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DEAD-box ATP-dependent RNA helicase CshA

A probable ATP-dependent RNA helicase with RNA-dependent ATPase activity. Involved in regulation of biofilm formation and hemolysis via its effects on stability of mRNA from the agrBDCA operon. Also involved in response to cold stress.

AlphaFold DB , UniProt , Accession Q2FWH5, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene cshA, Length 506 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
1M50.5Low85.7Confident192 Ų19269.8 Ų69.895%0.94637%0.371SS*.  0129.90-142.2133.116400106E24M1-E24 WeakPolarHBondContact CE-OE1 3.29Å; M1-E24 WeakPolarHBondContact CE-OE2 2.96Å; M1-E24 WeakPolarHBondContact CG-OE1 3.29Å
2Q67.5Low86.4Confident79 Ų7971.9 Ų71.937%0.36938%0.382SS..  trans-91.8124.9-170.7-112.2172.61.900110.4E6 P25Q2-E6 VanDerWaalsContact CA-OE2 3.29Å; Q2-E6 WeakPolarHBondContact CA-OE2 3.31Å; Q2-E6 HydrophobicContact CG-CB 4.02Å; Q2-E6 WeakPolarHBondContact CG-OE2 3.33Å; Q2-P25 WeakPolarHBondContact O-CD 3.36Å; Q2-P25 WeakPolarHBondContact O-CG 3.4Å
3N85Confident87Confident54 Ų5466.4 Ų66.429%0.28935%0.353SS..  trans-88.8161.6171.3-167.9-8.9000110.4K5 E6 L7 K23N3-K5 PolarHBondContact O-N 3.41Å; N3-K5 VanDerWaalsContact O-N 3.16Å; N3-E6 WeakPolarHBondContact O-CB 3.32Å; N3-E6 PolarHBondContact O-N 2.92Å; N3-L7 PolarHBondContact O-N 3.27Å; N3-K23 PolarHBondContact OD1-O 2.91Å
4F90.7Very high87.5Confident2 Ų262.4 Ų62.41%0.00933%0.332CS..G310 helixtrans-51.1-35.6175-73.3-75.2000113.6E6 L7 I9 V14 L17 F22 P25 I33 I58F4-E6 VanDerWaalsContact C-N 3.27Å; F4-E6 PolarHBondContact O-N 3.36Å; F4-L7 HydrophobicContact CD1-CD1 4.47Å; F4-L7 WeakPolarHBondContact O-CB 3.12Å; F4-L7 PolarHBondContact O-N 3.45Å; F4-I9 HydrophobicContact CB-CB 4.38Å; F4-I9 HydrophobicContact CB-CG1 4.41Å; F4-I9 WeakPolarHBondContact O-CB 3.47Å; F4-I9 WeakPolarHBondContact O-CG1 3.3Å; F4-I9 PolarHBondContact O-N 3.15Å; F4-V14 HydrophobicContact CB-CG2 4.06Å; F4-L17 HydrophobicContact CB-CD1 4.34Å; F4-L17 HydrophobicContact CD1-CD1 3.86Å; F4-L17 HydrophobicContact CD2-CD1 4Å; F4-L17 HydrophobicContact CE1-CD1 4.12Å; F4-L17 HydrophobicContact CE2-CD1 4.24Å; F4-L17 HydrophobicContact CG-CD1 3.8Å; F4-L17 HydrophobicContact CZ-CD1 4.3Å; F4-F22 HydrophobicContact CE2-CB 4.18Å; F4-P25 HydrophobicContact CD1-CB 4.2Å; F4-P25 HydrophobicContact CE1-CB 3.73Å; F4-P25 HydrophobicContact CZ-CB 3.94Å; F4-I33 HydrophobicContact CD1-CD1 4.24Å; F4-I33 HydrophobicContact CE1-CD1 4.12Å; F4-I58 HydrophobicContact CD1-CD1 4.11Å; F4-I58 HydrophobicContact CE1-CD1 3.49Å; F4-I58 VanDerWaalsContact CE1-CD1 3.49Å; F4-I58 HydrophobicContact CZ-CD1 4.13Å
5K89.8Confident87.9Confident122 Ų12266.5 Ų66.553%0.5335%0.349SS..G310 helixtrans-60.2-36.9175-170.5164.9-177.5153.80112.5N3 L7 G8 D11 V14N3-K5 PolarHBondContact O-N 3.41Å; N3-K5 VanDerWaalsContact O-N 3.16Å; K5-L7 PolarHBondContact O-N 3.16Å; K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.15Å; K5-D11 WeakPolarHBondContact CE-OD1 3.43Å; K5-D11 IonicContact NZ-OD1 2.7Å; K5-D11 PolarHBondContact NZ-OD1 3.4Å; K5-D11 IonicContact NZ-OD2 3.48Å; K5-D11 PolarHBondContact NZ-OD2 3.24Å; K5-V14 HydrophobicContact CB-CG2 4.36Å
6E91.2Very high88.2Confident126 Ų12662.9 Ų62.959%0.58933%0.331SS*.G310 helixtrans-72.2-18.3176.7-60.1-178.4-174.500112.7Q2 N3 F4 G8Q2-E6 VanDerWaalsContact CA-OE2 3.29Å; Q2-E6 WeakPolarHBondContact CA-OE2 3.31Å; Q2-E6 HydrophobicContact CG-CB 4.02Å; Q2-E6 WeakPolarHBondContact CG-OE2 3.33Å; N3-E6 WeakPolarHBondContact O-CB 3.32Å; N3-E6 PolarHBondContact O-N 2.92Å; F4-E6 VanDerWaalsContact C-N 3.27Å; F4-E6 PolarHBondContact O-N 3.36Å; E6-G8 VanDerWaalsContact C-N 3.26Å
7L92.3Very high88.5Confident11 Ų1159.2 Ų59.26%0.05831%0.312CS..G310 helixtrans-83.40.7172.3-57.1-178.1000113N3 F4 K5 P25 K30 I33 P34 L37N3-L7 PolarHBondContact O-N 3.27Å; F4-L7 HydrophobicContact CD1-CD1 4.47Å; F4-L7 WeakPolarHBondContact O-CB 3.12Å; F4-L7 PolarHBondContact O-N 3.45Å; K5-L7 PolarHBondContact O-N 3.16Å; L7-P25 HydrophobicContact CD1-CB 3.74Å; L7-P25 HydrophobicContact CD1-CG 3.79Å; L7-K30 HydrophobicContact CD2-CG 4.36Å; L7-I33 HydrophobicContact CB-CG2 3.94Å; L7-I33 HydrophobicContact CD1-CB 4.25Å; L7-I33 HydrophobicContact CD1-CD1 4.01Å; L7-I33 HydrophobicContact CD1-CG2 4.4Å; L7-P34 HydrophobicContact CD2-CG 4.2Å; L7-L37 VanDerWaalsContact O-CD1 3.31Å; L7-L37 WeakPolarHBondContact O-CD1 3.18Å
8G92Very high88.6Confident52 Ų5261.6 Ų61.654%0.53632%0.32SS..THydrogen-bonded Turntrans88.219.7179.800000114.7K5 E6K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.15Å; E6-G8 VanDerWaalsContact C-N 3.26Å
9I95.5Very high88.7Confident7 Ų762.7 Ų62.74%0.03633%0.334CS..  trans-83.2139.1176.9-56.7-53.2000110.8F4 T13 V14 I33 L37 I58 E62F4-I9 HydrophobicContact CB-CB 4.38Å; F4-I9 HydrophobicContact CB-CG1 4.41Å; F4-I9 WeakPolarHBondContact O-CB 3.47Å; F4-I9 WeakPolarHBondContact O-CG1 3.3Å; F4-I9 PolarHBondContact O-N 3.15Å; I9-T13 HydrophobicContact CG2-CG2 3.59Å; I9-V14 HydrophobicContact CB-CG2 4.18Å; I9-V14 HydrophobicContact CG2-CG2 3.94Å; I9-I33 HydrophobicContact CD1-CG2 3.67Å; I9-I33 HydrophobicContact CG1-CG2 4.18Å; I9-L37 HydrophobicContact CD1-CD1 4.09Å; I9-L37 HydrophobicContact CD1-CD2 4.34Å; I9-I58 HydrophobicContact CD1-CG2 3.52Å; I9-I58 HydrophobicContact CG1-CG2 3.79Å; I9-I58 HydrophobicContact CG2-CG2 4.02Å; I9-E62 HydrophobicContact CD1-CG 4.04Å
10S94.2Very high88.6Confident38 Ų3862.6 Ų62.627%0.26633%0.333SS..  trans-67.5154.5-179.171.20000112.9N12 T13 V14 E62S10-N12 PolarHBondContact O-N 3.03Å; S10-T13 PolarHBondContact O-N 3.23Å; S10-T13 VanDerWaalsContact O-N 3.16Å; S10-T13 PolarHBondContact OG-OG1 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.05Å; S10-V14 PolarHBondContact O-N 2.68Å; S10-E62 WeakPolarHBondContact CB-OE1 3.35Å; S10-E62 VanDerWaalsContact CB-OE2 3.26Å; S10-E62 WeakPolarHBondContact CB-OE2 3.46Å; S10-E62 PolarHBondContact N-OE1 3.39Å; S10-E62 PolarHBondContact OG-OE1 3.29Å; S10-E62 PolarHBondContact OG-OE2 3.3Å
11D93.9Very high88.4Confident85 Ų8562.1 Ų62.146%0.45534%0.342SS..Hα-helixtrans-58.6-34.8-179.4-72.4-30.4000112.6K5 V14 Q15K5-D11 WeakPolarHBondContact CE-OD1 3.43Å; K5-D11 IonicContact NZ-OD1 2.7Å; K5-D11 PolarHBondContact NZ-OD1 3.4Å; K5-D11 IonicContact NZ-OD2 3.48Å; K5-D11 PolarHBondContact NZ-OD2 3.24Å; D11-V14 PolarHBondContact O-N 3.07Å; D11-Q15 WeakPolarHBondContact O-CB 3.48Å; D11-Q15 VanDerWaalsContact O-CG 3.32Å; D11-Q15 WeakPolarHBondContact O-CG 3.23Å; D11-Q15 PolarHBondContact O-N 2.91Å
12N93.9Very high90.1Very high95 Ų9557 Ų5751%0.50832%0.315SS..Hα-helixtrans-65.2-42.6178.1-69.5-23.2000112.3S10 S16 Q96S10-N12 PolarHBondContact O-N 3.03Å; N12-S16 PolarHBondContact O-N 3.48Å; N12-S16 VanDerWaalsContact O-N 3.17Å; N12-S16 PolarHBondContact O-OG 2.7Å; N12-S16 VanDerWaalsContact O-OG 3.09Å; N12-Q96 HydrophobicContact CB-CG 4.3Å
13T94.5Very high90.8Very high0 Ų060.8 Ų60.80%033%0.33CS..Hα-helixtrans-72.3-39.5177-58.40000110.6I9 S10 Q15 S16 L17 I58 E62 Q96I9-T13 HydrophobicContact CG2-CG2 3.59Å; S10-T13 PolarHBondContact O-N 3.23Å; S10-T13 VanDerWaalsContact O-N 3.16Å; S10-T13 PolarHBondContact OG-OG1 3.23Å; T13-Q15 PolarHBondContact O-N 3.32Å; T13-S16 WeakPolarHBondContact O-CB 3.46Å; T13-S16 PolarHBondContact O-N 2.78Å; T13-L17 HydrophobicContact CG2-CD1 4.22Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 VanDerWaalsContact O-CG 3.29Å; T13-L17 WeakPolarHBondContact O-CG 3.41Å; T13-L17 PolarHBondContact O-N 2.85Å; T13-I58 HydrophobicContact CG2-CG2 4.03Å; T13-E62 WeakPolarHBondContact CB-OE1 3.46Å; T13-E62 PolarHBondContact OG1-OE1 3.21Å; T13-Q96 PolarHBondContact OG1-NE2 2.9Å
14V94.1Very high90.9Very high10 Ų1063 Ų636%0.06134%0.339CS..Hα-helixtrans-58.5-45.7174173.30000111.2F4 K5 I9 S10 D11 S16 L17 E18F4-V14 HydrophobicContact CB-CG2 4.06Å; K5-V14 HydrophobicContact CB-CG2 4.36Å; I9-V14 HydrophobicContact CB-CG2 4.18Å; I9-V14 HydrophobicContact CG2-CG2 3.94Å; S10-V14 WeakPolarHBondContact O-CG2 3.05Å; S10-V14 PolarHBondContact O-N 2.68Å; D11-V14 PolarHBondContact O-N 3.07Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.36Å; V14-L17 WeakPolarHBondContact O-CB 3.41Å; V14-L17 PolarHBondContact O-N 3.03Å; V14-L17 VanDerWaalsContact O-N 3.14Å; V14-E18 HydrophobicContact CG1-CG 4.26Å; V14-E18 WeakPolarHBondContact O-CG 3.49Å; V14-E18 PolarHBondContact O-N 3.38Å
15Q93.3Very high90.9Very high125 Ų12563.9 Ų63.958%0.58434%0.344SS*.Hα-helixtrans-60-41.3175.9-76.9176.12.800112.5D11 T13 L17 E18 S19D11-Q15 WeakPolarHBondContact O-CB 3.48Å; D11-Q15 VanDerWaalsContact O-CG 3.32Å; D11-Q15 WeakPolarHBondContact O-CG 3.23Å; D11-Q15 PolarHBondContact O-N 2.91Å; T13-Q15 PolarHBondContact O-N 3.32Å; Q15-L17 VanDerWaalsContact C-N 3.35Å; Q15-E18 PolarHBondContact O-N 3.35Å; Q15-S19 WeakPolarHBondContact O-CB 3.38Å; Q15-S19 PolarHBondContact O-N 3.08Å
16S93.7Very high90.9Very high8 Ų860.1 Ų60.16%0.05633%0.332CS..Hα-helixtrans-59.9-46.3174.2-61.70000111N12 T13 V14 S19 M20 F92 R94N12-S16 PolarHBondContact O-N 3.48Å; N12-S16 VanDerWaalsContact O-N 3.17Å; N12-S16 PolarHBondContact O-OG 2.7Å; N12-S16 VanDerWaalsContact O-OG 3.09Å; T13-S16 WeakPolarHBondContact O-CB 3.46Å; T13-S16 PolarHBondContact O-N 2.78Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.36Å; S16-S19 PolarHBondContact O-N 3.17Å; S16-S19 PolarHBondContact O-OG 2.97Å; S16-M20 WeakPolarHBondContact O-CG 3.37Å; S16-M20 PolarHBondContact O-N 3.3Å; S16-F92 WeakPolarHBondContact CB-O 3.34Å; S16-R94 PolarHBondContact OG-O 3.45Å
17L92.6Very high90.7Very high1 Ų158.5 Ų58.51%0.00533%0.332CS..Hα-helixtrans-63.6-44.1178.5-67.7171.7000112.8F4 T13 V14 Q15 S19 M20 G21 F22 I58 F92F4-L17 HydrophobicContact CB-CD1 4.34Å; F4-L17 HydrophobicContact CD1-CD1 3.86Å; F4-L17 HydrophobicContact CD2-CD1 4Å; F4-L17 HydrophobicContact CE1-CD1 4.12Å; F4-L17 HydrophobicContact CE2-CD1 4.24Å; F4-L17 HydrophobicContact CG-CD1 3.8Å; F4-L17 HydrophobicContact CZ-CD1 4.3Å; T13-L17 HydrophobicContact CG2-CD1 4.22Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 VanDerWaalsContact O-CG 3.29Å; T13-L17 WeakPolarHBondContact O-CG 3.41Å; T13-L17 PolarHBondContact O-N 2.85Å; V14-L17 WeakPolarHBondContact O-CB 3.41Å; V14-L17 PolarHBondContact O-N 3.03Å; V14-L17 VanDerWaalsContact O-N 3.14Å; Q15-L17 VanDerWaalsContact C-N 3.35Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.15Å; L17-M20 WeakPolarHBondContact O-CB 3.12Å; L17-M20 PolarHBondContact O-N 3.16Å; L17-M20 VanDerWaalsContact O-N 3.09Å; L17-G21 PolarHBondContact O-N 3.28Å; L17-F22 HydrophobicContact CB-CB 4.16Å; L17-F22 HydrophobicContact CD2-CB 4.49Å; L17-F22 HydrophobicContact CD2-CD2 3.93Å; L17-F22 WeakPolarHBondContact O-CB 2.97Å; L17-F22 PolarHBondContact O-N 3.19Å; L17-I58 HydrophobicContact CD1-CD1 3.79Å; L17-I58 HydrophobicContact CD1-CG1 4.18Å; L17-I58 HydrophobicContact CD1-CG2 4.22Å; L17-I58 HydrophobicContact CD2-CD1 3.8Å; L17-I58 HydrophobicContact CD2-CG1 4.01Å; L17-I58 HydrophobicContact CG-CD1 4.46Å; L17-F92 HydrophobicContact CD2-CD1 3.52Å; L17-F92 HydrophobicContact CD2-CE1 3.68Å; L17-F92 HydrophobicContact CD2-CG 4.36Å
18E90.9Very high90.6Very high101 Ų10158 Ų5847%0.47233%0.33SS..Hα-helixtrans-62.8-38.2177.5-73.9-180169.200111.9V14 Q15 M20 G21V14-E18 HydrophobicContact CG1-CG 4.26Å; V14-E18 WeakPolarHBondContact O-CG 3.49Å; V14-E18 PolarHBondContact O-N 3.38Å; Q15-E18 PolarHBondContact O-N 3.35Å; E18-M20 PolarHBondContact O-N 2.8Å; E18-G21 PolarHBondContact O-N 3.01Å
19S88.9Confident90.6Very high84 Ų8456.3 Ų56.359%0.58731%0.308SS*.Hα-helixtrans-63.6-23.9175.680.10000113.3Q15 S16 L17 G21Q15-S19 WeakPolarHBondContact O-CB 3.38Å; Q15-S19 PolarHBondContact O-N 3.08Å; S16-S19 PolarHBondContact O-N 3.17Å; S16-S19 PolarHBondContact O-OG 2.97Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.15Å; S19-G21 VanDerWaalsContact C-N 3.34Å
20M87.4Confident90.5Very high60 Ų6060.6 Ų60.630%0.29633%0.326SS..THydrogen-bonded Turntrans-87.6-3.9173.8-59.1171.677.100112.8S16 L17 E18 F22 E91 F92S16-M20 WeakPolarHBondContact O-CG 3.37Å; S16-M20 PolarHBondContact O-N 3.3Å; L17-M20 WeakPolarHBondContact O-CB 3.12Å; L17-M20 PolarHBondContact O-N 3.16Å; L17-M20 VanDerWaalsContact O-N 3.09Å; E18-M20 PolarHBondContact O-N 2.8Å; M20-F22 HydrophobicContact CB-CD2 3.83Å; M20-F22 HydrophobicContact CB-CE2 4.02Å; M20-F22 HydrophobicContact CE-CD2 4.34Å; M20-F22 HydrophobicContact CE-CE2 3.64Å; M20-F22 HydrophobicContact SD-CD2 4.14Å; M20-F22 HydrophobicContact SD-CE2 4.04Å; M20-E91 HydrophobicContact CE-CB 3.49Å; M20-E91 VanDerWaalsContact CE-CB 3.49Å; M20-E91 HydrophobicContact CE-CG 4.2Å; M20-E91 HydrophobicContact CG-CB 4.45Å; M20-E91 HydrophobicContact SD-CB 3.64Å; M20-F92 HydrophobicContact CE-CD1 4.15Å; M20-F92 HydrophobicContact CE-CE1 3.91Å; M20-F92 HydrophobicContact SD-CD1 3.69Å; M20-F92 HydrophobicContact SD-CE1 3.91Å
21G85.5Confident90.4Very high52 Ų5262.6 Ų62.654%0.53633%0.334SS..THydrogen-bonded Turntrans84.97.7-174.800000114.7L17 E18 S19 K23L17-G21 PolarHBondContact O-N 3.28Å; E18-G21 PolarHBondContact O-N 3.01Å; S19-G21 VanDerWaalsContact C-N 3.34Å; G21-K23 PolarHBondContact O-N 2.67Å
22F85Confident90.4Very high85 Ų8558.6 Ų58.637%0.37331%0.312SS..  trans-82.493.6175.9-63.2-46.5000110.9F4 L17 M20 F92F4-F22 HydrophobicContact CE2-CB 4.18Å; L17-F22 HydrophobicContact CB-CB 4.16Å; L17-F22 HydrophobicContact CD2-CB 4.49Å; L17-F22 HydrophobicContact CD2-CD2 3.93Å; L17-F22 WeakPolarHBondContact O-CB 2.97Å; L17-F22 PolarHBondContact O-N 3.19Å; M20-F22 HydrophobicContact CB-CD2 3.83Å; M20-F22 HydrophobicContact CB-CE2 4.02Å; M20-F22 HydrophobicContact CE-CD2 4.34Å; M20-F22 HydrophobicContact CE-CE2 3.64Å; M20-F22 HydrophobicContact SD-CD2 4.14Å; M20-F22 HydrophobicContact SD-CE2 4.04Å; F22-F92 HydrophobicContact CD2-CE1 4.25Å; F22-F92 AromaticContact CE2-CE1 3.89Å; F22-F92 HydrophobicContact CE2-CE1 3.89Å
23K82Confident90.5Very high159 Ų15954 Ų5469%0.69129%0.288SS*.  trans-87.3-31.3178.1-63.9-175.2-180-179.40113.6N3 G21N3-K23 PolarHBondContact OD1-O 2.91Å; G21-K23 PolarHBondContact O-N 2.67Å
24E87.5Confident90.6Very high101 Ų10155.9 Ų55.947%0.47230%0.3SS..SBendtrans-135.4142.9-173.9-63.7-171.5170.100111.8M1M1-E24 WeakPolarHBondContact CE-OE1 3.29Å; M1-E24 WeakPolarHBondContact CE-OE2 2.96Å; M1-E24 WeakPolarHBondContact CG-OE1 3.29Å
25P91.1Very high90.7Very high19 Ų1959.1 Ų59.112%0.12331%0.312CS..  trans-72.2138.5176.629.9-33.7000111.3Q2 F4 L7 Q29Q2-P25 WeakPolarHBondContact O-CD 3.36Å; Q2-P25 WeakPolarHBondContact O-CG 3.4Å; F4-P25 HydrophobicContact CD1-CB 4.2Å; F4-P25 HydrophobicContact CE1-CB 3.73Å; F4-P25 HydrophobicContact CZ-CB 3.94Å; L7-P25 HydrophobicContact CD1-CB 3.74Å; L7-P25 HydrophobicContact CD1-CG 3.79Å; P25-Q29 VanDerWaalsContact CA-OE1 3.3Å; P25-Q29 HydrophobicContact CB-CB 3.93Å
26T88.9Confident90.9Very high43 Ų4353.2 Ų53.226%0.26428%0.284SS..  trans-67162170.472.20000111I28 Q29 K30 T50T26-I28 VanDerWaalsContact C-N 3.29Å; T26-I28 PolarHBondContact O-N 3.41Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.42Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 WeakPolarHBondContact O-CB 3.12Å; T26-Q29 PolarHBondContact O-N 3.08Å; T26-Q29 VanDerWaalsContact OG1-CD 3.3Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.38Å; T26-K30 PolarHBondContact O-N 3.45Å; T26-T50 WeakPolarHBondContact CB-O 3.49Å; T26-T50 PolarHBondContact OG1-O 2.8Å
27P88Confident91.1Very high93 Ų9355.2 Ų55.260%0.60429%0.294SS*.Hα-helixtrans-52.4-43.4-179.8-29.936.5000113.9Q29 K30 D31 T205P27-Q29 VanDerWaalsContact C-N 3.33Å; P27-Q29 PolarHBondContact O-N 3.15Å; P27-K30 PolarHBondContact O-N 3.21Å; P27-D31 WeakPolarHBondContact O-CB 3.48Å; P27-D31 PolarHBondContact O-N 3.38Å; P27-T205 HydrophobicContact CB-CG2 4.1Å
28I88.9Confident91.2Very high1 Ų161.5 Ų61.51%0.00532%0.324CS..Hα-helixtrans-65.2-36.3176.9-174.8154.6000112.3T26 S32 A46 T50 K52 A55 F181 I203 T205T26-I28 VanDerWaalsContact C-N 3.29Å; T26-I28 PolarHBondContact O-N 3.41Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.42Å; I28-S32 WeakPolarHBondContact O-CB 3.43Å; I28-S32 PolarHBondContact O-N 3.25Å; I28-S32 PolarHBondContact O-OG 3.14Å; I28-A46 HydrophobicContact CD1-CB 3.42Å; I28-A46 VanDerWaalsContact CD1-CB 3.42Å; I28-T50 WeakPolarHBondContact CG2-O 3.39Å; I28-K52 HydrophobicContact CD1-CG 4.04Å; I28-A55 HydrophobicContact CG1-CB 4.03Å; I28-A55 HydrophobicContact CG2-CB 4.31Å; I28-F181 HydrophobicContact CD1-CD1 4.23Å; I28-F181 HydrophobicContact CD1-CE1 4.17Å; I28-I203 HydrophobicContact CG1-CG2 4.41Å; I28-T205 HydrophobicContact CB-CG2 3.79Å
29Q93.1Very high91.4Very high15 Ų1558.2 Ų58.27%0.0732%0.317CS..Hα-helixtrans-68.5-44.8177.5-68.5167.22.400111.1P25 T26 P27 D31 S32 I33 G51 A55P25-Q29 VanDerWaalsContact CA-OE1 3.3Å; P25-Q29 HydrophobicContact CB-CB 3.93Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 WeakPolarHBondContact O-CB 3.12Å; T26-Q29 PolarHBondContact O-N 3.08Å; T26-Q29 VanDerWaalsContact OG1-CD 3.3Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.38Å; P27-Q29 VanDerWaalsContact C-N 3.33Å; P27-Q29 PolarHBondContact O-N 3.15Å; Q29-D31 VanDerWaalsContact C-N 3.27Å; Q29-D31 PolarHBondContact O-N 3.04Å; Q29-S32 PolarHBondContact O-N 3.28Å; Q29-I33 HydrophobicContact CB-CD1 3.85Å; Q29-I33 HydrophobicContact CB-CG1 4.42Å; Q29-I33 VanDerWaalsContact O-CB 3.23Å; Q29-I33 WeakPolarHBondContact O-CB 3.47Å; Q29-I33 WeakPolarHBondContact O-CG1 3.26Å; Q29-I33 PolarHBondContact O-N 2.85Å; Q29-G51 PolarHBondContact NE2-O 2.81Å; Q29-A55 HydrophobicContact CG-CB 3.98Å
30K92.3Very high91.8Very high98 Ų9857 Ų5743%0.42630%0.303SS..Hα-helixtrans-57.5-43.9176.5-172.2-172.5-177.6-170.60111.4L7 T26 P27 P34L7-K30 HydrophobicContact CD2-CG 4.36Å; T26-K30 PolarHBondContact O-N 3.45Å; P27-K30 PolarHBondContact O-N 3.21Å; K30-P34 VanDerWaalsContact O-CD 3.3Å; K30-P34 WeakPolarHBondContact O-CD 3.23Å
31D92Very high92.3Very high80 Ų8054.4 Ų54.443%0.42829%0.291SS..Hα-helixtrans-81.8-19.6-176.4-69.8-12.2000113.2P27 Q29 Y35 I203P27-D31 WeakPolarHBondContact O-CB 3.48Å; P27-D31 PolarHBondContact O-N 3.38Å; Q29-D31 VanDerWaalsContact C-N 3.27Å; Q29-D31 PolarHBondContact O-N 3.04Å; D31-Y35 WeakPolarHBondContact O-CD2 3.32Å; D31-Y35 VanDerWaalsContact O-CE2 3.32Å; D31-Y35 WeakPolarHBondContact O-CE2 3.45Å; D31-I203 HydrophobicContact CB-CG2 3.8Å; D31-I203 WeakPolarHBondContact O-CD1 3.48Å
32S95Very high92.9Very high0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-101.3-40.8-176.876.50000114.5I28 Q29 Y35 A36 I42 A55 I203I28-S32 WeakPolarHBondContact O-CB 3.43Å; I28-S32 PolarHBondContact O-N 3.25Å; I28-S32 PolarHBondContact O-OG 3.14Å; Q29-S32 PolarHBondContact O-N 3.28Å; S32-Y35 PolarHBondContact O-N 2.93Å; S32-A36 WeakPolarHBondContact O-CB 3.16Å; S32-A36 PolarHBondContact O-N 3.01Å; S32-I42 WeakPolarHBondContact O-CD1 3.12Å; S32-A55 WeakPolarHBondContact OG-CA 3.32Å; S32-A55 VanDerWaalsContact OG-CB 3.3Å; S32-A55 WeakPolarHBondContact OG-CB 3.32Å; S32-A55 PolarHBondContact OG-O 3.39Å; S32-I203 VanDerWaalsContact CB-CD1 3.42Å
33I96.8Very high93.5Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-56.9-46.5-169.1-72.6174.7000112F4 L7 I9 Q29 Y35 A36 L37 I58 P59F4-I33 HydrophobicContact CD1-CD1 4.24Å; F4-I33 HydrophobicContact CE1-CD1 4.12Å; L7-I33 HydrophobicContact CB-CG2 3.94Å; L7-I33 HydrophobicContact CD1-CB 4.25Å; L7-I33 HydrophobicContact CD1-CD1 4.01Å; L7-I33 HydrophobicContact CD1-CG2 4.4Å; I9-I33 HydrophobicContact CD1-CG2 3.67Å; I9-I33 HydrophobicContact CG1-CG2 4.18Å; Q29-I33 HydrophobicContact CB-CD1 3.85Å; Q29-I33 HydrophobicContact CB-CG1 4.42Å; Q29-I33 VanDerWaalsContact O-CB 3.23Å; Q29-I33 WeakPolarHBondContact O-CB 3.47Å; Q29-I33 WeakPolarHBondContact O-CG1 3.26Å; Q29-I33 PolarHBondContact O-N 2.85Å; I33-Y35 PolarHBondContact O-N 2.62Å; I33-A36 WeakPolarHBondContact O-CB 3.2Å; I33-A36 PolarHBondContact O-N 3.16Å; I33-A36 VanDerWaalsContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CG 3.06Å; I33-L37 PolarHBondContact O-N 3.38Å; I33-I58 HydrophobicContact CD1-CB 4.38Å; I33-I58 HydrophobicContact CD1-CD1 4.25Å; I33-I58 HydrophobicContact CD1-CG2 4.39Å; I33-P59 HydrophobicContact CG1-CG 4.34Å
34P95.8Very high94.1Very high39 Ų3940.9 Ų40.925%0.25322%0.217SC..Hα-helixtrans-59.5-42.5-180-26.636.4000113.4L7 K30 Q38L7-P34 HydrophobicContact CD2-CG 4.2Å; K30-P34 VanDerWaalsContact O-CD 3.3Å; K30-P34 WeakPolarHBondContact O-CD 3.23Å; P34-Q38 VanDerWaalsContact O-CG 3.29Å; P34-Q38 WeakPolarHBondContact O-CG 3.21Å; P34-Q38 PolarHBondContact O-N 3.41Å; P34-Q38 PolarHBondContact O-NE2 2.9Å
35Y96.3Very high94.2Very high77 Ų7738.4 Ų38.430%0.30221%0.206SC..Hα-helixtrans-72.5-35.2177.4-58.6-70.3000111.8D31 S32 I33 Q38 G39 I40 K201D31-Y35 WeakPolarHBondContact O-CD2 3.32Å; D31-Y35 VanDerWaalsContact O-CE2 3.32Å; D31-Y35 WeakPolarHBondContact O-CE2 3.45Å; S32-Y35 PolarHBondContact O-N 2.93Å; I33-Y35 PolarHBondContact O-N 2.62Å; Y35-Q38 PolarHBondContact O-N 3.22Å; Y35-G39 PolarHBondContact O-N 2.67Å; Y35-I40 HydrophobicContact CD1-CD1 3.99Å; Y35-I40 PolarHBondContact O-N 3.38Å; Y35-I40 VanDerWaalsContact O-N 3.16Å; Y35-K201 HydrophobicContact CD1-CG 4.38Å; Y35-K201 HydrophobicContact CD2-CD 4.4Å; Y35-K201 HydrophobicContact CD2-CG 3.78Å; Y35-K201 HydrophobicContact CE1-CD 4.28Å; Y35-K201 HydrophobicContact CE2-CD 4.05Å; Y35-K201 HydrophobicContact CE2-CG 3.9Å; Y35-K201 HydrophobicContact CG-CB 4.38Å; Y35-K201 HydrophobicContact CG-CG 4.02Å; Y35-K201 PolarHBondContact OH-NZ 3.42Å
36A97.4Very high93.7Very high1 Ų137.7 Ų37.71%0.00820%0.201CC..Hα-helixtrans-62.2-46.5177.600000109.8S32 I33 Q38 G39 I42 P59 K63 Q177 M179S32-A36 WeakPolarHBondContact O-CB 3.16Å; S32-A36 PolarHBondContact O-N 3.01Å; I33-A36 WeakPolarHBondContact O-CB 3.2Å; I33-A36 PolarHBondContact O-N 3.16Å; I33-A36 VanDerWaalsContact O-N 3.15Å; A36-Q38 VanDerWaalsContact C-N 3.31Å; A36-Q38 PolarHBondContact O-N 3.03Å; A36-G39 PolarHBondContact O-N 3.09Å; A36-G39 VanDerWaalsContact O-N 3.08Å; A36-I42 HydrophobicContact CB-CD1 3.67Å; A36-P59 HydrophobicContact CB-CB 3.63Å; A36-P59 HydrophobicContact CB-CG 3.42Å; A36-P59 VanDerWaalsContact CB-CG 3.42Å; A36-K63 WeakPolarHBondContact O-CE 3.34Å; A36-K63 PolarHBondContact O-NZ 3.23Å; A36-Q177 PolarHBondContact O-NE2 2.86Å; A36-M179 HydrophobicContact CB-SD 3.98Å
37L96.8Very high93Very high51 Ų5140.3 Ų40.327%0.26721%0.211SC..Hα-helixtrans-58.9-40.3175.2-69.8173.4000112.3L7 I9 I33 G39 P59 E62L7-L37 VanDerWaalsContact O-CD1 3.31Å; L7-L37 WeakPolarHBondContact O-CD1 3.18Å; I9-L37 HydrophobicContact CD1-CD1 4.09Å; I9-L37 HydrophobicContact CD1-CD2 4.34Å; I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CG 3.06Å; I33-L37 PolarHBondContact O-N 3.38Å; L37-G39 PolarHBondContact O-N 3.17Å; L37-G39 VanDerWaalsContact O-N 3.17Å; L37-P59 HydrophobicContact CD2-CB 3.73Å; L37-P59 HydrophobicContact CG-CB 3.96Å; L37-E62 HydrophobicContact CD2-CB 3.84Å; L37-E62 HydrophobicContact CD2-CG 4.06Å
38Q95.5Very high92.1Very high133 Ų13339.1 Ų39.162%0.62120%0.201SC*.THydrogen-bonded Turntrans-68.2-9.5177.1-69.4170.833.200114.2P34 Y35 A36 I40P34-Q38 VanDerWaalsContact O-CG 3.29Å; P34-Q38 WeakPolarHBondContact O-CG 3.21Å; P34-Q38 PolarHBondContact O-N 3.41Å; P34-Q38 PolarHBondContact O-NE2 2.9Å; Y35-Q38 PolarHBondContact O-N 3.22Å; A36-Q38 VanDerWaalsContact C-N 3.31Å; A36-Q38 PolarHBondContact O-N 3.03Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 HydrophobicContact CB-CD1 4.02Å; Q38-I40 HydrophobicContact CB-CG1 4.16Å
39G96Very high91Very high32 Ų3242.1 Ų42.133%0.3323%0.233SC..THydrogen-bonded Turntrans80.813.8-178.800000114.1Y35 A36 L37 Q177Y35-G39 PolarHBondContact O-N 2.67Å; A36-G39 PolarHBondContact O-N 3.09Å; A36-G39 VanDerWaalsContact O-N 3.08Å; L37-G39 PolarHBondContact O-N 3.17Å; L37-G39 VanDerWaalsContact O-N 3.17Å; G39-Q177 WeakPolarHBondContact O-CG 3.35Å
40I97.1Very high90Very high59 Ų5942.5 Ų42.530%0.30324%0.236SC..  trans-77.4139.3176.5-63.2166.7000108.9Y35 Q38 Q177 K201Y35-I40 HydrophobicContact CD1-CD1 3.99Å; Y35-I40 PolarHBondContact O-N 3.38Å; Y35-I40 VanDerWaalsContact O-N 3.16Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 HydrophobicContact CB-CD1 4.02Å; Q38-I40 HydrophobicContact CB-CG1 4.16Å; I40-Q177 PolarHBondContact O-NE2 3.45Å; I40-K201 HydrophobicContact CG2-CB 4.27Å
41D98.3Very high89.6Confident5 Ų539 Ų393%0.02723%0.227CC..  trans-62.5143.8174.9-8113.1000110.8Q177 T178 M197 K198 P200 K201D41-Q177 VanDerWaalsContact OD1-CA 3.3Å; D41-Q177 WeakPolarHBondContact OD1-CA 3.2Å; D41-T178 CarbonylContact C-O 3.53Å; D41-T178 WeakPolarHBondContact CA-O 3.47Å; D41-T178 WeakPolarHBondContact CB-O 2.95Å; D41-T178 PolarHBondContact OD1-N 3.22Å; D41-M197 HydrophobicContact CB-CB 4.39Å; D41-M197 HydrophobicContact CB-CE 4.02Å; D41-M197 WeakPolarHBondContact OD2-CA 3.47Å; D41-M197 WeakPolarHBondContact OD2-CB 3.16Å; D41-K198 PolarHBondContact OD2-N 3.38Å; D41-P200 HydrophobicContact CB-CB 3.94Å; D41-P200 CarbonylContact O-C 3.43Å; D41-P200 VanDerWaalsContact O-CA 3.23Å; D41-P200 WeakPolarHBondContact O-CA 3.32Å; D41-K201 PolarHBondContact O-N 3.28Å
42I98.1Very high89.4Confident0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-127.4129-175.9-63.7-179.9000110.4S32 A36 T178 M179 L180 F181 M197 I203S32-I42 WeakPolarHBondContact O-CD1 3.12Å; A36-I42 HydrophobicContact CB-CD1 3.67Å; I42-T178 PolarHBondContact N-O 3.34Å; I42-M179 HydrophobicContact CB-CB 4.27Å; I42-M179 HydrophobicContact CB-CG 4.02Å; I42-M179 HydrophobicContact CD1-CG 4.49Å; I42-M179 HydrophobicContact CD1-SD 4.15Å; I42-M179 HydrophobicContact CG1-CG 4.35Å; I42-M179 CarbonylContact O-C 3.47Å; I42-M179 WeakPolarHBondContact O-CA 3.34Å; I42-L180 PolarHBondContact O-N 2.76Å; I42-F181 HydrophobicContact CG2-CZ 4.34Å; I42-M197 WeakPolarHBondContact O-CE 3.3Å; I42-I203 HydrophobicContact CG2-CD1 3.78Å; I42-I203 HydrophobicContact CG2-CG1 4.46Å
43L96.7Very high89.3Confident11 Ų1136.6 Ų36.66%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-105.9100163.9175.961.3000108.5L180 M185 V193 P200 K201 I202 I203L43-L180 WeakPolarHBondContact CA-O 3.39Å; L43-L180 HydrophobicContact CD1-CB 4.33Å; L43-L180 HydrophobicContact CD1-CD2 3.59Å; L43-L180 HydrophobicContact CD1-CG 4.49Å; L43-M185 HydrophobicContact CD1-CE 4.12Å; L43-M185 HydrophobicContact CD1-SD 3.9Å; L43-M185 HydrophobicContact CD2-CE 3.78Å; L43-M185 HydrophobicContact CD2-SD 4.29Å; L43-V193 HydrophobicContact CD1-CG2 3.92Å; L43-V193 HydrophobicContact CD2-CG1 4.28Å; L43-V193 HydrophobicContact CD2-CG2 4.2Å; L43-P200 HydrophobicContact CB-CB 4.37Å; L43-K201 PolarHBondContact N-O 3.4Å; L43-I202 HydrophobicContact CB-CG1 4.45Å; L43-I202 HydrophobicContact CD2-CG1 4.27Å; L43-I202 HydrophobicContact CD2-CG2 4.43Å; L43-I203 PolarHBondContact O-N 3.03Å
44G94.3Very high89.1Confident0 Ų036.7 Ų36.70%022%0.216CC..EExtended strand (participates in β ladder)trans-94.7106.9178.300000111.6L180 F181 S182G44-L180 PolarHBondContact N-O 2.84Å; G44-F181 VanDerWaalsContact O-CA 3.29Å; G44-F181 WeakPolarHBondContact O-CA 3.31Å; G44-S182 PolarHBondContact O-N 3.13Å
45Q89Confident89.1Confident50 Ų5034.9 Ų34.923%0.23420%0.204CC..EExtended strand (participates in β ladder)trans-96107.2171.9-166.8179.63.900110.2S182 A183 M185 I203 K204 T205Q45-S182 VanDerWaalsContact CA-O 3.29Å; Q45-S182 WeakPolarHBondContact CA-O 3.3Å; Q45-A183 PolarHBondContact NE2-O 3.15Å; Q45-M185 HydrophobicContact CG-CG 4.41Å; Q45-I203 PolarHBondContact N-O 3.33Å; Q45-K204 HydrophobicContact CB-CG 4.16Å; Q45-T205 PolarHBondContact O-N 2.89Å
46A81.8Confident89.1Confident3 Ų331.2 Ų31.23%0.02519%0.19CC..  trans-156.6149.8179.800000112.7I28 T50 K52 S182 T205I28-A46 HydrophobicContact CD1-CB 3.42Å; I28-A46 VanDerWaalsContact CD1-CB 3.42Å; A46-T50 HydrophobicContact CB-CG2 4.41Å; A46-T50 WeakPolarHBondContact CB-OG1 3.47Å; A46-K52 HydrophobicContact CB-CD 4.14Å; A46-K52 HydrophobicContact CB-CG 4.18Å; A46-S182 PolarHBondContact N-O 3.17Å; A46-S182 VanDerWaalsContact N-O 3.14Å; A46-T205 WeakPolarHBondContact CB-OG1 3.44Å
47Q73.6Confident89.1Confident99 Ų9931.1 Ų31.146%0.46319%0.189SC..  trans-69.2168.4174.3-66.7-175.6-13.100112.1T50 K52 N207Q47-T50 HydrophobicContact CB-CG2 4.36Å; Q47-T50 WeakPolarHBondContact O-CG2 3.35Å; Q47-T50 PolarHBondContact O-OG1 2.85Å; Q47-K52 WeakPolarHBondContact O-CE 3.14Å; Q47-N207 PolarHBondContact OE1-ND2 2.93Å
48T68.5Low89.2Confident67 Ų6728.8 Ų28.841%0.41118%0.177SC..THydrogen-bonded Turntrans-60.9153.6172.748.20000111T50T48-T50 PolarHBondContact O-N 3.34Å
49G67.5Low89.3Confident64 Ų6422.5 Ų22.566%0.6615%0.147SC*.THydrogen-bonded Turntrans74.5-0.4177.900000116.3G51G49-G51 VanDerWaalsContact C-N 3.27Å; G49-G51 PolarHBondContact O-N 2.92Å
50T72Confident89.4Confident23 Ų2321 Ų2114%0.14113%0.132CC..SBendtrans-80.5-0.5-179.354.50000114.7T26 I28 A46 Q47 T48T26-T50 WeakPolarHBondContact CB-O 3.49Å; T26-T50 PolarHBondContact OG1-O 2.8Å; I28-T50 WeakPolarHBondContact CG2-O 3.39Å; A46-T50 HydrophobicContact CB-CG2 4.41Å; A46-T50 WeakPolarHBondContact CB-OG1 3.47Å; Q47-T50 HydrophobicContact CB-CG2 4.36Å; Q47-T50 WeakPolarHBondContact O-CG2 3.35Å; Q47-T50 PolarHBondContact O-OG1 2.85Å; T48-T50 PolarHBondContact O-N 3.34Å
51G82.4Confident89.4Confident24 Ų2418.1 Ų18.125%0.24712%0.117CC..SBendtrans89.520.8-177.300000115Q29 G49 T53 G54 A55Q29-G51 PolarHBondContact NE2-O 2.81Å; G49-G51 VanDerWaalsContact C-N 3.27Å; G49-G51 PolarHBondContact O-N 2.92Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 3.08Å; G51-G54 PolarHBondContact O-N 3.45Å; G51-A55 PolarHBondContact O-N 3.21Å; G51-A55 VanDerWaalsContact O-N 3.14Å
52K88.4Confident89.3Confident15 Ų1520.4 Ų20.47%0.06513%0.128CC..Hα-helixtrans-49.8-43.5178-69.7-173.2-70.9175.30113.8I28 A46 Q47 G54 A55 F56 F181I28-K52 HydrophobicContact CD1-CG 4.04Å; A46-K52 HydrophobicContact CB-CD 4.14Å; A46-K52 HydrophobicContact CB-CG 4.18Å; Q47-K52 WeakPolarHBondContact O-CE 3.14Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-G54 PolarHBondContact O-N 3.39Å; K52-A55 WeakPolarHBondContact O-CA 3.33Å; K52-A55 WeakPolarHBondContact O-CB 3.32Å; K52-A55 PolarHBondContact O-N 3.39Å; K52-F56 WeakPolarHBondContact O-CD1 3.38Å; K52-F56 WeakPolarHBondContact O-CE1 3.48Å; K52-F56 PolarHBondContact O-N 3.05Å; K52-F181 HydrophobicContact CB-CD1 4.4Å; K52-F181 HydrophobicContact CD-CB 4.21Å; K52-F181 HydrophobicContact CD-CD1 4.36Å; K52-F181 HydrophobicContact CG-CD1 4.27Å
53T92.4Very high89.2Confident15 Ų1522.5 Ų22.59%0.09214%0.137CC..Hα-helixtrans-61.9-37.5179.7-43.20000112.8G51 A55 F56 G57 V85 Q88 F92G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 3.08Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CZ 3.76Å; T53-G57 WeakPolarHBondContact O-CA 3.17Å; T53-G57 PolarHBondContact O-N 2.98Å; T53-V85 HydrophobicContact CG2-CB 4.48Å; T53-V85 HydrophobicContact CG2-CG1 4.25Å; T53-V85 HydrophobicContact CG2-CG2 4.24Å; T53-Q88 HydrophobicContact CG2-CB 4.02Å; T53-Q88 PolarHBondContact OG1-OE1 2.75Å; T53-F92 HydrophobicContact CG2-CE2 4.48Å
54G94.1Very high89.2Confident3 Ų322 Ų223%0.03113%0.134CC..Hα-helixtrans-66.7-36.2172.100000112.1G51 K52 F56 G57 I58G51-G54 PolarHBondContact O-N 3.45Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-G54 PolarHBondContact O-N 3.39Å; G54-F56 VanDerWaalsContact C-N 3.31Å; G54-F56 PolarHBondContact O-N 3.19Å; G54-G57 PolarHBondContact O-N 3.43Å; G54-I58 WeakPolarHBondContact O-CB 3.45Å; G54-I58 WeakPolarHBondContact O-CD1 3.33Å; G54-I58 WeakPolarHBondContact O-CG1 3.5Å; G54-I58 PolarHBondContact O-N 2.95Å; G54-I58 VanDerWaalsContact O-N 3.14Å
55A95.2Very high89.2Confident0 Ų024.5 Ų24.50%015%0.149CC..Hα-helixtrans-62-33.9-175.800000113.5I28 Q29 S32 G51 K52 T53 P59 F181I28-A55 HydrophobicContact CG1-CB 4.03Å; I28-A55 HydrophobicContact CG2-CB 4.31Å; Q29-A55 HydrophobicContact CG-CB 3.98Å; S32-A55 WeakPolarHBondContact OG-CA 3.32Å; S32-A55 VanDerWaalsContact OG-CB 3.3Å; S32-A55 WeakPolarHBondContact OG-CB 3.32Å; S32-A55 PolarHBondContact OG-O 3.39Å; G51-A55 PolarHBondContact O-N 3.21Å; G51-A55 VanDerWaalsContact O-N 3.14Å; K52-A55 WeakPolarHBondContact O-CA 3.33Å; K52-A55 WeakPolarHBondContact O-CB 3.32Å; K52-A55 PolarHBondContact O-N 3.39Å; T53-A55 VanDerWaalsContact C-N 3.32Å; A55-P59 WeakPolarHBondContact O-CG 3.16Å; A55-F181 HydrophobicContact CB-CE1 4.13Å; A55-F181 HydrophobicContact CB-CZ 4.4Å
56F97Very high89.4Confident0 Ų025.5 Ų25.50%017%0.173CC..Hα-helixtrans-103.5-31171.863.2-107.1000114K52 T53 G54 P59 L60 I74 V85 I148 D150 M179 F181K52-F56 WeakPolarHBondContact O-CD1 3.38Å; K52-F56 WeakPolarHBondContact O-CE1 3.48Å; K52-F56 PolarHBondContact O-N 3.05Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CZ 3.76Å; G54-F56 VanDerWaalsContact C-N 3.31Å; G54-F56 PolarHBondContact O-N 3.19Å; F56-P59 WeakPolarHBondContact O-CG 3.39Å; F56-L60 WeakPolarHBondContact O-CB 3.49Å; F56-L60 PolarHBondContact O-N 2.97Å; F56-L60 VanDerWaalsContact O-N 3.15Å; F56-I74 HydrophobicContact CD2-CD1 4.37Å; F56-I74 HydrophobicContact CE2-CD1 3.98Å; F56-V85 HydrophobicContact CE2-CG1 3.96Å; F56-V85 HydrophobicContact CZ-CG1 4.07Å; F56-V85 HydrophobicContact CZ-CG2 4.34Å; F56-I148 HydrophobicContact CB-CD1 4.15Å; F56-I148 HydrophobicContact CB-CG1 4.37Å; F56-I148 HydrophobicContact CB-CG2 4.39Å; F56-I148 HydrophobicContact CD1-CG2 4.09Å; F56-I148 HydrophobicContact CD2-CD1 3.78Å; F56-I148 HydrophobicContact CD2-CG1 4.5Å; F56-I148 HydrophobicContact CD2-CG2 4.03Å; F56-I148 HydrophobicContact CE1-CG2 4.31Å; F56-I148 HydrophobicContact CE2-CG2 4.3Å; F56-I148 HydrophobicContact CG-CD1 4.24Å; F56-I148 HydrophobicContact CG-CG2 3.93Å; F56-I148 HydrophobicContact CZ-CG2 4.41Å; F56-D150 HydrophobicContact CE1-CB 4.31Å; F56-D150 HydrophobicContact CZ-CB 4.46Å; F56-M179 HydrophobicContact CB-CE 4.26Å; F56-M179 HydrophobicContact CB-SD 4.22Å; F56-F181 HydrophobicContact CB-CD2 4.5Å; F56-F181 HydrophobicContact CB-CE2 3.58Å; F56-F181 HydrophobicContact CB-CZ 3.87Å; F56-F181 AromaticContact CD1-CD2 3.72Å; F56-F181 HydrophobicContact CD1-CD2 3.72Å; F56-F181 AromaticContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CG 4.32Å; F56-F181 HydrophobicContact CD1-CZ 4.06Å; F56-F181 HydrophobicContact CE1-CD2 4.42Å; F56-F181 HydrophobicContact CG-CD2 4.5Å; F56-F181 HydrophobicContact CG-CE2 4.01Å; F56-F181 HydrophobicContact CG-CZ 4.49Å
57G97.4Very high90.1Very high0 Ų030.5 Ų30.50%019%0.194CC..Hα-helixtrans-75.2-43.6-169.900000112.8T53 G54 L60 I61 L89T53-G57 WeakPolarHBondContact O-CA 3.17Å; T53-G57 PolarHBondContact O-N 2.98Å; G54-G57 PolarHBondContact O-N 3.43Å; G57-L60 WeakPolarHBondContact O-CB 3.39Å; G57-L60 PolarHBondContact O-N 2.89Å; G57-I61 WeakPolarHBondContact O-CG1 3.48Å; G57-I61 PolarHBondContact O-N 2.89Å; G57-L89 VanDerWaalsContact CA-CD2 3.44Å
58I97.5Very high91Very high1 Ų133.2 Ų33.21%0.00521%0.207CC..Hα-helixtrans-58.7-55178-63.4168.3000111.4F4 I9 T13 L17 I33 G54 L60 I61 E62 F92F4-I58 HydrophobicContact CD1-CD1 4.11Å; F4-I58 HydrophobicContact CE1-CD1 3.49Å; F4-I58 VanDerWaalsContact CE1-CD1 3.49Å; F4-I58 HydrophobicContact CZ-CD1 4.13Å; I9-I58 HydrophobicContact CD1-CG2 3.52Å; I9-I58 HydrophobicContact CG1-CG2 3.79Å; I9-I58 HydrophobicContact CG2-CG2 4.02Å; T13-I58 HydrophobicContact CG2-CG2 4.03Å; L17-I58 HydrophobicContact CD1-CD1 3.79Å; L17-I58 HydrophobicContact CD1-CG1 4.18Å; L17-I58 HydrophobicContact CD1-CG2 4.22Å; L17-I58 HydrophobicContact CD2-CD1 3.8Å; L17-I58 HydrophobicContact CD2-CG1 4.01Å; L17-I58 HydrophobicContact CG-CD1 4.46Å; I33-I58 HydrophobicContact CD1-CB 4.38Å; I33-I58 HydrophobicContact CD1-CD1 4.25Å; I33-I58 HydrophobicContact CD1-CG2 4.39Å; G54-I58 WeakPolarHBondContact O-CB 3.45Å; G54-I58 WeakPolarHBondContact O-CD1 3.33Å; G54-I58 WeakPolarHBondContact O-CG1 3.5Å; G54-I58 PolarHBondContact O-N 2.95Å; G54-I58 VanDerWaalsContact O-N 3.14Å; I58-L60 PolarHBondContact O-N 3.45Å; I58-I61 PolarHBondContact O-N 2.83Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I58-E62 PolarHBondContact O-N 3.14Å; I58-F92 HydrophobicContact CG1-CD2 4.19Å; I58-F92 HydrophobicContact CG1-CE2 4.24Å; I58-F92 HydrophobicContact CG1-CG 4.44Å
