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Junctophilin

Junctophilins contribute to the formation of junctional membrane complexes (JMCs) which link the plasma membrane with the endoplasmic or sarcoplasmic reticulum in excitable cells. Provides a structural foundation for functional cross-talk between the cell surface and intracellular calcium release channels. JPH4 is brain-specific and appears to have an active role in certain neurons involved in motor coordination and memory.

AlphaFold DB (A0A2K6CSV5), UniProt , Accession A0A096NX40, Species PAPAN (Papio anubis, Olive baboon), Gene JPH4, Length 628 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
1M48.7Very low80.7Confident241 Ų24187 Ų87100%1.18748%0.483SS*.  0127.80-62.2168.290.600106.2
2S53.4Low81.3Confident59 Ų5983.8 Ų83.841%0.41348%0.484SS..PPolyproline II helixtrans-63135.4174.8-400000108.5G4 W19S2-G4 PolarHBondContact O-N 3.14Å; S2-W19 WeakPolarHBondContact CB-O 3.3Å
3P75.2Confident82Confident100 Ų10077.5 Ų77.565%0.64945%0.448SS*.PPolyproline II helixtrans-60.4124-177.424.6-33000109.5W19P3-W19 PolarHBondContact O-N 2.69Å
4G83Confident82.8Confident34 Ų3473.7 Ų73.735%0.35143%0.428SS..EExtended strand (participates in β ladder)trans-84156.6174.200000111.3S2 G17S2-G4 PolarHBondContact O-N 3.14Å; G4-G17 CarbonylContact C-O 3.55Å; G4-G17 VanDerWaalsContact CA-O 3.25Å; G4-G17 WeakPolarHBondContact CA-O 3.49Å
5G89.1Confident83.5Confident16 Ų1668.8 Ų68.817%0.16540%0.4CS..EExtended strand (participates in β ladder)trans-169.5163.3179.500000113.1G17 W19G5-G17 PolarHBondContact N-O 3.2Å; G5-G17 PolarHBondContact O-N 3.03Å; G5-W19 PolarHBondContact O-NE1 2.88Å
6K91.7Very high84.3Confident87 Ų8764.8 Ų64.838%0.37838%0.376SS..EExtended strand (participates in β ladder)trans-102138.6174.5178.6161.9-178.5-85.50110.1D8 Y15 V16 L420K6-D8 VanDerWaalsContact CE-OD1 3.29Å; K6-D8 WeakPolarHBondContact CE-OD1 3.42Å; K6-D8 IonicContact NZ-OD1 2.68Å; K6-D8 PolarHBondContact NZ-OD1 3.47Å; K6-D8 IonicContact NZ-OD2 2.64Å; K6-D8 PolarHBondContact NZ-OD2 3.3Å; K6-Y15 CarbonylContact C-O 3.5Å; K6-Y15 VanDerWaalsContact CA-O 3.3Å; K6-Y15 WeakPolarHBondContact CA-O 3.26Å; K6-V16 HydrophobicContact CB-CG2 4.23Å; K6-V16 HydrophobicContact CD-CG2 4Å; K6-V16 HydrophobicContact CG-CG2 3.95Å; K6-L420 HydrophobicContact CB-CD1 3.5Å; K6-L420 HydrophobicContact CD-CD1 4.4Å
7F90.2Very high84.9Confident59 Ų5960.9 Ų60.926%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-129.6117171.6-177.5-85.9000108.3F9 C14 Y15 W19 P200F7-F9 AromaticContact CD1-CD1 3.72Å; F7-F9 HydrophobicContact CD1-CD1 3.72Å; F7-F9 AromaticContact CD1-CE1 3.45Å; F7-F9 HydrophobicContact CD1-CE1 3.45Å; F7-F9 VanDerWaalsContact CD1-CE1 3.45Å; F7-F9 HydrophobicContact CD1-CG 4.47Å; F7-F9 HydrophobicContact CD1-CZ 4.03Å; F7-F9 AromaticContact CE1-CD1 3.45Å; F7-F9 HydrophobicContact CE1-CD1 3.45Å; F7-F9 VanDerWaalsContact CE1-CD1 3.45Å; F7-F9 AromaticContact CE1-CE1 3.45Å; F7-F9 HydrophobicContact CE1-CE1 3.45Å; F7-F9 VanDerWaalsContact CE1-CE1 3.45Å; F7-F9 HydrophobicContact CE1-CG 4.44Å; F7-F9 HydrophobicContact CE1-CZ 4.45Å; F7-C14 CarbonylContact O-C 3.58Å; F7-C14 VanDerWaalsContact O-CA 3.28Å; F7-C14 WeakPolarHBondContact O-CA 3.45Å; F7-Y15 PolarHBondContact N-O 2.94Å; F7-Y15 PolarHBondContact O-N 3.37Å; F7-W19 HydrophobicContact CB-CH2 4.05Å; F7-W19 HydrophobicContact CB-CZ2 3.65Å; F7-W19 HydrophobicContact CD2-CH2 4.47Å; F7-W19 HydrophobicContact CG-CH2 4.32Å; F7-W19 HydrophobicContact CG-CZ2 4.39Å; F7-P200 HydrophobicContact CE2-CG 4.36Å
8D91.4Very high85.3Confident94 Ų9458.1 Ų58.150%0.50334%0.339SS..EExtended strand (participates in β ladder)trans-88.9139.4176.2-67.5-66.3000110K6 C14K6-D8 VanDerWaalsContact CE-OD1 3.29Å; K6-D8 WeakPolarHBondContact CE-OD1 3.42Å; K6-D8 IonicContact NZ-OD1 2.68Å; K6-D8 PolarHBondContact NZ-OD1 3.47Å; K6-D8 IonicContact NZ-OD2 2.64Å; K6-D8 PolarHBondContact NZ-OD2 3.3Å; D8-C14 VanDerWaalsContact OD1-CB 3.29Å; D8-C14 WeakPolarHBondContact OD1-CB 3.36Å
9F88.6Confident85.6Confident24 Ų2456.7 Ų56.711%0.10533%0.328CS..  trans-97.7146.9177.3-59.6-66.3000110.4F7 D11 G12 G13 R192 L197F7-F9 AromaticContact CD1-CD1 3.72Å; F7-F9 HydrophobicContact CD1-CD1 3.72Å; F7-F9 AromaticContact CD1-CE1 3.45Å; F7-F9 HydrophobicContact CD1-CE1 3.45Å; F7-F9 VanDerWaalsContact CD1-CE1 3.45Å; F7-F9 HydrophobicContact CD1-CG 4.47Å; F7-F9 HydrophobicContact CD1-CZ 4.03Å; F7-F9 AromaticContact CE1-CD1 3.45Å; F7-F9 HydrophobicContact CE1-CD1 3.45Å; F7-F9 VanDerWaalsContact CE1-CD1 3.45Å; F7-F9 AromaticContact CE1-CE1 3.45Å; F7-F9 HydrophobicContact CE1-CE1 3.45Å; F7-F9 VanDerWaalsContact CE1-CE1 3.45Å; F7-F9 HydrophobicContact CE1-CG 4.44Å; F7-F9 HydrophobicContact CE1-CZ 4.45Å; F9-D11 WeakPolarHBondContact CB-OD1 3.29Å; F9-D11 PolarHBondContact O-N 2.9Å; F9-G12 PolarHBondContact O-N 3.43Å; F9-G13 WeakPolarHBondContact CB-O 3.5Å; F9-G13 VanDerWaalsContact CD2-C 3.46Å; F9-G13 WeakPolarHBondContact CD2-O 3.18Å; F9-G13 PolarHBondContact N-O 3.44Å; F9-R192 VanDerWaalsContact CE2-NH1 3.34Å; F9-L197 HydrophobicContact CE1-CD2 3.66Å; F9-L197 HydrophobicContact CZ-CD1 4.34Å; F9-L197 HydrophobicContact CZ-CD2 3.64Å
10D89.6Confident86Confident183 Ų18358.1 Ų58.198%0.97933%0.331SS*.THydrogen-bonded Turntrans-58.5-21.9175.6-59.2-37.1000113.2G12D10-G12 VanDerWaalsContact C-N 3.27Å; D10-G12 PolarHBondContact O-N 2.86Å
11D87Confident86.1Confident60 Ų6060 Ų6032%0.32136%0.355SS..THydrogen-bonded Turntrans-82.12.7176.464.725.8000114.2F9 G13 P33 G34 R192F9-D11 WeakPolarHBondContact CB-OD1 3.29Å; F9-D11 PolarHBondContact O-N 2.9Å; D11-G13 VanDerWaalsContact C-N 3.33Å; D11-G13 PolarHBondContact OD1-N 2.8Å; D11-P33 HydrophobicContact CB-CB 3.98Å; D11-P33 HydrophobicContact CB-CG 4.14Å; D11-P33 CarbonylContact O-C 3.5Å; D11-P33 WeakPolarHBondContact O-CA 3.29Å; D11-G34 PolarHBondContact O-N 3.45Å; D11-R192 IonicContact OD1-NH2 2.69Å; D11-R192 IonicContact OD2-CZ 3.65Å; D11-R192 IonicContact OD2-NE 3.64Å; D11-R192 IonicContact OD2-NH2 2.68Å; D11-R192 PolarHBondContact OD2-NH2 2.87Å
12G87.6Confident88Confident48 Ų4850.7 Ų50.750%0.49532%0.32SS..SBendtrans79.87.817900000114.9F9 D10 A35F9-G12 PolarHBondContact O-N 3.43Å; D10-G12 VanDerWaalsContact C-N 3.27Å; D10-G12 PolarHBondContact O-N 2.86Å; G12-A35 PolarHBondContact O-N 3.15Å
13G90.8Very high89.9Confident2 Ų253 Ų532%0.02132%0.32CS..  trans-81.4173.9160.100000112.1F9 D11 T31 G32F9-G13 WeakPolarHBondContact CB-O 3.5Å; F9-G13 VanDerWaalsContact CD2-C 3.46Å; F9-G13 WeakPolarHBondContact CD2-O 3.18Å; F9-G13 PolarHBondContact N-O 3.44Å; D11-G13 VanDerWaalsContact C-N 3.33Å; D11-G13 PolarHBondContact OD1-N 2.8Å; G13-T31 WeakPolarHBondContact CA-O 3.49Å; G13-G32 VanDerWaalsContact CA-O 3.31Å; G13-G32 WeakPolarHBondContact CA-O 3.27Å
14C92.8Very high90.7Very high25 Ų2548.3 Ų48.317%0.16929%0.289CS..EExtended strand (participates in β ladder)trans-148.6154.316968.40000112.5F7 D8 C30 T31F7-C14 CarbonylContact O-C 3.58Å; F7-C14 VanDerWaalsContact O-CA 3.28Å; F7-C14 WeakPolarHBondContact O-CA 3.45Å; D8-C14 VanDerWaalsContact OD1-CB 3.29Å; D8-C14 WeakPolarHBondContact OD1-CB 3.36Å; C14-C30 CarbonylContact O-C 3.55Å; C14-C30 WeakPolarHBondContact O-CA 3.27Å; C14-T31 PolarHBondContact N-OG1 3.46Å; C14-T31 PolarHBondContact O-N 3.04Å; C14-T31 PolarHBondContact O-OG1 2.98Å
15Y93.9Very high91.3Very high0 Ų049 Ų490%028%0.283CS..EExtended strand (participates in β ladder)trans-104138162.5172.4-94.8000110.1K6 F7 G18 W19 A24 V29 C30 W43 L197K6-Y15 CarbonylContact C-O 3.5Å; K6-Y15 VanDerWaalsContact CA-O 3.3Å; K6-Y15 WeakPolarHBondContact CA-O 3.26Å; F7-Y15 PolarHBondContact N-O 2.94Å; F7-Y15 PolarHBondContact O-N 3.37Å; Y15-G18 PolarHBondContact OH-N 2.64Å; Y15-G18 PolarHBondContact OH-O 2.68Å; Y15-W19 AromaticContact CD1-CE2 3.83Å; Y15-W19 HydrophobicContact CD1-CH2 4.3Å; Y15-W19 AromaticContact CD1-CZ2 3.47Å; Y15-W19 HydrophobicContact CD1-CZ2 3.47Å; Y15-W19 VanDerWaalsContact CD1-CZ2 3.47Å; Y15-W19 AromaticContact CD1-NE1 3.95Å; Y15-W19 HydrophobicContact CE1-CD2 4.41Å; Y15-W19 AromaticContact CE1-CE2 3.65Å; Y15-W19 AromaticContact CE1-CZ2 3.75Å; Y15-W19 HydrophobicContact CE1-CZ2 3.75Å; Y15-W19 AromaticContact CE1-NE1 3.6Å; Y15-A24 HydrophobicContact CE1-CB 4.09Å; Y15-A24 HydrophobicContact CE2-CB 3.92Å; Y15-V29 CarbonylContact C-O 3.3Å; Y15-V29 WeakPolarHBondContact CA-O 3.38Å; Y15-C30 HydrophobicContact CD2-CB 4.22Å; Y15-W43 HydrophobicContact CD2-CZ2 4.1Å; Y15-W43 AromaticContact CE2-CD1 3.97Å; Y15-W43 AromaticContact CE2-CD2 3.94Å; Y15-W43 HydrophobicContact CE2-CD2 3.94Å; Y15-W43 AromaticContact CE2-CE2 3.64Å; Y15-W43 HydrophobicContact CE2-CG 4.16Å; Y15-W43 HydrophobicContact CE2-CZ2 4.08Å; Y15-W43 AromaticContact CE2-NE1 3.65Å; Y15-L197 HydrophobicContact CD2-CD1 4.09Å; Y15-L197 HydrophobicContact CG-CD1 4.26Å
16V95Very high91.6Very high4 Ų449.5 Ų49.52%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-134.8118.4170-169.20000108.4K6 G28 V29 A413 L416K6-V16 HydrophobicContact CB-CG2 4.23Å; K6-V16 HydrophobicContact CD-CG2 4Å; K6-V16 HydrophobicContact CG-CG2 3.95Å; V16-G28 CarbonylContact O-C 3.58Å; V16-G28 VanDerWaalsContact O-CA 3.29Å; V16-G28 WeakPolarHBondContact O-CA 3.25Å; V16-V29 PolarHBondContact N-O 2.89Å; V16-V29 PolarHBondContact O-N 2.96Å; V16-A413 HydrophobicContact CB-CB 4Å; V16-A413 HydrophobicContact CG1-CB 3.9Å; V16-L416 HydrophobicContact CG1-CB 3.99Å; V16-L416 HydrophobicContact CG1-CD1 4.08Å
17G94.9Very high91.8Very high0 Ų049.7 Ų49.70%029%0.287CS..EExtended strand (participates in β ladder)trans169.9-165.3-177.300000113.4G4 G5 Y27G4-G17 CarbonylContact C-O 3.55Å; G4-G17 VanDerWaalsContact CA-O 3.25Å; G4-G17 WeakPolarHBondContact CA-O 3.49Å; G5-G17 PolarHBondContact N-O 3.2Å; G5-G17 PolarHBondContact O-N 3.03Å; G17-Y27 WeakPolarHBondContact CA-O 3.31Å
18G92.3Very high92.1Very high9 Ų946.9 Ų46.99%0.09327%0.274CS..EExtended strand (participates in β ladder)trans-71.9152178.300000114Y15 H25 Y27Y15-G18 PolarHBondContact OH-N 2.64Å; Y15-G18 PolarHBondContact OH-O 2.68Å; G18-H25 CarbonylContact C-O 3.55Å; G18-H25 WeakPolarHBondContact CA-O 3.48Å; G18-H25 PolarHBondContact O-N 3.29Å; G18-H25 VanDerWaalsContact O-O 3.06Å; G18-Y27 PolarHBondContact N-O 3.27Å; G18-Y27 VanDerWaalsContact N-O 3.11Å
19W91.8Very high92.3Very high33 Ų3343.1 Ų43.113%0.12526%0.255CS..EExtended strand (participates in β ladder)trans-129139.5173.8-6584.8000111.5S2 P3 G5 F7 Y15 R23S2-W19 WeakPolarHBondContact CB-O 3.3Å; P3-W19 PolarHBondContact O-N 2.69Å; G5-W19 PolarHBondContact O-NE1 2.88Å; F7-W19 HydrophobicContact CB-CH2 4.05Å; F7-W19 HydrophobicContact CB-CZ2 3.65Å; F7-W19 HydrophobicContact CD2-CH2 4.47Å; F7-W19 HydrophobicContact CG-CH2 4.32Å; F7-W19 HydrophobicContact CG-CZ2 4.39Å; Y15-W19 AromaticContact CD1-CE2 3.83Å; Y15-W19 HydrophobicContact CD1-CH2 4.3Å; Y15-W19 AromaticContact CD1-CZ2 3.47Å; Y15-W19 HydrophobicContact CD1-CZ2 3.47Å; Y15-W19 VanDerWaalsContact CD1-CZ2 3.47Å; Y15-W19 AromaticContact CD1-NE1 3.95Å; Y15-W19 HydrophobicContact CE1-CD2 4.41Å; Y15-W19 AromaticContact CE1-CE2 3.65Å; Y15-W19 AromaticContact CE1-CZ2 3.75Å; Y15-W19 HydrophobicContact CE1-CZ2 3.75Å; Y15-W19 AromaticContact CE1-NE1 3.6Å; W19-R23 CarbonylContact C-O 3.51Å; W19-R23 VanDerWaalsContact CA-O 3.32Å; W19-R23 WeakPolarHBondContact CA-O 3.32Å; W19-R23 VanDerWaalsContact CE3-C 3.44Å
20E92.5Very high92.6Very high84 Ų8442.9 Ų42.939%0.39326%0.256SS..EExtended strand (participates in β ladder)trans-141.7132174.2-175-176-118.500110G22 R23 H25E20-G22 PolarHBondContact O-N 3.18Å; E20-R23 PolarHBondContact N-O 2.97Å; E20-R23 PolarHBondContact O-N 3.19Å; E20-H25 HydrophobicContact CB-CB 3.57Å; E20-H25 IonicContact OE2-CE1 3.81Å; E20-H25 PolarHBondContact OE2-CE1 2.82Å; E20-H25 IonicContact OE2-CG 3.97Å; E20-H25 IonicContact OE2-ND1 2.82Å; E20-H25 PolarHBondContact OE2-ND1 3.06Å; E20-H25 IonicContact OE2-NE2 3.4Å
21A89.4Confident92.8Very high99 Ų9935.5 Ų35.582%0.81822%0.217SC*.THydrogen-bonded Turntrans48.841.8-177.200000113.2R23A21-R23 PolarHBondContact O-N 3.46Å
22G88.3Confident92.7Very high45 Ų4533.6 Ų33.646%0.46421%0.212SC..THydrogen-bonded Turntrans72.25.1-176.700000115.1E20 A198 G199E20-G22 PolarHBondContact O-N 3.18Å; G22-A198 CarbonylContact O-C 3.53Å; G22-A198 VanDerWaalsContact O-CA 3.27Å; G22-A198 WeakPolarHBondContact O-CA 3.23Å; G22-G199 PolarHBondContact O-N 2.89Å
23R92.5Very high92.7Very high108 Ų10833.7 Ų33.741%0.40820%0.204SC..EExtended strand (participates in β ladder)trans-117.8152.3-175.8-58179.4-172.4-1663.6113.3W19 E20 A21 H25 H45 V196 L197W19-R23 CarbonylContact C-O 3.51Å; W19-R23 VanDerWaalsContact CA-O 3.32Å; W19-R23 WeakPolarHBondContact CA-O 3.32Å; W19-R23 VanDerWaalsContact CE3-C 3.44Å; E20-R23 PolarHBondContact N-O 2.97Å; E20-R23 PolarHBondContact O-N 3.19Å; A21-R23 PolarHBondContact O-N 3.46Å; R23-H25 PolarHBondContact O-N 2.99Å; R23-H45 WeakPolarHBondContact CD-O 3.37Å; R23-V196 HydrophobicContact CG-CG1 3.93Å; R23-L197 WeakPolarHBondContact CA-O 3.46Å
24A92.6Very high92.3Very high0 Ų036 Ų360%023%0.228CC..EExtended strand (participates in β ladder)trans-58.5125172.900000111.1Y15 W43 G46 L197Y15-A24 HydrophobicContact CE1-CB 4.09Å; Y15-A24 HydrophobicContact CE2-CB 3.92Å; A24-W43 HydrophobicContact CB-CB 4.37Å; A24-W43 HydrophobicContact CB-CD2 4.16Å; A24-W43 HydrophobicContact CB-CE3 3.87Å; A24-W43 HydrophobicContact CB-CG 4.38Å; A24-G46 WeakPolarHBondContact O-CA 3.2Å; A24-G46 PolarHBondContact O-N 3.33Å; A24-L197 HydrophobicContact CB-CB 3.94Å; A24-L197 HydrophobicContact CB-CD1 4.07Å; A24-L197 PolarHBondContact N-O 3.46Å
25H94.6Very high91.6Very high50 Ų5038 Ų3823%0.23125%0.246CC..EExtended strand (participates in β ladder)trans-149148-176.3-171.3114000111G18 E20 R23 W43G18-H25 CarbonylContact C-O 3.55Å; G18-H25 WeakPolarHBondContact CA-O 3.48Å; G18-H25 PolarHBondContact O-N 3.29Å; G18-H25 VanDerWaalsContact O-O 3.06Å; E20-H25 HydrophobicContact CB-CB 3.57Å; E20-H25 IonicContact OE2-CE1 3.81Å; E20-H25 PolarHBondContact OE2-CE1 2.82Å; E20-H25 IonicContact OE2-CG 3.97Å; E20-H25 IonicContact OE2-ND1 2.82Å; E20-H25 PolarHBondContact OE2-ND1 3.06Å; E20-H25 IonicContact OE2-NE2 3.4Å; R23-H25 PolarHBondContact O-N 2.99Å; H25-W43 CarbonylContact C-O 3.56Å; H25-W43 WeakPolarHBondContact CA-O 3.28Å
26G95.3Very high91.2Very high25 Ų2541.8 Ų41.826%0.25826%0.264SS..EExtended strand (participates in β ladder)trans89.1-128.4173.200000109.6C42 W43G26-C42 CarbonylContact O-C 3.2Å; G26-C42 VanDerWaalsContact O-CA 3.25Å; G26-C42 WeakPolarHBondContact O-CA 3.29Å; G26-W43 PolarHBondContact N-O 3.29Å; G26-W43 PolarHBondContact O-N 3.24Å
27Y96.8Very high90.9Very high91 Ų9142.2 Ų42.236%0.35727%0.269SS..EExtended strand (participates in β ladder)trans-105.7142173.9-54.1-87.5000110.7G17 G18 G41 C42 A405 M408 I412G17-Y27 WeakPolarHBondContact CA-O 3.31Å; G18-Y27 PolarHBondContact N-O 3.27Å; G18-Y27 VanDerWaalsContact N-O 3.11Å; Y27-G41 WeakPolarHBondContact CA-O 3.36Å; Y27-C42 WeakPolarHBondContact CE1-SG 3.49Å; Y27-A405 HydrophobicContact CD1-CB 4.4Å; Y27-A405 HydrophobicContact CE1-CB 4.12Å; Y27-M408 HydrophobicContact CD1-CB 3.89Å; Y27-M408 HydrophobicContact CD2-CB 4.46Å; Y27-M408 HydrophobicContact CE1-CB 4.01Å; Y27-M408 HydrophobicContact CG-CB 4.13Å; Y27-I412 HydrophobicContact CD2-CD1 4.13Å
28G95.9Very high90.9Very high0 Ų044.6 Ų44.60%028%0.28CS..EExtended strand (participates in β ladder)trans-166.8153.2179.300000113.6V16 G41 W43V16-G28 CarbonylContact O-C 3.58Å; V16-G28 VanDerWaalsContact O-CA 3.29Å; V16-G28 WeakPolarHBondContact O-CA 3.25Å; G28-G41 PolarHBondContact N-O 2.97Å; G28-G41 PolarHBondContact O-N 2.87Å; G28-W43 PolarHBondContact O-NE1 2.83Å
29V96.5Very high91.1Very high16 Ų1644.7 Ų44.710%0.09728%0.278CS..EExtended strand (participates in β ladder)trans-105.9133.1176.1-177.40000108.3Y15 V16 E38 Y39 A409 K410 A413Y15-V29 CarbonylContact C-O 3.3Å; Y15-V29 WeakPolarHBondContact CA-O 3.38Å; V16-V29 PolarHBondContact N-O 2.89Å; V16-V29 PolarHBondContact O-N 2.96Å; V29-E38 HydrophobicContact CG1-CG 3.72Å; V29-Y39 CarbonylContact C-O 3.5Å; V29-Y39 WeakPolarHBondContact CA-O 3.39Å; V29-A409 HydrophobicContact CG2-CB 4.07Å; V29-K410 HydrophobicContact CG2-CG 3.94Å; V29-A413 HydrophobicContact CB-CB 4.32Å; V29-A413 HydrophobicContact CG2-CB 3.84Å
30C94.8Very high91.4Very high19 Ų1943.1 Ų43.113%0.12827%0.272CS..EExtended strand (participates in β ladder)trans-127.7126.6175.6-172.90000109.9C14 Y15 E38 Y39 W43C14-C30 CarbonylContact O-C 3.55Å; C14-C30 WeakPolarHBondContact O-CA 3.27Å; Y15-C30 HydrophobicContact CD2-CB 4.22Å; C30-E38 CarbonylContact O-C 3.53Å; C30-E38 WeakPolarHBondContact O-CA 3.37Å; C30-Y39 PolarHBondContact N-O 3.25Å; C30-Y39 PolarHBondContact O-N 2.99Å; C30-W43 HydrophobicContact CB-CH2 3.94Å; C30-W43 HydrophobicContact CB-CZ2 3.57Å
31T93.4Very high91.6Very high27 Ų2739.1 Ų39.117%0.16625%0.253CS..EExtended strand (participates in β ladder)trans-101.5144.7173.852.90000111G13 C14 G37 E38G13-T31 WeakPolarHBondContact CA-O 3.49Å; C14-T31 PolarHBondContact N-OG1 3.46Å; C14-T31 PolarHBondContact O-N 3.04Å; C14-T31 PolarHBondContact O-OG1 2.98Å; T31-G37 WeakPolarHBondContact CA-O 3.45Å; T31-E38 HydrophobicContact CG2-CG 4.31Å
32G85.7Confident92Very high20 Ų2035.5 Ų35.521%0.20622%0.222CC..  trans-76177.6176.600000113.4G13 G34 A35 Q36 G37G13-G32 VanDerWaalsContact CA-O 3.31Å; G13-G32 WeakPolarHBondContact CA-O 3.27Å; G32-G34 PolarHBondContact O-N 2.93Å; G32-A35 VanDerWaalsContact O-CA 3.25Å; G32-A35 WeakPolarHBondContact O-CA 3.16Å; G32-A35 PolarHBondContact O-N 3.41Å; G32-Q36 WeakPolarHBondContact CA-O 3.45Å; G32-Q36 PolarHBondContact O-N 2.8Å; G32-G37 PolarHBondContact N-O 3.28Å
33P86Confident92.4Very high50 Ų5033.7 Ų33.733%0.32520%0.201SC..G310 helixtrans-47.3133.7177.8-29.835.2000113.4D11 A35 Q36D11-P33 HydrophobicContact CB-CB 3.98Å; D11-P33 HydrophobicContact CB-CG 4.14Å; D11-P33 CarbonylContact O-C 3.5Å; D11-P33 WeakPolarHBondContact O-CA 3.29Å; P33-A35 PolarHBondContact O-N 3.28Å; P33-Q36 VanDerWaalsContact O-CB 3.26Å; P33-Q36 WeakPolarHBondContact O-CB 3.21Å; P33-Q36 WeakPolarHBondContact O-CG 3.23Å; P33-Q36 PolarHBondContact O-N 2.87Å
34G82.6Confident92.4Very high51 Ų5130.3 Ų30.353%0.52620%0.196SC..G310 helixtrans56.634.2-17600000113.6D11 G32 Q36D11-G34 PolarHBondContact O-N 3.45Å; G32-G34 PolarHBondContact O-N 2.93Å; G34-Q36 PolarHBondContact O-N 2.94Å
35A79.1Confident92.4Very high66 Ų6635.9 Ų35.955%0.54522%0.222SC..G310 helixtrans54.124.5-169.900000115G12 G32 P33 G37G12-A35 PolarHBondContact O-N 3.15Å; G32-A35 VanDerWaalsContact O-CA 3.25Å; G32-A35 WeakPolarHBondContact O-CA 3.16Å; G32-A35 PolarHBondContact O-N 3.41Å; P33-A35 PolarHBondContact O-N 3.28Å; A35-G37 PolarHBondContact O-N 2.85Å
36Q84.3Confident92.3Very high80 Ų8033.6 Ų33.637%0.37421%0.212SC..  trans-84.3106.8-178.5-63.4-171.432.300112.1G32 P33 G34 P56G32-Q36 WeakPolarHBondContact CA-O 3.45Å; G32-Q36 PolarHBondContact O-N 2.8Å; P33-Q36 VanDerWaalsContact O-CB 3.26Å; P33-Q36 WeakPolarHBondContact O-CB 3.21Å; P33-Q36 WeakPolarHBondContact O-CG 3.23Å; P33-Q36 PolarHBondContact O-N 2.87Å; G34-Q36 PolarHBondContact O-N 2.94Å; Q36-P56 HydrophobicContact CB-CG 4.31Å
37G90Very high92.2Very high14 Ų1435 Ų3514%0.14421%0.211CC..SBendtrans81.6154.4-178.200000112.4T31 G32 A35 T54T31-G37 WeakPolarHBondContact CA-O 3.45Å; G32-G37 PolarHBondContact N-O 3.28Å; A35-G37 PolarHBondContact O-N 2.85Å; G37-T54 CarbonylContact C-O 3.59Å; G37-T54 VanDerWaalsContact CA-O 3.23Å; G37-T54 WeakPolarHBondContact CA-O 3.48Å
38E94.9Very high92.1Very high49 Ų4932.5 Ų32.523%0.22920%0.202CC..EExtended strand (participates in β ladder)trans-139.4126.4-171.3-172.3-150.98500109.5V29 C30 T31 S40 F53 T54 K410V29-E38 HydrophobicContact CG1-CG 3.72Å; C30-E38 CarbonylContact O-C 3.53Å; C30-E38 WeakPolarHBondContact O-CA 3.37Å; T31-E38 HydrophobicContact CG2-CG 4.31Å; E38-S40 PolarHBondContact OE1-OG 3.31Å; E38-F53 CarbonylContact O-C 3.56Å; E38-F53 VanDerWaalsContact O-CA 3.32Å; E38-F53 WeakPolarHBondContact O-CA 3.35Å; E38-T54 PolarHBondContact N-O 2.88Å; E38-T54 PolarHBondContact O-N 3.04Å; E38-K410 WeakPolarHBondContact OE1-CE 2.85Å; E38-K410 IonicContact OE1-NZ 3.79Å; E38-K410 PolarHBondContact OE1-NZ 3.2Å; E38-K410 IonicContact OE2-NZ 3.55Å; E38-K410 PolarHBondContact OE2-NZ 3.46Å
39Y96.5Very high92.1Very high12 Ų1234.5 Ų34.55%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-96.1135158.6175.7-87.4000109.4V29 C30 C42 W43 E48 L50 V52 W65V29-Y39 CarbonylContact C-O 3.5Å; V29-Y39 WeakPolarHBondContact CA-O 3.39Å; C30-Y39 PolarHBondContact N-O 3.25Å; C30-Y39 PolarHBondContact O-N 2.99Å; Y39-C42 PolarHBondContact OH-O 3.19Å; Y39-C42 VanDerWaalsContact OH-O 3.11Å; Y39-W43 AromaticContact CD1-CE2 3.83Å; Y39-W43 HydrophobicContact CD1-CH2 4.45Å; Y39-W43 AromaticContact CD1-CZ2 3.5Å; Y39-W43 HydrophobicContact CD1-CZ2 3.5Å; Y39-W43 VanDerWaalsContact CD1-CZ2 3.5Å; Y39-W43 AromaticContact CD1-NE1 3.84Å; Y39-W43 AromaticContact CE1-CE2 3.68Å; Y39-W43 AromaticContact CE1-CZ2 3.81Å; Y39-W43 HydrophobicContact CE1-CZ2 3.81Å; Y39-W43 AromaticContact CE1-NE1 3.5Å; Y39-W43 HydrophobicContact CG-CZ2 4.44Å; Y39-E48 HydrophobicContact CD1-CG 4.23Å; Y39-E48 HydrophobicContact CD2-CG 4.14Å; Y39-E48 HydrophobicContact CE1-CB 4.27Å; Y39-E48 HydrophobicContact CE1-CG 4Å; Y39-E48 HydrophobicContact CE2-CB 3.85Å; Y39-E48 HydrophobicContact CE2-CG 3.89Å; Y39-E48 HydrophobicContact CG-CG 4.29Å; Y39-L50 PolarHBondContact OH-O 2.91Å; Y39-V52 CarbonylContact C-O 3.57Å; Y39-V52 WeakPolarHBondContact CA-O 3.36Å; Y39-W65 HydrophobicContact CD2-CZ2 4.05Å; Y39-W65 AromaticContact CE2-CD1 3.77Å; Y39-W65 HydrophobicContact CE2-CD2 4.08Å; Y39-W65 AromaticContact CE2-CE2 3.71Å; Y39-W65 HydrophobicContact CE2-CG 4.1Å; Y39-W65 HydrophobicContact CE2-CZ2 4.21Å; Y39-W65 AromaticContact CE2-NE1 3.54Å
40S97.6Very high92.2Very high0 Ų035.2 Ų35.20%022%0.219CC..EExtended strand (participates in β ladder)trans-133.2125.5171.2-69.90000109.3E38 G51 V52 A406 K410E38-S40 PolarHBondContact OE1-OG 3.31Å; S40-G51 WeakPolarHBondContact O-CA 3.34Å; S40-V52 PolarHBondContact N-O 2.84Å; S40-V52 PolarHBondContact O-N 2.81Å; S40-A406 VanDerWaalsContact O-CB 3.26Å; S40-A406 WeakPolarHBondContact O-CB 3.35Å; S40-K410 WeakPolarHBondContact OG-CE 3.46Å
