39Å; P544-I548 PolarHBondContact O-N 2.98Å; P544-I548 VanDerWaalsContact O-N 3.11Å; L545-I548 WeakPolarHBondContact O-CB 3.29Å; L545-I548 PolarHBondContact O-N 3.37Å; I546-I548 VanDerWaalsContact C-N 3.31Å; I546-I548 PolarHBondContact O-N 3.44Å; I548-L550 PolarHBondContact O-N 3.36Å; I548-K551 PolarHBondContact O-N 3.39Å; I548-I552 VanDerWaalsContact O-CG2 3.28Å; I548-I552 WeakPolarHBondContact O-CG2 3.49Å; I548-I552 PolarHBondContact O-N 2.78Å
549A98.3Very high97.4Very high0 Ų043.1 Ų43.10%022%0.223CC..Hα-helixtrans-60.5-45-177.300000112.7L505 F507 I522 L545 I546 S553L505-A549 HydrophobicContact CD1-CB 3.81Å; L505-A549 HydrophobicContact CD2-CB 3.72Å; L505-A549 HydrophobicContact CG-CB 4.36Å; F507-A549 HydrophobicContact CE1-CB 3.96Å; F507-A549 HydrophobicContact CZ-CB 3.73Å; I522-A549 HydrophobicContact CG2-CB 3.84Å; L545-A549 WeakPolarHBondContact O-CB 3.34Å; L545-A549 PolarHBondContact O-N 3.48Å; I546-A549 WeakPolarHBondContact O-CB 3.37Å; I546-A549 PolarHBondContact O-N 3.39Å; I546-A549 VanDerWaalsContact O-N 3.08Å; A549-S553 VanDerWaalsContact O-CB 3.27Å; A549-S553 WeakPolarHBondContact O-CB 3.32Å; A549-S553 PolarHBondContact O-N 3.44Å; A549-S553 VanDerWaalsContact O-N 3.13Å; A549-S553 PolarHBondContact O-OG 3.13Å
550L98.2Very high97.4Very high35 Ų3543 Ų4318%0.18324%0.24CC..Hα-helixtrans-65.6-41.8178-64.2178.3000111.3Y435 I522 I546 I548 S553 N554 I555Y435-L550 WeakPolarHBondContact OH-CD2 3.18Å; I522-L550 HydrophobicContact CD1-CD2 4.3Å; I546-L550 HydrophobicContact CG2-CD1 3.87Å; I546-L550 HydrophobicContact CG2-CG 4.11Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.27Å; I546-L550 PolarHBondContact O-N 3.22Å; I548-L550 PolarHBondContact O-N 3.36Å; L550-S553 PolarHBondContact O-OG 2.88Å; L550-N554 WeakPolarHBondContact O-CA 3.28Å; L550-N554 PolarHBondContact O-N 2.67Å; L550-I555 HydrophobicContact CD2-CG2 3.51Å
551K97.8Very high97.3Very high180 Ų18042.1 Ų42.178%0.78323%0.228SC*.Hα-helixtrans-68.6-46.9-179.7-172176.7-178.3179.10112.5A547 I548 N554A547-K551 VanDerWaalsContact O-CB 3.29Å; A547-K551 WeakPolarHBondContact O-CB 3.39Å; A547-K551 PolarHBondContact O-N 3.13Å; I548-K551 PolarHBondContact O-N 3.39Å; K551-N554 PolarHBondContact O-N 2.85Å