59P97.6Very high92.3Very high1 Ų131.1 Ų31.11%0.00620%0.199CC..Hα-helixtrans-68.5-22.7178.227.1-35.2000112.6I33 A36 L37 A55 F56 K63I33-P59 HydrophobicContact CG1-CG 4.34Å; A36-P59 HydrophobicContact CB-CB 3.63Å; A36-P59 HydrophobicContact CB-CG 3.42Å; A36-P59 VanDerWaalsContact CB-CG 3.42Å; L37-P59 HydrophobicContact CD2-CB 3.73Å; L37-P59 HydrophobicContact CG-CB 3.96Å; A55-P59 WeakPolarHBondContact O-CG 3.16Å; F56-P59 WeakPolarHBondContact O-CG 3.39Å; P59-K63 WeakPolarHBondContact O-CG 3.39Å; P59-K63 PolarHBondContact O-N 3.44Å
60L98Very high93.7Very high0 Ų029 Ų290%017%0.173CC..Hα-helixtrans-66.5-43171.617464.4000111.4F56 G57 I58 E62 K63 V64 S72 I74 L89 I122 T146 I148F56-L60 WeakPolarHBondContact O-CB 3.49Å; F56-L60 PolarHBondContact O-N 2.97Å; F56-L60 VanDerWaalsContact O-N 3.15Å; G57-L60 WeakPolarHBondContact O-CB 3.39Å; G57-L60 PolarHBondContact O-N 2.89Å; I58-L60 PolarHBondContact O-N 3.45Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.15Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-K63 VanDerWaalsContact O-N 3.15Å; L60-V64 HydrophobicContact CD1-CG1 3.88Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 2.96Å; L60-S72 VanDerWaalsContact CD1-CB 3.5Å; L60-I74 HydrophobicContact CD2-CD1 3.8Å; L60-I74 HydrophobicContact CD2-CG1 4.41Å; L60-L89 HydrophobicContact CD2-CD2 4.34Å; L60-I122 HydrophobicContact CD2-CD1 3.77Å; L60-I122 HydrophobicContact CD2-CG1 4.27Å; L60-I122 HydrophobicContact CD2-CG2 4.17Å; L60-I122 HydrophobicContact CG-CD1 4Å; L60-T146 HydrophobicContact CD1-CG2 4.08Å; L60-I148 HydrophobicContact CD2-CD1 3.82Å
61I97.9Very high94.9Very high0 Ų029.3 Ų29.30%017%0.173CC..Hα-helixtrans-56.5-50.2176.8-63.7-40000110.1G57 I58 K63 V64 V65 L89 F92 V98 I122G57-I61 WeakPolarHBondContact O-CG1 3.48Å; G57-I61 PolarHBondContact O-N 2.89Å; I58-I61 PolarHBondContact O-N 2.83Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-K63 VanDerWaalsContact O-N 3.08Å; I61-V64 PolarHBondContact O-N 2.97Å; I61-V65 HydrophobicContact CG2-CG2 3.73Å; I61-V65 VanDerWaalsContact O-CG2 3.26Å; I61-V65 WeakPolarHBondContact O-CG2 3.26Å; I61-V65 PolarHBondContact O-N 3.31Å; I61-L89 HydrophobicContact CD1-CD2 4.1Å; I61-F92 HydrophobicContact CG1-CB 3.89Å; I61-V98 HydrophobicContact CD1-CG1 4.41Å; I61-I122 HydrophobicContact CD1-CD1 3.71Å
62E96.9Very high95.7Very high52 Ų5228.2 Ų28.224%0.24316%0.161CC..Hα-helixtrans-53.4-34178.5-65.7-61.8140.800113.3I9 S10 T13 L37 I58 L60I9-E62 HydrophobicContact CD1-CG 4.04Å; S10-E62 WeakPolarHBondContact CB-OE1 3.35Å; S10-E62 VanDerWaalsContact CB-OE2 3.26Å; S10-E62 WeakPolarHBondContact CB-OE2 3.46Å; S10-E62 PolarHBondContact N-OE1 3.39Å; S10-E62 PolarHBondContact OG-OE1 3.29Å; S10-E62 PolarHBondContact OG-OE2 3.3Å; T13-E62 WeakPolarHBondContact CB-OE1 3.46Å; T13-E62 PolarHBondContact OG1-OE1 3.21Å; L37-E62 HydrophobicContact CD2-CB 3.84Å; L37-E62 HydrophobicContact CD2-CG 4.06Å; I58-E62 PolarHBondContact O-N 3.14Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.15Å
63K95.8Very high96.2Very high45 Ų4527.5 Ų27.520%0.19616%0.158CC..Hα-helixtrans-79-28.1-179.4-70.1-180-178.1-153.70114.3A36 P59 L60 I61A36-K63 WeakPolarHBondContact O-CE 3.34Å; A36-K63 PolarHBondContact O-NZ 3.23Å; P59-K63 WeakPolarHBondContact O-CG 3.39Å; P59-K63 PolarHBondContact O-N 3.44Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-K63 VanDerWaalsContact O-N 3.15Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-K63 VanDerWaalsContact O-N 3.08Å
64V96.6Very high96.5Very high0 Ų026.8 Ų26.80%015%0.154CC..Hα-helixtrans-104.7-16.3-171-56.10000113.8L60 I61 G66 K67 Q71 V98 Q121 I122L60-V64 HydrophobicContact CD1-CG1 3.88Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 2.96Å; I61-V64 PolarHBondContact O-N 2.97Å; V64-G66 PolarHBondContact O-N 3.16Å; V64-K67 VanDerWaalsContact O-CB 3.32Å; V64-K67 WeakPolarHBondContact O-CB 3.46Å; V64-K67 PolarHBondContact O-N 2.98Å; V64-Q71 HydrophobicContact CB-CB 4.5Å; V64-Q71 HydrophobicContact CG1-CB 3.75Å; V64-Q71 HydrophobicContact CG1-CG 4.33Å; V64-V98 HydrophobicContact CG2-CG1 3.84Å; V64-V98 HydrophobicContact CG2-CG2 4.16Å; V64-Q121 HydrophobicContact CB-CB 3.99Å; V64-Q121 HydrophobicContact CB-CG 4.49Å; V64-Q121 HydrophobicContact CG2-CB 4.25Å; V64-I122 HydrophobicContact CG2-CD1 4.03Å; V64-I122 HydrophobicContact CG2-CG1 4.11Å
65V94.7Very high96.7Very high52 Ų5226.6 Ų26.632%0.31515%0.152SC..THydrogen-bonded Turntrans-55.6133.4174.9167.90000110.1I61 K67 Q96 V98I61-V65 HydrophobicContact CG2-CG2 3.73Å; I61-V65 VanDerWaalsContact O-CG2 3.26Å; I61-V65 WeakPolarHBondContact O-CG2 3.26Å; I61-V65 PolarHBondContact O-N 3.31Å; V65-K67 PolarHBondContact O-N 3.19Å; V65-Q96 HydrophobicContact CG2-CB 4.01Å; V65-V98 HydrophobicContact CG2-CG2 3.6Å
66G93.3Very high96.7Very high71 Ų7126.6 Ų26.673%0.73215%0.152SC*.THydrogen-bonded Turntrans73.9-2.1-177.300000115.6V64V64-G66 PolarHBondContact O-N 3.16Å
67K94.7Very high96.4Very high109 Ų10926.8 Ų26.847%0.47415%0.153SC..  trans-88.8162.2175.5-54.4-61.6-176.4179.90111.8V64 V65 Q71 Q121V64-K67 VanDerWaalsContact O-CB 3.32Å; V64-K67 WeakPolarHBondContact O-CB 3.46Å; V64-K67 PolarHBondContact O-N 2.98Å; V65-K67 PolarHBondContact O-N 3.19Å; K67-Q71 HydrophobicContact CB-CG 3.87Å; K67-Q71 HydrophobicContact CG-CG 4.49Å; K67-Q121 WeakPolarHBondContact O-CG 3.44Å; K67-Q121 PolarHBondContact O-NE2 3.39Å
68Q93.6Very high95.9Very high155 Ų15527.5 Ų27.572%0.72416%0.158SC*.  trans-122143.6-179.8-64.6-61.9-34.800110.9Q71Q68-Q71 PolarHBondContact O-NE2 3.1Å; Q68-Q71 VanDerWaalsContact O-NE2 3.1Å
69G96Very high95.4Very high23 Ų2328.2 Ų28.224%0.23716%0.16CC..SBendtrans72.4174.8-17900000113.3Q71 G119 P120 Q121G69-Q71 WeakPolarHBondContact O-CG 3.29Å; G69-Q71 PolarHBondContact O-N 3.16Å; G69-Q71 PolarHBondContact O-NE2 3.2Å; G69-Q71 VanDerWaalsContact O-NE2 3.16Å; G69-G119 WeakPolarHBondContact CA-O 3.5Å; G69-G119 PolarHBondContact N-O 3.03Å; G69-P120 CarbonylContact C-O 3.59Å; G69-Q121 WeakPolarHBondContact O-CA 3.41Å
70V97.3Very high94.7Very high21 Ų2129.1 Ų29.113%0.12717%0.165CC..  trans-66.3116.8-173.6-169.50000111.3P120 V123 L139 G143 I144V70-P120 WeakPolarHBondContact CA-O 3.43Å; V70-P120 WeakPolarHBondContact CG2-O 3.38Å; V70-P120 PolarHBondContact N-O 3.07Å; V70-V123 HydrophobicContact CG1-CG2 3.81Å; V70-V123 HydrophobicContact CG2-CG2 4.18Å; V70-L139 HydrophobicContact CG1-CD1 4.09Å; V70-L139 HydrophobicContact CG2-CD1 4.15Å; V70-G143 CarbonylContact O-C 3.54Å; V70-G143 VanDerWaalsContact O-C 3.31Å; V70-I144 HydrophobicContact CB-CG1 4.47Å; V70-I144 HydrophobicContact CG1-CD1 3.93Å; V70-I144 HydrophobicContact CG1-CG1 3.85Å
71Q97.3Very high94.2Very high29 Ų2929.4 Ų29.414%0.13617%0.166CC..  trans-107.8-26.1179.5-61.5-49.9-76.100112.5V64 K67 Q68 G69 Q121 I144 H145 T146V64-Q71 HydrophobicContact CB-CB 4.5Å; V64-Q71 HydrophobicContact CG1-CB 3.75Å; V64-Q71 HydrophobicContact CG1-CG 4.33Å; K67-Q71 HydrophobicContact CB-CG 3.87Å; K67-Q71 HydrophobicContact CG-CG 4.49Å; Q68-Q71 PolarHBondContact O-NE2 3.1Å; Q68-Q71 VanDerWaalsContact O-NE2 3.1Å; G69-Q71 WeakPolarHBondContact O-CG 3.29Å; G69-Q71 PolarHBondContact O-N 3.16Å; G69-Q71 PolarHBondContact O-NE2 3.2Å; G69-Q71 VanDerWaalsContact O-NE2 3.16Å; Q71-Q121 PolarHBondContact N-O 3.34Å; Q71-I144 WeakPolarHBondContact O-CA 3.27Å; Q71-H145 PolarHBondContact O-N 2.96Å; Q71-H145 PolarHBondContact OE1-CD2 3.45Å; Q71-H145 PolarHBondContact OE1-NE2 3.49Å; Q71-T146 PolarHBondContact O-N 3.01Å
72S98.2Very high93.9Very high0 Ų029.4 Ų29.40%017%0.166CC..EExtended strand (participates in β ladder)trans-143147.8-174.9650000113.5L60 Q121 I122 V123 T146L60-S72 VanDerWaalsContact CD1-CB 3.5Å; S72-Q121 PolarHBondContact N-O 3.18Å; S72-Q121 VanDerWaalsContact N-O 3.09Å; S72-Q121 PolarHBondContact OG-O 2.67Å; S72-I122 WeakPolarHBondContact OG-CG1 3.12Å; S72-I122 WeakPolarHBondContact OG-CG2 3.37Å; S72-V123 PolarHBondContact O-N 3.47Å; S72-T146 WeakPolarHBondContact CA-O 3.41Å
73L98.6Very high93.6Very high0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-123132.2172178.866.2000109.5L75 V123 V130 L139 I144 T146 L147 I148 I167 I171L73-L75 HydrophobicContact CD1-CD2 4.37Å; L73-L75 HydrophobicContact CD2-CD2 4.07Å; L73-L75 HydrophobicContact CG-CD2 4.15Å; L73-V123 CarbonylContact C-O 3.59Å; L73-V123 WeakPolarHBondContact CA-O 3.42Å; L73-V123 HydrophobicContact CD1-CB 4.13Å; L73-V123 HydrophobicContact CD1-CG1 3.92Å; L73-V130 HydrophobicContact CD1-CG1 4.33Å; L73-V130 HydrophobicContact CD1-CG2 4.15Å; L73-V130 HydrophobicContact CD2-CG1 3.93Å; L73-L139 HydrophobicContact CD1-CD2 4.4Å; L73-I144 HydrophobicContact CB-CD1 4.26Å; L73-I144 HydrophobicContact CB-CG2 4.34Å; L73-T146 PolarHBondContact N-O 2.74Å; L73-L147 HydrophobicContact CB-CD1 4.07Å; L73-L147 HydrophobicContact CD2-CD1 4Å; L73-L147 HydrophobicContact CG-CD1 4.1Å; L73-L147 WeakPolarHBondContact O-CA 3.48Å; L73-I148 PolarHBondContact O-N 3.19Å; L73-I167 HydrophobicContact CD2-CG2 3.61Å; L73-I171 HydrophobicContact CD2-CD1 3.8Å
74I98.7Very high93.2Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-117.3124172.5-48.6-172.3000108.5F56 L60 V85 L89 I122 V123 V124 G125 I148F56-I74 HydrophobicContact CD2-CD1 4.37Å; F56-I74 HydrophobicContact CE2-CD1 3.98Å; L60-I74 HydrophobicContact CD2-CD1 3.8Å; L60-I74 HydrophobicContact CD2-CG1 4.41Å; I74-V85 HydrophobicContact CD1-CG1 4.05Å; I74-V85 HydrophobicContact CG2-CG1 4.24Å; I74-L89 HydrophobicContact CD1-CD1 3.51Å; I74-I122 HydrophobicContact CD1-CG2 4.18Å; I74-I122 HydrophobicContact CG1-CG2 4.36Å; I74-V123 PolarHBondContact N-O 2.96Å; I74-V124 HydrophobicContact CB-CB 4.39Å; I74-V124 HydrophobicContact CB-CG1 4.08Å; I74-V124 HydrophobicContact CB-CG2 4.18Å; I74-V124 HydrophobicContact CD1-CG2 4.12Å; I74-V124 HydrophobicContact CG1-CG2 4.34Å; I74-V124 HydrophobicContact CG2-CG1 4.26Å; I74-V124 CarbonylContact O-C 3.31Å; I74-V124 WeakPolarHBondContact O-CA 3.48Å; I74-G125 PolarHBondContact O-N 2.95Å; I74-I148 CarbonylContact C-O 3.57Å; I74-I148 WeakPolarHBondContact CA-O 3.37Å; I74-I148 HydrophobicContact CB-CB 4.33Å; I74-I148 HydrophobicContact CD1-CD1 3.88Å; I74-I148 HydrophobicContact CG1-CB 4.08Å; I74-I148 HydrophobicContact CG1-CD1 3.86Å; I74-I148 HydrophobicContact CG2-CB 4.03Å; I74-I148 HydrophobicContact CG2-CG2 3.94Å
75L98.6Very high93.1Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-97.4131.9172.6-59.7-176.9000109.9L73 G125 V130 L147 I148 D150 M155 M164 I167L73-L75 HydrophobicContact CD1-CD2 4.37Å; L73-L75 HydrophobicContact CD2-CD2 4.07Å; L73-L75 HydrophobicContact CG-CD2 4.15Å; L75-G125 WeakPolarHBondContact CA-O 3.39Å; L75-V130 HydrophobicContact CD2-CB 4.34Å; L75-V130 HydrophobicContact CD2-CG1 4.36Å; L75-V130 HydrophobicContact CD2-CG2 3.88Å; L75-L147 HydrophobicContact CG-CD1 4.45Å; L75-I148 PolarHBondContact N-O 2.93Å; L75-D150 PolarHBondContact O-N 2.83Å; L75-M155 HydrophobicContact CB-CE 4.16Å; L75-M155 HydrophobicContact CB-SD 3.93Å; L75-M164 HydrophobicContact CD1-CG 4.39Å; L75-I167 HydrophobicContact CD1-CB 4.31Å; L75-I167 HydrophobicContact CD1-CD1 3.81Å; L75-I167 HydrophobicContact CD1-CG2 4.04Å; L75-I167 HydrophobicContact CD2-CD1 3.91Å; L75-I167 HydrophobicContact CD2-CG2 4.44Å
76A95.8Very high93.2Very high0 Ų026.9 Ų26.90%015%0.152CC..  trans-131.6146.5173.500000110.2T78 L81 A82 G125A76-T78 VanDerWaalsContact C-N 3.34Å; A76-T78 PolarHBondContact O-N 3.09Å; A76-L81 HydrophobicContact CB-CB 4.25Å; A76-L81 HydrophobicContact CB-CD2 4.07Å; A76-L81 HydrophobicContact CB-CG 4.01Å; A76-A82 HydrophobicContact CB-CB 4.16Å; A76-G125 PolarHBondContact N-O 3.32Å
77P89.4Confident93.3Very high4 Ų427.5 Ų27.53%0.02614%0.136CC..SBendtrans-59-38.9-17921.3-36.5000114.3L81 D150 E151 E154 M155 M158P77-L81 HydrophobicContact CG-CD2 3.72Å; P77-D150 WeakPolarHBondContact CD-O 3.36Å; P77-E151 HydrophobicContact CG-CB 3.83Å; P77-E154 HydrophobicContact CB-CB 4Å; P77-E154 HydrophobicContact CG-CB 3.98Å; P77-M155 VanDerWaalsContact CA-CG 3.48Å; P77-M155 HydrophobicContact CB-CG 3.71Å; P77-M155 HydrophobicContact CG-CG 4.36Å; P77-M158 HydrophobicContact CB-SD 3.88Å
78T88Confident93.2Very high15 Ų1524.6 Ų24.69%0.09212%0.124CC..SBendtrans-124.2160.3-175.476.20000112.1A76 E80 L81 A82 M158 R302A76-T78 VanDerWaalsContact C-N 3.34Å; A76-T78 PolarHBondContact O-N 3.09Å; T78-E80 VanDerWaalsContact C-N 3.26Å; T78-E80 PolarHBondContact O-N 3.42Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 3.45Å; T78-L81 PolarHBondContact OG1-N 2.86Å; T78-A82 WeakPolarHBondContact O-CB 3.5Å; T78-A82 PolarHBondContact O-N 2.91Å; T78-M158 HydrophobicContact CG2-SD 4.33Å; T78-R302 HydrophobicContact CG2-CB 3.95Å
79R86.6Confident93.4Very high15 Ų1517.2 Ų17.26%0.0579%0.089CC..Hα-helixtrans-58.7-41.2173163.2177.8177.3150.8-9.9111.6A82 M83 F104 Q276R79-A82 WeakPolarHBondContact O-CB 3.35Å; R79-A82 PolarHBondContact O-N 3.24Å; R79-M83 HydrophobicContact CG-CG 4.4Å; R79-M83 HydrophobicContact CG-SD 4.08Å; R79-M83 WeakPolarHBondContact O-CB 3.39Å; R79-M83 WeakPolarHBondContact O-CG 3.36Å; R79-M83 PolarHBondContact O-N 2.69Å; R79-F104 HydrophobicContact CB-CB 4.2Å; R79-F104 HydrophobicContact CB-CD1 4.18Å; R79-F104 HydrophobicContact CB-CD2 4.15Å; R79-F104 HydrophobicContact CB-CG 3.9Å; R79-F104 VanDerWaalsContact CD-CE2 3.46Å; R79-F104 HydrophobicContact CG-CD1 3.8Å; R79-F104 HydrophobicContact CG-CD2 3.62Å; R79-F104 HydrophobicContact CG-CE1 3.81Å; R79-F104 HydrophobicContact CG-CE2 3.66Å; R79-F104 HydrophobicContact CG-CG 3.7Å; R79-F104 HydrophobicContact CG-CZ 3.75Å; R79-F104 VanDerWaalsContact NH1-CE2 3.26Å; R79-Q276 VanDerWaalsContact NH1-OE1 3.16Å
80E82.3Confident93.5Very high21 Ų2120.5 Ų20.510%0.09810%0.095CC..Hα-helixtrans-67.5-44.7-173.4-66.467-141.100110.1T78 M83 Q84 R279 L283 G303 L304T78-E80 VanDerWaalsContact C-N 3.26Å; T78-E80 PolarHBondContact O-N 3.42Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 3.45Å; E80-M83 PolarHBondContact O-N 3.19Å; E80-Q84 WeakPolarHBondContact O-CB 3.43Å; E80-Q84 PolarHBondContact O-N 3.4Å; E80-R279 VanDerWaalsContact CD-NE 3.25Å; E80-R279 VanDerWaalsContact CG-NH2 3.28Å; E80-R279 IonicContact OE1-CZ 3.09Å; E80-R279 IonicContact OE1-NE 3.92Å; E80-R279 PolarHBondContact OE1-NE 2.92Å; E80-R279 IonicContact OE1-NH2 3.73Å; E80-R279 PolarHBondContact OE1-NH2 3.29Å; E80-R279 IonicContact OE2-NH2 3.03Å; E80-R279 PolarHBondContact OE2-NH2 3.24Å; E80-L283 HydrophobicContact CG-CD1 4.27Å; E80-G303 WeakPolarHBondContact CB-O 3.27Å; E80-L304 HydrophobicContact CG-CD2 4.33Å
81L87.6Confident93.4Very high5 Ų522 Ų223%0.02610%0.101CC..Hα-helixtrans-63.7-42.7173.5-175.561.1000111.1A76 P77 T78 M83 Q84 V85 E151A76-L81 HydrophobicContact CB-CB 4.25Å; A76-L81 HydrophobicContact CB-CD2 4.07Å; A76-L81 HydrophobicContact CB-CG 4.01Å; P77-L81 HydrophobicContact CG-CD2 3.72Å; T78-L81 PolarHBondContact OG1-N 2.86Å; L81-M83 VanDerWaalsContact C-N 3.27Å; L81-M83 PolarHBondContact O-N 3.33Å; L81-Q84 PolarHBondContact O-N 3.36Å; L81-V85 HydrophobicContact CD1-CG2 4.16Å; L81-V85 HydrophobicContact CG-CG2 4.35Å; L81-V85 WeakPolarHBondContact O-CB 3.47Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.25Å; L81-V85 PolarHBondContact O-N 3.04Å; L81-E151 HydrophobicContact CD2-CB 4.18Å; L81-E151 HydrophobicContact CD2-CG 3.84Å; L81-E151 WeakPolarHBondContact CD2-OE2 3.17Å
82A92.8Very high93.3Very high0 Ų020.8 Ų20.80%010%0.095CC..Hα-helixtrans-58.5-39.2174.700000112.5A76 T78 R79 A86 F104 V124A76-A82 HydrophobicContact CB-CB 4.16Å; T78-A82 WeakPolarHBondContact O-CB 3.5Å; T78-A82 PolarHBondContact O-N 2.91Å; R79-A82 WeakPolarHBondContact O-CB 3.35Å; R79-A82 PolarHBondContact O-N 3.24Å; A82-A86 VanDerWaalsContact O-CB 3.27Å; A82-A86 WeakPolarHBondContact O-CB 3.14Å; A82-A86 PolarHBondContact O-N 3.39Å; A82-F104 HydrophobicContact CB-CD1 4.29Å; A82-V124 HydrophobicContact CB-CG1 3.91Å; A82-V124 VanDerWaalsContact O-CG1 3.29Å; A82-V124 WeakPolarHBondContact O-CG1 3.46Å
83M90.1Very high93.1Very high58 Ų5821.1 Ų21.129%0.28610%0.097SC..Hα-helixtrans-70.1-43.5177.3-75-175.557.300112.5R79 E80 L81 A86 E87 F104 L280R79-M83 HydrophobicContact CG-CG 4.4Å; R79-M83 HydrophobicContact CG-SD 4.08Å; R79-M83 WeakPolarHBondContact O-CB 3.39Å; R79-M83 WeakPolarHBondContact O-CG 3.36Å; R79-M83 PolarHBondContact O-N 2.69Å; E80-M83 PolarHBondContact O-N 3.19Å; L81-M83 VanDerWaalsContact C-N 3.27Å; L81-M83 PolarHBondContact O-N 3.33Å; M83-A86 PolarHBondContact O-N 3.36Å; M83-E87 WeakPolarHBondContact O-CB 3.23Å; M83-E87 PolarHBondContact O-N 3.37Å; M83-F104 HydrophobicContact CG-CE1 3.53Å; M83-F104 HydrophobicContact CG-CZ 3.85Å; M83-F104 HydrophobicContact SD-CE1 4.09Å; M83-F104 HydrophobicContact SD-CZ 3.77Å; M83-L280 HydrophobicContact CE-CD1 4.08Å; M83-L280 HydrophobicContact CE-CD2 3.42Å; M83-L280 VanDerWaalsContact CE-CD2 3.42Å; M83-L280 HydrophobicContact CE-CG 4.41Å; M83-L280 HydrophobicContact SD-CD1 4.38Å; M83-L280 HydrophobicContact SD-CD2 3.6Å
84Q87.2Confident92.9Very high38 Ų3828.5 Ų28.518%0.17813%0.125CC..Hα-helixtrans-62.5-46.9177.2175.8-154.2-27.300111.3E80 L81 A86 E87 Q88 D305E80-Q84 WeakPolarHBondContact O-CB 3.43Å; E80-Q84 PolarHBondContact O-N 3.4Å; L81-Q84 PolarHBondContact O-N 3.36Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.3Å; Q84-E87 PolarHBondContact O-N 3.28Å; Q84-Q88 PolarHBondContact O-N 2.93Å; Q84-D305 HydrophobicContact CG-CB 3.89Å; Q84-D305 PolarHBondContact NE2-OD2 2.98Å
85V94.5Very high92.6Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-59.4-46.4174.7170.10000110.2T53 F56 I74 L81 E87 Q88 L89 V124T53-V85 HydrophobicContact CG2-CB 4.48Å; T53-V85 HydrophobicContact CG2-CG1 4.25Å; T53-V85 HydrophobicContact CG2-CG2 4.24Å; F56-V85 HydrophobicContact CE2-CG1 3.96Å; F56-V85 HydrophobicContact CZ-CG1 4.07Å; F56-V85 HydrophobicContact CZ-CG2 4.34Å; I74-V85 HydrophobicContact CD1-CG1 4.05Å; I74-V85 HydrophobicContact CG2-CG1 4.24Å; L81-V85 HydrophobicContact CD1-CG2 4.16Å; L81-V85 HydrophobicContact CG-CG2 4.35Å; L81-V85 WeakPolarHBondContact O-CB 3.47Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.25Å; L81-V85 PolarHBondContact O-N 3.04Å; V85-E87 VanDerWaalsContact C-N 3.31Å; V85-E87 PolarHBondContact O-N 3.26Å; V85-Q88 PolarHBondContact O-N 2.99Å; V85-L89 HydrophobicContact CG1-CD1 3.81Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CD1 3.49Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.49Å; V85-V124 HydrophobicContact CB-CG1 4.16Å; V85-V124 HydrophobicContact CG1-CG1 4.03Å; V85-V124 HydrophobicContact CG1-CG2 4.35Å
86A96.7Very high92.5Very high0 Ų033.9 Ų33.90%017%0.173CC..Hα-helixtrans-62.6-37.2177.700000113.1A82 M83 Q84 R90 V100 T102 V124A82-A86 VanDerWaalsContact O-CB 3.27Å; A82-A86 WeakPolarHBondContact O-CB 3.14Å; A82-A86 PolarHBondContact O-N 3.39Å; M83-A86 PolarHBondContact O-N 3.36Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.3Å; A86-R90 WeakPolarHBondContact O-CG 3.14Å; A86-R90 PolarHBondContact O-N 3.41Å; A86-R90 VanDerWaalsContact O-N 3.07Å; A86-V100 HydrophobicContact CB-CG1 3.78Å; A86-T102 HydrophobicContact CB-CG2 3.26Å; A86-V124 HydrophobicContact CB-CB 4.29Å; A86-V124 HydrophobicContact CB-CG2 4.05Å
87E95Very high92.4Very high85 Ų8536.8 Ų36.840%0.39720%0.203SC..Hα-helixtrans-66.7-47.3176.6-170.466177.200111.7M83 Q84 V85 L89 R90 E91M83-E87 WeakPolarHBondContact O-CB 3.23Å; M83-E87 PolarHBondContact O-N 3.37Å; Q84-E87 PolarHBondContact O-N 3.28Å; V85-E87 VanDerWaalsContact C-N 3.31Å; V85-E87 PolarHBondContact O-N 3.26Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.31Å; E87-R90 WeakPolarHBondContact O-CB 3.5Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 IonicContact OE2-CZ 2.81Å; E87-R90 IonicContact OE2-NH1 3.79Å; E87-R90 PolarHBondContact OE2-NH1 2.94Å; E87-E91 PolarHBondContact O-N 2.92Å
88Q93.7Very high92.8Very high47 Ų4737.4 Ų37.422%0.2221%0.207CC..Hα-helixtrans-59.1-40.4175.7-74.8-176.6-35.200111.6T53 Q84 V85 R90 E91 F92T53-Q88 HydrophobicContact CG2-CB 4.02Å; T53-Q88 PolarHBondContact OG1-OE1 2.75Å; Q84-Q88 PolarHBondContact O-N 2.93Å; V85-Q88 PolarHBondContact O-N 2.99Å; Q88-R90 PolarHBondContact O-N 2.97Å; Q88-E91 PolarHBondContact O-N 3.01Å; Q88-F92 HydrophobicContact CB-CE2 4.21Å; Q88-F92 HydrophobicContact CB-CZ 4.2Å; Q88-F92 WeakPolarHBondContact O-CD1 3.41Å; Q88-F92 WeakPolarHBondContact O-CD2 3.36Å; Q88-F92 WeakPolarHBondContact O-CG 3.27Å; Q88-F92 PolarHBondContact O-N 2.81Å
89L97.8Very high93.3Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-65.9-35176.2-68.6167.8000113.2G57 L60 I61 I74 V85 E87 F92 S93 V100 I122 V124G57-L89 VanDerWaalsContact CA-CD2 3.44Å; L60-L89 HydrophobicContact CD2-CD2 4.34Å; I61-L89 HydrophobicContact CD1-CD2 4.1Å; I74-L89 HydrophobicContact CD1-CD1 3.51Å; V85-L89 HydrophobicContact CG1-CD1 3.81Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CD1 3.49Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.49Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.31Å; L89-F92 HydrophobicContact CD2-CD2 4.29Å; L89-S93 WeakPolarHBondContact O-CB 3.35Å; L89-S93 PolarHBondContact O-N 3.21Å; L89-S93 VanDerWaalsContact O-N 3.1Å; L89-S93 PolarHBondContact O-OG 2.82Å; L89-V100 HydrophobicContact CB-CG1 4.39Å; L89-V100 HydrophobicContact CB-CG2 4.07Å; L89-V100 HydrophobicContact CD1-CG1 4.4Å; L89-I122 HydrophobicContact CD1-CD1 4.44Å; L89-I122 HydrophobicContact CD1-CG2 4.07Å; L89-V124 HydrophobicContact CD1-CG2 4.01Å
90R97Very high93.8Very high93 Ų9340.8 Ų40.835%0.35122%0.223SC..Hα-helixtrans-66.1-40.8173.5-73.2179-158.3113.89.3111.5A86 E87 Q88 S93 R94 V100A86-R90 WeakPolarHBondContact O-CG 3.14Å; A86-R90 PolarHBondContact O-N 3.41Å; A86-R90 VanDerWaalsContact O-N 3.07Å; E87-R90 WeakPolarHBondContact O-CB 3.5Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 IonicContact OE2-CZ 2.81Å; E87-R90 IonicContact OE2-NH1 3.79Å; E87-R90 PolarHBondContact OE2-NH1 2.94Å; Q88-R90 PolarHBondContact O-N 2.97Å; R90-S93 CarbonylContact O-C 3.56Å; R90-S93 PolarHBondContact O-N 3.14Å; R90-S93 PolarHBondContact O-OG 2.82Å; R90-R94 PolarHBondContact O-N 3.03Å; R90-R94 VanDerWaalsContact O-N 3.12Å; R90-V100 HydrophobicContact CG-CB 4.05Å; R90-V100 HydrophobicContact CG-CG2 4.09Å; R90-V100 PolarHBondContact NH2-O 2.8Å
91E94.8Very high94.5Very high53 Ų5340.9 Ų40.925%0.24823%0.225CC..Hα-helixtrans-67.2-42.9175.9-68.5-61.8152.900111.6M20 E87 Q88 S93 R94M20-E91 HydrophobicContact CE-CB 3.49Å; M20-E91 VanDerWaalsContact CE-CB 3.49Å; M20-E91 HydrophobicContact CE-CG 4.2Å; M20-E91 HydrophobicContact CG-CB 4.45Å; M20-E91 HydrophobicContact SD-CB 3.64Å; E87-E91 PolarHBondContact O-N 2.92Å; Q88-E91 PolarHBondContact O-N 3.01Å; E91-S93 PolarHBondContact O-N 3.04Å; E91-R94 WeakPolarHBondContact O-CB 3.44Å; E91-R94 PolarHBondContact O-N 2.69Å; E91-R94 IonicContact OE1-NH1 3.83Å; E91-R94 IonicContact OE2-CZ 3.65Å; E91-R94 IonicContact OE2-NH1 2.73Å; E91-R94 PolarHBondContact OE2-NH1 2.65Å
92F95.2Very high95Very high3 Ų342.1 Ų42.11%0.01323%0.233CC..Hα-helixtrans-61.1-27.5174.7-61.6-22.3000113.4S16 L17 M20 F22 T53 I58 I61 Q88 L89 Q96S16-F92 WeakPolarHBondContact CB-O 3.34Å; L17-F92 HydrophobicContact CD2-CD1 3.52Å; L17-F92 HydrophobicContact CD2-CE1 3.68Å; L17-F92 HydrophobicContact CD2-CG 4.36Å; M20-F92 HydrophobicContact CE-CD1 4.15Å; M20-F92 HydrophobicContact CE-CE1 3.91Å; M20-F92 HydrophobicContact SD-CD1 3.69Å; M20-F92 HydrophobicContact SD-CE1 3.91Å; F22-F92 HydrophobicContact CD2-CE1 4.25Å; F22-F92 AromaticContact CE2-CE1 3.89Å; F22-F92 HydrophobicContact CE2-CE1 3.89Å; T53-F92 HydrophobicContact CG2-CE2 4.48Å; I58-F92 HydrophobicContact CG1-CD2 4.19Å; I58-F92 HydrophobicContact CG1-CE2 4.24Å; I58-F92 HydrophobicContact CG1-CG 4.44Å; I61-F92 HydrophobicContact CG1-CB 3.89Å; Q88-F92 HydrophobicContact CB-CE2 4.21Å; Q88-F92 HydrophobicContact CB-CZ 4.2Å; Q88-F92 WeakPolarHBondContact O-CD1 3.41Å; Q88-F92 WeakPolarHBondContact O-CD2 3.36Å; Q88-F92 WeakPolarHBondContact O-CG 3.27Å; Q88-F92 PolarHBondContact O-N 2.81Å; L89-F92 HydrophobicContact CD2-CD2 4.29Å; F92-Q96 PolarHBondContact O-NE2 2.82Å
93S95.8Very high95.3Very high6 Ų642.1 Ų42.14%0.04223%0.233CC..THydrogen-bonded Turntrans-10617.9-178.360.30000114L89 R90 E91 G95 Q96L89-S93 WeakPolarHBondContact O-CB 3.35Å; L89-S93 PolarHBondContact O-N 3.21Å; L89-S93 VanDerWaalsContact O-N 3.1Å; L89-S93 PolarHBondContact O-OG 2.82Å; R90-S93 CarbonylContact O-C 3.56Å; R90-S93 PolarHBondContact O-N 3.14Å; R90-S93 PolarHBondContact O-OG 2.82Å; E91-S93 PolarHBondContact O-N 3.04Å; S93-G95 PolarHBondContact O-N 2.89Å; S93-Q96 WeakPolarHBondContact O-CB 3.08Å; S93-Q96 PolarHBondContact O-N 2.9Å
94R94Very high95.5Very high156 Ų15639.6 Ų39.659%0.58922%0.22SC*.THydrogen-bonded Turntrans-56.1126.5-177.4-167.6174.4-164146.6-3.9110.9S16 R90 E91 Q96S16-R94 PolarHBondContact OG-O 3.45Å; R90-R94 PolarHBondContact O-N 3.03Å; R90-R94 VanDerWaalsContact O-N 3.12Å; E91-R94 WeakPolarHBondContact O-CB 3.44Å; E91-R94 PolarHBondContact O-N 2.69Å; E91-R94 IonicContact OE1-NH1 3.83Å; E91-R94 IonicContact OE2-CZ 3.65Å; E91-R94 IonicContact OE2-NH1 2.73Å; E91-R94 PolarHBondContact OE2-NH1 2.65Å; R94-Q96 PolarHBondContact O-N 3.45Å
95G92.5Very high95.6Very high87 Ų8739.4 Ų39.490%0.89723%0.228SC*.THydrogen-bonded Turntrans76.4-1.8-177.700000115.7S93S93-G95 PolarHBondContact O-N 2.89Å
96Q95.5Very high95.1Very high25 Ų2542.3 Ų42.312%0.11726%0.258CS..THydrogen-bonded Turntrans-98.82.4-174.7-50.5-165.164.300114.2N12 T13 V65 F92 S93 R94 V98N12-Q96 HydrophobicContact CB-CG 4.3Å; T13-Q96 PolarHBondContact OG1-NE2 2.9Å; V65-Q96 HydrophobicContact CG2-CB 4.01Å; F92-Q96 PolarHBondContact O-NE2 2.82Å; S93-Q96 WeakPolarHBondContact O-CB 3.08Å; S93-Q96 PolarHBondContact O-N 2.9Å; R94-Q96 PolarHBondContact O-N 3.45Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 HydrophobicContact CB-CG2 4.44Å; Q96-V98 PolarHBondContact O-N 2.89Å
97G94.2Very high94.4Very high61 Ų6145.1 Ų45.163%0.62927%0.272SS*.THydrogen-bonded Turntrans71.612.5176.100000115.5
98V97.4Very high94.2Very high17 Ų1744.4 Ų44.410%0.10328%0.275CS..  trans-75.3130.5175.4-178.90000109.9I61 V64 V65 Q96 V100 Q121 I122I61-V98 HydrophobicContact CD1-CG1 4.41Å; V64-V98 HydrophobicContact CG2-CG1 3.84Å; V64-V98 HydrophobicContact CG2-CG2 4.16Å; V65-V98 HydrophobicContact CG2-CG2 3.6Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 HydrophobicContact CB-CG2 4.44Å; Q96-V98 PolarHBondContact O-N 2.89Å; V98-V100 HydrophobicContact CG1-CG2 4.26Å; V98-Q121 HydrophobicContact CG1-CB 4.42Å; V98-I122 HydrophobicContact CG1-CD1 3.91Å; V98-I122 HydrophobicContact CG1-CG1 4.18Å
99Q97.7Very high94.3Very high90 Ų9042.7 Ų42.742%0.42127%0.267SS..  trans-102.9125.9175.8-63.8-176.4-4.600110.6P120 Q121 I122Q99-P120 HydrophobicContact CB-CB 3.98Å; Q99-Q121 PolarHBondContact O-N 3.35Å; Q99-Q121 VanDerWaalsContact O-N 3.13Å; Q99-I122 PolarHBondContact O-N 3.13Å; Q99-I122 VanDerWaalsContact O-N 3.14Å
100V98.2Very high94.3Very high12 Ų1248.3 Ų48.37%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-117.9117.4179.3-169.80000110A86 L89 R90 V98 I122 V124A86-V100 HydrophobicContact CB-CG1 3.78Å; L89-V100 HydrophobicContact CB-CG1 4.39Å; L89-V100 HydrophobicContact CB-CG2 4.07Å; L89-V100 HydrophobicContact CD1-CG1 4.4Å; R90-V100 HydrophobicContact CG-CB 4.05Å; R90-V100 HydrophobicContact CG-CG2 4.09Å; R90-V100 PolarHBondContact NH2-O 2.8Å; V98-V100 HydrophobicContact CG1-CG2 4.26Å; V100-I122 WeakPolarHBondContact CA-O 3.37Å; V100-I122 HydrophobicContact CB-CB 4.47Å; V100-I122 HydrophobicContact CG1-CB 4.15Å; V100-I122 HydrophobicContact CG1-CG2 4.14Å; V100-I122 HydrophobicContact CG2-CB 4.19Å; V100-I122 HydrophobicContact CG2-CD1 4.13Å; V100-V124 HydrophobicContact CG1-CG2 3.96Å
101V97.7Very high94.2Very high23 Ų2352.5 Ų52.514%0.13931%0.309CS..EExtended strand (participates in β ladder)trans-113.2137.4179.7167.40000110.5V103 A115 L116 P120 I122 V123 V124V101-V103 HydrophobicContact CG1-CG1 4.31Å; V101-A115 HydrophobicContact CG1-CB 3.83Å; V101-A115 HydrophobicContact CG2-CB 4.01Å; V101-L116 HydrophobicContact CG1-CD2 4.27Å; V101-P120 HydrophobicContact CB-CB 4.02Å; V101-P120 HydrophobicContact CB-CG 3.84Å; V101-P120 HydrophobicContact CG2-CB 3.6Å; V101-P120 HydrophobicContact CG2-CG 3.66Å; V101-I122 PolarHBondContact N-O 3.4Å; V101-V123 CarbonylContact O-C 3.52Å; V101-V123 WeakPolarHBondContact O-CA 3.34Å; V101-V124 PolarHBondContact O-N 2.81Å
102T97.7Very high94.3Very high31 Ų3150.4 Ų50.419%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-100.6137.817553.90000112.4A86 F104 V124A86-T102 HydrophobicContact CB-CG2 3.26Å; T102-F104 VanDerWaalsContact CB-CE1 3.49Å; T102-F104 HydrophobicContact CG2-CE1 4.26Å; T102-V124 CarbonylContact C-O 3.55Å; T102-V124 WeakPolarHBondContact CA-O 3.46Å; T102-V124 HydrophobicContact CG2-CB 4.43Å
103V97.6Very high94.4Very high0 Ų051.6 Ų51.60%031%0.306CS..EExtended strand (participates in β ladder)trans-128.5114.1176-60.40000111.6V101 Q112 L116 V123 V124 G125 T126 R129 V130V101-V103 HydrophobicContact CG1-CG1 4.31Å; V103-Q112 HydrophobicContact CG1-CB 4.28Å; V103-L116 HydrophobicContact CG1-CD1 4.3Å; V103-L116 HydrophobicContact CG1-CD2 4.38Å; V103-L116 HydrophobicContact CG1-CG 4.42Å; V103-V123 HydrophobicContact CG1-CG1 4.19Å; V103-V123 HydrophobicContact CG2-CG1 3.69Å; V103-V124 PolarHBondContact N-O 3.23Å; V103-G125 CarbonylContact O-C 3.51Å; V103-G125 WeakPolarHBondContact O-CA 3.44Å; V103-T126 PolarHBondContact O-N 3.12Å; V103-T126 VanDerWaalsContact O-N 3.08Å; V103-R129 HydrophobicContact CB-CG 4.07Å; V103-V130 HydrophobicContact CG2-CG2 3.75Å
104F95.7Very high94.5Very high4 Ų458.6 Ų58.62%0.01834%0.335CS..  trans-151.2170177.943.8-110.3000112.9R79 A82 M83 T102 M107 Q112 T126 R129R79-F104 HydrophobicContact CB-CB 4.2Å; R79-F104 HydrophobicContact CB-CD1 4.18Å; R79-F104 HydrophobicContact CB-CD2 4.15Å; R79-F104 HydrophobicContact CB-CG 3.9Å; R79-F104 VanDerWaalsContact CD-CE2 3.46Å; R79-F104 HydrophobicContact CG-CD1 3.8Å; R79-F104 HydrophobicContact CG-CD2 3.62Å; R79-F104 HydrophobicContact CG-CE1 3.81Å; R79-F104 HydrophobicContact CG-CE2 3.66Å; R79-F104 HydrophobicContact CG-CG 3.7Å; R79-F104 HydrophobicContact CG-CZ 3.75Å; R79-F104 VanDerWaalsContact NH1-CE2 3.26Å; A82-F104 HydrophobicContact CB-CD1 4.29Å; M83-F104 HydrophobicContact CG-CE1 3.53Å; M83-F104 HydrophobicContact CG-CZ 3.85Å; M83-F104 HydrophobicContact SD-CE1 4.09Å; M83-F104 HydrophobicContact SD-CZ 3.77Å; T102-F104 VanDerWaalsContact CB-CE1 3.49Å; T102-F104 HydrophobicContact CG2-CE1 4.26Å; F104-M107 HydrophobicContact CD2-SD 4.49Å; F104-M107 HydrophobicContact CE2-CG 4.19Å; F104-M107 HydrophobicContact CE2-SD 3.49Å; F104-M107 WeakPolarHBondContact CE2-SD 3.2Å; F104-M107 HydrophobicContact CZ-SD 4.07Å; F104-Q112 PolarHBondContact O-NE2 2.96Å; F104-T126 WeakPolarHBondContact CA-OG1 3.45Å; F104-T126 HydrophobicContact CB-CG2 3.85Å; F104-T126 WeakPolarHBondContact CB-OG1 3.44Å; F104-R129 PolarHBondContact O-NE 3.33Å
105G88.2Confident94.6Very high34 Ų3452.6 Ų52.635%0.35132%0.319SS..THydrogen-bonded Turntrans-65.6169177.700000114.3M107G105-M107 PolarHBondContact O-N 3.14Å
106G83.7Confident94.8Very high61 Ų6149 Ų4963%0.62928%0.279SS*.THydrogen-bonded Turntrans72.95.5176.100000115.8
107M83.8Confident94.9Very high60 Ų6056 Ų5630%0.29631%0.309SS..SBendtrans-122.6149.5167.3-75.2-177.567.100110.7F104 G105 I109 R129F104-M107 HydrophobicContact CD2-SD 4.49Å; F104-M107 HydrophobicContact CE2-CG 4.19Å; F104-M107 HydrophobicContact CE2-SD 3.49Å; F104-M107 WeakPolarHBondContact CE2-SD 3.2Å; F104-M107 HydrophobicContact CZ-SD 4.07Å; G105-M107 PolarHBondContact O-N 3.14Å; M107-I109 PolarHBondContact O-N 3.33Å; M107-R129 PolarHBondContact O-NH2 2.79Å
108P90.5Very high94.9Very high69 Ų6960.4 Ų60.445%0.44831%0.311SS..  trans-54.4127.6174-25.234.1000111.3E110 R111P108-E110 PolarHBondContact O-N 3.07Å; P108-R111 PolarHBondContact O-N 3.27Å
109I95.5Very high94.8Very high11 Ų1160.5 Ų60.56%0.05632%0.316CS..Hα-helixtrans-68.1-28.6-176.1-165.7171.4000111.1M107 R111 Q112 I113 D132M107-I109 PolarHBondContact O-N 3.33Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 3.28Å; I109-Q112 CarbonylContact O-C 3.58Å; I109-Q112 WeakPolarHBondContact O-CA 3.21Å; I109-Q112 WeakPolarHBondContact O-CB 3.37Å; I109-Q112 PolarHBondContact O-N 2.78Å; I109-I113 HydrophobicContact CG1-CD1 4.15Å; I109-I113 HydrophobicContact CG1-CG1 4.22Å; I109-I113 HydrophobicContact CG2-CD1 4.37Å; I109-I113 VanDerWaalsContact O-CG1 3.31Å; I109-I113 WeakPolarHBondContact O-CG1 3.43Å; I109-I113 PolarHBondContact O-N 3.03Å; I109-D132 HydrophobicContact CD1-CB 4.01Å
110E96.4Very high94.8Very high119 Ų11956.2 Ų56.256%0.55630%0.296SS*.Hα-helixtrans-59.7-37-179.7-64.867.9-147.500111.6P108 I113 K114P108-E110 PolarHBondContact O-N 3.07Å; E110-I113 PolarHBondContact O-N 3.09Å; E110-K114 PolarHBondContact O-N 3.14Å
111R95.2Very high94.8Very high180 Ų18056.1 Ų56.168%0.67929%0.294SS*.Hα-helixtrans-67.2-40.4175.2-67.5-174.3-178.8-174.61.2111.3P108 I109 K114 A115P108-R111 PolarHBondContact O-N 3.27Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 3.28Å; R111-K114 PolarHBondContact O-N 2.96Å; R111-A115 PolarHBondContact O-N 3.4Å
112Q97.4Very high94.9Very high9 Ų955 Ų554%0.04229%0.288CS..Hα-helixtrans-68.5-41.2177.1-62.9179.221.400111.1V103 F104 I109 K114 A115 L116 R129 H133V103-Q112 HydrophobicContact CG1-CB 4.28Å; F104-Q112 PolarHBondContact O-NE2 2.96Å; I109-Q112 CarbonylContact O-C 3.58Å; I109-Q112 WeakPolarHBondContact O-CA 3.21Å; I109-Q112 WeakPolarHBondContact O-CB 3.37Å; I109-Q112 PolarHBondContact O-N 2.78Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.03Å; Q112-A115 WeakPolarHBondContact O-CB 3.37Å; Q112-A115 PolarHBondContact O-N 2.9Å; Q112-A115 VanDerWaalsContact O-N 3.13Å; Q112-L116 WeakPolarHBondContact O-CG 3.2Å; Q112-L116 PolarHBondContact O-N 3.1Å; Q112-R129 VanDerWaalsContact OE1-CG 3.26Å; Q112-H133 WeakPolarHBondContact CB-NE2 3.33Å; Q112-H133 PolarHBondContact OE1-NE2 3.48Å; Q112-H133 VanDerWaalsContact OE1-NE2 3.16Å
113I97.7Very high94.9Very high29 Ų2953.5 Ų53.515%0.14928%0.279CS..Hα-helixtrans-58.6-45.2173.2-66.4169000110.4I109 E110 A115 L116 K117 T138I109-I113 HydrophobicContact CG1-CD1 4.15Å; I109-I113 HydrophobicContact CG1-CG1 4.22Å; I109-I113 HydrophobicContact CG2-CD1 4.37Å; I109-I113 VanDerWaalsContact O-CG1 3.31Å; I109-I113 WeakPolarHBondContact O-CG1 3.43Å; I109-I113 PolarHBondContact O-N 3.03Å; E110-I113 PolarHBondContact O-N 3.09Å; I113-A115 VanDerWaalsContact C-N 3.29Å; I113-A115 PolarHBondContact O-N 3.26Å; I113-L116 PolarHBondContact O-N 2.87Å; I113-K117 HydrophobicContact CG2-CD 4.38Å; I113-K117 WeakPolarHBondContact O-CG 3.49Å; I113-K117 PolarHBondContact O-N 3.28Å; I113-T138 HydrophobicContact CD1-CG2 3.99Å; I113-T138 HydrophobicContact CG1-CG2 3.9Å; I113-T138 HydrophobicContact CG2-CG2 4.09Å
114K97.4Very high95Very high153 Ų15353.5 Ų53.567%0.66528%0.279SS*.Hα-helixtrans-61.8-37.5176.8-172176.9-179.2178.20112.1E110 R111 Q112E110-K114 PolarHBondContact O-N 3.14Å; R111-K114 PolarHBondContact O-N 2.96Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.03Å
115A96.4Very high95.1Very high29 Ų2953.3 Ų53.324%0.2428%0.278CS..Hα-helixtrans-68.4-45.5175.500000112V101 R111 Q112 I113 K117 K118V101-A115 HydrophobicContact CG1-CB 3.83Å; V101-A115 HydrophobicContact CG2-CB 4.01Å; R111-A115 PolarHBondContact O-N 3.4Å; Q112-A115 WeakPolarHBondContact O-CB 3.37Å; Q112-A115 PolarHBondContact O-N 2.9Å; Q112-A115 VanDerWaalsContact O-N 3.13Å; I113-A115 VanDerWaalsContact C-N 3.29Å; I113-A115 PolarHBondContact O-N 3.26Å; A115-K117 VanDerWaalsContact C-N 3.31Å; A115-K117 PolarHBondContact O-N 3.2Å; A115-K118 WeakPolarHBondContact O-CB 3.49Å; A115-K118 PolarHBondContact O-N 3.33Å; A115-K118 VanDerWaalsContact O-N 3.1Å
116L97.8Very high95.5Very high11 Ų1152.6 Ų52.66%0.05827%0.266CS..Hα-helixtrans-62.4-35.5176.8-70.9175.3000112.7V101 V103 Q112 I113 K118 G119 P120 V123 H133 L139V101-L116 HydrophobicContact CG1-CD2 4.27Å; V103-L116 HydrophobicContact CG1-CD1 4.3Å; V103-L116 HydrophobicContact CG1-CD2 4.38Å; V103-L116 HydrophobicContact CG1-CG 4.42Å; Q112-L116 WeakPolarHBondContact O-CG 3.2Å; Q112-L116 PolarHBondContact O-N 3.1Å; I113-L116 PolarHBondContact O-N 2.87Å; L116-K118 PolarHBondContact O-N 3.02Å; L116-K118 VanDerWaalsContact O-N 3.15Å; L116-G119 PolarHBondContact O-N 3.47Å; L116-P120 HydrophobicContact CD2-CG 4.23Å; L116-P120 WeakPolarHBondContact O-CD 3.13Å; L116-V123 HydrophobicContact CD2-CG1 4.34Å; L116-V123 HydrophobicContact CD2-CG2 3.58Å; L116-H133 HydrophobicContact CD1-CB 4.43Å; L116-H133 WeakPolarHBondContact CD1-ND1 3.38Å; L116-L139 HydrophobicContact CD1-CB 4.32Å; L116-L139 HydrophobicContact CD2-CD1 4.2Å