41G97.6Very high92.3Very high0 Ų034.3 Ų34.30%021%0.213CC..EExtended strand (participates in β ladder)trans161.7-152.7178.300000115.1Y27 G28Y27-G41 WeakPolarHBondContact CA-O 3.36Å; G28-G41 PolarHBondContact N-O 2.97Å; G28-G41 PolarHBondContact O-N 2.87Å
42C97.5Very high92.6Very high22 Ų2233.6 Ų33.615%0.14921%0.209CC..EExtended strand (participates in β ladder)trans-85.5134.9-177.1-62.30000113.1G26 Y27 Y39 S49 L50G26-C42 CarbonylContact O-C 3.2Å; G26-C42 VanDerWaalsContact O-CA 3.25Å; G26-C42 WeakPolarHBondContact O-CA 3.29Å; Y27-C42 WeakPolarHBondContact CE1-SG 3.49Å; Y39-C42 PolarHBondContact OH-O 3.19Å; Y39-C42 VanDerWaalsContact OH-O 3.11Å; C42-S49 VanDerWaalsContact CB-OG 3.31Å; C42-S49 WeakPolarHBondContact CB-OG 3.21Å; C42-S49 PolarHBondContact O-N 3.48Å; C42-S49 PolarHBondContact O-OG 2.95Å; C42-L50 HydrophobicContact CB-CB 4.26Å; C42-L50 WeakPolarHBondContact CB-O 3.25Å; C42-L50 PolarHBondContact N-O 3.18Å
43W95.6Very high93.1Very high7 Ų735.7 Ų35.73%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-118.3139.7177.1-64.481.4000110.8Y15 A24 H25 G26 G28 C30 Y39 F47 E48 L197Y15-W43 HydrophobicContact CD2-CZ2 4.1Å; Y15-W43 AromaticContact CE2-CD1 3.97Å; Y15-W43 AromaticContact CE2-CD2 3.94Å; Y15-W43 HydrophobicContact CE2-CD2 3.94Å; Y15-W43 AromaticContact CE2-CE2 3.64Å; Y15-W43 HydrophobicContact CE2-CG 4.16Å; Y15-W43 HydrophobicContact CE2-CZ2 4.08Å; Y15-W43 AromaticContact CE2-NE1 3.65Å; A24-W43 HydrophobicContact CB-CB 4.37Å; A24-W43 HydrophobicContact CB-CD2 4.16Å; A24-W43 HydrophobicContact CB-CE3 3.87Å; A24-W43 HydrophobicContact CB-CG 4.38Å; H25-W43 CarbonylContact C-O 3.56Å; H25-W43 WeakPolarHBondContact CA-O 3.28Å; G26-W43 PolarHBondContact N-O 3.29Å; G26-W43 PolarHBondContact O-N 3.24Å; G28-W43 PolarHBondContact O-NE1 2.83Å; C30-W43 HydrophobicContact CB-CH2 3.94Å; C30-W43 HydrophobicContact CB-CZ2 3.57Å; Y39-W43 AromaticContact CD1-CE2 3.83Å; Y39-W43 HydrophobicContact CD1-CH2 4.45Å; Y39-W43 AromaticContact CD1-CZ2 3.5Å; Y39-W43 HydrophobicContact CD1-CZ2 3.5Å; Y39-W43 VanDerWaalsContact CD1-CZ2 3.5Å; Y39-W43 AromaticContact CD1-NE1 3.84Å; Y39-W43 AromaticContact CE1-CE2 3.68Å; Y39-W43 AromaticContact CE1-CZ2 3.81Å; Y39-W43 HydrophobicContact CE1-CZ2 3.81Å; Y39-W43 AromaticContact CE1-NE1 3.5Å; Y39-W43 HydrophobicContact CG-CZ2 4.44Å; W43-F47 CarbonylContact C-O 3.54Å; W43-F47 VanDerWaalsContact CA-O 3.28Å; W43-F47 WeakPolarHBondContact CA-O 3.45Å; W43-E48 HydrophobicContact CE3-CG 4.4Å; W43-E48 HydrophobicContact CH2-CG 3.79Å; W43-E48 HydrophobicContact CZ2-CG 4.17Å; W43-E48 HydrophobicContact CZ3-CG 3.92Å; W43-L197 HydrophobicContact CE3-CD1 4.3Å; W43-L197 HydrophobicContact CH2-CD1 3.83Å; W43-L197 HydrophobicContact CZ3-CD1 3.61Å; W43-L197 HydrophobicContact CZ3-CG 4.36Å
44A94Very high93.6Very high38 Ų3836.2 Ų36.231%0.31422%0.215SC..EExtended strand (participates in β ladder)trans-138.2122.9174.200000109.8G46 F47A44-G46 PolarHBondContact O-N 3.18Å; A44-G46 VanDerWaalsContact O-N 3.1Å; A44-F47 PolarHBondContact N-O 2.9Å; A44-F47 PolarHBondContact O-N 3.33Å
45H91.6Very high93.9Very high117 Ų11734.1 Ų34.154%0.54219%0.193SC..THydrogen-bonded Turntrans50.432.9178.6-52.2-62.3000115.3R23R23-H45 WeakPolarHBondContact CD-O 3.37Å
46G92.3Very high94.1Very high1 Ų133.9 Ų33.91%0.0119%0.186CC..THydrogen-bonded Turntrans94.70.9-179.100000115.7A24 A44A24-G46 WeakPolarHBondContact O-CA 3.2Å; A24-G46 PolarHBondContact O-N 3.33Å; A44-G46 PolarHBondContact O-N 3.18Å; A44-G46 VanDerWaalsContact O-N 3.1Å
47F93Very high94Very high54 Ų5433.6 Ų33.624%0.23721%0.205CC..EExtended strand (participates in β ladder)trans-121.3151.2-178.1-61.7-70.8000113.4W43 A44 Q67 V196W43-F47 CarbonylContact C-O 3.54Å; W43-F47 VanDerWaalsContact CA-O 3.28Å; W43-F47 WeakPolarHBondContact CA-O 3.45Å; A44-F47 PolarHBondContact N-O 2.9Å; A44-F47 PolarHBondContact O-N 3.33Å; F47-Q67 HydrophobicContact CD1-CB 4.4Å; F47-Q67 HydrophobicContact CD1-CG 4.34Å; F47-Q67 HydrophobicContact CE1-CB 4.4Å; F47-Q67 HydrophobicContact CE1-CG 4.24Å; F47-V196 HydrophobicContact CE1-CG2 4.21Å; F47-V196 HydrophobicContact CE2-CG2 3.71Å; F47-V196 HydrophobicContact CZ-CG2 3.43Å; F47-V196 VanDerWaalsContact CZ-CG2 3.43Å
48E95.1Very high93.8Very high40 Ų4035.6 Ų35.619%0.18723%0.225CC..EExtended strand (participates in β ladder)trans-67.7141.1171.5-48.486.4166.500111.1Y39 W43 W65 G68Y39-E48 HydrophobicContact CD1-CG 4.23Å; Y39-E48 HydrophobicContact CD2-CG 4.14Å; Y39-E48 HydrophobicContact CE1-CB 4.27Å; Y39-E48 HydrophobicContact CE1-CG 4Å; Y39-E48 HydrophobicContact CE2-CB 3.85Å; Y39-E48 HydrophobicContact CE2-CG 3.89Å; Y39-E48 HydrophobicContact CG-CG 4.29Å; W43-E48 HydrophobicContact CE3-CG 4.4Å; W43-E48 HydrophobicContact CH2-CG 3.79Å; W43-E48 HydrophobicContact CZ2-CG 4.17Å; W43-E48 HydrophobicContact CZ3-CG 3.92Å; E48-W65 HydrophobicContact CB-CB 3.65Å; E48-W65 HydrophobicContact CB-CD2 4.48Å; E48-W65 HydrophobicContact CB-CG 4.01Å; E48-W65 CarbonylContact O-C 3.47Å; E48-G68 WeakPolarHBondContact OE2-CA 3.36Å; E48-G68 PolarHBondContact OE2-N 3.47Å
49S96.3Very high93.6Very high41 Ų4136.4 Ų36.429%0.28723%0.229SC..EExtended strand (participates in β ladder)trans-129.2-40-179.857.20000114.2C42 H64 W65C42-S49 VanDerWaalsContact CB-OG 3.31Å; C42-S49 WeakPolarHBondContact CB-OG 3.21Å; C42-S49 PolarHBondContact O-N 3.48Å; C42-S49 PolarHBondContact O-OG 2.95Å; S49-H64 WeakPolarHBondContact O-CA 3.32Å; S49-W65 PolarHBondContact O-N 3.1Å
50L98.3Very high93.6Very high31 Ų3136.6 Ų36.616%0.16223%0.232CC..EExtended strand (participates in β ladder)trans-154.1118179.317872.8000109.2Y39 C42 V398 K401 A402Y39-L50 PolarHBondContact OH-O 2.91Å; C42-L50 HydrophobicContact CB-CB 4.26Å; C42-L50 WeakPolarHBondContact CB-O 3.25Å; C42-L50 PolarHBondContact N-O 3.18Å; L50-V398 HydrophobicContact CD1-CG1 4.01Å; L50-K401 HydrophobicContact CD2-CB 4.1Å; L50-A402 HydrophobicContact CD1-CB 3.88Å; L50-A402 HydrophobicContact CG-CB 4.17Å
51G97.8Very high93.6Very high0 Ų036.8 Ų36.80%023%0.232CC..EExtended strand (participates in β ladder)trans178.7179.5-177.400000114.9S40 G63 W65S40-G51 WeakPolarHBondContact O-CA 3.34Å; G51-G63 PolarHBondContact N-O 2.84Å; G51-G63 PolarHBondContact O-N 2.8Å; G51-W65 PolarHBondContact O-NE1 2.78Å
52V98.4Very high93.6Very high13 Ų1338.2 Ų38.28%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-105.3126.4179.3-179.50000109.5Y39 S40 Y61 Q62 A402 V403 A406Y39-V52 CarbonylContact C-O 3.57Å; Y39-V52 WeakPolarHBondContact CA-O 3.36Å; S40-V52 PolarHBondContact N-O 2.84Å; S40-V52 PolarHBondContact O-N 2.81Å; V52-Y61 CarbonylContact C-O 3.17Å; V52-Y61 WeakPolarHBondContact CA-O 3.37Å; V52-Q62 HydrophobicContact CB-CG 4.46Å; V52-Q62 HydrophobicContact CG1-CG 4Å; V52-Q62 HydrophobicContact CG2-CB 4.31Å; V52-Q62 HydrophobicContact CG2-CG 3.91Å; V52-A402 HydrophobicContact CG2-CB 4.44Å; V52-V403 HydrophobicContact CG2-CB 4.46Å; V52-V403 HydrophobicContact CG2-CG2 3.84Å; V52-A406 HydrophobicContact CB-CB 3.93Å; V52-A406 HydrophobicContact CG2-CB 3.74Å
53F97.1Very high93.6Very high64 Ų6437.2 Ų37.228%0.28123%0.232SC..EExtended strand (participates in β ladder)trans-102.6132.3162.2175.6-101000109.8E38 H59 S60 Y61 W65E38-F53 CarbonylContact O-C 3.56Å; E38-F53 VanDerWaalsContact O-CA 3.32Å; E38-F53 WeakPolarHBondContact O-CA 3.35Å; F53-H59 AromaticContact CE1-NE2 3.84Å; F53-S60 CarbonylContact O-C 3.57Å; F53-S60 WeakPolarHBondContact O-CA 3.39Å; F53-S60 WeakPolarHBondContact O-CB 3.47Å; F53-Y61 PolarHBondContact N-O 2.99Å; F53-Y61 PolarHBondContact O-N 2.85Å; F53-W65 HydrophobicContact CB-CH2 3.48Å; F53-W65 VanDerWaalsContact CB-CH2 3.48Å; F53-W65 HydrophobicContact CB-CZ2 3.37Å; F53-W65 HydrophobicContact CG-CH2 4.09Å; F53-W65 HydrophobicContact CG-CZ2 4.43Å
54T95.4Very high93.8Very high61 Ų6140.2 Ų40.237%0.37425%0.246SC..EExtended strand (participates in β ladder)trans-120.8113.4172.5-53.90000108.2G37 E38G37-T54 CarbonylContact C-O 3.59Å; G37-T54 VanDerWaalsContact CA-O 3.23Å; G37-T54 WeakPolarHBondContact CA-O 3.48Å; E38-T54 PolarHBondContact N-O 2.88Å; E38-T54 PolarHBondContact O-N 3.04Å
55G89.1Confident93.9Very high6 Ų639.9 Ų39.96%0.06224%0.237CC..  trans-98170.9-178.900000113.5G57 G58 H59G55-G57 PolarHBondContact O-N 3.11Å; G55-G58 PolarHBondContact O-N 3.24Å; G55-H59 PolarHBondContact N-O 3.05Å
56P83.7Confident94Very high62 Ų6239.4 Ų39.440%0.40324%0.235SC..G310 helixtrans-53.1138.3175.1-23.532000112.1Q36 G58 H59Q36-P56 HydrophobicContact CB-CG 4.31Å; P56-G58 VanDerWaalsContact C-N 3.35Å; P56-H59 PolarHBondContact O-CE1 3.37Å; P56-H59 VanDerWaalsContact O-CE1 3.27Å; P56-H59 PolarHBondContact O-ND1 2.75Å
57G82Confident93.9Very high74 Ų7445 Ų4576%0.76326%0.261SS*.G310 helixtrans77.313.7-177.300000115.3G55 H59G55-G57 PolarHBondContact O-N 3.11Å; G57-H59 VanDerWaalsContact C-N 3.35Å; G57-H59 PolarHBondContact O-N 3.18Å
58G85.2Confident93.7Very high55 Ų5543.6 Ų43.657%0.56726%0.262SS*.G310 helixtrans76.616.7168.500000115.1G55 P56G55-G58 PolarHBondContact O-N 3.24Å; P56-G58 VanDerWaalsContact C-N 3.35Å
59H91.1Very high93.6Very high67 Ų6747.1 Ų47.131%0.3128%0.277SS..  trans-75.3142.2165.669.7-88.1000109.5F53 G55 P56 G57 R77 K78F53-H59 AromaticContact CE1-NE2 3.84Å; G55-H59 PolarHBondContact N-O 3.05Å; P56-H59 PolarHBondContact O-CE1 3.37Å; P56-H59 VanDerWaalsContact O-CE1 3.27Å; P56-H59 PolarHBondContact O-ND1 2.75Å; G57-H59 VanDerWaalsContact C-N 3.35Å; G57-H59 PolarHBondContact O-N 3.18Å; H59-R77 WeakPolarHBondContact CA-O 3.37Å; H59-K78 HydrophobicContact CB-CG 4.25Å
60S96.1Very high93.6Very high16 Ų1648.3 Ų48.311%0.11228%0.275CS..EExtended strand (participates in β ladder)trans-141.1151.9-177.660.60000112.5F53 E76 R77F53-S60 CarbonylContact O-C 3.57Å; F53-S60 WeakPolarHBondContact O-CA 3.39Å; F53-S60 WeakPolarHBondContact O-CB 3.47Å; S60-E76 CarbonylContact O-C 3.55Å; S60-E76 WeakPolarHBondContact O-CA 3.48Å; S60-R77 PolarHBondContact N-O 3.41Å; S60-R77 PolarHBondContact O-N 3.35Å
61Y97.8Very high93.5Very high3 Ų348.7 Ų48.71%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-126.6137.1167.4173-91.7000109.3V52 F53 H64 W65 R70 E71 V75 E76 W87V52-Y61 CarbonylContact C-O 3.17Å; V52-Y61 WeakPolarHBondContact CA-O 3.37Å; F53-Y61 PolarHBondContact N-O 2.99Å; F53-Y61 PolarHBondContact O-N 2.85Å; Y61-H64 WeakPolarHBondContact CE1-O 3.13Å; Y61-H64 PolarHBondContact OH-O 3.28Å; Y61-W65 HydrophobicContact CD1-CD2 4.45Å; Y61-W65 AromaticContact CD1-CE2 3.52Å; Y61-W65 HydrophobicContact CD1-CH2 4.08Å; Y61-W65 AromaticContact CD1-CZ2 3.32Å; Y61-W65 HydrophobicContact CD1-CZ2 3.32Å; Y61-W65 AromaticContact CD1-NE1 3.68Å; Y61-W65 HydrophobicContact CE1-CD2 4.2Å; Y61-W65 AromaticContact CE1-CE2 3.61Å; Y61-W65 AromaticContact CE1-CZ2 3.91Å; Y61-W65 HydrophobicContact CE1-CZ2 3.91Å; Y61-W65 AromaticContact CE1-NE1 3.53Å; Y61-W65 HydrophobicContact CG-CZ2 4.28Å; Y61-R70 HydrophobicContact CD1-CG 3.92Å; Y61-R70 HydrophobicContact CD2-CB 4.46Å; Y61-R70 VanDerWaalsContact CD2-CD 3.44Å; Y61-R70 HydrophobicContact CD2-CG 3.94Å; Y61-R70 HydrophobicContact CE1-CB 4.19Å; Y61-R70 HydrophobicContact CE1-CG 3.87Å; Y61-R70 HydrophobicContact CE2-CB 3.94Å; Y61-R70 HydrophobicContact CE2-CG 3.9Å; Y61-R70 HydrophobicContact CG-CG 3.91Å; Y61-E71 PolarHBondContact OH-O 3.04Å; Y61-V75 CarbonylContact C-O 3.58Å; Y61-V75 WeakPolarHBondContact CA-O 3.32Å; Y61-E76 HydrophobicContact CD2-CB 4.35Å; Y61-W87 HydrophobicContact CD2-CZ2 4.15Å; Y61-W87 AromaticContact CE2-CD1 3.8Å; Y61-W87 AromaticContact CE2-CD2 3.88Å; Y61-W87 HydrophobicContact CE2-CD2 3.88Å; Y61-W87 AromaticContact CE2-CE2 3.59Å; Y61-W87 HydrophobicContact CE2-CG 4.02Å; Y61-W87 HydrophobicContact CE2-CZ2 4.1Å; Y61-W87 AromaticContact CE2-NE1 3.54Å
62Q98.4Very high93.5Very high31 Ų3150.2 Ų50.215%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-131.9110.9-178.5-56.2178-10.200107.6V52 G74 V75 A399 V403V52-Q62 HydrophobicContact CB-CG 4.46Å; V52-Q62 HydrophobicContact CG1-CG 4Å; V52-Q62 HydrophobicContact CG2-CB 4.31Å; V52-Q62 HydrophobicContact CG2-CG 3.91Å; Q62-G74 CarbonylContact O-C 3.52Å; Q62-G74 VanDerWaalsContact O-CA 3.29Å; Q62-G74 WeakPolarHBondContact O-CA 3.11Å; Q62-V75 PolarHBondContact N-O 2.89Å; Q62-V75 PolarHBondContact O-N 2.92Å; Q62-A399 HydrophobicContact CB-CB 3.68Å; Q62-V403 HydrophobicContact CG-CG2 4.4Å
63G98.3Very high93.5Very high0 Ų051.2 Ų51.20%030%0.296CS..EExtended strand (participates in β ladder)trans164-155179.900000114.7G51 W65 L73G51-G63 PolarHBondContact N-O 2.84Å; G51-G63 PolarHBondContact O-N 2.8Å; G63-W65 PolarHBondContact O-NE1 3.18Å; G63-L73 WeakPolarHBondContact CA-O 3.39Å
64H98.4Very high93.5Very high70 Ų7048.2 Ų48.232%0.32428%0.283SS..EExtended strand (participates in β ladder)trans-77.2151.6178.2-71.5-62.9000112.6S49 Y61 E71 L73 V398S49-H64 WeakPolarHBondContact O-CA 3.32Å; Y61-H64 WeakPolarHBondContact CE1-O 3.13Å; Y61-H64 PolarHBondContact OH-O 3.28Å; H64-E71 CarbonylContact C-O 3.57Å; H64-E71 WeakPolarHBondContact CB-O 3.44Å; H64-E71 PolarHBondContact O-N 3.1Å; H64-L73 PolarHBondContact N-O 3.02Å; H64-V398 VanDerWaalsContact CD2-CG1 3.42Å; H64-V398 WeakPolarHBondContact CD2-CG1 3.16Å; H64-V398 WeakPolarHBondContact NE2-CG1 3.44Å
65W97Very high93.7Very high31 Ų3145.3 Ų45.312%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-136.1153.4-178.9-64.682.3000110.5Y39 E48 S49 G51 F53 Y61 G63 K69 R70Y39-W65 HydrophobicContact CD2-CZ2 4.05Å; Y39-W65 AromaticContact CE2-CD1 3.77Å; Y39-W65 HydrophobicContact CE2-CD2 4.08Å; Y39-W65 AromaticContact CE2-CE2 3.71Å; Y39-W65 HydrophobicContact CE2-CG 4.1Å; Y39-W65 HydrophobicContact CE2-CZ2 4.21Å; Y39-W65 AromaticContact CE2-NE1 3.54Å; E48-W65 HydrophobicContact CB-CB 3.65Å; E48-W65 HydrophobicContact CB-CD2 4.48Å; E48-W65 HydrophobicContact CB-CG 4.01Å; E48-W65 CarbonylContact O-C 3.47Å; S49-W65 PolarHBondContact O-N 3.1Å; G51-W65 PolarHBondContact O-NE1 2.78Å; F53-W65 HydrophobicContact CB-CH2 3.48Å; F53-W65 VanDerWaalsContact CB-CH2 3.48Å; F53-W65 HydrophobicContact CB-CZ2 3.37Å; F53-W65 HydrophobicContact CG-CH2 4.09Å; F53-W65 HydrophobicContact CG-CZ2 4.43Å; Y61-W65 HydrophobicContact CD1-CD2 4.45Å; Y61-W65 AromaticContact CD1-CE2 3.52Å; Y61-W65 HydrophobicContact CD1-CH2 4.08Å; Y61-W65 AromaticContact CD1-CZ2 3.32Å; Y61-W65 HydrophobicContact CD1-CZ2 3.32Å; Y61-W65 AromaticContact CD1-NE1 3.68Å; Y61-W65 HydrophobicContact CE1-CD2 4.2Å; Y61-W65 AromaticContact CE1-CE2 3.61Å; Y61-W65 AromaticContact CE1-CZ2 3.91Å; Y61-W65 HydrophobicContact CE1-CZ2 3.91Å; Y61-W65 AromaticContact CE1-NE1 3.53Å; Y61-W65 HydrophobicContact CG-CZ2 4.28Å; G63-W65 PolarHBondContact O-NE1 3.18Å; W65-K69 CarbonylContact C-O 3.59Å; W65-K69 WeakPolarHBondContact CA-O 3.42Å; W65-R70 HydrophobicContact CE3-CG 4.48Å; W65-R70 HydrophobicContact CH2-CG 4.28Å; W65-R70 HydrophobicContact CZ3-CG 4.13Å
66Q94Very high94.1Very high108 Ų10845.5 Ų45.551%0.50527%0.265SS..EExtended strand (participates in β ladder)trans-150.9120.2171.7-174.3172.282.900109.1G68 K69 E71Q66-G68 PolarHBondContact O-N 3.27Å; Q66-K69 PolarHBondContact N-O 2.9Å; Q66-K69 WeakPolarHBondContact O-CB 3.27Å; Q66-K69 PolarHBondContact O-N 2.84Å; Q66-E71 HydrophobicContact CB-CB 3.77Å; Q66-E71 HydrophobicContact CB-CG 3.83Å
67Q90.3Very high94.7Very high118 Ų11847 Ų4755%0.55126%0.262SS*.THydrogen-bonded Turntrans52.348.5175.8-57.4175.49.900113.7F47 K69F47-Q67 HydrophobicContact CD1-CB 4.4Å; F47-Q67 HydrophobicContact CD1-CG 4.34Å; F47-Q67 HydrophobicContact CE1-CB 4.4Å; F47-Q67 HydrophobicContact CE1-CG 4.24Å; Q67-K69 PolarHBondContact O-N 3.4Å
68G88.6Confident95.2Very high25 Ų2546.9 Ų46.926%0.25824%0.241SC..THydrogen-bonded Turntrans71.52.4-176.400000115.7E48 Q66E48-G68 WeakPolarHBondContact OE2-CA 3.36Å; E48-G68 PolarHBondContact OE2-N 3.47Å; Q66-G68 PolarHBondContact O-N 3.27Å
69K93.6Very high95.5Very high114 Ų11449.1 Ų49.150%0.49625%0.247SC..EExtended strand (participates in β ladder)trans-109.5150.5178.9-62.4179.3-176.7176.60111.7W65 Q66 Q67W65-K69 CarbonylContact C-O 3.59Å; W65-K69 WeakPolarHBondContact CA-O 3.42Å; Q66-K69 PolarHBondContact N-O 2.9Å; Q66-K69 WeakPolarHBondContact O-CB 3.27Å; Q66-K69 PolarHBondContact O-N 2.84Å; Q67-K69 PolarHBondContact O-N 3.4Å
70R95.6Very high95.5Very high65 Ų6553.4 Ų53.425%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-71.4126.3170.2-58.7174.2-69.8-164.33.5109.1Y61 W65 E76 W87 G90Y61-R70 HydrophobicContact CD1-CG 3.92Å; Y61-R70 HydrophobicContact CD2-CB 4.46Å; Y61-R70 VanDerWaalsContact CD2-CD 3.44Å; Y61-R70 HydrophobicContact CD2-CG 3.94Å; Y61-R70 HydrophobicContact CE1-CB 4.19Å; Y61-R70 HydrophobicContact CE1-CG 3.87Å; Y61-R70 HydrophobicContact CE2-CB 3.94Å; Y61-R70 HydrophobicContact CE2-CG 3.9Å; Y61-R70 HydrophobicContact CG-CG 3.91Å; W65-R70 HydrophobicContact CE3-CG 4.48Å; W65-R70 HydrophobicContact CH2-CG 4.28Å; W65-R70 HydrophobicContact CZ3-CG 4.13Å; R70-E76 IonicContact CZ-OE1 3.67Å; R70-E76 IonicContact NH1-OE1 3.06Å; R70-E76 PolarHBondContact NH1-OE1 3.48Å; R70-E76 IonicContact NH1-OE2 2.85Å; R70-W87 HydrophobicContact CB-CB 4.41Å; R70-W87 HydrophobicContact CB-CD2 4.12Å; R70-W87 HydrophobicContact CB-CE3 3.8Å; R70-W87 HydrophobicContact CB-CG 4.38Å; R70-W87 HydrophobicContact CB-CZ3 4.49Å; R70-W87 VanDerWaalsContact NE-CZ3 3.34Å; R70-G90 PolarHBondContact NE-O 2.89Å; R70-G90 PolarHBondContact NH2-O 2.82Å; R70-G90 WeakPolarHBondContact O-CA 3.46Å; R70-G90 PolarHBondContact O-N 3.15Å
71E95.8Very high95.4Very high39 Ų3953.2 Ų53.218%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-143.7160.5-170.6-169.252.9-132.700110Y61 H64 Q66 L73 W87 L88 G89Y61-E71 PolarHBondContact OH-O 3.04Å; H64-E71 CarbonylContact C-O 3.57Å; H64-E71 WeakPolarHBondContact CB-O 3.44Å; H64-E71 PolarHBondContact O-N 3.1Å; Q66-E71 HydrophobicContact CB-CB 3.77Å; Q66-E71 HydrophobicContact CB-CG 3.83Å; E71-L73 PolarHBondContact O-N 2.76Å; E71-W87 CarbonylContact C-O 3.35Å; E71-L88 WeakPolarHBondContact OE1-CD1 3.26Å; E71-L88 WeakPolarHBondContact OE2-CA 3.39Å; E71-G89 PolarHBondContact OE2-N 3Å
72G97.6Very high95.4Very high33 Ų3354.4 Ų54.434%0.3427%0.265SS..EExtended strand (participates in β ladder)trans67.7-115.4172.700000113.9E86 W87G72-E86 CarbonylContact O-C 3.55Å; G72-E86 VanDerWaalsContact O-CA 3.25Å; G72-E86 WeakPolarHBondContact O-CA 3.39Å; G72-W87 PolarHBondContact N-O 2.67Å; G72-W87 PolarHBondContact O-N 3.11Å
73L98.6Very high95.3Very high34 Ų3452.9 Ų52.918%0.17826%0.258CS..EExtended strand (participates in β ladder)trans-118.7140-179.6-69175000110.8G63 H64 E71 E86 K391 A394 A395 V398G63-L73 WeakPolarHBondContact CA-O 3.39Å; H64-L73 PolarHBondContact N-O 3.02Å; E71-L73 PolarHBondContact O-N 2.76Å; L73-E86 HydrophobicContact CD2-CG 3.99Å; L73-K391 HydrophobicContact CD2-CD 4.24Å; L73-A394 HydrophobicContact CD1-CB 3.84Å; L73-A395 HydrophobicContact CB-CB 4.28Å; L73-A395 HydrophobicContact CD2-CB 4.41Å; L73-V398 HydrophobicContact CB-CB 4.34Å; L73-V398 HydrophobicContact CB-CG1 4.34Å; L73-V398 HydrophobicContact CB-CG2 4.17Å; L73-V398 HydrophobicContact CD1-CG2 4.18Å; L73-V398 WeakPolarHBondContact O-CG1 3.41Å
74G98.1Very high95.3Very high0 Ų056.9 Ų56.90%027%0.273CS..EExtended strand (participates in β ladder)trans-176.1166.8177.700000115.1Q62 G85 W87Q62-G74 CarbonylContact O-C 3.52Å; Q62-G74 VanDerWaalsContact O-CA 3.29Å; Q62-G74 WeakPolarHBondContact O-CA 3.11Å; G74-G85 PolarHBondContact N-O 3.03Å; G74-G85 VanDerWaalsContact N-O 3.09Å; G74-G85 PolarHBondContact O-N 2.8Å; G74-W87 PolarHBondContact O-NE1 2.97Å
75V98.6Very high95.3Very high0 Ų053.5 Ų53.50%026%0.258CS..EExtended strand (participates in β ladder)trans-116.3120.5-179.9175.60000109.6Y61 Q62 R77 T82 Y83 R84 A395 A399Y61-V75 CarbonylContact C-O 3.58Å; Y61-V75 WeakPolarHBondContact CA-O 3.32Å; Q62-V75 PolarHBondContact N-O 2.89Å; Q62-V75 PolarHBondContact O-N 2.92Å; V75-R77 HydrophobicContact CG1-CG 4.1Å; V75-T82 HydrophobicContact CG1-CG2 3.93Å; V75-Y83 CarbonylContact C-O 3.49Å; V75-Y83 VanDerWaalsContact CA-O 3.3Å; V75-Y83 WeakPolarHBondContact CA-O 3.41Å; V75-R84 HydrophobicContact CG1-CG 4.13Å; V75-R84 HydrophobicContact CG2-CB 4.05Å; V75-R84 HydrophobicContact CG2-CG 3.95Å; V75-A395 HydrophobicContact CG2-CB 4.39Å; V75-A399 HydrophobicContact CB-CB 3.99Å; V75-A399 HydrophobicContact CG2-CB 3.77Å
76E97.4Very high95.4Very high10 Ų1053.3 Ų53.35%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-101.7127169.7-177.6-177.7-142.400109.1S60 Y61 R70 K78 W81 T82 Y83 W87S60-E76 CarbonylContact O-C 3.55Å; S60-E76 WeakPolarHBondContact O-CA 3.48Å; Y61-E76 HydrophobicContact CD2-CB 4.35Å; R70-E76 IonicContact CZ-OE1 3.67Å; R70-E76 IonicContact NH1-OE1 3.06Å; R70-E76 PolarHBondContact NH1-OE1 3.48Å; R70-E76 IonicContact NH1-OE2 2.85Å; E76-K78 HydrophobicContact CG-CG 4.33Å; E76-K78 WeakPolarHBondContact OE1-CE 3.25Å; E76-K78 IonicContact OE1-NZ 3.96Å; E76-K78 PolarHBondContact OE1-NZ 2.91Å; E76-W81 HydrophobicContact CG-CZ3 4.2Å; E76-W81 WeakPolarHBondContact OE2-CH2 3.28Å; E76-W81 WeakPolarHBondContact OE2-CZ3 3.09Å; E76-T82 CarbonylContact O-C 3.58Å; E76-T82 VanDerWaalsContact O-CA 3.31Å; E76-T82 WeakPolarHBondContact O-CA 2.84Å; E76-Y83 PolarHBondContact N-O 3.03Å; E76-Y83 PolarHBondContact O-N 3.12Å; E76-W87 HydrophobicContact CB-CH2 4Å; E76-W87 HydrophobicContact CB-CZ2 3.61Å; E76-W87 WeakPolarHBondContact OE2-CH2 3.38Å
77R96.4Very high95.5Very high95 Ų9548.5 Ų48.536%0.35824%0.236SC..EExtended strand (participates in β ladder)trans-114.7126.2172.6-63.9-175179.884.7-7.1109.6H59 S60 V75 T82H59-R77 WeakPolarHBondContact CA-O 3.37Å; S60-R77 PolarHBondContact N-O 3.41Å; S60-R77 PolarHBondContact O-N 3.35Å; V75-R77 HydrophobicContact CG1-CG 4.1Å; R77-T82 HydrophobicContact CG-CG2 4Å