552I97.4Very high97.2Very high33 Ų3353.3 Ų53.317%0.16927%0.269CS..Hα-helixtrans-71-36.2-177-163.3176.3000112.2L450 V453 I454 F459 F464 I497 F507 I548 N554L450-I552 HydrophobicContact CD1-CB 4.46Å; L450-I552 HydrophobicContact CD1-CD1 4.18Å; L450-I552 HydrophobicContact CD1-CG1 3.9Å; L450-I552 HydrophobicContact CD1-CG2 4.01Å; V453-I552 HydrophobicContact CG1-CD1 4Å; V453-I552 HydrophobicContact CG1-CG1 4.11Å; I454-I552 HydrophobicContact CG2-CD1 4.38Å; F459-I552 HydrophobicContact CE2-CD1 3.62Å; F459-I552 HydrophobicContact CZ-CD1 3.63Å; F464-I552 HydrophobicContact CZ-CD1 4.1Å; I497-I552 HydrophobicContact CD1-CD1 4.18Å; F507-I552 HydrophobicContact CZ-CG2 4.09Å; I548-I552 VanDerWaalsContact O-CG2 3.28Å; I548-I552 WeakPolarHBondContact O-CG2 3.49Å; I548-I552 PolarHBondContact O-N 2.78Å; I552-N554 VanDerWaalsContact C-N 3.34Å
553S97.3Very high97Very high2 Ų254.6 Ų54.61%0.01428%0.282CS..Hα-helixtrans-77.8-22.9176.1640000112.9A549 L550 I555 R558A549-S553 VanDerWaalsContact O-CB 3.27Å; A549-S553 WeakPolarHBondContact O-CB 3.32Å; A549-S553 PolarHBondContact O-N 3.44Å; A549-S553 VanDerWaalsContact O-N 3.13Å; A549-S553 PolarHBondContact O-OG 3.13Å; L550-S553 PolarHBondContact O-OG 2.88Å; S553-I555 PolarHBondContact O-N 3.24Å; S553-I555 PolarHBondContact OG-N 3.02Å; S553-R558 WeakPolarHBondContact O-CD 3.4Å
554N97.1Very high96.9Very high52 Ų5254.8 Ų54.828%0.27828%0.278SS..THydrogen-bonded Turntrans48.937.7-169.3-161.918.5000113.1L550 K551 I552 H556 E557 R558L550-N554 WeakPolarHBondContact O-CA 3.28Å; L550-N554 PolarHBondContact O-N 2.67Å; K551-N554 PolarHBondContact O-N 2.85Å; I552-N554 VanDerWaalsContact C-N 3.34Å; N554-H556 VanDerWaalsContact C-N 3.34Å; N554-H556 PolarHBondContact O-N 3.4Å; N554-E557 PolarHBondContact ND2-OE2 3.09Å; N554-E557 WeakPolarHBondContact OD1-CB 3.3Å; N554-E557 VanDerWaalsContact OD1-CG 3.26Å; N554-E557 WeakPolarHBondContact OD1-CG 3.38Å; N554-E557 PolarHBondContact OD1-OE2 2.92Å; N554-R558 WeakPolarHBondContact O-CB 3.42Å; N554-R558 VanDerWaalsContact O-CG 3.24Å; N554-R558 WeakPolarHBondContact O-CG 3.32Å; N554-R558 PolarHBondContact O-N 3.42Å; N554-R558 VanDerWaalsContact O-N 3.13Å
555I97.1Very high96.7Very high0 Ų057.9 Ų57.90%029%0.293CS..Hα-helixtrans-61.2-40.5-171.2-172.3-172.6000112.7Y435 L446 M520 I522 L550 S553 R558 T559Y435-I555 HydrophobicContact CD1-CD1 3.49Å; Y435-I555 VanDerWaalsContact CD1-CD1 3.49Å; Y435-I555 HydrophobicContact CD1-CG1 4.39Å; Y435-I555 HydrophobicContact CD2-CD1 3.34Å; Y435-I555 HydrophobicContact CE1-CD1 3.59Å; Y435-I555 HydrophobicContact CE1-CG1 4.4Å; Y435-I555 HydrophobicContact CE2-CD1 3.47Å; Y435-I555 VanDerWaalsContact CE2-CD1 3.47Å; Y435-I555 HydrophobicContact CG-CD1 3.34Å; L446-I555 HydrophobicContact CD1-CB 3.84Å; L446-I555 HydrophobicContact CD1-CG1 3.74Å; M520-I555 HydrophobicContact CE-CB 4.04Å; M520-I555 HydrophobicContact CE-CD1 3.04Å; M520-I555 