117K96.1Very high96.2Very high173 Ų17349.7 Ų49.775%0.75224%0.236SC*.THydrogen-bonded Turntrans-61.2-19.8175.2-79.7-177.9178.1-173.70113.8I113 A115 G119I113-K117 HydrophobicContact CG2-CD 4.38Å; I113-K117 WeakPolarHBondContact O-CG 3.49Å; I113-K117 PolarHBondContact O-N 3.28Å; A115-K117 VanDerWaalsContact C-N 3.31Å; A115-K117 PolarHBondContact O-N 3.2Å; K117-G119 PolarHBondContact O-N 3.11Å
118K95.6Very high96.8Very high153 Ų15348.2 Ų48.267%0.66524%0.237SC*.THydrogen-bonded Turntrans-74.4-8.7173.6-62.1-176.4176-173.60113.1A115 L116A115-K118 WeakPolarHBondContact O-CB 3.49Å; A115-K118 PolarHBondContact O-N 3.33Å; A115-K118 VanDerWaalsContact O-N 3.1Å; L116-K118 PolarHBondContact O-N 3.02Å; L116-K118 VanDerWaalsContact O-N 3.15Å
119G95Very high97.1Very high20 Ų2046.7 Ų46.721%0.20622%0.222CC..  trans72.450.3178.800000114G69 L116 K117G69-G119 WeakPolarHBondContact CA-O 3.5Å; G69-G119 PolarHBondContact N-O 3.03Å; L116-G119 PolarHBondContact O-N 3.47Å; K117-G119 PolarHBondContact O-N 3.11Å
120P97.7Very high97.2Very high0 Ų046.2 Ų46.20%022%0.22CC..  trans-62.8143.8177.731.7-36.9000110.7G69 V70 Q99 V101 L116 V123G69-P120 CarbonylContact C-O 3.59Å; V70-P120 WeakPolarHBondContact CA-O 3.43Å; V70-P120 WeakPolarHBondContact CG2-O 3.38Å; V70-P120 PolarHBondContact N-O 3.07Å; Q99-P120 HydrophobicContact CB-CB 3.98Å; V101-P120 HydrophobicContact CB-CB 4.02Å; V101-P120 HydrophobicContact CB-CG 3.84Å; V101-P120 HydrophobicContact CG2-CB 3.6Å; V101-P120 HydrophobicContact CG2-CG 3.66Å; L116-P120 HydrophobicContact CD2-CG 4.23Å; L116-P120 WeakPolarHBondContact O-CD 3.13Å; P120-V123 HydrophobicContact CG-CG2 4.19Å
121Q98.4Very high97.3Very high9 Ų941.6 Ų41.64%0.04220%0.199CC..SBendtrans-72.7-34179-64.384.3-10.100112.3V64 K67 G69 Q71 S72 V98 Q99V64-Q121 HydrophobicContact CB-CB 3.99Å; V64-Q121 HydrophobicContact CB-CG 4.49Å; V64-Q121 HydrophobicContact CG2-CB 4.25Å; K67-Q121 WeakPolarHBondContact O-CG 3.44Å; K67-Q121 PolarHBondContact O-NE2 3.39Å; G69-Q121 WeakPolarHBondContact O-CA 3.41Å; Q71-Q121 PolarHBondContact N-O 3.34Å; S72-Q121 PolarHBondContact N-O 3.18Å; S72-Q121 VanDerWaalsContact N-O 3.09Å; S72-Q121 PolarHBondContact OG-O 2.67Å; V98-Q121 HydrophobicContact CG1-CB 4.42Å; Q99-Q121 PolarHBondContact O-N 3.35Å; Q99-Q121 VanDerWaalsContact O-N 3.13Å
122I98.6Very high97.4Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-119.3128.8-178.4-50179.1000110.2L60 I61 V64 S72 I74 L89 V98 Q99 V100 V101 V124L60-I122 HydrophobicContact CD2-CD1 3.77Å; L60-I122 HydrophobicContact CD2-CG1 4.27Å; L60-I122 HydrophobicContact CD2-CG2 4.17Å; L60-I122 HydrophobicContact CG-CD1 4Å; I61-I122 HydrophobicContact CD1-CD1 3.71Å; V64-I122 HydrophobicContact CG2-CD1 4.03Å; V64-I122 HydrophobicContact CG2-CG1 4.11Å; S72-I122 WeakPolarHBondContact OG-CG1 3.12Å; S72-I122 WeakPolarHBondContact OG-CG2 3.37Å; I74-I122 HydrophobicContact CD1-CG2 4.18Å; I74-I122 HydrophobicContact CG1-CG2 4.36Å; L89-I122 HydrophobicContact CD1-CD1 4.44Å; L89-I122 HydrophobicContact CD1-CG2 4.07Å; V98-I122 HydrophobicContact CG1-CD1 3.91Å; V98-I122 HydrophobicContact CG1-CG1 4.18Å; Q99-I122 PolarHBondContact O-N 3.13Å; Q99-I122 VanDerWaalsContact O-N 3.14Å; V100-I122 WeakPolarHBondContact CA-O 3.37Å; V100-I122 HydrophobicContact CB-CB 4.47Å; V100-I122 HydrophobicContact CG1-CB 4.15Å; V100-I122 HydrophobicContact CG1-CG2 4.14Å; V100-I122 HydrophobicContact CG2-CB 4.19Å; V100-I122 HydrophobicContact CG2-CD1 4.13Å; V101-I122 PolarHBondContact N-O 3.4Å; I122-V124 HydrophobicContact CG2-CG2 4.04Å
123V98.6Very high97.5Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-113.6126169.5178.50000108.9V70 S72 L73 I74 V101 V103 L116 P120 L139V70-V123 HydrophobicContact CG1-CG2 3.81Å; V70-V123 HydrophobicContact CG2-CG2 4.18Å; S72-V123 PolarHBondContact O-N 3.47Å; L73-V123 CarbonylContact C-O 3.59Å; L73-V123 WeakPolarHBondContact CA-O 3.42Å; L73-V123 HydrophobicContact CD1-CB 4.13Å; L73-V123 HydrophobicContact CD1-CG1 3.92Å; I74-V123 PolarHBondContact N-O 2.96Å; V101-V123 CarbonylContact O-C 3.52Å; V101-V123 WeakPolarHBondContact O-CA 3.34Å; V103-V123 HydrophobicContact CG1-CG1 4.19Å; V103-V123 HydrophobicContact CG2-CG1 3.69Å; L116-V123 HydrophobicContact CD2-CG1 4.34Å; L116-V123 HydrophobicContact CD2-CG2 3.58Å; P120-V123 HydrophobicContact CG-CG2 4.19Å; V123-L139 HydrophobicContact CG2-CD1 4.05Å
124V98.6Very high97.5Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-115130.6175.1-170.50000108.6I74 A82 V85 A86 L89 V100 V101 T102 V103 I122I74-V124 HydrophobicContact CB-CB 4.39Å; I74-V124 HydrophobicContact CB-CG1 4.08Å; I74-V124 HydrophobicContact CB-CG2 4.18Å; I74-V124 HydrophobicContact CD1-CG2 4.12Å; I74-V124 HydrophobicContact CG1-CG2 4.34Å; I74-V124 HydrophobicContact CG2-CG1 4.26Å; I74-V124 CarbonylContact O-C 3.31Å; I74-V124 WeakPolarHBondContact O-CA 3.48Å; A82-V124 HydrophobicContact CB-CG1 3.91Å; A82-V124 VanDerWaalsContact O-CG1 3.29Å; A82-V124 WeakPolarHBondContact O-CG1 3.46Å; V85-V124 HydrophobicContact CB-CG1 4.16Å; V85-V124 HydrophobicContact CG1-CG1 4.03Å; V85-V124 HydrophobicContact CG1-CG2 4.35Å; A86-V124 HydrophobicContact CB-CB 4.29Å; A86-V124 HydrophobicContact CB-CG2 4.05Å; L89-V124 HydrophobicContact CD1-CG2 4.01Å; V100-V124 HydrophobicContact CG1-CG2 3.96Å; V101-V124 PolarHBondContact O-N 2.81Å; T102-V124 CarbonylContact C-O 3.55Å; T102-V124 WeakPolarHBondContact CA-O 3.46Å; T102-V124 HydrophobicContact CG2-CB 4.43Å; V103-V124 PolarHBondContact N-O 3.23Å; I122-V124 HydrophobicContact CG2-CG2 4.04Å
125G98Very high97.5Very high0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-164.3168.1-175.500000117.1I74 L75 A76 V103I74-G125 PolarHBondContact O-N 2.95Å; L75-G125 WeakPolarHBondContact CA-O 3.39Å; A76-G125 PolarHBondContact N-O 3.32Å; V103-G125 CarbonylContact O-C 3.51Å; V103-G125 WeakPolarHBondContact O-CA 3.44Å
126T97.2Very high97.5Very high18 Ų1838.4 Ų38.411%0.1119%0.188CC..  trans-86.8142173.656.70000110.4V103 F104 G128 R129 V130V103-T126 PolarHBondContact O-N 3.12Å; V103-T126 VanDerWaalsContact O-N 3.08Å; F104-T126 WeakPolarHBondContact CA-OG1 3.45Å; F104-T126 HydrophobicContact CB-CG2 3.85Å; F104-T126 WeakPolarHBondContact CB-OG1 3.44Å; T126-G128 PolarHBondContact O-N 3.01Å; T126-R129 PolarHBondContact O-N 2.81Å; T126-R129 VanDerWaalsContact O-N 3.15Å; T126-V130 PolarHBondContact O-N 3.09Å; T126-V130 VanDerWaalsContact O-N 3.14Å
127P97.5Very high97.4Very high0 Ų048.2 Ų48.20%022%0.224CC..Hα-helixtrans-49.8-53.2-171.5-30.435.8000114.7R129 V130 I131 M155 F160 D163 I167P127-R129 VanDerWaalsContact C-N 3.33Å; P127-R129 PolarHBondContact O-N 3.03Å; P127-V130 WeakPolarHBondContact O-CB 3.19Å; P127-V130 PolarHBondContact O-N 3.01Å; P127-V130 VanDerWaalsContact O-N 3.08Å; P127-I131 WeakPolarHBondContact O-CG1 3.17Å; P127-I131 PolarHBondContact O-N 2.99Å; P127-M155 HydrophobicContact CG-CG 4.47Å; P127-M155 HydrophobicContact CG-SD 3.76Å; P127-F160 HydrophobicContact CB-CB 4.15Å; P127-F160 HydrophobicContact CB-CD1 4.49Å; P127-F160 HydrophobicContact CB-CG 4.2Å; P127-F160 HydrophobicContact CG-CB 3.94Å; P127-F160 HydrophobicContact CG-CD2 4.01Å; P127-F160 HydrophobicContact CG-CG 4.01Å; P127-D163 HydrophobicContact CB-CB 3.74Å; P127-I167 HydrophobicContact CB-CD1 3.93Å
128G96.2Very high97.5Very high30 Ų3042 Ų4231%0.30920%0.2SC..Hα-helixtrans-56.5-40.7-17800000114.5T126 I131 D132T126-G128 PolarHBondContact O-N 3.01Å; G128-I131 PolarHBondContact O-N 2.85Å; G128-D132 PolarHBondContact O-N 3.13Å; G128-D132 VanDerWaalsContact O-N 3.13Å
129R97.6Very high97.6Very high37 Ų3735 Ų3514%0.1417%0.17CC..Hα-helixtrans-74.1-34.3177.8-179.962.878.8-159.111.9112.5V103 F104 M107 Q112 T126 P127 I131 D132 H133V103-R129 HydrophobicContact CB-CG 4.07Å; F104-R129 PolarHBondContact O-NE 3.33Å; M107-R129 PolarHBondContact O-NH2 2.79Å; Q112-R129 VanDerWaalsContact OE1-CG 3.26Å; T126-R129 PolarHBondContact O-N 2.81Å; T126-R129 VanDerWaalsContact O-N 3.15Å; P127-R129 VanDerWaalsContact C-N 3.33Å; P127-R129 PolarHBondContact O-N 3.03Å; R129-I131 VanDerWaalsContact C-N 3.28Å; R129-D132 IonicContact CZ-OD2 2.82Å; R129-D132 IonicContact NH1-OD2 3.64Å; R129-D132 PolarHBondContact NH1-OD2 3.41Å; R129-D132 WeakPolarHBondContact O-CB 3.44Å; R129-D132 PolarHBondContact O-N 3.34Å; R129-H133 PolarHBondContact O-CD2 2.93Å; R129-H133 VanDerWaalsContact O-CD2 3.31Å; R129-H133 PolarHBondContact O-N 3.37Å; R129-H133 VanDerWaalsContact O-N 3.12Å
130V98.5Very high97.5Very high0 Ų041.5 Ų41.50%019%0.193CC..Hα-helixtrans-60.4-44.7173.31710000109.4L73 L75 V103 T126 P127 D132 H133 L134 L139 I167L73-V130 HydrophobicContact CD1-CG1 4.33Å; L73-V130 HydrophobicContact CD1-CG2 4.15Å; L73-V130 HydrophobicContact CD2-CG1 3.93Å; L75-V130 HydrophobicContact CD2-CB 4.34Å; L75-V130 HydrophobicContact CD2-CG1 4.36Å; L75-V130 HydrophobicContact CD2-CG2 3.88Å; V103-V130 HydrophobicContact CG2-CG2 3.75Å; T126-V130 PolarHBondContact O-N 3.09Å; T126-V130 VanDerWaalsContact O-N 3.14Å; P127-V130 WeakPolarHBondContact O-CB 3.19Å; P127-V130 PolarHBondContact O-N 3.01Å; P127-V130 VanDerWaalsContact O-N 3.08Å; V130-D132 VanDerWaalsContact C-N 3.34Å; V130-D132 PolarHBondContact O-N 2.67Å; V130-H133 PolarHBondContact O-N 3.18Å; V130-H133 VanDerWaalsContact O-N 3.08Å; V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.28Å; V130-L134 WeakPolarHBondContact O-CG 3.29Å; V130-L134 PolarHBondContact O-N 2.91Å; V130-L139 HydrophobicContact CG1-CD2 4.1Å; V130-I167 HydrophobicContact CB-CD1 4.06Å; V130-I167 HydrophobicContact CG1-CD1 3.91Å; V130-I167 HydrophobicContact CG1-CG1 4.04Å; V130-I167 HydrophobicContact CG1-CG2 4.15Å
131I98.3Very high97.4Very high22 Ų2242.5 Ų42.511%0.11320%0.199CC..Hα-helixtrans-58.3-44.3175.9-67.9175.2000111.6P127 G128 R129 H133 L134 N135 D163 F166 I167P127-I131 WeakPolarHBondContact O-CG1 3.17Å; P127-I131 PolarHBondContact O-N 2.99Å; G128-I131 PolarHBondContact O-N 2.85Å; R129-I131 VanDerWaalsContact C-N 3.28Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 PolarHBondContact O-N 3.19Å; I131-L134 PolarHBondContact O-N 3.27Å; I131-N135 WeakPolarHBondContact CG2-ND2 3.4Å; I131-N135 WeakPolarHBondContact O-CB 3.37Å; I131-N135 PolarHBondContact O-N 2.9Å; I131-N135 PolarHBondContact O-ND2 3.21Å; I131-D163 HydrophobicContact CD1-CB 3.55Å; I131-D163 VanDerWaalsContact CD1-CG 3.5Å; I131-F166 HydrophobicContact CB-CE1 4.46Å; I131-F166 HydrophobicContact CD1-CD1 4Å; I131-F166 HydrophobicContact CG1-CD1 3.75Å; I131-F166 HydrophobicContact CG1-CE1 4.1Å; I131-F166 HydrophobicContact CG2-CD1 4.28Å; I131-F166 HydrophobicContact CG2-CE1 3.93Å; I131-I167 HydrophobicContact CD1-CD1 4.4Å; I131-I167 HydrophobicContact CD1-CG1 4.31Å; I131-I167 HydrophobicContact CG1-CD1 4Å; I131-I167 HydrophobicContact CG1-CG1 3.73Å
132D97.9Very high97.1Very high62 Ų6248.5 Ų48.533%0.33223%0.232SC..Hα-helixtrans-54.9-46174.1-73.3-17.3000111.8I109 G128 R129 V130 R136I109-D132 HydrophobicContact CD1-CB 4.01Å; G128-D132 PolarHBondContact O-N 3.13Å; G128-D132 VanDerWaalsContact O-N 3.13Å; R129-D132 IonicContact CZ-OD2 2.82Å; R129-D132 IonicContact NH1-OD2 3.64Å; R129-D132 PolarHBondContact NH1-OD2 3.41Å; R129-D132 WeakPolarHBondContact O-CB 3.44Å; R129-D132 PolarHBondContact O-N 3.34Å; V130-D132 VanDerWaalsContact C-N 3.34Å; V130-D132 PolarHBondContact O-N 2.67Å; D132-R136 VanDerWaalsContact O-CB 3.32Å; D132-R136 WeakPolarHBondContact O-CB 3.35Å; D132-R136 VanDerWaalsContact O-CG 3.25Å; D132-R136 WeakPolarHBondContact O-CG 3.45Å; D132-R136 PolarHBondContact O-N 3.22Å
133H98.5Very high96.8Very high0 Ų050.3 Ų50.30%025%0.25CC..Hα-helixtrans-67.3-37.2-179.6-82.6-67000112.9Q112 L116 R129 V130 I131 R137 T138 L139Q112-H133 WeakPolarHBondContact CB-NE2 3.33Å; Q112-H133 PolarHBondContact OE1-NE2 3.48Å; Q112-H133 VanDerWaalsContact OE1-NE2 3.16Å; L116-H133 HydrophobicContact CD1-CB 4.43Å; L116-H133 WeakPolarHBondContact CD1-ND1 3.38Å; R129-H133 PolarHBondContact O-CD2 2.93Å; R129-H133 VanDerWaalsContact O-CD2 3.31Å; R129-H133 PolarHBondContact O-N 3.37Å; R129-H133 VanDerWaalsContact O-N 3.12Å; V130-H133 PolarHBondContact O-N 3.18Å; V130-H133 VanDerWaalsContact O-N 3.08Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 PolarHBondContact O-N 3.19Å; H133-R137 PolarHBondContact O-N 3.41Å; H133-R137 VanDerWaalsContact O-N 3.13Å; H133-T138 WeakPolarHBondContact CA-OG1 3.41Å; H133-T138 PolarHBondContact ND1-OG1 3.48Å; H133-T138 PolarHBondContact O-N 3.1Å; H133-T138 PolarHBondContact O-OG1 3.1Å; H133-T138 VanDerWaalsContact O-OG1 3.09Å; H133-L139 HydrophobicContact CB-CB 3.78Å; H133-L139 PolarHBondContact O-N 3.12Å
134L97.6Very high96.7Very high19 Ų1950.6 Ų50.610%0.09925%0.251CS..Hα-helixtrans-65.4-49174.8-68.2174.3000111.1V130 I131 R136 R137 L139 T141 F166 I167 K170V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.28Å; V130-L134 WeakPolarHBondContact O-CG 3.29Å; V130-L134 PolarHBondContact O-N 2.91Å; I131-L134 PolarHBondContact O-N 3.27Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.4Å; L134-R137 WeakPolarHBondContact O-CA 3.29Å; L134-R137 PolarHBondContact O-N 3.34Å; L134-L139 HydrophobicContact CD2-CB 4.37Å; L134-L139 HydrophobicContact CD2-CD2 4.07Å; L134-L139 HydrophobicContact CD2-CG 4.24Å; L134-L139 HydrophobicContact CG-CD2 4.46Å; L134-T141 HydrophobicContact CD2-CG2 3.28Å; L134-F166 HydrophobicContact CD1-CE1 4.41Å; L134-I167 HydrophobicContact CD1-CG1 4.12Å; L134-I167 HydrophobicContact CD1-CG2 4.42Å; L134-K170 HydrophobicContact CD1-CB 4.14Å; L134-K170 HydrophobicContact CD1-CG 4.32Å
135N97.1Very high96.6Very high103 Ų10352.9 Ų52.955%0.55126%0.262SS*.Hα-helixtrans-62.6-37.3179.4-73.4-21.4000112I131 R137I131-N135 WeakPolarHBondContact CG2-ND2 3.4Å; I131-N135 WeakPolarHBondContact O-CB 3.37Å; I131-N135 PolarHBondContact O-N 2.9Å; I131-N135 PolarHBondContact O-ND2 3.21Å; N135-R137 PolarHBondContact O-N 3.22Å
136R97.2Very high96.6Very high149 Ų14952.9 Ų52.956%0.56226%0.262SS*.THydrogen-bonded Turntrans-77.8-4.8173.9-69.3171.6176.7-103.31.9113.9D132 L134 T138D132-R136 VanDerWaalsContact O-CB 3.32Å; D132-R136 WeakPolarHBondContact O-CB 3.35Å; D132-R136 VanDerWaalsContact O-CG 3.25Å; D132-R136 WeakPolarHBondContact O-CG 3.45Å; D132-R136 PolarHBondContact O-N 3.22Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.4Å; R136-T138 HydrophobicContact CB-CG2 4.01Å; R136-T138 PolarHBondContact O-N 2.92Å
137R96.2Very high96.6Very high217 Ų21752 Ų5282%0.81926%0.257SS*.THydrogen-bonded Turntrans56.930.7-175.7-51.3179.7-178.2-173.8-0.9113.6H133 L134 N135H133-R137 PolarHBondContact O-N 3.41Å; H133-R137 VanDerWaalsContact O-N 3.13Å; L134-R137 WeakPolarHBondContact O-CA 3.29Å; L134-R137 PolarHBondContact O-N 3.34Å; N135-R137 PolarHBondContact O-N 3.22Å
138T97.2Very high96.7Very high42 Ų4252 Ų5226%0.25826%0.257SS..  trans-95.3-21.1178.854.20000112.6I113 H133 R136I113-T138 HydrophobicContact CD1-CG2 3.99Å; I113-T138 HydrophobicContact CG1-CG2 3.9Å; I113-T138 HydrophobicContact CG2-CG2 4.09Å; H133-T138 WeakPolarHBondContact CA-OG1 3.41Å; H133-T138 PolarHBondContact ND1-OG1 3.48Å; H133-T138 PolarHBondContact O-N 3.1Å; H133-T138 PolarHBondContact O-OG1 3.1Å; H133-T138 VanDerWaalsContact O-OG1 3.09Å; R136-T138 HydrophobicContact CB-CG2 4.01Å; R136-T138 PolarHBondContact O-N 2.92Å
139L97.6Very high96.8Very high7 Ų750.6 Ų50.64%0.03724%0.242CC..SBendtrans-103.6112.2163.2177.463.2000107.9V70 L73 L116 V123 V130 H133 L134V70-L139 HydrophobicContact CG1-CD1 4.09Å; V70-L139 HydrophobicContact CG2-CD1 4.15Å; L73-L139 HydrophobicContact CD1-CD2 4.4Å; L116-L139 HydrophobicContact CD1-CB 4.32Å; L116-L139 HydrophobicContact CD2-CD1 4.2Å; V123-L139 HydrophobicContact CG2-CD1 4.05Å; V130-L139 HydrophobicContact CG1-CD2 4.1Å; H133-L139 HydrophobicContact CB-CB 3.78Å; H133-L139 PolarHBondContact O-N 3.12Å; L134-L139 HydrophobicContact CD2-CB 4.37Å; L134-L139 HydrophobicContact CD2-CD2 4.07Å; L134-L139 HydrophobicContact CD2-CG 4.24Å; L134-L139 HydrophobicContact CG-CD2 4.46Å
140K93.5Very high96.7Very high157 Ų15749 Ų4968%0.68324%0.236SC*.  trans-85.9131.3175.1-62.9-176.7178.9-1770109.1
141T94.5Very high96.4Very high20 Ų2050.5 Ų50.512%0.12324%0.243CC..  trans-100.5-9.2-175.854.60000113.8L134 G143 I144 K170 I171L134-T141 HydrophobicContact CD2-CG2 3.28Å; T141-G143 PolarHBondContact O-N 3.41Å; T141-I144 HydrophobicContact CG2-CD1 4.06Å; T141-I144 WeakPolarHBondContact O-CB 3.33Å; T141-I144 PolarHBondContact O-N 3.29Å; T141-K170 WeakPolarHBondContact CB-O 3.4Å; T141-K170 PolarHBondContact OG1-O 3.29Å; T141-I171 HydrophobicContact CG2-CG1 4.08Å
142D92.1Very high96.1Very high136 Ų13649.4 Ų49.473%0.72724%0.238SC*.THydrogen-bonded Turntrans-59.4-32.9-173.8-51.7-72.5000113.3
143G93.3Very high95.6Very high37 Ų3746.8 Ų46.838%0.38122%0.224SC..THydrogen-bonded Turntrans-90.5-3.5177.700000114.7V70 T141 H145V70-G143 CarbonylContact O-C 3.54Å; V70-G143 VanDerWaalsContact O-C 3.31Å; T141-G143 PolarHBondContact O-N 3.41Å; G143-H145 PolarHBondContact O-N 3.23Å
144I96.2Very high95Very high6 Ų647.6 Ų47.63%0.03123%0.227CC..  trans-80.3108.9-175.3-60-178.8000109.4V70 Q71 L73 T141 I171V70-I144 HydrophobicContact CB-CG1 4.47Å; V70-I144 HydrophobicContact CG1-CD1 3.93Å; V70-I144 HydrophobicContact CG1-CG1 3.85Å; Q71-I144 WeakPolarHBondContact O-CA 3.27Å; L73-I144 HydrophobicContact CB-CD1 4.26Å; L73-I144 HydrophobicContact CB-CG2 4.34Å; T141-I144 HydrophobicContact CG2-CD1 4.06Å; T141-I144 WeakPolarHBondContact O-CB 3.33Å; T141-I144 PolarHBondContact O-N 3.29Å; I144-I171 HydrophobicContact CB-CG2 4.09Å; I144-I171 HydrophobicContact CG2-CD1 4.36Å; I144-I171 HydrophobicContact CG2-CG2 3.89Å
145H95.8Very high94.7Very high49 Ų4946.7 Ų46.723%0.22722%0.223CC..  trans-106.3-11.7177.262.967.8000113.2Q71 G143 R176 Q177Q71-H145 PolarHBondContact O-N 2.96Å; Q71-H145 PolarHBondContact OE1-CD2 3.45Å; Q71-H145 PolarHBondContact OE1-NE2 3.49Å; G143-H145 PolarHBondContact O-N 3.23Å; H145-R176 CarbonylContact O-C 3.5Å; H145-R176 WeakPolarHBondContact O-CA 3.44Å; H145-Q177 PolarHBondContact O-N 3.23Å
146T98.2Very high94.3Very high0 Ų043.5 Ų43.50%021%0.205CC..EExtended strand (participates in β ladder)trans-125.7123.2176.7-54.60000110.9L60 Q71 S72 L73 I148 Q177 M179L60-T146 HydrophobicContact CD1-CG2 4.08Å; Q71-T146 PolarHBondContact O-N 3.01Å; S72-T146 WeakPolarHBondContact CA-O 3.41Å; L73-T146 PolarHBondContact N-O 2.74Å; T146-I148 HydrophobicContact CG2-CD1 4.2Å; T146-I148 HydrophobicContact CG2-CG1 4.24Å; T146-Q177 WeakPolarHBondContact CA-O 3.41Å; T146-M179 HydrophobicContact CG2-CE 3.62Å
147L98.4Very high93.5Very high0 Ų040.1 Ų40.10%020%0.198CC..EExtended strand (participates in β ladder)trans-114.9129.1171.7177.164.4000109.9L73 L75 L149 M168 I171 R176 Q177 T178 M179L73-L147 HydrophobicContact CB-CD1 4.07Å; L73-L147 HydrophobicContact CD2-CD1 4Å; L73-L147 HydrophobicContact CG-CD1 4.1Å; L73-L147 WeakPolarHBondContact O-CA 3.48Å; L75-L147 HydrophobicContact CG-CD1 4.45Å; L147-L149 HydrophobicContact CD2-CD1 4.05Å; L147-L149 HydrophobicContact CG-CD1 3.93Å; L147-M168 HydrophobicContact CD2-CB 4.47Å; L147-M168 HydrophobicContact CD2-CE 4.08Å; L147-M168 HydrophobicContact CD2-CG 3.6Å; L147-I171 HydrophobicContact CD1-CD1 3.87Å; L147-I171 HydrophobicContact CD2-CD1 4.15Å; L147-I171 HydrophobicContact CG-CD1 4.41Å; L147-R176 HydrophobicContact CB-CG 4.26Å; L147-Q177 PolarHBondContact N-O 3.08Å; L147-T178 CarbonylContact O-C 3.57Å; L147-T178 WeakPolarHBondContact O-CA 3.41Å; L147-M179 PolarHBondContact O-N 2.94Å
148I98.5Very high93.1Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-119.5135.7175.3-63.9149.4000109.5F56 L60 L73 I74 L75 T146 M179 F181F56-I148 HydrophobicContact CB-CD1 4.15Å; F56-I148 HydrophobicContact CB-CG1 4.37Å; F56-I148 HydrophobicContact CB-CG2 4.39Å; F56-I148 HydrophobicContact CD1-CG2 4.09Å; F56-I148 HydrophobicContact CD2-CD1 3.78Å; F56-I148 HydrophobicContact CD2-CG1 4.5Å; F56-I148 HydrophobicContact CD2-CG2 4.03Å; F56-I148 HydrophobicContact CE1-CG2 4.31Å; F56-I148 HydrophobicContact CE2-CG2 4.3Å; F56-I148 HydrophobicContact CG-CD1 4.24Å; F56-I148 HydrophobicContact CG-CG2 3.93Å; F56-I148 HydrophobicContact CZ-CG2 4.41Å; L60-I148 HydrophobicContact CD2-CD1 3.82Å; L73-I148 PolarHBondContact O-N 3.19Å; I74-I148 CarbonylContact C-O 3.57Å; I74-I148 WeakPolarHBondContact CA-O 3.37Å; I74-I148 HydrophobicContact CB-CB 4.33Å; I74-I148 HydrophobicContact CD1-CD1 3.88Å; I74-I148 HydrophobicContact CG1-CB 4.08Å; I74-I148 HydrophobicContact CG1-CD1 3.86Å; I74-I148 HydrophobicContact CG2-CB 4.03Å; I74-I148 HydrophobicContact CG2-CG2 3.94Å; L75-I148 PolarHBondContact N-O 2.93Å; T146-I148 HydrophobicContact CG2-CD1 4.2Å; T146-I148 HydrophobicContact CG2-CG1 4.24Å; I148-M179 CarbonylContact C-O 3.58Å; I148-M179 VanDerWaalsContact CA-O 3.27Å; I148-M179 WeakPolarHBondContact CA-O 3.42Å; I148-M179 HydrophobicContact CD1-CE 3.81Å; I148-M179 HydrophobicContact CG1-CB 4.2Å; I148-M179 HydrophobicContact CG1-CE 3.65Å; I148-F181 HydrophobicContact CG2-CD2 4.42Å
149L98.1Very high92.4Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-117.7107.5172.1-61.887.7000107.5L147 A152 M155 M164 M168 T178 M179 L180 F181L147-L149 HydrophobicContact CD2-CD1 4.05Å; L147-L149 HydrophobicContact CG-CD1 3.93Å; L149-A152 HydrophobicContact CB-CB 4.42Å; L149-M155 HydrophobicContact CB-CE 4.07Å; L149-M164 HydrophobicContact CD2-CB 4.45Å; L149-M164 HydrophobicContact CD2-CG 4.29Å; L149-M164 HydrophobicContact CD2-SD 3.77Å; L149-M168 HydrophobicContact CD1-CE 4.01Å; L149-M168 HydrophobicContact CD2-CE 4.45Å; L149-M168 HydrophobicContact CD2-SD 4.19Å; L149-T178 HydrophobicContact CD1-CG2 3.85Å; L149-M179 PolarHBondContact N-O 3.36Å; L149-L180 HydrophobicContact CB-CG 4.2Å; L149-L180 HydrophobicContact CD2-CD1 4.44Å; L149-F181 PolarHBondContact O-N 3.38Å
150D95.8Very high92.2Very high4 Ų435.3 Ų35.32%0.02120%0.196CC..SBendtrans-101.1138.1178.6-167.218.2000110.8F56 L75 P77 A152 M155F56-D150 HydrophobicContact CE1-CB 4.31Å; F56-D150 HydrophobicContact CZ-CB 4.46Å; L75-D150 PolarHBondContact O-N 2.83Å; P77-D150 WeakPolarHBondContact CD-O 3.36Å; D150-A152 PolarHBondContact O-N 2.97Å; D150-M155 VanDerWaalsContact O-CE 3.28Å; D150-M155 WeakPolarHBondContact O-CE 3.35Å
151E91.7Very high92.2Very high30 Ų3029.1 Ų29.114%0.1417%0.17CC..SBendtrans49.653.8-172.2-59.6-169.3172.500112.3P77 L81 D153 E154 M155 F181P77-E151 HydrophobicContact CG-CB 3.83Å; L81-E151 HydrophobicContact CD2-CB 4.18Å; L81-E151 HydrophobicContact CD2-CG 3.84Å; L81-E151 WeakPolarHBondContact CD2-OE2 3.17Å; E151-D153 VanDerWaalsContact C-N 3.31Å; E151-D153 PolarHBondContact O-N 2.84Å; E151-E154 HydrophobicContact CB-CB 4.09Å; E151-E154 HydrophobicContact CB-CG 4.2Å; E151-E154 WeakPolarHBondContact O-CB 3.35Å; E151-E154 PolarHBondContact O-N 3.25Å; E151-E154 VanDerWaalsContact O-N 3.1Å; E151-M155 PolarHBondContact O-N 3.25Å; E151-M155 VanDerWaalsContact O-N 3.07Å; E151-F181 PolarHBondContact N-O 2.62Å; E151-F181 VanDerWaalsContact N-O 3.1Å
152A93.6Very high92.1Very high0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-63-33.9-173.300000114L149 D150 M155 M156 L180 F181 I189L149-A152 HydrophobicContact CB-CB 4.42Å; D150-A152 PolarHBondContact O-N 2.97Å; A152-M155 HydrophobicContact CB-CE 4.35Å; A152-M155 PolarHBondContact O-N 3.37Å; A152-M156 PolarHBondContact O-N 2.97Å; A152-L180 HydrophobicContact CB-CD1 4.19Å; A152-L180 HydrophobicContact CB-CD2 3.83Å; A152-L180 HydrophobicContact CB-CG 3.9Å; A152-F181 PolarHBondContact N-O 2.97Å; A152-F181 VanDerWaalsContact N-O 3.1Å; A152-I189 HydrophobicContact CB-CD1 3.86Å; A152-I189 WeakPolarHBondContact O-CD1 3.38Å
153D87.4Confident92.3Very high7 Ų728.7 Ų28.74%0.03717%0.167CC..Hα-helixtrans-63-41172.545.7-24.6000112.2E151 M156 N157 S182 A183 T184E151-D153 VanDerWaalsContact C-N 3.31Å; E151-D153 PolarHBondContact O-N 2.84Å; D153-M156 WeakPolarHBondContact O-CB 3.45Å; D153-M156 PolarHBondContact O-N 2.85Å; D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 VanDerWaalsContact O-CG 3.24Å; D153-N157 PolarHBondContact O-N 3.03Å; D153-N157 PolarHBondContact O-ND2 2.94Å; D153-S182 VanDerWaalsContact CB-OG 3.24Å; D153-S182 WeakPolarHBondContact CB-OG 3.45Å; D153-S182 PolarHBondContact N-OG 3.27Å; D153-S182 PolarHBondContact OD1-OG 2.86Å; D153-S182 PolarHBondContact OD2-OG 3.31Å; D153-A183 PolarHBondContact OD1-N 3Å; D153-A183 PolarHBondContact OD2-N 3.28Å; D153-T184 WeakPolarHBondContact CB-OG1 3.45Å; D153-T184 WeakPolarHBondContact OD2-CB 3.25Å; D153-T184 PolarHBondContact OD2-N 3.14Å; D153-T184 PolarHBondContact OD2-OG1 2.92Å
154E86Confident92.5Very high17 Ų1727 Ų278%0.07915%0.149CC..Hα-helixtrans-63.7-43.6173.1-72.1-58.8112.900111.8P77 E151 M156 N157 M158 H326P77-E154 HydrophobicContact CB-CB 4Å; P77-E154 HydrophobicContact CG-CB 3.98Å; E151-E154 HydrophobicContact CB-CB 4.09Å; E151-E154 HydrophobicContact CB-CG 4.2Å; E151-E154 WeakPolarHBondContact O-CB 3.35Å; E151-E154 PolarHBondContact O-N 3.25Å; E151-E154 VanDerWaalsContact O-N 3.1Å; E154-M156 VanDerWaalsContact C-N 3.29Å; E154-M156 PolarHBondContact O-N 2.91Å; E154-N157 PolarHBondContact O-N 3.33Å; E154-M158 WeakPolarHBondContact O-CB 3.47Å; E154-M158 VanDerWaalsContact O-CG 3.31Å; E154-M158 WeakPolarHBondContact O-CG 3.24Å; E154-M158 PolarHBondContact O-N 3.4Å; E154-H326 IonicContact OE1-CE1 3.8Å; E154-H326 PolarHBondContact OE1-CE1 2.8Å; E154-H326 IonicContact OE1-NE2 2.93Å; E154-H326 IonicContact OE2-CE1 2.62Å
155M90.8Very high92.5Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-57.8-43.2174-79.5-171.7-72.200111.7L75 P77 P127 L149 D150 E151 A152 M158 G159 F160 M164L75-M155 HydrophobicContact CB-CE 4.16Å; L75-M155 HydrophobicContact CB-SD 3.93Å; P77-M155 VanDerWaalsContact CA-CG 3.48Å; P77-M155 HydrophobicContact CB-CG 3.71Å; P77-M155 HydrophobicContact CG-CG 4.36Å; P127-M155 HydrophobicContact CG-CG 4.47Å; P127-M155 HydrophobicContact CG-SD 3.76Å; L149-M155 HydrophobicContact CB-CE 4.07Å; D150-M155 VanDerWaalsContact O-CE 3.28Å; D150-M155 WeakPolarHBondContact O-CE 3.35Å; E151-M155 PolarHBondContact O-N 3.25Å; E151-M155 VanDerWaalsContact O-N 3.07Å; A152-M155 HydrophobicContact CB-CE 4.35Å; A152-M155 PolarHBondContact O-N 3.37Å; M155-M158 PolarHBondContact O-N 3.19Å; M155-G159 PolarHBondContact O-N 2.85Å; M155-F160 HydrophobicContact CB-CB 4.29Å; M155-F160 HydrophobicContact CB-CD2 4.41Å; M155-F160 HydrophobicContact CG-CD2 4.36Å; M155-F160 WeakPolarHBondContact O-CB 3.44Å; M155-F160 PolarHBondContact O-N 3.39Å; M155-M164 HydrophobicContact CB-CE 3.79Å; M155-M164 HydrophobicContact CB-SD 3.73Å; M155-M164 HydrophobicContact CE-SD 3.63Å; M155-M164 HydrophobicContact CG-SD 4.4Å; M155-M164 HydrophobicContact SD-CG 4.26Å; M155-M164 HydrophobicContact SD-SD 3.89Å
156M88.6Confident92.6Very high35 Ų3531 Ų3117%0.17216%0.164CC..Hα-helixtrans-62.9-46175.7179.2-154.767.100111.5A152 D153 E154 M158 G159 I161 M164 P186 A188 I189A152-M156 PolarHBondContact O-N 2.97Å; D153-M156 WeakPolarHBondContact O-CB 3.45Å; D153-M156 PolarHBondContact O-N 2.85Å; E154-M156 VanDerWaalsContact C-N 3.29Å; E154-M156 PolarHBondContact O-N 2.91Å; M156-M158 PolarHBondContact O-N 3.21Å; M156-G159 WeakPolarHBondContact O-CA 3.41Å; M156-G159 PolarHBondContact O-N 3.46Å; M156-I161 HydrophobicContact CG-CB 4.31Å; M156-I161 HydrophobicContact CG-CD1 4.34Å; M156-M164 HydrophobicContact CB-CE 4.39Å; M156-P186 HydrophobicContact CE-CB 3.95Å; M156-P186 HydrophobicContact CE-CG 3.41Å; M156-P186 VanDerWaalsContact CE-CG 3.41Å; M156-P186 HydrophobicContact SD-CB 3.98Å; M156-P186 HydrophobicContact SD-CG 3.47Å; M156-P186 WeakPolarHBondContact SD-CG 3.38Å; M156-A188 HydrophobicContact CG-CB 4.28Å; M156-A188 HydrophobicContact SD-CB 3.73Å; M156-I189 HydrophobicContact CB-CD1 4.12Å; M156-I189 HydrophobicContact SD-CG1 4.21Å
157N80.8Confident92.6Very high78 Ų7831 Ų3142%0.41716%0.164SC..Hα-helixtrans-61.8-29.6177.9-73.5-17.5000112.4D153 E154 G159 E322D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 VanDerWaalsContact O-CG 3.24Å; D153-N157 PolarHBondContact O-N 3.03Å; D153-N157 PolarHBondContact O-ND2 2.94Å; E154-N157 PolarHBondContact O-N 3.33Å; N157-G159 PolarHBondContact O-N 2.9Å; N157-E322 PolarHBondContact ND2-OE1 3.42Å
158M86.3Confident92.5Very high67 Ų6731.1 Ų31.133%0.3316%0.164SC..THydrogen-bonded Turntrans-811173.3-68-179.269.900113.9P77 T78 E154 M155 M156 F160P77-M158 HydrophobicContact CB-SD 3.88Å; T78-M158 HydrophobicContact CG2-SD 4.33Å; E154-M158 WeakPolarHBondContact O-CB 3.47Å; E154-M158 VanDerWaalsContact O-CG 3.31Å; E154-M158 WeakPolarHBondContact O-CG 3.24Å; E154-M158 PolarHBondContact O-N 3.4Å; M155-M158 PolarHBondContact O-N 3.19Å; M156-M158 PolarHBondContact O-N 3.21Å; M158-F160 HydrophobicContact CB-CD2 3.84Å; M158-F160 HydrophobicContact CB-CE2 3.77Å; M158-F160 HydrophobicContact CB-CZ 4.39Å; M158-F160 HydrophobicContact CE-CE2 3.83Å; M158-F160 HydrophobicContact CE-CZ 4.24Å; M158-F160 HydrophobicContact SD-CE2 4.22Å
159G84.4Confident92.3Very high52 Ų5236.4 Ų36.454%0.53619%0.192SC..THydrogen-bonded Turntrans84.310178.900000114.6M155 M156 N157 I161M155-G159 PolarHBondContact O-N 2.85Å; M156-G159 WeakPolarHBondContact O-CA 3.41Å; M156-G159 PolarHBondContact O-N 3.46Å; N157-G159 PolarHBondContact O-N 2.9Å; G159-I161 PolarHBondContact O-N 3.1Å
160F93Very high92.2Very high46 Ų4641.5 Ų41.520%0.20221%0.214CC..THydrogen-bonded Turntrans-84.114.8-179.2-57.5-43.1000113.9P127 M155 M158 D162 D163 M164P127-F160 HydrophobicContact CB-CB 4.15Å; P127-F160 HydrophobicContact CB-CD1 4.49Å; P127-F160 HydrophobicContact CB-CG 4.2Å; P127-F160 HydrophobicContact CG-CB 3.94Å; P127-F160 HydrophobicContact CG-CD2 4.01Å; P127-F160 HydrophobicContact CG-CG 4.01Å; M155-F160 HydrophobicContact CB-CB 4.29Å; M155-F160 HydrophobicContact CB-CD2 4.41Å; M155-F160 HydrophobicContact CG-CD2 4.36Å; M155-F160 WeakPolarHBondContact O-CB 3.44Å; M155-F160 PolarHBondContact O-N 3.39Å; M158-F160 HydrophobicContact CB-CD2 3.84Å; M158-F160 HydrophobicContact CB-CE2 3.77Å; M158-F160 HydrophobicContact CB-CZ 4.39Å; M158-F160 HydrophobicContact CE-CE2 3.83Å; M158-F160 HydrophobicContact CE-CZ 4.24Å; M158-F160 HydrophobicContact SD-CE2 4.22Å; F160-D162 VanDerWaalsContact C-N 3.35Å; F160-D162 PolarHBondContact O-N 3.15Å; F160-D163 HydrophobicContact CB-CB 4.22Å; F160-D163 WeakPolarHBondContact CD1-OD2 3.46Å; F160-D163 PolarHBondContact O-N 3.34Å; F160-M164 WeakPolarHBondContact O-CG 3.2Å; F160-M164 PolarHBondContact O-N 2.74Å
161I93.8Very high92.1Very high27 Ų2741.4 Ų41.414%0.13821%0.214CC..Hα-helixtrans-60.3-43.8-177.6-171.559.4000112.4M156 G159 M164 R165 A188 L192M156-I161 HydrophobicContact CG-CB 4.31Å; M156-I161 HydrophobicContact CG-CD1 4.34Å; G159-I161 PolarHBondContact O-N 3.1Å; I161-M164 HydrophobicContact CD1-CE 3.86Å; I161-R165 WeakPolarHBondContact O-CG 3.42Å; I161-R165 PolarHBondContact O-N 3.39Å; I161-A188 HydrophobicContact CD1-CB 4.06Å; I161-A188 HydrophobicContact CG1-CB 4.17Å; I161-L192 HydrophobicContact CD1-CD1 3.57Å; I161-L192 HydrophobicContact CD1-CD2 4.42Å; I161-L192 HydrophobicContact CD1-CG 3.85Å
162D91.4Very high92.1Very high99 Ų9943 Ų4353%0.52923%0.227SC..Hα-helixtrans-77.2-30.9179.3-64.4-38.7000111.8F160 R165 F166F160-D162 VanDerWaalsContact C-N 3.35Å; F160-D162 PolarHBondContact O-N 3.15Å; D162-R165 PolarHBondContact O-N 2.94Å; D162-R165 IonicContact OD1-NH1 3.83Å; D162-R165 PolarHBondContact OD1-NH1 3.19Å; D162-F166 WeakPolarHBondContact O-CB 3.24Å; D162-F166 PolarHBondContact O-N 2.95Å
163D96.6Very high91.7Very high49 Ų4945.7 Ų45.726%0.26225%0.249SC..Hα-helixtrans-62.1-44171.4-72.9-2.3000111.3P127 I131 F160 F166 I167P127-D163 HydrophobicContact CB-CB 3.74Å; I131-D163 HydrophobicContact CD1-CB 3.55Å; I131-D163 VanDerWaalsContact CD1-CG 3.5Å; F160-D163 HydrophobicContact CB-CB 4.22Å; F160-D163 WeakPolarHBondContact CD1-OD2 3.46Å; F160-D163 PolarHBondContact O-N 3.34Å; D163-F166 PolarHBondContact O-N 3.27Å; D163-I167 WeakPolarHBondContact O-CD1 3.28Å; D163-I167 VanDerWaalsContact O-CG1 3.24Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 3.32Å
164M97.7Very high91.7Very high0 Ų051.6 Ų51.60%029%0.285CS..Hα-helixtrans-59.8-47.3174.9-74-172.9-71.500111L75 L149 M155 M156 F160 I161 F166 I167 M168 I189 L192L75-M164 HydrophobicContact CD1-CG 4.39Å; L149-M164 HydrophobicContact CD2-CB 4.45Å; L149-M164 HydrophobicContact CD2-CG 4.29Å; L149-M164 HydrophobicContact CD2-SD 3.77Å; M155-M164 HydrophobicContact CB-CE 3.79Å; M155-M164 HydrophobicContact CB-SD 3.73Å; M155-M164 HydrophobicContact CE-SD 3.63Å; M155-M164 HydrophobicContact CG-SD 4.4Å; M155-M164 HydrophobicContact SD-CG 4.26Å; M155-M164 HydrophobicContact SD-SD 3.89Å; M156-M164 HydrophobicContact CB-CE 4.39Å; F160-M164 WeakPolarHBondContact O-CG 3.2Å; F160-M164 PolarHBondContact O-N 2.74Å; I161-M164 HydrophobicContact CD1-CE 3.86Å; M164-F166 PolarHBondContact O-N 3.4Å; M164-I167 PolarHBondContact O-N 2.8Å; M164-M168 WeakPolarHBondContact O-CB 3.4Å; M164-M168 WeakPolarHBondContact O-CG 3.47Å; M164-M168 PolarHBondContact O-N 3.25Å; M164-I189 HydrophobicContact CE-CD1 4.44Å; M164-L192 HydrophobicContact CB-CD1 4.44Å; M164-L192 HydrophobicContact CE-CD1 3.99Å; M164-L192 HydrophobicContact SD-CD1 4.31Å
165R96.4Very high91.6Very high75 Ų7558.8 Ų58.828%0.28332%0.319SS..Hα-helixtrans-57.1-48.5175.9-70.4178.3170.7146.5-4.7111.8I161 D162 I167 M168 D169 L192 F196I161-R165 WeakPolarHBondContact O-CG 3.42Å; I161-R165 PolarHBondContact O-N 3.39Å; D162-R165 PolarHBondContact O-N 2.94Å; D162-R165 IonicContact OD1-NH1 3.83Å; D162-R165 PolarHBondContact OD1-NH1 3.19Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 2.69Å; R165-M168 PolarHBondContact O-N 3.33Å; R165-D169 PolarHBondContact O-N 3.38Å; R165-L192 HydrophobicContact CG-CD2 3.55Å; R165-F196 HydrophobicContact CB-CE2 4.38Å; R165-F196 HydrophobicContact CB-CZ 4.25Å; R165-F196 HydrophobicContact CG-CE2 3.99Å; R165-F196 HydrophobicContact CG-CZ 4.34Å
166F97Very high91.8Very high66 Ų6659.4 Ų59.429%0.28932%0.321SS..Hα-helixtrans-58.6-45.6179.1177-87.9000111.8I131 L134 D162 D163 M164 D169 K170I131-F166 HydrophobicContact CB-CE1 4.46Å; I131-F166 HydrophobicContact CD1-CD1 4Å; I131-F166 HydrophobicContact CG1-CD1 3.75Å; I131-F166 HydrophobicContact CG1-CE1 4.1Å; I131-F166 HydrophobicContact CG2-CD1 4.28Å; I131-F166 HydrophobicContact CG2-CE1 3.93Å; L134-F166 HydrophobicContact CD1-CE1 4.41Å; D162-F166 WeakPolarHBondContact O-CB 3.24Å; D162-F166 PolarHBondContact O-N 2.95Å; D163-F166 PolarHBondContact O-N 3.27Å; M164-F166 PolarHBondContact O-N 3.4Å; F166-D169 PolarHBondContact O-N 3.36Å; F166-K170 HydrophobicContact CD1-CG 4.37Å; F166-K170 HydrophobicContact CE1-CG 4Å; F166-K170 HydrophobicContact CZ-CG 4.22Å; F166-K170 WeakPolarHBondContact O-CG 3.44Å; F166-K170 PolarHBondContact O-N 2.9Å
167I97.7Very high92.3Very high0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-63.9-44178.4-66162.6000110.5L73 L75 P127 V130 I131 L134 D163 M164 R165 D169 K170 I171L73-I167 HydrophobicContact CD2-CG2 3.61Å; L75-I167 HydrophobicContact CD1-CB 4.31Å; L75-I167 HydrophobicContact CD1-CD1 3.81Å; L75-I167 HydrophobicContact CD1-CG2 4.04Å; L75-I167 HydrophobicContact CD2-CD1 3.91Å; L75-I167 HydrophobicContact CD2-CG2 4.44Å; P127-I167 HydrophobicContact CB-CD1 3.93Å; V130-I167 HydrophobicContact CB-CD1 4.06Å; V130-I167 HydrophobicContact CG1-CD1 3.91Å; V130-I167 HydrophobicContact CG1-CG1 4.04Å; V130-I167 HydrophobicContact CG1-CG2 4.15Å; I131-I167 HydrophobicContact CD1-CD1 4.4Å; I131-I167 HydrophobicContact CD1-CG1 4.31Å; I131-I167 HydrophobicContact CG1-CD1 4Å; I131-I167 HydrophobicContact CG1-CG1 3.73Å; L134-I167 HydrophobicContact CD1-CG1 4.12Å; L134-I167 HydrophobicContact CD1-CG2 4.42Å; D163-I167 WeakPolarHBondContact O-CD1 3.28Å; D163-I167 VanDerWaalsContact O-CG1 3.24Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 3.32Å; M164-I167 PolarHBondContact O-N 2.8Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 2.69Å; I167-D169 VanDerWaalsContact C-N 3.3Å; I167-D169 PolarHBondContact O-N 2.86Å; I167-K170 PolarHBondContact O-N 2.93Å; I167-K170 VanDerWaalsContact O-N 3.12Å; I167-I171 HydrophobicContact CG2-CD1 4.13Å; I167-I171 PolarHBondContact O-N 3.1Å