78K93.5Very high95.7Very high71 Ų7148.2 Ų48.231%0.30924%0.237SC..EExtended strand (participates in β ladder)trans-123.1164.5168.8-55.3-161.4-170.5-178.90109.6H59 E76 R80 W81H59-K78 HydrophobicContact CB-CG 4.25Å; E76-K78 HydrophobicContact CG-CG 4.33Å; E76-K78 WeakPolarHBondContact OE1-CE 3.25Å; E76-K78 IonicContact OE1-NZ 3.96Å; E76-K78 PolarHBondContact OE1-NZ 2.91Å; K78-R80 PolarHBondContact O-N 3.34Å; K78-W81 HydrophobicContact CB-CD2 4.3Å; K78-W81 HydrophobicContact CD-CH2 3.77Å; K78-W81 HydrophobicContact CD-CZ2 3.54Å; K78-W81 HydrophobicContact CD-CZ3 4.36Å; K78-W81 VanDerWaalsContact CE-CH2 3.44Å; K78-W81 HydrophobicContact CG-CD2 4.45Å; K78-W81 HydrophobicContact CG-CE3 4.4Å; K78-W81 HydrophobicContact CG-CH2 4.15Å; K78-W81 HydrophobicContact CG-CZ2 4.18Å; K78-W81 HydrophobicContact CG-CZ3 4.24Å; K78-W81 PolarHBondContact N-O 2.92Å; K78-W81 PolarHBondContact O-N 3.19Å; K78-W81 VanDerWaalsContact O-N 3.15Å
79S90.4Very high95.9Very high101 Ų10149 Ų4971%0.70625%0.245SC*.THydrogen-bonded Turntrans-57.7-16.3-173.7-28.20000115.4
80R90.9Very high95.9Very high158 Ų15844.3 Ų44.360%0.59623%0.229SC*.THydrogen-bonded Turntrans-119.1-12.1-179.5-57.5-167.8-58.7-149.44.8114.6K78 S100 V101 D169K78-R80 PolarHBondContact O-N 3.34Å; R80-S100 WeakPolarHBondContact O-CA 3.41Å; R80-V101 PolarHBondContact O-N 3.16Å; R80-D169 IonicContact NH2-OD1 3.67Å; R80-D169 PolarHBondContact NH2-OD1 2.82Å; R80-D169 IonicContact NH2-OD2 3.56Å; R80-D169 PolarHBondContact NH2-OD2 2.85Å
81W94.1Very high95.7Very high11 Ų1144.6 Ų44.64%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-163.4156.7-173.253.7-105.3000113.2E76 K78 W98 E99 D169E76-W81 HydrophobicContact CG-CZ3 4.2Å; E76-W81 WeakPolarHBondContact OE2-CH2 3.28Å; E76-W81 WeakPolarHBondContact OE2-CZ3 3.09Å; K78-W81 HydrophobicContact CB-CD2 4.3Å; K78-W81 HydrophobicContact CD-CH2 3.77Å; K78-W81 HydrophobicContact CD-CZ2 3.54Å; K78-W81 HydrophobicContact CD-CZ3 4.36Å; K78-W81 VanDerWaalsContact CE-CH2 3.44Å; K78-W81 HydrophobicContact CG-CD2 4.45Å; K78-W81 HydrophobicContact CG-CE3 4.4Å; K78-W81 HydrophobicContact CG-CH2 4.15Å; K78-W81 HydrophobicContact CG-CZ2 4.18Å; K78-W81 HydrophobicContact CG-CZ3 4.24Å; K78-W81 PolarHBondContact N-O 2.92Å; K78-W81 PolarHBondContact O-N 3.19Å; K78-W81 VanDerWaalsContact O-N 3.15Å; W81-W98 HydrophobicContact CB-CZ2 3.59Å; W81-W98 AromaticContact CD1-CZ2 3.91Å; W81-W98 AromaticContact CD1-NE1 3.99Å; W81-W98 AromaticContact CD2-NE1 3.33Å; W81-W98 VanDerWaalsContact CD2-NE1 3.33Å; W81-W98 AromaticContact CE2-NE1 3.93Å; W81-W98 AromaticContact CE3-CD1 3.85Å; W81-W98 AromaticContact CE3-NE1 3.52Å; W81-W98 AromaticContact CG-CE2 3.81Å; W81-W98 AromaticContact CG-CZ2 3.82Å; W81-W98 HydrophobicContact CG-CZ2 3.82Å; W81-W98 AromaticContact CG-NE1 3.38Å; W81-E99 CarbonylContact C-O 3.6Å; W81-E99 WeakPolarHBondContact CA-O 3.33Å; W81-E99 WeakPolarHBondContact CB-O 3.44Å; W81-D169 PolarHBondContact NE1-OD2 2.87Å
82T96.9Very high95.6Very high28 Ų2843.7 Ų43.717%0.17223%0.23CC..EExtended strand (participates in β ladder)trans-121.3138.3172.3-620000109.4V75 E76 R77 R84 W98 E99V75-T82 HydrophobicContact CG1-CG2 3.93Å; E76-T82 CarbonylContact O-C 3.58Å; E76-T82 VanDerWaalsContact O-CA 3.31Å; E76-T82 WeakPolarHBondContact O-CA 2.84Å; R77-T82 HydrophobicContact CG-CG2 4Å; T82-R84 HydrophobicContact CG2-CG 3.87Å; T82-W98 WeakPolarHBondContact O-CA 3.42Å; T82-E99 PolarHBondContact N-O 3.39Å; T82-E99 PolarHBondContact O-N 2.85Å
83Y97.9Very high95.4Very high0 Ų042.4 Ų42.40%022%0.217CC..EExtended strand (participates in β ladder)trans-114.7138.9166.1173.6-94.9000109.7V75 E76 E86 W87 K92 S95 V97 W98 W110V75-Y83 CarbonylContact C-O 3.49Å; V75-Y83 VanDerWaalsContact CA-O 3.3Å; V75-Y83 WeakPolarHBondContact CA-O 3.41Å; E76-Y83 PolarHBondContact N-O 3.03Å; E76-Y83 PolarHBondContact O-N 3.12Å; Y83-E86 WeakPolarHBondContact CE1-O 3.37Å; Y83-E86 PolarHBondContact OH-O 3.2Å; Y83-W87 AromaticContact CD1-CE2 3.68Å; Y83-W87 HydrophobicContact CD1-CH2 4.34Å; Y83-W87 AromaticContact CD1-CZ2 3.43Å; Y83-W87 HydrophobicContact CD1-CZ2 3.43Å; Y83-W87 VanDerWaalsContact CD1-CZ2 3.43Å; Y83-W87 AromaticContact CD1-NE1 3.69Å; Y83-W87 HydrophobicContact CE1-CD2 4.44Å; Y83-W87 AromaticContact CE1-CE2 3.64Å; Y83-W87 AromaticContact CE1-CZ2 3.84Å; Y83-W87 HydrophobicContact CE1-CZ2 3.84Å; Y83-W87 AromaticContact CE1-NE1 3.48Å; Y83-W87 HydrophobicContact CG-CZ2 4.44Å; Y83-K92 HydrophobicContact CD2-CD 3.86Å; Y83-K92 HydrophobicContact CD2-CG 4.46Å; Y83-K92 HydrophobicContact CE1-CB 4.41Å; Y83-K92 HydrophobicContact CE1-CG 4.24Å; Y83-K92 HydrophobicContact CE2-CB 4.38Å; Y83-K92 HydrophobicContact CE2-CD 3.78Å; Y83-K92 HydrophobicContact CE2-CG 4.22Å; Y83-K92 HydrophobicContact CG-CD 4.33Å; Y83-S95 PolarHBondContact OH-O 3.35Å; Y83-V97 CarbonylContact C-O 3.49Å; Y83-V97 WeakPolarHBondContact CA-O 3.35Å; Y83-V97 WeakPolarHBondContact CD2-O 3.17Å; Y83-W98 HydrophobicContact CD2-CB 4.29Å; Y83-W110 AromaticContact CD2-CZ2 3.99Å; Y83-W110 HydrophobicContact CD2-CZ2 3.99Å; Y83-W110 HydrophobicContact CE2-CD2 4.28Å; Y83-W110 AromaticContact CE2-CE2 3.7Å; Y83-W110 AromaticContact CE2-CZ2 3.89Å; Y83-W110 HydrophobicContact CE2-CZ2 3.89Å; Y83-W110 AromaticContact CE2-NE1 3.76Å
84R98.6Very high95.3Very high83 Ų8349.7 Ų49.731%0.31324%0.242SC..EExtended strand (participates in β ladder)trans-136.4121.2176.6-42.6-171-155.2-177.29.4108.7V75 T82 G96 V97 E99 A392V75-R84 HydrophobicContact CG1-CG 4.13Å; V75-R84 HydrophobicContact CG2-CB 4.05Å; V75-R84 HydrophobicContact CG2-CG 3.95Å; T82-R84 HydrophobicContact CG2-CG 3.87Å; R84-G96 WeakPolarHBondContact O-CA 3.39Å; R84-V97 PolarHBondContact N-O 3.01Å; R84-V97 PolarHBondContact O-N 3.36Å; R84-E99 IonicContact NH2-OE2 2.68Å; R84-E99 PolarHBondContact NH2-OE2 2.92Å; R84-A392 HydrophobicContact CB-CB 3.81Å
85G98.1Very high95.3Very high0 Ų050.1 Ų50.10%025%0.245CC..EExtended strand (participates in β ladder)trans158.7-148.517900000112.7G74G74-G85 PolarHBondContact N-O 3.03Å; G74-G85 VanDerWaalsContact N-O 3.09Å; G74-G85 PolarHBondContact O-N 2.8Å
86E98.1Very high95.3Very high27 Ų2750.1 Ų50.113%0.12625%0.245CC..EExtended strand (participates in β ladder)trans-77.7152.3-178.9-61.7-178.1146.600112.2G72 L73 Y83 G93 R94 S95 K391G72-E86 CarbonylContact O-C 3.55Å; G72-E86 VanDerWaalsContact O-CA 3.25Å; G72-E86 WeakPolarHBondContact O-CA 3.39Å; L73-E86 HydrophobicContact CD2-CG 3.99Å; Y83-E86 WeakPolarHBondContact CE1-O 3.37Å; Y83-E86 PolarHBondContact OH-O 3.2Å; E86-G93 PolarHBondContact O-N 3.05Å; E86-R94 PolarHBondContact OE2-N 2.87Å; E86-S95 WeakPolarHBondContact CB-O 3.33Å; E86-S95 PolarHBondContact N-O 3.43Å; E86-S95 PolarHBondContact OE2-N 2.77Å; E86-K391 HydrophobicContact CG-CD 3.94Å; E86-K391 HydrophobicContact CG-CG 4.43Å; E86-K391 WeakPolarHBondContact OE1-CE 3.34Å; E86-K391 IonicContact OE1-NZ 3.49Å; E86-K391 PolarHBondContact OE1-NZ 3.21Å
87W96.9Very high95.3Very high7 Ų749.8 Ų49.83%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-135.2143.1176.3-7186.4000109.3Y61 R70 E71 G72 G74 E76 Y83 L91 K92Y61-W87 HydrophobicContact CD2-CZ2 4.15Å; Y61-W87 AromaticContact CE2-CD1 3.8Å; Y61-W87 AromaticContact CE2-CD2 3.88Å; Y61-W87 HydrophobicContact CE2-CD2 3.88Å; Y61-W87 AromaticContact CE2-CE2 3.59Å; Y61-W87 HydrophobicContact CE2-CG 4.02Å; Y61-W87 HydrophobicContact CE2-CZ2 4.1Å; Y61-W87 AromaticContact CE2-NE1 3.54Å; R70-W87 HydrophobicContact CB-CB 4.41Å; R70-W87 HydrophobicContact CB-CD2 4.12Å; R70-W87 HydrophobicContact CB-CE3 3.8Å; R70-W87 HydrophobicContact CB-CG 4.38Å; R70-W87 HydrophobicContact CB-CZ3 4.49Å; R70-W87 VanDerWaalsContact NE-CZ3 3.34Å; E71-W87 CarbonylContact C-O 3.35Å; G72-W87 PolarHBondContact N-O 2.67Å; G72-W87 PolarHBondContact O-N 3.11Å; G74-W87 PolarHBondContact O-NE1 2.97Å; E76-W87 HydrophobicContact CB-CH2 4Å; E76-W87 HydrophobicContact CB-CZ2 3.61Å; E76-W87 WeakPolarHBondContact OE2-CH2 3.38Å; Y83-W87 AromaticContact CD1-CE2 3.68Å; Y83-W87 HydrophobicContact CD1-CH2 4.34Å; Y83-W87 AromaticContact CD1-CZ2 3.43Å; Y83-W87 HydrophobicContact CD1-CZ2 3.43Å; Y83-W87 VanDerWaalsContact CD1-CZ2 3.43Å; Y83-W87 AromaticContact CD1-NE1 3.69Å; Y83-W87 HydrophobicContact CE1-CD2 4.44Å; Y83-W87 AromaticContact CE1-CE2 3.64Å; Y83-W87 AromaticContact CE1-CZ2 3.84Å; Y83-W87 HydrophobicContact CE1-CZ2 3.84Å; Y83-W87 AromaticContact CE1-NE1 3.48Å; Y83-W87 HydrophobicContact CG-CZ2 4.44Å; W87-L91 CarbonylContact C-O 3.53Å; W87-L91 WeakPolarHBondContact CA-O 3.46Å; W87-K92 HydrophobicContact CH2-CG 4.49Å
88L95Very high95.4Very high112 Ų11245.9 Ų45.959%0.58623%0.229SC*.EExtended strand (participates in β ladder)trans-148.1120.3178.7-179.363000109.4E71 G90 L91E71-L88 WeakPolarHBondContact OE1-CD1 3.26Å; E71-L88 WeakPolarHBondContact OE2-CA 3.39Å; L88-G90 PolarHBondContact O-N 2.88Å; L88-G90 VanDerWaalsContact O-N 3.15Å; L88-L91 PolarHBondContact N-O 2.95Å; L88-L91 PolarHBondContact O-N 2.95Å
89G91.9Very high95.5Very high41 Ų4145.7 Ų45.742%0.42323%0.23SC..THydrogen-bonded Turntrans59.726176.200000114.6E71E71-G89 PolarHBondContact OE2-N 3Å
90G92.5Very high95.6Very high15 Ų1541.5 Ų41.516%0.15520%0.2CC..THydrogen-bonded Turntrans88.8-7.7-175.100000115.4R70 L88R70-G90 PolarHBondContact NE-O 2.89Å; R70-G90 PolarHBondContact NH2-O 2.82Å; R70-G90 WeakPolarHBondContact O-CA 3.46Å; R70-G90 PolarHBondContact O-N 3.15Å; L88-G90 PolarHBondContact O-N 2.88Å; L88-G90 VanDerWaalsContact O-N 3.15Å
91L91.9Very high95.6Very high71 Ų7139.6 Ų39.637%0.37221%0.206SC..EExtended strand (participates in β ladder)trans-98.6165.5174.6-62.1178.3000111.1W87 L88 G93 P171W87-L91 CarbonylContact C-O 3.53Å; W87-L91 WeakPolarHBondContact CA-O 3.46Å; L88-L91 PolarHBondContact N-O 2.95Å; L88-L91 PolarHBondContact O-N 2.95Å; L91-G93 PolarHBondContact O-N 2.83Å; L91-P171 HydrophobicContact CD2-CB 3.75Å; L91-P171 HydrophobicContact CD2-CG 4.31Å
92K93.8Very high95.2Very high20 Ų2041.9 Ų41.99%0.08722%0.223CC..EExtended strand (participates in β ladder)trans-60.7129.1169.1-56-175.7-169.988.20108.5Y83 W87 W110 G113 S168Y83-K92 HydrophobicContact CD2-CD 3.86Å; Y83-K92 HydrophobicContact CD2-CG 4.46Å; Y83-K92 HydrophobicContact CE1-CB 4.41Å; Y83-K92 HydrophobicContact CE1-CG 4.24Å; Y83-K92 HydrophobicContact CE2-CB 4.38Å; Y83-K92 HydrophobicContact CE2-CD 3.78Å; Y83-K92 HydrophobicContact CE2-CG 4.22Å; Y83-K92 HydrophobicContact CG-CD 4.33Å; W87-K92 HydrophobicContact CH2-CG 4.49Å; K92-W110 HydrophobicContact CD-CD2 3.89Å; K92-W110 HydrophobicContact CD-CE3 3.4Å; K92-W110 HydrophobicContact CD-CH2 3.96Å; K92-W110 HydrophobicContact CD-CZ2 4.37Å; K92-W110 HydrophobicContact CD-CZ3 3.46Å; K92-W110 VanDerWaalsContact CD-CZ3 3.46Å; K92-G113 PolarHBondContact NZ-O 3.01Å; K92-S168 PolarHBondContact NZ-OG 2.81Å
93G94.2Very high94.7Very high6 Ų642.5 Ų42.56%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-71.6-159.5177.700000112.2E86 L91 W110E86-G93 PolarHBondContact O-N 3.05Å; L91-G93 PolarHBondContact O-N 2.83Å; G93-W110 VanDerWaalsContact O-CB 3.27Å; G93-W110 WeakPolarHBondContact O-CB 3.31Å
94R96.6Very high94.4Very high187 Ų18742.5 Ų42.571%0.70624%0.236SC*.EExtended strand (participates in β ladder)trans-74.2-29.4-171.1-64-177.6-63.6-174.3-3114.2E86 L109 W110E86-R94 PolarHBondContact OE2-N 2.87Å; R94-L109 CarbonylContact O-C 3.57Å; R94-L109 VanDerWaalsContact O-CA 3.28Å; R94-L109 WeakPolarHBondContact O-CA 3.21Å; R94-L109 WeakPolarHBondContact O-CD2 3.45Å; R94-W110 PolarHBondContact O-N 2.98Å
95S97.8Very high94.3Very high9 Ų943 Ų436%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-139.7136.7-172.1-170.90000112.7Y83 E86 A388Y83-S95 PolarHBondContact OH-O 3.35Å; E86-S95 WeakPolarHBondContact CB-O 3.33Å; E86-S95 PolarHBondContact N-O 3.43Å; E86-S95 PolarHBondContact OE2-N 2.77Å; S95-A388 VanDerWaalsContact OG-CA 3.24Å; S95-A388 WeakPolarHBondContact OG-CA 3.45Å; S95-A388 WeakPolarHBondContact OG-CB 3.44Å
96G97.6Very high94.3Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans177.3171.3178.200000114.9R84 G108 W110R84-G96 WeakPolarHBondContact O-CA 3.39Å; G96-G108 PolarHBondContact N-O 3.47Å; G96-G108 PolarHBondContact O-N 3.45Å; G96-W110 PolarHBondContact O-NE1 3.35Å
97V98.5Very high94.3Very high4 Ų442.1 Ų42.12%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-110.2129.9179.4178.40000109.2Y83 R84 R105 Y106 A107 A388 L389 A392Y83-V97 CarbonylContact C-O 3.49Å; Y83-V97 WeakPolarHBondContact CA-O 3.35Å; Y83-V97 WeakPolarHBondContact CD2-O 3.17Å; R84-V97 PolarHBondContact N-O 3.01Å; R84-V97 PolarHBondContact O-N 3.36Å; V97-R105 HydrophobicContact CG1-CG 4.07Å; V97-Y106 CarbonylContact C-O 3.5Å; V97-Y106 VanDerWaalsContact CA-O 3.31Å; V97-Y106 WeakPolarHBondContact CA-O 3.3Å; V97-A107 HydrophobicContact CG2-CB 3.95Å; V97-A388 HydrophobicContact CG2-CB 4.43Å; V97-L389 HydrophobicContact CG2-CD2 4.03Å; V97-A392 HydrophobicContact CB-CB 3.88Å; V97-A392 HydrophobicContact CG2-CB 3.55Å
98W97.7Very high94.3Very high13 Ų1341.8 Ų41.85%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-113.5138.1168.7179.496000109.6W81 T82 Y83 L104 R105 Y106 W110W81-W98 HydrophobicContact CB-CZ2 3.59Å; W81-W98 AromaticContact CD1-CZ2 3.91Å; W81-W98 AromaticContact CD1-NE1 3.99Å; W81-W98 AromaticContact CD2-NE1 3.33Å; W81-W98 VanDerWaalsContact CD2-NE1 3.33Å; W81-W98 AromaticContact CE2-NE1 3.93Å; W81-W98 AromaticContact CE3-CD1 3.85Å; W81-W98 AromaticContact CE3-NE1 3.52Å; W81-W98 AromaticContact CG-CE2 3.81Å; W81-W98 AromaticContact CG-CZ2 3.82Å; W81-W98 HydrophobicContact CG-CZ2 3.82Å; W81-W98 AromaticContact CG-NE1 3.38Å; T82-W98 WeakPolarHBondContact O-CA 3.42Å; Y83-W98 HydrophobicContact CD2-CB 4.29Å; W98-L104 HydrophobicContact CH2-CD2 4.42Å; W98-L104 HydrophobicContact CZ3-CD2 3.86Å; W98-L104 HydrophobicContact CZ3-CG 4.2Å; W98-R105 CarbonylContact O-C 3.57Å; W98-R105 WeakPolarHBondContact O-CA 3.34Å; W98-Y106 PolarHBondContact N-O 3.22Å; W98-Y106 PolarHBondContact O-N 2.91Å; W98-W110 HydrophobicContact CB-CH2 3.55Å; W98-W110 HydrophobicContact CB-CZ2 3.46Å; W98-W110 VanDerWaalsContact CB-CZ2 3.46Å; W98-W110 HydrophobicContact CG-CH2 4.06Å; W98-W110 HydrophobicContact CG-CZ2 4.43Å
99E95.9Very high94.5Very high67 Ų6738.4 Ų38.431%0.31322%0.215SC..EExtended strand (participates in β ladder)trans-140.8123.7-173.8-179.6169.5-132.400109.5W81 T82 R84W81-E99 CarbonylContact C-O 3.6Å; W81-E99 WeakPolarHBondContact CA-O 3.33Å; W81-E99 WeakPolarHBondContact CB-O 3.44Å; T82-E99 PolarHBondContact N-O 3.39Å; T82-E99 PolarHBondContact O-N 2.85Å; R84-E99 IonicContact NH2-OE2 2.68Å; R84-E99 PolarHBondContact NH2-OE2 2.92Å
100S93Very high94.7Very high12 Ų1237 Ų378%0.08420%0.197CC..EExtended strand (participates in β ladder)trans-83.7154.6173.471.60000111.5R80 S102 G103 L104R80-S100 WeakPolarHBondContact O-CA 3.41Å; S100-S102 PolarHBondContact O-N 3.16Å; S100-S102 PolarHBondContact OG-N 2.9Å; S100-S102 PolarHBondContact OG-OG 3.47Å; S100-G103 PolarHBondContact O-N 2.87Å; S100-G103 PolarHBondContact OG-N 2.86Å; S100-L104 PolarHBondContact N-O 2.73Å; S100-L104 WeakPolarHBondContact OG-CB 3.36Å; S100-L104 PolarHBondContact OG-N 2.91Å; S100-L104 VanDerWaalsContact OG-N 3.07Å; S100-L104 PolarHBondContact OG-O 2.86Å; S100-L104 VanDerWaalsContact OG-O 3.09Å
101V91.2Very high94.8Very high118 Ų11841.9 Ų41.972%0.71522%0.215SC*.THydrogen-bonded Turntrans-60.1-13.3167.8-61.70000113.5R80R80-V101 PolarHBondContact O-N 3.16Å
102S85.6Confident94.6Very high59 Ų5943.4 Ų43.441%0.41322%0.223SC..THydrogen-bonded Turntrans-88.92.4175.866.60000114.4S100 L104 S124S100-S102 PolarHBondContact O-N 3.16Å; S100-S102 PolarHBondContact OG-N 2.9Å; S100-S102 PolarHBondContact OG-OG 3.47Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3.3Å; S102-S124 WeakPolarHBondContact O-CB 3.29Å
103G86.2Confident94.3Very high42 Ų4242.5 Ų42.543%0.43322%0.22SC..SBendtrans82.1-3.7-178.700000115.4S100 R105S100-G103 PolarHBondContact O-N 2.87Å; S100-G103 PolarHBondContact OG-N 2.86Å; G103-R105 PolarHBondContact O-N 3.4Å
104L91Very high94.1Very high0 Ų045.3 Ų45.30%023%0.23CC..  trans-64.1128.7163.7178.675.6000109.2W98 S100 S102 E121 T122 Y123 G166W98-L104 HydrophobicContact CH2-CD2 4.42Å; W98-L104 HydrophobicContact CZ3-CD2 3.86Å; W98-L104 HydrophobicContact CZ3-CG 4.2Å; S100-L104 PolarHBondContact N-O 2.73Å; S100-L104 WeakPolarHBondContact OG-CB 3.36Å; S100-L104 PolarHBondContact OG-N 2.91Å; S100-L104 VanDerWaalsContact OG-N 3.07Å; S100-L104 PolarHBondContact OG-O 2.86Å; S100-L104 VanDerWaalsContact OG-O 3.09Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3.3Å; L104-E121 HydrophobicContact CD1-CG 3.68Å; L104-T122 WeakPolarHBondContact CA-O 3.48Å; L104-T122 WeakPolarHBondContact CD1-O 3.39Å; L104-Y123 HydrophobicContact CD1-CD1 3.62Å; L104-Y123 HydrophobicContact CD1-CE1 4.17Å; L104-Y123 HydrophobicContact CD1-CG 4.38Å; L104-G166 VanDerWaalsContact CD2-CA 3.43Å
105R96Very high94Very high94 Ų9436.4 Ų36.436%0.35520%0.197SC..EExtended strand (participates in β ladder)trans-128.1141.4178.7-172.6-175.1-169.3178.211.8110.9V97 W98 G103 E121 T122V97-R105 HydrophobicContact CG1-CG 4.07Å; W98-R105 CarbonylContact O-C 3.57Å; W98-R105 WeakPolarHBondContact O-CA 3.34Å; G103-R105 PolarHBondContact O-N 3.4Å; R105-E121 CarbonylContact O-C 3.56Å; R105-E121 WeakPolarHBondContact O-CA 3.49Å; R105-T122 PolarHBondContact N-O 2.96Å; R105-T122 PolarHBondContact O-N 2.76Å
106Y97.9Very high93.9Very high1 Ų138.2 Ų38.20%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-122135.1165.2173.2-97000109.4V97 W98 L109 W110 Q115 T120 E121 W133V97-Y106 CarbonylContact C-O 3.5Å; V97-Y106 VanDerWaalsContact CA-O 3.31Å; V97-Y106 WeakPolarHBondContact CA-O 3.3Å; W98-Y106 PolarHBondContact N-O 3.22Å; W98-Y106 PolarHBondContact O-N 2.91Å; Y106-L109 PolarHBondContact OH-N 2.94Å; Y106-L109 PolarHBondContact OH-O 3.46Å; Y106-W110 AromaticContact CD1-CE2 3.77Å; Y106-W110 HydrophobicContact CD1-CH2 4.18Å; Y106-W110 AromaticContact CD1-CZ2 3.48Å; Y106-W110 HydrophobicContact CD1-CZ2 3.48Å; Y106-W110 VanDerWaalsContact CD1-CZ2 3.48Å; Y106-W110 AromaticContact CD1-NE1 3.96Å; Y106-W110 HydrophobicContact CE1-CD2 4.31Å; Y106-W110 AromaticContact CE1-CE2 3.68Å; Y106-W110 AromaticContact CE1-CZ2 3.88Å; Y106-W110 HydrophobicContact CE1-CZ2 3.88Å; Y106-W110 AromaticContact CE1-NE1 3.64Å; Y106-Q115 HydrophobicContact CD1-CG 3.57Å; Y106-Q115 HydrophobicContact CD2-CG 3.94Å; Y106-Q115 HydrophobicContact CE1-CB 3.95Å; Y106-Q115 HydrophobicContact CE1-CG 3.47Å; Y106-Q115 VanDerWaalsContact CE1-CG 3.47Å; Y106-Q115 HydrophobicContact CE2-CB 4.01Å; Y106-Q115 HydrophobicContact CE2-CG 3.86Å; Y106-Q115 HydrophobicContact CG-CG 3.79Å; Y106-T120 CarbonylContact C-O 3.58Å; Y106-T120 WeakPolarHBondContact CA-O 3.37Å; Y106-E121 HydrophobicContact CD2-CB 4.43Å; Y106-W133 HydrophobicContact CD2-CH2 4.38Å; Y106-W133 AromaticContact CD2-CZ2 3.97Å; Y106-W133 HydrophobicContact CD2-CZ2 3.97Å; Y106-W133 AromaticContact CE2-CD2 3.95Å; Y106-W133 HydrophobicContact CE2-CD2 3.95Å; Y106-W133 AromaticContact CE2-CE2 3.59Å; Y106-W133 HydrophobicContact CE2-CG 4.25Å; Y106-W133 AromaticContact CE2-CZ2 3.94Å; Y106-W133 HydrophobicContact CE2-CZ2 3.94Å; Y106-W133 AromaticContact CE2-NE1 3.66Å
107A98.5Very high94Very high7 Ų739.3 Ų39.36%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-132.7121.7172.700000109V97 G119 T120 A385 A388V97-A107 HydrophobicContact CG2-CB 3.95Å; A107-G119 WeakPolarHBondContact O-CA 3.18Å; A107-T120 PolarHBondContact N-O 3.18Å; A107-T120 PolarHBondContact O-N 3.02Å; A107-A385 HydrophobicContact CB-CB 4.05Å; A107-A385 WeakPolarHBondContact O-CB 3.43Å; A107-A388 HydrophobicContact CB-CB 4.48Å
108G98.2Very high94Very high0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans160.8-152.5-179.800000113G96 W110G96-G108 PolarHBondContact N-O 3.47Å; G96-G108 PolarHBondContact O-N 3.45Å; G108-W110 PolarHBondContact O-NE1 2.9Å
109L98.3Very high94Very high40 Ų4040.7 Ų40.721%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-83.5154.3-176-61.3-178.7000112.7R94 Y106 D116 Y118 R384R94-L109 CarbonylContact O-C 3.57Å; R94-L109 VanDerWaalsContact O-CA 3.28Å; R94-L109 WeakPolarHBondContact O-CA 3.21Å; R94-L109 WeakPolarHBondContact O-CD2 3.45Å; Y106-L109 PolarHBondContact OH-N 2.94Å; Y106-L109 PolarHBondContact OH-O 3.46Å; L109-D116 CarbonylContact C-O 3.51Å; L109-D116 WeakPolarHBondContact CB-O 3.31Å; L109-D116 PolarHBondContact O-N 3.37Å; L109-Y118 HydrophobicContact CD1-CD2 4.32Å; L109-Y118 PolarHBondContact N-O 2.93Å; L109-R384 HydrophobicContact CD1-CG 4.14Å; L109-R384 HydrophobicContact CG-CB 4.23Å; L109-R384 HydrophobicContact CG-CG 4.22Å
110W96.5Very high94.1Very high11 Ų1138.2 Ų38.24%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-139.4148.8-176.9-64.783.8000110.7Y83 K92 G93 R94 G96 W98 Y106 G108 F114 Q115Y83-W110 AromaticContact CD2-CZ2 3.99Å; Y83-W110 HydrophobicContact CD2-CZ2 3.99Å; Y83-W110 HydrophobicContact CE2-CD2 4.28Å; Y83-W110 AromaticContact CE2-CE2 3.7Å; Y83-W110 AromaticContact CE2-CZ2 3.89Å; Y83-W110 HydrophobicContact CE2-CZ2 3.89Å; Y83-W110 AromaticContact CE2-NE1 3.76Å; K92-W110 HydrophobicContact CD-CD2 3.89Å; K92-W110 HydrophobicContact CD-CE3 3.4Å; K92-W110 HydrophobicContact CD-CH2 3.96Å; K92-W110 HydrophobicContact CD-CZ2 4.37Å; K92-W110 HydrophobicContact CD-CZ3 3.46Å; K92-W110 VanDerWaalsContact CD-CZ3 3.46Å; G93-W110 VanDerWaalsContact O-CB 3.27Å; G93-W110 WeakPolarHBondContact O-CB 3.31Å; R94-W110 PolarHBondContact O-N 2.98Å; G96-W110 PolarHBondContact O-NE1 3.35Å; W98-W110 HydrophobicContact CB-CH2 3.55Å; W98-W110 HydrophobicContact CB-CZ2 3.46Å; W98-W110 VanDerWaalsContact CB-CZ2 3.46Å; W98-W110 HydrophobicContact CG-CH2 4.06Å; W98-W110 HydrophobicContact CG-CZ2 4.43Å; Y106-W110 AromaticContact CD1-CE2 3.77Å; Y106-W110 HydrophobicContact CD1-CH2 4.18Å; Y106-W110 AromaticContact CD1-CZ2 3.48Å; Y106-W110 HydrophobicContact CD1-CZ2 3.48Å; Y106-W110 VanDerWaalsContact CD1-CZ2 3.48Å; Y106-W110 AromaticContact CD1-NE1 3.96Å; Y106-W110 HydrophobicContact CE1-CD2 4.31Å; Y106-W110 AromaticContact CE1-CE2 3.68Å; Y106-W110 AromaticContact CE1-CZ2 3.88Å; Y106-W110 HydrophobicContact CE1-CZ2 3.88Å; Y106-W110 AromaticContact CE1-NE1 3.64Å; G108-W110 PolarHBondContact O-NE1 2.9Å; W110-F114 VanDerWaalsContact CA-O 3.28Å; W110-F114 WeakPolarHBondContact CA-O 3.38Å; W110-F114 VanDerWaalsContact CE3-C 3.42Å; W110-Q115 HydrophobicContact CE3-CG 4.36Å; W110-Q115 HydrophobicContact CH2-CG 4.05Å; W110-Q115 HydrophobicContact CZ2-CG 4.46Å; W110-Q115 HydrophobicContact CZ3-CG 3.99Å