HydrophobicContact CE-CG1 3.4Å; M520-I555 VanDerWaalsContact CE-CG1 3.4Å; I522-I555 HydrophobicContact CD1-CD1 4.22Å; L550-I555 HydrophobicContact CD2-CG2 3.51Å; S553-I555 PolarHBondContact O-N 3.24Å; S553-I555 PolarHBondContact OG-N 3.02Å; I555-R558 PolarHBondContact O-N 2.96Å; I555-T559 HydrophobicContact CG1-CG2 3.94Å; I555-T559 VanDerWaalsContact O-CB 3.31Å; I555-T559 WeakPolarHBondContact O-CB 3.28Å; I555-T559 VanDerWaalsContact O-CG2 3.31Å; I555-T559 WeakPolarHBondContact O-CG2 3.44Å; I555-T559 PolarHBondContact O-N 3.38Å; I555-T559 PolarHBondContact O-OG1 2.7Å
556H97.6Very high96.4Very high59 Ų5958 Ų5827%0.27330%0.295SS..Hα-helixtrans-64.7-47.1-175.7-69.6167.4000112Y435 N554 G560 R561 R562Y435-H556 AromaticContact CE1-CD2 3.95Å; Y435-H556 AromaticContact CZ-NE2 3.99Å; Y435-H556 PolarHBondContact OH-NE2 2.99Å; N554-H556 VanDerWaalsContact C-N 3.34Å; N554-H556 PolarHBondContact O-N 3.4Å; H556-G560 WeakPolarHBondContact O-CA 3.27Å; H556-G560 PolarHBondContact O-N 2.9Å; H556-R561 VanDerWaalsContact CA-O 3.29Å; H556-R561 WeakPolarHBondContact CA-O 3.46Å; H556-R561 WeakPolarHBondContact CB-O 3.44Å; H556-R561 PolarHBondContact CD2-O 3.01Å; H556-R561 VanDerWaalsContact CG-O 3.27Å; H556-R561 PolarHBondContact O-N 3.44Å; H556-R562 PolarHBondContact CE1-O 2.97Å
557E96.6Very high96.2Very high155 Ų15560.8 Ų60.872%0.72431%0.308SS*.Hα-helixtrans-66.8-42.1177.5-62.1-178.217500111.6N554 T559N554-E557 PolarHBondContact ND2-OE2 3.09Å; N554-E557 WeakPolarHBondContact OD1-CB 3.3Å; N554-E557 VanDerWaalsContact OD1-CG 3.26Å; N554-E557 WeakPolarHBondContact OD1-CG 3.38Å; N554-E557 PolarHBondContact OD1-OE2 2.92Å; E557-T559 VanDerWaalsContact C-N 3.3Å; E557-T559 PolarHBondContact O-N 3.48Å
558R95.6Very high95.8Very high93 Ų9359.8 Ų59.835%0.35130%0.299SS..Hα-helixtrans-67.6-28.7-178.4-72175.7178-93.22.5113.6L446 D449 S553 N554 I555L446-R558 HydrophobicContact CD1-CB 4.37Å; D449-R558 IonicContact OD2-CZ 2.72Å; D449-R558 IonicContact OD2-NH1 2.72Å; D449-R558 PolarHBondContact OD2-NH1 3.41Å; D449-R558 IonicContact OD2-NH2 3.95Å; D449-R558 PolarHBondContact OD2-NH2 2.95Å; S553-R558 WeakPolarHBondContact O-CD 3.4Å; N554-R558 WeakPolarHBondContact O-CB 3.42Å; N554-R558 VanDerWaalsContact O-CG 3.24Å; N554-R558 WeakPolarHBondContact O-CG 3.32Å; N554-R558 PolarHBondContact O-N 3.42Å; N554-R558 VanDerWaalsContact O-N 3.13Å; I555-R558 PolarHBondContact O-N 2.96Å