168M96.5Very high93.1Very high1 Ų154.3 Ų54.31%0.00529%0.294CS..Hα-helixtrans-61.6-36.6177.6-69.8178.3102.900112.2L147 L149 M164 R165 K170 I171 R176 T178 L192 F196L147-M168 HydrophobicContact CD2-CB 4.47Å; L147-M168 HydrophobicContact CD2-CE 4.08Å; L147-M168 HydrophobicContact CD2-CG 3.6Å; L149-M168 HydrophobicContact CD1-CE 4.01Å; L149-M168 HydrophobicContact CD2-CE 4.45Å; L149-M168 HydrophobicContact CD2-SD 4.19Å; M164-M168 WeakPolarHBondContact O-CB 3.4Å; M164-M168 WeakPolarHBondContact O-CG 3.47Å; M164-M168 PolarHBondContact O-N 3.25Å; R165-M168 PolarHBondContact O-N 3.33Å; M168-K170 VanDerWaalsContact C-N 3.3Å; M168-K170 PolarHBondContact O-N 3.07Å; M168-I171 PolarHBondContact O-N 2.96Å; M168-R176 PolarHBondContact O-NH1 2.96Å; M168-T178 HydrophobicContact CE-CG2 3.75Å; M168-L192 HydrophobicContact SD-CD2 4.15Å; M168-F196 HydrophobicContact CB-CD1 3.57Å; M168-F196 HydrophobicContact CB-CE1 3.55Å; M168-F196 HydrophobicContact CB-CG 4.09Å; M168-F196 HydrophobicContact CB-CZ 4.09Å; M168-F196 HydrophobicContact CE-CB 3.29Å; M168-F196 HydrophobicContact CE-CD1 4.38Å; M168-F196 HydrophobicContact CE-CD2 4.26Å; M168-F196 HydrophobicContact CE-CG 3.76Å; M168-F196 HydrophobicContact CG-CD1 4.42Å; M168-F196 HydrophobicContact CG-CG 4.49Å; M168-F196 HydrophobicContact SD-CB 3.96Å; M168-F196 HydrophobicContact SD-CD1 4.22Å; M168-F196 HydrophobicContact SD-CD2 3.77Å; M168-F196 HydrophobicContact SD-CE2 4.3Å; M168-F196 HydrophobicContact SD-CG 3.72Å
169D95Very high93.7Very high112 Ų11251.1 Ų51.160%0.59928%0.279SS*.Hα-helixtrans-69.2-26.3175.7-77.9-26.4000113.2R165 F166 I167 I171 F196R165-D169 PolarHBondContact O-N 3.38Å; F166-D169 PolarHBondContact O-N 3.36Å; I167-D169 VanDerWaalsContact C-N 3.3Å; I167-D169 PolarHBondContact O-N 2.86Å; D169-I171 VanDerWaalsContact C-N 3.34Å; D169-F196 VanDerWaalsContact OD1-CE1 3.25Å; D169-F196 WeakPolarHBondContact OD1-CE1 3.47Å
170K95Very high94.3Very high106 Ų10648.7 Ų48.746%0.46125%0.254SS..THydrogen-bonded Turntrans-82.5-7.7179.2-67.2-60.5-178.7-168.80114.3L134 T141 F166 I167 M168L134-K170 HydrophobicContact CD1-CB 4.14Å; L134-K170 HydrophobicContact CD1-CG 4.32Å; T141-K170 WeakPolarHBondContact CB-O 3.4Å; T141-K170 PolarHBondContact OG1-O 3.29Å; F166-K170 HydrophobicContact CD1-CG 4.37Å; F166-K170 HydrophobicContact CE1-CG 4Å; F166-K170 HydrophobicContact CZ-CG 4.22Å; F166-K170 WeakPolarHBondContact O-CG 3.44Å; F166-K170 PolarHBondContact O-N 2.9Å; I167-K170 PolarHBondContact O-N 2.93Å; I167-K170 VanDerWaalsContact O-N 3.12Å; M168-K170 VanDerWaalsContact C-N 3.3Å; M168-K170 PolarHBondContact O-N 3.07Å
171I94.6Very high94.4Very high3 Ų346.5 Ų46.52%0.01524%0.244CC..SBendtrans-105.6123.1-179.7-60.6168.3000109L73 T141 I144 L147 I167 M168 D169 A173 R176L73-I171 HydrophobicContact CD2-CD1 3.8Å; T141-I171 HydrophobicContact CG2-CG1 4.08Å; I144-I171 HydrophobicContact CB-CG2 4.09Å; I144-I171 HydrophobicContact CG2-CD1 4.36Å; I144-I171 HydrophobicContact CG2-CG2 3.89Å; L147-I171 HydrophobicContact CD1-CD1 3.87Å; L147-I171 HydrophobicContact CD2-CD1 4.15Å; L147-I171 HydrophobicContact CG-CD1 4.41Å; I167-I171 HydrophobicContact CG2-CD1 4.13Å; I167-I171 PolarHBondContact O-N 3.1Å; M168-I171 PolarHBondContact O-N 2.96Å; D169-I171 VanDerWaalsContact C-N 3.34Å; I171-A173 PolarHBondContact O-N 3.35Å; I171-R176 HydrophobicContact CG2-CG 4.26Å; I171-R176 PolarHBondContact O-NH1 3.42Å
172P91.2Very high94.3Very high62 Ų6245.2 Ų45.240%0.40324%0.237SC..  trans-51.4121.1-176-27.934.8000113.5V174 R176P172-V174 PolarHBondContact O-N 3.37Å; P172-R176 VanDerWaalsContact O-CB 3.31Å; P172-R176 WeakPolarHBondContact O-CB 3.23Å
173A86.4Confident94Very high57 Ų5742.4 Ų42.447%0.47123%0.228SC..SBendtrans-72-28.9-172.600000113.9I171 Q175 R176 K198I171-A173 PolarHBondContact O-N 3.35Å; A173-Q175 PolarHBondContact O-N 3.03Å; A173-R176 PolarHBondContact O-N 2.67Å; A173-K198 WeakPolarHBondContact O-CE 3.1Å; A173-K198 PolarHBondContact O-NZ 2.97Å
174V86.1Confident93.3Very high131 Ų13143.4 Ų43.479%0.79424%0.236SC*.THydrogen-bonded Turntrans-57.9-50.6-166.4-177.80000112.6P172 K198P172-V174 PolarHBondContact O-N 3.37Å; V174-K198 PolarHBondContact O-NZ 3.5Å
175Q84.9Confident92.9Very high169 Ų16945.4 Ų45.479%0.7925%0.245SC*.THydrogen-bonded Turntrans-1078.3-177.5-65.2-173.9-15.400113.7A173A173-Q175 PolarHBondContact O-N 3.03Å
176R95.3Very high92.3Very high12 Ų1243.6 Ų43.65%0.04524%0.244CC..  trans-75.6128.4178.4-174.6-178.778.4-152.44.6111.5H145 L147 M168 I171 P172 A173 T178 F196 K198H145-R176 CarbonylContact O-C 3.5Å; H145-R176 WeakPolarHBondContact O-CA 3.44Å; L147-R176 HydrophobicContact CB-CG 4.26Å; M168-R176 PolarHBondContact O-NH1 2.96Å; I171-R176 HydrophobicContact CG2-CG 4.26Å; I171-R176 PolarHBondContact O-NH1 3.42Å; P172-R176 VanDerWaalsContact O-CB 3.31Å; P172-R176 WeakPolarHBondContact O-CB 3.23Å; A173-R176 PolarHBondContact O-N 2.67Å; R176-T178 PolarHBondContact NE-OG1 3.42Å; R176-T178 VanDerWaalsContact NE-OG1 3.08Å; R176-F196 PolarHBondContact NH2-O 3.41Å; R176-F196 VanDerWaalsContact NH2-O 3.17Å; R176-K198 PolarHBondContact O-NZ 2.81Å; R176-K198 VanDerWaalsContact O-NZ 3.07Å
177Q98Very high91.8Very high6 Ų649.1 Ų49.13%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-89.4133.6156.6-178.9-172.12500109A36 G39 I40 D41 H145 T146 L147 M179A36-Q177 PolarHBondContact O-NE2 2.86Å; G39-Q177 WeakPolarHBondContact O-CG 3.35Å; I40-Q177 PolarHBondContact O-NE2 3.45Å; D41-Q177 VanDerWaalsContact OD1-CA 3.3Å; D41-Q177 WeakPolarHBondContact OD1-CA 3.2Å; H145-Q177 PolarHBondContact O-N 3.23Å; T146-Q177 WeakPolarHBondContact CA-O 3.41Å; L147-Q177 PolarHBondContact N-O 3.08Å; Q177-M179 HydrophobicContact CG-CG 4.36Å
178T98.3Very high91.4Very high0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-117.9126.3175.9-52.40000110.2D41 I42 L147 L149 M168 R176 M197D41-T178 CarbonylContact C-O 3.53Å; D41-T178 WeakPolarHBondContact CA-O 3.47Å; D41-T178 WeakPolarHBondContact CB-O 2.95Å; D41-T178 PolarHBondContact OD1-N 3.22Å; I42-T178 PolarHBondContact N-O 3.34Å; L147-T178 CarbonylContact O-C 3.57Å; L147-T178 WeakPolarHBondContact O-CA 3.41Å; L149-T178 HydrophobicContact CD1-CG2 3.85Å; M168-T178 HydrophobicContact CE-CG2 3.75Å; R176-T178 PolarHBondContact NE-OG1 3.42Å; R176-T178 VanDerWaalsContact NE-OG1 3.08Å; T178-M197 HydrophobicContact CG2-CE 4.32Å; T178-M197 HydrophobicContact CG2-CG 3.95Å; T178-M197 HydrophobicContact CG2-SD 4.5Å; T178-M197 WeakPolarHBondContact O-CE 3.17Å
179M98.3Very high91.1Very high1 Ų150.6 Ų50.61%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-119.5120.9173.1-57.1-177.7-89.500109.4A36 I42 F56 T146 L147 I148 L149 Q177 F181A36-M179 HydrophobicContact CB-SD 3.98Å; I42-M179 HydrophobicContact CB-CB 4.27Å; I42-M179 HydrophobicContact CB-CG 4.02Å; I42-M179 HydrophobicContact CD1-CG 4.49Å; I42-M179 HydrophobicContact CD1-SD 4.15Å; I42-M179 HydrophobicContact CG1-CG 4.35Å; I42-M179 CarbonylContact O-C 3.47Å; I42-M179 WeakPolarHBondContact O-CA 3.34Å; F56-M179 HydrophobicContact CB-CE 4.26Å; F56-M179 HydrophobicContact CB-SD 4.22Å; T146-M179 HydrophobicContact CG2-CE 3.62Å; L147-M179 PolarHBondContact O-N 2.94Å; I148-M179 CarbonylContact C-O 3.58Å; I148-M179 VanDerWaalsContact CA-O 3.27Å; I148-M179 WeakPolarHBondContact CA-O 3.42Å; I148-M179 HydrophobicContact CD1-CE 3.81Å; I148-M179 HydrophobicContact CG1-CB 4.2Å; I148-M179 HydrophobicContact CG1-CE 3.65Å; L149-M179 PolarHBondContact N-O 3.36Å; Q177-M179 HydrophobicContact CG-CG 4.36Å; M179-F181 HydrophobicContact CB-CE2 3.76Å
180L97.6Very high91.1Very high1 Ų149.5 Ų49.51%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-115.3125.3-179.2-171.9155000109.1I42 L43 G44 L149 A152 I189 V193 M197I42-L180 PolarHBondContact O-N 2.76Å; L43-L180 WeakPolarHBondContact CA-O 3.39Å; L43-L180 HydrophobicContact CD1-CB 4.33Å; L43-L180 HydrophobicContact CD1-CD2 3.59Å; L43-L180 HydrophobicContact CD1-CG 4.49Å; G44-L180 PolarHBondContact N-O 2.84Å; L149-L180 HydrophobicContact CB-CG 4.2Å; L149-L180 HydrophobicContact CD2-CD1 4.44Å; A152-L180 HydrophobicContact CB-CD1 4.19Å; A152-L180 HydrophobicContact CB-CD2 3.83Å; A152-L180 HydrophobicContact CB-CG 3.9Å; L180-I189 HydrophobicContact CD1-CG2 4.25Å; L180-I189 HydrophobicContact CD2-CG2 3.91Å; L180-V193 HydrophobicContact CD1-CG2 4.15Å; L180-M197 HydrophobicContact CB-CE 4.22Å; L180-M197 HydrophobicContact CB-SD 4.03Å
181F95.4Very high91Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-117.8129.8177.1-65.7-93.8000110.5I28 I42 G44 K52 A55 F56 I148 L149 E151 A152 M179I28-F181 HydrophobicContact CD1-CD1 4.23Å; I28-F181 HydrophobicContact CD1-CE1 4.17Å; I42-F181 HydrophobicContact CG2-CZ 4.34Å; G44-F181 VanDerWaalsContact O-CA 3.29Å; G44-F181 WeakPolarHBondContact O-CA 3.31Å; K52-F181 HydrophobicContact CB-CD1 4.4Å; K52-F181 HydrophobicContact CD-CB 4.21Å; K52-F181 HydrophobicContact CD-CD1 4.36Å; K52-F181 HydrophobicContact CG-CD1 4.27Å; A55-F181 HydrophobicContact CB-CE1 4.13Å; A55-F181 HydrophobicContact CB-CZ 4.4Å; F56-F181 HydrophobicContact CB-CD2 4.5Å; F56-F181 HydrophobicContact CB-CE2 3.58Å; F56-F181 HydrophobicContact CB-CZ 3.87Å; F56-F181 AromaticContact CD1-CD2 3.72Å; F56-F181 HydrophobicContact CD1-CD2 3.72Å; F56-F181 AromaticContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CG 4.32Å; F56-F181 HydrophobicContact CD1-CZ 4.06Å; F56-F181 HydrophobicContact CE1-CD2 4.42Å; F56-F181 HydrophobicContact CG-CD2 4.5Å; F56-F181 HydrophobicContact CG-CE2 4.01Å; F56-F181 HydrophobicContact CG-CZ 4.49Å; I148-F181 HydrophobicContact CG2-CD2 4.42Å; L149-F181 PolarHBondContact O-N 3.38Å; E151-F181 PolarHBondContact N-O 2.62Å; E151-F181 VanDerWaalsContact N-O 3.1Å; A152-F181 PolarHBondContact N-O 2.97Å; A152-F181 VanDerWaalsContact N-O 3.1Å; M179-F181 HydrophobicContact CB-CE2 3.76Å
182S91.5Very high91Very high0 Ų045.9 Ų45.90%026%0.262CS..EExtended strand (participates in β ladder)trans-155147.8-174.7-162.50000110.8G44 Q45 A46 D153 T184G44-S182 PolarHBondContact O-N 3.13Å; Q45-S182 VanDerWaalsContact CA-O 3.29Å; Q45-S182 WeakPolarHBondContact CA-O 3.3Å; A46-S182 PolarHBondContact N-O 3.17Å; A46-S182 VanDerWaalsContact N-O 3.14Å; D153-S182 VanDerWaalsContact CB-OG 3.24Å; D153-S182 WeakPolarHBondContact CB-OG 3.45Å; D153-S182 PolarHBondContact N-OG 3.27Å; D153-S182 PolarHBondContact OD1-OG 2.86Å; D153-S182 PolarHBondContact OD2-OG 3.31Å; S182-T184 WeakPolarHBondContact CB-O 3.32Å; S182-T184 PolarHBondContact OG-O 3.08Å
183A84.7Confident91.2Very high40 Ų4043.8 Ų43.833%0.33125%0.247SC..SBendtrans-79.4-40.7175.400000110.6Q45 D153Q45-A183 PolarHBondContact NE2-O 3.15Å; D153-A183 PolarHBondContact OD1-N 3Å; D153-A183 PolarHBondContact OD2-N 3.28Å
184T82.4Confident91.6Very high70 Ų7048.8 Ų48.843%0.42926%0.261SS..  trans-112.3165.3-178.267.60000111.8D153 S182 P186D153-T184 WeakPolarHBondContact CB-OG1 3.45Å; D153-T184 WeakPolarHBondContact OD2-CB 3.25Å; D153-T184 PolarHBondContact OD2-N 3.14Å; D153-T184 PolarHBondContact OD2-OG1 2.92Å; S182-T184 WeakPolarHBondContact CB-O 3.32Å; S182-T184 PolarHBondContact OG-O 3.08Å; T184-P186 VanDerWaalsContact C-CD 3.42Å
185M89.1Confident92Very high41 Ų4147.9 Ų47.920%0.20225%0.248CC..  trans-128.664.7179.9-73.4-61.5-57.800111.5L43 Q45 I189 Q190 V193L43-M185 HydrophobicContact CD1-CE 4.12Å; L43-M185 HydrophobicContact CD1-SD 3.9Å; L43-M185 HydrophobicContact CD2-CE 3.78Å; L43-M185 HydrophobicContact CD2-SD 4.29Å; Q45-M185 HydrophobicContact CG-CG 4.41Å; M185-I189 HydrophobicContact CE-CG2 3.89Å; M185-I189 HydrophobicContact SD-CG2 3.87Å; M185-Q190 HydrophobicContact CE-CG 3.88Å; M185-Q190 PolarHBondContact O-NE2 3.13Å; M185-V193 HydrophobicContact CE-CG2 4.29Å
186P82.4Confident92.5Very high38 Ų3840.8 Ų40.825%0.24722%0.215CC..  trans-66.2160.1175.929-34.4000111.1M156 T184 A188 I189 Q190M156-P186 HydrophobicContact CE-CB 3.95Å; M156-P186 HydrophobicContact CE-CG 3.41Å; M156-P186 VanDerWaalsContact CE-CG 3.41Å; M156-P186 HydrophobicContact SD-CB 3.98Å; M156-P186 HydrophobicContact SD-CG 3.47Å; M156-P186 WeakPolarHBondContact SD-CG 3.38Å; T184-P186 VanDerWaalsContact C-CD 3.42Å; P186-A188 PolarHBondContact O-N 3.08Å; P186-A188 VanDerWaalsContact O-N 3.09Å; P186-I189 HydrophobicContact CG-CB 4.18Å; P186-I189 HydrophobicContact CG-CG1 3.74Å; P186-I189 PolarHBondContact O-N 3.31Å; P186-Q190 PolarHBondContact O-N 3.12Å
187K87.1Confident92.5Very high182 Ų18241 Ų4179%0.79122%0.217SC*.Hα-helixtrans-53.8-35.5-174.5-71.6-174.7178.2-179.80113.7Q190 A191K187-Q190 PolarHBondContact O-N 3.09Å; K187-A191 WeakPolarHBondContact O-CB 3.5Å; K187-A191 PolarHBondContact O-N 2.99Å
188A89Confident92.4Very high32 Ų3245.6 Ų45.626%0.26424%0.237SC..Hα-helixtrans-69.9-36.7179.700000112.7M156 I161 P186 A191 L192M156-A188 HydrophobicContact CG-CB 4.28Å; M156-A188 HydrophobicContact SD-CB 3.73Å; I161-A188 HydrophobicContact CD1-CB 4.06Å; I161-A188 HydrophobicContact CG1-CB 4.17Å; P186-A188 PolarHBondContact O-N 3.08Å; P186-A188 VanDerWaalsContact O-N 3.09Å; A188-A191 PolarHBondContact O-N 3.24Å; A188-L192 PolarHBondContact O-N 2.88Å
189I91.7Very high92.2Very high0 Ų051.2 Ų51.20%028%0.275CS..Hα-helixtrans-68.6-41.6172.4-63.1-56.6000110.6A152 M156 M164 L180 M185 P186 A191 L192 V193A152-I189 HydrophobicContact CB-CD1 3.86Å; A152-I189 WeakPolarHBondContact O-CD1 3.38Å; M156-I189 HydrophobicContact CB-CD1 4.12Å; M156-I189 HydrophobicContact SD-CG1 4.21Å; M164-I189 HydrophobicContact CE-CD1 4.44Å; L180-I189 HydrophobicContact CD1-CG2 4.25Å; L180-I189 HydrophobicContact CD2-CG2 3.91Å; M185-I189 HydrophobicContact CE-CG2 3.89Å; M185-I189 HydrophobicContact SD-CG2 3.87Å; P186-I189 HydrophobicContact CG-CB 4.18Å; P186-I189 HydrophobicContact CG-CG1 3.74Å; P186-I189 PolarHBondContact O-N 3.31Å; I189-A191 VanDerWaalsContact C-N 3.25Å; I189-A191 PolarHBondContact O-N 3.11Å; I189-L192 HydrophobicContact CD1-CD1 4.08Å; I189-L192 WeakPolarHBondContact O-CB 3.14Å; I189-L192 PolarHBondContact O-N 2.84Å; I189-L192 VanDerWaalsContact O-N 3.13Å; I189-V193 WeakPolarHBondContact O-CG2 3.46Å; I189-V193 PolarHBondContact O-N 3.2Å
190Q93.1Very high92.1Very high88 Ų8852.5 Ų52.541%0.41128%0.284SS..Hα-helixtrans-58.2-40.1173.4-63.8179.227.300111.9M185 P186 K187 V193 Q194M185-Q190 HydrophobicContact CE-CG 3.88Å; M185-Q190 PolarHBondContact O-NE2 3.13Å; P186-Q190 PolarHBondContact O-N 3.12Å; K187-Q190 PolarHBondContact O-N 3.09Å; Q190-V193 PolarHBondContact O-N 2.87Å; Q190-Q194 WeakPolarHBondContact O-CG 3.41Å; Q190-Q194 PolarHBondContact O-N 2.86Å
191A93.9Very high92.1Very high33 Ų3356.4 Ų56.427%0.27330%0.301SS..Hα-helixtrans-65.4-40.5175.500000112.3K187 A188 I189 V193 Q194 Q195K187-A191 WeakPolarHBondContact O-CB 3.5Å; K187-A191 PolarHBondContact O-N 2.99Å; A188-A191 PolarHBondContact O-N 3.24Å; I189-A191 VanDerWaalsContact C-N 3.25Å; I189-A191 PolarHBondContact O-N 3.11Å; A191-V193 VanDerWaalsContact C-N 3.34Å; A191-V193 PolarHBondContact O-N 2.64Å; A191-Q194 PolarHBondContact O-N 2.82Å; A191-Q195 VanDerWaalsContact O-CB 3.23Å; A191-Q195 WeakPolarHBondContact O-CB 3.31Å; A191-Q195 PolarHBondContact O-N 2.81Å
192L94.3Very high92Very high1 Ų161 Ų611%0.00533%0.325CS..Hα-helixtrans-59.1-46.2172.9-79.1-178000111.7I161 M164 R165 M168 A188 I189 Q194 Q195 F196I161-L192 HydrophobicContact CD1-CD1 3.57Å; I161-L192 HydrophobicContact CD1-CD2 4.42Å; I161-L192 HydrophobicContact CD1-CG 3.85Å; M164-L192 HydrophobicContact CB-CD1 4.44Å; M164-L192 HydrophobicContact CE-CD1 3.99Å; M164-L192 HydrophobicContact SD-CD1 4.31Å; R165-L192 HydrophobicContact CG-CD2 3.55Å; M168-L192 HydrophobicContact SD-CD2 4.15Å; A188-L192 PolarHBondContact O-N 2.88Å; I189-L192 HydrophobicContact CD1-CD1 4.08Å; I189-L192 WeakPolarHBondContact O-CB 3.14Å; I189-L192 PolarHBondContact O-N 2.84Å; I189-L192 VanDerWaalsContact O-N 3.13Å; L192-Q194 PolarHBondContact O-N 3.16Å; L192-Q195 PolarHBondContact O-N 2.82Å; L192-F196 HydrophobicContact CD2-CD2 3.77Å; L192-F196 HydrophobicContact CD2-CE2 3.74Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.06Å
193V95.1Very high92.1Very high17 Ų1761.3 Ų61.310%0.10333%0.326CS..Hα-helixtrans-58.8-49.5178.3173.30000110.5L43 L180 M185 I189 Q190 A191 Q195 M197 P200L43-V193 HydrophobicContact CD1-CG2 3.92Å; L43-V193 HydrophobicContact CD2-CG1 4.28Å; L43-V193 HydrophobicContact CD2-CG2 4.2Å; L180-V193 HydrophobicContact CD1-CG2 4.15Å; M185-V193 HydrophobicContact CE-CG2 4.29Å; I189-V193 WeakPolarHBondContact O-CG2 3.46Å; I189-V193 PolarHBondContact O-N 3.2Å; Q190-V193 PolarHBondContact O-N 2.87Å; A191-V193 VanDerWaalsContact C-N 3.34Å; A191-V193 PolarHBondContact O-N 2.64Å; V193-Q195 VanDerWaalsContact C-N 3.32Å; V193-Q195 PolarHBondContact O-N 3.13Å; V193-M197 HydrophobicContact CB-SD 4.07Å; V193-M197 HydrophobicContact CG1-SD 3.89Å; V193-M197 HydrophobicContact CG2-SD 3.8Å; V193-M197 WeakPolarHBondContact O-CB 3.3Å; V193-M197 PolarHBondContact O-N 3.42Å; V193-M197 VanDerWaalsContact O-N 3.13Å; V193-P200 HydrophobicContact CG1-CG 3.88Å
194Q95.4Very high92.2Very high162 Ų16265.4 Ų65.476%0.75734%0.337SS*.Hα-helixtrans-63.9-36179.9-73.11780.800113.1Q190 A191 L192Q190-Q194 WeakPolarHBondContact O-CG 3.41Å; Q190-Q194 PolarHBondContact O-N 2.86Å; A191-Q194 PolarHBondContact O-N 2.82Å; L192-Q194 PolarHBondContact O-N 3.16Å
195Q94.6Very high91.9Very high113 Ų11363.3 Ų63.353%0.52832%0.324SS..Hα-helixtrans-81.4-36.7-175.5-177179.1-4.800113A191 L192 V193A191-Q195 VanDerWaalsContact O-CB 3.23Å; A191-Q195 WeakPolarHBondContact O-CB 3.31Å; A191-Q195 PolarHBondContact O-N 2.81Å; L192-Q195 PolarHBondContact O-N 2.82Å; V193-Q195 VanDerWaalsContact C-N 3.32Å; V193-Q195 PolarHBondContact O-N 3.13Å
196F95.2Very high90.4Very high19 Ų1969 Ų698%0.08335%0.352CS..Hα-helixtrans-118.9-9.6-164.9-68.7-79.1000115.9R165 M168 D169 R176 L192R165-F196 HydrophobicContact CB-CE2 4.38Å; R165-F196 HydrophobicContact CB-CZ 4.25Å; R165-F196 HydrophobicContact CG-CE2 3.99Å; R165-F196 HydrophobicContact CG-CZ 4.34Å; M168-F196 HydrophobicContact CB-CD1 3.57Å; M168-F196 HydrophobicContact CB-CE1 3.55Å; M168-F196 HydrophobicContact CB-CG 4.09Å; M168-F196 HydrophobicContact CB-CZ 4.09Å; M168-F196 HydrophobicContact CE-CB 3.29Å; M168-F196 HydrophobicContact CE-CD1 4.38Å; M168-F196 HydrophobicContact CE-CD2 4.26Å; M168-F196 HydrophobicContact CE-CG 3.76Å; M168-F196 HydrophobicContact CG-CD1 4.42Å; M168-F196 HydrophobicContact CG-CG 4.49Å; M168-F196 HydrophobicContact SD-CB 3.96Å; M168-F196 HydrophobicContact SD-CD1 4.22Å; M168-F196 HydrophobicContact SD-CD2 3.77Å; M168-F196 HydrophobicContact SD-CE2 4.3Å; M168-F196 HydrophobicContact SD-CG 3.72Å; D169-F196 VanDerWaalsContact OD1-CE1 3.25Å; D169-F196 WeakPolarHBondContact OD1-CE1 3.47Å; R176-F196 PolarHBondContact NH2-O 3.41Å; R176-F196 VanDerWaalsContact NH2-O 3.17Å; L192-F196 HydrophobicContact CD2-CD2 3.77Å; L192-F196 HydrophobicContact CD2-CE2 3.74Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.06Å
197M96.4Very high88.8Confident17 Ų1769.7 Ų69.78%0.08435%0.353CS..  trans-109.4144-178.3-55-178.475.800111.8D41 I42 T178 L180 V193 P200D41-M197 HydrophobicContact CB-CB 4.39Å; D41-M197 HydrophobicContact CB-CE 4.02Å; D41-M197 WeakPolarHBondContact OD2-CA 3.47Å; D41-M197 WeakPolarHBondContact OD2-CB 3.16Å; I42-M197 WeakPolarHBondContact O-CE 3.3Å; T178-M197 HydrophobicContact CG2-CE 4.32Å; T178-M197 HydrophobicContact CG2-CG 3.95Å; T178-M197 HydrophobicContact CG2-SD 4.5Å; T178-M197 WeakPolarHBondContact O-CE 3.17Å; L180-M197 HydrophobicContact CB-CE 4.22Å; L180-M197 HydrophobicContact CB-SD 4.03Å; V193-M197 HydrophobicContact CB-SD 4.07Å; V193-M197 HydrophobicContact CG1-SD 3.89Å; V193-M197 HydrophobicContact CG2-SD 3.8Å; V193-M197 WeakPolarHBondContact O-CB 3.3Å; V193-M197 PolarHBondContact O-N 3.42Å; V193-M197 VanDerWaalsContact O-N 3.13Å; M197-P200 HydrophobicContact CB-CB 4.25Å; M197-P200 HydrophobicContact CB-CG 4.06Å; M197-P200 HydrophobicContact CE-CB 3.72Å; M197-P200 HydrophobicContact CE-CG 4.43Å; M197-P200 HydrophobicContact SD-CB 4.38Å; M197-P200 HydrophobicContact SD-CG 4.49Å
198K94.5Very high86.4Confident103 Ų10367.9 Ų67.945%0.44835%0.352SS..SBendtrans-101.299-177.4-59.1171.2-167.2156.70110.2D41 A173 V174 R176D41-K198 PolarHBondContact OD2-N 3.38Å; A173-K198 WeakPolarHBondContact O-CE 3.1Å; A173-K198 PolarHBondContact O-NZ 2.97Å; V174-K198 PolarHBondContact O-NZ 3.5Å; R176-K198 PolarHBondContact O-NZ 2.81Å; R176-K198 VanDerWaalsContact O-NZ 3.07Å
199S93.6Very high84Confident117 Ų11775 Ų7582%0.81838%0.38SS*.SBendtrans44.956.9177.9-60.40000112.9
200P96.6Very high81.4Confident29 Ų2983.8 Ų83.819%0.18842%0.423CS..  trans-64.5140.7-170.227.5-35.4000111.7D41 L43 V193 M197 I202D41-P200 HydrophobicContact CB-CB 3.94Å; D41-P200 CarbonylContact O-C 3.43Å; D41-P200 VanDerWaalsContact O-CA 3.23Å; D41-P200 WeakPolarHBondContact O-CA 3.32Å; L43-P200 HydrophobicContact CB-CB 4.37Å; V193-P200 HydrophobicContact CG1-CG 3.88Å; M197-P200 HydrophobicContact CB-CB 4.25Å; M197-P200 HydrophobicContact CB-CG 4.06Å; M197-P200 HydrophobicContact CE-CB 3.72Å; M197-P200 HydrophobicContact CE-CG 4.43Å; M197-P200 HydrophobicContact SD-CB 4.38Å; M197-P200 HydrophobicContact SD-CG 4.49Å; P200-I202 PolarHBondContact O-N 2.86Å
201K97.3Very high78.9Confident82 Ų8282.2 Ų82.236%0.35742%0.422SS..EExtended strand (participates in β ladder)trans-68.5115.9165.7-178.967.5-178.9-171.40108.4Y35 I40 D41 L43 I203Y35-K201 HydrophobicContact CD1-CG 4.38Å; Y35-K201 HydrophobicContact CD2-CD 4.4Å; Y35-K201 HydrophobicContact CD2-CG 3.78Å; Y35-K201 HydrophobicContact CE1-CD 4.28Å; Y35-K201 HydrophobicContact CE2-CD 4.05Å; Y35-K201 HydrophobicContact CE2-CG 3.9Å; Y35-K201 HydrophobicContact CG-CB 4.38Å; Y35-K201 HydrophobicContact CG-CG 4.02Å; Y35-K201 PolarHBondContact OH-NZ 3.42Å; I40-K201 HydrophobicContact CG2-CB 4.27Å; D41-K201 PolarHBondContact O-N 3.28Å; L43-K201 PolarHBondContact N-O 3.4Å; K201-I203 HydrophobicContact CG-CD1 4.43Å; K201-I203 HydrophobicContact CG-CG1 4.04Å
202I95.2Very high76.8Confident98 Ų9883.2 Ų83.250%0.50342%0.423SS..EExtended strand (participates in β ladder)trans-83.9120.8175.5-53.5179.7000108.5L43 P200 K204L43-I202 HydrophobicContact CB-CG1 4.45Å; L43-I202 HydrophobicContact CD2-CG1 4.27Å; L43-I202 HydrophobicContact CD2-CG2 4.43Å; P200-I202 PolarHBondContact O-N 2.86Å; I202-K204 HydrophobicContact CG2-CD 4.47Å; I202-K204 HydrophobicContact CG2-CG 3.97Å
203I92.8Very high74.9Confident6 Ų685.3 Ų85.33%0.03144%0.437CS..EExtended strand (participates in β ladder)trans-118.3114.6177.2-58.9171.3000106.6I28 D31 S32 I42 L43 Q45 K201I28-I203 HydrophobicContact CG1-CG2 4.41Å; D31-I203 HydrophobicContact CB-CG2 3.8Å; D31-I203 WeakPolarHBondContact O-CD1 3.48Å; S32-I203 VanDerWaalsContact CB-CD1 3.42Å; I42-I203 HydrophobicContact CG2-CD1 3.78Å; I42-I203 HydrophobicContact CG2-CG1 4.46Å; L43-I203 PolarHBondContact O-N 3.03Å; Q45-I203 PolarHBondContact N-O 3.33Å; K201-I203 HydrophobicContact CG-CD1 4.43Å; K201-I203 HydrophobicContact CG-CG1 4.04Å
204K87.6Confident73.9Confident126 Ų12690 Ų9055%0.54846%0.457SS..EExtended strand (participates in β ladder)trans-116.1109.1176.4-61.9-173.4175.9-178.60108Q45 I202 M206Q45-K204 HydrophobicContact CB-CG 4.16Å; I202-K204 HydrophobicContact CG2-CD 4.47Å; I202-K204 HydrophobicContact CG2-CG 3.97Å; K204-M206 PolarHBondContact O-N 3.33Å
205T75.6Confident73.6Confident26 Ų2683.2 Ų83.216%0.1643%0.426CS..  trans-87.594.1161.650.90000106.5P27 I28 Q45 A46P27-T205 HydrophobicContact CB-CG2 4.1Å; I28-T205 HydrophobicContact CB-CG2 3.79Å; Q45-T205 PolarHBondContact O-N 2.89Å; A46-T205 WeakPolarHBondContact CB-OG1 3.44Å
206M57.2Low73.6Confident160 Ų16083 Ų8379%0.78843%0.425SS*.  trans-72.4131.6161.2-65.9-142-101.600106.8K204 N208K204-M206 PolarHBondContact O-N 3.33Å; M206-N208 VanDerWaalsContact C-N 3.29Å; M206-N208 PolarHBondContact O-N 2.91Å
207N47.8Very low73.6Confident53 Ų5383.5 Ų83.528%0.28343%0.428SS..  trans-61.796.5171.9-686.1000107.4Q47 E209 S211Q47-N207 PolarHBondContact OE1-ND2 2.93Å; N207-E209 PolarHBondContact O-N 2.82Å; N207-S211 PolarHBondContact ND2-O 3.47Å; N207-S211 PolarHBondContact ND2-OG 3.21Å; N207-S211 PolarHBondContact OD1-OG 2.86Å
208N37.7Very low73.6Confident143 Ų14384.4 Ų84.477%0.76543%0.431SS*.  trans-71.883.3155.7-83.1-3.6000105.9M206 M210M206-N208 VanDerWaalsContact C-N 3.29Å; M206-N208 PolarHBondContact O-N 2.91Å; N208-M210 PolarHBondContact O-N 3.29Å
209E38.9Very low73.8Confident182 Ų18281.6 Ų81.685%0.8542%0.418SS*.SBendtrans51.4-6.9161.3-62.1-178164.300119.8N207N207-E209 PolarHBondContact O-N 2.82Å
210M35.9Very low74Confident184 Ų18476 Ų7691%0.90638%0.379SS*.SBendtrans-105.3-4.6-172.8-78-148.670.400115N208N208-M210 PolarHBondContact O-N 3.29Å
211S42Very low74.1Confident55 Ų5578.1 Ų78.139%0.38539%0.388SS..  trans-128.726.117372.80000111.9N207 P213N207-S211 PolarHBondContact ND2-O 3.47Å; N207-S211 PolarHBondContact ND2-OG 3.21Å; N207-S211 PolarHBondContact OD1-OG 2.86Å; S211-P213 WeakPolarHBondContact O-CD 3.49Å; S211-P213 VanDerWaalsContact O-N 3.15Å
212D49.6Very low74Confident55 Ų5574.5 Ų74.529%0.29437%0.373SS..SBendtrans-61.3115.6155.8-154.519.2000104.7Q214 R361D212-Q214 PolarHBondContact O-N 2.91Å; D212-Q214 PolarHBondContact O-NE2 3.36Å; D212-R361 IonicContact OD1-CZ 3.77Å; D212-R361 VanDerWaalsContact OD1-CZ 3.31Å; D212-R361 IonicContact OD1-NH1 3.54Å; D212-R361 PolarHBondContact OD1-NH1 2.92Å; D212-R361 IonicContact OD1-NH2 3.38Å; D212-R361 PolarHBondContact OD1-NH2 2.59Å; D212-R361 IonicContact OD2-CZ 3.98Å; D212-R361 IonicContact OD2-NH1 3.31Å; D212-R361 PolarHBondContact OD2-NH1 2.82Å; D212-R361 IonicContact OD2-NH2 2.95Å
213P53.2Low74.1Confident45 Ų4575.5 Ų75.529%0.29237%0.373SS..  trans-46.6123.3170.1-24.936.3000106.1S211 I215S211-P213 WeakPolarHBondContact O-CD 3.49Å; S211-P213 VanDerWaalsContact O-N 3.15Å; P213-I215 HydrophobicContact CB-CB 4.5Å; P213-I215 HydrophobicContact CB-CD1 3.37Å; P213-I215 HydrophobicContact CB-CG1 3.48Å; P213-I215 VanDerWaalsContact CB-CG1 3.48Å; P213-I215 HydrophobicContact CG-CD1 4.21Å; P213-I215 PolarHBondContact O-N 3.14Å
214Q75.8Confident74.1Confident114 Ų11475.9 Ų75.953%0.53338%0.375SS..  trans-71.467.7176.3-66.5-65.3-70.600107.1D212 E337 G338D212-Q214 PolarHBondContact O-N 2.91Å; D212-Q214 PolarHBondContact O-NE2 3.36Å; Q214-E337 HydrophobicContact CB-CB 4.46Å; Q214-E337 HydrophobicContact CB-CG 3.94Å; Q214-E337 CarbonylContact O-C 3.55Å; Q214-E337 WeakPolarHBondContact O-CA 3.37Å; Q214-G338 PolarHBondContact O-N 3.33Å
215I88.8Confident74.4Confident21 Ų2174.2 Ų74.211%0.10837%0.372CS..EExtended strand (participates in β ladder)trans-99.2113.1-178.2-61.5172.3000106.4P213 E217 I328 T331 G338 A340P213-I215 HydrophobicContact CB-CB 4.5Å; P213-I215 HydrophobicContact CB-CD1 3.37Å; P213-I215 HydrophobicContact CB-CG1 3.48Å; P213-I215 VanDerWaalsContact CB-CG1 3.48Å; P213-I215 HydrophobicContact CG-CD1 4.21Å; P213-I215 PolarHBondContact O-N 3.14Å; I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 3.33Å; I215-I328 HydrophobicContact CD1-CB 4.45Å; I215-I328 HydrophobicContact CD1-CD1 4.48Å; I215-I328 HydrophobicContact CD1-CG1 4.47Å; I215-I328 WeakPolarHBondContact CD1-O 3.36Å; I215-T331 HydrophobicContact CD1-CG2 4.08Å; I215-T331 HydrophobicContact CG1-CG2 4.06Å; I215-T331 HydrophobicContact CG2-CG2 4.18Å; I215-G338 CarbonylContact C-O 3.54Å; I215-G338 WeakPolarHBondContact CA-O 3.22Å; I215-A340 HydrophobicContact CG2-CB 3.58Å
216E93.2Very high75.3Confident109 Ų10976.9 Ų76.951%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-73.9112.7166.5-62-166.5166.400108.9F218 G338 I339 A340E216-F218 HydrophobicContact CB-CD2 4.31Å; E216-F218 HydrophobicContact CB-CE2 3.51Å; E216-F218 HydrophobicContact CB-CZ 4.01Å; E216-F218 WeakPolarHBondContact OE2-CE2 3.49Å; E216-F218 WeakPolarHBondContact OE2-CZ 3.33Å; E216-G338 PolarHBondContact N-O 3.09Å; E216-I339 HydrophobicContact CB-CG1 4.38Å; E216-A340 PolarHBondContact O-N 2.93Å
217E95.2Very high77.2Confident29 Ų2969.3 Ų69.314%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-96.9116.1-176.5-65.4175.6-109.900110.5I215 Y324 I328 M363 S364I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 3.33Å; E217-Y324 VanDerWaalsContact OE2-CE1 3.22Å; E217-Y324 WeakPolarHBondContact OE2-CE1 3.31Å; E217-Y324 PolarHBondContact OE2-OH 3.37Å; E217-I328 HydrophobicContact CG-CD1 4.02Å; E217-M363 HydrophobicContact CB-CG 4.13Å; E217-S364 PolarHBondContact O-N 3.47Å
218F97.7Very high79.5Confident35 Ų3567 Ų6715%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-117.5150.5177.5-60.7-78.9000112.4E216 I339 A340 V341 T342 S364 L366E216-F218 HydrophobicContact CB-CD2 4.31Å; E216-F218 HydrophobicContact CB-CE2 3.51Å; E216-F218 HydrophobicContact CB-CZ 4.01Å; E216-F218 WeakPolarHBondContact OE2-CE2 3.49Å; E216-F218 WeakPolarHBondContact OE2-CZ 3.33Å; F218-I339 HydrophobicContact CD2-CG2 3.99Å; F218-I339 HydrophobicContact CE2-CG2 4.09Å; F218-A340 PolarHBondContact N-O 2.7Å; F218-V341 HydrophobicContact CB-CG2 4.39Å; F218-T342 PolarHBondContact O-N 2.76Å; F218-S364 CarbonylContact C-O 3.6Å; F218-S364 WeakPolarHBondContact CA-O 3.29Å; F218-L366 HydrophobicContact CB-CB 3.85Å; F218-L366 HydrophobicContact CB-CD2 3.97Å; F218-L366 HydrophobicContact CD1-CB 3.85Å; F218-L366 HydrophobicContact CD1-CD1 4.25Å; F218-L366 HydrophobicContact CD1-CD2 4.17Å; F218-L366 HydrophobicContact CD1-CG 4.33Å; F218-L366 HydrophobicContact CD2-CD2 4.3Å; F218-L366 HydrophobicContact CE1-CD1 4.44Å; F218-L366 HydrophobicContact CG-CB 4.08Å; F218-L366 HydrophobicContact CG-CD2 3.89Å; F218-L366 HydrophobicContact CG-CG 4.48Å
219Y98Very high82.2Confident44 Ų4463.8 Ų63.817%0.17332%0.315CS..EExtended strand (participates in β ladder)trans-123.5144.4161.975.1-88.5000110.9I221 T342 V344 M349 I352 M363 S364 A365 L366Y219-I221 HydrophobicContact CD2-CG1 4.11Å; Y219-I221 HydrophobicContact CE2-CD1 4.07Å; Y219-I221 HydrophobicContact CE2-CG1 3.9Å; Y219-T342 CarbonylContact C-O 3.43Å; Y219-T342 VanDerWaalsContact CA-O 3.27Å; Y219-T342 WeakPolarHBondContact CA-O 3.4Å; Y219-V344 HydrophobicContact CD2-CG1 3.93Å; Y219-M349 HydrophobicContact CD2-CE 4.37Å; Y219-M349 HydrophobicContact CD2-SD 4.4Å; Y219-M349 HydrophobicContact CE2-CE 3.86Å; Y219-M349 HydrophobicContact CE2-SD 4.23Å; Y219-I352 HydrophobicContact CD1-CG2 4.3Å; Y219-I352 HydrophobicContact CG-CG2 4.42Å; Y219-M363 HydrophobicContact CD1-CB 3.75Å; Y219-M363 HydrophobicContact CE1-CB 4.47Å; Y219-S364 PolarHBondContact N-O 2.94Å; Y219-A365 HydrophobicContact CE1-CB 3.86Å; Y219-A365 HydrophobicContact CE2-CB 4.13Å; Y219-A365 WeakPolarHBondContact OH-CB 3.21Å; Y219-L366 PolarHBondContact O-N 2.92Å
220T98.3Very high85Confident0 Ų055.7 Ų55.70%028%0.278CS..EExtended strand (participates in β ladder)trans-125.3127.7176.6-164.50000110.6F234 V341 T342 F343 V344 L366T220-F234 HydrophobicContact CG2-CE2 3.85Å; T220-F234 HydrophobicContact CG2-CZ 4.46Å; T220-V341 HydrophobicContact CG2-CG1 4.26Å; T220-T342 PolarHBondContact N-O 3.32Å; T220-F343 HydrophobicContact CG2-CB 4.47Å; T220-F343 HydrophobicContact CG2-CD1 3.95Å; T220-F343 HydrophobicContact CG2-CD2 4.02Å; T220-F343 HydrophobicContact CG2-CE1 4.05Å; T220-F343 HydrophobicContact CG2-CE2 4.11Å; T220-F343 HydrophobicContact CG2-CG 3.89Å; T220-F343 HydrophobicContact CG2-CZ 4.11Å; T220-V344 WeakPolarHBondContact O-CG1 3.17Å; T220-V344 PolarHBondContact O-N 3.49Å; T220-L366 WeakPolarHBondContact CA-O 3.42Å; T220-L366 WeakPolarHBondContact CB-O 3.21Å; T220-L366 PolarHBondContact OG1-O 3.46Å
221I97.8Very high87.9Confident74 Ų7447 Ų4738%0.37924%0.235SC..EExtended strand (participates in β ladder)trans-87.1119.4-178.9-57.7175.9000108.7Y219 V344 P346 M349Y219-I221 HydrophobicContact CD2-CG1 4.11Å; Y219-I221 HydrophobicContact CE2-CD1 4.07Å; Y219-I221 HydrophobicContact CE2-CG1 3.9Å; I221-V344 WeakPolarHBondContact CA-O 3.33Å; I221-V344 HydrophobicContact CG1-CG1 4.08Å; I221-P346 HydrophobicContact CG2-CG 3.71Å; I221-M349 HydrophobicContact CD1-SD 4.01Å; I221-M349 HydrophobicContact CG1-SD 3.97Å
222V97.1Very high90.5Very high5 Ų544.6 Ų44.63%0.0322%0.219CC..  trans-150.2146.2-174.860.40000111.6E226 K227 T230 F343 V344 N345V222-E226 HydrophobicContact CG2-CB 3.82Å; V222-K227 HydrophobicContact CG1-CG 3.7Å; V222-K227 HydrophobicContact CG2-CG 4.34Å; V222-T230 HydrophobicContact CG2-CG2 4.27Å; V222-T230 WeakPolarHBondContact CG2-OG1 3.25Å; V222-F343 HydrophobicContact CG1-CB 4.25Å; V222-F343 HydrophobicContact CG1-CD1 3.74Å; V222-F343 HydrophobicContact CG1-CG 4.41Å; V222-V344 PolarHBondContact N-O 3.01Å; V222-N345 WeakPolarHBondContact O-CA 3.48Å
223K95.3Very high92.7Very high119 Ų11943.9 Ų43.952%0.51722%0.215SC..  trans-76.8152.9174.4-59.4-173-150.8118.50110.3L225 E226 K227K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 2.9Å; K223-E226 HydrophobicContact CB-CG 4.35Å; K223-E226 IonicContact NZ-OE1 3.42Å; K223-E226 PolarHBondContact NZ-OE1 2.84Å; K223-E226 IonicContact NZ-OE2 3.7Å; K223-E226 PolarHBondContact O-N 2.99Å; K223-K227 PolarHBondContact O-N 2.92Å; K223-K227 VanDerWaalsContact O-N 3.16Å
224E94.1Very high94.8Very high15 Ų1541.9 Ų41.97%0.0720%0.201CC..G310 helixtrans-54.6-44.2-175.9-175.562.6-152.900113.6E226 K227 R252 F435 E436E224-E226 PolarHBondContact O-N 2.84Å; E224-K227 WeakPolarHBondContact O-CB 3.37Å; E224-K227 PolarHBondContact O-N 3.25Å; E224-K227 WeakPolarHBondContact OE2-CD 3.43Å; E224-K227 VanDerWaalsContact OE2-CE 3.23Å; E224-K227 WeakPolarHBondContact OE2-CE 3.05Å; E224-K227 IonicContact OE2-NZ 3.29Å; E224-K227 PolarHBondContact OE2-NZ 3.46Å; E224-R252 IonicContact OE1-CZ 3.46Å; E224-R252 IonicContact OE1-NH1 3.42Å; E224-R252 PolarHBondContact OE1-NH1 3.28Å; E224-R252 IonicContact OE1-NH2 3.3Å; E224-R252 PolarHBondContact OE1-NH2 3.4Å; E224-R252 IonicContact OE2-NH2 2.65Å; E224-F435 HydrophobicContact CB-CD2 4.12Å; E224-F435 HydrophobicContact CB-CE2 3.74Å; E224-F435 HydrophobicContact CG-CD2 3.86Å; E224-F435 HydrophobicContact CG-CE2 3.9Å; E224-E436 VanDerWaalsContact CG-O 3.28Å; E224-E436 WeakPolarHBondContact CG-O 3.31Å
225L93.7Very high95.8Very high90 Ų9036.7 Ų36.747%0.47118%0.177SC..G310 helixtrans-69.1-22.7-178.5-64.5175.2000113.2K223 Q432 F435K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 2.9Å; L225-Q432 PolarHBondContact O-NE2 2.98Å; L225-F435 HydrophobicContact CD2-CB 4.45Å; L225-F435 HydrophobicContact CD2-CD2 3.79Å; L225-F435 HydrophobicContact CG-CD2 4.1Å
226E94.2Very high96.1Very high82 Ų8236.6 Ų36.638%0.38318%0.177SC..G310 helixtrans-96.1-5.5-177.5-62.3162.4-173.500111.6V222 K223 E224 F228 T230V222-E226 HydrophobicContact CG2-CB 3.82Å; K223-E226 HydrophobicContact CB-CG 4.35Å; K223-E226 IonicContact NZ-OE1 3.42Å; K223-E226 PolarHBondContact NZ-OE1 2.84Å; K223-E226 IonicContact NZ-OE2 3.7Å; K223-E226 PolarHBondContact O-N 2.99Å; E224-E226 PolarHBondContact O-N 2.84Å; E226-F228 PolarHBondContact O-N 3.26Å; E226-T230 VanDerWaalsContact O-CB 3.29Å; E226-T230 WeakPolarHBondContact O-CB 3.42Å; E226-T230 PolarHBondContact O-N 3.31Å; E226-T230 PolarHBondContact O-OG1 2.81Å
227K96.2Very high96.2Very high1 Ų133.9 Ų33.90%0.00417%0.168CC..Hα-helixtrans-61.1-43.8-173.4-86.4-175175.2171.10112.8V222 K223 E224 F231 F315 D316 F343V222-K227 HydrophobicContact CG1-CG 3.7Å; V222-K227 HydrophobicContact CG2-CG 4.34Å; K223-K227 PolarHBondContact O-N 2.92Å; K223-K227 VanDerWaalsContact O-N 3.16Å; E224-K227 WeakPolarHBondContact O-CB 3.37Å; E224-K227 PolarHBondContact O-N 3.25Å; E224-K227 WeakPolarHBondContact OE2-CD 3.43Å; E224-K227 VanDerWaalsContact OE2-CE 3.23Å; E224-K227 WeakPolarHBondContact OE2-CE 3.05Å; E224-K227 IonicContact OE2-NZ 3.29Å; E224-K227 PolarHBondContact OE2-NZ 3.46Å; K227-F231 WeakPolarHBondContact O-CB 3.34Å; K227-F231 PolarHBondContact O-N 2.75Å; K227-F315 HydrophobicContact CB-CE1 4.3Å; K227-F315 HydrophobicContact CB-CE2 3.91Å; K227-F315 HydrophobicContact CB-CZ 3.6Å; K227-F315 HydrophobicContact CD-CE1 4.27Å; K227-F315 HydrophobicContact CD-CZ 4.36Å; K227-D316 IonicContact NZ-OD1 3.59Å; K227-F343 HydrophobicContact CG-CD1 4.34Å