111K93.5Very high94.3Very high119 Ų11937.7 Ų37.752%0.51721%0.207SC..EExtended strand (participates in β ladder)trans-150.2138173.4-165.7-169169.8-170.90109.5G113 F114 D116K111-G113 PolarHBondContact O-N 2.97Å; K111-F114 PolarHBondContact N-O 3.48Å; K111-F114 PolarHBondContact O-N 3.36Å; K111-D116 HydrophobicContact CB-CB 3.64Å
112D88.9Confident94.5Very high102 Ų10234.5 Ų34.555%0.54519%0.188SC..THydrogen-bonded Turntrans52.428.9176.2-50.2-37.7000113.9F114D112-F114 VanDerWaalsContact O-CD2 3.3Å; D112-F114 WeakPolarHBondContact O-CD2 3.46Å
113G86.6Confident94.7Very high2 Ų232.6 Ų32.62%0.02117%0.172CC..THydrogen-bonded Turntrans86.7-6.6-177.300000116.2K92 K111 S168K92-G113 PolarHBondContact NZ-O 3.01Å; K111-G113 PolarHBondContact O-N 2.97Å; G113-S168 PolarHBondContact O-OG 2.98Å
114F90.1Very high94.6Very high65 Ų6533 Ų3329%0.28517%0.168SC..EExtended strand (participates in β ladder)trans-108.2161.7-178.6-60.1-83.2000112.8W110 K111 D112 D116 P170W110-F114 VanDerWaalsContact CA-O 3.28Å; W110-F114 WeakPolarHBondContact CA-O 3.38Å; W110-F114 VanDerWaalsContact CE3-C 3.42Å; K111-F114 PolarHBondContact N-O 3.48Å; K111-F114 PolarHBondContact O-N 3.36Å; D112-F114 VanDerWaalsContact O-CD2 3.3Å; D112-F114 WeakPolarHBondContact O-CD2 3.46Å; F114-D116 PolarHBondContact O-N 2.74Å; F114-P170 HydrophobicContact CE1-CB 4.21Å; F114-P170 HydrophobicContact CZ-CB 3.86Å
115Q95.1Very high94.1Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-68.2122.7169.4-56.894.3-29.100110.1Y106 W110 W133 G136 G166Y106-Q115 HydrophobicContact CD1-CG 3.57Å; Y106-Q115 HydrophobicContact CD2-CG 3.94Å; Y106-Q115 HydrophobicContact CE1-CB 3.95Å; Y106-Q115 HydrophobicContact CE1-CG 3.47Å; Y106-Q115 VanDerWaalsContact CE1-CG 3.47Å; Y106-Q115 HydrophobicContact CE2-CB 4.01Å; Y106-Q115 HydrophobicContact CE2-CG 3.86Å; Y106-Q115 HydrophobicContact CG-CG 3.79Å; W110-Q115 HydrophobicContact CE3-CG 4.36Å; W110-Q115 HydrophobicContact CH2-CG 4.05Å; W110-Q115 HydrophobicContact CZ2-CG 4.46Å; W110-Q115 HydrophobicContact CZ3-CG 3.99Å; Q115-W133 HydrophobicContact CB-CD2 4.2Å; Q115-W133 HydrophobicContact CB-CE3 3.8Å; Q115-W133 HydrophobicContact CB-CZ3 4.37Å; Q115-G136 WeakPolarHBondContact O-CA 3.4Å; Q115-G136 PolarHBondContact O-N 2.93Å; Q115-G166 PolarHBondContact NE2-O 3.15Å
116D96.8Very high93.6Very high47 Ų4732.3 Ų32.325%0.25118%0.183SC..EExtended strand (participates in β ladder)trans-151.2146.2-175.5-156.8-90.7000110.6L109 K111 F114 Y118 Q134 A135L109-D116 CarbonylContact C-O 3.51Å; L109-D116 WeakPolarHBondContact CB-O 3.31Å; L109-D116 PolarHBondContact O-N 3.37Å; K111-D116 HydrophobicContact CB-CB 3.64Å; F114-D116 PolarHBondContact O-N 2.74Å; D116-Y118 PolarHBondContact O-N 3.02Å; D116-Q134 VanDerWaalsContact OD2-CA 3.32Å; D116-Q134 WeakPolarHBondContact OD2-CA 3.27Å; D116-A135 PolarHBondContact OD2-N 3.33Å
117G98.1Very high93.2Very high22 Ų2232.3 Ų32.323%0.22718%0.183CC..EExtended strand (participates in β ladder)trans87.4-101.8-176.500000113Q132 W133G117-Q132 CarbonylContact O-C 3.58Å; G117-Q132 VanDerWaalsContact O-CA 3.28Å; G117-Q132 WeakPolarHBondContact O-CA 3.28Å; G117-W133 PolarHBondContact N-O 3.42Å; G117-W133 PolarHBondContact O-N 2.86Å
118Y98.7Very high93.1Very high47 Ų4733.4 Ų33.418%0.18419%0.189CC..EExtended strand (participates in β ladder)trans-136.6135.8-171-70.3-88.5000111.7L109 D116 Q132 R377 V380 A381L109-Y118 HydrophobicContact CD1-CD2 4.32Å; L109-Y118 PolarHBondContact N-O 2.93Å; D116-Y118 PolarHBondContact O-N 3.02Å; Y118-Q132 HydrophobicContact CD1-CG 3.98Å; Y118-Q132 HydrophobicContact CE1-CG 3.58Å; Y118-R377 HydrophobicContact CE1-CB 4.2Å; Y118-R377 HydrophobicContact CE1-CG 4.4Å; Y118-R377 PolarHBondContact OH-NH1 3.32Å; Y118-V380 HydrophobicContact CD1-CB 4.04Å; Y118-V380 HydrophobicContact CD1-CG1 3.61Å; Y118-V380 HydrophobicContact CD2-CG1 4.13Å; Y118-V380 HydrophobicContact CE1-CB 3.98Å; Y118-V380 HydrophobicContact CE1-CG1 3.65Å; Y118-V380 HydrophobicContact CE2-CG1 4.18Å; Y118-V380 HydrophobicContact CG-CG1 3.85Å; Y118-A381 HydrophobicContact CD1-CB 4.48Å
119G98.1Very high93.1Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-176.1164.9178.500000115.3A107 G131 W133A107-G119 WeakPolarHBondContact O-CA 3.18Å; G119-G131 PolarHBondContact N-O 3.34Å; G119-G131 VanDerWaalsContact N-O 3.11Å; G119-G131 PolarHBondContact O-N 2.99Å; G119-W133 PolarHBondContact O-NE1 3.29Å
120T98.4Very high93.1Very high15 Ų1533.6 Ų33.69%0.09219%0.189CC..EExtended strand (participates in β ladder)trans-107.6125.1177.3-63.20000109.8Y106 A107 Y129 Q130 A385Y106-T120 CarbonylContact C-O 3.58Å; Y106-T120 WeakPolarHBondContact CA-O 3.37Å; A107-T120 PolarHBondContact N-O 3.18Å; A107-T120 PolarHBondContact O-N 3.02Å; T120-Y129 CarbonylContact C-O 3.57Å; T120-Y129 VanDerWaalsContact CA-O 3.32Å; T120-Y129 WeakPolarHBondContact CA-O 3.48Å; T120-Q130 HydrophobicContact CG2-CG 3.8Å; T120-A385 WeakPolarHBondContact OG1-CB 3.17Å
121E97.3Very high93.2Very high1 Ų133.1 Ų33.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-106.2127168-179.8177.2-130.900109.1L104 R105 Y106 Y123 T128 Y129 W133 G166L104-E121 HydrophobicContact CD1-CG 3.68Å; R105-E121 CarbonylContact O-C 3.56Å; R105-E121 WeakPolarHBondContact O-CA 3.49Å; Y106-E121 HydrophobicContact CD2-CB 4.43Å; E121-Y123 VanDerWaalsContact CD-CE1 3.42Å; E121-Y123 HydrophobicContact CG-CD1 4.38Å; E121-Y123 HydrophobicContact CG-CE1 3.9Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.42Å; E121-Y123 PolarHBondContact OE2-OH 3.23Å; E121-T128 CarbonylContact O-C 3.5Å; E121-T128 VanDerWaalsContact O-CA 3.28Å; E121-T128 WeakPolarHBondContact O-CA 3.29Å; E121-Y129 PolarHBondContact N-O 2.8Å; E121-Y129 PolarHBondContact O-N 3.17Å; E121-W133 HydrophobicContact CB-CH2 3.99Å; E121-W133 HydrophobicContact CB-CZ2 3.66Å; E121-W133 HydrophobicContact CG-CH2 4.44Å; E121-G166 PolarHBondContact OE1-N 2.86Å
122T94.9Very high93.4Very high51 Ų5129.6 Ų29.631%0.31317%0.173SC..EExtended strand (participates in β ladder)trans-110.4114.3173-55.50000108.3L104 R105 G127 T128L104-T122 WeakPolarHBondContact CA-O 3.48Å; L104-T122 WeakPolarHBondContact CD1-O 3.39Å; R105-T122 PolarHBondContact N-O 2.96Å; R105-T122 PolarHBondContact O-N 2.76Å; T122-G127 CarbonylContact C-O 3.57Å; T122-G127 WeakPolarHBondContact CA-O 3.43Å; T122-T128 HydrophobicContact CG2-CG2 4.47Å
123Y89.3Confident93.9Very high18 Ų1825.1 Ų25.17%0.07115%0.148CC..  trans-71.3155-179.5-62.3-66.4000111.9L104 E121 D125 G126 G127 R138L104-Y123 HydrophobicContact CD1-CD1 3.62Å; L104-Y123 HydrophobicContact CD1-CE1 4.17Å; L104-Y123 HydrophobicContact CD1-CG 4.38Å; E121-Y123 VanDerWaalsContact CD-CE1 3.42Å; E121-Y123 HydrophobicContact CG-CD1 4.38Å; E121-Y123 HydrophobicContact CG-CE1 3.9Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.42Å; E121-Y123 PolarHBondContact OE2-OH 3.23Å; Y123-D125 WeakPolarHBondContact CB-OD1 3.38Å; Y123-D125 PolarHBondContact O-N 3.03Å; Y123-D125 VanDerWaalsContact O-N 3.09Å; Y123-G126 PolarHBondContact O-N 3.15Å; Y123-G127 WeakPolarHBondContact CD2-O 3.34Å; Y123-G127 PolarHBondContact N-O 2.89Å; Y123-R138 PolarHBondContact OH-NH1 2.99Å
124S85Confident94.4Very high50 Ų5029.9 Ų29.935%0.3517%0.17SC..THydrogen-bonded Turntrans-60.5-16.5176.453.40000114.3S102S102-S124 WeakPolarHBondContact O-CB 3.29Å
125D80.6Confident94.6Very high31 Ų3129.8 Ų29.817%0.16618%0.181CC..THydrogen-bonded Turntrans-87.8-12.1174.866.2-4.7000113.3Y123 G127 V147 Q151 L155Y123-D125 WeakPolarHBondContact CB-OD1 3.38Å; Y123-D125 PolarHBondContact O-N 3.03Å; Y123-D125 VanDerWaalsContact O-N 3.09Å; D125-G127 PolarHBondContact OD1-N 2.97Å; D125-V147 HydrophobicContact CB-CG1 4.49Å; D125-V147 HydrophobicContact CB-CG2 3.92Å; D125-V147 WeakPolarHBondContact O-CG1 3.48Å; D125-V147 WeakPolarHBondContact OD2-CG2 3.34Å; D125-Q151 PolarHBondContact O-NE2 2.93Å; D125-L155 HydrophobicContact CB-CD1 3.42Å; D125-L155 VanDerWaalsContact CB-CD1 3.42Å
126G84.8Confident94.5Very high49 Ų4929.8 Ų29.851%0.50518%0.181SC..SBendtrans101.8-4.4-173.300000114.4Y123 V147Y123-G126 PolarHBondContact O-N 3.15Å; G126-V147 VanDerWaalsContact C-CG1 3.4Å
127G90.4Very high94.4Very high1 Ų131.9 Ų31.91%0.0119%0.188CC..  trans-70.2163.917700000111.5T122 Y123 D125 Q145T122-G127 CarbonylContact C-O 3.57Å; T122-G127 WeakPolarHBondContact CA-O 3.43Å; Y123-G127 WeakPolarHBondContact CD2-O 3.34Å; Y123-G127 PolarHBondContact N-O 2.89Å; D125-G127 PolarHBondContact OD1-N 2.97Å; G127-Q145 WeakPolarHBondContact CA-O 3.3Å
128T95.5Very high94.4Very high30 Ų3030.8 Ų30.818%0.18418%0.177CC..EExtended strand (participates in β ladder)trans-135.1153.1-179.563.20000112.9E121 T122 R144 Q145E121-T128 CarbonylContact O-C 3.5Å; E121-T128 VanDerWaalsContact O-CA 3.28Å; E121-T128 WeakPolarHBondContact O-CA 3.29Å; T122-T128 HydrophobicContact CG2-CG2 4.47Å; T128-R144 CarbonylContact O-C 3.57Å; T128-R144 VanDerWaalsContact O-CA 3.27Å; T128-R144 WeakPolarHBondContact O-CA 3.33Å; T128-R144 VanDerWaalsContact O-CG 3.31Å; T128-R144 WeakPolarHBondContact O-CG 3.2Å; T128-Q145 PolarHBondContact N-O 3.16Å; T128-Q145 PolarHBondContact O-N 3.18Å
129Y97.8Very high94.3Very high0 Ų031.2 Ų31.20%018%0.181CC..EExtended strand (participates in β ladder)trans-127.8135.3158.8171.8-95.3000109.5T120 E121 Q132 W133 R138 V143 R144 W286T120-Y129 CarbonylContact C-O 3.57Å; T120-Y129 VanDerWaalsContact CA-O 3.32Å; T120-Y129 WeakPolarHBondContact CA-O 3.48Å; E121-Y129 PolarHBondContact N-O 2.8Å; E121-Y129 PolarHBondContact O-N 3.17Å; Y129-Q132 PolarHBondContact OH-N 3.13Å; Y129-Q132 PolarHBondContact OH-O 2.87Å; Y129-W133 AromaticContact CD1-CE2 3.8Å; Y129-W133 AromaticContact CD1-CZ2 3.58Å; Y129-W133 HydrophobicContact CD1-CZ2 3.58Å; Y129-W133 AromaticContact CD1-NE1 3.76Å; Y129-W133 AromaticContact CE1-CE2 3.72Å; Y129-W133 AromaticContact CE1-CZ2 3.96Å; Y129-W133 HydrophobicContact CE1-CZ2 3.96Å; Y129-W133 AromaticContact CE1-NE1 3.48Å; Y129-R138 VanDerWaalsContact CD1-CD 3.48Å; Y129-R138 HydrophobicContact CD1-CG 3.63Å; Y129-R138 HydrophobicContact CD2-CG 4.35Å; Y129-R138 HydrophobicContact CE1-CB 3.94Å; Y129-R138 HydrophobicContact CE1-CG 3.47Å; Y129-R138 VanDerWaalsContact CE1-CG 3.47Å; Y129-R138 HydrophobicContact CE2-CB 4.19Å; Y129-R138 HydrophobicContact CE2-CG 4.21Å; Y129-R138 HydrophobicContact CG-CG 4.06Å; Y129-V143 CarbonylContact C-O 3.48Å; Y129-V143 WeakPolarHBondContact CA-O 3.25Å; Y129-R144 HydrophobicContact CD2-CB 4.24Å; Y129-W286 HydrophobicContact CD2-CZ2 4.07Å; Y129-W286 AromaticContact CE2-CD1 3.95Å; Y129-W286 HydrophobicContact CE2-CD2 4.05Å; Y129-W286 AromaticContact CE2-CE2 3.64Å; Y129-W286 HydrophobicContact CE2-CG 4.24Å; Y129-W286 HydrophobicContact CE2-CZ2 4.05Å; Y129-W286 AromaticContact CE2-NE1 3.59Å
130Q98.6Very high94.3Very high45 Ų4532 Ų3221%0.2119%0.189CC..EExtended strand (participates in β ladder)trans-135.2119.2178.3-65.7-179.2-41.700109T120 G142 V143 Q378T120-Q130 HydrophobicContact CG2-CG 3.8Å; Q130-G142 CarbonylContact O-C 3.58Å; Q130-G142 VanDerWaalsContact O-CA 3.31Å; Q130-G142 WeakPolarHBondContact O-CA 3.46Å; Q130-V143 PolarHBondContact N-O 3.43Å; Q130-V143 PolarHBondContact O-N 2.89Å; Q130-Q378 HydrophobicContact CB-CB 4.18Å; Q130-Q378 HydrophobicContact CB-CG 3.83Å
131G98.4Very high94.3Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans160.7-148.3179.700000112.9G119 A381G119-G131 PolarHBondContact N-O 3.34Å; G119-G131 VanDerWaalsContact N-O 3.11Å; G119-G131 PolarHBondContact O-N 2.99Å; G131-A381 VanDerWaalsContact N-CB 3.34Å
132Q98.7Very high94.4Very high45 Ų4534.9 Ų34.921%0.2120%0.199CC..EExtended strand (participates in β ladder)trans-85.7150.4-174.6-71.5177.4-6900113.2G117 Y118 Y129 H139 Y141 R377G117-Q132 CarbonylContact O-C 3.58Å; G117-Q132 VanDerWaalsContact O-CA 3.28Å; G117-Q132 WeakPolarHBondContact O-CA 3.28Å; Y118-Q132 HydrophobicContact CD1-CG 3.98Å; Y118-Q132 HydrophobicContact CE1-CG 3.58Å; Y129-Q132 PolarHBondContact OH-N 3.13Å; Y129-Q132 PolarHBondContact OH-O 2.87Å; Q132-H139 CarbonylContact C-O 3.51Å; Q132-H139 WeakPolarHBondContact CB-O 3.5Å; Q132-H139 PolarHBondContact O-N 3.43Å; Q132-Y141 PolarHBondContact N-O 2.79Å; Q132-R377 HydrophobicContact CG-CB 4.29Å; Q132-R377 HydrophobicContact CG-CG 4.28Å
133W98.1Very high94.6Very high8 Ų833 Ų333%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-135.1146.7-176.5-70.783.1000110.6Y106 Q115 G117 G119 E121 Y129 K137 R138Y106-W133 HydrophobicContact CD2-CH2 4.38Å; Y106-W133 AromaticContact CD2-CZ2 3.97Å; Y106-W133 HydrophobicContact CD2-CZ2 3.97Å; Y106-W133 AromaticContact CE2-CD2 3.95Å; Y106-W133 HydrophobicContact CE2-CD2 3.95Å; Y106-W133 AromaticContact CE2-CE2 3.59Å; Y106-W133 HydrophobicContact CE2-CG 4.25Å; Y106-W133 AromaticContact CE2-CZ2 3.94Å; Y106-W133 HydrophobicContact CE2-CZ2 3.94Å; Y106-W133 AromaticContact CE2-NE1 3.66Å; Q115-W133 HydrophobicContact CB-CD2 4.2Å; Q115-W133 HydrophobicContact CB-CE3 3.8Å; Q115-W133 HydrophobicContact CB-CZ3 4.37Å; G117-W133 PolarHBondContact N-O 3.42Å; G117-W133 PolarHBondContact O-N 2.86Å; G119-W133 PolarHBondContact O-NE1 3.29Å; E121-W133 HydrophobicContact CB-CH2 3.99Å; E121-W133 HydrophobicContact CB-CZ2 3.66Å; E121-W133 HydrophobicContact CG-CH2 4.44Å; Y129-W133 AromaticContact CD1-CE2 3.8Å; Y129-W133 AromaticContact CD1-CZ2 3.58Å; Y129-W133 HydrophobicContact CD1-CZ2 3.58Å; Y129-W133 AromaticContact CD1-NE1 3.76Å; Y129-W133 AromaticContact CE1-CE2 3.72Å; Y129-W133 AromaticContact CE1-CZ2 3.96Å; Y129-W133 HydrophobicContact CE1-CZ2 3.96Å; Y129-W133 AromaticContact CE1-NE1 3.48Å; W133-K137 WeakPolarHBondContact CA-O 3.42Å; W133-R138 HydrophobicContact CD2-CG 4.31Å; W133-R138 HydrophobicContact CE3-CG 4.17Å; W133-R138 HydrophobicContact CH2-CG 3.63Å; W133-R138 HydrophobicContact CZ2-CG 3.76Å; W133-R138 HydrophobicContact CZ3-CG 3.84Å
134Q97.4Very high94.9Very high103 Ų10333.5 Ų33.548%0.48119%0.189SC..EExtended strand (participates in β ladder)trans-147.5125.9173.3-175.317765.500109.6D116 G136 K137 H139D116-Q134 VanDerWaalsContact OD2-CA 3.32Å; D116-Q134 WeakPolarHBondContact OD2-CA 3.27Å; Q134-G136 VanDerWaalsContact C-N 3.28Å; Q134-G136 PolarHBondContact O-N 2.84Å; Q134-K137 PolarHBondContact N-O 3.17Å; Q134-K137 PolarHBondContact O-N 2.89Å; Q134-H139 HydrophobicContact CB-CB 3.75Å; Q134-H139 PolarHBondContact OE1-CE1 3.18Å; Q134-H139 PolarHBondContact OE1-ND1 3.41Å; Q134-H139 VanDerWaalsContact OE1-ND1 3.09Å
135A94.4Very high95.4Very high63 Ų6336.1 Ų36.152%0.52120%0.195SC..THydrogen-bonded Turntrans46.147176.700000114.2D116 K137D116-A135 PolarHBondContact OD2-N 3.33Å; A135-K137 VanDerWaalsContact C-N 3.32Å; A135-K137 PolarHBondContact O-N 2.78Å
136G92.8Very high95.8Very high0 Ų035.5 Ų35.50%019%0.193CC..THydrogen-bonded Turntrans80.23.7177.900000115.7Q115 Q134 S165 H167Q115-G136 WeakPolarHBondContact O-CA 3.4Å; Q115-G136 PolarHBondContact O-N 2.93Å; Q134-G136 VanDerWaalsContact C-N 3.28Å; Q134-G136 PolarHBondContact O-N 2.84Å; G136-S165 PolarHBondContact O-OG 2.84Å; G136-H167 PolarHBondContact O-ND1 2.93Å; G136-H167 VanDerWaalsContact O-ND1 3.17Å
137K95.3Very high95.8Very high90 Ų9033.9 Ų33.939%0.39117%0.174SC..EExtended strand (participates in β ladder)trans-123.3149.8-175.7-59.1-174.6-178.9169.30111.6W133 Q134 A135 H139 A288 D289W133-K137 WeakPolarHBondContact CA-O 3.42Å; Q134-K137 PolarHBondContact N-O 3.17Å; Q134-K137 PolarHBondContact O-N 2.89Å; A135-K137 VanDerWaalsContact C-N 3.32Å; A135-K137 PolarHBondContact O-N 2.78Å; K137-H139 PolarHBondContact O-N 3.28Å; K137-A288 HydrophobicContact CD-CB 4.11Å; K137-D289 WeakPolarHBondContact CA-OD2 3.1Å; K137-D289 VanDerWaalsContact CB-OD2 3.25Å; K137-D289 WeakPolarHBondContact CB-OD2 3.43Å; K137-D289 VanDerWaalsContact CG-OD2 3.29Å; K137-D289 WeakPolarHBondContact CG-OD2 3.48Å
138R96.9Very high95.2Very high0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-71.3128.6174.1-59.2169.5-65.4171.812.4109.5Y123 Y129 W133 L163 W286 A288 D289Y123-R138 PolarHBondContact OH-NH1 2.99Å; Y129-R138 VanDerWaalsContact CD1-CD 3.48Å; Y129-R138 HydrophobicContact CD1-CG 3.63Å; Y129-R138 HydrophobicContact CD2-CG 4.35Å; Y129-R138 HydrophobicContact CE1-CB 3.94Å; Y129-R138 HydrophobicContact CE1-CG 3.47Å; Y129-R138 VanDerWaalsContact CE1-CG 3.47Å; Y129-R138 HydrophobicContact CE2-CB 4.19Å; Y129-R138 HydrophobicContact CE2-CG 4.21Å; Y129-R138 HydrophobicContact CG-CG 4.06Å; W133-R138 HydrophobicContact CD2-CG 4.31Å; W133-R138 HydrophobicContact CE3-CG 4.17Å; W133-R138 HydrophobicContact CH2-CG 3.63Å; W133-R138 HydrophobicContact CZ2-CG 3.76Å; W133-R138 HydrophobicContact CZ3-CG 3.84Å; R138-L163 PolarHBondContact NH2-O 2.81Å; R138-W286 HydrophobicContact CB-CE3 4.43Å; R138-A288 PolarHBondContact O-N 3.23Å; R138-D289 WeakPolarHBondContact CB-OD1 3.38Å; R138-D289 VanDerWaalsContact CG-OD1 3.3Å; R138-D289 WeakPolarHBondContact CG-OD1 3.47Å; R138-D289 IonicContact CZ-OD1 2.67Å; R138-D289 PolarHBondContact N-OD1 3.03Å; R138-D289 IonicContact NE-OD1 3.39Å; R138-D289 PolarHBondContact NE-OD1 2.78Å; R138-D289 PolarHBondContact NH2-O 2.99Å; R138-D289 IonicContact NH2-OD1 3.59Å; R138-D289 PolarHBondContact O-N 2.81Å
139H97.8Very high93.6Very high55 Ų5538.1 Ų38.126%0.25519%0.191SC..EExtended strand (participates in β ladder)trans-150.1152.7-172.1-163113.4000109.3Q132 Q134 K137 W286Q132-H139 CarbonylContact C-O 3.51Å; Q132-H139 WeakPolarHBondContact CB-O 3.5Å; Q132-H139 PolarHBondContact O-N 3.43Å; Q134-H139 HydrophobicContact CB-CB 3.75Å; Q134-H139 PolarHBondContact OE1-CE1 3.18Å; Q134-H139 PolarHBondContact OE1-ND1 3.41Å; Q134-H139 VanDerWaalsContact OE1-ND1 3.09Å; K137-H139 PolarHBondContact O-N 3.28Å; H139-W286 CarbonylContact C-O 3.59Å; H139-W286 WeakPolarHBondContact CA-O 3.42Å
140G98.4Very high91.6Very high17 Ų1742.4 Ų42.418%0.17521%0.211CC..EExtended strand (participates in β ladder)trans78.4-139.4177.700000110.8E285 W286G140-E285 CarbonylContact O-C 3.56Å; G140-E285 WeakPolarHBondContact O-CA 3.43Å; G140-W286 PolarHBondContact N-O 2.76Å; G140-W286 PolarHBondContact O-N 3.21Å
141Y98.8Very high89.4Confident77 Ų7744.2 Ų44.230%0.30222%0.219SC..EExtended strand (participates in β ladder)trans-99.8141.5-179.4-59.9-92.4000111.9Q132 E285 A370 A373Q132-Y141 PolarHBondContact N-O 2.79Å; Y141-E285 HydrophobicContact CD1-CG 3.78Å; Y141-E285 HydrophobicContact CE1-CG 3.34Å; Y141-A370 HydrophobicContact CD1-CB 4.49Å; Y141-A370 HydrophobicContact CE1-CB 4.09Å; Y141-A373 HydrophobicContact CD1-CB 3.67Å; Y141-A373 HydrophobicContact CD2-CB 4.4Å; Y141-A373 HydrophobicContact CE1-CB 3.85Å; Y141-A373 HydrophobicContact CG-CB 3.98Å
142G98.3Very high87.1Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-173.5161.3176.600000114.1Q130 G284 W286Q130-G142 CarbonylContact O-C 3.58Å; Q130-G142 VanDerWaalsContact O-CA 3.31Å; Q130-G142 WeakPolarHBondContact O-CA 3.46Å; G142-G284 PolarHBondContact N-O 3.45Å; G142-G284 VanDerWaalsContact N-O 3.08Å; G142-G284 PolarHBondContact O-N 2.83Å; G142-W286 PolarHBondContact O-NE1 3.08Å
143V98.6Very high84.5Confident11 Ų1145.3 Ų45.37%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-109.6131.5179.8-177.50000109.4Y129 Q130 V281 Y282 A283 A374 R375 Q378Y129-V143 CarbonylContact C-O 3.48Å; Y129-V143 WeakPolarHBondContact CA-O 3.25Å; Q130-V143 PolarHBondContact N-O 3.43Å; Q130-V143 PolarHBondContact O-N 2.89Å; V143-V281 HydrophobicContact CG1-CG1 4.06Å; V143-Y282 CarbonylContact C-O 3.4Å; V143-Y282 VanDerWaalsContact CA-O 3.29Å; V143-Y282 WeakPolarHBondContact CA-O 3.26Å; V143-A283 HydrophobicContact CG1-CB 4.37Å; V143-A283 HydrophobicContact CG2-CB 3.77Å; V143-A374 HydrophobicContact CG2-CB 4Å; V143-R375 HydrophobicContact CG2-CG 4.5Å; V143-Q378 HydrophobicContact CB-CB 4.39Å; V143-Q378 HydrophobicContact CG2-CB 4.04Å; V143-Q378 VanDerWaalsContact CG2-OE1 3.29Å
144R96.9Very high81.8Confident29 Ų2951.9 Ų51.911%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-117.9127.3172.3-178.3-178.8175.8-87.3-3.2110T128 Y129 V281 Y282 W286T128-R144 CarbonylContact O-C 3.57Å; T128-R144 VanDerWaalsContact O-CA 3.27Å; T128-R144 WeakPolarHBondContact O-CA 3.33Å; T128-R144 VanDerWaalsContact O-CG 3.31Å; T128-R144 WeakPolarHBondContact O-CG 3.2Å; Y129-R144 HydrophobicContact CD2-CB 4.24Å; R144-V281 CarbonylContact O-C 3.58Å; R144-V281 WeakPolarHBondContact O-CA 3.17Å; R144-Y282 PolarHBondContact N-O 2.94Å; R144-Y282 PolarHBondContact O-N 2.87Å; R144-W286 HydrophobicContact CB-CH2 3.96Å; R144-W286 HydrophobicContact CB-CZ2 3.63Å; R144-W286 HydrophobicContact CG-CH2 4.48Å
145Q94.7Very high79.2Confident104 Ų10451 Ų5149%0.48627%0.269SS..EExtended strand (participates in β ladder)trans-108134.5168.5-178.6172.4-4.600109.4G127 T128 V281G127-Q145 WeakPolarHBondContact CA-O 3.3Å; T128-Q145 PolarHBondContact N-O 3.16Å; T128-Q145 PolarHBondContact O-N 3.18Å; Q145-V281 HydrophobicContact CB-CG2 4.42Å; Q145-V281 HydrophobicContact CG-CG2 4.16Å
146S89Confident76.5Confident18 Ų1854.6 Ų54.613%0.12627%0.269CS..  trans-105.2154.717348.10000111.9T279 E280S146-T279 WeakPolarHBondContact O-CB 3.39Å; S146-T279 WeakPolarHBondContact O-CG2 3.48Å; S146-E280 PolarHBondContact N-O 2.88Å; S146-E280 WeakPolarHBondContact OG-CA 3.36Å; S146-E280 WeakPolarHBondContact OG-CB 3.22Å; S146-E280 PolarHBondContact OG-N 3.17Å; S146-E280 PolarHBondContact OG-O 2.77Å
147V84.9Confident73.7Confident15 Ų1557.8 Ų57.89%0.09129%0.291CS..  trans-74.4165.5169.4-58.10000111.7D125 G126 Y149 Q151 A152D125-V147 HydrophobicContact CB-CG1 4.49Å; D125-V147 HydrophobicContact CB-CG2 3.92Å; D125-V147 WeakPolarHBondContact O-CG1 3.48Å; D125-V147 WeakPolarHBondContact OD2-CG2 3.34Å; G126-V147 VanDerWaalsContact C-CG1 3.4Å; V147-Y149 PolarHBondContact O-N 2.81Å; V147-Q151 HydrophobicContact CB-CB 4.49Å; V147-Q151 HydrophobicContact CG2-CB 4.09Å; V147-Q151 HydrophobicContact CG2-CG 4.28Å; V147-A152 HydrophobicContact CG2-CB 4.04Å
148P78.1Confident70.9Confident31 Ų3160.2 Ų60.220%0.20132%0.316CS..  trans-48.9136.9174.1-32.839.5000112.5H150 Q151 A152 G276 S277 T279P148-H150 PolarHBondContact O-N 3.09Å; P148-H150 VanDerWaalsContact O-N 3.08Å; P148-Q151 HydrophobicContact CB-CB 4.49Å; P148-Q151 WeakPolarHBondContact O-CA 3.47Å; P148-Q151 WeakPolarHBondContact O-CB 3.25Å; P148-Q151 PolarHBondContact O-N 3.34Å; P148-A152 PolarHBondContact O-N 3.34Å; P148-G276 CarbonylContact C-O 3.6Å; P148-S277 WeakPolarHBondContact CB-O 3.38Å; P148-T279 HydrophobicContact CG-CG2 3.94Å