559T94.6Very high95.7Very high30 Ų3062.5 Ų62.518%0.18431%0.312CS..Hα-helixtrans-111.2-10.3-173.764.90000113.9L438 I555 E557 R561L438-T559 HydrophobicContact CD1-CG2 4.03Å; L438-T559 HydrophobicContact CD2-CG2 3.82Å; L438-T559 HydrophobicContact CG-CG2 4.46Å; I555-T559 HydrophobicContact CG1-CG2 3.94Å; I555-T559 VanDerWaalsContact O-CB 3.31Å; I555-T559 WeakPolarHBondContact O-CB 3.28Å; I555-T559 VanDerWaalsContact O-CG2 3.31Å; I555-T559 WeakPolarHBondContact O-CG2 3.44Å; I555-T559 PolarHBondContact O-N 3.38Å; I555-T559 PolarHBondContact O-OG1 2.7Å; E557-T559 VanDerWaalsContact C-N 3.3Å; E557-T559 PolarHBondContact O-N 3.48Å; T559-R561 PolarHBondContact O-N 3.17Å; T559-R561 WeakPolarHBondContact OG1-CB 3.11Å; T559-R561 WeakPolarHBondContact OG1-CG 3.46Å; T559-R561 PolarHBondContact OG1-N 3.38Å
560G94.9Very high95.6Very high65 Ų6565.7 Ų65.767%0.6733%0.328SS*.  trans697.6-17200000114.3H556H556-G560 WeakPolarHBondContact O-CA 3.27Å; H556-G560 PolarHBondContact O-N 2.9Å
561R94.6Very high95.4Very high63 Ų6367.4 Ų67.424%0.23834%0.336CS..  trans-82.5142.1179.1-60.9-61.6-176.587.3-0.4110.7Y435 E436 G437 L438 H556 T559 N565Y435-R561 HydrophobicContact CD1-CB 4.05Å; Y435-R561 HydrophobicContact CD1-CG 4.21Å; Y435-R561 HydrophobicContact CE1-CB 4.09Å; E436-R561 VanDerWaalsContact O-CZ 3.26Å; E436-R561 PolarHBondContact O-NH1 2.88Å; E436-R561 PolarHBondContact O-NH2 3.02Å; G437-R561 PolarHBondContact O-NH2 3.45Å; L438-R561 HydrophobicContact CD2-CG 3.96Å; H556-R561 VanDerWaalsContact CA-O 3.29Å; H556-R561 WeakPolarHBondContact CA-O 3.46Å; H556-R561 WeakPolarHBondContact CB-O 3.44Å; H556-R561 PolarHBondContact CD2-O 3.01Å; H556-R561 VanDerWaalsContact CG-O 3.27Å; H556-R561 PolarHBondContact O-N 3.44Å; T559-R561 PolarHBondContact O-N 3.17Å; T559-R561 WeakPolarHBondContact OG1-CB 3.11Å; T559-R561 WeakPolarHBondContact OG1-CG 3.46Å; T559-R561 PolarHBondContact OG1-N 3.38Å; R561-N565 PolarHBondContact NH1-OD1 2.77Å
562R95.6Very high95.3Very high246 Ų24660.8 Ų60.893%0.92831%0.31SS*.SBendtrans-91.6-14.5174.6-62.5-176.3-179-174.9-0.2113.6H556H556-R562 PolarHBondContact CE1-O 2.97Å
563G95.3Very high95.2Very high27 Ų2762.6 Ų62.628%0.27832%0.319SS..SBendtrans-173.9171.6-175.400000110.9Y435Y435-G563 VanDerWaalsContact CE1-C 3.44Å; Y435-G563 VanDerWaalsContact CE1-O 3.28Å; Y435-G563 WeakPolarHBondContact CE1-O 3.19Å