228F96.8Very high96.2Very high5 Ų534.7 Ų34.72%0.02217%0.172CC..Hα-helixtrans-65.5-51.7-174.8-178.8-111.8000111.3E226 T230 F231 T232 L256 A259 L260 K263 F315 V431 L433E226-F228 PolarHBondContact O-N 3.26Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 3.01Å; F228-F231 WeakPolarHBondContact O-CA 3.48Å; F228-F231 WeakPolarHBondContact O-CB 3.43Å; F228-F231 PolarHBondContact O-N 3.12Å; F228-T232 HydrophobicContact CD2-CG2 4.5Å; F228-T232 HydrophobicContact CE1-CG2 4.17Å; F228-T232 HydrophobicContact CE2-CG2 3.96Å; F228-T232 HydrophobicContact CZ-CG2 3.77Å; F228-T232 PolarHBondContact O-N 3.13Å; F228-T232 PolarHBondContact O-OG1 3.41Å; F228-L256 HydrophobicContact CD2-CD1 3.55Å; F228-L256 HydrophobicContact CE2-CD1 3.7Å; F228-A259 HydrophobicContact CD2-CB 4.23Å; F228-A259 HydrophobicContact CE1-CB 4.01Å; F228-A259 HydrophobicContact CE2-CB 3.55Å; F228-A259 HydrophobicContact CZ-CB 3.43Å; F228-A259 VanDerWaalsContact CZ-CB 3.43Å; F228-L260 HydrophobicContact CE2-CD2 4.28Å; F228-L260 HydrophobicContact CE2-CG 4.26Å; F228-K263 HydrophobicContact CE1-CG 4.02Å; F228-K263 HydrophobicContact CZ-CG 3.99Å; F228-F315 HydrophobicContact CB-CZ 4.5Å; F228-V431 HydrophobicContact CD1-CB 4.34Å; F228-V431 HydrophobicContact CE1-CB 3.91Å; F228-V431 HydrophobicContact CE1-CG1 4.27Å; F228-L433 HydrophobicContact CB-CD1 3.85Å; F228-L433 HydrophobicContact CB-CG 4.03Å; F228-L433 HydrophobicContact CD2-CD1 4.06Å; F228-L433 HydrophobicContact CD2-CG 4.38Å; F228-L433 HydrophobicContact CG-CD1 4.17Å; F228-L433 HydrophobicContact CG-CG 4.19Å
229D94.8Very high96.1Very high75 Ų7537.2 Ų37.240%0.40118%0.184SC..Hα-helixtrans-61.7-40.8177.7-58.1-30.7000111.8F231 T232 N233D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.23Å; D229-T232 WeakPolarHBondContact CA-OG1 3.34Å; D229-T232 PolarHBondContact O-N 3.43Å; D229-T232 PolarHBondContact O-OG1 3.26Å; D229-N233 WeakPolarHBondContact O-CB 3.37Å; D229-N233 PolarHBondContact O-N 3.48Å; D229-N233 PolarHBondContact O-ND2 3.5Å; D229-N233 PolarHBondContact O-OD1 3.44Å
230T96.7Very high95.9Very high13 Ų1335.8 Ų35.88%0.0818%0.18CC..Hα-helixtrans-61.8-38.8175-58.80000111V222 E226 F228 N233 F234 F343 P368V222-T230 HydrophobicContact CG2-CG2 4.27Å; V222-T230 WeakPolarHBondContact CG2-OG1 3.25Å; E226-T230 VanDerWaalsContact O-CB 3.29Å; E226-T230 WeakPolarHBondContact O-CB 3.42Å; E226-T230 PolarHBondContact O-N 3.31Å; E226-T230 PolarHBondContact O-OG1 2.81Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 3.01Å; T230-N233 PolarHBondContact O-N 2.83Å; T230-F234 HydrophobicContact CG2-CD2 3.93Å; T230-F234 HydrophobicContact CG2-CE2 3.72Å; T230-F234 WeakPolarHBondContact O-CD2 3.49Å; T230-F234 PolarHBondContact O-N 2.87Å; T230-F234 VanDerWaalsContact O-N 3.09Å; T230-F343 HydrophobicContact CG2-CE1 3.87Å; T230-P368 HydrophobicContact CG2-CB 3.94Å; T230-P368 HydrophobicContact CG2-CG 4.06Å
231F97.8Very high95.7Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-67.9-45.7178.6170.6-122.3000112.6K227 F228 D229 N233 F234 L235 V245 L256 L260 Y313 F315 F343K227-F231 WeakPolarHBondContact O-CB 3.34Å; K227-F231 PolarHBondContact O-N 2.75Å; F228-F231 WeakPolarHBondContact O-CA 3.48Å; F228-F231 WeakPolarHBondContact O-CB 3.43Å; F228-F231 PolarHBondContact O-N 3.12Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.23Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.27Å; F231-F234 WeakPolarHBondContact O-CB 3.33Å; F231-F234 PolarHBondContact O-N 2.74Å; F231-F234 VanDerWaalsContact O-N 3.13Å; F231-L235 HydrophobicContact CD1-CD1 4.4Å; F231-L235 HydrophobicContact CD2-CG 4.31Å; F231-L235 HydrophobicContact CE1-CD1 3.79Å; F231-L235 HydrophobicContact CE1-CG 4.38Å; F231-L235 HydrophobicContact CE2-CD1 4.06Å; F231-L235 HydrophobicContact CE2-CD2 3.76Å; F231-L235 HydrophobicContact CE2-CG 3.75Å; F231-L235 HydrophobicContact CZ-CD1 3.55Å; F231-L235 HydrophobicContact CZ-CD2 3.83Å; F231-L235 HydrophobicContact CZ-CG 3.78Å; F231-L235 PolarHBondContact O-N 2.83Å; F231-V245 HydrophobicContact CE1-CG1 4.22Å; F231-V245 HydrophobicContact CE1-CG2 4.27Å; F231-V245 HydrophobicContact CE2-CG1 4.35Å; F231-V245 HydrophobicContact CE2-CG2 4.1Å; F231-V245 HydrophobicContact CZ-CB 4.33Å; F231-V245 HydrophobicContact CZ-CG1 3.9Å; F231-V245 HydrophobicContact CZ-CG2 3.44Å; F231-V245 VanDerWaalsContact CZ-CG2 3.44Å; F231-L256 HydrophobicContact CD1-CD1 4.11Å; F231-L256 HydrophobicContact CE1-CD1 4.19Å; F231-L260 HydrophobicContact CD1-CD2 4.49Å; F231-L260 HydrophobicContact CE1-CD1 4.13Å; F231-L260 HydrophobicContact CE1-CD2 3.86Å; F231-L260 HydrophobicContact CE1-CG 4.38Å; F231-Y313 HydrophobicContact CD2-CD1 4.04Å; F231-Y313 HydrophobicContact CD2-CG 4.16Å; F231-Y313 AromaticContact CE2-CD1 3.83Å; F231-Y313 HydrophobicContact CE2-CD1 3.83Å; F231-Y313 AromaticContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CE1 4.33Å; F231-Y313 HydrophobicContact CE2-CE2 4.28Å; F231-Y313 AromaticContact CE2-CG 3.53Å; F231-Y313 HydrophobicContact CE2-CG 3.53Å; F231-F315 HydrophobicContact CB-CD2 3.98Å; F231-F315 HydrophobicContact CB-CE2 3.77Å; F231-F315 HydrophobicContact CD1-CD2 4.07Å; F231-F315 HydrophobicContact CD1-CE2 4.11Å; F231-F315 AromaticContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CE2 4.11Å; F231-F343 HydrophobicContact CB-CE1 3.72Å; F231-F343 HydrophobicContact CB-CZ 3.72Å; F231-F343 HydrophobicContact CD2-CE2 4.29Å; F231-F343 HydrophobicContact CD2-CZ 4.02Å; F231-F343 HydrophobicContact CG-CZ 4.34Å
232T95.8Very high95.5Very high6 Ų639.5 Ų39.54%0.03720%0.196CC..Hα-helixtrans-63.3-37.3175.352.90000111.6F228 D229 F234 L235 D236 L260 Y265F228-T232 HydrophobicContact CD2-CG2 4.5Å; F228-T232 HydrophobicContact CE1-CG2 4.17Å; F228-T232 HydrophobicContact CE2-CG2 3.96Å; F228-T232 HydrophobicContact CZ-CG2 3.77Å; F228-T232 PolarHBondContact O-N 3.13Å; F228-T232 PolarHBondContact O-OG1 3.41Å; D229-T232 WeakPolarHBondContact CA-OG1 3.34Å; D229-T232 PolarHBondContact O-N 3.43Å; D229-T232 PolarHBondContact O-OG1 3.26Å; T232-F234 VanDerWaalsContact C-N 3.3Å; T232-F234 PolarHBondContact O-N 3Å; T232-L235 WeakPolarHBondContact O-CB 3.43Å; T232-L235 PolarHBondContact O-N 2.95Å; T232-L235 VanDerWaalsContact O-N 3.11Å; T232-D236 VanDerWaalsContact O-CG 3.32Å; T232-D236 PolarHBondContact O-N 3.46Å; T232-L260 HydrophobicContact CG2-CD2 4.36Å; T232-Y265 WeakPolarHBondContact CB-OH 3.39Å; T232-Y265 HydrophobicContact CG2-CE2 3.65Å; T232-Y265 PolarHBondContact O-OH 3.08Å
233N95.9Very high95.5Very high39 Ų3939.3 Ų39.321%0.20920%0.195CC..Hα-helixtrans-60.9-38.8173.3-68.1-12.9000112.3D229 T230 F231 V237 P369 V374D229-N233 WeakPolarHBondContact O-CB 3.37Å; D229-N233 PolarHBondContact O-N 3.48Å; D229-N233 PolarHBondContact O-ND2 3.5Å; D229-N233 PolarHBondContact O-OD1 3.44Å; T230-N233 PolarHBondContact O-N 2.83Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.27Å; N233-V237 WeakPolarHBondContact O-CB 3.27Å; N233-V237 WeakPolarHBondContact O-CG2 3.38Å; N233-V237 PolarHBondContact O-N 3.27Å; N233-V237 VanDerWaalsContact O-N 3.1Å; N233-P369 HydrophobicContact CB-CB 4.36Å; N233-P369 HydrophobicContact CB-CG 4.22Å; N233-V374 HydrophobicContact CB-CG2 3.62Å
234F98Very high95.6Very high3 Ų333.7 Ų33.71%0.01317%0.17CC..Hα-helixtrans-68.1-38.6173-83.9-63.1000112.4T220 T230 F231 T232 D236 V237 H238 Y313 F343 L366 R367 P369T220-F234 HydrophobicContact CG2-CE2 3.85Å; T220-F234 HydrophobicContact CG2-CZ 4.46Å; T230-F234 HydrophobicContact CG2-CD2 3.93Å; T230-F234 HydrophobicContact CG2-CE2 3.72Å; T230-F234 WeakPolarHBondContact O-CD2 3.49Å; T230-F234 PolarHBondContact O-N 2.87Å; T230-F234 VanDerWaalsContact O-N 3.09Å; F231-F234 WeakPolarHBondContact O-CB 3.33Å; F231-F234 PolarHBondContact O-N 2.74Å; F231-F234 VanDerWaalsContact O-N 3.13Å; T232-F234 VanDerWaalsContact C-N 3.3Å; T232-F234 PolarHBondContact O-N 3Å; F234-D236 VanDerWaalsContact C-N 3.32Å; F234-D236 PolarHBondContact O-N 2.94Å; F234-V237 PolarHBondContact O-N 2.98Å; F234-H238 AromaticContact CD1-CE1 3.42Å; F234-H238 VanDerWaalsContact CD1-CE1 3.42Å; F234-H238 WeakPolarHBondContact CD1-CE1 3.32Å; F234-H238 AromaticContact CD1-NE2 3.55Å; F234-H238 WeakPolarHBondContact O-CB 3.4Å; F234-H238 VanDerWaalsContact O-CG 3.26Å; F234-H238 PolarHBondContact O-N 3.27Å; F234-Y313 HydrophobicContact CB-CE1 4.18Å; F234-F343 HydrophobicContact CD2-CE1 4.36Å; F234-F343 HydrophobicContact CD2-CE2 4.43Å; F234-F343 AromaticContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CE2-CZ 4.2Å; F234-L366 HydrophobicContact CD1-CD2 4.2Å; F234-L366 HydrophobicContact CE1-CD2 3.34Å; F234-L366 HydrophobicContact CE1-CG 3.69Å; F234-L366 HydrophobicContact CZ-CD2 3.82Å; F234-L366 HydrophobicContact CZ-CG 3.87Å; F234-R367 WeakPolarHBondContact CZ-O 3.39Å; F234-P369 HydrophobicContact CD1-CG 3.78Å; F234-P369 HydrophobicContact CE1-CG 3.86Å; F234-P369 HydrophobicContact CG-CG 4.18Å; F234-P369 HydrophobicContact CZ-CG 4.35Å
235L96.8Very high95.8Very high5 Ų533 Ų333%0.02617%0.167CC..Hα-helixtrans-60.3-44.3174.6-69.6177.2000111.5F231 T232 Q239 P240 L260 Y265 I293 Y313F231-L235 HydrophobicContact CD1-CD1 4.4Å; F231-L235 HydrophobicContact CD2-CG 4.31Å; F231-L235 HydrophobicContact CE1-CD1 3.79Å; F231-L235 HydrophobicContact CE1-CG 4.38Å; F231-L235 HydrophobicContact CE2-CD1 4.06Å; F231-L235 HydrophobicContact CE2-CD2 3.76Å; F231-L235 HydrophobicContact CE2-CG 3.75Å; F231-L235 HydrophobicContact CZ-CD1 3.55Å; F231-L235 HydrophobicContact CZ-CD2 3.83Å; F231-L235 HydrophobicContact CZ-CG 3.78Å; F231-L235 PolarHBondContact O-N 2.83Å; T232-L235 WeakPolarHBondContact O-CB 3.43Å; T232-L235 PolarHBondContact O-N 2.95Å; T232-L235 VanDerWaalsContact O-N 3.11Å; L235-Q239 WeakPolarHBondContact O-CA 3.46Å; L235-Q239 PolarHBondContact O-N 2.85Å; L235-P240 HydrophobicContact CD2-CG 3.88Å; L235-P240 WeakPolarHBondContact O-CD 3.3Å; L235-L260 HydrophobicContact CD1-CD2 3.75Å; L235-Y265 HydrophobicContact CB-CE1 3.99Å; L235-Y265 HydrophobicContact CD1-CD1 4.12Å; L235-Y265 HydrophobicContact CD1-CE1 3.95Å; L235-Y265 HydrophobicContact CD1-CE2 4.47Å; L235-Y265 HydrophobicContact CD1-CG 4.48Å; L235-I293 HydrophobicContact CD1-CD1 3.75Å; L235-I293 HydrophobicContact CD2-CD1 4.25Å; L235-Y313 HydrophobicContact CD2-CD2 4.35Å; L235-Y313 HydrophobicContact CD2-CE2 3.76Å
236D94Very high96Very high19 Ų1928.8 Ų28.810%0.10215%0.145CC..Hα-helixtrans-65.4-42.1-179.6-67.8-12.1000111.5T232 F234 Q239 Y265 V374 A377 R378T232-D236 VanDerWaalsContact O-CG 3.32Å; T232-D236 PolarHBondContact O-N 3.46Å; F234-D236 VanDerWaalsContact C-N 3.32Å; F234-D236 PolarHBondContact O-N 2.94Å; D236-Q239 WeakPolarHBondContact O-CG 3.41Å; D236-Y265 PolarHBondContact OD1-OH 3.01Å; D236-V374 HydrophobicContact CB-CG1 4.11Å; D236-A377 VanDerWaalsContact O-CB 3.24Å; D236-A377 WeakPolarHBondContact O-CB 3.34Å; D236-R378 HydrophobicContact CB-CG 4.41Å; D236-R378 IonicContact OD2-CZ 2.7Å; D236-R378 VanDerWaalsContact OD2-CZ 3.3Å; D236-R378 IonicContact OD2-NE 2.67Å; D236-R378 PolarHBondContact OD2-NE 3.4Å; D236-R378 IonicContact OD2-NH2 3.26Å; D236-R378 PolarHBondContact OD2-NH2 3.36Å
237V95.9Very high96.1Very high52 Ų5224.9 Ų24.932%0.31513%0.127SC..Hα-helixtrans-77.5-38.8-178.4172.10000112.8N233 F234 P369 E373 V374 A377N233-V237 WeakPolarHBondContact O-CB 3.27Å; N233-V237 WeakPolarHBondContact O-CG2 3.38Å; N233-V237 PolarHBondContact O-N 3.27Å; N233-V237 VanDerWaalsContact O-N 3.1Å; F234-V237 PolarHBondContact O-N 2.98Å; V237-P369 HydrophobicContact CB-CG 4.44Å; V237-P369 HydrophobicContact CG2-CB 3.9Å; V237-P369 HydrophobicContact CG2-CG 4.17Å; V237-E373 HydrophobicContact CG2-CB 4.35Å; V237-V374 HydrophobicContact CG2-CG2 4.13Å; V237-A377 HydrophobicContact CG2-CB 4.18Å
238H96.3Very high95.9Very high47 Ų4727.3 Ų27.322%0.21814%0.136CC..Hα-helixtrans-83.2-21.5-178.5-65.4172.4000113.5F234 Y313F234-H238 AromaticContact CD1-CE1 3.42Å; F234-H238 VanDerWaalsContact CD1-CE1 3.42Å; F234-H238 WeakPolarHBondContact CD1-CE1 3.32Å; F234-H238 AromaticContact CD1-NE2 3.55Å; F234-H238 WeakPolarHBondContact O-CB 3.4Å; F234-H238 VanDerWaalsContact O-CG 3.26Å; F234-H238 PolarHBondContact O-N 3.27Å; H238-Y313 AromaticContact ND1-CZ 3.96Å; H238-Y313 PolarHBondContact ND1-OH 3.12Å
239Q93.8Very high95.8Very high87 Ų8729 Ų2941%0.40715%0.147SC..  trans44.157.8-179.4-59.3-178.7-16.300113.4L235 D236 E241 A377L235-Q239 WeakPolarHBondContact O-CA 3.46Å; L235-Q239 PolarHBondContact O-N 2.85Å; D236-Q239 WeakPolarHBondContact O-CG 3.41Å; Q239-E241 PolarHBondContact O-N 3.42Å; Q239-A377 PolarHBondContact NE2-O 2.8Å
240P95.1Very high95.7Very high15 Ų1530.6 Ų30.610%0.09715%0.15CC..  trans-64.7134.5-174.528.6-36.4000112.3L235 A243 H311L235-P240 HydrophobicContact CD2-CG 3.88Å; L235-P240 WeakPolarHBondContact O-CD 3.3Å; P240-A243 HydrophobicContact CB-CB 4.05Å; P240-A243 HydrophobicContact CG-CB 4.05Å; P240-H311 HydrophobicContact CB-CB 3.86Å; P240-H311 VanDerWaalsContact CB-ND1 3.33Å; P240-H311 WeakPolarHBondContact CB-ND1 3.49Å
241E92.7Very high95.6Very high142 Ų14234.2 Ų34.266%0.66416%0.163SC*.SBendtrans-59.1-54.9171.1-67.9-177.2171.500110.8Q239 N292 S310Q239-E241 PolarHBondContact O-N 3.42Å; E241-N292 WeakPolarHBondContact O-CB 3.31Å; E241-S310 PolarHBondContact N-OG 3.05Å
242L94.3Very high95.5Very high10 Ų1034.5 Ų34.55%0.05216%0.164CC..SBendtrans-137.1132.9173.7-69.7178.7000109.3F286 N292 S310 H311L242-F286 HydrophobicContact CB-CE2 4.45Å; L242-F286 HydrophobicContact CB-CZ 4.07Å; L242-F286 HydrophobicContact CD2-CD2 4.27Å; L242-F286 HydrophobicContact CD2-CE2 3.95Å; L242-F286 HydrophobicContact CD2-CZ 4.22Å; L242-N292 WeakPolarHBondContact CA-O 3.26Å; L242-N292 HydrophobicContact CD2-CB 4.3Å; L242-S310 PolarHBondContact N-OG 2.93Å; L242-S310 PolarHBondContact O-N 2.74Å; L242-S310 PolarHBondContact O-OG 2.95Å; L242-H311 PolarHBondContact O-N 3.17Å; L242-H311 VanDerWaalsContact O-N 3.12Å
243A96.9Very high95.6Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-127.4139.4-179.800000112.3P240 N292 I293 L294 H311 Y313P240-A243 HydrophobicContact CB-CB 4.05Å; P240-A243 HydrophobicContact CG-CB 4.05Å; A243-N292 PolarHBondContact N-O 2.85Å; A243-I293 HydrophobicContact CB-CG1 4.28Å; A243-I293 WeakPolarHBondContact O-CA 3.5Å; A243-L294 PolarHBondContact O-N 2.9Å; A243-H311 VanDerWaalsContact CA-O 3.29Å; A243-H311 WeakPolarHBondContact CA-O 3.26Å; A243-H311 HydrophobicContact CB-CB 4.23Å; A243-Y313 HydrophobicContact CB-CD2 4.15Å; A243-Y313 HydrophobicContact CB-CE2 4.05Å
244I97Very high95.6Very high1 Ų135.7 Ų35.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-110.7129.5166.6-60.3-177.1000109.1F246 F286 L294 V309 H311 V312 Y313 R330I244-F246 HydrophobicContact CB-CE2 4.32Å; I244-F246 HydrophobicContact CG2-CD2 4.05Å; I244-F246 HydrophobicContact CG2-CE1 4.49Å; I244-F246 HydrophobicContact CG2-CE2 3.5Å; I244-F246 HydrophobicContact CG2-CZ 3.76Å; I244-F286 HydrophobicContact CD1-CE1 4.48Å; I244-F286 HydrophobicContact CG1-CE1 4.23Å; I244-F286 HydrophobicContact CG1-CZ 3.98Å; I244-L294 CarbonylContact C-O 3.45Å; I244-L294 WeakPolarHBondContact CA-O 3.2Å; I244-L294 HydrophobicContact CG1-CB 4.35Å; I244-L294 HydrophobicContact CG1-CD2 4.48Å; I244-V309 HydrophobicContact CD1-CG1 4.24Å; I244-V309 HydrophobicContact CD1-CG2 3.86Å; I244-V309 HydrophobicContact CG1-CG1 3.96Å; I244-V309 HydrophobicContact CG1-CG2 4.12Å; I244-H311 PolarHBondContact N-O 3.13Å; I244-V312 CarbonylContact O-C 3.58Å; I244-V312 WeakPolarHBondContact O-CA 3.33Å; I244-Y313 PolarHBondContact O-N 3.14Å; I244-R330 HydrophobicContact CD1-CB 3.98Å; I244-R330 HydrophobicContact CD1-CG 4.24Å
245V98.3Very high95.6Very high0 Ų037.9 Ų37.90%018%0.18CC..EExtended strand (participates in β ladder)trans-116.8121.5-177-169.90000109.6F231 L256 I293 L294 V295 A296 Y313 F315F231-V245 HydrophobicContact CE1-CG1 4.22Å; F231-V245 HydrophobicContact CE1-CG2 4.27Å; F231-V245 HydrophobicContact CE2-CG1 4.35Å; F231-V245 HydrophobicContact CE2-CG2 4.1Å; F231-V245 HydrophobicContact CZ-CB 4.33Å; F231-V245 HydrophobicContact CZ-CG1 3.9Å; F231-V245 HydrophobicContact CZ-CG2 3.44Å; F231-V245 VanDerWaalsContact CZ-CG2 3.44Å; V245-L256 HydrophobicContact CG1-CD2 3.73Å; V245-I293 HydrophobicContact CG2-CG2 3.67Å; V245-L294 PolarHBondContact N-O 3.05Å; V245-V295 HydrophobicContact CB-CG1 4.41Å; V245-V295 HydrophobicContact CB-CG2 4.35Å; V245-V295 CarbonylContact O-C 3.34Å; V245-V295 WeakPolarHBondContact O-CA 3.39Å; V245-A296 PolarHBondContact O-N 3.03Å; V245-Y313 CarbonylContact C-O 3.59Å; V245-Y313 WeakPolarHBondContact CA-O 3.48Å; V245-Y313 HydrophobicContact CG2-CD2 4.39Å; V245-F315 HydrophobicContact CG1-CB 3.84Å
246F98Very high95.6Very high2 Ų237.7 Ų37.71%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-98.2113.8-176.4-73.1-86.6000112.3I244 A296 A301 V312 Y313 F315 D316 R327 R330I244-F246 HydrophobicContact CB-CE2 4.32Å; I244-F246 HydrophobicContact CG2-CD2 4.05Å; I244-F246 HydrophobicContact CG2-CE1 4.49Å; I244-F246 HydrophobicContact CG2-CE2 3.5Å; I244-F246 HydrophobicContact CG2-CZ 3.76Å; F246-A296 WeakPolarHBondContact CA-O 3.48Å; F246-A301 HydrophobicContact CD1-CB 4.25Å; F246-A301 HydrophobicContact CE1-CB 3.24Å; F246-A301 HydrophobicContact CZ-CB 3.77Å; F246-V312 HydrophobicContact CD2-CG1 3.86Å; F246-V312 HydrophobicContact CE2-CG1 3.77Å; F246-Y313 PolarHBondContact N-O 2.92Å; F246-F315 PolarHBondContact O-N 3.29Å; F246-D316 PolarHBondContact O-N 3.22Å; F246-D316 VanDerWaalsContact O-N 3.14Å; F246-R327 HydrophobicContact CD1-CG 3.69Å; F246-R327 HydrophobicContact CD2-CB 3.87Å; F246-R327 HydrophobicContact CD2-CG 3.87Å; F246-R327 HydrophobicContact CE1-CB 4.32Å; F246-R327 HydrophobicContact CE1-CG 3.62Å; F246-R327 HydrophobicContact CE2-CB 3.66Å; F246-R327 HydrophobicContact CE2-CG 3.85Å; F246-R327 HydrophobicContact CG-CB 4.31Å; F246-R327 HydrophobicContact CG-CG 3.78Å; F246-R327 HydrophobicContact CZ-CB 3.9Å; F246-R327 HydrophobicContact CZ-CG 3.72Å; F246-R330 HydrophobicContact CE2-CG 4.37Å; F246-R330 HydrophobicContact CZ-CG 4.03Å
247G96.3Very high95.8Very high1 Ų137.4 Ų37.41%0.0118%0.178CC..  trans-100.4149.5169.300000111.7A296G247-A296 PolarHBondContact N-O 2.97Å
248R92.9Very high95.9Very high51 Ų5138.7 Ų38.719%0.19219%0.189CC..SBendtrans-74.6-39.2-178.6-172.6-177.6-58.5145.84.2113.1D316 E348 K437 L439R248-D316 HydrophobicContact CB-CB 3.84Å; R248-D316 WeakPolarHBondContact CB-OD2 3.2Å; R248-D316 PolarHBondContact N-OD2 3.31Å; R248-E348 IonicContact NH2-OE1 3.29Å; R248-E348 PolarHBondContact NH2-OE1 3.25Å; R248-K437 PolarHBondContact NH1-O 2.86Å; R248-L439 VanDerWaalsContact CZ-CD2 3.48Å
249T93.7Very high95.9Very high41 Ų4136.6 Ų36.625%0.25218%0.18SC..SBendtrans-121.9152.1-172.172.30000110.8R251 R252 V253T249-R251 PolarHBondContact O-N 2.98Å; T249-R252 PolarHBondContact O-N 3.35Å; T249-R252 VanDerWaalsContact O-N 3.09Å; T249-R252 WeakPolarHBondContact OG1-CB 3.28Å; T249-R252 WeakPolarHBondContact OG1-CG 3.39Å; T249-R252 PolarHBondContact OG1-N 3.26Å; T249-R252 VanDerWaalsContact OG1-N 3.17Å; T249-V253 PolarHBondContact O-N 2.89Å
250K94.1Very high96Very high108 Ų10832.5 Ų32.547%0.4716%0.161SC..Hα-helixtrans-53.7-43.9175.259.4178-172.9177.30112.3R252 V253 D254 H271 D273K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 2.87Å; K250-V253 WeakPolarHBondContact O-CB 3.31Å; K250-V253 PolarHBondContact O-N 3.1Å; K250-V253 VanDerWaalsContact O-N 3.11Å; K250-D254 PolarHBondContact O-N 2.97Å; K250-H271 HydrophobicContact CB-CB 3.93Å; K250-D273 WeakPolarHBondContact CD-OD2 3.23Å; K250-D273 WeakPolarHBondContact CE-OD2 3.4Å; K250-D273 IonicContact NZ-OD1 2.74Å; K250-D273 IonicContact NZ-OD2 3.8Å; K250-D273 PolarHBondContact NZ-OD2 3.04Å
251R95Very high96Very high89 Ų8936.2 Ų36.234%0.33618%0.179SC..Hα-helixtrans-59.1-43.4177.5-175.6-175.573.195.7-2.9111.7T249 D254 E255 T434 E436T249-R251 PolarHBondContact O-N 2.98Å; R251-D254 PolarHBondContact O-N 2.79Å; R251-E255 WeakPolarHBondContact CG-OE1 3.44Å; R251-E255 IonicContact CZ-OE1 3.19Å; R251-E255 IonicContact NH1-OE1 2.74Å; R251-E255 PolarHBondContact NH1-OE1 3.17Å; R251-E255 IonicContact NH1-OE2 3.75Å; R251-E255 WeakPolarHBondContact O-CB 3.41Å; R251-E255 WeakPolarHBondContact O-CG 3.49Å; R251-E255 PolarHBondContact O-N 3.46Å; R251-T434 PolarHBondContact NH1-OG1 2.98Å; R251-E436 IonicContact CZ-OE2 2.74Å; R251-E436 IonicContact NH2-OE2 3.66Å; R251-E436 PolarHBondContact NH2-OE2 3.35Å
252R94.6Very high96Very high7 Ų731.9 Ų31.93%0.02617%0.165CC..Hα-helixtrans-66-38.4175.8-76.8177.574.784.5-16.8112.3E224 T249 K250 D254 L256 D316E224-R252 IonicContact OE1-CZ 3.46Å; E224-R252 IonicContact OE1-NH1 3.42Å; E224-R252 PolarHBondContact OE1-NH1 3.28Å; E224-R252 IonicContact OE1-NH2 3.3Å; E224-R252 PolarHBondContact OE1-NH2 3.4Å; E224-R252 IonicContact OE2-NH2 2.65Å; T249-R252 PolarHBondContact O-N 3.35Å; T249-R252 VanDerWaalsContact O-N 3.09Å; T249-R252 WeakPolarHBondContact OG1-CB 3.28Å; T249-R252 WeakPolarHBondContact OG1-CG 3.39Å; T249-R252 PolarHBondContact OG1-N 3.26Å; T249-R252 VanDerWaalsContact OG1-N 3.17Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 2.87Å; R252-D254 VanDerWaalsContact C-N 3.35Å; R252-L256 WeakPolarHBondContact O-CB 3.33Å; R252-L256 PolarHBondContact O-N 3.49Å; R252-D316 WeakPolarHBondContact CD-OD2 3.27Å; R252-D316 IonicContact CZ-OD1 2.73Å; R252-D316 VanDerWaalsContact CZ-OD1 3.26Å; R252-D316 IonicContact CZ-OD2 2.92Å; R252-D316 VanDerWaalsContact NE-CG 3.33Å; R252-D316 IonicContact NE-OD1 2.76Å; R252-D316 PolarHBondContact NE-OD1 3.42Å; R252-D316 IonicContact NE-OD2 2.61Å; R252-D316 PolarHBondContact NE-OD2 3.48Å; R252-D316 IonicContact NH2-OD1 3.82Å; R252-D316 PolarHBondContact NH2-OD1 3.11Å; R252-D316 IonicContact NH2-OD2 2.82Å
253V97.4Very high95.9Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-60.8-46.1174.3169.50000110.6T249 K250 T257 V295 T297T249-V253 PolarHBondContact O-N 2.89Å; K250-V253 WeakPolarHBondContact O-CB 3.31Å; K250-V253 PolarHBondContact O-N 3.1Å; K250-V253 VanDerWaalsContact O-N 3.11Å; V253-T257 VanDerWaalsContact O-CB 3.3Å; V253-T257 WeakPolarHBondContact O-CB 3.29Å; V253-T257 PolarHBondContact O-N 3.01Å; V253-T257 PolarHBondContact O-OG1 2.69Å; V253-V295 HydrophobicContact CB-CG1 4.25Å; V253-V295 HydrophobicContact CG1-CB 4.25Å; V253-V295 HydrophobicContact CG1-CG1 3.97Å; V253-V295 WeakPolarHBondContact CG1-O 3.15Å; V253-V295 HydrophobicContact CG2-CG1 4.21Å; V253-T297 HydrophobicContact CG2-CG2 3.62Å
254D97.4Very high95.6Very high70 Ų7035 Ų3537%0.37419%0.194SC..Hα-helixtrans-63.6-51.6178.5-66.5-32.8000111.9K250 R251 R252 L256 T257 S258 H271K250-D254 PolarHBondContact O-N 2.97Å; R251-D254 PolarHBondContact O-N 2.79Å; R252-D254 VanDerWaalsContact C-N 3.35Å; D254-L256 PolarHBondContact O-N 3.04Å; D254-T257 PolarHBondContact O-N 2.85Å; D254-S258 PolarHBondContact O-N 3.03Å; D254-S258 PolarHBondContact O-OG 2.88Å; D254-H271 IonicContact OD1-CD2 3.79Å; D254-H271 PolarHBondContact OD1-CD2 3Å; D254-H271 IonicContact OD1-CE1 3.01Å; D254-H271 IonicContact OD1-NE2 2.72Å; D254-H271 PolarHBondContact OD1-NE2 3.18Å; D254-H271 IonicContact OD2-CE1 3.4Å; D254-H271 IonicContact OD2-NE2 2.73Å
255E97.1Very high95.5Very high48 Ų4836.6 Ų36.622%0.22420%0.2CC..Hα-helixtrans-60.4-44.9179.8-72.2178.1-157.800111.8R251 T257 S258 A259 L433 T434R251-E255 WeakPolarHBondContact CG-OE1 3.44Å; R251-E255 IonicContact CZ-OE1 3.19Å; R251-E255 IonicContact NH1-OE1 2.74Å; R251-E255 PolarHBondContact NH1-OE1 3.17Å; R251-E255 IonicContact NH1-OE2 3.75Å; R251-E255 WeakPolarHBondContact O-CB 3.41Å; R251-E255 WeakPolarHBondContact O-CG 3.49Å; R251-E255 PolarHBondContact O-N 3.46Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 2.9Å; E255-S258 PolarHBondContact O-N 2.78Å; E255-A259 VanDerWaalsContact O-CB 3.23Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 2.85Å; E255-L433 HydrophobicContact CB-CD2 4.08Å; E255-T434 VanDerWaalsContact CD-OG1 3.27Å; E255-T434 PolarHBondContact OE1-OG1 2.97Å; E255-T434 WeakPolarHBondContact OE2-CB 3.41Å; E255-T434 PolarHBondContact OE2-N 3.34Å; E255-T434 PolarHBondContact OE2-OG1 3.27Å
256L97.8Very high95.4Very high2 Ų242.8 Ų42.81%0.0123%0.227CC..Hα-helixtrans-64.9-39.4178.3-178.858000111.7F228 F231 V245 R252 D254 A259 L260 V295 F315 L433F228-L256 HydrophobicContact CD2-CD1 3.55Å; F228-L256 HydrophobicContact CE2-CD1 3.7Å; F231-L256 HydrophobicContact CD1-CD1 4.11Å; F231-L256 HydrophobicContact CE1-CD1 4.19Å; V245-L256 HydrophobicContact CG1-CD2 3.73Å; R252-L256 WeakPolarHBondContact O-CB 3.33Å; R252-L256 PolarHBondContact O-N 3.49Å; D254-L256 PolarHBondContact O-N 3.04Å; L256-A259 PolarHBondContact O-N 3.03Å; L256-L260 HydrophobicContact CD1-CD1 4.39Å; L256-L260 HydrophobicContact CD1-CG 4.35Å; L256-L260 HydrophobicContact CG-CD1 4.22Å; L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.26Å; L256-V295 HydrophobicContact CB-CG1 4.26Å; L256-V295 HydrophobicContact CD2-CG1 3.76Å; L256-V295 HydrophobicContact CG-CG1 4.13Å; L256-V295 HydrophobicContact CG-CG2 4.44Å; L256-F315 HydrophobicContact CD1-CE2 4.26Å; L256-F315 HydrophobicContact CD1-CZ 4.34Å; L256-F315 HydrophobicContact CD2-CB 4.29Å; L256-F315 HydrophobicContact CD2-CD1 4.1Å; L256-F315 HydrophobicContact CD2-CD2 4.2Å; L256-F315 HydrophobicContact CD2-CE1 4.49Å; L256-F315 HydrophobicContact CD2-CG 3.93Å; L256-L433 HydrophobicContact CD1-CD1 4.25Å
257T98Very high95.4Very high13 Ų1343 Ų438%0.0823%0.229CC..Hα-helixtrans-63.5-48.9176.2-57.70000110.8V253 D254 E255 A259 L260 I261 G269V253-T257 VanDerWaalsContact O-CB 3.3Å; V253-T257 WeakPolarHBondContact O-CB 3.29Å; V253-T257 PolarHBondContact O-N 3.01Å; V253-T257 PolarHBondContact O-OG1 2.69Å; D254-T257 PolarHBondContact O-N 2.85Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 2.9Å; T257-A259 VanDerWaalsContact C-N 3.31Å; T257-A259 PolarHBondContact O-N 3.37Å; T257-L260 PolarHBondContact O-N 3.12Å; T257-I261 HydrophobicContact CG2-CD1 3.91Å; T257-I261 VanDerWaalsContact O-CG1 3.3Å; T257-I261 WeakPolarHBondContact O-CG1 3.44Å; T257-I261 PolarHBondContact O-N 2.85Å; T257-G269 WeakPolarHBondContact OG1-CA 3.48Å
258S96.9Very high95.4Very high79 Ų7944.3 Ų44.355%0.55224%0.235SC*.Hα-helixtrans-60.7-41.9177.3-65.60000112.1D254 E255 I261 S262D254-S258 PolarHBondContact O-N 3.03Å; D254-S258 PolarHBondContact O-OG 2.88Å; E255-S258 PolarHBondContact O-N 2.78Å; S258-I261 PolarHBondContact O-N 2.99Å; S258-S262 PolarHBondContact O-N 2.86Å; S258-S262 PolarHBondContact O-OG 2.71Å
259A96.3Very high95.6Very high3 Ų342.3 Ų42.33%0.02523%0.23CC..Hα-helixtrans-62.5-44.917800000112.4F228 E255 L256 T257 S262 K263 V431 L433F228-A259 HydrophobicContact CD2-CB 4.23Å; F228-A259 HydrophobicContact CE1-CB 4.01Å; F228-A259 HydrophobicContact CE2-CB 3.55Å; F228-A259 HydrophobicContact CZ-CB 3.43Å; F228-A259 VanDerWaalsContact CZ-CB 3.43Å; E255-A259 VanDerWaalsContact O-CB 3.23Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 2.85Å; L256-A259 PolarHBondContact O-N 3.03Å; T257-A259 VanDerWaalsContact C-N 3.31Å; T257-A259 PolarHBondContact O-N 3.37Å; A259-S262 WeakPolarHBondContact CA-OG 3.29Å; A259-S262 PolarHBondContact O-N 2.7Å; A259-S262 PolarHBondContact O-OG 3.44Å; A259-K263 WeakPolarHBondContact O-CG 3.3Å; A259-K263 PolarHBondContact O-N 2.97Å; A259-K263 VanDerWaalsContact O-N 3.08Å; A259-V431 HydrophobicContact CB-CB 4.46Å; A259-V431 HydrophobicContact CB-CG1 3.47Å; A259-V431 VanDerWaalsContact CB-CG1 3.47Å; A259-L433 HydrophobicContact CB-CD2 3.7Å
260L96.9Very high95.6Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-60.7-46.3175.5-77.8169.6000112F228 F231 T232 L235 L256 T257 S262 K263 G264 Y265 A267 I293 V295F228-L260 HydrophobicContact CE2-CD2 4.28Å; F228-L260 HydrophobicContact CE2-CG 4.26Å; F231-L260 HydrophobicContact CD1-CD2 4.49Å; F231-L260 HydrophobicContact CE1-CD1 4.13Å; F231-L260 HydrophobicContact CE1-CD2 3.86Å; F231-L260 HydrophobicContact CE1-CG 4.38Å; T232-L260 HydrophobicContact CG2-CD2 4.36Å; L235-L260 HydrophobicContact CD1-CD2 3.75Å; L256-L260 HydrophobicContact CD1-CD1 4.39Å; L256-L260 HydrophobicContact CD1-CG 4.35Å; L256-L260 HydrophobicContact CG-CD1 4.22Å; L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.26Å; T257-L260 PolarHBondContact O-N 3.12Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.21Å; L260-K263 CarbonylContact O-C 3.53Å; L260-K263 WeakPolarHBondContact O-CA 3.5Å; L260-K263 PolarHBondContact O-N 3.3Å; L260-K263 VanDerWaalsContact O-N 3.09Å; L260-G264 PolarHBondContact O-N 3.24Å; L260-Y265 HydrophobicContact CB-CD2 4.4Å; L260-Y265 HydrophobicContact CD2-CD2 3.56Å; L260-Y265 HydrophobicContact CD2-CE2 4.12Å; L260-Y265 HydrophobicContact CD2-CG 3.94Å; L260-Y265 WeakPolarHBondContact O-CB 3.32Å; L260-Y265 WeakPolarHBondContact O-CD2 3.39Å; L260-Y265 PolarHBondContact O-N 3.38Å; L260-A267 HydrophobicContact CB-CB 3.73Å; L260-A267 HydrophobicContact CD1-CB 3.78Å; L260-A267 HydrophobicContact CG-CB 4.42Å; L260-I293 HydrophobicContact CD1-CG2 3.86Å; L260-V295 HydrophobicContact CD1-CG2 3.71Å
261I95.3Very high95.6Very high94 Ų9435.9 Ų35.948%0.48220%0.199SC..Hα-helixtrans-61.8-41.8178.3-66.8166.5000110.7T257 S258 K263 G264 A267T257-I261 HydrophobicContact CG2-CD1 3.91Å; T257-I261 VanDerWaalsContact O-CG1 3.3Å; T257-I261 WeakPolarHBondContact O-CG1 3.44Å; T257-I261 PolarHBondContact O-N 2.85Å; S258-I261 PolarHBondContact O-N 2.99Å; I261-K263 PolarHBondContact O-N 3.45Å; I261-G264 PolarHBondContact O-N 3.35Å; I261-A267 HydrophobicContact CG1-CB 4.48Å
262S93.1Very high95.1Very high51 Ų5134.6 Ų34.636%0.35721%0.213SC..Hα-helixtrans-65.7-23.917761.90000113.6S258 A259 L260 G264 V431S258-S262 PolarHBondContact O-N 2.86Å; S258-S262 PolarHBondContact O-OG 2.71Å; A259-S262 WeakPolarHBondContact CA-OG 3.29Å; A259-S262 PolarHBondContact O-N 2.7Å; A259-S262 PolarHBondContact O-OG 3.44Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.21Å; S262-G264 VanDerWaalsContact C-N 3.3Å; S262-V431 WeakPolarHBondContact OG-CG2 3.24Å
263K91.1Very high94.8Very high20 Ų2039.1 Ų39.19%0.08724%0.238CC..THydrogen-bonded Turntrans-89.110.2172.4-71.8-72.6-167.6179.80113F228 A259 L260 I261 Y265 N426 V429F228-K263 HydrophobicContact CE1-CG 4.02Å; F228-K263 HydrophobicContact CZ-CG 3.99Å; A259-K263 WeakPolarHBondContact O-CG 3.3Å; A259-K263 PolarHBondContact O-N 2.97Å; A259-K263 VanDerWaalsContact O-N 3.08Å; L260-K263 CarbonylContact O-C 3.53Å; L260-K263 WeakPolarHBondContact O-CA 3.5Å; L260-K263 PolarHBondContact O-N 3.3Å; L260-K263 VanDerWaalsContact O-N 3.09Å; I261-K263 PolarHBondContact O-N 3.45Å; K263-Y265 HydrophobicContact CB-CD2 3.7Å; K263-Y265 HydrophobicContact CB-CE2 3.7Å; K263-Y265 PolarHBondContact O-N 3.32Å; K263-N426 WeakPolarHBondContact CD-O 3.32Å; K263-N426 PolarHBondContact NZ-O 2.88Å; K263-N426 VanDerWaalsContact O-CG 3.23Å; K263-N426 PolarHBondContact O-ND2 2.76Å; K263-N426 PolarHBondContact O-OD1 3Å; K263-N426 VanDerWaalsContact O-OD1 3.08Å; K263-V429 HydrophobicContact CD-CB 4.44Å; K263-V429 WeakPolarHBondContact CE-O 3.32Å; K263-V429 PolarHBondContact NZ-O 3.23Å
264G91Very high94.3Very high56 Ų5641 Ų4158%0.57725%0.248SC*.THydrogen-bonded Turntrans83.32.3176.400000115.8L260 I261 S262L260-G264 PolarHBondContact O-N 3.24Å; I261-G264 PolarHBondContact O-N 3.35Å; S262-G264 VanDerWaalsContact C-N 3.3Å
265Y95Very high93.8Very high34 Ų3442 Ų4213%0.13326%0.257CS..  trans-77.2144.2178-62.6-79000112.2T232 L235 D236 L260 K263 A267 I293T232-Y265 WeakPolarHBondContact CB-OH 3.39Å; T232-Y265 HydrophobicContact CG2-CE2 3.65Å; T232-Y265 PolarHBondContact O-OH 3.08Å; L235-Y265 HydrophobicContact CB-CE1 3.99Å; L235-Y265 HydrophobicContact CD1-CD1 4.12Å; L235-Y265 HydrophobicContact CD1-CE1 3.95Å; L235-Y265 HydrophobicContact CD1-CE2 4.47Å; L235-Y265 HydrophobicContact CD1-CG 4.48Å; D236-Y265 PolarHBondContact OD1-OH 3.01Å; L260-Y265 HydrophobicContact CB-CD2 4.4Å; L260-Y265 HydrophobicContact CD2-CD2 3.56Å; L260-Y265 HydrophobicContact CD2-CE2 4.12Å; L260-Y265 HydrophobicContact CD2-CG 3.94Å; L260-Y265 WeakPolarHBondContact O-CB 3.32Å; L260-Y265 WeakPolarHBondContact O-CD2 3.39Å; L260-Y265 PolarHBondContact O-N 3.38Å; K263-Y265 HydrophobicContact CB-CD2 3.7Å; K263-Y265 HydrophobicContact CB-CE2 3.7Å; K263-Y265 PolarHBondContact O-N 3.32Å; Y265-A267 PolarHBondContact O-N 3.36Å; Y265-I293 HydrophobicContact CD1-CD1 3.91Å; Y265-I293 HydrophobicContact CG-CD1 4.13Å
266K96Very high92.9Very high129 Ų12942.2 Ų42.256%0.56126%0.258SS*.  trans-84.179.3176.6-58.7176.7-175.8170.50110.5I291 N292 I293K266-I291 WeakPolarHBondContact O-CB 3.47Å; K266-N292 PolarHBondContact O-N 3.18Å; K266-N292 PolarHBondContact O-OD1 2.73Å; K266-N292 VanDerWaalsContact O-OD1 3.13Å; K266-I293 PolarHBondContact O-N 3.39Å
267A97.5Very high92.2Very high8 Ų845.8 Ų45.87%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-113.5150.5-176.100000113.7L260 I261 Y265 I293L260-A267 HydrophobicContact CB-CB 3.73Å; L260-A267 HydrophobicContact CD1-CB 3.78Å; L260-A267 HydrophobicContact CG-CB 4.42Å; I261-A267 HydrophobicContact CG1-CB 4.48Å; Y265-A267 PolarHBondContact O-N 3.36Å; A267-I293 VanDerWaalsContact CA-O 3.24Å; A267-I293 WeakPolarHBondContact CA-O 3.47Å; A267-I293 HydrophobicContact CB-CB 4.07Å; A267-I293 HydrophobicContact CB-CG2 4.19Å
268E97.1Very high91.8Very high28 Ų2848.2 Ų48.213%0.13130%0.297CS..EExtended strand (participates in β ladder)trans-144.4148167.8-155.5164.4-173.500110.4K278 V282 K285 I291 I293 V295E268-K278 VanDerWaalsContact OE1-CE 3.24Å; E268-K278 WeakPolarHBondContact OE1-CE 3.42Å; E268-K278 IonicContact OE1-NZ 3.98Å; E268-K278 PolarHBondContact OE1-NZ 3.26Å; E268-V282 HydrophobicContact CB-CG1 3.89Å; E268-V282 HydrophobicContact CG-CB 4.45Å; E268-V282 HydrophobicContact CG-CG1 3.94Å; E268-V282 HydrophobicContact CG-CG2 3.78Å; E268-V282 WeakPolarHBondContact OE1-CG2 3.24Å; E268-K285 IonicContact OE1-NZ 3.43Å; E268-K285 VanDerWaalsContact OE2-CD 3.27Å; E268-K285 WeakPolarHBondContact OE2-CD 3.35Å; E268-K285 IonicContact OE2-NZ 3.58Å; E268-K285 PolarHBondContact OE2-NZ 3.27Å; E268-I291 HydrophobicContact CB-CD1 3.47Å; E268-I291 VanDerWaalsContact CB-CD1 3.47Å; E268-I293 PolarHBondContact N-O 2.71Å; E268-I293 VanDerWaalsContact N-O 3.14Å; E268-V295 PolarHBondContact O-N 2.68Å
269G96.3Very high91.3Very high9 Ų945 Ų459%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-100.9143.9-172.700000114T257 V295T257-G269 WeakPolarHBondContact OG1-CA 3.48Å; G269-V295 CarbonylContact C-O 3.57Å; G269-V295 VanDerWaalsContact CA-O 3.29Å; G269-V295 WeakPolarHBondContact CA-O 3.44Å
270L94Very high90.8Very high0 Ų047.7 Ų47.70%029%0.286CS..EExtended strand (participates in β ladder)trans-130.8117.8174.1-73.2-175.5000112.1I274 R279 V282 L283 L294 V295 A296 T297 A300L270-I274 HydrophobicContact CD2-CG2 4.19Å; L270-R279 HydrophobicContact CD2-CB 4.2Å; L270-R279 HydrophobicContact CD2-CG 4Å; L270-V282 HydrophobicContact CD1-CG1 4.26Å; L270-V282 HydrophobicContact CD2-CB 3.9Å; L270-V282 HydrophobicContact CD2-CG1 3.99Å; L270-V282 HydrophobicContact CD2-CG2 4.04Å; L270-V282 HydrophobicContact CG-CB 4.42Å; L270-V282 HydrophobicContact CG-CG1 3.96Å; L270-L283 HydrophobicContact CD1-CD2 3.65Å; L270-L283 HydrophobicContact CD1-CG 4.14Å; L270-L294 HydrophobicContact CD1-CD1 3.7Å; L270-L294 HydrophobicContact CD1-CD2 4.08Å; L270-L294 HydrophobicContact CD1-CG 4.28Å; L270-L294 HydrophobicContact CG-CD1 3.84Å; L270-V295 PolarHBondContact N-O 3.28Å; L270-A296 HydrophobicContact CB-CB 4.25Å; L270-A296 VanDerWaalsContact O-CA 3.24Å; L270-A296 WeakPolarHBondContact O-CA 3.24Å; L270-T297 PolarHBondContact O-N 2.78Å; L270-T297 VanDerWaalsContact O-N 3.13Å; L270-A300 HydrophobicContact CB-CB 4.12Å; L270-A300 WeakPolarHBondContact O-CB 3.46Å
271H93.6Very high90.5Very high13 Ų1351.7 Ų51.76%0.0631%0.305CS..  trans-146.6176.9173.86091.3000110.6K250 D254 D273 I274 T297K250-H271 HydrophobicContact CB-CB 3.93Å; D254-H271 IonicContact OD1-CD2 3.79Å; D254-H271 PolarHBondContact OD1-CD2 3Å; D254-H271 IonicContact OD1-CE1 3.01Å; D254-H271 IonicContact OD1-NE2 2.72Å; D254-H271 PolarHBondContact OD1-NE2 3.18Å; D254-H271 IonicContact OD2-CE1 3.4Å; D254-H271 IonicContact OD2-NE2 2.73Å; H271-D273 VanDerWaalsContact C-N 3.26Å; H271-D273 PolarHBondContact ND1-N 2.92Å; H271-D273 PolarHBondContact O-N 2.96Å; H271-D273 VanDerWaalsContact O-N 3.16Å; H271-I274 VanDerWaalsContact NE2-CD1 3.35Å; H271-I274 WeakPolarHBondContact NE2-CD1 3.34Å; H271-I274 WeakPolarHBondContact O-CB 3.4Å; H271-I274 WeakPolarHBondContact O-CG1 3.48Å; H271-I274 PolarHBondContact O-N 3.49Å; H271-I274 VanDerWaalsContact O-N 3.08Å; H271-T297 HydrophobicContact CB-CG2 3.97Å