149Y61.6Low68Low90 Ų9071.6 Ų71.635%0.35336%0.359SS..Hα-helixtrans-54.8-31-175.8-174.8-104.6000114V147 A153 R156 I274 G276 A278V147-Y149 PolarHBondContact O-N 2.81Å; Y149-A153 WeakPolarHBondContact O-CB 3.31Å; Y149-A153 PolarHBondContact O-N 2.82Å; Y149-R156 PolarHBondContact OH-NH2 3.4Å; Y149-R156 VanDerWaalsContact OH-NH2 3.09Å; Y149-I274 HydrophobicContact CD1-CB 4.03Å; Y149-I274 HydrophobicContact CD1-CG2 3.48Å; Y149-I274 VanDerWaalsContact CD1-CG2 3.48Å; Y149-I274 HydrophobicContact CD2-CG2 3.8Å; Y149-I274 HydrophobicContact CE1-CB 4.08Å; Y149-I274 HydrophobicContact CE1-CD1 4.44Å; Y149-I274 HydrophobicContact CE1-CG2 3.94Å; Y149-I274 HydrophobicContact CE2-CD1 4.15Å; Y149-I274 HydrophobicContact CE2-CG2 4.24Å; Y149-I274 HydrophobicContact CG-CB 4.4Å; Y149-I274 HydrophobicContact CG-CG2 3.39Å; Y149-G276 CarbonylContact C-O 3.47Å; Y149-G276 WeakPolarHBondContact CA-O 3.47Å; Y149-G276 PolarHBondContact N-O 3.45Å; Y149-A278 PolarHBondContact N-O 3.06Å
150H54.8Low65.5Low90 Ų9073 Ų7342%0.41736%0.362SS..Hα-helixtrans-65.3-39.1173.965.264000111.6P148 A153 L154 G276P148-H150 PolarHBondContact O-N 3.09Å; P148-H150 VanDerWaalsContact O-N 3.08Å; H150-A153 PolarHBondContact O-N 2.74Å; H150-L154 WeakPolarHBondContact O-CB 3.48Å; H150-L154 WeakPolarHBondContact O-CG 3.36Å; H150-L154 PolarHBondContact O-N 3.15Å; H150-G276 WeakPolarHBondContact CB-O 3.3Å; H150-G276 PolarHBondContact CD2-O 2.9Å; H150-G276 PolarHBondContact N-O 3.26Å
151Q54Low62.6Low83 Ų8377.6 Ų77.639%0.38839%0.387SS..Hα-helixtrans-73.4-41.3-179.7-168.1167.9-600110.2D125 V147 P148 A153 L154 L155D125-Q151 PolarHBondContact O-NE2 2.93Å; V147-Q151 HydrophobicContact CB-CB 4.49Å; V147-Q151 HydrophobicContact CG2-CB 4.09Å; V147-Q151 HydrophobicContact CG2-CG 4.28Å; P148-Q151 HydrophobicContact CB-CB 4.49Å; P148-Q151 WeakPolarHBondContact O-CA 3.47Å; P148-Q151 WeakPolarHBondContact O-CB 3.25Å; P148-Q151 PolarHBondContact O-N 3.34Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.44Å; Q151-L154 PolarHBondContact O-N 2.77Å; Q151-L155 PolarHBondContact O-N 3.26Å
152A49.1Very low59.9Low38 Ų3876.1 Ų76.131%0.31439%0.388SS..Hα-helixtrans-64.3-26.7169.300000113.3V147 P148V147-A152 HydrophobicContact CG2-CB 4.04Å; P148-A152 PolarHBondContact O-N 3.34Å
153A44.1Very low57.6Low29 Ų2978.1 Ų78.124%0.2440%0.398CS..Hα-helixtrans-84.1-31.9176.700000113.6Y149 H150 Q151 R156Y149-A153 WeakPolarHBondContact O-CB 3.31Å; Y149-A153 PolarHBondContact O-N 2.82Å; H150-A153 PolarHBondContact O-N 2.74Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.44Å; A153-R156 VanDerWaalsContact O-CB 3.26Å; A153-R156 WeakPolarHBondContact O-CB 3.4Å; A153-R156 VanDerWaalsContact O-CD 3.3Å; A153-R156 WeakPolarHBondContact O-CD 3.5Å; A153-R156 WeakPolarHBondContact O-CG 3.49Å; A153-R156 PolarHBondContact O-N 3.02Å
154L41.1Very low55.2Low147 Ų14781.5 Ų81.577%0.7742%0.416SS*.Hα-helixtrans-73.9-31.8176.6-73.2166.1000112H150 Q151 R156H150-L154 WeakPolarHBondContact O-CB 3.48Å; H150-L154 WeakPolarHBondContact O-CG 3.36Å; H150-L154 PolarHBondContact O-N 3.15Å; Q151-L154 PolarHBondContact O-N 2.77Å; L154-R156 PolarHBondContact O-N 3.07Å
155L43.6Very low53.1Low83 Ų8380.6 Ų80.644%0.43541%0.414SS..THydrogen-bonded Turntrans-80.215.1173.9-70.5167.8000114.1D125 Q151 S157D125-L155 HydrophobicContact CB-CD1 3.42Å; D125-L155 VanDerWaalsContact CB-CD1 3.42Å; Q151-L155 PolarHBondContact O-N 3.26Å; L155-S157 PolarHBondContact O-N 3.09Å
156R38.7Very low51.1Low140 Ų14076.1 Ų76.153%0.52840%0.396SS..  trans-69.955.7172.2-72.3176.9178170.31.6113.3Y149 A153 L154 T161Y149-R156 PolarHBondContact OH-NH2 3.4Å; Y149-R156 VanDerWaalsContact OH-NH2 3.09Å; A153-R156 VanDerWaalsContact O-CB 3.26Å; A153-R156 WeakPolarHBondContact O-CB 3.4Å; A153-R156 VanDerWaalsContact O-CD 3.3Å; A153-R156 WeakPolarHBondContact O-CD 3.5Å; A153-R156 WeakPolarHBondContact O-CG 3.49Å; A153-R156 PolarHBondContact O-N 3.02Å; L154-R156 PolarHBondContact O-N 3.07Å; R156-T161 HydrophobicContact CG-CG2 4.33Å
157S33.8Very low49.5Very low66 Ų6679.9 Ų79.946%0.46241%0.411SS..  trans-55.3138.8146.166.10000108.4L155 R159 R160L155-S157 PolarHBondContact O-N 3.09Å; S157-R159 PolarHBondContact O-N 2.75Å; S157-R160 PolarHBondContact O-N 3.02Å
158P35Very low48Very low141 Ų14179.2 Ų79.292%0.91641%0.407SS*.THydrogen-bonded Turntrans-65.517.5-176.8-24.635.1000116.4
159R37.3Very low46.6Very low240 Ų24081.1 Ų81.191%0.90642%0.416SS*.THydrogen-bonded Turntrans-129.8-7.8-173.7-78.5-173.4159.2-178.7-6.5115.4S157S157-R159 PolarHBondContact O-N 2.75Å
160R44.2Very low45.7Very low84 Ų8480.9 Ų80.932%0.31743%0.425SS..  trans-143.185.6-179.4-95.8179.5173.3-101.4-6.8112.7S157S157-R160 PolarHBondContact O-N 3.02Å
161T38Very low45.2Very low114 Ų11479.2 Ų79.270%0.69942%0.422SS*.  trans-12314.4163.962.40000111.4R156R156-T161 HydrophobicContact CG-CG2 4.33Å
162S43.1Very low44.6Very low45 Ų4580.9 Ų80.932%0.31544%0.438SS..  trans-80128.2-155.650.90000112.6D164S162-D164 WeakPolarHBondContact CB-OD2 3.33Å; S162-D164 PolarHBondContact O-N 3.01Å; S162-D164 VanDerWaalsContact O-N 3.08Å; S162-D164 PolarHBondContact OG-O 2.9Å
163L48.3Very low43.5Very low43 Ų4383.7 Ų83.723%0.22545%0.453CS..SBendtrans-75.441.6150.8-67.1167.5000109.2R138 D289 N312R138-L163 PolarHBondContact NH2-O 2.81Å; L163-D289 WeakPolarHBondContact O-CB 3.44Å; L163-D289 VanDerWaalsContact O-O 3.06Å; L163-N312 HydrophobicContact CD1-CB 4.28Å
164D48.7Very low42.9Very low81 Ų8187.5 Ų87.543%0.43348%0.475SS..SBendtrans-135.1134.3-179.8-43.5-67.2000106.1S162S162-D164 WeakPolarHBondContact CB-OD2 3.33Å; S162-D164 PolarHBondContact O-N 3.01Å; S162-D164 VanDerWaalsContact O-N 3.08Å; S162-D164 PolarHBondContact OG-O 2.9Å
165S53.5Low42.4Very low11 Ų1184.5 Ų84.58%0.07747%0.465CS..  trans-66.9160.5-174.658.10000112.4G136 H167G136-S165 PolarHBondContact O-OG 2.84Å; S165-H167 PolarHBondContact O-N 3.48Å; S165-H167 VanDerWaalsContact O-N 3.13Å; S165-H167 PolarHBondContact OG-CE1 3.2Å; S165-H167 PolarHBondContact OG-ND1 3.09Å
166G52.7Low41.7Very low10 Ų1086.3 Ų86.310%0.10348%0.482CS..  trans-75.697.7163.500000110.8L104 Q115 E121 S168L104-G166 VanDerWaalsContact CD2-CA 3.43Å; Q115-G166 PolarHBondContact NE2-O 3.15Å; E121-G166 PolarHBondContact OE1-N 2.86Å; G166-S168 PolarHBondContact O-N 2.91Å
167H55.6Low41.3Very low96 Ų9687.5 Ų87.544%0.44450%0.498SS..PPolyproline II helixtrans-62128.7168.3-55.9-30000109.5G136 S165G136-H167 PolarHBondContact O-ND1 2.93Å; G136-H167 VanDerWaalsContact O-ND1 3.17Å; S165-H167 PolarHBondContact O-N 3.48Å; S165-H167 VanDerWaalsContact O-N 3.13Å; S165-H167 PolarHBondContact OG-CE1 3.2Å; S165-H167 PolarHBondContact OG-ND1 3.09Å
168S52.1Low41.1Very low1 Ų190.3 Ų90.31%0.00751%0.514CS..PPolyproline II helixtrans-66.3138.9156.863.20000107.8K92 G113 G166K92-S168 PolarHBondContact NZ-OG 2.81Å; G113-S168 PolarHBondContact O-OG 2.98Å; G166-S168 PolarHBondContact O-N 2.91Å
169D49.9Very low41Very low72 Ų7291.1 Ų91.139%0.38551%0.51SS..PPolyproline II helixtrans-49.2136.6172.5-57.4-65.2000109R80 W81R80-D169 IonicContact NH2-OD1 3.67Å; R80-D169 PolarHBondContact NH2-OD1 2.82Å; R80-D169 IonicContact NH2-OD2 3.56Å; R80-D169 PolarHBondContact NH2-OD2 2.85Å; W81-D169 PolarHBondContact NE1-OD2 2.87Å
170P43.1Very low40.9Very low85 Ų8585.9 Ų85.955%0.55251%0.507SS*.PPolyproline II helixtrans-56.5153.5179.125.2-35000110.2F114 T172F114-P170 HydrophobicContact CE1-CB 4.21Å; F114-P170 HydrophobicContact CZ-CB 3.86Å; P170-T172 PolarHBondContact O-N 2.85Å; P170-T172 VanDerWaalsContact O-N 3.16Å
171P43.9Very low40.4Very low54 Ų5485.4 Ų85.435%0.35153%0.529SS..PPolyproline II helixtrans-54.9127.1172.225.1-33.1000108.7L91 P173L91-P171 HydrophobicContact CD2-CB 3.75Å; L91-P171 HydrophobicContact CD2-CG 4.31Å; P171-P173 WeakPolarHBondContact O-CD 3.47Å; P171-P173 VanDerWaalsContact O-N 3.13Å
172T40.8Very low40Very low119 Ų11988 Ų8873%0.7354%0.538SS*.PPolyproline II helixtrans-59.6119.3175.4-39.30000107.4P170P170-T172 PolarHBondContact O-N 2.85Å; P170-T172 VanDerWaalsContact O-N 3.16Å
173P26.5Very low40Very low96 Ų9695.2 Ų95.262%0.62357%0.567SS**PPolyproline II helixtrans-64.6149.1176.327.8-34.1000109.2P171P171-P173 WeakPolarHBondContact O-CD 3.47Å; P171-P173 VanDerWaalsContact O-N 3.13Å
174P31Very low39.5Very low109 Ų10997.3 Ų97.371%0.70860%0.598SS**PPolyproline II helixtrans-57.5137.8163.927.5-33.2000108.2
175P31.5Very low38.3Very low84 Ų8497.1 Ų97.155%0.54562%0.616SS.*PPolyproline II helixtrans-61.8147.4-179.925.7-33.7000110.6
176P28.1Very low37.3Very low121 Ų121101.9 Ų101.979%0.78665%0.649SS**PPolyproline II helixtrans-61.1148.2171.727.7-34.1000110.3
177L30.1Very low36.5Very low166 Ų166105.1 Ų105.187%0.86967%0.668SS**PPolyproline II helixtrans-54131.3-179.2-68.5167.3000111L179L177-L179 PolarHBondContact O-N 2.74Å
178P30.6Very low35.4Very low124 Ų124104.5 Ų104.581%0.80568%0.68SS**PPolyproline II helixtrans-66.2131.1176-18.331000111.1
179L32Very low34.7Very low158 Ų158107.7 Ų107.783%0.82770%0.702SS**PPolyproline II helixtrans-70149.4156.6-72.7168.1000108.9L177 G181L177-L179 PolarHBondContact O-N 2.74Å; L179-G181 PolarHBondContact O-N 3.17Å
180P34.9Very low33.8Very low131 Ų131107.3 Ų107.385%0.85172%0.715SS**SBendtrans-73.8114.1-171.328.2-34.2000112
181G34.5Very low33.4Very low74 Ų74108.2 Ų108.276%0.76372%0.724SS**  trans115.791.3161.500000115.9L179L179-G181 PolarHBondContact O-N 3.17Å
182D28.7Very low33.4Very low167 Ų167109.7 Ų109.789%0.89372%0.722SS**  -158.8148.2122.2-148.5-1.3000109.5
183E42.8Very low32.9Very low198 Ų198106 Ų10693%0.92571%0.708SS**  trans-91132.6178.9-72.7-157.2115.800112.1
184G38Very low33.3Very low86 Ų86103 Ų10389%0.88769%0.694SS**  trans12381.3165.800000116
185G25.1Very low33.8Very low78 Ų78104.5 Ų104.580%0.80469%0.69SS**  trans-175.2135.3170.500000113.5
186S30.6Very low34.9Very low111 Ų111103.3 Ų103.378%0.77668%0.681SS**  trans-69.2139.8-167.4-49.20000115.4A188S186-A188 PolarHBondContact O-N 3.46Å
187P36.4Very low36.6Very low77 Ų7798.4 Ų98.450%0.565%0.648SS.*  trans-91.371.1-173.637.4-36.8000113.8S189P187-S189 PolarHBondContact O-N 2.98Å
188A33.3Very low37.6Very low84 Ų8493.5 Ų93.569%0.69463%0.631SS**THydrogen-bonded Turntrans-97.138.2179.700000114.8S186S186-A188 PolarHBondContact O-N 3.46Å
189S37.1Very low38Very low68 Ų6888.9 Ų88.948%0.47661%0.607SS.*THydrogen-bonded Turntrans-162.348.2167.4-165.80000113.4P187 S191P187-S189 PolarHBondContact O-N 2.98Å; S189-S191 VanDerWaalsContact C-N 3.32Å; S189-S191 PolarHBondContact O-N 3.43Å
190G31.6Very low38.4Very low63 Ų6387.3 Ų87.365%0.64961%0.606SS**  trans-71.880.9173.500000112.2R192G190-R192 VanDerWaalsContact C-N 3.31Å; G190-R192 PolarHBondContact O-N 3.17Å
191S34.2Very low38.5Very low105 Ų10584 Ų8473%0.73460%0.595SS**  trans-72.388.3170.5-168.60000109.3S189 G193S189-S191 VanDerWaalsContact C-N 3.32Å; S189-S191 PolarHBondContact O-N 3.43Å; S191-G193 PolarHBondContact O-N 3.45Å
192R43.1Very low38.5Very low84 Ų8488.6 Ų88.632%0.31760%0.602SS.*  trans-63.389.4156.3-83.8-171.4178.2-173.81.5107F9 D11 G190 G194 F195F9-R192 VanDerWaalsContact CE2-NH1 3.34Å; D11-R192 IonicContact OD1-NH2 2.69Å; D11-R192 IonicContact OD2-CZ 3.65Å; D11-R192 IonicContact OD2-NE 3.64Å; D11-R192 IonicContact OD2-NH2 2.68Å; D11-R192 PolarHBondContact OD2-NH2 2.87Å; G190-R192 VanDerWaalsContact C-N 3.31Å; G190-R192 PolarHBondContact O-N 3.17Å; R192-G194 PolarHBondContact O-N 3.09Å; R192-F195 HydrophobicContact CB-CD2 4.02Å; R192-F195 HydrophobicContact CB-CE2 4.31Å; R192-F195 HydrophobicContact CG-CD2 4.06Å; R192-F195 HydrophobicContact CG-CE2 4.23Å
193G31.3Very low38.7Very low43 Ų4385.6 Ų85.644%0.44360%0.601SS.*  trans-54.1129164.900000107.6S191 F195S191-G193 PolarHBondContact O-N 3.45Å; G193-F195 WeakPolarHBondContact O-CD2 3.42Å; G193-F195 WeakPolarHBondContact O-CE2 3.32Å; G193-F195 PolarHBondContact O-N 3.36Å
194G34.1Very low38.3Very low32 Ų3284.4 Ų84.433%0.3360%0.601SS.*  trans-41.5100.1-158.600000114.9R192R192-G194 PolarHBondContact O-N 3.09Å
195F40.9Very low38Very low141 Ų14183.8 Ų83.862%0.61859%0.594SS**  trans-85.7124.3168.7-67.8-77.5000107.5R192 G193 L197R192-F195 HydrophobicContact CB-CD2 4.02Å; R192-F195 HydrophobicContact CB-CE2 4.31Å; R192-F195 HydrophobicContact CG-CD2 4.06Å; R192-F195 HydrophobicContact CG-CE2 4.23Å; G193-F195 WeakPolarHBondContact O-CD2 3.42Å; G193-F195 WeakPolarHBondContact O-CE2 3.32Å; G193-F195 PolarHBondContact O-N 3.36Å; F195-L197 PolarHBondContact O-N 3.39Å
196V55.8Low38.3Very low58 Ų5884.9 Ų84.935%0.35260%0.596SS.*  trans-61107.8168.5176.30000107R23 F47 A198R23-V196 HydrophobicContact CG-CG1 3.93Å; F47-V196 HydrophobicContact CE1-CG2 4.21Å; F47-V196 HydrophobicContact CE2-CG2 3.71Å; F47-V196 HydrophobicContact CZ-CG2 3.43Å; F47-V196 VanDerWaalsContact CZ-CG2 3.43Å; V196-A198 PolarHBondContact O-N 2.7Å
197L62.7Low38.4Very low19 Ų1984.6 Ų84.610%0.09959%0.594CS.*  trans-64104174.6-67-176.1000108.5F9 Y15 R23 A24 W43 F195F9-L197 HydrophobicContact CE1-CD2 3.66Å; F9-L197 HydrophobicContact CZ-CD1 4.34Å; F9-L197 HydrophobicContact CZ-CD2 3.64Å; Y15-L197 HydrophobicContact CD2-CD1 4.09Å; Y15-L197 HydrophobicContact CG-CD1 4.26Å; R23-L197 WeakPolarHBondContact CA-O 3.46Å; A24-L197 HydrophobicContact CB-CB 3.94Å; A24-L197 HydrophobicContact CB-CD1 4.07Å; A24-L197 PolarHBondContact N-O 3.46Å; W43-L197 HydrophobicContact CE3-CD1 4.3Å; W43-L197 HydrophobicContact CH2-CD1 3.83Å; W43-L197 HydrophobicContact CZ3-CD1 3.61Å; W43-L197 HydrophobicContact CZ3-CG 4.36Å; F195-L197 PolarHBondContact O-N 3.39Å
198A52.9Low38.2Very low62 Ų6286.5 Ų86.551%0.51261%0.609SS.*BIsolated β-bridgetrans-110.1130.2176.600000109.7G22 V196G22-A198 CarbonylContact O-C 3.53Å; G22-A198 VanDerWaalsContact O-CA 3.27Å; G22-A198 WeakPolarHBondContact O-CA 3.23Å; V196-A198 PolarHBondContact O-N 2.7Å
199G38.3Very low38.1Very low28 Ų2893.8 Ų93.829%0.28962%0.619SS.*  trans-77.8163.5179.300000112.8G22 G201G22-G199 PolarHBondContact O-N 2.89Å; G199-G201 PolarHBondContact O-N 2.89Å; G199-G201 VanDerWaalsContact O-N 3.15Å
200P41.3Very low37.8Very low124 Ų124100.3 Ų100.381%0.80564%0.639SS**SBendtrans-79.599.7177.630.5-26.4000109.7F7F7-P200 HydrophobicContact CE2-CG 4.36Å
201G35.8Very low37.6Very low61 Ų61109.1 Ų109.163%0.62965%0.652SS**  trans-164.3123.8173.600000110.1G199G199-G201 PolarHBondContact O-N 2.89Å; G199-G201 VanDerWaalsContact O-N 3.15Å
202D34.6Very low37.4Very low171 Ų171110.5 Ų110.591%0.91466%0.657SS**  trans60.273.3175.7-54.6-19.5000116.8
203A33.6Very low38Very low105 Ų105112.3 Ų112.387%0.86868%0.679SS**  trans-10183.416100000110.5G205A203-G205 PolarHBondContact O-N 3.18Å
204D33.5Very low37.8Very low172 Ų172114.7 Ų114.792%0.9269%0.694SS**  trans-77.5108.8175.3-113.8-24.5000111.7
205G32.3Very low37.5Very low73 Ų73119.8 Ų119.875%0.75372%0.719SS**  trans49.1102.8149.300000121.5A203A203-G205 PolarHBondContact O-N 3.18Å
206A31.5Very low36.8Very low101 Ų101116.8 Ų116.884%0.83573%0.729SS**  trans-157.6105.5139.300000115.2
207S31.8Very low35.4Very low106 Ų106116.9 Ų116.974%0.74174%0.741SS**  trans44.5101.11411750000120.4
208S31.7Very low33.9Very low116 Ų116125 Ų12581%0.81178%0.776SS**  trans-64.7136.9157.460.70000113.4
209R31.9Very low32.8Very low237 Ų237131.7 Ų131.789%0.89479%0.794SS**  trans-139.8109.1155.9-105.2-179.4-173.7171.54.7112.3
210K31.2Very low32.3Very low206 Ų206141.1 Ų141.190%0.89682%0.82SS**  trans-68.4139.8165.2-71.5176.9174.9176.20110
211R27.8Very low31.7Very low247 Ų247146.1 Ų146.193%0.93282%0.823SS**  trans-157.6123.5157.3-122.8177.2174.4-171.2-4112.5
212T29.3Very low31.3Very low135 Ų135149.1 Ų149.183%0.82884%0.835SS**  trans-153.1173.2166.655.60000106.4
213P55.1Low31.1Very low121 Ų121147 Ų14779%0.78682%0.823SS**  cis-127.2170.2-29.830.4-12.7000112.5
214A27.8Very low31.1Very low93 Ų93150.6 Ų150.677%0.76983%0.827SS**  trans-178.5153154.400000110.6
215T28Very low30.9Very low139 Ų139149.3 Ų149.385%0.85382%0.819SS**  cis-165.6140-25.5-740000107.8
216G25.7Very low30.7Very low79 Ų79151.7 Ų151.781%0.81482%0.824SS**  trans85.5146.1160.100000117.3
217G27.8Very low30.5Very low59 Ų59150 Ų15061%0.60882%0.816SS**  cis166.1143.2-9.800000113.6
218F29.8Very low30.4Very low190 Ų190153.7 Ų153.783%0.83383%0.826SS**  trans62.9142.1167.1-53.8-84.6000116.2
219F29.2Very low30.4Very low203 Ų203159.5 Ų159.589%0.8983%0.831SS**  cis-135.5169.438.8-101.8-98.2000115.3
220R28.5Very low30.2Very low225 Ų225153 Ų15385%0.84983%0.828SS**  trans-95.9149.1-179.4-70.1-179.7168-151.9-2.8112.9
221R29.2Very low30Very low229 Ų229147.3 Ų147.386%0.86483%0.828SS**  trans16.7130.7145.2-65.3-179.9174.3177.2-2.9118.3
222S27.4Very low30Very low125 Ų125138.8 Ų138.887%0.87482%0.817SS**  -129.3141.5124.5600000110.2
223L30.2Very low30Very low125 Ų125143.6 Ų143.665%0.65482%0.82SS**  trans-101.7142.7172.3-75.1148.7000107.2L225L223-L225 HydrophobicContact CD2-CD1 4.36Å
224L33.2Very low28.8Very low182 Ų182148.3 Ų148.395%0.95382%0.822SS**  trans-124.5133.2146.5-82.7176.1000109.4
225L29.7Very low28.9Very low145 Ų145149.2 Ų149.276%0.75982%0.823SS**  trans-102.5166.4-171.1-123.474.6000110.5L223L223-L225 HydrophobicContact CD2-CD1 4.36Å
226S27.5Very low28.9Very low122 Ų122148 Ų14885%0.85382%0.82SS**  trans74.7125.5168.1-153.30000115.3
227G27Very low29Very low65 Ų65152.7 Ų152.767%0.6783%0.825SS**  cis123.3134.7-1.500000112.2
228L30.4Very low29Very low184 Ų184153.9 Ų153.996%0.96384%0.837SS**  trans-157.3138.1160-111.4157.6000109.9
229R31.1Very low29Very low238 Ų238150.7 Ų150.790%0.89884%0.838SS**  trans-95.6144.3-170.7-107.7-180178.7173.3-0.2111.8
230A28.3Very low29Very low101 Ų101150.6 Ų150.684%0.83584%0.838SS**  trans36.1116136.200000119.9
231G26.2Very low29Very low87 Ų87151.6 Ų151.690%0.89784%0.842SS**  trans-131.1112.2152.100000109.5
232G28Very low28.9Very low68 Ų68144.1 Ų144.170%0.70184%0.836SS**  trans-134.2127.4-178.300000113.1
233R29.2Very low28.8Very low235 Ų235143.8 Ų143.889%0.88783%0.833SS**  trans-179.2112.9152.9-100.2154.6-177.6-112.40.9107.9
234R30.6Very low28.8Very low221 Ų221146 Ų14683%0.83485%0.845SS**  83.695.291.2-79.5-171.7-178.7-112.40.8114.7
235S29.4Very low28.6Very low112 Ų112149 Ų14978%0.78384%0.843SS**  trans46.4113.7133.260.90000121
236S28.1Very low28.6Very low114 Ų114147.7 Ų147.780%0.79785%0.847SS**  trans-147.5108.8142.761.20000112.3
237L29.2Very low28.6Very low177 Ų177150.8 Ų150.893%0.92785%0.848SS**  trans29.8105141.3-62.3164.1000119.6
238G27.9Very low28.8Very low83 Ų83154.4 Ų154.486%0.85686%0.857SS**  61.9109.5122.300000121.3
239S29.1Very low28.7Very low123 Ų123150.7 Ų150.786%0.8685%0.846SS**  trans-150.3130.8132.1-168.60000112
240K29.3Very low28.7Very low202 Ų202145.2 Ų145.288%0.87884%0.844SS**  trans-111.9119.3169.8-73.5176.1178.1172.60108.4
241R28.8Very low28.8Very low246 Ų246149.2 Ų149.293%0.92885%0.846SS**  trans-171.8141.2150.3-103.2160.7-165.3-117.16.3107.5
242G26.3Very low29.1Very low72 Ų72152 Ų15274%0.74285%0.845SS**  cis102.970.112.900000110.6
243S26.4Very low29.2Very low118 Ų118152.4 Ų152.483%0.82585%0.849SS**  trans-111.878.4-172.8-179.30000112.6
244L29.1Very low29.2Very low171 Ų171147.1 Ų147.190%0.89585%0.848SS**  trans-15285.4155.7-79.3-173.2000109.4
245R28.7Very low29.4Very low244 Ų244143.5 Ų143.592%0.92185%0.85SS**  trans-146.3121.8155.7-75.4-159.6173.1-149.8-3109.1
246S29.2Very low29.3Very low119 Ų119141.5 Ų141.583%0.83285%0.848SS**  trans-79.7138.4156.248.20000108.1
247E28.8Very low30Very low186 Ų186142.2 Ų142.287%0.86985%0.85SS**  trans-79.3148.3-175.4-59.3176.5139.400111.2
248V31.1Very low30.7Very low142 Ų142140.1 Ų140.186%0.86185%0.847SS**  trans-139.4109.9153.859.60000106.5
249S29.2Very low30.8Very low105 Ų105139.8 Ų139.873%0.73484%0.843SS**  trans-80.9137.2170.9-67.60000109.3
250S30.1Very low31Very low124 Ų124140 Ų14087%0.86785%0.845SS**  trans-99121.1171.955.70000110
251E30.4Very low31.3Very low185 Ų185139.3 Ų139.386%0.86485%0.845SS**  trans-128.5143.6168.260.4-159.9129.600109.8
252V33.5Very low31.4Very low146 Ų146132.4 Ų132.489%0.88584%0.84SS**  trans-118.2123.9-167.653.90000110.9
253G30.1Very low31.9Very low76 Ų76135.4 Ų135.478%0.78485%0.85SS**  trans68.611414900000119.3
254S28.1Very low32.2Very low124 Ų124132.7 Ų132.787%0.86784%0.841SS**  -160.5170.1116.4-157.40000111.7
255T34.5Very low32.6Very low144 Ų144130.4 Ų130.488%0.88384%0.836SS**  trans-97.1150.7-164.443.60000114.7
256G28.5Very low33.2Very low71 Ų71125.1 Ų125.173%0.73283%0.833SS**  trans-171.2145.417100000112.7
257P41.5Very low33.4Very low128 Ų128123.9 Ų123.983%0.83183%0.83SS**  trans-90.6171.8-165.337.3-37.7000115.2
258P45.4Very low33.9Very low134 Ų134119.8 Ų119.887%0.8783%0.828SS**  trans-90.5156-160.835.7-36.2000115.3
259G29.1Very low34.1Very low75 Ų75116.9 Ų116.977%0.77382%0.819SS**  trans-164.3108174.300000116
260S32.3Very low34.3Very low129 Ų129117.1 Ų117.190%0.90282%0.818SS**  trans64.6163.9154.1-143.80000121.1
261E35.9Very low34.9Very low187 Ų187117.2 Ų117.287%0.87482%0.816SS**  trans-101147.4-158.3-55.2173.7107.400113.9
262A31.9Very low35.8Very low101 Ų101111.8 Ų111.884%0.83580%0.802SS**  trans-160.1118149.100000110.9G264A262-G264 PolarHBondContact O-N 2.83Å
263S35.5Very low36.4Very low135 Ų135112.7 Ų112.794%0.94480%0.801SS**  trans-85.2104.8-177.230.80000112.6
264G33.8Very low37.4Very low61 Ų61112.8 Ų112.863%0.62978%0.783SS**PPolyproline II helixtrans-83.2161.8169.600000113.4A262A262-G264 PolarHBondContact O-N 2.83Å
265P38.3Very low38.8Very low123 Ų123112.4 Ų112.480%0.79977%0.768SS**PPolyproline II helixtrans-64.5148.4177.328.8-35.2000111.2A267P265-A267 PolarHBondContact O-N 3.35Å; P265-A267 VanDerWaalsContact O-N 3.13Å
266P39.3Very low39.9Very low132 Ų132106.9 Ų106.986%0.85774%0.74SS**PPolyproline II helixtrans-60.9120.2-175.324.2-33.7000110.8
267A34.1Very low42Very low94 Ų94106.3 Ų106.378%0.77773%0.725SS**PPolyproline II helixtrans-57.1142.3175.300000110.3P265 A269P265-A267 PolarHBondContact O-N 3.35Å; P265-A267 VanDerWaalsContact O-N 3.13Å; A267-A269 PolarHBondContact O-N 2.91Å
268A38.6Very low43.8Very low99 Ų99100.7 Ų100.782%0.81869%0.688SS**PPolyproline II helixtrans-56.4125.2176.500000109.6