564P95.8Very high95Very high34 Ų3466.6 Ų66.622%0.22134%0.339CS..  trans-67.1157.5174.332.4-38.1000111.4F433 D434 Y435 I567F433-P564 HydrophobicContact CB-CB 3.94Å; F433-P564 HydrophobicContact CB-CG 4.34Å; F433-P564 HydrophobicContact CD1-CG 4.42Å; F433-P564 HydrophobicContact CD2-CB 3.97Å; F433-P564 HydrophobicContact CD2-CG 3.54Å; F433-P564 HydrophobicContact CE2-CG 3.83Å; F433-P564 HydrophobicContact CG-CB 4.02Å; F433-P564 HydrophobicContact CG-CG 3.85Å; F433-P564 HydrophobicContact CZ-CG 4.4Å; D434-P564 CarbonylContact O-C 3.58Å; D434-P564 WeakPolarHBondContact O-CB 3.26Å; Y435-P564 HydrophobicContact CD2-CB 4.28Å; Y435-P564 HydrophobicContact CE2-CB 3.92Å; P564-I567 HydrophobicContact CB-CG1 4.37Å; P564-I567 HydrophobicContact CG-CD1 3.81Å; P564-I567 HydrophobicContact CG-CG1 3.52Å
565N93.3Very high94.9Very high81 Ų8167.6 Ų67.643%0.43334%0.343SS..SBendtrans-73.5-41.4169.5-65.789.8000111.4D434 E436 R561D434-N565 PolarHBondContact O-N 3.18Å; E436-N565 HydrophobicContact CB-CB 4.33Å; E436-N565 HydrophobicContact CG-CB 4.21Å; E436-N565 PolarHBondContact N-OD1 2.76Å; E436-N565 PolarHBondContact O-OD1 2.84Å; R561-N565 PolarHBondContact NH1-OD1 2.77Å
566V92.4Very high94.7Very high4 Ų472.8 Ų72.82%0.02437%0.37CS..EExtended strand (participates in β ladder)trans-134.4139.8-177-176.80000109.1Y273 D434Y273-V566 HydrophobicContact CE2-CG2 4.42Å; D434-V566 HydrophobicContact CB-CB 4.17Å; D434-V566 PolarHBondContact N-O 2.92Å; D434-V566 PolarHBondContact O-N 3.16Å
567I94.4Very high94.5Very high70 Ų7074 Ų7436%0.35938%0.378SS..EExtended strand (participates in β ladder)trans-118.3132.2169.6-58.7176.1000107.3R432 F433 P564R432-I567 WeakPolarHBondContact O-CA 3.35Å; F433-I567 HydrophobicContact CD1-CB 4.37Å; F433-I567 HydrophobicContact CD1-CD1 4.37Å; F433-I567 HydrophobicContact CD1-CG1 3.86Å; F433-I567 HydrophobicContact CD1-CG2 3.96Å; F433-I567 HydrophobicContact CE1-CB 4.29Å; F433-I567 HydrophobicContact CE1-CD1 3.75Å; F433-I567 HydrophobicContact CE1-CG1 3.73Å; F433-I567 HydrophobicContact CE1-CG2 3.65Å; F433-I567 HydrophobicContact CG-CG1 4.47Å; F433-I567 HydrophobicContact CZ-CD1 3.82Å; F433-I567 HydrophobicContact CZ-CG1 4.21Å; P564-I567 HydrophobicContact CB-CG1 4.37Å; P564-I567 HydrophobicContact CG-CD1 3.81Å; P564-I567 HydrophobicContact CG-CG1 3.52Å
568T90.5Very high94.3Very high20 Ų2066.6 Ų66.612%0.12335%0.346CS..  trans-124.30177-57.10000111.1F384 C431 R432F384-T568 HydrophobicContact CE2-CG2 3.46Å; F384-T568 VanDerWaalsContact CE2-CG2 3.46Å; F384-T568 HydrophobicContact CZ-CG2 3.44Å; F384-T568 VanDerWaalsContact CZ-CG2 3.44Å; C431-T568 CarbonylContact C-O 3.35Å; C431-T568 WeakPolarHBondContact CA-O 3.25Å; C431-T568 WeakPolarHBondContact CB-O 3.42Å; R432-T568 PolarHBondContact N-O 3.2Å; R432-T568 PolarHBondContact O-N 2.78Å

Retrieved 568 of 568 residues in 113.1 ms (Link to these results)

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