272G84.4Confident90.3Very high62 Ų6247.3 Ų47.364%0.63928%0.282SS*.THydrogen-bonded Turntrans-64.1-19.1-170.800000116.6
273D88.5Confident90.1Very high102 Ų10246.2 Ų46.255%0.54527%0.272SS..THydrogen-bonded Turntrans-88.7-9.3178.3-58.8-8.9000111.8K250 H271 T275K250-D273 WeakPolarHBondContact CD-OD2 3.23Å; K250-D273 WeakPolarHBondContact CE-OD2 3.4Å; K250-D273 IonicContact NZ-OD1 2.74Å; K250-D273 IonicContact NZ-OD2 3.8Å; K250-D273 PolarHBondContact NZ-OD2 3.04Å; H271-D273 VanDerWaalsContact C-N 3.26Å; H271-D273 PolarHBondContact ND1-N 2.92Å; H271-D273 PolarHBondContact O-N 2.96Å; H271-D273 VanDerWaalsContact O-N 3.16Å; D273-T275 PolarHBondContact O-N 3.16Å
274I88.1Confident89.9Confident40 Ų4051.9 Ų51.921%0.20530%0.297CS..SBendtrans-67.5124.7176.7-62.2-61.3000108.9L270 H271 K278 R279L270-I274 HydrophobicContact CD2-CG2 4.19Å; H271-I274 VanDerWaalsContact NE2-CD1 3.35Å; H271-I274 WeakPolarHBondContact NE2-CD1 3.34Å; H271-I274 WeakPolarHBondContact O-CB 3.4Å; H271-I274 WeakPolarHBondContact O-CG1 3.48Å; H271-I274 PolarHBondContact O-N 3.49Å; H271-I274 VanDerWaalsContact O-N 3.08Å; I274-K278 HydrophobicContact CG2-CB 3.9Å; I274-K278 HydrophobicContact CG2-CG 3.9Å; I274-R279 HydrophobicContact CG2-CB 4.08Å
275T86.2Confident89.9Confident91 Ų9151.9 Ų51.956%0.55828%0.281SS*.  trans-58.6147.3177.173.10000110.2D273 A277 K278 R279D273-T275 PolarHBondContact O-N 3.16Å; T275-A277 PolarHBondContact O-N 3.28Å; T275-K278 PolarHBondContact O-N 3.32Å; T275-K278 VanDerWaalsContact O-N 3.08Å; T275-K278 WeakPolarHBondContact OG1-CB 3.21Å; T275-K278 PolarHBondContact OG1-N 3.26Å; T275-R279 PolarHBondContact O-N 3.38Å
276Q78.4Confident89.7Confident53 Ų5350.2 Ų50.225%0.24828%0.275CS..Hα-helixtrans-61.8-31.4-178.5-77.2-60.3-20.500114.2R79 L280R79-Q276 VanDerWaalsContact NH1-OE1 3.16Å; Q276-L280 WeakPolarHBondContact O-CG 3.34Å; Q276-L280 PolarHBondContact O-N 2.95Å
277A83Confident89.3Confident77 Ų7750.7 Ų50.764%0.63628%0.277SS*.Hα-helixtrans-66.4-46.217400000111T275 L280 E281T275-A277 PolarHBondContact O-N 3.28Å; A277-L280 PolarHBondContact O-N 3.1Å; A277-E281 PolarHBondContact O-N 3.36Å; A277-E281 VanDerWaalsContact O-N 3.16Å
278K88.9Confident88.8Confident64 Ų6454.5 Ų54.528%0.27830%0.296SS..Hα-helixtrans-64-43.5177.4-176.654.3168.2167.20111.7E268 I274 T275 L280 E281 V282E268-K278 VanDerWaalsContact OE1-CE 3.24Å; E268-K278 WeakPolarHBondContact OE1-CE 3.42Å; E268-K278 IonicContact OE1-NZ 3.98Å; E268-K278 PolarHBondContact OE1-NZ 3.26Å; I274-K278 HydrophobicContact CG2-CB 3.9Å; I274-K278 HydrophobicContact CG2-CG 3.9Å; T275-K278 PolarHBondContact O-N 3.32Å; T275-K278 VanDerWaalsContact O-N 3.08Å; T275-K278 WeakPolarHBondContact OG1-CB 3.21Å; T275-K278 PolarHBondContact OG1-N 3.26Å; K278-L280 VanDerWaalsContact C-N 3.28Å; K278-L280 PolarHBondContact O-N 3.46Å; K278-E281 VanDerWaalsContact CD-OE2 3.26Å; K278-E281 WeakPolarHBondContact CD-OE2 2.86Å; K278-E281 IonicContact NZ-OE1 3.3Å; K278-E281 PolarHBondContact NZ-OE1 3.07Å; K278-E281 IonicContact NZ-OE2 3.44Å; K278-E281 PolarHBondContact NZ-OE2 3.26Å; K278-E281 WeakPolarHBondContact O-CA 3.27Å; K278-E281 VanDerWaalsContact O-CB 3.3Å; K278-E281 WeakPolarHBondContact O-CB 3.43Å; K278-E281 PolarHBondContact O-N 3.37Å; K278-V282 HydrophobicContact CD-CG2 4.31Å; K278-V282 HydrophobicContact CG-CG2 4.38Å; K278-V282 VanDerWaalsContact O-CG2 3.27Å; K278-V282 WeakPolarHBondContact O-CG2 3.19Å; K278-V282 PolarHBondContact O-N 3.36Å
279R87.6Confident88.3Confident11 Ų1158.4 Ų58.44%0.04232%0.318CS..Hα-helixtrans-53-45.2175.1179.4172.817578.8-7.2112.2E80 L270 I274 T275 V282 L283 A300E80-R279 VanDerWaalsContact CD-NE 3.25Å; E80-R279 VanDerWaalsContact CG-NH2 3.28Å; E80-R279 IonicContact OE1-CZ 3.09Å; E80-R279 IonicContact OE1-NE 3.92Å; E80-R279 PolarHBondContact OE1-NE 2.92Å; E80-R279 IonicContact OE1-NH2 3.73Å; E80-R279 PolarHBondContact OE1-NH2 3.29Å; E80-R279 IonicContact OE2-NH2 3.03Å; E80-R279 PolarHBondContact OE2-NH2 3.24Å; L270-R279 HydrophobicContact CD2-CB 4.2Å; L270-R279 HydrophobicContact CD2-CG 4Å; I274-R279 HydrophobicContact CG2-CB 4.08Å; T275-R279 PolarHBondContact O-N 3.38Å; R279-V282 PolarHBondContact O-N 2.99Å; R279-L283 HydrophobicContact CG-CD1 4.25Å; R279-L283 VanDerWaalsContact O-CG 3.3Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; R279-L283 PolarHBondContact O-N 3.27Å; R279-A300 PolarHBondContact NH1-O 2.94Å; R279-A300 PolarHBondContact NH2-O 3.16Å
280L83.9Confident88.1Confident59 Ų5963.7 Ų63.731%0.30934%0.34SS..Hα-helixtrans-65.6-38.2176.8-69.3-176.3000113.2M83 Q276 A277 K278 K284M83-L280 HydrophobicContact CE-CD1 4.08Å; M83-L280 HydrophobicContact CE-CD2 3.42Å; M83-L280 VanDerWaalsContact CE-CD2 3.42Å; M83-L280 HydrophobicContact CE-CG 4.41Å; M83-L280 HydrophobicContact SD-CD1 4.38Å; M83-L280 HydrophobicContact SD-CD2 3.6Å; Q276-L280 WeakPolarHBondContact O-CG 3.34Å; Q276-L280 PolarHBondContact O-N 2.95Å; A277-L280 PolarHBondContact O-N 3.1Å; K278-L280 VanDerWaalsContact C-N 3.28Å; K278-L280 PolarHBondContact O-N 3.46Å; L280-K284 WeakPolarHBondContact O-CB 3.42Å; L280-K284 PolarHBondContact O-N 3.46Å
281E90.9Very high88.2Confident85 Ų8564.3 Ų64.340%0.39734%0.343SS..Hα-helixtrans-60.9-48174.1-173.3-157.7141.400111A277 K278 L283 K284 K285A277-E281 PolarHBondContact O-N 3.36Å; A277-E281 VanDerWaalsContact O-N 3.16Å; K278-E281 VanDerWaalsContact CD-OE2 3.26Å; K278-E281 WeakPolarHBondContact CD-OE2 2.86Å; K278-E281 IonicContact NZ-OE1 3.3Å; K278-E281 PolarHBondContact NZ-OE1 3.07Å; K278-E281 IonicContact NZ-OE2 3.44Å; K278-E281 PolarHBondContact NZ-OE2 3.26Å; K278-E281 WeakPolarHBondContact O-CA 3.27Å; K278-E281 VanDerWaalsContact O-CB 3.3Å; K278-E281 WeakPolarHBondContact O-CB 3.43Å; K278-E281 PolarHBondContact O-N 3.37Å; E281-L283 PolarHBondContact O-N 3.25Å; E281-K284 PolarHBondContact O-N 2.94Å; E281-K285 WeakPolarHBondContact O-CG 3.35Å; E281-K285 PolarHBondContact O-N 3.24Å; E281-K285 WeakPolarHBondContact OE1-CE 3.49Å; E281-K285 IonicContact OE1-NZ 2.73Å; E281-K285 PolarHBondContact OE1-NZ 2.89Å
282V91.5Very high88.2Confident1 Ų166.2 Ų66.21%0.00635%0.354CS..Hα-helixtrans-59.4-48.6177.9179.90000111E268 L270 K278 R279 K284 K285 F286 I291 L294E268-V282 HydrophobicContact CB-CG1 3.89Å; E268-V282 HydrophobicContact CG-CB 4.45Å; E268-V282 HydrophobicContact CG-CG1 3.94Å; E268-V282 HydrophobicContact CG-CG2 3.78Å; E268-V282 WeakPolarHBondContact OE1-CG2 3.24Å; L270-V282 HydrophobicContact CD1-CG1 4.26Å; L270-V282 HydrophobicContact CD2-CB 3.9Å; L270-V282 HydrophobicContact CD2-CG1 3.99Å; L270-V282 HydrophobicContact CD2-CG2 4.04Å; L270-V282 HydrophobicContact CG-CB 4.42Å; L270-V282 HydrophobicContact CG-CG1 3.96Å; K278-V282 HydrophobicContact CD-CG2 4.31Å; K278-V282 HydrophobicContact CG-CG2 4.38Å; K278-V282 VanDerWaalsContact O-CG2 3.27Å; K278-V282 WeakPolarHBondContact O-CG2 3.19Å; K278-V282 PolarHBondContact O-N 3.36Å; R279-V282 PolarHBondContact O-N 2.99Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 3.37Å; V282-K285 WeakPolarHBondContact O-CB 3.37Å; V282-K285 PolarHBondContact O-N 3.39Å; V282-F286 PolarHBondContact O-N 3.01Å; V282-I291 HydrophobicContact CG1-CD1 3.9Å; V282-L294 HydrophobicContact CG1-CD1 3.61Å
283L88.2Confident88.9Confident28 Ų2863.4 Ų63.415%0.14732%0.324CS..Hα-helixtrans-63.9-35.3179.7-68.1179.1000112.6E80 L270 R279 E281 K287 L294 L304 I306E80-L283 HydrophobicContact CG-CD1 4.27Å; L270-L283 HydrophobicContact CD1-CD2 3.65Å; L270-L283 HydrophobicContact CD1-CG 4.14Å; R279-L283 HydrophobicContact CG-CD1 4.25Å; R279-L283 VanDerWaalsContact O-CG 3.3Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; R279-L283 PolarHBondContact O-N 3.27Å; E281-L283 PolarHBondContact O-N 3.25Å; L283-K287 VanDerWaalsContact O-CB 3.3Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 2.93Å; L283-L294 HydrophobicContact CD2-CD2 4.22Å; L283-L304 HydrophobicContact CD1-CD2 3.74Å; L283-L304 HydrophobicContact CD2-CD1 4.4Å; L283-L304 HydrophobicContact CD2-CD2 3.42Å; L283-L304 VanDerWaalsContact CD2-CD2 3.42Å; L283-L304 HydrophobicContact CG-CD2 4.22Å; L283-I306 HydrophobicContact CD2-CD1 3.93Å
284K86.8Confident89.3Confident140 Ų14058.6 Ų58.661%0.60930%0.298SS*.Hα-helixtrans-66-43.7174.1-174.6-178.2178.3-1750111.5L280 E281 V282 K287 N288L280-K284 WeakPolarHBondContact O-CB 3.42Å; L280-K284 PolarHBondContact O-N 3.46Å; E281-K284 PolarHBondContact O-N 2.94Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 3.37Å; K284-K287 PolarHBondContact O-N 3.37Å; K284-N288 WeakPolarHBondContact O-CB 3.48Å; K284-N288 VanDerWaalsContact O-CG 3.24Å; K284-N288 PolarHBondContact O-N 2.81Å; K284-N288 VanDerWaalsContact O-N 3.12Å
285K92.2Very high89.8Confident55 Ų5556.7 Ų56.724%0.23929%0.288CS..Hα-helixtrans-61.7-44.4176.4-73.5173.8-180172.30111.8E268 E281 V282 N288 D289 Q290 I291E268-K285 IonicContact OE1-NZ 3.43Å; E268-K285 VanDerWaalsContact OE2-CD 3.27Å; E268-K285 WeakPolarHBondContact OE2-CD 3.35Å; E268-K285 IonicContact OE2-NZ 3.58Å; E268-K285 PolarHBondContact OE2-NZ 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.35Å; E281-K285 PolarHBondContact O-N 3.24Å; E281-K285 WeakPolarHBondContact OE1-CE 3.49Å; E281-K285 IonicContact OE1-NZ 2.73Å; E281-K285 PolarHBondContact OE1-NZ 2.89Å; V282-K285 WeakPolarHBondContact O-CB 3.37Å; V282-K285 PolarHBondContact O-N 3.39Å; K285-N288 CarbonylContact O-C 3.57Å; K285-N288 PolarHBondContact O-N 2.92Å; K285-D289 PolarHBondContact O-N 2.83Å; K285-Q290 HydrophobicContact CB-CB 4.05Å; K285-Q290 HydrophobicContact CG-CB 4.36Å; K285-Q290 WeakPolarHBondContact O-CB 3.29Å; K285-Q290 PolarHBondContact O-N 2.83Å; K285-I291 HydrophobicContact CB-CD1 4.21Å; K285-I291 HydrophobicContact CB-CG1 3.94Å
286F91.6Very high90.2Very high0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-66.3-41.1179-170.8-108.2000112.2L242 I244 V282 N288 D289 I291 L294 I306 V309L242-F286 HydrophobicContact CB-CE2 4.45Å; L242-F286 HydrophobicContact CB-CZ 4.07Å; L242-F286 HydrophobicContact CD2-CD2 4.27Å; L242-F286 HydrophobicContact CD2-CE2 3.95Å; L242-F286 HydrophobicContact CD2-CZ 4.22Å; I244-F286 HydrophobicContact CD1-CE1 4.48Å; I244-F286 HydrophobicContact CG1-CE1 4.23Å; I244-F286 HydrophobicContact CG1-CZ 3.98Å; V282-F286 PolarHBondContact O-N 3.01Å; F286-N288 PolarHBondContact O-N 3.29Å; F286-D289 PolarHBondContact O-N 3.32Å; F286-I291 HydrophobicContact CB-CD1 3.93Å; F286-I291 HydrophobicContact CB-CG1 3.81Å; F286-I291 HydrophobicContact CD2-CD1 4.36Å; F286-I291 HydrophobicContact CD2-CG1 4.05Å; F286-I291 HydrophobicContact CG-CG1 4.44Å; F286-L294 HydrophobicContact CD1-CB 4.43Å; F286-L294 HydrophobicContact CD1-CD2 4.2Å; F286-L294 HydrophobicContact CD2-CB 3.77Å; F286-L294 HydrophobicContact CE1-CB 4.27Å; F286-L294 HydrophobicContact CE1-CD2 4.3Å; F286-L294 HydrophobicContact CE2-CB 3.59Å; F286-L294 HydrophobicContact CG-CB 4.19Å; F286-L294 HydrophobicContact CG-CD2 4.46Å; F286-L294 HydrophobicContact CZ-CB 3.85Å; F286-I306 HydrophobicContact CD1-CD1 3.48Å; F286-I306 VanDerWaalsContact CD1-CD1 3.48Å; F286-I306 HydrophobicContact CD1-CG2 3.83Å; F286-I306 HydrophobicContact CE1-CB 4.35Å; F286-I306 HydrophobicContact CE1-CD1 3.74Å; F286-I306 HydrophobicContact CE1-CG2 3.82Å; F286-V309 HydrophobicContact CE1-CG2 4.09Å; F286-V309 HydrophobicContact CZ-CG2 4.36Å
287K86.5Confident91Very high139 Ų13950.5 Ų50.560%0.60425%0.254SS*.Hα-helixtrans-65.5-25.3175.3-174.1176.8178.2-177.80113.3L283 K284L283-K287 VanDerWaalsContact O-CB 3.3Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 2.93Å; K284-K287 PolarHBondContact O-N 3.37Å
288N87.1Confident91.2Very high87 Ų8748.7 Ų48.747%0.46523%0.234SC..THydrogen-bonded Turntrans-102.318.2-178.3-67.5-5.5000112.6K284 K285 F286 Q290K284-N288 WeakPolarHBondContact O-CB 3.48Å; K284-N288 VanDerWaalsContact O-CG 3.24Å; K284-N288 PolarHBondContact O-N 2.81Å; K284-N288 VanDerWaalsContact O-N 3.12Å; K285-N288 CarbonylContact O-C 3.57Å; K285-N288 PolarHBondContact O-N 2.92Å; F286-N288 PolarHBondContact O-N 3.29Å; N288-Q290 HydrophobicContact CB-CG 4.15Å; N288-Q290 PolarHBondContact O-N 3Å
289D86.9Confident90.6Very high110 Ų11050.7 Ų50.759%0.58825%0.251SS*.THydrogen-bonded Turntrans56.320.6178.6-49.1-45.7000114.9K285 F286 I291K285-D289 PolarHBondContact O-N 2.83Å; F286-D289 PolarHBondContact O-N 3.32Å; D289-I291 VanDerWaalsContact C-N 3.34Å
290Q91.8Very high90.1Very high120 Ų12050.3 Ų50.356%0.56125%0.251SS*.SBendtrans-77-28.2176.1-57.1-171.5-72.800111.6K285 N288K285-Q290 HydrophobicContact CB-CB 4.05Å; K285-Q290 HydrophobicContact CG-CB 4.36Å; K285-Q290 WeakPolarHBondContact O-CB 3.29Å; K285-Q290 PolarHBondContact O-N 2.83Å; N288-Q290 HydrophobicContact CB-CG 4.15Å; N288-Q290 PolarHBondContact O-N 3Å
291I95.4Very high89.8Confident14 Ų1447.7 Ų47.77%0.07224%0.238CC..  trans-127.1142.3165.756.2171.6000107K266 E268 V282 K285 F286 D289K266-I291 WeakPolarHBondContact O-CB 3.47Å; E268-I291 HydrophobicContact CB-CD1 3.47Å; E268-I291 VanDerWaalsContact CB-CD1 3.47Å; V282-I291 HydrophobicContact CG1-CD1 3.9Å; K285-I291 HydrophobicContact CB-CD1 4.21Å; K285-I291 HydrophobicContact CB-CG1 3.94Å; F286-I291 HydrophobicContact CB-CD1 3.93Å; F286-I291 HydrophobicContact CB-CG1 3.81Å; F286-I291 HydrophobicContact CD2-CD1 4.36Å; F286-I291 HydrophobicContact CD2-CG1 4.05Å; F286-I291 HydrophobicContact CG-CG1 4.44Å; D289-I291 VanDerWaalsContact C-N 3.34Å
292N95.1Very high89Confident52 Ų5247.4 Ų47.428%0.27823%0.233SC..SBendtrans-112.5-8-178.160-1.4000113.1E241 L242 A243 K266E241-N292 WeakPolarHBondContact O-CB 3.31Å; L242-N292 WeakPolarHBondContact CA-O 3.26Å; L242-N292 HydrophobicContact CD2-CB 4.3Å; A243-N292 PolarHBondContact N-O 2.85Å; K266-N292 PolarHBondContact O-N 3.18Å; K266-N292 PolarHBondContact O-OD1 2.73Å; K266-N292 VanDerWaalsContact O-OD1 3.13Å
293I97.8Very high87.7Confident4 Ų447.7 Ų47.72%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-124.1116.7176.3-63.3159.2000109.9L235 A243 V245 L260 Y265 K266 A267 E268 V295L235-I293 HydrophobicContact CD1-CD1 3.75Å; L235-I293 HydrophobicContact CD2-CD1 4.25Å; A243-I293 HydrophobicContact CB-CG1 4.28Å; A243-I293 WeakPolarHBondContact O-CA 3.5Å; V245-I293 HydrophobicContact CG2-CG2 3.67Å; L260-I293 HydrophobicContact CD1-CG2 3.86Å; Y265-I293 HydrophobicContact CD1-CD1 3.91Å; Y265-I293 HydrophobicContact CG-CD1 4.13Å; K266-I293 PolarHBondContact O-N 3.39Å; A267-I293 VanDerWaalsContact CA-O 3.24Å; A267-I293 WeakPolarHBondContact CA-O 3.47Å; A267-I293 HydrophobicContact CB-CB 4.07Å; A267-I293 HydrophobicContact CB-CG2 4.19Å; E268-I293 PolarHBondContact N-O 2.71Å; E268-I293 VanDerWaalsContact N-O 3.14Å; I293-V295 HydrophobicContact CG2-CG2 4.2Å
294L97.2Very high86.8Confident0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-103.9112174.4-174.866.3000110A243 I244 V245 L270 V282 L283 F286 L304 I306A243-L294 PolarHBondContact O-N 2.9Å; I244-L294 CarbonylContact C-O 3.45Å; I244-L294 WeakPolarHBondContact CA-O 3.2Å; I244-L294 HydrophobicContact CG1-CB 4.35Å; I244-L294 HydrophobicContact CG1-CD2 4.48Å; V245-L294 PolarHBondContact N-O 3.05Å; L270-L294 HydrophobicContact CD1-CD1 3.7Å; L270-L294 HydrophobicContact CD1-CD2 4.08Å; L270-L294 HydrophobicContact CD1-CG 4.28Å; L270-L294 HydrophobicContact CG-CD1 3.84Å; V282-L294 HydrophobicContact CG1-CD1 3.61Å; L283-L294 HydrophobicContact CD2-CD2 4.22Å; F286-L294 HydrophobicContact CD1-CB 4.43Å; F286-L294 HydrophobicContact CD1-CD2 4.2Å; F286-L294 HydrophobicContact CD2-CB 3.77Å; F286-L294 HydrophobicContact CE1-CB 4.27Å; F286-L294 HydrophobicContact CE1-CD2 4.3Å; F286-L294 HydrophobicContact CE2-CB 3.59Å; F286-L294 HydrophobicContact CG-CB 4.19Å; F286-L294 HydrophobicContact CG-CD2 4.46Å; F286-L294 HydrophobicContact CZ-CB 3.85Å; L294-L304 HydrophobicContact CD2-CD1 3.74Å; L294-I306 HydrophobicContact CD2-CD1 4.28Å
295V98.2Very high85.8Confident0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-92.3125176.6-168.90000108.9V245 V253 L256 L260 E268 G269 L270 I293V245-V295 HydrophobicContact CB-CG1 4.41Å; V245-V295 HydrophobicContact CB-CG2 4.35Å; V245-V295 CarbonylContact O-C 3.34Å; V245-V295 WeakPolarHBondContact O-CA 3.39Å; V253-V295 HydrophobicContact CB-CG1 4.25Å; V253-V295 HydrophobicContact CG1-CB 4.25Å; V253-V295 HydrophobicContact CG1-CG1 3.97Å; V253-V295 WeakPolarHBondContact CG1-O 3.15Å; V253-V295 HydrophobicContact CG2-CG1 4.21Å; L256-V295 HydrophobicContact CB-CG1 4.26Å; L256-V295 HydrophobicContact CD2-CG1 3.76Å; L256-V295 HydrophobicContact CG-CG1 4.13Å; L256-V295 HydrophobicContact CG-CG2 4.44Å; L260-V295 HydrophobicContact CD1-CG2 3.71Å; E268-V295 PolarHBondContact O-N 2.68Å; G269-V295 CarbonylContact C-O 3.57Å; G269-V295 VanDerWaalsContact CA-O 3.29Å; G269-V295 WeakPolarHBondContact CA-O 3.44Å; L270-V295 PolarHBondContact N-O 3.28Å; I293-V295 HydrophobicContact CG2-CG2 4.2Å
296A96.2Very high84.8Confident0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-142.4154.9-173.200000114.6V245 F246 G247 L270 A301V245-A296 PolarHBondContact O-N 3.03Å; F246-A296 WeakPolarHBondContact CA-O 3.48Å; G247-A296 PolarHBondContact N-O 2.97Å; L270-A296 HydrophobicContact CB-CB 4.25Å; L270-A296 VanDerWaalsContact O-CA 3.24Å; L270-A296 WeakPolarHBondContact O-CA 3.24Å; A296-A301 HydrophobicContact CB-CB 4.1Å
297T93.9Very high83.9Confident14 Ų1445.2 Ų45.29%0.08624%0.239CC..  trans-86.9160.2160.864.20000110.9V253 L270 H271 V299 A300 A301V253-T297 HydrophobicContact CG2-CG2 3.62Å; L270-T297 PolarHBondContact O-N 2.78Å; L270-T297 VanDerWaalsContact O-N 3.13Å; H271-T297 HydrophobicContact CB-CG2 3.97Å; T297-V299 VanDerWaalsContact C-N 3.3Å; T297-V299 PolarHBondContact O-N 3.13Å; T297-A300 CarbonylContact O-C 3.52Å; T297-A300 PolarHBondContact O-N 2.83Å; T297-A301 WeakPolarHBondContact O-CB 3.24Å; T297-A301 PolarHBondContact O-N 3.08Å
298D87.9Confident83.6Confident39 Ų3939.6 Ų39.621%0.20922%0.22CC..Hα-helixtrans-50.7-49.6176.9-69.2-63.2000112.6A300 A301 R302 R327D298-A300 PolarHBondContact O-N 2.77Å; D298-A301 PolarHBondContact O-N 2.82Å; D298-R302 WeakPolarHBondContact O-CG 3.37Å; D298-R302 PolarHBondContact O-N 3.02Å; D298-R327 IonicContact OD1-CZ 3.75Å; D298-R327 IonicContact OD1-NE 2.7Å; D298-R327 PolarHBondContact OD1-NE 2.87Å; D298-R327 IonicContact OD1-NH2 3.37Å; D298-R327 PolarHBondContact OD1-NH2 2.99Å; D298-R327 IonicContact OD2-CZ 3.27Å; D298-R327 IonicContact OD2-NE 3.45Å; D298-R327 IonicContact OD2-NH2 2.74Å; D298-R327 PolarHBondContact OD2-NH2 3.26Å
299V76.1Confident83.8Confident106 Ų10635.8 Ų35.864%0.64220%0.2SC*.Hα-helixtrans-59-38.6-179.4179.70000111.3T297T297-V299 VanDerWaalsContact C-N 3.3Å; T297-V299 PolarHBondContact O-N 3.13Å
300A76.6Confident84.2Confident4 Ų431.6 Ų31.63%0.03318%0.179CC..Hα-helixtrans-82.5-14.3179.400000113.2L270 R279 T297 D298L270-A300 HydrophobicContact CB-CB 4.12Å; L270-A300 WeakPolarHBondContact O-CB 3.46Å; R279-A300 PolarHBondContact NH1-O 2.94Å; R279-A300 PolarHBondContact NH2-O 3.16Å; T297-A300 CarbonylContact O-C 3.52Å; T297-A300 PolarHBondContact O-N 2.83Å; D298-A300 PolarHBondContact O-N 2.77Å
301A78Confident84.4Confident4 Ų426.6 Ų26.63%0.03316%0.156CC..Hα-helixtrans-98.5-12.6178.300000113.8F246 A296 T297 D298 G303 L304F246-A301 HydrophobicContact CD1-CB 4.25Å; F246-A301 HydrophobicContact CE1-CB 3.24Å; F246-A301 HydrophobicContact CZ-CB 3.77Å; A296-A301 HydrophobicContact CB-CB 4.1Å; T297-A301 WeakPolarHBondContact O-CB 3.24Å; T297-A301 PolarHBondContact O-N 3.08Å; D298-A301 PolarHBondContact O-N 2.82Å; A301-G303 PolarHBondContact O-N 2.85Å; A301-L304 HydrophobicContact CB-CD1 4.11Å; A301-L304 WeakPolarHBondContact O-CB 3.41Å; A301-L304 VanDerWaalsContact O-CG 3.31Å; A301-L304 WeakPolarHBondContact O-CG 3.47Å; A301-L304 PolarHBondContact O-N 3.49Å; A301-L304 VanDerWaalsContact O-N 3.12Å
302R73.4Confident84.5Confident79 Ų7926 Ų2630%0.29815%0.153SC..THydrogen-bonded Turntrans-58.6135.1175.4-76.8-179.6-170.8-168.8-1.1111T78 D298 L304T78-R302 HydrophobicContact CG2-CB 3.95Å; D298-R302 WeakPolarHBondContact O-CG 3.37Å; D298-R302 PolarHBondContact O-N 3.02Å; R302-L304 PolarHBondContact O-N 2.89Å
303G64.9Low84.6Confident7 Ų723.5 Ų23.57%0.07214%0.139CC..THydrogen-bonded Turntrans66.99.7-177.400000115.2E80 A301 D305E80-G303 WeakPolarHBondContact CB-O 3.27Å; A301-G303 PolarHBondContact O-N 2.85Å; G303-D305 PolarHBondContact O-N 3.45Å; G303-D305 VanDerWaalsContact O-N 3.08Å
304L68.8Low84.6Confident4 Ų423.3 Ų23.32%0.02114%0.138CC..  trans-68.3105.1166.2-66.2-174.2000108.9E80 L283 L294 A301 R302 I306 R330E80-L304 HydrophobicContact CG-CD2 4.33Å; L283-L304 HydrophobicContact CD1-CD2 3.74Å; L283-L304 HydrophobicContact CD2-CD1 4.4Å; L283-L304 HydrophobicContact CD2-CD2 3.42Å; L283-L304 VanDerWaalsContact CD2-CD2 3.42Å; L283-L304 HydrophobicContact CG-CD2 4.22Å; L294-L304 HydrophobicContact CD2-CD1 3.74Å; A301-L304 HydrophobicContact CB-CD1 4.11Å; A301-L304 WeakPolarHBondContact O-CB 3.41Å; A301-L304 VanDerWaalsContact O-CG 3.31Å; A301-L304 WeakPolarHBondContact O-CG 3.47Å; A301-L304 PolarHBondContact O-N 3.49Å; A301-L304 VanDerWaalsContact O-N 3.12Å; R302-L304 PolarHBondContact O-N 2.89Å; L304-I306 HydrophobicContact CB-CD1 4.31Å; L304-I306 HydrophobicContact CB-CG1 4.36Å; L304-I306 HydrophobicContact CD1-CD1 4.41Å; L304-I306 HydrophobicContact CD2-CD1 4.43Å; L304-R330 PolarHBondContact O-NH1 2.85Å
305D67Low84.7Confident62 Ų6223.3 Ų23.333%0.33214%0.139SC..  trans-102.398.5162.8-175.630.6000109.3Q84 G303 R333Q84-D305 HydrophobicContact CG-CB 3.89Å; Q84-D305 PolarHBondContact NE2-OD2 2.98Å; G303-D305 PolarHBondContact O-N 3.45Å; G303-D305 VanDerWaalsContact O-N 3.08Å; D305-R333 IonicContact OD1-CZ 2.8Å; D305-R333 IonicContact OD1-NH1 2.69Å; D305-R333 PolarHBondContact OD1-NH1 2.89Å
306I70.4Confident84.7Confident15 Ų1523.3 Ų23.38%0.07714%0.139CC..  trans-124.6112.5178.4-48.6178.3000105.2L283 F286 L294 L304 V309L283-I306 HydrophobicContact CD2-CD1 3.93Å; F286-I306 HydrophobicContact CD1-CD1 3.48Å; F286-I306 VanDerWaalsContact CD1-CD1 3.48Å; F286-I306 HydrophobicContact CD1-CG2 3.83Å; F286-I306 HydrophobicContact CE1-CB 4.35Å; F286-I306 HydrophobicContact CE1-CD1 3.74Å; F286-I306 HydrophobicContact CE1-CG2 3.82Å; L294-I306 HydrophobicContact CD2-CD1 4.28Å; L304-I306 HydrophobicContact CB-CD1 4.31Å; L304-I306 HydrophobicContact CB-CG1 4.36Å; L304-I306 HydrophobicContact CD1-CD1 4.41Å; L304-I306 HydrophobicContact CD2-CD1 4.43Å; I306-V309 HydrophobicContact CB-CG2 4.16Å; I306-V309 HydrophobicContact CG2-CG2 4.34Å
307S72.1Confident84.6Confident90 Ų9023.4 Ų23.463%0.62914%0.139SC*.THydrogen-bonded Turntrans-68.2147.4173.652.30000110.1
308G81.8Confident84.6Confident20 Ų2022.9 Ų22.921%0.20614%0.136CC..THydrogen-bonded Turntrans85.44.9172.800000115.3S310G308-S310 PolarHBondContact O-N 3.31Å
309V91.2Very high84.5Confident8 Ų826 Ų265%0.04815%0.149CC..  trans-62.8108.8167.8179.80000108.1I244 F286 I306 H311 V312 R330 T331I244-V309 HydrophobicContact CD1-CG1 4.24Å; I244-V309 HydrophobicContact CD1-CG2 3.86Å; I244-V309 HydrophobicContact CG1-CG1 3.96Å; I244-V309 HydrophobicContact CG1-CG2 4.12Å; F286-V309 HydrophobicContact CE1-CG2 4.09Å; F286-V309 HydrophobicContact CZ-CG2 4.36Å; I306-V309 HydrophobicContact CB-CG2 4.16Å; I306-V309 HydrophobicContact CG2-CG2 4.34Å; V309-H311 VanDerWaalsContact CG1-O 3.29Å; V309-H311 WeakPolarHBondContact CG1-O 3.3Å; V309-V312 HydrophobicContact CG1-CG2 4.28Å; V309-R330 WeakPolarHBondContact CB-O 3.47Å; V309-T331 WeakPolarHBondContact O-CA 3.4Å; V309-T331 WeakPolarHBondContact O-CB 3.39Å; V309-T331 PolarHBondContact O-OG1 3.01Å
310S93.5Very high84.8Confident21 Ų2123.9 Ų23.915%0.14713%0.134CC..  trans-78.1-37.2178.462.90000111.4E241 L242 G308 T331 G338 I339E241-S310 PolarHBondContact N-OG 3.05Å; L242-S310 PolarHBondContact N-OG 2.93Å; L242-S310 PolarHBondContact O-N 2.74Å; L242-S310 PolarHBondContact O-OG 2.95Å; G308-S310 PolarHBondContact O-N 3.31Å; S310-T331 PolarHBondContact O-OG1 2.95Å; S310-G338 WeakPolarHBondContact O-CA 3.4Å; S310-I339 PolarHBondContact O-N 2.8Å
311H96.8Very high85.1Confident16 Ų1625.3 Ų25.37%0.07414%0.142CC..EExtended strand (participates in β ladder)trans-131.2141.1-170.8-69.873000113P240 L242 A243 I244 V309 Y313 I339P240-H311 HydrophobicContact CB-CB 3.86Å; P240-H311 VanDerWaalsContact CB-ND1 3.33Å; P240-H311 WeakPolarHBondContact CB-ND1 3.49Å; L242-H311 PolarHBondContact O-N 3.17Å; L242-H311 VanDerWaalsContact O-N 3.12Å; A243-H311 VanDerWaalsContact CA-O 3.29Å; A243-H311 WeakPolarHBondContact CA-O 3.26Å; A243-H311 HydrophobicContact CB-CB 4.23Å; I244-H311 PolarHBondContact N-O 3.13Å; V309-H311 VanDerWaalsContact CG1-O 3.29Å; V309-H311 WeakPolarHBondContact CG1-O 3.3Å; H311-Y313 HydrophobicContact CB-CD2 4.26Å; H311-Y313 HydrophobicContact CB-CE2 3.6Å; H311-Y313 PolarHBondContact CD2-OH 3.05Å; H311-I339 CarbonylContact C-O 3.43Å; H311-I339 WeakPolarHBondContact CA-O 3.38Å; H311-I339 WeakPolarHBondContact NE2-CD1 3.45Å
312V96.7Very high85.3Confident0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-120.8126.21681710000109.3I244 F246 V309 R330 T331 I339 A340 V341I244-V312 CarbonylContact O-C 3.58Å; I244-V312 WeakPolarHBondContact O-CA 3.33Å; F246-V312 HydrophobicContact CD2-CG1 3.86Å; F246-V312 HydrophobicContact CE2-CG1 3.77Å; V309-V312 HydrophobicContact CG1-CG2 4.28Å; V312-R330 HydrophobicContact CG2-CB 3.89Å; V312-T331 HydrophobicContact CB-CG2 4.18Å; V312-T331 HydrophobicContact CG2-CG2 3.74Å; V312-I339 PolarHBondContact N-O 2.72Å; V312-A340 CarbonylContact O-C 3.53Å; V312-A340 VanDerWaalsContact O-CA 3.28Å; V312-A340 WeakPolarHBondContact O-CA 3.45Å; V312-V341 PolarHBondContact O-N 3.19Å
313Y98.5Very high85.8Confident0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-112.6112.5176.1-66.6-82.3000110F231 F234 L235 H238 A243 I244 V245 F246 H311 F315 V341 F343F231-Y313 HydrophobicContact CD2-CD1 4.04Å; F231-Y313 HydrophobicContact CD2-CG 4.16Å; F231-Y313 AromaticContact CE2-CD1 3.83Å; F231-Y313 HydrophobicContact CE2-CD1 3.83Å; F231-Y313 AromaticContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CE1 4.33Å; F231-Y313 HydrophobicContact CE2-CE2 4.28Å; F231-Y313 AromaticContact CE2-CG 3.53Å; F231-Y313 HydrophobicContact CE2-CG 3.53Å; F234-Y313 HydrophobicContact CB-CE1 4.18Å; L235-Y313 HydrophobicContact CD2-CD2 4.35Å; L235-Y313 HydrophobicContact CD2-CE2 3.76Å; H238-Y313 AromaticContact ND1-CZ 3.96Å; H238-Y313 PolarHBondContact ND1-OH 3.12Å; A243-Y313 HydrophobicContact CB-CD2 4.15Å; A243-Y313 HydrophobicContact CB-CE2 4.05Å; I244-Y313 PolarHBondContact O-N 3.14Å; V245-Y313 CarbonylContact C-O 3.59Å; V245-Y313 WeakPolarHBondContact CA-O 3.48Å; V245-Y313 HydrophobicContact CG2-CD2 4.39Å; F246-Y313 PolarHBondContact N-O 2.92Å; H311-Y313 HydrophobicContact CB-CD2 4.26Å; H311-Y313 HydrophobicContact CB-CE2 3.6Å; H311-Y313 PolarHBondContact CD2-OH 3.05Å; Y313-F315 VanDerWaalsContact C-N 3.32Å; Y313-F315 PolarHBondContact O-N 3.08Å; Y313-F315 VanDerWaalsContact O-N 3.11Å; Y313-V341 CarbonylContact C-O 3.54Å; Y313-V341 WeakPolarHBondContact CA-O 3.44Å; Y313-V341 HydrophobicContact CD1-CB 3.79Å; Y313-V341 HydrophobicContact CD1-CG2 4.21Å; Y313-V341 HydrophobicContact CE1-CB 3.95Å; Y313-V341 HydrophobicContact CE1-CG2 3.86Å; Y313-F343 HydrophobicContact CD1-CE2 4.1Å
314N98.4Very high87Confident0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-82.582.6166.8-66.3-54.7000108.5D316 R327 V341 T342 F343N314-D316 PolarHBondContact O-N 3.03Å; N314-R327 WeakPolarHBondContact OD1-CD 3.19Å; N314-R327 PolarHBondContact OD1-NH1 2.85Å; N314-V341 PolarHBondContact N-O 2.73Å; N314-T342 HydrophobicContact CB-CG2 3.84Å; N314-T342 PolarHBondContact ND2-OG1 3.15Å; N314-F343 WeakPolarHBondContact O-CB 3.36Å; N314-F343 PolarHBondContact O-N 3.09Å
315F98.3Very high87.8Confident1 Ų129 Ų290%0.00417%0.167CC..SBendtrans-60.6-35.6177.1-169.9-96.4000111.6K227 F228 F231 V245 F246 L256 Y313 F343 L433K227-F315 HydrophobicContact CB-CE1 4.3Å; K227-F315 HydrophobicContact CB-CE2 3.91Å; K227-F315 HydrophobicContact CB-CZ 3.6Å; K227-F315 HydrophobicContact CD-CE1 4.27Å; K227-F315 HydrophobicContact CD-CZ 4.36Å; F228-F315 HydrophobicContact CB-CZ 4.5Å; F231-F315 HydrophobicContact CB-CD2 3.98Å; F231-F315 HydrophobicContact CB-CE2 3.77Å; F231-F315 HydrophobicContact CD1-CD2 4.07Å; F231-F315 HydrophobicContact CD1-CE2 4.11Å; F231-F315 AromaticContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CE2 4.11Å; V245-F315 HydrophobicContact CG1-CB 3.84Å; F246-F315 PolarHBondContact O-N 3.29Å; L256-F315 HydrophobicContact CD1-CE2 4.26Å; L256-F315 HydrophobicContact CD1-CZ 4.34Å; L256-F315 HydrophobicContact CD2-CB 4.29Å; L256-F315 HydrophobicContact CD2-CD1 4.1Å; L256-F315 HydrophobicContact CD2-CD2 4.2Å; L256-F315 HydrophobicContact CD2-CE1 4.49Å; L256-F315 HydrophobicContact CD2-CG 3.93Å; Y313-F315 VanDerWaalsContact C-N 3.32Å; Y313-F315 PolarHBondContact O-N 3.08Å; Y313-F315 VanDerWaalsContact O-N 3.11Å; F315-F343 WeakPolarHBondContact O-CB 3.46Å; F315-L433 HydrophobicContact CE1-CD1 3.99Å; F315-L433 HydrophobicContact CZ-CD1 3.72Å
316D97.2Very high88.6Confident0 Ų029 Ų290%017%0.165CC..SBendtrans-112.4126163.3-66.5-48.5000110.7K227 F246 R248 R252 N314 R327K227-D316 IonicContact NZ-OD1 3.59Å; F246-D316 PolarHBondContact O-N 3.22Å; F246-D316 VanDerWaalsContact O-N 3.14Å; R248-D316 HydrophobicContact CB-CB 3.84Å; R248-D316 WeakPolarHBondContact CB-OD2 3.2Å; R248-D316 PolarHBondContact N-OD2 3.31Å; R252-D316 WeakPolarHBondContact CD-OD2 3.27Å; R252-D316 IonicContact CZ-OD1 2.73Å; R252-D316 VanDerWaalsContact CZ-OD1 3.26Å; R252-D316 IonicContact CZ-OD2 2.92Å; R252-D316 VanDerWaalsContact NE-CG 3.33Å; R252-D316 IonicContact NE-OD1 2.76Å; R252-D316 PolarHBondContact NE-OD1 3.42Å; R252-D316 IonicContact NE-OD2 2.61Å; R252-D316 PolarHBondContact NE-OD2 3.48Å; R252-D316 IonicContact NH2-OD1 3.82Å; R252-D316 PolarHBondContact NH2-OD1 3.11Å; R252-D316 IonicContact NH2-OD2 2.82Å; N314-D316 PolarHBondContact O-N 3.03Å; D316-R327 PolarHBondContact O-NH1 3.09Å
317I96Very high89.6Confident1 Ų128.4 Ų28.41%0.00516%0.162CC..  trans-55.1133.5172.7-168.8166.4000111.3T342 V344 E348 I352 L439I317-T342 HydrophobicContact CB-CG2 4.2Å; I317-T342 HydrophobicContact CD1-CG2 4.34Å; I317-T342 HydrophobicContact CG1-CG2 3.98Å; I317-V344 HydrophobicContact CD1-CB 4.22Å; I317-V344 HydrophobicContact CD1-CG2 3.78Å; I317-E348 HydrophobicContact CG2-CB 4.09Å; I317-E348 HydrophobicContact CG2-CG 4.26Å; I317-I352 HydrophobicContact CD1-CD1 3.58Å; I317-I352 HydrophobicContact CD1-CG1 3.7Å; I317-L439 HydrophobicContact CG2-CD1 3.94Å
318P92.3Very high90.4Very high3 Ų324.7 Ų24.72%0.01914%0.135CC..  trans-65.9155.8173.626.3-33.9000111.8Y324 I355P318-Y324 HydrophobicContact CG-CD2 3.92Å; P318-Y324 HydrophobicContact CG-CG 4.28Å; P318-I355 HydrophobicContact CG-CD1 4.25Å
319Q86Confident90.6Very high106 Ų10624.5 Ų24.550%0.49513%0.132SC..SBendtrans-84.9-12.3-176.4-64.7-177-12.100113.9L439 K442Q319-L439 HydrophobicContact CG-CD1 3.74Å; Q319-L439 HydrophobicContact CG-CD2 3.97Å; Q319-L439 VanDerWaalsContact NE2-CD2 3.29Å; Q319-K442 PolarHBondContact O-NZ 2.91Å
320D83.8Confident90.3Very high61 Ų6125.4 Ų25.433%0.32614%0.135SC..SBendtrans-149.9158.6-175.263.984.2000111.2E322 S323 Y324D320-E322 PolarHBondContact OD1-N 3.4Å; D320-S323 VanDerWaalsContact CG-OG 3.3Å; D320-S323 VanDerWaalsContact OD1-CB 3.31Å; D320-S323 WeakPolarHBondContact OD1-CB 3.24Å; D320-S323 PolarHBondContact OD1-N 3.47Å; D320-S323 PolarHBondContact OD1-OG 2.73Å; D320-S323 PolarHBondContact OD2-OG 2.72Å; D320-Y324 PolarHBondContact O-N 3.29Å
321T82.8Confident90Very high33 Ų3324.5 Ų24.520%0.20213%0.128CC..Hα-helixtrans-68-31.7-175.5-50.20000113.3Y324 T325 I355 A358 N359T321-Y324 WeakPolarHBondContact O-CB 3.45Å; T321-Y324 PolarHBondContact O-N 3.4Å; T321-T325 PolarHBondContact O-N 3.01Å; T321-T325 PolarHBondContact O-OG1 3.49Å; T321-I355 HydrophobicContact CG2-CG2 4.37Å; T321-A358 HydrophobicContact CG2-CB 3.58Å; T321-N359 WeakPolarHBondContact CG2-OD1 3.39Å
322E80.5Confident89.3Confident89 Ų8924.1 Ų24.142%0.41613%0.129SC..Hα-helixtrans-68.3-49.1-178.5-179178.6-177.200110.1N157 D320 Y324 T325 H326N157-E322 PolarHBondContact ND2-OE1 3.42Å; D320-E322 PolarHBondContact OD1-N 3.4Å; E322-Y324 VanDerWaalsContact C-N 3.27Å; E322-Y324 PolarHBondContact O-N 3Å; E322-T325 PolarHBondContact O-N 3.25Å; E322-T325 VanDerWaalsContact O-N 3.14Å; E322-H326 VanDerWaalsContact CG-CE1 3.48Å; E322-H326 WeakPolarHBondContact CG-CE1 3.29Å; E322-H326 PolarHBondContact O-N 2.88Å; E322-H326 IonicContact OE1-CE1 3.67Å
323S85Confident88.2Confident21 Ų2126 Ų2615%0.14714%0.136CC..Hα-helixtrans-54.2-44.7171.9-64.50000111.1D320 T325 H326 R327D320-S323 VanDerWaalsContact CG-OG 3.3Å; D320-S323 VanDerWaalsContact OD1-CB 3.31Å; D320-S323 WeakPolarHBondContact OD1-CB 3.24Å; D320-S323 PolarHBondContact OD1-N 3.47Å; D320-S323 PolarHBondContact OD1-OG 2.73Å; D320-S323 PolarHBondContact OD2-OG 2.72Å; S323-T325 PolarHBondContact O-N 3.04Å; S323-H326 PolarHBondContact O-N 3.06Å; S323-R327 WeakPolarHBondContact O-CG 3.48Å; S323-R327 PolarHBondContact O-N 2.85Å
324Y90.1Very high86.7Confident0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-55.8-53.3174.8178.4-95.4000112.6E217 P318 D320 T321 E322 H326 R327 I328 I355 M363E217-Y324 VanDerWaalsContact OE2-CE1 3.22Å; E217-Y324 WeakPolarHBondContact OE2-CE1 3.31Å; E217-Y324 PolarHBondContact OE2-OH 3.37Å; P318-Y324 HydrophobicContact CG-CD2 3.92Å; P318-Y324 HydrophobicContact CG-CG 4.28Å; D320-Y324 PolarHBondContact O-N 3.29Å; T321-Y324 WeakPolarHBondContact O-CB 3.45Å; T321-Y324 PolarHBondContact O-N 3.4Å; E322-Y324 VanDerWaalsContact C-N 3.27Å; E322-Y324 PolarHBondContact O-N 3Å; Y324-H326 VanDerWaalsContact C-N 3.28Å; Y324-H326 PolarHBondContact O-N 2.87Å; Y324-R327 WeakPolarHBondContact O-CB 3.34Å; Y324-R327 PolarHBondContact O-N 3.23Å; Y324-R327 VanDerWaalsContact O-N 3.1Å; Y324-I328 HydrophobicContact CD1-CD1 4.25Å; Y324-I328 HydrophobicContact CD1-CG1 4.42Å; Y324-I328 HydrophobicContact CD2-CG2 4.35Å; Y324-I328 HydrophobicContact CE1-CD1 3.52Å; Y324-I328 HydrophobicContact CE1-CG1 4.07Å; Y324-I328 HydrophobicContact CE1-CG2 4.05Å; Y324-I328 HydrophobicContact CE2-CG2 3.84Å; Y324-I328 PolarHBondContact O-N 3.01Å; Y324-I355 HydrophobicContact CD1-CG2 3.32Å; Y324-I355 HydrophobicContact CD2-CD1 3.87Å; Y324-I355 HydrophobicContact CD2-CG2 4.18Å; Y324-I355 HydrophobicContact CE1-CG2 3.69Å; Y324-I355 HydrophobicContact CE2-CG2 4.47Å; Y324-I355 HydrophobicContact CG-CD1 3.96Å; Y324-I355 HydrophobicContact CG-CG1 4.34Å; Y324-I355 HydrophobicContact CG-CG2 3.59Å; Y324-M363 HydrophobicContact CD1-CE 4.35Å; Y324-M363 HydrophobicContact CD2-CE 4.23Å; Y324-M363 HydrophobicContact CE1-CE 3.67Å; Y324-M363 HydrophobicContact CE2-CE 3.52Å; Y324-M363 HydrophobicContact CE2-SD 4.22Å; Y324-M363 VanDerWaalsContact OH-CE 3.26Å; Y324-M363 WeakPolarHBondContact OH-CE 3.31Å
325T85.1Confident85.1Confident62 Ų6234.8 Ų34.838%0.3822%0.217SC..Hα-helixtrans-59.6-40.8-178.5-54.40000111.1T321 E322 S323 R327 G329T321-T325 PolarHBondContact O-N 3.01Å; T321-T325 PolarHBondContact O-OG1 3.49Å; E322-T325 PolarHBondContact O-N 3.25Å; E322-T325 VanDerWaalsContact O-N 3.14Å; S323-T325 PolarHBondContact O-N 3.04Å; T325-R327 VanDerWaalsContact C-N 3.34Å; T325-R327 PolarHBondContact O-N 3.41Å; T325-G329 PolarHBondContact O-N 2.99Å
326H83.2Confident84Confident61 Ų6140.6 Ų40.628%0.28224%0.242SC..Hα-helixtrans-67.3-31.8177.4-70.7166.3000114.2E154 E322 S323 Y324 R330E154-H326 IonicContact OE1-CE1 3.8Å; E154-H326 PolarHBondContact OE1-CE1 2.8Å; E154-H326 IonicContact OE1-NE2 2.93Å; E154-H326 IonicContact OE2-CE1 2.62Å; E322-H326 VanDerWaalsContact CG-CE1 3.48Å; E322-H326 WeakPolarHBondContact CG-CE1 3.29Å; E322-H326 PolarHBondContact O-N 2.88Å; E322-H326 IonicContact OE1-CE1 3.67Å; S323-H326 PolarHBondContact O-N 3.06Å; Y324-H326 VanDerWaalsContact C-N 3.28Å; Y324-H326 PolarHBondContact O-N 2.87Å; H326-R330 PolarHBondContact O-NE 3.36Å; H326-R330 PolarHBondContact O-NH2 2.93Å