269A36.1Very low45.8Very low82 Ų8296 Ų9668%0.67866%0.658SS**PPolyproline II helixtrans-50.6134.1-177.200000110.5A267A267-A269 PolarHBondContact O-N 2.91Å
270P33.6Very low48.8Very low110 Ų11094 Ų9471%0.71463%0.628SS**PPolyproline II helixtrans-57.1148.6-17924.2-33.7000109.9A272P270-A272 PolarHBondContact O-N 2.86Å
271P43.4Very low51.8Low126 Ų12690.5 Ų90.582%0.81860%0.601SS**  trans-56.9113.4175.225.2-33.2000107.8L273P271-L273 PolarHBondContact O-N 2.91Å
272A47.5Very low54.7Low70 Ų7081.6 Ų81.658%0.57956%0.56SS**  trans-45.4116.8-168.900000110.3P270 I274P270-A272 PolarHBondContact O-N 2.86Å; A272-I274 PolarHBondContact O-N 3.04Å; A272-I274 VanDerWaalsContact O-N 3.15Å
273L46.1Very low57.9Low165 Ų16577.1 Ų77.186%0.86452%0.523SS*.  trans-46124.4177.2-91.2155.2000107.6P271 E275P271-L273 PolarHBondContact O-N 2.91Å; L273-E275 PolarHBondContact O-N 3.28Å
274I52.6Low60.9Low78 Ų7870.7 Ų70.740%0.448%0.478SS..  trans-73.190.7175.9-52.8176.2000105.8Y149 A272 G276Y149-I274 HydrophobicContact CD1-CB 4.03Å; Y149-I274 HydrophobicContact CD1-CG2 3.48Å; Y149-I274 VanDerWaalsContact CD1-CG2 3.48Å; Y149-I274 HydrophobicContact CD2-CG2 3.8Å; Y149-I274 HydrophobicContact CE1-CB 4.08Å; Y149-I274 HydrophobicContact CE1-CD1 4.44Å; Y149-I274 HydrophobicContact CE1-CG2 3.94Å; Y149-I274 HydrophobicContact CE2-CD1 4.15Å; Y149-I274 HydrophobicContact CE2-CG2 4.24Å; Y149-I274 HydrophobicContact CG-CB 4.4Å; Y149-I274 HydrophobicContact CG-CG2 3.39Å; A272-I274 PolarHBondContact O-N 3.04Å; A272-I274 VanDerWaalsContact O-N 3.15Å; I274-G276 PolarHBondContact O-N 3.02Å
275E56.2Low64Low116 Ų11669.9 Ų69.954%0.54246%0.457SS..  trans-50.6128.1172.9-165.5178.6-169.700108.5L273 S277 A278L273-E275 PolarHBondContact O-N 3.28Å; E275-S277 PolarHBondContact O-N 3.38Å; E275-S277 VanDerWaalsContact O-N 3.08Å; E275-A278 VanDerWaalsContact O-CB 3.29Å; E275-A278 WeakPolarHBondContact O-CB 3.13Å; E275-A278 PolarHBondContact O-N 3.39Å
276G59.1Low66.8Low29 Ų2964.2 Ų64.230%0.29942%0.42SS..THydrogen-bonded Turntrans-57.7-31-169.800000112.8P148 Y149 H150 I274 A278P148-G276 CarbonylContact C-O 3.6Å; Y149-G276 CarbonylContact C-O 3.47Å; Y149-G276 WeakPolarHBondContact CA-O 3.47Å; Y149-G276 PolarHBondContact N-O 3.45Å; H150-G276 WeakPolarHBondContact CB-O 3.3Å; H150-G276 PolarHBondContact CD2-O 2.9Å; H150-G276 PolarHBondContact N-O 3.26Å; I274-G276 PolarHBondContact O-N 3.02Å; G276-A278 VanDerWaalsContact C-N 3.25Å; G276-A278 PolarHBondContact O-N 2.94Å
277S71.3Confident69.6Low59 Ų5965.6 Ų65.641%0.41341%0.408SS..THydrogen-bonded Turntrans-71.7-13.1179.552.60000114.1P148 E275 T279P148-S277 WeakPolarHBondContact CB-O 3.38Å; E275-S277 PolarHBondContact O-N 3.38Å; E275-S277 VanDerWaalsContact O-N 3.08Å; S277-T279 PolarHBondContact O-N 3.02Å
278A79.9Confident72.5Confident9 Ų963.2 Ų63.27%0.07439%0.389CS..  trans-70.8126.5-167.400000113.4Y149 E275 G276 S300Y149-A278 PolarHBondContact N-O 3.06Å; E275-A278 VanDerWaalsContact O-CB 3.29Å; E275-A278 WeakPolarHBondContact O-CB 3.13Å; E275-A278 PolarHBondContact O-N 3.39Å; G276-A278 VanDerWaalsContact C-N 3.25Å; G276-A278 PolarHBondContact O-N 2.94Å; A278-S300 WeakPolarHBondContact CA-OG 3.42Å
279T88.1Confident75.1Confident36 Ų3658.7 Ų58.722%0.22135%0.351CS..  trans-97.6151.916957.90000110.3S146 P148 S277 R299 S300S146-T279 WeakPolarHBondContact O-CB 3.39Å; S146-T279 WeakPolarHBondContact O-CG2 3.48Å; P148-T279 HydrophobicContact CG-CG2 3.94Å; S277-T279 PolarHBondContact O-N 3.02Å; T279-R299 CarbonylContact O-C 3.47Å; T279-R299 WeakPolarHBondContact O-CA 3.5Å; T279-R299 WeakPolarHBondContact O-CB 3.42Å; T279-S300 PolarHBondContact N-OG 3.29Å; T279-S300 VanDerWaalsContact N-OG 3.09Å; T279-S300 PolarHBondContact O-N 2.88Å; T279-S300 WeakPolarHBondContact OG1-CB 3.28Å
280E90.6Very high77.9Confident34 Ų3461.7 Ų61.716%0.15934%0.344CS..EExtended strand (participates in β ladder)trans-117.9129.4168.9177.4179.9-120.100109.9S146 R291 S297 R299S146-E280 PolarHBondContact N-O 2.88Å; S146-E280 WeakPolarHBondContact OG-CA 3.36Å; S146-E280 WeakPolarHBondContact OG-CB 3.22Å; S146-E280 PolarHBondContact OG-N 3.17Å; S146-E280 PolarHBondContact OG-O 2.77Å; E280-R291 IonicContact OE1-NH1 3.22Å; E280-R291 IonicContact OE2-CZ 3.36Å; E280-R291 IonicContact OE2-NH1 3.96Å; E280-R291 PolarHBondContact OE2-NH1 2.57Å; E280-S297 WeakPolarHBondContact CG-OG 3.32Å; E280-S297 PolarHBondContact OE1-OG 2.85Å; E280-R299 HydrophobicContact CB-CG 4.29Å
281V95.8Very high80.9Confident54 Ų5457.5 Ų57.533%0.32731%0.314SS..EExtended strand (participates in β ladder)trans-105.9126.2164.6179.80000108.3V143 R144 Q145 S297 Q298V143-V281 HydrophobicContact CG1-CG1 4.06Å; R144-V281 CarbonylContact O-C 3.58Å; R144-V281 WeakPolarHBondContact O-CA 3.17Å; Q145-V281 HydrophobicContact CB-CG2 4.42Å; Q145-V281 HydrophobicContact CG-CG2 4.16Å; V281-S297 CarbonylContact O-C 3.54Å; V281-S297 WeakPolarHBondContact O-CA 3.43Å; V281-Q298 PolarHBondContact N-O 3.46Å; V281-Q298 PolarHBondContact O-N 2.92Å
282Y97.6Very high83.5Confident1 Ų152.1 Ų52.10%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-113.8133.5168.8172.7-95.6000110.1V143 R144 E285 W286 R291 V296 W309V143-Y282 CarbonylContact C-O 3.4Å; V143-Y282 VanDerWaalsContact CA-O 3.29Å; V143-Y282 WeakPolarHBondContact CA-O 3.26Å; R144-Y282 PolarHBondContact N-O 2.94Å; R144-Y282 PolarHBondContact O-N 2.87Å; Y282-E285 PolarHBondContact OH-N 3.04Å; Y282-E285 PolarHBondContact OH-O 2.68Å; Y282-W286 AromaticContact CD1-CE2 3.7Å; Y282-W286 HydrophobicContact CD1-CH2 4.32Å; Y282-W286 AromaticContact CD1-CZ2 3.44Å; Y282-W286 HydrophobicContact CD1-CZ2 3.44Å; Y282-W286 VanDerWaalsContact CD1-CZ2 3.44Å; Y282-W286 AromaticContact CD1-NE1 3.76Å; Y282-W286 HydrophobicContact CE1-CD2 4.39Å; Y282-W286 AromaticContact CE1-CE2 3.63Å; Y282-W286 AromaticContact CE1-CZ2 3.84Å; Y282-W286 HydrophobicContact CE1-CZ2 3.84Å; Y282-W286 AromaticContact CE1-NE1 3.48Å; Y282-R291 HydrophobicContact CD1-CG 3.84Å; Y282-R291 VanDerWaalsContact CD2-CD 3.42Å; Y282-R291 HydrophobicContact CD2-CG 4.24Å; Y282-R291 HydrophobicContact CE1-CB 4.09Å; Y282-R291 HydrophobicContact CE1-CG 3.62Å; Y282-R291 HydrophobicContact CE2-CB 4.17Å; Y282-R291 HydrophobicContact CE2-CG 4.05Å; Y282-R291 VanDerWaalsContact CG-CD 3.45Å; Y282-R291 HydrophobicContact CG-CG 4.11Å; Y282-V296 CarbonylContact C-O 3.56Å; Y282-V296 WeakPolarHBondContact CA-O 3.28Å; Y282-V296 WeakPolarHBondContact CD2-O 3.41Å; Y282-W309 AromaticContact CD2-CZ2 4Å; Y282-W309 HydrophobicContact CD2-CZ2 4Å; Y282-W309 AromaticContact CE2-CD1 3.96Å; Y282-W309 HydrophobicContact CE2-CD2 4.02Å; Y282-W309 AromaticContact CE2-CE2 3.59Å; Y282-W309 HydrophobicContact CE2-CG 4.22Å; Y282-W309 AromaticContact CE2-CZ2 3.95Å; Y282-W309 HydrophobicContact CE2-CZ2 3.95Å; Y282-W309 AromaticContact CE2-NE1 3.59Å
283A98.6Very high85.9Confident7 Ų750 Ų506%0.05826%0.264CS..EExtended strand (participates in β ladder)trans-132.5125.1172.500000109.3V143 G295 V296 V371 A374V143-A283 HydrophobicContact CG1-CB 4.37Å; V143-A283 HydrophobicContact CG2-CB 3.77Å; A283-G295 WeakPolarHBondContact O-CA 3.37Å; A283-V296 PolarHBondContact N-O 3.17Å; A283-V296 PolarHBondContact O-N 3.33Å; A283-V371 HydrophobicContact CB-CB 4.44Å; A283-V371 HydrophobicContact CB-CG1 4.19Å; A283-V371 HydrophobicContact CB-CG2 3.99Å; A283-V371 WeakPolarHBondContact O-CG2 3.5Å; A283-A374 HydrophobicContact CB-CB 4.29Å
284G98.4Very high88.4Confident0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans158.7-153.6-178.100000112.5G142 W286 F294G142-G284 PolarHBondContact N-O 3.45Å; G142-G284 VanDerWaalsContact N-O 3.08Å; G142-G284 PolarHBondContact O-N 2.83Å; G284-W286 VanDerWaalsContact O-CD1 3.31Å; G284-F294 WeakPolarHBondContact CA-O 3.38Å
285E98.7Very high90.6Very high43 Ų4341.5 Ų41.520%0.20122%0.218CC..EExtended strand (participates in β ladder)trans-82.3151.3-177.3-73.3171.5-107.900114G140 Y141 Y282 S292 F294G140-E285 CarbonylContact O-C 3.56Å; G140-E285 WeakPolarHBondContact O-CA 3.43Å; Y141-E285 HydrophobicContact CD1-CG 3.78Å; Y141-E285 HydrophobicContact CE1-CG 3.34Å; Y282-E285 PolarHBondContact OH-N 3.04Å; Y282-E285 PolarHBondContact OH-O 2.68Å; E285-S292 CarbonylContact C-O 3.52Å; E285-S292 WeakPolarHBondContact CB-O 3.3Å; E285-S292 PolarHBondContact O-N 2.81Å; E285-S292 VanDerWaalsContact O-N 3.17Å; E285-F294 PolarHBondContact N-O 3Å; E285-F294 PolarHBondContact OE1-N 3.15Å
286W98.2Very high92.6Very high5 Ų536.4 Ų36.42%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-137.8142.7-178.3-6684.9000110.7Y129 R138 H139 G140 G142 R144 Y282 G284 D289 R290 R291Y129-W286 HydrophobicContact CD2-CZ2 4.07Å; Y129-W286 AromaticContact CE2-CD1 3.95Å; Y129-W286 HydrophobicContact CE2-CD2 4.05Å; Y129-W286 AromaticContact CE2-CE2 3.64Å; Y129-W286 HydrophobicContact CE2-CG 4.24Å; Y129-W286 HydrophobicContact CE2-CZ2 4.05Å; Y129-W286 AromaticContact CE2-NE1 3.59Å; R138-W286 HydrophobicContact CB-CE3 4.43Å; H139-W286 CarbonylContact C-O 3.59Å; H139-W286 WeakPolarHBondContact CA-O 3.42Å; G140-W286 PolarHBondContact N-O 2.76Å; G140-W286 PolarHBondContact O-N 3.21Å; G142-W286 PolarHBondContact O-NE1 3.08Å; R144-W286 HydrophobicContact CB-CH2 3.96Å; R144-W286 HydrophobicContact CB-CZ2 3.63Å; R144-W286 HydrophobicContact CG-CH2 4.48Å; Y282-W286 AromaticContact CD1-CE2 3.7Å; Y282-W286 HydrophobicContact CD1-CH2 4.32Å; Y282-W286 AromaticContact CD1-CZ2 3.44Å; Y282-W286 HydrophobicContact CD1-CZ2 3.44Å; Y282-W286 VanDerWaalsContact CD1-CZ2 3.44Å; Y282-W286 AromaticContact CD1-NE1 3.76Å; Y282-W286 HydrophobicContact CE1-CD2 4.39Å; Y282-W286 AromaticContact CE1-CE2 3.63Å; Y282-W286 AromaticContact CE1-CZ2 3.84Å; Y282-W286 HydrophobicContact CE1-CZ2 3.84Å; Y282-W286 AromaticContact CE1-NE1 3.48Å; G284-W286 VanDerWaalsContact O-CD1 3.31Å; W286-D289 WeakPolarHBondContact CZ3-O 3.47Å; W286-R290 CarbonylContact C-O 3.57Å; W286-R290 WeakPolarHBondContact CA-O 3.33Å; W286-R291 HydrophobicContact CE3-CG 4.36Å; W286-R291 HydrophobicContact CH2-CG 3.92Å; W286-R291 HydrophobicContact CZ2-CG 4.24Å; W286-R291 HydrophobicContact CZ3-CG 3.98Å
287R97.7Very high94.4Very high160 Ų16035.4 Ų35.460%0.60418%0.183SC*.EExtended strand (participates in β ladder)trans-142.8113.4173.2-178178.7-65.4-99.3-2.7109.3D289 R290 S292R287-D289 PolarHBondContact O-N 3.42Å; R287-R290 PolarHBondContact N-O 2.81Å; R287-R290 PolarHBondContact O-N 3.39Å; R287-R290 VanDerWaalsContact O-N 3.15Å; R287-S292 WeakPolarHBondContact CB-OG 3.02Å; R287-S292 PolarHBondContact N-OG 3.4Å
288A93.9Very high95.5Very high45 Ų4537.4 Ų37.437%0.37219%0.186SC..THydrogen-bonded Turntrans47.761.4-179.800000112K137 R138 R290K137-A288 HydrophobicContact CD-CB 4.11Å; R138-A288 PolarHBondContact O-N 3.23Å; A288-R290 PolarHBondContact O-N 3.19Å; A288-R290 VanDerWaalsContact O-N 3.09Å
289D94.4Very high96Very high4 Ų440.5 Ų40.52%0.02120%0.196CC..THydrogen-bonded Turntrans65.82.5-179.9-64.6-57.9000116.9K137 R138 L163 W286 R287K137-D289 WeakPolarHBondContact CA-OD2 3.1Å; K137-D289 VanDerWaalsContact CB-OD2 3.25Å; K137-D289 WeakPolarHBondContact CB-OD2 3.43Å; K137-D289 VanDerWaalsContact CG-OD2 3.29Å; K137-D289 WeakPolarHBondContact CG-OD2 3.48Å; R138-D289 WeakPolarHBondContact CB-OD1 3.38Å; R138-D289 VanDerWaalsContact CG-OD1 3.3Å; R138-D289 WeakPolarHBondContact CG-OD1 3.47Å; R138-D289 IonicContact CZ-OD1 2.67Å; R138-D289 PolarHBondContact N-OD1 3.03Å; R138-D289 IonicContact NE-OD1 3.39Å; R138-D289 PolarHBondContact NE-OD1 2.78Å; R138-D289 PolarHBondContact NH2-O 2.99Å; R138-D289 IonicContact NH2-OD1 3.59Å; R138-D289 PolarHBondContact O-N 2.81Å; L163-D289 WeakPolarHBondContact O-CB 3.44Å; L163-D289 VanDerWaalsContact O-O 3.06Å; W286-D289 WeakPolarHBondContact CZ3-O 3.47Å; R287-D289 PolarHBondContact O-N 3.42Å
290R94.9Very high96.2Very high144 Ų14442.5 Ų42.554%0.54321%0.211SC..EExtended strand (participates in β ladder)trans-109.1135.4179.6-58.2173.9-178.5-178.60.3111.1W286 R287 A288 S292 N312W286-R290 CarbonylContact C-O 3.57Å; W286-R290 WeakPolarHBondContact CA-O 3.33Å; R287-R290 PolarHBondContact N-O 2.81Å; R287-R290 PolarHBondContact O-N 3.39Å; R287-R290 VanDerWaalsContact O-N 3.15Å; A288-R290 PolarHBondContact O-N 3.19Å; A288-R290 VanDerWaalsContact O-N 3.09Å; R290-S292 PolarHBondContact O-N 2.92Å; R290-N312 WeakPolarHBondContact CA-OD1 3.15Å
291R96.8Very high96Very high23 Ų2343.1 Ų43.19%0.08722%0.216CC..EExtended strand (participates in β ladder)trans-57127.4165.5-56-178.8-73.3-138.83109E280 Y282 W286 W309 G311 N312E280-R291 IonicContact OE1-NH1 3.22Å; E280-R291 IonicContact OE2-CZ 3.36Å; E280-R291 IonicContact OE2-NH1 3.96Å; E280-R291 PolarHBondContact OE2-NH1 2.57Å; Y282-R291 HydrophobicContact CD1-CG 3.84Å; Y282-R291 VanDerWaalsContact CD2-CD 3.42Å; Y282-R291 HydrophobicContact CD2-CG 4.24Å; Y282-R291 HydrophobicContact CE1-CB 4.09Å; Y282-R291 HydrophobicContact CE1-CG 3.62Å; Y282-R291 HydrophobicContact CE2-CB 4.17Å; Y282-R291 HydrophobicContact CE2-CG 4.05Å; Y282-R291 VanDerWaalsContact CG-CD 3.45Å; Y282-R291 HydrophobicContact CG-CG 4.11Å; W286-R291 HydrophobicContact CE3-CG 4.36Å; W286-R291 HydrophobicContact CH2-CG 3.92Å; W286-R291 HydrophobicContact CZ2-CG 4.24Å; W286-R291 HydrophobicContact CZ3-CG 3.98Å; R291-W309 HydrophobicContact CB-CB 4.4Å; R291-W309 HydrophobicContact CB-CD2 4.32Å; R291-W309 HydrophobicContact CB-CE3 4.09Å; R291-W309 HydrophobicContact CB-CG 4.48Å; R291-G311 PolarHBondContact O-N 3.47Å; R291-G311 VanDerWaalsContact O-N 3.15Å; R291-N312 PolarHBondContact N-OD1 2.98Å; R291-N312 PolarHBondContact NH2-O 3.36Å; R291-N312 VanDerWaalsContact NH2-O 3.09Å; R291-N312 PolarHBondContact O-N 3.04Å
292S97.2Very high95.6Very high12 Ų1242.2 Ų42.28%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-144.8177.2-177.358.10000109.8E285 R287 R290 W309E285-S292 CarbonylContact C-O 3.52Å; E285-S292 WeakPolarHBondContact CB-O 3.3Å; E285-S292 PolarHBondContact O-N 2.81Å; E285-S292 VanDerWaalsContact O-N 3.17Å; R287-S292 WeakPolarHBondContact CB-OG 3.02Å; R287-S292 PolarHBondContact N-OG 3.4Å; R290-S292 PolarHBondContact O-N 2.92Å; S292-W309 CarbonylContact C-O 3.54Å; S292-W309 VanDerWaalsContact C-O 3.3Å; S292-W309 VanDerWaalsContact CA-O 3.3Å; S292-W309 WeakPolarHBondContact CA-O 3.3Å
293G98.2Very high95.3Very high25 Ų2543.9 Ų43.926%0.25823%0.226SC..EExtended strand (participates in β ladder)trans61.2-137.5171.900000112.1E308 W309G293-E308 CarbonylContact O-C 3.48Å; G293-E308 WeakPolarHBondContact O-CA 3.33Å; G293-W309 PolarHBondContact N-O 3.01Å; G293-W309 PolarHBondContact O-N 2.94Å
294F98.7Very high95.1Very high66 Ų6646.6 Ų46.629%0.28924%0.235SC..EExtended strand (participates in β ladder)trans-99.2145.6176.1-63.5-83.4000112G284 E285 E308 A363 A370G284-F294 WeakPolarHBondContact CA-O 3.38Å; E285-F294 PolarHBondContact N-O 3Å; E285-F294 PolarHBondContact OE1-N 3.15Å; F294-E308 HydrophobicContact CD1-CG 3.87Å; F294-E308 HydrophobicContact CE1-CG 3.46Å; F294-E308 VanDerWaalsContact CE1-CG 3.46Å; F294-E308 HydrophobicContact CZ-CG 4.1Å; F294-A363 HydrophobicContact CE1-CB 4.27Å; F294-A370 HydrophobicContact CB-CB 3.81Å; F294-A370 VanDerWaalsContact O-CB 3.27Å; F294-A370 WeakPolarHBondContact O-CB 3.39Å
295G98.4Very high95.1Very high0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-178.5164.7176.100000114.7A283 G307 W309A283-G295 WeakPolarHBondContact O-CA 3.37Å; G295-G307 PolarHBondContact N-O 3.46Å; G295-G307 PolarHBondContact O-N 2.94Å; G295-W309 PolarHBondContact O-NE1 3.31Å
296V98.5Very high95Very high9 Ų945 Ų456%0.05523%0.227CC..EExtended strand (participates in β ladder)trans-115.3130.8178.3179.40000109.8Y282 A283 R304 Y305 E306 A367 V371Y282-V296 CarbonylContact C-O 3.56Å; Y282-V296 WeakPolarHBondContact CA-O 3.28Å; Y282-V296 WeakPolarHBondContact CD2-O 3.41Å; A283-V296 PolarHBondContact N-O 3.17Å; A283-V296 PolarHBondContact O-N 3.33Å; V296-R304 HydrophobicContact CG1-CG 4.11Å; V296-Y305 CarbonylContact C-O 3.56Å; V296-Y305 VanDerWaalsContact CA-O 3.23Å; V296-Y305 WeakPolarHBondContact CA-O 2.97Å; V296-Y305 WeakPolarHBondContact CG1-O 3.36Å; V296-E306 HydrophobicContact CG1-CG 4.4Å; V296-E306 HydrophobicContact CG2-CB 4.41Å; V296-E306 HydrophobicContact CG2-CG 4.02Å; V296-A367 HydrophobicContact CG2-CB 3.95Å; V296-V371 HydrophobicContact CB-CG2 3.56Å; V296-V371 HydrophobicContact CG2-CG2 3.41Å; V296-V371 VanDerWaalsContact CG2-CG2 3.41Å
297S96.4Very high95Very high8 Ų844.8 Ų44.86%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-105.1134.1162.8161.40000108.5E280 V281 R304 Y305E280-S297 WeakPolarHBondContact CG-OG 3.32Å; E280-S297 PolarHBondContact OE1-OG 2.85Å; V281-S297 CarbonylContact O-C 3.54Å; V281-S297 WeakPolarHBondContact O-CA 3.43Å; S297-R304 CarbonylContact O-C 3.58Å; S297-R304 VanDerWaalsContact O-CA 3.29Å; S297-R304 WeakPolarHBondContact O-CA 3.44Å; S297-Y305 PolarHBondContact N-O 2.85Å; S297-Y305 PolarHBondContact O-N 3.34Å
298Q95.1Very high95Very high101 Ų10139.7 Ų39.747%0.47221%0.209SC..EExtended strand (participates in β ladder)trans-133132.8173.7-178.2171.70.300109.1V281 R304V281-Q298 PolarHBondContact N-O 3.46Å; V281-Q298 PolarHBondContact O-N 2.92Å; Q298-R304 HydrophobicContact CB-CG 4.26Å; Q298-R304 HydrophobicContact CG-CG 4.45Å
299R90.6Very high95.2Very high74 Ų7438.2 Ų38.228%0.27919%0.194SC..EExtended strand (participates in β ladder)trans-103.1154.8175.2-60.9-171.5-175.7173.1-1.9111.6T279 E280 N301 G302 L303T279-R299 CarbonylContact O-C 3.47Å; T279-R299 WeakPolarHBondContact O-CA 3.5Å; T279-R299 WeakPolarHBondContact O-CB 3.42Å; E280-R299 HydrophobicContact CB-CG 4.29Å; R299-N301 WeakPolarHBondContact CB-OD1 3.38Å; R299-N301 PolarHBondContact O-N 2.86Å; R299-G302 PolarHBondContact O-N 2.73Å; R299-L303 HydrophobicContact CB-CB 4.31Å; R299-L303 HydrophobicContact CG-CB 4.46Å; R299-L303 PolarHBondContact N-O 2.81Å
300S91Very high95.3Very high78 Ų7842.9 Ų42.955%0.54522%0.218SC..THydrogen-bonded Turntrans-59.3-29.9175.955.70000113.3A278 T279 G302A278-S300 WeakPolarHBondContact CA-OG 3.42Å; T279-S300 PolarHBondContact N-OG 3.29Å; T279-S300 VanDerWaalsContact N-OG 3.09Å; T279-S300 PolarHBondContact O-N 2.88Å; T279-S300 WeakPolarHBondContact OG1-CB 3.28Å; S300-G302 PolarHBondContact O-N 3.24Å
301N86.5Confident95.2Very high47 Ų4737.4 Ų37.425%0.25121%0.207SC..THydrogen-bonded Turntrans-75.45.7174.877.7-10.3000114.4R299 L303 P323R299-N301 WeakPolarHBondContact CB-OD1 3.38Å; R299-N301 PolarHBondContact O-N 2.86Å; N301-L303 WeakPolarHBondContact OD1-CB 3.24Å; N301-L303 PolarHBondContact OD1-N 2.89Å; N301-L303 VanDerWaalsContact OD1-N 3.17Å; N301-P323 VanDerWaalsContact O-CB 3.24Å; N301-P323 WeakPolarHBondContact O-CB 3.27Å; N301-P323 WeakPolarHBondContact O-CG 3.28Å
302G87.8Confident95Very high35 Ų3537.7 Ų37.736%0.36121%0.21SC..SBendtrans89.8-10.5178.800000115.5R299 S300 R304R299-G302 PolarHBondContact O-N 2.73Å; S300-G302 PolarHBondContact O-N 3.24Å; G302-R304 PolarHBondContact O-N 3.41Å
303L90.6Very high94.8Very high36 Ų3643.3 Ų43.319%0.18823%0.229CC..  trans-63.9122.6174.6-176.473.1000110.2R299 N301 T320 R322R299-L303 HydrophobicContact CB-CB 4.31Å; R299-L303 HydrophobicContact CG-CB 4.46Å; R299-L303 PolarHBondContact N-O 2.81Å; N301-L303 WeakPolarHBondContact OD1-CB 3.24Å; N301-L303 PolarHBondContact OD1-N 2.89Å; N301-L303 VanDerWaalsContact OD1-N 3.17Å; L303-T320 HydrophobicContact CD1-CG2 3.75Å; L303-R322 HydrophobicContact CD1-CG 4.3Å
304R95.8Very high94.7Very high64 Ų6444.8 Ų44.824%0.24223%0.227CC..EExtended strand (participates in β ladder)trans-133.8135.9-175.6-174167.3174.1-85.3-6.9111.4V296 S297 Q298 G302 E306 T320 T321V296-R304 HydrophobicContact CG1-CG 4.11Å; S297-R304 CarbonylContact O-C 3.58Å; S297-R304 VanDerWaalsContact O-CA 3.29Å; S297-R304 WeakPolarHBondContact O-CA 3.44Å; Q298-R304 HydrophobicContact CB-CG 4.26Å; Q298-R304 HydrophobicContact CG-CG 4.45Å; G302-R304 PolarHBondContact O-N 3.41Å; R304-E306 IonicContact CZ-OE1 3.87Å; R304-E306 VanDerWaalsContact CZ-OE1 3.3Å; R304-E306 VanDerWaalsContact NH1-CG 3.31Å; R304-E306 IonicContact NH1-OE1 2.81Å; R304-E306 PolarHBondContact NH1-OE1 3Å; R304-E306 IonicContact NH1-OE2 3.16Å; R304-E306 PolarHBondContact NH1-OE2 3.46Å; R304-E306 IonicContact NH2-OE1 3.6Å; R304-E306 PolarHBondContact NH2-OE1 2.84Å; R304-T320 CarbonylContact O-C 3.5Å; R304-T320 VanDerWaalsContact O-CA 3.29Å; R304-T320 WeakPolarHBondContact O-CA 3.38Å; R304-T321 PolarHBondContact N-O 3.04Å; R304-T321 PolarHBondContact O-N 3.11Å
305Y96.8Very high94.4Very high7 Ų744.7 Ų44.73%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-120.7128.8171.8173.1-100.2000110.3V296 S297 E308 W309 R314 H315 R319 T320 Y332V296-Y305 CarbonylContact C-O 3.56Å; V296-Y305 VanDerWaalsContact CA-O 3.23Å; V296-Y305 WeakPolarHBondContact CA-O 2.97Å; V296-Y305 WeakPolarHBondContact CG1-O 3.36Å; S297-Y305 PolarHBondContact N-O 2.85Å; S297-Y305 PolarHBondContact O-N 3.34Å; Y305-E308 PolarHBondContact OH-O 3.18Å; Y305-W309 AromaticContact CD1-CE2 3.62Å; Y305-W309 HydrophobicContact CD1-CH2 4.33Å; Y305-W309 AromaticContact CD1-CZ2 3.47Å; Y305-W309 HydrophobicContact CD1-CZ2 3.47Å; Y305-W309 VanDerWaalsContact CD1-CZ2 3.47Å; Y305-W309 AromaticContact CD1-NE1 3.65Å; Y305-W309 HydrophobicContact CE1-CD2 4.32Å; Y305-W309 AromaticContact CE1-CE2 3.65Å; Y305-W309 AromaticContact CE1-CZ2 3.96Å; Y305-W309 HydrophobicContact CE1-CZ2 3.96Å; Y305-W309 AromaticContact CE1-NE1 3.48Å; Y305-W309 HydrophobicContact CG-CZ2 4.49Å; Y305-R314 HydrophobicContact CD1-CG 3.88Å; Y305-R314 VanDerWaalsContact CD2-CD 3.4Å; Y305-R314 HydrophobicContact CD2-CG 4.09Å; Y305-R314 HydrophobicContact CE1-CB 4.07Å; Y305-R314 HydrophobicContact CE1-CG 3.74Å; Y305-R314 HydrophobicContact CE2-CB 4.07Å; Y305-R314 HydrophobicContact CE2-CG 3.94Å; Y305-R314 HydrophobicContact CG-CG 4.02Å; Y305-H315 PolarHBondContact OH-O 2.86Å; Y305-R319 WeakPolarHBondContact CA-O 3.49Å; Y305-T320 WeakPolarHBondContact CD2-OG1 3.37Å; Y305-Y332 HydrophobicContact CE2-CD2 4Å; Y305-Y332 HydrophobicContact CE2-CE1 4.38Å; Y305-Y332 AromaticContact CE2-CE2 3.85Å; Y305-Y332 HydrophobicContact CE2-CE2 3.85Å; Y305-Y332 HydrophobicContact CE2-CG 4.36Å