327R91.3Very high83.5Confident4 Ų447.8 Ų47.82%0.01528%0.276CS..Hα-helixtrans-73.9-52176.6-70.3-177.7-173.6-168.8-1.6111.3F246 D298 N314 D316 S323 Y324 T325 G329 R330F246-R327 HydrophobicContact CD1-CG 3.69Å; F246-R327 HydrophobicContact CD2-CB 3.87Å; F246-R327 HydrophobicContact CD2-CG 3.87Å; F246-R327 HydrophobicContact CE1-CB 4.32Å; F246-R327 HydrophobicContact CE1-CG 3.62Å; F246-R327 HydrophobicContact CE2-CB 3.66Å; F246-R327 HydrophobicContact CE2-CG 3.85Å; F246-R327 HydrophobicContact CG-CB 4.31Å; F246-R327 HydrophobicContact CG-CG 3.78Å; F246-R327 HydrophobicContact CZ-CB 3.9Å; F246-R327 HydrophobicContact CZ-CG 3.72Å; D298-R327 IonicContact OD1-CZ 3.75Å; D298-R327 IonicContact OD1-NE 2.7Å; D298-R327 PolarHBondContact OD1-NE 2.87Å; D298-R327 IonicContact OD1-NH2 3.37Å; D298-R327 PolarHBondContact OD1-NH2 2.99Å; D298-R327 IonicContact OD2-CZ 3.27Å; D298-R327 IonicContact OD2-NE 3.45Å; D298-R327 IonicContact OD2-NH2 2.74Å; D298-R327 PolarHBondContact OD2-NH2 3.26Å; N314-R327 WeakPolarHBondContact OD1-CD 3.19Å; N314-R327 PolarHBondContact OD1-NH1 2.85Å; D316-R327 PolarHBondContact O-NH1 3.09Å; S323-R327 WeakPolarHBondContact O-CG 3.48Å; S323-R327 PolarHBondContact O-N 2.85Å; Y324-R327 WeakPolarHBondContact O-CB 3.34Å; Y324-R327 PolarHBondContact O-N 3.23Å; Y324-R327 VanDerWaalsContact O-N 3.1Å; T325-R327 VanDerWaalsContact C-N 3.34Å; T325-R327 PolarHBondContact O-N 3.41Å; R327-G329 VanDerWaalsContact C-N 3.29Å; R327-G329 PolarHBondContact O-N 2.96Å; R327-R330 WeakPolarHBondContact O-CB 3.48Å; R327-R330 VanDerWaalsContact O-CG 3.23Å; R327-R330 WeakPolarHBondContact O-CG 3.27Å; R327-R330 PolarHBondContact O-N 2.76Å
328I90.2Very high83.3Confident12 Ų1247.9 Ų47.96%0.06228%0.277CS..Hα-helixtrans-68.1-32.3-177.968.4160.6000111.6I215 E217 Y324 R330 T331 A340I215-I328 HydrophobicContact CD1-CB 4.45Å; I215-I328 HydrophobicContact CD1-CD1 4.48Å; I215-I328 HydrophobicContact CD1-CG1 4.47Å; I215-I328 WeakPolarHBondContact CD1-O 3.36Å; E217-I328 HydrophobicContact CG-CD1 4.02Å; Y324-I328 HydrophobicContact CD1-CD1 4.25Å; Y324-I328 HydrophobicContact CD1-CG1 4.42Å; Y324-I328 HydrophobicContact CD2-CG2 4.35Å; Y324-I328 HydrophobicContact CE1-CD1 3.52Å; Y324-I328 HydrophobicContact CE1-CG1 4.07Å; Y324-I328 HydrophobicContact CE1-CG2 4.05Å; Y324-I328 HydrophobicContact CE2-CG2 3.84Å; Y324-I328 PolarHBondContact O-N 3.01Å; I328-R330 PolarHBondContact O-N 3.06Å; I328-T331 VanDerWaalsContact O-CG2 3.25Å; I328-T331 WeakPolarHBondContact O-CG2 3.46Å; I328-T331 PolarHBondContact O-N 3.27Å; I328-A340 HydrophobicContact CB-CB 3.9Å; I328-A340 HydrophobicContact CG2-CB 3.53Å
329G85.1Confident83.5Confident15 Ų1549.8 Ų49.816%0.15529%0.286CS..THydrogen-bonded Turntrans-64.97.4173.600000115.2T325 R327 R333T325-G329 PolarHBondContact O-N 2.99Å; R327-G329 VanDerWaalsContact C-N 3.29Å; R327-G329 PolarHBondContact O-N 2.96Å; G329-R333 PolarHBondContact O-NE 2.77Å; G329-R333 PolarHBondContact O-NH2 3.36Å
330R85.1Confident84Confident27 Ų2744.7 Ų44.710%0.10226%0.263CS..THydrogen-bonded Turntrans-80.4-25165.7-57.4-58.9129.7-177.50.7112.9I244 F246 L304 V309 V312 H326 R327 I328I244-R330 HydrophobicContact CD1-CB 3.98Å; I244-R330 HydrophobicContact CD1-CG 4.24Å; F246-R330 HydrophobicContact CE2-CG 4.37Å; F246-R330 HydrophobicContact CZ-CG 4.03Å; L304-R330 PolarHBondContact O-NH1 2.85Å; V309-R330 WeakPolarHBondContact CB-O 3.47Å; V312-R330 HydrophobicContact CG2-CB 3.89Å; H326-R330 PolarHBondContact O-NE 3.36Å; H326-R330 PolarHBondContact O-NH2 2.93Å; R327-R330 WeakPolarHBondContact O-CB 3.48Å; R327-R330 VanDerWaalsContact O-CG 3.23Å; R327-R330 WeakPolarHBondContact O-CG 3.27Å; R327-R330 PolarHBondContact O-N 2.76Å; I328-R330 PolarHBondContact O-N 3.06Å
331T88.5Confident84.6Confident2 Ų241.8 Ų41.81%0.01225%0.247CC..SBendtrans-101.2178.3172-174.80000110.8I215 V309 S310 V312 I328 R333 G338I215-T331 HydrophobicContact CD1-CG2 4.08Å; I215-T331 HydrophobicContact CG1-CG2 4.06Å; I215-T331 HydrophobicContact CG2-CG2 4.18Å; V309-T331 WeakPolarHBondContact O-CA 3.4Å; V309-T331 WeakPolarHBondContact O-CB 3.39Å; V309-T331 PolarHBondContact O-OG1 3.01Å; S310-T331 PolarHBondContact O-OG1 2.95Å; V312-T331 HydrophobicContact CB-CG2 4.18Å; V312-T331 HydrophobicContact CG2-CG2 3.74Å; I328-T331 VanDerWaalsContact O-CG2 3.25Å; I328-T331 WeakPolarHBondContact O-CG2 3.46Å; I328-T331 PolarHBondContact O-N 3.27Å; T331-R333 VanDerWaalsContact C-N 3.34Å; T331-R333 PolarHBondContact O-N 3.29Å; T331-G338 WeakPolarHBondContact OG1-CA 3.21Å
332G81.9Confident85.4Confident8 Ų840.2 Ų40.28%0.08224%0.237CC..SBendtrans68.528.5174.600000114.4K336G332-K336 CarbonylContact C-O 3.48Å; G332-K336 VanDerWaalsContact CA-O 3.23Å; G332-K336 WeakPolarHBondContact CA-O 3.34Å
333R72.8Confident86.2Confident39 Ų3936 Ų3615%0.14722%0.218CC..  trans-91.5151.1-174.5-65.2-172.7175.4-156.50.4112.2D305 G329 T331 G335 K336D305-R333 IonicContact OD1-CZ 2.8Å; D305-R333 IonicContact OD1-NH1 2.69Å; D305-R333 PolarHBondContact OD1-NH1 2.89Å; G329-R333 PolarHBondContact O-NE 2.77Å; G329-R333 PolarHBondContact O-NH2 3.36Å; T331-R333 VanDerWaalsContact C-N 3.34Å; T331-R333 PolarHBondContact O-N 3.29Å; R333-G335 VanDerWaalsContact C-N 3.26Å; R333-G335 PolarHBondContact O-N 3.11Å; R333-K336 WeakPolarHBondContact O-CB 3.41Å; R333-K336 PolarHBondContact O-N 3.2Å; R333-K336 VanDerWaalsContact O-N 3.11Å
334A66.4Low86.8Confident105 Ų10535 Ų3587%0.86821%0.211SC*.THydrogen-bonded Turntrans53.937.4173.700000114.4K336A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 3.14Å
335G65.6Low87.1Confident81 Ų8135.8 Ų35.884%0.83522%0.215SC*.THydrogen-bonded Turntrans79.61.417900000115.1R333R333-G335 VanDerWaalsContact C-N 3.26Å; R333-G335 PolarHBondContact O-N 3.11Å
336K75.7Confident87.5Confident122 Ų12236.2 Ų36.253%0.5322%0.219SC..  trans-76.3147.7169.3-64.8-168.2171.7-162.80110.5G332 R333 A334G332-K336 CarbonylContact C-O 3.48Å; G332-K336 VanDerWaalsContact CA-O 3.23Å; G332-K336 WeakPolarHBondContact CA-O 3.34Å; R333-K336 WeakPolarHBondContact O-CB 3.41Å; R333-K336 PolarHBondContact O-N 3.2Å; R333-K336 VanDerWaalsContact O-N 3.11Å; A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 3.14Å
337E85.9Confident88Confident152 Ų15238.3 Ų38.371%0.7123%0.231SC*.  trans-71.2156.4167.9-65.1177.6174.500110.6Q214Q214-E337 HydrophobicContact CB-CB 4.46Å; Q214-E337 HydrophobicContact CB-CG 3.94Å; Q214-E337 CarbonylContact O-C 3.55Å; Q214-E337 WeakPolarHBondContact O-CA 3.37Å
338G92Very high88.1Confident2 Ų238.1 Ų38.12%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-144.7153.1179.700000111.6Q214 I215 E216 S310 T331Q214-G338 PolarHBondContact O-N 3.33Å; I215-G338 CarbonylContact C-O 3.54Å; I215-G338 WeakPolarHBondContact CA-O 3.22Å; E216-G338 PolarHBondContact N-O 3.09Å; S310-G338 WeakPolarHBondContact O-CA 3.4Å; T331-G338 WeakPolarHBondContact OG1-CA 3.21Å
339I95.6Very high88.3Confident43 Ų4339.2 Ų39.222%0.22124%0.235CC..EExtended strand (participates in β ladder)trans-120.2130.7175.1-66171.3000108.8E216 F218 S310 H311 V312 V341E216-I339 HydrophobicContact CB-CG1 4.38Å; F218-I339 HydrophobicContact CD2-CG2 3.99Å; F218-I339 HydrophobicContact CE2-CG2 4.09Å; S310-I339 PolarHBondContact O-N 2.8Å; H311-I339 CarbonylContact C-O 3.43Å; H311-I339 WeakPolarHBondContact CA-O 3.38Å; H311-I339 WeakPolarHBondContact NE2-CD1 3.45Å; V312-I339 PolarHBondContact N-O 2.72Å; I339-V341 HydrophobicContact CG2-CG2 3.94Å
340A96.5Very high88.7Confident0 Ų040 Ų400%024%0.236CC..EExtended strand (participates in β ladder)trans-120116.4175.900000110.7I215 E216 F218 V312 I328I215-A340 HydrophobicContact CG2-CB 3.58Å; E216-A340 PolarHBondContact O-N 2.93Å; F218-A340 PolarHBondContact N-O 2.7Å; V312-A340 CarbonylContact O-C 3.53Å; V312-A340 VanDerWaalsContact O-CA 3.28Å; V312-A340 WeakPolarHBondContact O-CA 3.45Å; I328-A340 HydrophobicContact CB-CB 3.9Å; I328-A340 HydrophobicContact CG2-CB 3.53Å
341V98.3Very high89.2Confident0 Ų039.4 Ų39.40%023%0.234CC..EExtended strand (participates in β ladder)trans-113.5125179.5-172.90000110.5F218 T220 V312 Y313 N314 I339 F343 L366F218-V341 HydrophobicContact CB-CG2 4.39Å; T220-V341 HydrophobicContact CG2-CG1 4.26Å; V312-V341 PolarHBondContact O-N 3.19Å; Y313-V341 CarbonylContact C-O 3.54Å; Y313-V341 WeakPolarHBondContact CA-O 3.44Å; Y313-V341 HydrophobicContact CD1-CB 3.79Å; Y313-V341 HydrophobicContact CD1-CG2 4.21Å; Y313-V341 HydrophobicContact CE1-CB 3.95Å; Y313-V341 HydrophobicContact CE1-CG2 3.86Å; N314-V341 PolarHBondContact N-O 2.73Å; I339-V341 HydrophobicContact CG2-CG2 3.94Å; V341-F343 HydrophobicContact CB-CE2 4.49Å; V341-F343 HydrophobicContact CG1-CD2 4.34Å; V341-F343 HydrophobicContact CG1-CE2 3.87Å; V341-L366 HydrophobicContact CG1-CD2 4.48Å; V341-L366 HydrophobicContact CG2-CD2 4.36Å
342T98.4Very high89.5Confident0 Ų039.3 Ų39.30%023%0.233CC..EExtended strand (participates in β ladder)trans-111.2118.5-179.1-57.20000112.7F218 Y219 T220 N314 I317 I352F218-T342 PolarHBondContact O-N 2.76Å; Y219-T342 CarbonylContact C-O 3.43Å; Y219-T342 VanDerWaalsContact CA-O 3.27Å; Y219-T342 WeakPolarHBondContact CA-O 3.4Å; T220-T342 PolarHBondContact N-O 3.32Å; N314-T342 HydrophobicContact CB-CG2 3.84Å; N314-T342 PolarHBondContact ND2-OG1 3.15Å; I317-T342 HydrophobicContact CB-CG2 4.2Å; I317-T342 HydrophobicContact CD1-CG2 4.34Å; I317-T342 HydrophobicContact CG1-CG2 3.98Å; T342-I352 HydrophobicContact CG2-CD1 3.93Å
343F98.5Very high90Very high0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-83.6121.2178.9-72.6-119000108.6T220 V222 K227 T230 F231 F234 Y313 N314 F315 V341T220-F343 HydrophobicContact CG2-CB 4.47Å; T220-F343 HydrophobicContact CG2-CD1 3.95Å; T220-F343 HydrophobicContact CG2-CD2 4.02Å; T220-F343 HydrophobicContact CG2-CE1 4.05Å; T220-F343 HydrophobicContact CG2-CE2 4.11Å; T220-F343 HydrophobicContact CG2-CG 3.89Å; T220-F343 HydrophobicContact CG2-CZ 4.11Å; V222-F343 HydrophobicContact CG1-CB 4.25Å; V222-F343 HydrophobicContact CG1-CD1 3.74Å; V222-F343 HydrophobicContact CG1-CG 4.41Å; K227-F343 HydrophobicContact CG-CD1 4.34Å; T230-F343 HydrophobicContact CG2-CE1 3.87Å; F231-F343 HydrophobicContact CB-CE1 3.72Å; F231-F343 HydrophobicContact CB-CZ 3.72Å; F231-F343 HydrophobicContact CD2-CE2 4.29Å; F231-F343 HydrophobicContact CD2-CZ 4.02Å; F231-F343 HydrophobicContact CG-CZ 4.34Å; F234-F343 HydrophobicContact CD2-CE1 4.36Å; F234-F343 HydrophobicContact CD2-CE2 4.43Å; F234-F343 AromaticContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CE2-CZ 4.2Å; Y313-F343 HydrophobicContact CD1-CE2 4.1Å; N314-F343 WeakPolarHBondContact O-CB 3.36Å; N314-F343 PolarHBondContact O-N 3.09Å; F315-F343 WeakPolarHBondContact O-CB 3.46Å; V341-F343 HydrophobicContact CB-CE2 4.49Å; V341-F343 HydrophobicContact CG1-CD2 4.34Å; V341-F343 HydrophobicContact CG1-CE2 3.87Å
344V97.2Very high90.8Very high0 Ų046.7 Ų46.70%026%0.261CS..EExtended strand (participates in β ladder)trans-130.1128.2-175.263.30000110.4Y219 T220 I221 V222 I317 E348 M349 I352Y219-V344 HydrophobicContact CD2-CG1 3.93Å; T220-V344 WeakPolarHBondContact O-CG1 3.17Å; T220-V344 PolarHBondContact O-N 3.49Å; I221-V344 WeakPolarHBondContact CA-O 3.33Å; I221-V344 HydrophobicContact CG1-CG1 4.08Å; V222-V344 PolarHBondContact N-O 3.01Å; I317-V344 HydrophobicContact CD1-CB 4.22Å; I317-V344 HydrophobicContact CD1-CG2 3.78Å; V344-E348 HydrophobicContact CG2-CB 3.65Å; V344-M349 HydrophobicContact CG1-SD 3.71Å; V344-M349 HydrophobicContact CG2-SD 4Å; V344-I352 HydrophobicContact CB-CD1 4.44Å; V344-I352 HydrophobicContact CB-CG1 4.16Å; V344-I352 HydrophobicContact CG1-CG1 4.2Å; V344-I352 HydrophobicContact CG2-CG1 3.88Å
345N95.5Very high92Very high16 Ų1641.8 Ų41.89%0.08622%0.221CC..  trans-72.8147.7168.1-166.4-78.9000109.7V222 I347 E348 P438V222-N345 WeakPolarHBondContact O-CA 3.48Å; N345-I347 PolarHBondContact O-N 2.87Å; N345-I347 PolarHBondContact OD1-N 3.4Å; N345-E348 HydrophobicContact CB-CB 4.41Å; N345-E348 HydrophobicContact CB-CG 4.02Å; N345-E348 WeakPolarHBondContact CB-OE2 3.41Å; N345-E348 PolarHBondContact N-OE2 3.09Å; N345-E348 WeakPolarHBondContact O-CA 3.37Å; N345-E348 WeakPolarHBondContact O-CB 3.22Å; N345-E348 PolarHBondContact O-N 3.31Å; N345-P438 HydrophobicContact CB-CB 3.93Å; N345-P438 HydrophobicContact CB-CG 4.03Å
346P93.3Very high93.2Very high72 Ų7239.5 Ų39.547%0.46819%0.188SC..G310 helixtrans-48.2-33.8176.9-31.534000115.5I221 E348 M349I221-P346 HydrophobicContact CG2-CG 3.71Å; P346-E348 VanDerWaalsContact C-N 3.3Å; P346-E348 PolarHBondContact O-N 3.43Å; P346-M349 WeakPolarHBondContact O-CG 3.42Å
347I93.6Very high93.9Very high105 Ų10540 Ų4054%0.53820%0.197SC..G310 helixtrans-73.1-24.1178.7-58.6173000112.1N345N345-I347 PolarHBondContact O-N 2.87Å; N345-I347 PolarHBondContact OD1-N 3.4Å
348E95Very high93.6Very high0 Ų035.9 Ų35.90%019%0.189CC..G310 helixtrans-88-0.8-178-62.7174.1140.700112.9R248 I317 V344 N345 P346 D350 Y351 P438 L439R248-E348 IonicContact NH2-OE1 3.29Å; R248-E348 PolarHBondContact NH2-OE1 3.25Å; I317-E348 HydrophobicContact CG2-CB 4.09Å; I317-E348 HydrophobicContact CG2-CG 4.26Å; V344-E348 HydrophobicContact CG2-CB 3.65Å; N345-E348 HydrophobicContact CB-CB 4.41Å; N345-E348 HydrophobicContact CB-CG 4.02Å; N345-E348 WeakPolarHBondContact CB-OE2 3.41Å; N345-E348 PolarHBondContact N-OE2 3.09Å; N345-E348 WeakPolarHBondContact O-CA 3.37Å; N345-E348 WeakPolarHBondContact O-CB 3.22Å; N345-E348 PolarHBondContact O-N 3.31Å; P346-E348 VanDerWaalsContact C-N 3.3Å; P346-E348 PolarHBondContact O-N 3.43Å; E348-D350 PolarHBondContact O-N 3Å; E348-Y351 HydrophobicContact CB-CD2 4.22Å; E348-Y351 WeakPolarHBondContact O-CB 3.34Å; E348-Y351 WeakPolarHBondContact O-CD2 3.43Å; E348-Y351 PolarHBondContact O-N 3.1Å; E348-P438 HydrophobicContact CG-CB 3.94Å; E348-P438 WeakPolarHBondContact OE1-CA 3.46Å; E348-L439 HydrophobicContact CG-CB 4.16Å; E348-L439 PolarHBondContact OE1-N 2.71Å
349M94.4Very high93.1Very high34 Ų3438.1 Ų38.117%0.16720%0.2CC..Hα-helixtrans-57.1-26.1-178.9-77.5-57.3-5500114.7Y219 I221 V344 P346 Y351 I352 R353Y219-M349 HydrophobicContact CD2-CE 4.37Å; Y219-M349 HydrophobicContact CD2-SD 4.4Å; Y219-M349 HydrophobicContact CE2-CE 3.86Å; Y219-M349 HydrophobicContact CE2-SD 4.23Å; I221-M349 HydrophobicContact CD1-SD 4.01Å; I221-M349 HydrophobicContact CG1-SD 3.97Å; V344-M349 HydrophobicContact CG1-SD 3.71Å; V344-M349 HydrophobicContact CG2-SD 4Å; P346-M349 WeakPolarHBondContact O-CG 3.42Å; M349-Y351 PolarHBondContact O-N 2.92Å; M349-I352 HydrophobicContact CE-CB 4.28Å; M349-I352 HydrophobicContact CE-CG2 4.38Å; M349-I352 PolarHBondContact O-N 3.12Å; M349-I352 HydrophobicContact SD-CG1 4.47Å; M349-R353 PolarHBondContact O-N 3.13Å
350D93.3Very high92.5Very high31 Ų3139.4 Ų39.417%0.16622%0.224CC..Hα-helixtrans-66.1-19.9175.5-78.8-8.3000112.6E348 R353 Q354 R441E348-D350 PolarHBondContact O-N 3Å; D350-R353 IonicContact OD1-NH1 2.68Å; D350-R353 PolarHBondContact OD1-NH1 3.11Å; D350-Q354 WeakPolarHBondContact O-CG 3.27Å; D350-Q354 PolarHBondContact O-N 2.94Å; D350-Q354 PolarHBondContact O-NE2 2.66Å; D350-R441 IonicContact OD1-NH2 3.39Å; D350-R441 WeakPolarHBondContact OD2-CG 3.42Å; D350-R441 IonicContact OD2-CZ 2.87Å; D350-R441 IonicContact OD2-NE 3.26Å; D350-R441 PolarHBondContact OD2-NE 2.97Å; D350-R441 IonicContact OD2-NH2 3.63Å; D350-R441 PolarHBondContact OD2-NH2 3Å
351Y94.7Very high91.9Very high15 Ų1544.9 Ų44.96%0.05925%0.245CC..Hα-helixtrans-77.7-40.4173.3-68.8-91000111.7E348 M349 R353 Q354 I355 L439 S440 K442E348-Y351 HydrophobicContact CB-CD2 4.22Å; E348-Y351 WeakPolarHBondContact O-CB 3.34Å; E348-Y351 WeakPolarHBondContact O-CD2 3.43Å; E348-Y351 PolarHBondContact O-N 3.1Å; M349-Y351 PolarHBondContact O-N 2.92Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 2.97Å; Y351-Q354 PolarHBondContact O-N 3.36Å; Y351-I355 VanDerWaalsContact O-CG1 3.32Å; Y351-I355 WeakPolarHBondContact O-CG1 3.41Å; Y351-I355 PolarHBondContact O-N 2.95Å; Y351-L439 HydrophobicContact CD1-CD1 4.37Å; Y351-L439 HydrophobicContact CD2-CB 4.49Å; Y351-L439 HydrophobicContact CD2-CD1 4.38Å; Y351-L439 HydrophobicContact CE1-CD1 4.01Å; Y351-L439 HydrophobicContact CE2-CB 3.63Å; Y351-L439 HydrophobicContact CE2-CD1 4.02Å; Y351-L439 HydrophobicContact CE2-CG 4.49Å; Y351-S440 PolarHBondContact OH-O 3.37Å; Y351-K442 HydrophobicContact CE1-CB 4.32Å; Y351-K442 HydrophobicContact CE1-CD 4.17Å
352I94.8Very high91.5Very high0 Ų053.9 Ų53.90%028%0.284CS..Hα-helixtrans-56.5-50.5173.4-66.3-65.4000109.9Y219 I317 T342 V344 M349 Q354 I355 E356 M363Y219-I352 HydrophobicContact CD1-CG2 4.3Å; Y219-I352 HydrophobicContact CG-CG2 4.42Å; I317-I352 HydrophobicContact CD1-CD1 3.58Å; I317-I352 HydrophobicContact CD1-CG1 3.7Å; T342-I352 HydrophobicContact CG2-CD1 3.93Å; V344-I352 HydrophobicContact CB-CD1 4.44Å; V344-I352 HydrophobicContact CB-CG1 4.16Å; V344-I352 HydrophobicContact CG1-CG1 4.2Å; V344-I352 HydrophobicContact CG2-CG1 3.88Å; M349-I352 HydrophobicContact CE-CB 4.28Å; M349-I352 HydrophobicContact CE-CG2 4.38Å; M349-I352 PolarHBondContact O-N 3.12Å; M349-I352 HydrophobicContact SD-CG1 4.47Å; I352-Q354 VanDerWaalsContact C-N 3.29Å; I352-Q354 PolarHBondContact O-N 3.44Å; I352-I355 WeakPolarHBondContact O-CB 3.3Å; I352-I355 PolarHBondContact O-N 3.03Å; I352-E356 HydrophobicContact CG2-CG 4.21Å; I352-E356 WeakPolarHBondContact O-CG 3.35Å; I352-E356 PolarHBondContact O-N 3.44Å; I352-M363 HydrophobicContact CD1-SD 3.99Å; I352-M363 HydrophobicContact CG2-SD 4.35Å
353R93.6Very high91.2Very high137 Ų13754.4 Ų54.452%0.51729%0.286SS..Hα-helixtrans-57.5-40.7179-68175.2178.4158.9-3.8113.1M349 D350 Y351 I355 E356 D357M349-R353 PolarHBondContact O-N 3.13Å; D350-R353 IonicContact OD1-NH1 2.68Å; D350-R353 PolarHBondContact OD1-NH1 3.11Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 2.97Å; R353-I355 VanDerWaalsContact C-N 3.33Å; R353-E356 PolarHBondContact O-N 3.42Å; R353-D357 VanDerWaalsContact O-CB 3.27Å; R353-D357 WeakPolarHBondContact O-CB 3.4Å; R353-D357 PolarHBondContact O-N 3.02Å
354Q89.7Confident91.1Very high65 Ų6557.7 Ų57.730%0.30431%0.309SS..Hα-helixtrans-64.5-39.1176.6-81.4167.663.200112.4D350 Y351 I352 A358D350-Q354 WeakPolarHBondContact O-CG 3.27Å; D350-Q354 PolarHBondContact O-N 2.94Å; D350-Q354 PolarHBondContact O-NE2 2.66Å; Y351-Q354 PolarHBondContact O-N 3.36Å; I352-Q354 VanDerWaalsContact C-N 3.29Å; I352-Q354 PolarHBondContact O-N 3.44Å; Q354-A358 WeakPolarHBondContact O-CB 3.45Å; Q354-A358 PolarHBondContact O-N 3.39Å
355I90.6Very high91.1Very high3 Ų361.1 Ų61.12%0.01534%0.337CS..Hα-helixtrans-66.1-47.7177.2-64.6161.4000109.3P318 T321 Y324 Y351 I352 R353 A358 N359 M363P318-I355 HydrophobicContact CG-CD1 4.25Å; T321-I355 HydrophobicContact CG2-CG2 4.37Å; Y324-I355 HydrophobicContact CD1-CG2 3.32Å; Y324-I355 HydrophobicContact CD2-CD1 3.87Å; Y324-I355 HydrophobicContact CD2-CG2 4.18Å; Y324-I355 HydrophobicContact CE1-CG2 3.69Å; Y324-I355 HydrophobicContact CE2-CG2 4.47Å; Y324-I355 HydrophobicContact CG-CD1 3.96Å; Y324-I355 HydrophobicContact CG-CG1 4.34Å; Y324-I355 HydrophobicContact CG-CG2 3.59Å; Y351-I355 VanDerWaalsContact O-CG1 3.32Å; Y351-I355 WeakPolarHBondContact O-CG1 3.41Å; Y351-I355 PolarHBondContact O-N 2.95Å; I352-I355 WeakPolarHBondContact O-CB 3.3Å; I352-I355 PolarHBondContact O-N 3.03Å; R353-I355 VanDerWaalsContact C-N 3.33Å; I355-A358 PolarHBondContact O-N 3.31Å; I355-N359 VanDerWaalsContact O-CB 3.32Å; I355-N359 WeakPolarHBondContact O-CB 3.3Å; I355-N359 PolarHBondContact O-N 3.21Å; I355-M363 HydrophobicContact CB-CE 3.85Å; I355-M363 HydrophobicContact CD1-CE 4.45Å; I355-M363 HydrophobicContact CG2-CE 3.26Å
356E91.8Very high91.2Very high33 Ų3362.4 Ų62.415%0.15434%0.344CS..Hα-helixtrans-59.5-47.9177.5-67-179.4129.900112.3I352 R353 A358 N359 G360 R361 K362 M363I352-E356 HydrophobicContact CG2-CG 4.21Å; I352-E356 WeakPolarHBondContact O-CG 3.35Å; I352-E356 PolarHBondContact O-N 3.44Å; R353-E356 PolarHBondContact O-N 3.42Å; E356-A358 VanDerWaalsContact C-N 3.33Å; E356-A358 PolarHBondContact O-N 3.02Å; E356-N359 PolarHBondContact O-N 3.4Å; E356-G360 WeakPolarHBondContact O-CA 3.43Å; E356-G360 PolarHBondContact O-N 2.92Å; E356-R361 WeakPolarHBondContact CA-O 3.44Å; E356-R361 VanDerWaalsContact CB-O 3.3Å; E356-R361 WeakPolarHBondContact CB-O 3.38Å; E356-R361 PolarHBondContact O-N 3.2Å; E356-K362 WeakPolarHBondContact OE1-CA 3.4Å; E356-M363 HydrophobicContact CG-CG 4.25Å; E356-M363 PolarHBondContact OE1-N 3.04Å
357D88.6Confident91.3Very high132 Ų13264.8 Ų64.871%0.70634%0.344SS*.Hα-helixtrans-61.4-41.2179.1-73.8-20000111.6R353R353-D357 VanDerWaalsContact O-CB 3.27Å; R353-D357 WeakPolarHBondContact O-CB 3.4Å; R353-D357 PolarHBondContact O-N 3.02Å
358A80.1Confident91.4Very high66 Ų6662.2 Ų62.255%0.54533%0.334SS..Hα-helixtrans-75.5-33.7-178.800000112.9T321 Q354 I355 E356T321-A358 HydrophobicContact CG2-CB 3.58Å; Q354-A358 WeakPolarHBondContact O-CB 3.45Å; Q354-A358 PolarHBondContact O-N 3.39Å; I355-A358 PolarHBondContact O-N 3.31Å; E356-A358 VanDerWaalsContact C-N 3.33Å; E356-A358 PolarHBondContact O-N 3.02Å
359N82.3Confident91.4Very high49 Ų4962.9 Ų62.926%0.26234%0.338SS..Hα-helixtrans-85.1-13.2177.3-72-3.5000112.9T321 I355 E356 R361T321-N359 WeakPolarHBondContact CG2-OD1 3.39Å; I355-N359 VanDerWaalsContact O-CB 3.32Å; I355-N359 WeakPolarHBondContact O-CB 3.3Å; I355-N359 PolarHBondContact O-N 3.21Å; E356-N359 PolarHBondContact O-N 3.4Å; N359-R361 PolarHBondContact O-N 2.9Å
360G82.6Confident91.4Very high69 Ų6966.6 Ų66.671%0.71136%0.355SS*.THydrogen-bonded Turntrans67.418.3-176.900000113.7E356E356-G360 WeakPolarHBondContact O-CA 3.43Å; E356-G360 PolarHBondContact O-N 2.92Å
361R84.5Confident91.3Very high116 Ų11673.6 Ų73.644%0.43838%0.379SS..  trans-137.4147.3-175.5-69.2-173-100.3179.1-20.7110.2D212 E356 N359D212-R361 IonicContact OD1-CZ 3.77Å; D212-R361 VanDerWaalsContact OD1-CZ 3.31Å; D212-R361 IonicContact OD1-NH1 3.54Å; D212-R361 PolarHBondContact OD1-NH1 2.92Å; D212-R361 IonicContact OD1-NH2 3.38Å; D212-R361 PolarHBondContact OD1-NH2 2.59Å; D212-R361 IonicContact OD2-CZ 3.98Å; D212-R361 IonicContact OD2-NH1 3.31Å; D212-R361 PolarHBondContact OD2-NH1 2.82Å; D212-R361 IonicContact OD2-NH2 2.95Å; E356-R361 WeakPolarHBondContact CA-O 3.44Å; E356-R361 VanDerWaalsContact CB-O 3.3Å; E356-R361 WeakPolarHBondContact CB-O 3.38Å; E356-R361 PolarHBondContact O-N 3.2Å; N359-R361 PolarHBondContact O-N 2.9Å
362K89.2Confident91.3Very high188 Ų18881.4 Ų81.482%0.81741%0.413SS*.PPolyproline II helixtrans-97.9140.1179.8-68.5-171.8177.2-178.50110.8E356E356-K362 WeakPolarHBondContact OE1-CA 3.4Å
363M93Very high91.3Very high12 Ų1284.9 Ų84.96%0.05943%0.429CS..PPolyproline II helixtrans-83.5145.9170.5-61-178.7-161.300109.7E217 Y219 Y324 I352 I355 E356E217-M363 HydrophobicContact CB-CG 4.13Å; Y219-M363 HydrophobicContact CD1-CB 3.75Å; Y219-M363 HydrophobicContact CE1-CB 4.47Å; Y324-M363 HydrophobicContact CD1-CE 4.35Å; Y324-M363 HydrophobicContact CD2-CE 4.23Å; Y324-M363 HydrophobicContact CE1-CE 3.67Å; Y324-M363 HydrophobicContact CE2-CE 3.52Å; Y324-M363 HydrophobicContact CE2-SD 4.22Å; Y324-M363 VanDerWaalsContact OH-CE 3.26Å; Y324-M363 WeakPolarHBondContact OH-CE 3.31Å; I352-M363 HydrophobicContact CD1-SD 3.99Å; I352-M363 HydrophobicContact CG2-SD 4.35Å; I355-M363 HydrophobicContact CB-CE 3.85Å; I355-M363 HydrophobicContact CD1-CE 4.45Å; I355-M363 HydrophobicContact CG2-CE 3.26Å; E356-M363 HydrophobicContact CG-CG 4.25Å; E356-M363 PolarHBondContact OE1-N 3.04Å
364S95.8Very high91.2Very high69 Ų6978.7 Ų78.748%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-79.2134.1174.4-720000110.6E217 F218 Y219 L366E217-S364 PolarHBondContact O-N 3.47Å; F218-S364 CarbonylContact C-O 3.6Å; F218-S364 WeakPolarHBondContact CA-O 3.29Å; Y219-S364 PolarHBondContact N-O 2.94Å; S364-L366 PolarHBondContact O-N 2.61Å
365A96.8Very high91.3Very high71 Ų7177.8 Ų77.859%0.58740%0.404SS*.EExtended strand (participates in β ladder)trans-72.4123172.200000109.5Y219Y219-A365 HydrophobicContact CE1-CB 3.86Å; Y219-A365 HydrophobicContact CE2-CB 4.13Å; Y219-A365 WeakPolarHBondContact OH-CB 3.21Å
366L96.9Very high91.4Very high43 Ų4382 Ų8223%0.22542%0.423CS..  trans-113.8117.7176.9-169.262.1000109.6F218 Y219 T220 F234 V341 S364F218-L366 HydrophobicContact CB-CB 3.85Å; F218-L366 HydrophobicContact CB-CD2 3.97Å; F218-L366 HydrophobicContact CD1-CB 3.85Å; F218-L366 HydrophobicContact CD1-CD1 4.25Å; F218-L366 HydrophobicContact CD1-CD2 4.17Å; F218-L366 HydrophobicContact CD1-CG 4.33Å; F218-L366 HydrophobicContact CD2-CD2 4.3Å; F218-L366 HydrophobicContact CE1-CD1 4.44Å; F218-L366 HydrophobicContact CG-CB 4.08Å; F218-L366 HydrophobicContact CG-CD2 3.89Å; F218-L366 HydrophobicContact CG-CG 4.48Å; Y219-L366 PolarHBondContact O-N 2.92Å; T220-L366 WeakPolarHBondContact CA-O 3.42Å; T220-L366 WeakPolarHBondContact CB-O 3.21Å; T220-L366 PolarHBondContact OG1-O 3.46Å; F234-L366 HydrophobicContact CD1-CD2 4.2Å; F234-L366 HydrophobicContact CE1-CD2 3.34Å; F234-L366 HydrophobicContact CE1-CG 3.69Å; F234-L366 HydrophobicContact CZ-CD2 3.82Å; F234-L366 HydrophobicContact CZ-CG 3.87Å; V341-L366 HydrophobicContact CG1-CD2 4.48Å; V341-L366 HydrophobicContact CG2-CD2 4.36Å; S364-L366 PolarHBondContact O-N 2.61Å
367R96.1Very high91.5Very high123 Ų12381 Ų8146%0.46442%0.42SS..PPolyproline II helixtrans-70.8149.3175.964.2164.6-179.676.51110.3F234 H370 E373F234-R367 WeakPolarHBondContact CZ-O 3.39Å; R367-H370 VanDerWaalsContact CZ-CD2 3.45Å; R367-H370 PolarHBondContact NH1-CD2 3.43Å; R367-E373 IonicContact CZ-OE1 3.16Å; R367-E373 IonicContact CZ-OE2 3.47Å; R367-E373 IonicContact NH1-OE1 2.76Å; R367-E373 IonicContact NH1-OE2 3.51Å; R367-E373 PolarHBondContact NH1-OE2 2.74Å; R367-E373 VanDerWaalsContact NH2-CD 3.33Å; R367-E373 IonicContact NH2-OE1 2.71Å; R367-E373 PolarHBondContact NH2-OE1 2.83Å; R367-E373 IonicContact NH2-OE2 3.58Å; R367-E373 PolarHBondContact NH2-OE2 3.12Å
368P95.9Very high91.6Very high50 Ų5075.7 Ų75.733%0.32539%0.39SS..PPolyproline II helixtrans-52.5141166.8-28.637.2000111.6T230T230-P368 HydrophobicContact CG2-CB 3.94Å; T230-P368 HydrophobicContact CG2-CG 4.06Å
369P95Very high92.2Very high14 Ų1477 Ų779%0.09139%0.385CS..PPolyproline II helixtrans-62.3142.9174.8-22.734.2000111.7N233 F234 V237 V374N233-P369 HydrophobicContact CB-CB 4.36Å; N233-P369 HydrophobicContact CB-CG 4.22Å; F234-P369 HydrophobicContact CD1-CG 3.78Å; F234-P369 HydrophobicContact CE1-CG 3.86Å; F234-P369 HydrophobicContact CG-CG 4.18Å; F234-P369 HydrophobicContact CZ-CG 4.35Å; V237-P369 HydrophobicContact CB-CG 4.44Å; V237-P369 HydrophobicContact CG2-CB 3.9Å; V237-P369 HydrophobicContact CG2-CG 4.17Å; P369-V374 HydrophobicContact CB-CG2 3.93Å
370H93.7Very high92.6Very high112 Ų11278.6 Ų78.652%0.51939%0.394SS..PPolyproline II helixtrans-76.1151.2171.5-70.2-56.9000110.1R367 K372 E373 V374R367-H370 VanDerWaalsContact CZ-CD2 3.45Å; R367-H370 PolarHBondContact NH1-CD2 3.43Å; H370-K372 PolarHBondContact O-N 3.2Å; H370-E373 HydrophobicContact CB-CG 4.39Å; H370-E373 WeakPolarHBondContact CB-OE2 3.33Å; H370-E373 IonicContact CD2-OE2 3.84Å; H370-E373 IonicContact CG-OE2 3.17Å; H370-E373 PolarHBondContact N-OE2 2.96Å; H370-E373 WeakPolarHBondContact O-CB 3.38Å; H370-E373 PolarHBondContact O-N 2.65Å; H370-V374 PolarHBondContact O-N 2.71Å; H370-V374 VanDerWaalsContact O-N 3.12Å
371R91.7Very high93Very high178 Ų17877.7 Ų77.767%0.67237%0.372SS*.Hα-helixtrans-50.9-36.4177.7-172.2175.7-178.7-176.30.1113.2V374 L375R371-V374 PolarHBondContact O-N 3.42Å; R371-L375 HydrophobicContact CG-CD1 4.14Å; R371-L375 HydrophobicContact CG-CG 4.38Å; R371-L375 WeakPolarHBondContact O-CB 3.43Å; R371-L375 VanDerWaalsContact O-CG 3.31Å; R371-L375 WeakPolarHBondContact O-CG 3.23Å; R371-L375 PolarHBondContact O-N 3.16Å
372K93.7Very high93.4Very high180 Ų18072.8 Ų72.878%0.78336%0.355SS*.Hα-helixtrans-63.9-39.1176.4-66.2-171.1177.8-171.70113.1H370 Q376H370-K372 PolarHBondContact O-N 3.2Å; K372-Q376 WeakPolarHBondContact O-CB 3.47Å; K372-Q376 PolarHBondContact O-N 3.04Å
373E94.8Very high93.5Very high73 Ų7370 Ų7034%0.34134%0.343SS..Hα-helixtrans-69.7-38.9178.5-62.4170.3129.800110.5V237 R367 H370 A377V237-E373 HydrophobicContact CG2-CB 4.35Å; R367-E373 IonicContact CZ-OE1 3.16Å; R367-E373 IonicContact CZ-OE2 3.47Å; R367-E373 IonicContact NH1-OE1 2.76Å; R367-E373 IonicContact NH1-OE2 3.51Å; R367-E373 PolarHBondContact NH1-OE2 2.74Å; R367-E373 VanDerWaalsContact NH2-CD 3.33Å; R367-E373 IonicContact NH2-OE1 2.71Å; R367-E373 PolarHBondContact NH2-OE1 2.83Å; R367-E373 IonicContact NH2-OE2 3.58Å; R367-E373 PolarHBondContact NH2-OE2 3.12Å; H370-E373 HydrophobicContact CB-CG 4.39Å; H370-E373 WeakPolarHBondContact CB-OE2 3.33Å; H370-E373 IonicContact CD2-OE2 3.84Å; H370-E373 IonicContact CG-OE2 3.17Å; H370-E373 PolarHBondContact N-OE2 2.96Å; H370-E373 WeakPolarHBondContact O-CB 3.38Å; H370-E373 PolarHBondContact O-N 2.65Å; E373-A377 WeakPolarHBondContact O-CB 3.44Å; E373-A377 PolarHBondContact O-N 2.8Å
374V93.1Very high93.4Very high6 Ų674.9 Ų74.94%0.03637%0.365CS..Hα-helixtrans-64.7-47.4175.7179.90000111.2N233 D236 V237 P369 H370 R371 A377 R378N233-V374 HydrophobicContact CB-CG2 3.62Å; D236-V374 HydrophobicContact CB-CG1 4.11Å; V237-V374 HydrophobicContact CG2-CG2 4.13Å; P369-V374 HydrophobicContact CB-CG2 3.93Å; H370-V374 PolarHBondContact O-N 2.71Å; H370-V374 VanDerWaalsContact O-N 3.12Å; R371-V374 PolarHBondContact O-N 3.42Å; V374-A377 PolarHBondContact O-N 2.78Å; V374-R378 WeakPolarHBondContact O-CG 3.47Å; V374-R378 PolarHBondContact O-N 3.41Å
375L91.7Very high93.2Very high46 Ų4675.7 Ų75.724%0.24136%0.36CS..Hα-helixtrans-60.5-46.6177.4-72.6172.3000111.3R371 A377 R378 E379 V423R371-L375 HydrophobicContact CG-CD1 4.14Å; R371-L375 HydrophobicContact CG-CG 4.38Å; R371-L375 WeakPolarHBondContact O-CB 3.43Å; R371-L375 VanDerWaalsContact O-CG 3.31Å; R371-L375 WeakPolarHBondContact O-CG 3.23Å; R371-L375 PolarHBondContact O-N 3.16Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.27Å; L375-R378 PolarHBondContact O-N 3.16Å; L375-E379 VanDerWaalsContact O-CG 3.3Å; L375-E379 WeakPolarHBondContact O-CG 3.29Å; L375-E379 PolarHBondContact O-N 3.36Å; L375-V423 HydrophobicContact CD2-CG1 4.17Å
376Q93.3Very high92.9Very high93 Ų9374.7 Ų74.744%0.43535%0.347SS..Hα-helixtrans-57.9-45.7176.5-174.963.258.900112K372 R378 E379 D380K372-Q376 WeakPolarHBondContact O-CB 3.47Å; K372-Q376 PolarHBondContact O-N 3.04Å; Q376-R378 VanDerWaalsContact C-N 3.31Å; Q376-R378 PolarHBondContact O-N 3.33Å; Q376-E379 WeakPolarHBondContact O-CB 3.08Å; Q376-E379 PolarHBondContact O-N 2.97Å; Q376-D380 PolarHBondContact NE2-OD1 3.38Å; Q376-D380 VanDerWaalsContact O-CG 3.23Å; Q376-D380 PolarHBondContact O-N 3.5Å
377A92.8Very high92.6Very high10 Ų1078.1 Ų78.18%0.08336%0.361CS..Hα-helixtrans-65.8-34.1-179.600000112.7D236 V237 Q239 E373 V374 L375 D381D236-A377 VanDerWaalsContact O-CB 3.24Å; D236-A377 WeakPolarHBondContact O-CB 3.34Å; V237-A377 HydrophobicContact CG2-CB 4.18Å; Q239-A377 PolarHBondContact NE2-O 2.8Å; E373-A377 WeakPolarHBondContact O-CB 3.44Å; E373-A377 PolarHBondContact O-N 2.8Å; V374-A377 PolarHBondContact O-N 2.78Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.27Å; A377-D381 PolarHBondContact O-N 2.93Å
378R91Very high92.4Very high22 Ų2276.1 Ų76.18%0.08336%0.36CS..Hα-helixtrans-68.4-41.5172.5-70.8179-176.6177.75.3112.1D236 V374 L375 Q376 D380 D381 I382 D427D236-R378 HydrophobicContact CB-CG 4.41Å; D236-R378 IonicContact OD2-CZ 2.7Å; D236-R378 VanDerWaalsContact OD2-CZ 3.3Å; D236-R378 IonicContact OD2-NE 2.67Å; D236-R378 PolarHBondContact OD2-NE 3.4Å; D236-R378 IonicContact OD2-NH2 3.26Å; D236-R378 PolarHBondContact OD2-NH2 3.36Å; V374-R378 WeakPolarHBondContact O-CG 3.47Å; V374-R378 PolarHBondContact O-N 3.41Å; L375-R378 PolarHBondContact O-N 3.16Å; Q376-R378 VanDerWaalsContact C-N 3.31Å; Q376-R378 PolarHBondContact O-N 3.33Å; R378-D380 VanDerWaalsContact C-N 3.3Å; R378-D380 PolarHBondContact O-N 2.77Å; R378-D381 PolarHBondContact O-N 3.38Å; R378-I382 WeakPolarHBondContact O-CB 3.35Å; R378-I382 VanDerWaalsContact O-CG1 3.31Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 2.76Å; R378-D427 IonicContact CZ-OD1 3.66Å; R378-D427 VanDerWaalsContact NH1-CG 3.28Å; R378-D427 IonicContact NH1-OD1 2.7Å; R378-D427 PolarHBondContact NH1-OD1 2.74Å; R378-D427 IonicContact NH1-OD2 3.64Å; R378-D427 PolarHBondContact NH1-OD2 2.7Å; R378-D427 IonicContact NH2-OD1 2.72Å; R378-D427 PolarHBondContact NH2-OD1 2.67Å
379E91.7Very high92.2Very high93 Ų9379.6 Ų79.644%0.43537%0.367SS..Hα-helixtrans-59.7-43.1175-72168.5-162.900110.9L375 Q376 I382 K383 V423L375-E379 VanDerWaalsContact O-CG 3.3Å; L375-E379 WeakPolarHBondContact O-CG 3.29Å; L375-E379 PolarHBondContact O-N 3.36Å; Q376-E379 WeakPolarHBondContact O-CB 3.08Å; Q376-E379 PolarHBondContact O-N 2.97Å; E379-I382 PolarHBondContact O-N 3.21Å; E379-K383 WeakPolarHBondContact O-CB 3.45Å; E379-K383 PolarHBondContact O-N 3.17Å; E379-V423 HydrophobicContact CG-CG2 4.44Å
380D92.4Very high91.9Very high83 Ų8386.2 Ų86.244%0.44440%0.399SS..Hα-helixtrans-65.1-45.5177.8-65.6-23.4000112.1Q376 R378 K383 E384Q376-D380 PolarHBondContact NE2-OD1 3.38Å; Q376-D380 VanDerWaalsContact O-CG 3.23Å; Q376-D380 PolarHBondContact O-N 3.5Å; R378-D380 VanDerWaalsContact C-N 3.3Å; R378-D380 PolarHBondContact O-N 2.77Å; D380-K383 WeakPolarHBondContact O-CB 3.21Å; D380-K383 PolarHBondContact O-N 3.02Å; D380-E384 PolarHBondContact O-N 2.87Å; D380-E384 VanDerWaalsContact O-N 3.11Å
381D90.8Very high91.6Very high49 Ų4985.5 Ų85.526%0.26241%0.406SS..Hα-helixtrans-62.4-42.1175.6166.571.8000112.3A377 R378 K383 E384 K385A377-D381 PolarHBondContact O-N 2.93Å; R378-D381 PolarHBondContact O-N 3.38Å; D381-K383 VanDerWaalsContact C-N 3.34Å; D381-E384 PolarHBondContact O-N 2.93Å; D381-K385 VanDerWaalsContact CG-NZ 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.4Å; D381-K385 PolarHBondContact O-N 3.05Å; D381-K385 WeakPolarHBondContact OD1-CE 3.31Å; D381-K385 IonicContact OD1-NZ 3.92Å; D381-K385 PolarHBondContact OD1-NZ 3.05Å; D381-K385 VanDerWaalsContact OD2-CE 3.29Å; D381-K385 WeakPolarHBondContact OD2-CE 3.49Å; D381-K385 IonicContact OD2-NZ 3.21Å; D381-K385 PolarHBondContact OD2-NZ 3.38Å
382I91.2Very high91.4Very high13 Ų1383.6 Ų83.67%0.06740%0.403CS..Hα-helixtrans-66.3-39.6177.6-73.3166.1000110.7R378 E379 E384 K385 V386 L419 L422 V423R378-I382 WeakPolarHBondContact O-CB 3.35Å; R378-I382 VanDerWaalsContact O-CG1 3.31Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 2.76Å; E379-I382 PolarHBondContact O-N 3.21Å; I382-E384 PolarHBondContact O-N 3.37Å; I382-K385 WeakPolarHBondContact O-CB 3.4Å; I382-K385 PolarHBondContact O-N 2.93Å; I382-V386 HydrophobicContact CG2-CG2 4.22Å; I382-V386 VanDerWaalsContact O-CG2 3.29Å; I382-V386 WeakPolarHBondContact O-CG2 3.44Å; I382-V386 PolarHBondContact O-N 3.43Å; I382-L419 HydrophobicContact CG2-CD2 3.55Å; I382-L422 HydrophobicContact CD1-CB 4.02Å; I382-L422 HydrophobicContact CG2-CD1 4.5Å; I382-V423 HydrophobicContact CD1-CB 4.03Å; I382-V423 HydrophobicContact CD1-CG2 3.36Å
383K92Very high91.1Very high131 Ų13183.6 Ų83.657%0.5741%0.405SS*.Hα-helixtrans-59.1-47.6176-175.2-177.5175-172.50111.5E379 D380 D381 K385 V386 E387E379-K383 WeakPolarHBondContact O-CB 3.45Å; E379-K383 PolarHBondContact O-N 3.17Å; D380-K383 WeakPolarHBondContact O-CB 3.21Å; D380-K383 PolarHBondContact O-N 3.02Å; D381-K383 VanDerWaalsContact C-N 3.34Å; K383-K385 VanDerWaalsContact C-N 3.32Å; K383-K385 PolarHBondContact O-N 2.91Å; K383-V386 PolarHBondContact O-N 3.11Å; K383-E387 WeakPolarHBondContact O-CG 3.23Å; K383-E387 PolarHBondContact O-N 3.39Å
384E91.5Very high90.5Very high114 Ų11483.3 Ų83.353%0.53341%0.412SS..Hα-helixtrans-60.9-41.5176.4-170.6-172.1160.900111.7D380 D381 I382 E387 N388D380-E384 PolarHBondContact O-N 2.87Å; D380-E384 VanDerWaalsContact O-N 3.11Å; D381-E384 PolarHBondContact O-N 2.93Å; I382-E384 PolarHBondContact O-N 3.37Å; E384-E387 PolarHBondContact O-N 2.94Å; E384-N388 WeakPolarHBondContact O-CB 3.42Å; E384-N388 PolarHBondContact O-N 2.65Å; E384-N388 PolarHBondContact O-ND2 3.44Å; E384-N388 VanDerWaalsContact O-ND2 3.1Å