306E98.1Very high94.3Very high2 Ų244.9 Ų44.91%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-114.1126.4170.1-62.2176.2122.500108.7V296 R304 G318 R319 V364 A367 R368V296-E306 HydrophobicContact CG1-CG 4.4Å; V296-E306 HydrophobicContact CG2-CB 4.41Å; V296-E306 HydrophobicContact CG2-CG 4.02Å; R304-E306 IonicContact CZ-OE1 3.87Å; R304-E306 VanDerWaalsContact CZ-OE1 3.3Å; R304-E306 VanDerWaalsContact NH1-CG 3.31Å; R304-E306 IonicContact NH1-OE1 2.81Å; R304-E306 PolarHBondContact NH1-OE1 3Å; R304-E306 IonicContact NH1-OE2 3.16Å; R304-E306 PolarHBondContact NH1-OE2 3.46Å; R304-E306 IonicContact NH2-OE1 3.6Å; R304-E306 PolarHBondContact NH2-OE1 2.84Å; E306-G318 CarbonylContact O-C 3.55Å; E306-G318 WeakPolarHBondContact O-CA 3.41Å; E306-R319 PolarHBondContact N-O 3.1Å; E306-R319 PolarHBondContact O-N 2.9Å; E306-R319 IonicContact OE2-CZ 2.78Å; E306-R319 IonicContact OE2-NE 3.24Å; E306-R319 PolarHBondContact OE2-NE 2.88Å; E306-R319 IonicContact OE2-NH2 3.48Å; E306-R319 PolarHBondContact OE2-NH2 3.3Å; E306-V364 HydrophobicContact CB-CB 4.46Å; E306-V364 HydrophobicContact CB-CG1 4.41Å; E306-V364 HydrophobicContact CB-CG2 3.93Å; E306-A367 HydrophobicContact CB-CB 4.36Å; E306-R368 IonicContact OE1-CZ 2.89Å; E306-R368 IonicContact OE1-NE 2.94Å; E306-R368 PolarHBondContact OE1-NE 3.14Å; E306-R368 IonicContact OE1-NH2 3.3Å; E306-R368 PolarHBondContact OE1-NH2 3.47Å; E306-R368 VanDerWaalsContact OE1-NH2 3.16Å; E306-R368 IonicContact OE2-NH2 2.76Å
307G97.8Very high94.3Very high0 Ų046.7 Ų46.70%024%0.235CC..EExtended strand (participates in β ladder)trans154.5-152.4169.500000114.2G295 Y317G295-G307 PolarHBondContact N-O 3.46Å; G295-G307 PolarHBondContact O-N 2.94Å; G307-Y317 WeakPolarHBondContact CA-O 3.35Å
308E98.4Very high94.3Very high54 Ų5446.3 Ų46.325%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-81.3149.1-178.4-69.8171-10700113.1G293 F294 Y305 H315 G316 Y317G293-E308 CarbonylContact O-C 3.48Å; G293-E308 WeakPolarHBondContact O-CA 3.33Å; F294-E308 HydrophobicContact CD1-CG 3.87Å; F294-E308 HydrophobicContact CE1-CG 3.46Å; F294-E308 VanDerWaalsContact CE1-CG 3.46Å; F294-E308 HydrophobicContact CZ-CG 4.1Å; Y305-E308 PolarHBondContact OH-O 3.18Å; E308-H315 WeakPolarHBondContact CB-O 3.43Å; E308-H315 PolarHBondContact O-N 3.24Å; E308-H315 VanDerWaalsContact O-O 3.1Å; E308-G316 WeakPolarHBondContact OE1-CA 3.48Å; E308-G316 WeakPolarHBondContact OE2-CA 3.09Å; E308-Y317 PolarHBondContact N-O 3.17Å; E308-Y317 PolarHBondContact OE1-N 3.37Å
309W97.7Very high94.4Very high14 Ų1442.6 Ų42.65%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-132.5142.7-179.4-68.685.3000111.1Y282 R291 S292 G293 G295 Y305 R313 R314Y282-W309 AromaticContact CD2-CZ2 4Å; Y282-W309 HydrophobicContact CD2-CZ2 4Å; Y282-W309 AromaticContact CE2-CD1 3.96Å; Y282-W309 HydrophobicContact CE2-CD2 4.02Å; Y282-W309 AromaticContact CE2-CE2 3.59Å; Y282-W309 HydrophobicContact CE2-CG 4.22Å; Y282-W309 AromaticContact CE2-CZ2 3.95Å; Y282-W309 HydrophobicContact CE2-CZ2 3.95Å; Y282-W309 AromaticContact CE2-NE1 3.59Å; R291-W309 HydrophobicContact CB-CB 4.4Å; R291-W309 HydrophobicContact CB-CD2 4.32Å; R291-W309 HydrophobicContact CB-CE3 4.09Å; R291-W309 HydrophobicContact CB-CG 4.48Å; S292-W309 CarbonylContact C-O 3.54Å; S292-W309 VanDerWaalsContact C-O 3.3Å; S292-W309 VanDerWaalsContact CA-O 3.3Å; S292-W309 WeakPolarHBondContact CA-O 3.3Å; G293-W309 PolarHBondContact N-O 3.01Å; G293-W309 PolarHBondContact O-N 2.94Å; G295-W309 PolarHBondContact O-NE1 3.31Å; Y305-W309 AromaticContact CD1-CE2 3.62Å; Y305-W309 HydrophobicContact CD1-CH2 4.33Å; Y305-W309 AromaticContact CD1-CZ2 3.47Å; Y305-W309 HydrophobicContact CD1-CZ2 3.47Å; Y305-W309 VanDerWaalsContact CD1-CZ2 3.47Å; Y305-W309 AromaticContact CD1-NE1 3.65Å; Y305-W309 HydrophobicContact CE1-CD2 4.32Å; Y305-W309 AromaticContact CE1-CE2 3.65Å; Y305-W309 AromaticContact CE1-CZ2 3.96Å; Y305-W309 HydrophobicContact CE1-CZ2 3.96Å; Y305-W309 AromaticContact CE1-NE1 3.48Å; Y305-W309 HydrophobicContact CG-CZ2 4.49Å; W309-R313 CarbonylContact C-O 3.55Å; W309-R313 WeakPolarHBondContact CA-O 3.19Å; W309-R314 HydrophobicContact CH2-CG 4.28Å; W309-R314 HydrophobicContact CZ3-CG 4.29Å
310L97.1Very high94.6Very high101 Ų10139.2 Ų39.253%0.52920%0.202SC..EExtended strand (participates in β ladder)trans-144.6115.1172.7-175.164000109.9R313 H315L310-R313 PolarHBondContact N-O 3.09Å; L310-R313 WeakPolarHBondContact O-CB 3.43Å; L310-R313 PolarHBondContact O-N 3.42Å; L310-H315 HydrophobicContact CB-CB 3.65Å
311G91.6Very high94.8Very high29 Ų2936.9 Ų36.930%0.29919%0.185SC..THydrogen-bonded Turntrans60.252.2173.900000113.2R291 R313R291-G311 PolarHBondContact O-N 3.47Å; R291-G311 VanDerWaalsContact O-N 3.15Å; G311-R313 PolarHBondContact O-N 2.82Å
312N92.9Very high95Very high30 Ų3039 Ų3916%0.1619%0.189CC..THydrogen-bonded Turntrans67.34.6-175.5-69.1-37.1000116.3L163 R290 R291L163-N312 HydrophobicContact CD1-CB 4.28Å; R290-N312 WeakPolarHBondContact CA-OD1 3.15Å; R291-N312 PolarHBondContact N-OD1 2.98Å; R291-N312 PolarHBondContact NH2-O 3.36Å; R291-N312 VanDerWaalsContact NH2-O 3.09Å; R291-N312 PolarHBondContact O-N 3.04Å
313R93.1Very high95.1Very high129 Ų12941.3 Ų41.349%0.48720%0.198SC..EExtended strand (participates in β ladder)trans-116.1144.6-176.7-56.5172.5-174-178.9-0.4111.8W309 L310 G311 H315 N335W309-R313 CarbonylContact C-O 3.55Å; W309-R313 WeakPolarHBondContact CA-O 3.19Å; L310-R313 PolarHBondContact N-O 3.09Å; L310-R313 WeakPolarHBondContact O-CB 3.43Å; L310-R313 PolarHBondContact O-N 3.42Å; G311-R313 PolarHBondContact O-N 2.82Å; R313-H315 PolarHBondContact O-N 2.86Å; R313-N335 WeakPolarHBondContact CA-OD1 3.47Å; R313-N335 WeakPolarHBondContact CB-OD1 3.27Å
314R94.9Very high95.1Very high56 Ų5645.3 Ų45.321%0.21122%0.22CC..EExtended strand (participates in β ladder)trans-57.6128.4165.8-55.4-176.9-70.4-177.42.6109Y305 W309 T320 Y332 N335Y305-R314 HydrophobicContact CD1-CG 3.88Å; Y305-R314 VanDerWaalsContact CD2-CD 3.4Å; Y305-R314 HydrophobicContact CD2-CG 4.09Å; Y305-R314 HydrophobicContact CE1-CB 4.07Å; Y305-R314 HydrophobicContact CE1-CG 3.74Å; Y305-R314 HydrophobicContact CE2-CB 4.07Å; Y305-R314 HydrophobicContact CE2-CG 3.94Å; Y305-R314 HydrophobicContact CG-CG 4.02Å; W309-R314 HydrophobicContact CH2-CG 4.28Å; W309-R314 HydrophobicContact CZ3-CG 4.29Å; R314-T320 PolarHBondContact NH1-OG1 3.4Å; R314-Y332 HydrophobicContact CB-CD1 4.01Å; R314-Y332 HydrophobicContact CB-CG 4.22Å; R314-N335 PolarHBondContact N-OD1 2.81Å; R314-N335 PolarHBondContact NH2-O 2.77Å; R314-N335 PolarHBondContact O-N 2.99Å; R314-N335 VanDerWaalsContact O-N 3.1Å
315H94.4Very high94.8Very high64 Ų6444.3 Ų44.330%0.29623%0.229SC..EExtended strand (participates in β ladder)trans-141.1-178.5-176.3-162.872.3000109.8Y305 E308 L310 R313 Y317 Y332Y305-H315 PolarHBondContact OH-O 2.86Å; E308-H315 WeakPolarHBondContact CB-O 3.43Å; E308-H315 PolarHBondContact O-N 3.24Å; E308-H315 VanDerWaalsContact O-O 3.1Å; L310-H315 HydrophobicContact CB-CB 3.65Å; R313-H315 PolarHBondContact O-N 2.86Å; H315-Y317 PolarHBondContact O-N 3.18Å; H315-Y332 CarbonylContact C-O 3.46Å; H315-Y332 WeakPolarHBondContact CA-O 3.36Å
316G96Very high94.5Very high4 Ų445.6 Ų45.64%0.04124%0.239CC..EExtended strand (participates in β ladder)trans58.7-13716900000112.8E308 K331 Y332E308-G316 WeakPolarHBondContact OE1-CA 3.48Å; E308-G316 WeakPolarHBondContact OE2-CA 3.09Å; G316-K331 CarbonylContact O-C 3.58Å; G316-K331 VanDerWaalsContact O-CA 3.23Å; G316-K331 WeakPolarHBondContact O-CA 3.17Å; G316-K331 WeakPolarHBondContact O-CG 3.35Å; G316-Y332 PolarHBondContact N-O 2.8Å; G316-Y332 VanDerWaalsContact N-O 3.16Å; G316-Y332 PolarHBondContact O-N 2.89Å
317Y97.4Very high94.2Very high47 Ų4753.4 Ų53.418%0.18427%0.269CS..EExtended strand (participates in β ladder)trans-104151.2170.3-62.1-93.2000111.2G307 E308 H315 G330 K331 K359 V360 A363G307-Y317 WeakPolarHBondContact CA-O 3.35Å; E308-Y317 PolarHBondContact N-O 3.17Å; E308-Y317 PolarHBondContact OE1-N 3.37Å; H315-Y317 PolarHBondContact O-N 3.18Å; Y317-G330 WeakPolarHBondContact CA-O 3.39Å; Y317-K331 HydrophobicContact CD1-CB 4.16Å; Y317-K331 HydrophobicContact CE1-CB 3.96Å; Y317-K331 HydrophobicContact CE1-CD 4.45Å; Y317-K331 HydrophobicContact CE1-CG 4.3Å; Y317-K359 HydrophobicContact CD1-CB 3.72Å; Y317-K359 HydrophobicContact CD2-CB 4.07Å; Y317-K359 HydrophobicContact CE1-CB 3.82Å; Y317-K359 HydrophobicContact CE1-CD 4.01Å; Y317-K359 HydrophobicContact CE2-CB 4.17Å; Y317-K359 HydrophobicContact CE2-CD 3.92Å; Y317-K359 HydrophobicContact CG-CB 3.86Å; Y317-V360 HydrophobicContact CD1-CG2 4.27Å; Y317-A363 WeakPolarHBondContact O-CB 3.34Å
318G96.9Very high93.9Very high0 Ų056 Ų560%028%0.281CS..EExtended strand (participates in β ladder)trans-179.3-179.6177.400000113.6E306 E329 G330 Y332E306-G318 CarbonylContact O-C 3.55Å; E306-G318 WeakPolarHBondContact O-CA 3.41Å; G318-E329 WeakPolarHBondContact O-CA 3.49Å; G318-G330 PolarHBondContact N-O 2.91Å; G318-G330 VanDerWaalsContact N-O 3.09Å; G318-G330 PolarHBondContact O-N 2.85Å; G318-G330 VanDerWaalsContact O-N 3.1Å; G318-Y332 WeakPolarHBondContact O-CE2 3.32Å
319R96.8Very high93.7Very high23 Ų2357.3 Ų57.39%0.08729%0.287CS..EExtended strand (participates in β ladder)trans-137124.9-178.3-176.6168.465.7-149.4-0.7110Y305 E306 E328 E329 V360 D361 V364Y305-R319 WeakPolarHBondContact CA-O 3.49Å; E306-R319 PolarHBondContact N-O 3.1Å; E306-R319 PolarHBondContact O-N 2.9Å; E306-R319 IonicContact OE2-CZ 2.78Å; E306-R319 IonicContact OE2-NE 3.24Å; E306-R319 PolarHBondContact OE2-NE 2.88Å; E306-R319 IonicContact OE2-NH2 3.48Å; E306-R319 PolarHBondContact OE2-NH2 3.3Å; R319-E328 CarbonylContact C-O 3.57Å; R319-E328 WeakPolarHBondContact CA-O 3.38Å; R319-E329 HydrophobicContact CB-CB 4.32Å; R319-E329 HydrophobicContact CG-CB 4.2Å; R319-V360 HydrophobicContact CB-CG1 4.03Å; R319-D361 IonicContact NH1-OD1 3.57Å; R319-V364 HydrophobicContact CB-CG2 4.02Å
320T94.9Very high93.4Very high3 Ų356.9 Ų56.92%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-99.5123167.6-49.40000108.6L303 R304 Y305 R314 R327 E328 Y332L303-T320 HydrophobicContact CD1-CG2 3.75Å; R304-T320 CarbonylContact O-C 3.5Å; R304-T320 VanDerWaalsContact O-CA 3.29Å; R304-T320 WeakPolarHBondContact O-CA 3.38Å; Y305-T320 WeakPolarHBondContact CD2-OG1 3.37Å; R314-T320 PolarHBondContact NH1-OG1 3.4Å; T320-R327 CarbonylContact O-C 3.56Å; T320-R327 WeakPolarHBondContact O-CA 3.23Å; T320-E328 PolarHBondContact N-O 3.39Å; T320-E328 PolarHBondContact O-N 2.86Å; T320-Y332 PolarHBondContact OG1-OH 3.49Å
321T94.9Very high93.3Very high30 Ų3057 Ų5718%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-99.6126.4167.5-540000108.2R304 S326 R327R304-T321 PolarHBondContact N-O 3.04Å; R304-T321 PolarHBondContact O-N 3.11Å; T321-S326 WeakPolarHBondContact CA-O 3.46Å; T321-R327 HydrophobicContact CG2-CG 4.41Å
322R91.6Very high93.4Very high90 Ų9055.7 Ų55.734%0.3427%0.269SS..PPolyproline II helixtrans-86.8166.1176.7-62.7-167.2-157.8120.1-12.2110.9L303 D324 G325 S326 E328L303-R322 HydrophobicContact CD1-CG 4.3Å; R322-D324 WeakPolarHBondContact CB-OD1 3.31Å; R322-D324 PolarHBondContact O-N 3.1Å; R322-G325 PolarHBondContact O-N 2.93Å; R322-S326 WeakPolarHBondContact CB-OG 3.42Å; R322-S326 WeakPolarHBondContact CD-OG 3.33Å; R322-S326 PolarHBondContact N-O 2.87Å; R322-S326 PolarHBondContact NH1-OG 3.35Å; R322-E328 IonicContact CZ-OE1 3.71Å; R322-E328 IonicContact NE-OE1 3.55Å; R322-E328 IonicContact NH2-OE1 3.49Å; R322-E328 PolarHBondContact NH2-OE1 3.09Å
323P90.4Very high93.5Very high85 Ų8560.4 Ų60.455%0.55229%0.288SS*.THydrogen-bonded Turntrans-60.4-30.6-179-25.436.7000114.3N301 G325N301-P323 VanDerWaalsContact O-CB 3.24Å; N301-P323 WeakPolarHBondContact O-CB 3.27Å; N301-P323 WeakPolarHBondContact O-CG 3.28Å; P323-G325 PolarHBondContact O-N 3.09Å
324D89.8Confident93.3Very high120 Ų12062.9 Ų62.964%0.64230%0.297SS*.THydrogen-bonded Turntrans-73.84.5173.865.2-1.3000113.8R322 S326R322-D324 WeakPolarHBondContact CB-OD1 3.31Å; R322-D324 PolarHBondContact O-N 3.1Å; D324-S326 PolarHBondContact O-N 2.77Å; D324-S326 WeakPolarHBondContact OD1-CB 3.43Å; D324-S326 PolarHBondContact OD1-N 2.85Å; D324-S326 PolarHBondContact OD1-OG 3.16Å; D324-S326 PolarHBondContact OD2-OG 2.74Å; D324-S326 VanDerWaalsContact OD2-OG 3.1Å
325G89.5Confident93.1Very high42 Ų4263.4 Ų63.443%0.43330%0.304SS..SBendtrans78.6-6.8-17600000115R322 P323R322-G325 PolarHBondContact O-N 2.93Å; P323-G325 PolarHBondContact O-N 3.09Å
326S91Very high92.8Very high35 Ų3569.9 Ų69.925%0.24533%0.326CS..  trans-67.4148.617971.10000111.7T321 R322 D324T321-S326 WeakPolarHBondContact CA-O 3.46Å; R322-S326 WeakPolarHBondContact CB-OG 3.42Å; R322-S326 WeakPolarHBondContact CD-OG 3.33Å; R322-S326 PolarHBondContact N-O 2.87Å; R322-S326 PolarHBondContact NH1-OG 3.35Å; D324-S326 PolarHBondContact O-N 2.77Å; D324-S326 WeakPolarHBondContact OD1-CB 3.43Å; D324-S326 PolarHBondContact OD1-N 2.85Å; D324-S326 PolarHBondContact OD1-OG 3.16Å; D324-S326 PolarHBondContact OD2-OG 2.74Å; D324-S326 VanDerWaalsContact OD2-OG 3.1Å
327R92.3Very high92.5Very high166 Ų16671.2 Ų71.263%0.62633%0.332SS*.EExtended strand (participates in β ladder)trans-125129-168.6-57.8-179.5-172.9-175.11.9112.2T320 T321T320-R327 CarbonylContact O-C 3.56Å; T320-R327 WeakPolarHBondContact O-CA 3.23Å; T321-R327 HydrophobicContact CG2-CG 4.41Å
328E90.9Very high92Very high54 Ų5472.6 Ų72.625%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-109102.2171.2-67.2-176.9160.900109.9R319 T320 R322 Y332 L337R319-E328 CarbonylContact C-O 3.57Å; R319-E328 WeakPolarHBondContact CA-O 3.38Å; T320-E328 PolarHBondContact N-O 3.39Å; T320-E328 PolarHBondContact O-N 2.86Å; R322-E328 IonicContact CZ-OE1 3.71Å; R322-E328 IonicContact NE-OE1 3.55Å; R322-E328 IonicContact NH2-OE1 3.49Å; R322-E328 PolarHBondContact NH2-OE1 3.09Å; E328-Y332 PolarHBondContact O-OH 2.79Å; E328-L337 HydrophobicContact CB-CD2 4.23Å
329E93.4Very high90.7Very high81 Ų8179.4 Ų79.438%0.37938%0.377SS..EExtended strand (participates in β ladder)trans-115.9146.1-179.551.7-177.4-13900113.2G318 R319 V360G318-E329 WeakPolarHBondContact O-CA 3.49Å; R319-E329 HydrophobicContact CB-CB 4.32Å; R319-E329 HydrophobicContact CG-CB 4.2Å; E329-V360 HydrophobicContact CB-CG1 3.99Å; E329-V360 HydrophobicContact CB-CG2 4.32Å
330G92.8Very high88.8Confident5 Ų581.9 Ų81.95%0.05241%0.409CS..EExtended strand (participates in β ladder)trans145.6-153174.600000112.8Y317 G318Y317-G330 WeakPolarHBondContact CA-O 3.39Å; G318-G330 PolarHBondContact N-O 2.91Å; G318-G330 VanDerWaalsContact N-O 3.09Å; G318-G330 PolarHBondContact O-N 2.85Å; G318-G330 VanDerWaalsContact O-N 3.1Å
331K94.9Very high86.5Confident105 Ų10584.3 Ų84.346%0.45744%0.435SS..EExtended strand (participates in β ladder)trans-89.6122.6-177.2-168.1174.2-175.4172.40111.4G316 Y317 V338G316-K331 CarbonylContact O-C 3.58Å; G316-K331 VanDerWaalsContact O-CA 3.23Å; G316-K331 WeakPolarHBondContact O-CA 3.17Å; G316-K331 WeakPolarHBondContact O-CG 3.35Å; Y317-K331 HydrophobicContact CD1-CB 4.16Å; Y317-K331 HydrophobicContact CE1-CB 3.96Å; Y317-K331 HydrophobicContact CE1-CD 4.45Å; Y317-K331 HydrophobicContact CE1-CG 4.3Å; K331-V338 WeakPolarHBondContact O-CB 3.31Å; K331-V338 PolarHBondContact O-N 2.85Å
332Y92.8Very high84.2Confident1 Ų195 Ų950%0.00447%0.472CS..EExtended strand (participates in β ladder)trans-97136.6176.5-72.2-99.3000111.6Y305 R314 H315 G316 G318 T320 E328 R336 L337Y305-Y332 HydrophobicContact CE2-CD2 4Å; Y305-Y332 HydrophobicContact CE2-CE1 4.38Å; Y305-Y332 AromaticContact CE2-CE2 3.85Å; Y305-Y332 HydrophobicContact CE2-CE2 3.85Å; Y305-Y332 HydrophobicContact CE2-CG 4.36Å; R314-Y332 HydrophobicContact CB-CD1 4.01Å; R314-Y332 HydrophobicContact CB-CG 4.22Å; H315-Y332 CarbonylContact C-O 3.46Å; H315-Y332 WeakPolarHBondContact CA-O 3.36Å; G316-Y332 PolarHBondContact N-O 2.8Å; G316-Y332 VanDerWaalsContact N-O 3.16Å; G316-Y332 PolarHBondContact O-N 2.89Å; G318-Y332 WeakPolarHBondContact O-CE2 3.32Å; T320-Y332 PolarHBondContact OG1-OH 3.49Å; E328-Y332 PolarHBondContact O-OH 2.79Å; Y332-R336 CarbonylContact C-O 3.59Å; Y332-R336 WeakPolarHBondContact CA-O 3.19Å; Y332-L337 HydrophobicContact CD1-CB 4.39Å; Y332-L337 HydrophobicContact CD2-CD1 4.15Å; Y332-L337 HydrophobicContact CE1-CB 4.03Å; Y332-L337 HydrophobicContact CE1-CD1 4.45Å; Y332-L337 HydrophobicContact CE2-CD1 3.79Å
333K94Very high82Confident128 Ų12895.3 Ų95.356%0.55748%0.484SS*.EExtended strand (participates in β ladder)trans-133118.4169.9-169.7173.9-176.6177.50108.9R336 V338K333-R336 PolarHBondContact N-O 3.44Å; K333-R336 PolarHBondContact O-N 3.26Å; K333-R336 VanDerWaalsContact O-N 3.17Å; K333-V338 HydrophobicContact CB-CG2 3.65Å
334R90.2Very high79.9Confident182 Ų182103.5 Ų103.569%0.68750%0.504SS*.THydrogen-bonded Turntrans51.857.5-179.9-58.6176.2177.5170-1.8112R336R334-R336 PolarHBondContact O-N 2.79Å; R334-R336 VanDerWaalsContact O-N 3.1Å
335N90.1Very high78Confident66 Ų6699.3 Ų99.335%0.35348%0.484SS..THydrogen-bonded Turntrans66.3-8.5-176.3-69-30.8000117.5R313 R314R313-N335 WeakPolarHBondContact CA-OD1 3.47Å; R313-N335 WeakPolarHBondContact CB-OD1 3.27Å; R314-N335 PolarHBondContact N-OD1 2.81Å; R314-N335 PolarHBondContact NH2-O 2.77Å; R314-N335 PolarHBondContact O-N 2.99Å; R314-N335 VanDerWaalsContact O-N 3.1Å
336R88.1Confident76.2Confident201 Ų201106.1 Ų106.176%0.75851%0.51SS*.EExtended strand (participates in β ladder)trans-99.5136.1179.9-63.8-177.4178.1175.5-1.3111.1Y332 K333 R334 V338Y332-R336 CarbonylContact C-O 3.59Å; Y332-R336 WeakPolarHBondContact CA-O 3.19Å; K333-R336 PolarHBondContact N-O 3.44Å; K333-R336 PolarHBondContact O-N 3.26Å; K333-R336 VanDerWaalsContact O-N 3.17Å; R334-R336 PolarHBondContact O-N 2.79Å; R334-R336 VanDerWaalsContact O-N 3.1Å; R336-V338 PolarHBondContact O-N 2.94Å
337L89.4Confident74.5Confident31 Ų31109.3 Ų109.316%0.16252%0.523CS..EExtended strand (participates in β ladder)trans-68.5119.2168.3-178.264.3000108.6E328 Y332 H339E328-L337 HydrophobicContact CB-CD2 4.23Å; Y332-L337 HydrophobicContact CD1-CB 4.39Å; Y332-L337 HydrophobicContact CD2-CD1 4.15Å; Y332-L337 HydrophobicContact CE1-CB 4.03Å; Y332-L337 HydrophobicContact CE1-CD1 4.45Å; Y332-L337 HydrophobicContact CE2-CD1 3.79Å; L337-H339 VanDerWaalsContact C-N 3.3Å; L337-H339 PolarHBondContact O-N 2.81Å; L337-H339 PolarHBondContact O-ND1 2.83Å
338V87.8Confident72.8Confident77 Ų77105 Ų10547%0.46752%0.516SS..  trans-75.789.6173.8-175.90000107.2K331 K333 R336 G340K331-V338 WeakPolarHBondContact O-CB 3.31Å; K331-V338 PolarHBondContact O-N 2.85Å; K333-V338 HydrophobicContact CB-CG2 3.65Å; R336-V338 PolarHBondContact O-N 2.94Å; V338-G340 PolarHBondContact O-N 2.85Å
339H69.4Low71.2Confident143 Ų143109.3 Ų109.366%0.66254%0.541SS*.  trans-59.7128.7166.5-65.772.8000107.3L337 G341L337-H339 VanDerWaalsContact C-N 3.3Å; L337-H339 PolarHBondContact O-N 2.81Å; L337-H339 PolarHBondContact O-ND1 2.83Å; H339-G341 PolarHBondContact O-N 3Å
340G56Low69.4Low74 Ų74109.2 Ų109.276%0.76355%0.554SS**  trans-60.4106.2169.400000107.9V338V338-G340 PolarHBondContact O-N 2.85Å
341G47.9Very low67.8Low55 Ų55114.4 Ų114.457%0.56758%0.58SS**  trans-52.4156.6167.300000109.3H339 V343H339-G341 PolarHBondContact O-N 3Å; G341-V343 VanDerWaalsContact O-CG2 3.27Å; G341-V343 WeakPolarHBondContact O-CG2 3.22Å; G341-V343 PolarHBondContact O-N 3.35Å
342R45.3Very low66.1Low253 Ų253114.8 Ų114.896%0.95558%0.578SS**  trans-61.279.6-175.8-64.3178.6-177.7172.8-0.1111.4R344R342-R344 PolarHBondContact O-N 3.08Å
343V45.4Very low64.7Low97 Ų97124.6 Ų124.659%0.58862%0.615SS**  trans-71.3115.7179.3-170.40000106.9G341 S345G341-V343 VanDerWaalsContact O-CG2 3.27Å; G341-V343 WeakPolarHBondContact O-CG2 3.22Å; G341-V343 PolarHBondContact O-N 3.35Å; V343-S345 PolarHBondContact O-N 2.83Å
344R46.5Very low63.8Low257 Ų257120.4 Ų120.497%0.9761%0.609SS**  trans-71.162.7171.4-61.7169.191.4159.63.5109.4R342R342-R344 PolarHBondContact O-N 3.08Å
345S50.7Low63.5Low33 Ų33118.7 Ų118.723%0.23161%0.606CS.*  trans-109.5125.2-177.2135.60000108.9V343 L347 R352V343-S345 PolarHBondContact O-N 2.83Å; S345-L347 PolarHBondContact O-N 2.82Å; S345-L347 VanDerWaalsContact O-N 3.1Å; S345-L347 PolarHBondContact OG-N 3.18Å; S345-R352 PolarHBondContact OG-NE 2.91Å; S345-R352 PolarHBondContact OG-NH2 3.37Å
346L51.8Low63.4Low185 Ų185118.6 Ų118.697%0.96961%0.608SS**SBendtrans-70.50.3-178.7-64.2168.7000115
347L55.4Low63.5Low101 Ų101114.4 Ų114.453%0.52960%0.595SS.*SBendtrans-75.3135171.1-72.1176.6000111.4S345 L349S345-L347 PolarHBondContact O-N 2.82Å; S345-L347 VanDerWaalsContact O-N 3.1Å; S345-L347 PolarHBondContact OG-N 3.18Å; L347-L349 PolarHBondContact O-N 3.26Å
348P56.3Low63.7Low75 Ų75119.1 Ų119.149%0.48762%0.616SS.*  trans-52.1126.9176.2-27.333.8000112.4A350 L351P348-A350 PolarHBondContact O-N 3.4Å; P348-A350 VanDerWaalsContact O-N 3.09Å; P348-L351 HydrophobicContact CB-CD1 4.26Å; P348-L351 HydrophobicContact CG-CD1 4.13Å; P348-L351 PolarHBondContact O-N 2.91Å
349L57.1Low64Low146 Ų146120.4 Ų120.476%0.76462%0.616SS**Hα-helixtrans-55.3-31.6-178.6-70.2168.6000112.3L347 R352 R353L347-L349 PolarHBondContact O-N 3.26Å; L349-R352 PolarHBondContact O-N 2.94Å; L349-R353 WeakPolarHBondContact O-CB 3.5Å; L349-R353 PolarHBondContact O-N 2.92Å
350A56.3Low65.3Low78 Ų78113.7 Ų113.765%0.64559%0.585SS**Hα-helixtrans-57.2-47.3175.400000113.3P348 R352 R353 G354P348-A350 PolarHBondContact O-N 3.4Å; P348-A350 VanDerWaalsContact O-N 3.09Å; A350-R352 PolarHBondContact O-N 3.27Å; A350-R353 PolarHBondContact O-N 3.4Å; A350-G354 PolarHBondContact O-N 2.94Å
351L57.3Low67.2Low115 Ų115112.4 Ų112.460%0.60256%0.56SS**Hα-helixtrans-66.7-37.2-178.6-74.5165000112.2P348 K355P348-L351 HydrophobicContact CB-CD1 4.26Å; P348-L351 HydrophobicContact CG-CD1 4.13Å; P348-L351 PolarHBondContact O-N 2.91Å; L351-K355 PolarHBondContact O-N 3.11Å
352R60.6Low69.6Low113 Ų113118.7 Ų118.743%0.42657%0.567SS.*Hα-helixtrans-69.6-37.6173.8-70.8-173.8176.3-131.61.3111.8S345 L349 A350 V356S345-R352 PolarHBondContact OG-NE 2.91Å; S345-R352 PolarHBondContact OG-NH2 3.37Å; L349-R352 PolarHBondContact O-N 2.94Å; A350-R352 PolarHBondContact O-N 3.27Å; R352-V356 WeakPolarHBondContact O-CG2 3.24Å; R352-V356 PolarHBondContact O-N 3.09Å