385K90.9Very high90.2Very high85 Ų8589.3 Ų89.337%0.3744%0.439SS..Hα-helixtrans-62-43.9175.5-75.4169.5179.6165.20112.4D381 I382 K383 N388 W389D381-K385 VanDerWaalsContact CG-NZ 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.4Å; D381-K385 PolarHBondContact O-N 3.05Å; D381-K385 WeakPolarHBondContact OD1-CE 3.31Å; D381-K385 IonicContact OD1-NZ 3.92Å; D381-K385 PolarHBondContact OD1-NZ 3.05Å; D381-K385 VanDerWaalsContact OD2-CE 3.29Å; D381-K385 WeakPolarHBondContact OD2-CE 3.49Å; D381-K385 IonicContact OD2-NZ 3.21Å; D381-K385 PolarHBondContact OD2-NZ 3.38Å; I382-K385 WeakPolarHBondContact O-CB 3.4Å; I382-K385 PolarHBondContact O-N 2.93Å; K383-K385 VanDerWaalsContact C-N 3.32Å; K383-K385 PolarHBondContact O-N 2.91Å; K385-N388 CarbonylContact O-C 3.5Å; K385-N388 WeakPolarHBondContact O-CB 3.49Å; K385-N388 PolarHBondContact O-N 3.24Å; K385-W389 HydrophobicContact CB-CH2 4.02Å; K385-W389 HydrophobicContact CB-CZ2 3.87Å; K385-W389 HydrophobicContact CB-CZ3 4.39Å; K385-W389 HydrophobicContact CD-CZ2 4.44Å; K385-W389 HydrophobicContact CG-CZ2 4.48Å; K385-W389 VanDerWaalsContact O-CD2 3.27Å; K385-W389 PolarHBondContact O-N 2.91Å
386V91.1Very high90Very high50 Ų5092.1 Ų92.130%0.30346%0.463SS..Hα-helixtrans-62.5-45.2177.9170.40000110.4I382 K383 N388 W389 M390 L419I382-V386 HydrophobicContact CG2-CG2 4.22Å; I382-V386 VanDerWaalsContact O-CG2 3.29Å; I382-V386 WeakPolarHBondContact O-CG2 3.44Å; I382-V386 PolarHBondContact O-N 3.43Å; K383-V386 PolarHBondContact O-N 3.11Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 3.44Å; V386-W389 HydrophobicContact CB-CE3 4.44Å; V386-W389 HydrophobicContact CG2-CE3 3.9Å; V386-W389 HydrophobicContact CG2-CZ3 3.89Å; V386-W389 PolarHBondContact O-N 2.93Å; V386-M390 HydrophobicContact CG1-CG 4.27Å; V386-M390 VanDerWaalsContact O-CG 3.27Å; V386-M390 WeakPolarHBondContact O-CG 3.46Å; V386-M390 PolarHBondContact O-N 3.31Å; V386-L419 HydrophobicContact CG2-CD2 4.24Å
387E91.3Very high90Very high115 Ų11595.7 Ų95.754%0.53747%0.472SS..Hα-helixtrans-57.1-43.8175.2-71.6176.8-174.700111.6K383 E384 W389 M390 S391K383-E387 WeakPolarHBondContact O-CG 3.23Å; K383-E387 PolarHBondContact O-N 3.39Å; E384-E387 PolarHBondContact O-N 2.94Å; E387-W389 VanDerWaalsContact C-N 3.35Å; E387-W389 PolarHBondContact O-N 3.26Å; E387-M390 PolarHBondContact O-N 2.97Å; E387-S391 PolarHBondContact O-N 3.49Å
388N91.9Very high89.9Confident82 Ų8299.8 Ų99.844%0.43949%0.492SS..Hα-helixtrans-68-27.9175.3-76.5-41.9000114.3E384 K385 V386 S391E384-N388 WeakPolarHBondContact O-CB 3.42Å; E384-N388 PolarHBondContact O-N 2.65Å; E384-N388 PolarHBondContact O-ND2 3.44Å; E384-N388 VanDerWaalsContact O-ND2 3.1Å; K385-N388 CarbonylContact O-C 3.5Å; K385-N388 WeakPolarHBondContact O-CB 3.49Å; K385-N388 PolarHBondContact O-N 3.24Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 3.44Å; N388-S391 PolarHBondContact O-OG 2.95Å; N388-S391 VanDerWaalsContact O-OG 3.07Å
389W91.1Very high89.8Confident122 Ų122103.4 Ų103.446%0.46251%0.509SS..Hα-helixtrans-77.3-37.2174.2-64.2-25.8000111.6K385 V386 E387 S391 K392 L422K385-W389 HydrophobicContact CB-CH2 4.02Å; K385-W389 HydrophobicContact CB-CZ2 3.87Å; K385-W389 HydrophobicContact CB-CZ3 4.39Å; K385-W389 HydrophobicContact CD-CZ2 4.44Å; K385-W389 HydrophobicContact CG-CZ2 4.48Å; K385-W389 VanDerWaalsContact O-CD2 3.27Å; K385-W389 PolarHBondContact O-N 2.91Å; V386-W389 HydrophobicContact CB-CE3 4.44Å; V386-W389 HydrophobicContact CG2-CE3 3.9Å; V386-W389 HydrophobicContact CG2-CZ3 3.89Å; V386-W389 PolarHBondContact O-N 2.93Å; E387-W389 VanDerWaalsContact C-N 3.35Å; E387-W389 PolarHBondContact O-N 3.26Å; W389-S391 PolarHBondContact O-N 3.31Å; W389-K392 WeakPolarHBondContact O-CB 3.3Å; W389-K392 PolarHBondContact O-N 2.94Å; W389-L422 HydrophobicContact CH2-CD1 4.38Å; W389-L422 HydrophobicContact CZ3-CD1 4.06Å
390M87.8Confident89.9Confident154 Ų154106.6 Ų106.676%0.75952%0.517SS*.Hα-helixtrans-64-24.5178-71.5-59-6500113V386 E387 K392V386-M390 HydrophobicContact CG1-CG 4.27Å; V386-M390 VanDerWaalsContact O-CG 3.27Å; V386-M390 WeakPolarHBondContact O-CG 3.46Å; V386-M390 PolarHBondContact O-N 3.31Å; E387-M390 PolarHBondContact O-N 2.97Å; M390-K392 PolarHBondContact O-N 3.41Å
391S87.8Confident89.9Confident97 Ų97105.8 Ų105.868%0.67851%0.511SS*.THydrogen-bonded Turntrans-75.8-7.7174.180.60000113.9E387 N388 W389E387-S391 PolarHBondContact O-N 3.49Å; N388-S391 PolarHBondContact O-OG 2.95Å; N388-S391 VanDerWaalsContact O-OG 3.07Å; W389-S391 PolarHBondContact O-N 3.31Å
392K88.4Confident90Very high137 Ų137105.8 Ų105.860%0.59652%0.516SS*.SBendtrans-104.3143.2-178-61.1176.6-173.7175.20110.1W389 M390 S394W389-K392 WeakPolarHBondContact O-CB 3.3Å; W389-K392 PolarHBondContact O-N 2.94Å; M390-K392 PolarHBondContact O-N 3.41Å; K392-S394 PolarHBondContact O-N 3.3Å
393E85.9Confident90.1Very high180 Ų180108.9 Ų108.984%0.84154%0.535SS*.PPolyproline II helixtrans-71.8124.6178.4-173.1163.1-160.500111.3
394S82.2Confident90.2Very high68 Ų68107.3 Ų107.348%0.47653%0.53SS..PPolyproline II helixtrans-80.6141.2177.5-380000111.9K392 K399K392-S394 PolarHBondContact O-N 3.3Å; S394-K399 WeakPolarHBondContact O-CE 3.22Å
395E87.7Confident90.4Very high132 Ų132104.7 Ų104.762%0.61752%0.519SS*.PPolyproline II helixtrans-60.5145.8176.5-64-176.6-175.200112.6R397 L398 K399E395-R397 PolarHBondContact O-N 3.09Å; E395-L398 HydrophobicContact CB-CG 4.47Å; E395-L398 PolarHBondContact O-N 3.42Å; E395-K399 PolarHBondContact O-N 3.43Å; E395-K399 VanDerWaalsContact O-N 3.12Å
396S88Confident90.6Very high104 Ų104105 Ų10573%0.72752%0.524SS*.Hα-helixtrans-56.6-34.7178.456.90000113.3K399 R400S396-K399 PolarHBondContact O-N 3.32Å; S396-R400 PolarHBondContact O-N 2.73Å; S396-R400 VanDerWaalsContact O-N 3.16Å
397R92.1Very high90.7Very high169 Ų169109 Ų10964%0.63854%0.544SS*.Hα-helixtrans-60-44.5175178.9-176.6170-170.8-3.1112.1E395 R400 I401E395-R397 PolarHBondContact O-N 3.09Å; R397-R400 PolarHBondContact O-N 2.96Å; R397-I401 PolarHBondContact O-N 2.97Å
398L90.6Very high90.9Very high96 Ų96110.1 Ų110.150%0.50355%0.549SS..Hα-helixtrans-71.9-37.7-179-63.9179.3000111.1E395 R400 I401 S402E395-L398 HydrophobicContact CB-CG 4.47Å; E395-L398 PolarHBondContact O-N 3.42Å; L398-R400 VanDerWaalsContact C-N 3.28Å; L398-R400 PolarHBondContact O-N 3.08Å; L398-I401 PolarHBondContact O-N 3.3Å; L398-S402 PolarHBondContact O-N 3.37Å; L398-S402 PolarHBondContact O-OG 3.08Å
399K90.2Very high91Very high98 Ų98112.6 Ų112.643%0.42655%0.553SS.*Hα-helixtrans-57.6-40173.8-70.5-178.6179.8172.90112.4S394 E395 S396 S402 T403S394-K399 WeakPolarHBondContact O-CE 3.22Å; E395-K399 PolarHBondContact O-N 3.43Å; E395-K399 VanDerWaalsContact O-N 3.12Å; S396-K399 PolarHBondContact O-N 3.32Å; K399-S402 VanDerWaalsContact CA-OG 3.3Å; K399-S402 WeakPolarHBondContact CA-OG 3.39Å; K399-S402 PolarHBondContact O-OG 3.38Å; K399-T403 PolarHBondContact O-N 2.99Å; K399-T403 PolarHBondContact O-OG1 3.17Å
400R93Very high91.2Very high160 Ų160110.6 Ų110.660%0.60455%0.552SS**Hα-helixtrans-61.3-50.4176.3-171-175.770.6-1751.1111.5S396 R397 L398 S402 T403 E404S396-R400 PolarHBondContact O-N 2.73Å; S396-R400 VanDerWaalsContact O-N 3.16Å; R397-R400 PolarHBondContact O-N 2.96Å; L398-R400 VanDerWaalsContact C-N 3.28Å; L398-R400 PolarHBondContact O-N 3.08Å; R400-S402 PolarHBondContact O-N 3.03Å; R400-T403 PolarHBondContact O-N 3.47Å; R400-E404 IonicContact NE-OE1 3.77Å; R400-E404 WeakPolarHBondContact O-CG 3.48Å; R400-E404 PolarHBondContact O-N 3.27Å
401I93.6Very high91.4Very high65 Ų65107.7 Ų107.733%0.33354%0.539SS..Hα-helixtrans-64.5-41-179.4-62.5170.4000110.7R397 L398 T403 E404 L405R397-I401 PolarHBondContact O-N 2.97Å; L398-I401 PolarHBondContact O-N 3.3Å; I401-T403 VanDerWaalsContact C-N 3.32Å; I401-T403 PolarHBondContact O-N 3.35Å; I401-E404 PolarHBondContact O-N 2.71Å; I401-L405 HydrophobicContact CG2-CD1 4.03Å; I401-L405 HydrophobicContact CG2-CG 4.49Å; I401-L405 WeakPolarHBondContact O-CG 3.33Å; I401-L405 PolarHBondContact O-N 3.26Å
402S91.8Very high91.7Very high50 Ų50107.6 Ų107.635%0.3554%0.535SS..Hα-helixtrans-63.3-38.2177.160.10000112.2L398 K399 R400 L405 L406L398-S402 PolarHBondContact O-N 3.37Å; L398-S402 PolarHBondContact O-OG 3.08Å; K399-S402 VanDerWaalsContact CA-OG 3.3Å; K399-S402 WeakPolarHBondContact CA-OG 3.39Å; K399-S402 PolarHBondContact O-OG 3.38Å; R400-S402 PolarHBondContact O-N 3.03Å; S402-L405 PolarHBondContact O-N 3.43Å; S402-L406 WeakPolarHBondContact O-CB 3.25Å; S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.3Å
403T93.1Very high92Very high78 Ų78106.4 Ų106.448%0.47953%0.534SS..Hα-helixtrans-67.3-40.1175.7-58.30000111.8K399 R400 I401 L405 L406 N407K399-T403 PolarHBondContact O-N 2.99Å; K399-T403 PolarHBondContact O-OG1 3.17Å; R400-T403 PolarHBondContact O-N 3.47Å; I401-T403 VanDerWaalsContact C-N 3.32Å; I401-T403 PolarHBondContact O-N 3.35Å; T403-L405 VanDerWaalsContact C-N 3.34Å; T403-L406 PolarHBondContact O-N 2.83Å; T403-N407 VanDerWaalsContact O-CG 3.23Å; T403-N407 PolarHBondContact O-N 2.82Å; T403-N407 VanDerWaalsContact O-N 3.15Å; T403-N407 PolarHBondContact O-ND2 2.84Å
404E94Very high92.5Very high98 Ų9899.1 Ų99.146%0.45850%0.501SS..Hα-helixtrans-58.6-46.8173.7-71.7166.1-167.900110.7R400 I401 N407 E408R400-E404 IonicContact NE-OE1 3.77Å; R400-E404 WeakPolarHBondContact O-CG 3.48Å; R400-E404 PolarHBondContact O-N 3.27Å; I401-E404 PolarHBondContact O-N 2.71Å; E404-N407 PolarHBondContact O-N 3.45Å; E404-E408 PolarHBondContact O-N 3.44Å
405L95.8Very high93Very high59 Ų5999.6 Ų99.631%0.30950%0.501SS..Hα-helixtrans-65.5-41.5178.5-69.5168.6000113.3I401 S402 T403 N407 E408 Y409 L414I401-L405 HydrophobicContact CG2-CD1 4.03Å; I401-L405 HydrophobicContact CG2-CG 4.49Å; I401-L405 WeakPolarHBondContact O-CG 3.33Å; I401-L405 PolarHBondContact O-N 3.26Å; S402-L405 PolarHBondContact O-N 3.43Å; T403-L405 VanDerWaalsContact C-N 3.34Å; L405-N407 PolarHBondContact O-N 3.34Å; L405-E408 PolarHBondContact O-N 3.12Å; L405-E408 VanDerWaalsContact O-N 3.15Å; L405-Y409 HydrophobicContact CD2-CD2 4.34Å; L405-Y409 HydrophobicContact CD2-CE2 4.32Å; L405-Y409 PolarHBondContact O-N 3.36Å; L405-L414 HydrophobicContact CB-CD1 4.06Å; L405-L414 HydrophobicContact CB-CD2 3.76Å; L405-L414 HydrophobicContact CD1-CD1 4.22Å; L405-L414 HydrophobicContact CD2-CD1 4.47Å; L405-L414 HydrophobicContact CG-CD1 4.49Å
406L95Very high93.3Very high90 Ų9095.6 Ų95.647%0.47149%0.491SS..Hα-helixtrans-69-19.4178.3-74.9168.7000113.5S402 T403 D411 L414S402-L406 WeakPolarHBondContact O-CB 3.25Å; S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.3Å; T403-L406 PolarHBondContact O-N 2.83Å; L406-D411 HydrophobicContact CD2-CB 3.94Å; L406-L414 HydrophobicContact CD2-CD2 3.94Å; L406-L414 HydrophobicContact CG-CD2 4.11Å
407N94.5Very high93.6Very high134 Ų13493.5 Ų93.572%0.71748%0.479SS*.Hα-helixtrans-79.3-27.1172.2-70.8-29000112.2T403 E404 L405T403-N407 VanDerWaalsContact O-CG 3.23Å; T403-N407 PolarHBondContact O-N 2.82Å; T403-N407 VanDerWaalsContact O-N 3.15Å; T403-N407 PolarHBondContact O-ND2 2.84Å; E404-N407 PolarHBondContact O-N 3.45Å; L405-N407 PolarHBondContact O-N 3.34Å
408E94.1Very high93.6Very high140 Ų14090.3 Ų90.365%0.65448%0.475SS*.Hα-helixtrans-94.7-33.6-177.4-69.1-172.8179.400113.2E404 L405E404-E408 PolarHBondContact O-N 3.44Å; L405-E408 PolarHBondContact O-N 3.12Å; L405-E408 VanDerWaalsContact O-N 3.15Å
409Y95.2Very high93.6Very high133 Ų13388.7 Ų88.752%0.52247%0.466SS..SBendtrans-126.5152.7-173-56.6-81.1000111.8L405L405-Y409 HydrophobicContact CD2-CD2 4.34Å; L405-Y409 HydrophobicContact CD2-CE2 4.32Å; L405-Y409 PolarHBondContact O-N 3.36Å
410N93.7Very high93.7Very high81 Ų8189.1 Ų89.143%0.43347%0.47SS..  trans-64145.2171.2173.8-97.4000110.6V412 D413 L414N410-V412 PolarHBondContact O-N 3.36Å; N410-V412 WeakPolarHBondContact OD1-CA 3.44Å; N410-V412 VanDerWaalsContact OD1-CB 3.25Å; N410-V412 WeakPolarHBondContact OD1-CB 3.26Å; N410-V412 PolarHBondContact OD1-N 3.29Å; N410-D413 HydrophobicContact CB-CB 4.45Å; N410-D413 PolarHBondContact O-N 3.43Å; N410-D413 PolarHBondContact OD1-N 2.84Å; N410-L414 VanDerWaalsContact O-CB 3.31Å; N410-L414 WeakPolarHBondContact O-CB 3.26Å; N410-L414 PolarHBondContact O-N 3.43Å
411D93.2Very high93.5Very high92 Ų9287.4 Ų87.449%0.49247%0.468SS..Hα-helixtrans-58.6-42.5-17955.8-15.4000113.1L406 V415L406-D411 HydrophobicContact CD2-CB 3.94Å; D411-V415 WeakPolarHBondContact O-CB 3.37Å; D411-V415 VanDerWaalsContact O-CG2 3.26Å; D411-V415 WeakPolarHBondContact O-CG2 3.3Å; D411-V415 PolarHBondContact O-N 3.03Å
412V94.4Very high93.2Very high96 Ų9688.1 Ų88.158%0.58247%0.473SS*.Hα-helixtrans-66.2-48.5178.2-1780000111.1N410 L414 V415 A416N410-V412 PolarHBondContact O-N 3.36Å; N410-V412 WeakPolarHBondContact OD1-CA 3.44Å; N410-V412 VanDerWaalsContact OD1-CB 3.25Å; N410-V412 WeakPolarHBondContact OD1-CB 3.26Å; N410-V412 PolarHBondContact OD1-N 3.29Å; V412-L414 VanDerWaalsContact C-N 3.33Å; V412-L414 PolarHBondContact O-N 3.46Å; V412-V415 PolarHBondContact O-N 2.9Å; V412-A416 VanDerWaalsContact O-CB 3.25Å; V412-A416 WeakPolarHBondContact O-CB 3.41Å; V412-A416 PolarHBondContact O-N 3.4Å
413D94.6Very high92.9Very high111 Ų11186.7 Ų86.759%0.59446%0.462SS*.Hα-helixtrans-63.6-40-179.3-69-29.4000111.7N410 A416 A417N410-D413 HydrophobicContact CB-CB 4.45Å; N410-D413 PolarHBondContact O-N 3.43Å; N410-D413 PolarHBondContact OD1-N 2.84Å; D413-A416 PolarHBondContact O-N 2.94Å; D413-A417 WeakPolarHBondContact O-CB 3.47Å; D413-A417 PolarHBondContact O-N 3.5Å
414L95Very high92.4Very high27 Ų2787 Ų8714%0.14146%0.457CS..Hα-helixtrans-63.4-48.4176.8-179.865.1000111.4L405 L406 N410 V412 A417 L418L405-L414 HydrophobicContact CB-CD1 4.06Å; L405-L414 HydrophobicContact CB-CD2 3.76Å; L405-L414 HydrophobicContact CD1-CD1 4.22Å; L405-L414 HydrophobicContact CD2-CD1 4.47Å; L405-L414 HydrophobicContact CG-CD1 4.49Å; L406-L414 HydrophobicContact CD2-CD2 3.94Å; L406-L414 HydrophobicContact CG-CD2 4.11Å; N410-L414 VanDerWaalsContact O-CB 3.31Å; N410-L414 WeakPolarHBondContact O-CB 3.26Å; N410-L414 PolarHBondContact O-N 3.43Å; V412-L414 VanDerWaalsContact C-N 3.33Å; V412-L414 PolarHBondContact O-N 3.46Å; L414-A417 PolarHBondContact O-N 3.23Å; L414-L418 HydrophobicContact CG-CD1 4.49Å; L414-L418 WeakPolarHBondContact O-CG 3.3Å; L414-L418 PolarHBondContact O-N 3.35Å; L414-L418 VanDerWaalsContact O-N 3.14Å
415V93.7Very high91.5Very high78 Ų7884.3 Ų84.347%0.47345%0.452SS..Hα-helixtrans-64.8-41.8178171.50000110.5D411 V412 A417 L418 L419D411-V415 WeakPolarHBondContact O-CB 3.37Å; D411-V415 VanDerWaalsContact O-CG2 3.26Å; D411-V415 WeakPolarHBondContact O-CG2 3.3Å; D411-V415 PolarHBondContact O-N 3.03Å; V412-V415 PolarHBondContact O-N 2.9Å; V415-A417 PolarHBondContact O-N 2.85Å; V415-L418 PolarHBondContact O-N 3.22Å; V415-L419 HydrophobicContact CG1-CD1 3.7Å; V415-L419 HydrophobicContact CG1-CG 4.05Å; V415-L419 WeakPolarHBondContact O-CB 3.45Å; V415-L419 VanDerWaalsContact O-CG 3.26Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 2.95Å
416A93.8Very high90.4Very high49 Ų4984 Ų8441%0.40545%0.451SS..Hα-helixtrans-60.7-43.6177.400000112V412 D413 L418 L419 Q420V412-A416 VanDerWaalsContact O-CB 3.25Å; V412-A416 WeakPolarHBondContact O-CB 3.41Å; V412-A416 PolarHBondContact O-N 3.4Å; D413-A416 PolarHBondContact O-N 2.94Å; A416-L418 PolarHBondContact O-N 2.87Å; A416-L419 PolarHBondContact O-N 3.15Å; A416-Q420 VanDerWaalsContact O-CB 3.32Å; A416-Q420 WeakPolarHBondContact O-CB 3.28Å; A416-Q420 PolarHBondContact O-N 3.27Å
417A93.6Very high89.3Confident59 Ų5983 Ų8349%0.48845%0.446SS..Hα-helixtrans-62.5-42176.700000112.3D413 L414 V415 Q420 E421D413-A417 WeakPolarHBondContact O-CB 3.47Å; D413-A417 PolarHBondContact O-N 3.5Å; L414-A417 PolarHBondContact O-N 3.23Å; V415-A417 PolarHBondContact O-N 2.85Å; A417-Q420 PolarHBondContact O-N 3.43Å; A417-E421 PolarHBondContact O-N 3.04Å
418L92.5Very high88.2Confident102 Ų10284 Ų8453%0.53445%0.447SS..Hα-helixtrans-67.7-41.4176.3-67.8172.9000112.1L414 V415 A416 Q420 E421 L422L414-L418 HydrophobicContact CG-CD1 4.49Å; L414-L418 WeakPolarHBondContact O-CG 3.3Å; L414-L418 PolarHBondContact O-N 3.35Å; L414-L418 VanDerWaalsContact O-N 3.14Å; V415-L418 PolarHBondContact O-N 3.22Å; A416-L418 PolarHBondContact O-N 2.87Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 3.46Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 2.95Å; L418-L422 VanDerWaalsContact O-N 3.12Å
419L91.9Very high87.4Confident62 Ų6280 Ų8033%0.32543%0.431SS..Hα-helixtrans-66.1-38.4176.3-71.6176.6000111.4I382 V386 V415 A416 L422 V423I382-L419 HydrophobicContact CG2-CD2 3.55Å; V386-L419 HydrophobicContact CG2-CD2 4.24Å; V415-L419 HydrophobicContact CG1-CD1 3.7Å; V415-L419 HydrophobicContact CG1-CG 4.05Å; V415-L419 WeakPolarHBondContact O-CB 3.45Å; V415-L419 VanDerWaalsContact O-CG 3.26Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 2.95Å; A416-L419 PolarHBondContact O-N 3.15Å; L419-L422 PolarHBondContact O-N 3.17Å; L419-L422 VanDerWaalsContact O-N 3.17Å; L419-V423 WeakPolarHBondContact O-CB 3.04Å; L419-V423 WeakPolarHBondContact O-CG2 3.19Å; L419-V423 PolarHBondContact O-N 3.04Å
420Q90.4Very high86.7Confident108 Ų10882.4 Ų82.451%0.50545%0.448SS..Hα-helixtrans-59.2-48.3175.8-176.5177.6-1800110.9A416 A417 L418 L422 V423 E424A416-Q420 VanDerWaalsContact O-CB 3.32Å; A416-Q420 WeakPolarHBondContact O-CB 3.28Å; A416-Q420 PolarHBondContact O-N 3.27Å; A417-Q420 PolarHBondContact O-N 3.43Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; Q420-L422 VanDerWaalsContact C-N 3.28Å; Q420-L422 PolarHBondContact O-N 2.75Å; Q420-V423 PolarHBondContact O-N 2.78Å; Q420-E424 HydrophobicContact CG-CG 4.22Å; Q420-E424 WeakPolarHBondContact CG-OE2 3.4Å; Q420-E424 PolarHBondContact NE2-OE2 3.33Å; Q420-E424 WeakPolarHBondContact O-CB 3.4Å; Q420-E424 WeakPolarHBondContact O-CG 3.33Å; Q420-E424 PolarHBondContact O-N 3.35Å
421E89.8Confident86.3Confident123 Ų12379.9 Ų79.958%0.57544%0.435SS*.Hα-helixtrans-56.3-43.7174.5-177.365.6-16000111.4A417 L418 A425A417-E421 PolarHBondContact O-N 3.04Å; L418-E421 PolarHBondContact O-N 3.46Å; E421-A425 VanDerWaalsContact O-CB 3.24Å; E421-A425 WeakPolarHBondContact O-CB 3.16Å; E421-A425 PolarHBondContact O-N 3Å
422L86.7Confident86.1Confident81 Ų8181 Ų8142%0.42444%0.437SS..Hα-helixtrans-68.6-37.4179.8-69.1172.7000113.6I382 W389 L418 L419 Q420I382-L422 HydrophobicContact CD1-CB 4.02Å; I382-L422 HydrophobicContact CG2-CD1 4.5Å; W389-L422 HydrophobicContact CH2-CD1 4.38Å; W389-L422 HydrophobicContact CZ3-CD1 4.06Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 2.95Å; L418-L422 VanDerWaalsContact O-N 3.12Å; L419-L422 PolarHBondContact O-N 3.17Å; L419-L422 VanDerWaalsContact O-N 3.17Å; Q420-L422 VanDerWaalsContact C-N 3.28Å; Q420-L422 PolarHBondContact O-N 2.75Å
423V85.6Confident85.9Confident19 Ų1977.4 Ų77.412%0.11541%0.414CS..Hα-helixtrans-73.4-39.1179.2173.90000111L375 E379 I382 L419 Q420L375-V423 HydrophobicContact CD2-CG1 4.17Å; E379-V423 HydrophobicContact CG-CG2 4.44Å; I382-V423 HydrophobicContact CD1-CB 4.03Å; I382-V423 HydrophobicContact CD1-CG2 3.36Å; L419-V423 WeakPolarHBondContact O-CB 3.04Å; L419-V423 WeakPolarHBondContact O-CG2 3.19Å; L419-V423 PolarHBondContact O-N 3.04Å; Q420-V423 PolarHBondContact O-N 2.78Å
424E82.6Confident85.8Confident84 Ų8475.5 Ų75.539%0.39341%0.407SS..Hα-helixtrans-93-16.4-171-62.9-173.5155.800113.8Q420 N426 D427Q420-E424 HydrophobicContact CG-CG 4.22Å; Q420-E424 WeakPolarHBondContact CG-OE2 3.4Å; Q420-E424 PolarHBondContact NE2-OE2 3.33Å; Q420-E424 WeakPolarHBondContact O-CB 3.4Å; Q420-E424 WeakPolarHBondContact O-CG 3.33Å; Q420-E424 PolarHBondContact O-N 3.35Å; E424-N426 PolarHBondContact O-N 3.46Å; E424-D427 PolarHBondContact O-N 3.33Å
425A75.6Confident85.6Confident42 Ų4279.5 Ų79.535%0.34742%0.423SS..THydrogen-bonded Turntrans-49.8-33.5-177.700000114.7E421E421-A425 VanDerWaalsContact O-CB 3.24Å; E421-A425 WeakPolarHBondContact O-CB 3.16Å; E421-A425 PolarHBondContact O-N 3Å
426N72.3Confident85.3Confident52 Ų5277.7 Ų77.728%0.27841%0.41SS..THydrogen-bonded Turntrans-81.1-19.1-179.5-70.9-12.9000113.8K263 E424K263-N426 WeakPolarHBondContact CD-O 3.32Å; K263-N426 PolarHBondContact NZ-O 2.88Å; K263-N426 VanDerWaalsContact O-CG 3.23Å; K263-N426 PolarHBondContact O-ND2 2.76Å; K263-N426 PolarHBondContact O-OD1 3Å; K263-N426 VanDerWaalsContact O-OD1 3.08Å; E424-N426 PolarHBondContact O-N 3.46Å
427D73.3Confident85.1Confident71 Ų7183 Ų8338%0.3842%0.424SS..THydrogen-bonded Turntrans-80.2-25.1-177.5-78.3-5.4000112.3R378 E424 V429R378-D427 IonicContact CZ-OD1 3.66Å; R378-D427 VanDerWaalsContact NH1-CG 3.28Å; R378-D427 IonicContact NH1-OD1 2.7Å; R378-D427 PolarHBondContact NH1-OD1 2.74Å; R378-D427 IonicContact NH1-OD2 3.64Å; R378-D427 PolarHBondContact NH1-OD2 2.7Å; R378-D427 IonicContact NH2-OD1 2.72Å; R378-D427 PolarHBondContact NH2-OD1 2.67Å; E424-D427 PolarHBondContact O-N 3.33Å; D427-V429 VanDerWaalsContact C-N 3.28Å; D427-V429 PolarHBondContact O-N 3.22Å
428E69.8Low84.8Confident154 Ų15481.6 Ų81.672%0.7241%0.41SS*.SBendtrans-69.3-23.4-176.6-58.9-163.6152.200114.1E430E428-E430 PolarHBondContact O-N 3.38Å
429V77.8Confident84.6Confident55 Ų5577.5 Ų77.533%0.33339%0.388SS..  trans-86.799-177.6-170.20000109.8K263 D427 V431K263-V429 HydrophobicContact CD-CB 4.44Å; K263-V429 WeakPolarHBondContact CE-O 3.32Å; K263-V429 PolarHBondContact NZ-O 3.23Å; D427-V429 VanDerWaalsContact C-N 3.28Å; D427-V429 PolarHBondContact O-N 3.22Å; V429-V431 HydrophobicContact CG1-CG2 3.69Å; V429-V431 PolarHBondContact O-N 2.74Å
430E79.7Confident84.3Confident185 Ų18579 Ų7986%0.86440%0.404SS*.  trans-74.1117172.2-167.2176.3-175.500110E428E428-E430 PolarHBondContact O-N 3.38Å
431V86.4Confident83.5Confident28 Ų2880.7 Ų80.717%0.1741%0.406CS..  trans-124.5114.7179.6-172.20000110.2F228 A259 S262 V429F228-V431 HydrophobicContact CD1-CB 4.34Å; F228-V431 HydrophobicContact CE1-CB 3.91Å; F228-V431 HydrophobicContact CE1-CG1 4.27Å; A259-V431 HydrophobicContact CB-CB 4.46Å; A259-V431 HydrophobicContact CB-CG1 3.47Å; A259-V431 VanDerWaalsContact CB-CG1 3.47Å; S262-V431 WeakPolarHBondContact OG-CG2 3.24Å; V429-V431 HydrophobicContact CG1-CG2 3.69Å; V429-V431 PolarHBondContact O-N 2.74Å
432Q88.2Confident82.2Confident116 Ų11679.5 Ų79.554%0.54240%0.399SS..  trans-107.1115.5173.2-170.666.368.800109.9L225L225-Q432 PolarHBondContact O-NE2 2.98Å
433L90.5Very high80.6Confident19 Ų1978.2 Ų78.210%0.09941%0.405CS..PPolyproline II helixtrans-67.1150.4169.4-58.4-176000110.3F228 E255 L256 A259 F315 F435F228-L433 HydrophobicContact CB-CD1 3.85Å; F228-L433 HydrophobicContact CB-CG 4.03Å; F228-L433 HydrophobicContact CD2-CD1 4.06Å; F228-L433 HydrophobicContact CD2-CG 4.38Å; F228-L433 HydrophobicContact CG-CD1 4.17Å; F228-L433 HydrophobicContact CG-CG 4.19Å; E255-L433 HydrophobicContact CB-CD2 4.08Å; L256-L433 HydrophobicContact CD1-CD1 4.25Å; A259-L433 HydrophobicContact CB-CD2 3.7Å; F315-L433 HydrophobicContact CE1-CD1 3.99Å; F315-L433 HydrophobicContact CZ-CD1 3.72Å; L433-F435 PolarHBondContact O-N 2.95Å
434T91.9Very high78.6Confident71 Ų7188 Ų8844%0.43644%0.44SS..PPolyproline II helixtrans-64.8134.7174.3-52.80000109.9R251 E255 E436R251-T434 PolarHBondContact NH1-OG1 2.98Å; E255-T434 VanDerWaalsContact CD-OG1 3.27Å; E255-T434 PolarHBondContact OE1-OG1 2.97Å; E255-T434 WeakPolarHBondContact OE2-CB 3.41Å; E255-T434 PolarHBondContact OE2-N 3.34Å; E255-T434 PolarHBondContact OE2-OG1 3.27Å; T434-E436 PolarHBondContact O-N 2.74Å
435F91.1Very high76.7Confident111 Ų11191.4 Ų91.449%0.48746%0.461SS..PPolyproline II helixtrans-57.1125.5178.3-174-94.1000112.2E224 L225 L433 K437E224-F435 HydrophobicContact CB-CD2 4.12Å; E224-F435 HydrophobicContact CB-CE2 3.74Å; E224-F435 HydrophobicContact CG-CD2 3.86Å; E224-F435 HydrophobicContact CG-CE2 3.9Å; L225-F435 HydrophobicContact CD2-CB 4.45Å; L225-F435 HydrophobicContact CD2-CD2 3.79Å; L225-F435 HydrophobicContact CG-CD2 4.1Å; L433-F435 PolarHBondContact O-N 2.95Å; F435-K437 HydrophobicContact CE1-CG 3.96Å
436E88.5Confident75Confident41 Ų4192.3 Ų92.319%0.19248%0.475CS..  trans-111133.5169.5-170.779.9-156.900109E224 R251 T434 P438E224-E436 VanDerWaalsContact CG-O 3.28Å; E224-E436 WeakPolarHBondContact CG-O 3.31Å; R251-E436 IonicContact CZ-OE2 2.74Å; R251-E436 IonicContact NH2-OE2 3.66Å; R251-E436 PolarHBondContact NH2-OE2 3.35Å; T434-E436 PolarHBondContact O-N 2.74Å; E436-P438 WeakPolarHBondContact O-CD 3.39Å
437K88.5Confident73.3Confident160 Ų16099.1 Ų99.170%0.69650%0.502SS*.PPolyproline II helixtrans-64.4132.2178-71.1178-178.3176.50109.7R248 F435R248-K437 PolarHBondContact NH1-O 2.86Å; F435-K437 HydrophobicContact CE1-CG 3.96Å
438P89Confident71.9Confident29 Ų29101.4 Ų101.419%0.18852%0.521CS..PPolyproline II helixtrans-55151.8167.6-23.933.7000110.4N345 E348 E436 S440N345-P438 HydrophobicContact CB-CB 3.93Å; N345-P438 HydrophobicContact CB-CG 4.03Å; E348-P438 HydrophobicContact CG-CB 3.94Å; E348-P438 WeakPolarHBondContact OE1-CA 3.46Å; E436-P438 WeakPolarHBondContact O-CD 3.39Å; P438-S440 PolarHBondContact O-N 3.32Å
439L87.8Confident70.7Confident16 Ų1699.6 Ų99.68%0.08453%0.525CS..PPolyproline II helixtrans-55.1132.6174.4-62.3171.5000109.3R248 I317 Q319 E348 Y351 R441R248-L439 VanDerWaalsContact CZ-CD2 3.48Å; I317-L439 HydrophobicContact CG2-CD1 3.94Å; Q319-L439 HydrophobicContact CG-CD1 3.74Å; Q319-L439 HydrophobicContact CG-CD2 3.97Å; Q319-L439 VanDerWaalsContact NE2-CD2 3.29Å; E348-L439 HydrophobicContact CG-CB 4.16Å; E348-L439 PolarHBondContact OE1-N 2.71Å; Y351-L439 HydrophobicContact CD1-CD1 4.37Å; Y351-L439 HydrophobicContact CD2-CB 4.49Å; Y351-L439 HydrophobicContact CD2-CD1 4.38Å; Y351-L439 HydrophobicContact CE1-CD1 4.01Å; Y351-L439 HydrophobicContact CE2-CB 3.63Å; Y351-L439 HydrophobicContact CE2-CD1 4.02Å; Y351-L439 HydrophobicContact CE2-CG 4.49Å; L439-R441 PolarHBondContact O-N 2.79Å
440S84.7Confident68.9Low95 Ų95100.1 Ų100.166%0.66454%0.541SS*.PPolyproline II helixtrans-56.3139.417056.10000108.6Y351 P438 K442Y351-S440 PolarHBondContact OH-O 3.37Å; P438-S440 PolarHBondContact O-N 3.32Å; S440-K442 PolarHBondContact O-N 2.97Å
441R73.2Confident67.1Low142 Ų14296.5 Ų96.554%0.53654%0.537SS..PPolyproline II helixtrans-46.1117.1171-171.1179.5-176.1156.412.2109.5D350 L439 G443D350-R441 IonicContact OD1-NH2 3.39Å; D350-R441 WeakPolarHBondContact OD2-CG 3.42Å; D350-R441 IonicContact OD2-CZ 2.87Å; D350-R441 IonicContact OD2-NE 3.26Å; D350-R441 PolarHBondContact OD2-NE 2.97Å; D350-R441 IonicContact OD2-NH2 3.63Å; D350-R441 PolarHBondContact OD2-NH2 3Å; L439-R441 PolarHBondContact O-N 2.79Å; R441-G443 PolarHBondContact O-N 3.18Å
442K62.5Low64.8Low98 Ų98106.2 Ų106.243%0.42657%0.57SS.*PPolyproline II helixtrans-54.9117.6178.4-156.2171.7-171.6169.60106.8Q319 Y351 S440 R444Q319-K442 PolarHBondContact O-NZ 2.91Å; Y351-K442 HydrophobicContact CE1-CB 4.32Å; Y351-K442 HydrophobicContact CE1-CD 4.17Å; S440-K442 PolarHBondContact O-N 2.97Å; K442-R444 PolarHBondContact O-N 3.46Å; K442-R444 VanDerWaalsContact O-N 3.09Å
443G52.9Low62.5Low54 Ų54107.2 Ų107.256%0.55758%0.579SS**PPolyproline II helixtrans-53123-166.600000110.2R441 N445R441-G443 PolarHBondContact O-N 3.18Å; G443-N445 PolarHBondContact O-N 2.94Å
444R43.5Very low60.1Low225 Ų225117 Ų11785%0.84962%0.615SS**  -5386.2129.8-85.1179.9168.5177.1-2.7104.4K442 G446K442-R444 PolarHBondContact O-N 3.46Å; K442-R444 VanDerWaalsContact O-N 3.09Å; R444-G446 VanDerWaalsContact C-N 3.27Å; R444-G446 PolarHBondContact O-N 3.42Å
445N43.2Very low57.6Low155 Ų155120.9 Ų120.983%0.82963%0.633SS**  trans-49.1109.5162.9-93.8-1.4000103.5G443 K447G443-N445 PolarHBondContact O-N 2.94Å; N445-K447 PolarHBondContact O-N 3.49Å
446G41.4Very low55.4Low62 Ų62119.8 Ų119.864%0.63964%0.639SS**  trans-51.5118.3-176.400000105.7R444R444-G446 VanDerWaalsContact C-N 3.27Å; R444-G446 PolarHBondContact O-N 3.42Å
447K36Very low53.2Low195 Ų195127.3 Ų127.385%0.84867%0.671SS**  trans-40.9120.7149.6-76.6-180172.5179.90104.3N445 S449N445-K447 PolarHBondContact O-N 3.49Å; K447-S449 PolarHBondContact O-N 3.14Å
448P44.2Very low50.7Low119 Ų119132 Ų13277%0.77368%0.684SS**  trans-46.6123.3-176.9-24.830.6000105.8G450P448-G450 VanDerWaalsContact C-N 3.33Å; P448-G450 PolarHBondContact O-N 3.38Å
449S43.6Very low48.4Very low116 Ų116134.3 Ų134.381%0.81171%0.713SS**  trans-45.2108.6-179.343.70000106K447 S451K447-S449 PolarHBondContact O-N 3.14Å; S449-S451 PolarHBondContact O-N 2.9Å
450G39.3Very low46.1Very low66 Ų66141.5 Ų141.568%0.6875%0.752SS**  trans-51.5112.4-174.600000105.1P448 R452P448-G450 VanDerWaalsContact C-N 3.33Å; P448-G450 PolarHBondContact O-N 3.38Å; G450-R452 PolarHBondContact O-N 2.96Å
451S42.3Very low44.3Very low109 Ų109141.6 Ų141.676%0.76275%0.75SS**  trans-41.6112.2172.4176.70000104.7S449 N453S449-S451 PolarHBondContact O-N 2.9Å; S451-N453 PolarHBondContact O-N 3.46Å
452R39.1Very low42.6Very low232 Ų232143.7 Ų143.788%0.87576%0.763SS**  trans-59.291.8178.6-87.5177.2172.7153.1-4104.6G450 R454G450-R452 PolarHBondContact O-N 2.96Å; R452-R454 PolarHBondContact O-N 3.15Å
453N39.4Very low41.4Very low136 Ų136147.9 Ų147.973%0.72778%0.782SS**  trans-68.790176-150.113000103.4S451 N455S451-N453 PolarHBondContact O-N 3.46Å; N453-N455 PolarHBondContact O-N 3.34Å
454R41Very low40.4Very low226 Ų226152.4 Ų152.485%0.85379%0.793SS**  trans-65.579.1170-82.7-178172.6165.9-2.5106.1R452 S456R452-R454 PolarHBondContact O-N 3.15Å; R454-S456 PolarHBondContact O-N 2.99Å
455N39.5Very low40Very low151 Ų151146 Ų14681%0.80778%0.782SS**  trans-6588156.3-97.8-3.2000106.6N453N453-N455 PolarHBondContact O-N 3.34Å
456S44.3Very low39.4Very low88 Ų88147.8 Ų147.862%0.61578%0.783SS**  trans-137.5101.116061.50000109.6R454R454-S456 PolarHBondContact O-N 2.99Å
457K40.9Very low39.1Very low199 Ų199150 Ų15087%0.86579%0.788SS**  trans73.5105.8149.1-63.6175.6176.2177.40115.8
458R37.6Very low38.9Very low260 Ų260149.1 Ų149.198%0.98178%0.784SS**  47.895.687.8-90.8-174.6170.5169.6-2.4111.5
459G39.8Very low38.2Very low77 Ų77153.8 Ų153.879%0.79479%0.787SS**  trans-158.3106.2165.500000108.1
460N40.2Very low37.6Very low167 Ų167153 Ų15389%0.89378%0.781SS**  trans-67.5169.5-171.3-13819.5000112.9
461P47.3Very low37Very low96 Ų96160 Ų16062%0.62379%0.793SS**  trans-98.6163.4-159.439.8-36.4000113.6
462K36Very low36.5Very low186 Ų186158.5 Ų158.581%0.80979%0.794SS**  trans159.7156.1132.6-91.1173.6179.7179.50111.3
463F37Very low35.9Very low187 Ų187158.7 Ų158.782%0.8280%0.796SS**  trans79.998.1175.3-75.8-88.5000114.4
464D33.5Very low35.5Very low148 Ų148156.9 Ų156.979%0.79180%0.795SS**  cis71.9132.348-146.35.8000114.6
465S33.6Very low34.8Very low90 Ų90150.4 Ų150.463%0.62978%0.784SS**  trans81.2114.3170.986.30000120.2
466K31.6Very low34.4Very low194 Ų194151.4 Ų151.484%0.84378%0.781SS**  53.5111.3123.5-69.2173.5176.5168.70117.2
467S34.3Very low33.7Very low107 Ų107154.7 Ų154.775%0.74878%0.784SS**  153139.189.761.20000113.1
468K32.5Very low33Very low177 Ų177154 Ų15477%0.7778%0.781SS**  trans51117.5136.3-72.1179.4177.9173.40120
469R29.4Very low32.8Very low218 Ų218146.4 Ų146.482%0.82377%0.768SS**  77.2125.4120.8-78.1-176.6169.4169.3-3.5119.1
470S30.8Very low32.2Very low99 Ų99149.2 Ų149.269%0.69277%0.77SS**  84.5118.9126.869.30000119.4
471K27.6Very low31.9Very low214 Ų214151 Ų15193%0.9377%0.77SS**  42.7121125.7-73.8179.1173.31730116.5
472G30.5Very low30.9Very low76 Ų76155.4 Ų155.478%0.78478%0.779SS**  trans176.498.8158.100000112.9
473Y27.2Very low30.8Very low236 Ų236156.2 Ų156.293%0.92578%0.783SS**  trans-33.1147.6155.5-91.6-113.3000113.8
474S29.9Very low30.4Very low99 Ų99153.5 Ų153.569%0.69278%0.777SS**  150.4126.4113.3-173.90000112.4
475S28.1Very low30.1Very low90 Ų90157.3 Ų157.363%0.62978%0.781SS**  trans17.5132.8142.974.30000119.7
476K30.3Very low29.9Very low172 Ų172162.1 Ų162.175%0.74879%0.79SS**  174.6143.1107.4-103.8172.2176.3159.10113.4
477K29.1Very low29.6Very low156 Ų156162.1 Ų162.168%0.67879%0.793SS**  trans74.5112.3136.6-80-179.7175.7-178.10117.1
478K27.2Very low29.5Very low184 Ų184165.3 Ų165.380%0.879%0.794SS**  88.5114.682.3-89.1-170.3176.7-170.60110.9
479S32.9Very low29.4Very low102 Ų102161.6 Ų161.671%0.71379%0.79SS**  164.9106.9110.365.40000107.9
480T27.8Very low29.5Very low135 Ų135157.5 Ų157.583%0.82879%0.794SS**  39.2100.997.455.90000114.7
481K33.3Very low29.4Very low205 Ų205156.2 Ų156.289%0.89180%0.797SS**  trans-139.6100.5143.2-103.4178.6-179.8175.30108.8
482K26.2Very low29.6Very low188 Ų188149.5 Ų149.582%0.81779%0.788SS**  trans-62.2138.1151.2-77.2179.4171.3-178.40107.5
483F32.9Very low29.8Very low203 Ų203151.7 Ų151.789%0.8979%0.792SS**  trans-150.9135.7138.1-107-75.2000109.8
484D30.4Very low30.3Very low130 Ų130151.5 Ų151.570%0.69579%0.789SS**  trans-69.2154.3-167.2-76.3-67.1000115.9
485R25.5Very low30.6Very low229 Ų229152.4 Ų152.486%0.86479%0.793SS**  trans18.5122.2139.4-71.5175.2166.6160.8-4.6117.5
486K29.8Very low31.2Very low190 Ų190157.1 Ų157.183%0.82681%0.807SS**  -152.6104.9126.4-110.7169.3-174.1174.80110.1K488K486-K488 PolarHBondContact O-N 3.27Å
487E26.3Very low31.5Very low194 Ų194158.6 Ų158.691%0.90781%0.814SS**  trans-56.1123.8153.1-72173.6153.100108.2
488K32.4Very low31.9Very low175 Ų175154 Ų15476%0.76181%0.811SS**  trans-137.9100158.9-87.9-166.4174.1-174.20108.5K486K486-K488 PolarHBondContact O-N 3.27Å
489S30.6Very low32.5Very low99 Ų99155.8 Ų155.869%0.69281%0.812SS**  trans34.2108.7136.160.90000117.2G491S489-G491 PolarHBondContact O-N 3.42Å; S489-G491 VanDerWaalsContact O-N 3.14Å
490S30.6Very low32.9Very low131 Ų131155.7 Ų155.792%0.91681%0.807SS**  trans-18.5105.3140.851.70000113.7
491G29.5Very low33.5Very low73 Ų73158.6 Ų158.675%0.75381%0.809SS**  trans-134.795.6175.100000110.1S489S489-G491 PolarHBondContact O-N 3.42Å; S489-G491 VanDerWaalsContact O-N 3.14Å
492G31.5Very low34.3Very low72 Ų72152.6 Ų152.674%0.74280%0.797SS**  trans47.496.5152.300000118R494G492-R494 PolarHBondContact O-N 3.44Å
493S35Very low35.6Very low123 Ų123148 Ų14886%0.8678%0.782SS**  trans-58.9102.5153.6-1730000108.2
494R37Very low36.4Very low231 Ų231146.1 Ų146.187%0.87278%0.776SS**  trans-65.5123167-83.1-178.3167.8175.7-3.5107.2G492 M496G492-R494 PolarHBondContact O-N 3.44Å; R494-M496 PolarHBondContact O-N 3.31Å
495P36.8Very low37.1Very low118 Ų118149 Ų14977%0.76679%0.785SS**  trans-65.4126.117826.1-30.3000108.4K497P495-K497 VanDerWaalsContact C-N 3.32Å; P495-K497 PolarHBondContact O-N 3.35Å
496M39.3Very low38.1Very low190 Ų190150.6 Ų150.694%0.93680%0.798SS**  trans-55.298.9165.9-85.8-86-12200107.4R494 G498R494-M496 PolarHBondContact O-N 3.31Å; M496-G498 PolarHBondContact O-N 3.4Å
497K36.8Very low38.5Very low203 Ų203148.7 Ų148.788%0.88380%0.797SS**  trans-64.1101.5173.4-155.6176.1-175.2-177.90106.4P495 R499P495-K497 VanDerWaalsContact C-N 3.32Å; P495-K497 PolarHBondContact O-N 3.35Å; K497-R499 PolarHBondContact O-N 3.28Å
498G37.7Very low39.2Very low59 Ų59146.3 Ų146.361%0.60879%0.791SS**PPolyproline II helixtrans-57.5129.8174.700000109.1M496 T500M496-G498 PolarHBondContact O-N 3.4Å; G498-T500 PolarHBondContact O-N 2.93Å
499R39.5Very low39.5Very low222 Ų222144.7 Ų144.784%0.83879%0.793SS**PPolyproline II helixtrans-60.5126.4173.1-67.5-178.9179.8174.5-3.4108.5K497 D503K497-R499 PolarHBondContact O-N 3.28Å; R499-D503 WeakPolarHBondContact CB-OD2 3.46Å
500T42.9Very low40.1Very low99 Ų99147.4 Ų147.461%0.60780%0.799SS**PPolyproline II helixtrans-87.9161.8176.651.40000109.8G498 A502 D503G498-T500 PolarHBondContact O-N 2.93Å; T500-A502 PolarHBondContact O-N 2.86Å; T500-D503 PolarHBondContact O-N 3.24Å
501F39.6Very low40.6Very low196 Ų196148.4 Ų148.486%0.8679%0.791SS**G310 helixtrans-51-17.3-179-112-93.5000115.1D503 H504F501-D503 PolarHBondContact O-N 2.98Å; F501-H504 PolarHBondContact O-N 3.14Å
502A50Low41.4Very low79 Ų79153.4 Ų153.465%0.65379%0.794SS**G310 helixtrans-65.4-20.7174.600000113.7T500 H504T500-A502 PolarHBondContact O-N 2.86Å; A502-H504 VanDerWaalsContact C-N 3.26Å; A502-H504 PolarHBondContact O-N 3.42Å
503D53.2Low42.1Very low91 Ų91159.2 Ų159.249%0.48780%0.797SS.*G310 helixtrans-82.74.3-178.9-70.3-21.8000113.9R499 T500 F501R499-D503 WeakPolarHBondContact CB-OD2 3.46Å; T500-D503 PolarHBondContact O-N 3.24Å; F501-D503 PolarHBondContact O-N 2.98Å
504H50.9Low42.6Very low165 Ų165162 Ų16276%0.76479%0.793SS**G310 helixtrans-108.88.8179.3-88.6-66.4000115.2F501 A502F501-H504 PolarHBondContact O-N 3.14Å; A502-H504 VanDerWaalsContact C-N 3.26Å; A502-H504 PolarHBondContact O-N 3.42Å
505Q43.3Very low43.1Very low190 Ų190156.3 Ų156.389%0.88879%0.786SS**  trans-115.225.1169.6-78.6-167.5-12.700114.2
506K47.4Very low43.7Very low263 Ų263159.7 Ų159.7100%1.14379%0.788SS**  trans-127.60158.7-72.7-174.8179.2-179.90108.6

Retrieved 506 of 506 residues in 94.7 ms (Link to these results)

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