353R63.8Low72.1Confident206 Ų206106.8 Ų106.878%0.77752%0.522SS*.Hα-helixtrans-66.6-39.8178.7-160.1173.7-174.6-171.90.6111.7L349 A350 V356 K357L349-R353 WeakPolarHBondContact O-CB 3.5Å; L349-R353 PolarHBondContact O-N 2.92Å; A350-R353 PolarHBondContact O-N 3.4Å; R353-V356 PolarHBondContact O-N 3.18Å; R353-K357 PolarHBondContact O-N 2.95Å
354G75Confident74.6Confident41 Ų41102.3 Ų102.342%0.42350%0.496SS..Hα-helixtrans-56.9-54.6172.900000113A350 V356 K357 E358A350-G354 PolarHBondContact O-N 2.94Å; G354-V356 PolarHBondContact O-N 2.94Å; G354-K357 WeakPolarHBondContact O-CB 3.44Å; G354-K357 PolarHBondContact O-N 2.72Å; G354-K357 VanDerWaalsContact O-N 3.1Å; G354-E358 PolarHBondContact O-N 3.42Å
355K83.4Confident77.1Confident145 Ų14595.4 Ų95.463%0.6347%0.474SS*.Hα-helixtrans-63.7-23.2-180-67.2-171.2179.1-169.20114.6L351 K359L351-K355 PolarHBondContact O-N 3.11Å; K355-K359 WeakPolarHBondContact O-CG 3.24Å
356V87.6Confident79.4Confident64 Ų6494 Ų9439%0.38847%0.465SS..Hα-helixtrans-79.7-42.5172.7172.50000110.6R352 R353 G354 K359 V360R352-V356 WeakPolarHBondContact O-CG2 3.24Å; R352-V356 PolarHBondContact O-N 3.09Å; R353-V356 PolarHBondContact O-N 3.18Å; G354-V356 PolarHBondContact O-N 2.94Å; V356-K359 PolarHBondContact O-N 3.05Å; V356-V360 WeakPolarHBondContact O-CG2 3.49Å; V356-V360 PolarHBondContact O-N 3.44Å
357K89.7Confident81.6Confident113 Ų11385.2 Ų85.249%0.49142%0.419SS..Hα-helixtrans-59.5-49.4177.2-171.9-168.2170.6-164.40111.4R353 G354 K359 V360 D361R353-K357 PolarHBondContact O-N 2.95Å; G354-K357 WeakPolarHBondContact O-CB 3.44Å; G354-K357 PolarHBondContact O-N 2.72Å; G354-K357 VanDerWaalsContact O-N 3.1Å; K357-K359 VanDerWaalsContact C-N 3.27Å; K357-K359 PolarHBondContact O-N 2.86Å; K357-V360 CarbonylContact O-C 3.32Å; K357-V360 WeakPolarHBondContact O-CA 3.41Å; K357-V360 WeakPolarHBondContact O-CB 3.21Å; K357-V360 PolarHBondContact O-N 3.02Å; K357-D361 WeakPolarHBondContact CE-OD2 3.49Å; K357-D361 PolarHBondContact O-N 3.21Å
358E93.3Very high83.6Confident131 Ų13186.3 Ų86.361%0.61242%0.416SS*.Hα-helixtrans-51.2-44.2175.8-174-162.6152.800112.6G354 D361 R362G354-E358 PolarHBondContact O-N 3.42Å; E358-D361 PolarHBondContact O-N 2.92Å; E358-R362 PolarHBondContact O-N 3.08Å
359K95.6Very high85.6Confident104 Ų10491 Ų9145%0.45242%0.424SS..Hα-helixtrans-69.9-32.6177.4-69.2-178.2-176-167.10113.2Y317 K355 V356 K357 A363Y317-K359 HydrophobicContact CD1-CB 3.72Å; Y317-K359 HydrophobicContact CD2-CB 4.07Å; Y317-K359 HydrophobicContact CE1-CB 3.82Å; Y317-K359 HydrophobicContact CE1-CD 4.01Å; Y317-K359 HydrophobicContact CE2-CB 4.17Å; Y317-K359 HydrophobicContact CE2-CD 3.92Å; Y317-K359 HydrophobicContact CG-CB 3.86Å; K355-K359 WeakPolarHBondContact O-CG 3.24Å; V356-K359 PolarHBondContact O-N 3.05Å; K357-K359 VanDerWaalsContact C-N 3.27Å; K357-K359 PolarHBondContact O-N 2.86Å; K359-A363 WeakPolarHBondContact O-CB 3.34Å; K359-A363 PolarHBondContact O-N 2.96Å; K359-A363 VanDerWaalsContact O-N 3.12Å
360V95.8Very high87.6Confident1 Ų184.2 Ų84.21%0.00639%0.389CS..Hα-helixtrans-67.4-47.3171.4172.10000110.5Y317 R319 E329 V356 K357 R362 A363 V364Y317-V360 HydrophobicContact CD1-CG2 4.27Å; R319-V360 HydrophobicContact CB-CG1 4.03Å; E329-V360 HydrophobicContact CB-CG1 3.99Å; E329-V360 HydrophobicContact CB-CG2 4.32Å; V356-V360 WeakPolarHBondContact O-CG2 3.49Å; V356-V360 PolarHBondContact O-N 3.44Å; K357-V360 CarbonylContact O-C 3.32Å; K357-V360 WeakPolarHBondContact O-CA 3.41Å; K357-V360 WeakPolarHBondContact O-CB 3.21Å; K357-V360 PolarHBondContact O-N 3.02Å; V360-R362 PolarHBondContact O-N 3.41Å; V360-A363 CarbonylContact O-C 3.6Å; V360-A363 PolarHBondContact O-N 2.82Å; V360-V364 HydrophobicContact CG1-CG2 4.1Å; V360-V364 WeakPolarHBondContact O-CB 3.37Å; V360-V364 VanDerWaalsContact O-CG2 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 2.77Å
361D96.6Very high89.6Confident47 Ų4781.8 Ų81.825%0.25137%0.366SS..Hα-helixtrans-61.4-45-178.5-71.5-35.8000110.6R319 K357 E358 A363 V364 E365R319-D361 IonicContact NH1-OD1 3.57Å; K357-D361 WeakPolarHBondContact CE-OD2 3.49Å; K357-D361 PolarHBondContact O-N 3.21Å; E358-D361 PolarHBondContact O-N 2.92Å; D361-A363 VanDerWaalsContact C-N 3.34Å; D361-A363 PolarHBondContact O-N 2.91Å; D361-V364 WeakPolarHBondContact O-CB 3.47Å; D361-V364 PolarHBondContact O-N 2.64Å; D361-E365 WeakPolarHBondContact O-CG 3.37Å; D361-E365 PolarHBondContact O-N 3Å
362R97.8Very high91.6Very high187 Ų18780.2 Ų80.271%0.70637%0.365SS*.Hα-helixtrans-58.2-39.5170.7175.3176.5161.1140-1.3113.5E358 V360 G366E358-R362 PolarHBondContact O-N 3.08Å; V360-R362 PolarHBondContact O-N 3.41Å; R362-G366 PolarHBondContact O-N 2.98Å
363A97.9Very high93.4Very high3 Ų376 Ų763%0.02535%0.354CS..Hα-helixtrans-72.9-32.6178.400000112.6F294 Y317 K359 V360 D361 G366 A367F294-A363 HydrophobicContact CE1-CB 4.27Å; Y317-A363 WeakPolarHBondContact O-CB 3.34Å; K359-A363 WeakPolarHBondContact O-CB 3.34Å; K359-A363 PolarHBondContact O-N 2.96Å; K359-A363 VanDerWaalsContact O-N 3.12Å; V360-A363 CarbonylContact O-C 3.6Å; V360-A363 PolarHBondContact O-N 2.82Å; D361-A363 VanDerWaalsContact C-N 3.34Å; D361-A363 PolarHBondContact O-N 2.91Å; A363-G366 PolarHBondContact O-N 2.72Å; A363-A367 WeakPolarHBondContact O-CB 3.37Å; A363-A367 PolarHBondContact O-N 2.82Å
364V98.1Very high95.1Very high4 Ų466.1 Ų66.12%0.02432%0.317CS..Hα-helixtrans-65.1-44.8171.1163.40000110.6E306 R319 V360 D361 A367 R368E306-V364 HydrophobicContact CB-CB 4.46Å; E306-V364 HydrophobicContact CB-CG1 4.41Å; E306-V364 HydrophobicContact CB-CG2 3.93Å; R319-V364 HydrophobicContact CB-CG2 4.02Å; V360-V364 HydrophobicContact CG1-CG2 4.1Å; V360-V364 WeakPolarHBondContact O-CB 3.37Å; V360-V364 VanDerWaalsContact O-CG2 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 2.77Å; D361-V364 WeakPolarHBondContact O-CB 3.47Å; D361-V364 PolarHBondContact O-N 2.64Å; V364-A367 PolarHBondContact O-N 2.64Å; V364-R368 WeakPolarHBondContact O-CG 3.27Å; V364-R368 PolarHBondContact O-N 2.83Å
365E98.4Very high96.2Very high112 Ų11271.1 Ų71.152%0.52332%0.323SS..Hα-helixtrans-62.4-42.3174.2-72.6169.5-177.100112D361 R368 R369D361-E365 WeakPolarHBondContact O-CG 3.37Å; D361-E365 PolarHBondContact O-N 3Å; E365-R368 PolarHBondContact O-N 2.91Å; E365-R369 WeakPolarHBondContact O-CG 3.38Å; E365-R369 PolarHBondContact O-N 2.94Å
366G98.6Very high96.9Very high4 Ų469.1 Ų69.14%0.04132%0.316CS..Hα-helixtrans-56.6-47.8170.900000112.1R362 A363 R368 R369 A370R362-G366 PolarHBondContact O-N 2.98Å; A363-G366 PolarHBondContact O-N 2.72Å; G366-R368 PolarHBondContact O-N 2.85Å; G366-R369 PolarHBondContact O-N 3.34Å; G366-A370 WeakPolarHBondContact O-CB 3.49Å; G366-A370 PolarHBondContact O-N 2.79Å
367A98.6Very high97.4Very high0 Ų069.8 Ų69.80%031%0.311CS..Hα-helixtrans-61.8-39.3176.700000112.8V296 E306 A363 V364 A370 V371V296-A367 HydrophobicContact CG2-CB 3.95Å; E306-A367 HydrophobicContact CB-CB 4.36Å; A363-A367 WeakPolarHBondContact O-CB 3.37Å; A363-A367 PolarHBondContact O-N 2.82Å; V364-A367 PolarHBondContact O-N 2.64Å; A367-A370 PolarHBondContact O-N 2.85Å; A367-V371 WeakPolarHBondContact O-CG2 3.41Å; A367-V371 PolarHBondContact O-N 3.03Å
368R98.3Very high97.8Very high124 Ų12466.7 Ų66.747%0.46830%0.299SS..Hα-helixtrans-66.4-44.2176.1-71.5169-178.1-164.5-2112.1E306 V364 E365 G366 A370 V371 S372E306-R368 IonicContact OE1-CZ 2.89Å; E306-R368 IonicContact OE1-NE 2.94Å; E306-R368 PolarHBondContact OE1-NE 3.14Å; E306-R368 IonicContact OE1-NH2 3.3Å; E306-R368 PolarHBondContact OE1-NH2 3.47Å; E306-R368 VanDerWaalsContact OE1-NH2 3.16Å; E306-R368 IonicContact OE2-NH2 2.76Å; V364-R368 WeakPolarHBondContact O-CG 3.27Å; V364-R368 PolarHBondContact O-N 2.83Å; E365-R368 PolarHBondContact O-N 2.91Å; G366-R368 PolarHBondContact O-N 2.85Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 3.09Å; R368-V371 WeakPolarHBondContact O-CB 3.46Å; R368-V371 PolarHBondContact O-N 2.95Å; R368-V371 VanDerWaalsContact O-N 3.16Å; R368-S372 PolarHBondContact O-N 3.32Å; R368-S372 PolarHBondContact O-OG 3.1Å
369R98.6Very high98.1Very high173 Ų17366.8 Ų66.865%0.65330%0.299SS*.Hα-helixtrans-60.8-41.2173.4-72.7-174.7-69.5138-5.7111.9E365 G366 V371 S372 A373E365-R369 WeakPolarHBondContact O-CG 3.38Å; E365-R369 PolarHBondContact O-N 2.94Å; G366-R369 PolarHBondContact O-N 3.34Å; R369-V371 VanDerWaalsContact C-N 3.32Å; R369-V371 PolarHBondContact O-N 3.06Å; R369-S372 PolarHBondContact O-N 3.26Å; R369-A373 PolarHBondContact O-N 3.41Å
370A98.6Very high98.2Very high4 Ų464.2 Ų64.23%0.03329%0.292CS..Hα-helixtrans-65.3-31.5175.100000113.2Y141 F294 G366 A367 R368 A374Y141-A370 HydrophobicContact CD1-CB 4.49Å; Y141-A370 HydrophobicContact CE1-CB 4.09Å; F294-A370 HydrophobicContact CB-CB 3.81Å; F294-A370 VanDerWaalsContact O-CB 3.27Å; F294-A370 WeakPolarHBondContact O-CB 3.39Å; G366-A370 WeakPolarHBondContact O-CB 3.49Å; G366-A370 PolarHBondContact O-N 2.79Å; A367-A370 PolarHBondContact O-N 2.85Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 3.09Å; A370-A374 WeakPolarHBondContact O-CB 3.35Å; A370-A374 PolarHBondContact O-N 2.86Å
371V98.7Very high98.4Very high26 Ų2664.1 Ų64.116%0.15829%0.292CS..Hα-helixtrans-66.7-46.2170.8170.60000111.5A283 V296 A367 R368 R369 A373 A374 R375A283-V371 HydrophobicContact CB-CB 4.44Å; A283-V371 HydrophobicContact CB-CG1 4.19Å; A283-V371 HydrophobicContact CB-CG2 3.99Å; A283-V371 WeakPolarHBondContact O-CG2 3.5Å; V296-V371 HydrophobicContact CB-CG2 3.56Å; V296-V371 HydrophobicContact CG2-CG2 3.41Å; V296-V371 VanDerWaalsContact CG2-CG2 3.41Å; A367-V371 WeakPolarHBondContact O-CG2 3.41Å; A367-V371 PolarHBondContact O-N 3.03Å; R368-V371 WeakPolarHBondContact O-CB 3.46Å; R368-V371 PolarHBondContact O-N 2.95Å; R368-V371 VanDerWaalsContact O-N 3.16Å; R369-V371 VanDerWaalsContact C-N 3.32Å; R369-V371 PolarHBondContact O-N 3.06Å; V371-A373 VanDerWaalsContact C-N 3.35Å; V371-A373 PolarHBondContact O-N 2.97Å; V371-A374 PolarHBondContact O-N 3.12Å; V371-R375 HydrophobicContact CG1-CG 4.45Å; V371-R375 WeakPolarHBondContact O-CG 3.44Å; V371-R375 PolarHBondContact O-N 3.26Å
372S98.6Very high98.5Very high83 Ų8363.9 Ų63.958%0.5830%0.296SS*.Hα-helixtrans-59.9-46.2177.5-56.80000111.2R368 R369 A374 R375 Q376R368-S372 PolarHBondContact O-N 3.32Å; R368-S372 PolarHBondContact O-OG 3.1Å; R369-S372 PolarHBondContact O-N 3.26Å; S372-A374 PolarHBondContact O-N 3.07Å; S372-R375 PolarHBondContact O-N 3.47Å; S372-Q376 PolarHBondContact O-N 2.8Å
373A98.6Very high98.5Very high23 Ų2357.6 Ų57.619%0.1928%0.284CS..Hα-helixtrans-60.6-44.9173.800000112.1Y141 R369 V371 R375 Q376 R377Y141-A373 HydrophobicContact CD1-CB 3.67Å; Y141-A373 HydrophobicContact CD2-CB 4.4Å; Y141-A373 HydrophobicContact CE1-CB 3.85Å; Y141-A373 HydrophobicContact CG-CB 3.98Å; R369-A373 PolarHBondContact O-N 3.41Å; V371-A373 VanDerWaalsContact C-N 3.35Å; V371-A373 PolarHBondContact O-N 2.97Å; A373-R375 PolarHBondContact O-N 2.96Å; A373-Q376 PolarHBondContact O-N 2.93Å; A373-R377 WeakPolarHBondContact O-CG 3.14Å; A373-R377 PolarHBondContact O-N 3.39Å
374A98.6Very high98.5Very high0 Ų062.8 Ų62.80%030%0.303CS..Hα-helixtrans-63.2-3717800000113.4V143 A283 A370 V371 S372 R377 Q378V143-A374 HydrophobicContact CG2-CB 4Å; A283-A374 HydrophobicContact CB-CB 4.29Å; A370-A374 WeakPolarHBondContact O-CB 3.35Å; A370-A374 PolarHBondContact O-N 2.86Å; V371-A374 PolarHBondContact O-N 3.12Å; S372-A374 PolarHBondContact O-N 3.07Å; A374-R377 PolarHBondContact O-N 3.35Å; A374-Q378 VanDerWaalsContact O-CB 3.25Å; A374-Q378 WeakPolarHBondContact O-CB 3.46Å; A374-Q378 PolarHBondContact O-N 2.9Å
375R98.5Very high98.5Very high146 Ų14663 Ų6355%0.55131%0.305SS*.Hα-helixtrans-68-44.4174.3-73.7-178.4176.4-132.9-0.6112V143 V371 S372 A373 R377 Q378 E379V143-R375 HydrophobicContact CG2-CG 4.5Å; V371-R375 HydrophobicContact CG1-CG 4.45Å; V371-R375 WeakPolarHBondContact O-CG 3.44Å; V371-R375 PolarHBondContact O-N 3.26Å; S372-R375 PolarHBondContact O-N 3.47Å; A373-R375 PolarHBondContact O-N 2.96Å; R375-R377 VanDerWaalsContact C-N 3.32Å; R375-R377 PolarHBondContact O-N 2.85Å; R375-Q378 WeakPolarHBondContact O-CA 3.36Å; R375-Q378 WeakPolarHBondContact O-CB 3.34Å; R375-Q378 PolarHBondContact O-N 3.25Å; R375-Q378 VanDerWaalsContact O-N 3.09Å; R375-E379 PolarHBondContact O-N 3.16Å
376Q98.6Very high98.5Very high102 Ų10259.9 Ų59.948%0.47730%0.298SS..Hα-helixtrans-58.8-42.6173.2-169.1-170.527.900111.9S372 A373 E379 V380S372-Q376 PolarHBondContact O-N 2.8Å; A373-Q376 PolarHBondContact O-N 2.93Å; Q376-E379 PolarHBondContact O-N 3.44Å; Q376-V380 WeakPolarHBondContact O-CG2 3.46Å; Q376-V380 PolarHBondContact O-N 2.92Å
377R98.5Very high98.5Very high79 Ų7962.7 Ų62.730%0.29831%0.313SS..Hα-helixtrans-72.9-27176-58.2-49.7167.9-166.1-4.8113Y118 Q132 A373 A374 R375 A381Y118-R377 HydrophobicContact CE1-CB 4.2Å; Y118-R377 HydrophobicContact CE1-CG 4.4Å; Y118-R377 PolarHBondContact OH-NH1 3.32Å; Q132-R377 HydrophobicContact CG-CB 4.29Å; Q132-R377 HydrophobicContact CG-CG 4.28Å; A373-R377 WeakPolarHBondContact O-CG 3.14Å; A373-R377 PolarHBondContact O-N 3.39Å; A374-R377 PolarHBondContact O-N 3.35Å; R375-R377 VanDerWaalsContact C-N 3.32Å; R375-R377 PolarHBondContact O-N 2.85Å; R377-A381 VanDerWaalsContact O-CB 3.22Å; R377-A381 WeakPolarHBondContact O-CB 3.23Å; R377-A381 PolarHBondContact O-N 3.48Å
378Q98.6Very high98.5Very high48 Ų4862.7 Ų62.722%0.22431%0.313CS..Hα-helixtrans-65.5-43.5170.4161.5179.63800111.3Q130 V143 A374 R375 A381 A382Q130-Q378 HydrophobicContact CB-CB 4.18Å; Q130-Q378 HydrophobicContact CB-CG 3.83Å; V143-Q378 HydrophobicContact CB-CB 4.39Å; V143-Q378 HydrophobicContact CG2-CB 4.04Å; V143-Q378 VanDerWaalsContact CG2-OE1 3.29Å; A374-Q378 VanDerWaalsContact O-CB 3.25Å; A374-Q378 WeakPolarHBondContact O-CB 3.46Å; A374-Q378 PolarHBondContact O-N 2.9Å; R375-Q378 WeakPolarHBondContact O-CA 3.36Å; R375-Q378 WeakPolarHBondContact O-CB 3.34Å; R375-Q378 PolarHBondContact O-N 3.25Å; R375-Q378 VanDerWaalsContact O-N 3.09Å; Q378-A381 CarbonylContact O-C 3.57Å; Q378-A381 PolarHBondContact O-N 2.96Å; Q378-A382 WeakPolarHBondContact O-CB 3.32Å; Q378-A382 PolarHBondContact O-N 3.27Å
379E98.4Very high98.5Very high132 Ų13259.8 Ų59.862%0.61731%0.306SS*.Hα-helixtrans-61.8-47.1175.4-71.9161-163.500111.4R375 Q376 A381 A382 A383R375-E379 PolarHBondContact O-N 3.16Å; Q376-E379 PolarHBondContact O-N 3.44Å; E379-A381 VanDerWaalsContact C-N 3.32Å; E379-A381 PolarHBondContact O-N 2.97Å; E379-A382 PolarHBondContact O-N 2.96Å; E379-A383 PolarHBondContact O-N 3.35Å
380V98.6Very high98.5Very high50 Ų5057.6 Ų57.630%0.30331%0.307SS..Hα-helixtrans-60.7-40.8173.8177.90000111.4Y118 Q376 A382 A383 R384Y118-V380 HydrophobicContact CD1-CB 4.04Å; Y118-V380 HydrophobicContact CD1-CG1 3.61Å; Y118-V380 HydrophobicContact CD2-CG1 4.13Å; Y118-V380 HydrophobicContact CE1-CB 3.98Å; Y118-V380 HydrophobicContact CE1-CG1 3.65Å; Y118-V380 HydrophobicContact CE2-CG1 4.18Å; Y118-V380 HydrophobicContact CG-CG1 3.85Å; Q376-V380 WeakPolarHBondContact O-CG2 3.46Å; Q376-V380 PolarHBondContact O-N 2.92Å; V380-A382 VanDerWaalsContact C-N 3.35Å; V380-A383 PolarHBondContact O-N 3.34Å; V380-R384 HydrophobicContact CG1-CG 4.49Å; V380-R384 WeakPolarHBondContact O-CG 3.36Å; V380-R384 PolarHBondContact O-N 3.45Å
381A98.6Very high98.5Very high0 Ų061.2 Ų61.20%032%0.322CS..Hα-helixtrans-68.4-30.9176.500000113.5Y118 G131 R377 Q378 E379 A385Y118-A381 HydrophobicContact CD1-CB 4.48Å; G131-A381 VanDerWaalsContact N-CB 3.34Å; R377-A381 VanDerWaalsContact O-CB 3.22Å; R377-A381 WeakPolarHBondContact O-CB 3.23Å; R377-A381 PolarHBondContact O-N 3.48Å; Q378-A381 CarbonylContact O-C 3.57Å; Q378-A381 PolarHBondContact O-N 2.96Å; E379-A381 VanDerWaalsContact C-N 3.32Å; E379-A381 PolarHBondContact O-N 2.97Å; A381-A385 VanDerWaalsContact O-CB 3.24Å; A381-A385 WeakPolarHBondContact O-CB 3.41Å; A381-A385 PolarHBondContact O-N 2.88Å
382A98.3Very high98.5Very high42 Ų4260.4 Ų60.435%0.34732%0.318SS..Hα-helixtrans-70-44.2173.100000111.1Q378 E379 V380 A385 A386Q378-A382 WeakPolarHBondContact O-CB 3.32Å; Q378-A382 PolarHBondContact O-N 3.27Å; E379-A382 PolarHBondContact O-N 2.96Å; V380-A382 VanDerWaalsContact C-N 3.35Å; A382-A385 PolarHBondContact O-N 3.34Å; A382-A386 PolarHBondContact O-N 3.43Å
383A98.4Very high98.5Very high55 Ų5561.4 Ų61.446%0.45532%0.32SS..Hα-helixtrans-60.2-47.2173.800000111.8E379 V380 A385 A386 D387E379-A383 PolarHBondContact O-N 3.35Å; V380-A383 PolarHBondContact O-N 3.34Å; A383-A385 VanDerWaalsContact C-N 3.32Å; A383-A385 PolarHBondContact O-N 3.48Å; A383-A386 WeakPolarHBondContact O-CB 3.29Å; A383-A386 PolarHBondContact O-N 3.06Å; A383-A386 VanDerWaalsContact O-N 3.11Å; A383-D387 PolarHBondContact O-N 2.88Å
384R98.5Very high98.5Very high111 Ų11162.2 Ų62.242%0.41933%0.327SS..Hα-helixtrans-67-29.6176.1-65.4-50.1-172.6-171.30.5113.7L109 V380 D387 A388L109-R384 HydrophobicContact CD1-CG 4.14Å; L109-R384 HydrophobicContact CG-CB 4.23Å; L109-R384 HydrophobicContact CG-CG 4.22Å; V380-R384 HydrophobicContact CG1-CG 4.49Å; V380-R384 WeakPolarHBondContact O-CG 3.36Å; V380-R384 PolarHBondContact O-N 3.45Å; R384-D387 WeakPolarHBondContact CD-OD2 3.36Å; R384-D387 IonicContact CZ-OD2 2.8Å; R384-D387 IonicContact NH1-OD2 3.45Å; R384-D387 PolarHBondContact NH1-OD2 3.22Å; R384-A388 WeakPolarHBondContact O-CB 3.39Å; R384-A388 PolarHBondContact O-N 3.5Å
385A98.4Very high98.5Very high9 Ų962.2 Ų62.27%0.07433%0.327CS..Hα-helixtrans-67.9-4017000000111.4A107 T120 A381 A382 A383 A388 L389A107-A385 HydrophobicContact CB-CB 4.05Å; A107-A385 WeakPolarHBondContact O-CB 3.43Å; T120-A385 WeakPolarHBondContact OG1-CB 3.17Å; A381-A385 VanDerWaalsContact O-CB 3.24Å; A381-A385 WeakPolarHBondContact O-CB 3.41Å; A381-A385 PolarHBondContact O-N 2.88Å; A382-A385 PolarHBondContact O-N 3.34Å; A383-A385 VanDerWaalsContact C-N 3.32Å; A383-A385 PolarHBondContact O-N 3.48Å; A385-A388 PolarHBondContact O-N 3.02Å; A385-L389 VanDerWaalsContact O-CG 3.24Å; A385-L389 WeakPolarHBondContact O-CG 3.33Å; A385-L389 PolarHBondContact O-N 2.91Å
386A98.4Very high98.5Very high46 Ų4656.5 Ų56.538%0.3831%0.309SS..Hα-helixtrans-62.5-45.5173.900000112.1A382 A383 A388 L389 L390A382-A386 PolarHBondContact O-N 3.43Å; A383-A386 WeakPolarHBondContact O-CB 3.29Å; A383-A386 PolarHBondContact O-N 3.06Å; A383-A386 VanDerWaalsContact O-N 3.11Å; A386-A388 VanDerWaalsContact C-N 3.3Å; A386-A388 PolarHBondContact O-N 2.93Å; A386-L389 WeakPolarHBondContact O-CB 3.25Å; A386-L389 PolarHBondContact O-N 3.02Å; A386-L389 VanDerWaalsContact O-N 3.14Å; A386-L390 PolarHBondContact O-N 3.3Å
387D98.4Very high98.5Very high63 Ų6354 Ų5434%0.33730%0.303SS..Hα-helixtrans-53.9-47.1171.6-69.1-18.4000111.3A383 R384 L389 L390 K391A383-D387 PolarHBondContact O-N 2.88Å; R384-D387 WeakPolarHBondContact CD-OD2 3.36Å; R384-D387 IonicContact CZ-OD2 2.8Å; R384-D387 IonicContact NH1-OD2 3.45Å; R384-D387 PolarHBondContact NH1-OD2 3.22Å; D387-L389 VanDerWaalsContact C-N 3.34Å; D387-L389 PolarHBondContact O-N 3.15Å; D387-L390 PolarHBondContact O-N 3.03Å; D387-K391 WeakPolarHBondContact O-CG 3.35Å; D387-K391 PolarHBondContact O-N 3.44Å
388A98.4Very high98.5Very high0 Ų051 Ų510%029%0.293CS..Hα-helixtrans-65.3-34.8179.100000112.9S95 V97 A107 R384 A385 A386 K391 A392S95-A388 VanDerWaalsContact OG-CA 3.24Å; S95-A388 WeakPolarHBondContact OG-CA 3.45Å; S95-A388 WeakPolarHBondContact OG-CB 3.44Å; V97-A388 HydrophobicContact CG2-CB 4.43Å; A107-A388 HydrophobicContact CB-CB 4.48Å; R384-A388 WeakPolarHBondContact O-CB 3.39Å; R384-A388 PolarHBondContact O-N 3.5Å; A385-A388 PolarHBondContact O-N 3.02Å; A386-A388 VanDerWaalsContact C-N 3.3Å; A386-A388 PolarHBondContact O-N 2.93Å; A388-K391 PolarHBondContact O-N 3.06Å; A388-A392 WeakPolarHBondContact O-CB 3.18Å; A388-A392 PolarHBondContact O-N 3.39Å
389L98.5Very high98.5Very high64 Ų6448.8 Ų48.834%0.33528%0.284SS..Hα-helixtrans-65-45.1173.4-70.3168.9000111.3V97 A385 A386 D387 K391 A392 V393V97-L389 HydrophobicContact CG2-CD2 4.03Å; A385-L389 VanDerWaalsContact O-CG 3.24Å; A385-L389 WeakPolarHBondContact O-CG 3.33Å; A385-L389 PolarHBondContact O-N 2.91Å; A386-L389 WeakPolarHBondContact O-CB 3.25Å; A386-L389 PolarHBondContact O-N 3.02Å; A386-L389 VanDerWaalsContact O-N 3.14Å; D387-L389 VanDerWaalsContact C-N 3.34Å; D387-L389 PolarHBondContact O-N 3.15Å; L389-K391 VanDerWaalsContact C-N 3.34Å; L389-K391 PolarHBondContact O-N 2.81Å; L389-A392 WeakPolarHBondContact O-CB 3.48Å; L389-A392 PolarHBondContact O-N 3.08Å; L389-V393 WeakPolarHBondContact O-CG2 3.43Å; L389-V393 PolarHBondContact O-N 2.68Å
390L98.4Very high98.5Very high126 Ų12648.8 Ų48.866%0.6628%0.283SS*.Hα-helixtrans-60.7-43.3175.1-66.9172.8000111.3A386 D387 A392 V393 A394A386-L390 PolarHBondContact O-N 3.3Å; D387-L390 PolarHBondContact O-N 3.03Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.4Å; L390-V393 PolarHBondContact O-N 3.09Å; L390-A394 PolarHBondContact O-N 2.96Å
391K98.3Very high98.5Very high80 Ų8052.5 Ų52.535%0.34830%0.296SS..Hα-helixtrans-63.5-36.5174.3-68.5-74.1178.5158.20112.6L73 E86 D387 A388 L389 A395L73-K391 HydrophobicContact CD2-CD 4.24Å; E86-K391 HydrophobicContact CG-CD 3.94Å; E86-K391 HydrophobicContact CG-CG 4.43Å; E86-K391 WeakPolarHBondContact OE1-CE 3.34Å; E86-K391 IonicContact OE1-NZ 3.49Å; E86-K391 PolarHBondContact OE1-NZ 3.21Å; D387-K391 WeakPolarHBondContact O-CG 3.35Å; D387-K391 PolarHBondContact O-N 3.44Å; A388-K391 PolarHBondContact O-N 3.06Å; L389-K391 VanDerWaalsContact C-N 3.34Å; L389-K391 PolarHBondContact O-N 2.81Å; K391-A395 VanDerWaalsContact O-CB 3.23Å; K391-A395 WeakPolarHBondContact O-CB 3.29Å; K391-A395 PolarHBondContact O-N 3.34Å
392A98.5Very high98.5Very high9 Ų952.5 Ų52.57%0.07430%0.296CS..Hα-helixtrans-69.3-35175.200000113.3R84 V97 A388 L389 L390 S396R84-A392 HydrophobicContact CB-CB 3.81Å; V97-A392 HydrophobicContact CB-CB 3.88Å; V97-A392 HydrophobicContact CG2-CB 3.55Å; A388-A392 WeakPolarHBondContact O-CB 3.18Å; A388-A392 PolarHBondContact O-N 3.39Å; L389-A392 WeakPolarHBondContact O-CB 3.48Å; L389-A392 PolarHBondContact O-N 3.08Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.4Å; A392-S396 WeakPolarHBondContact O-CB 3.5Å; A392-S396 PolarHBondContact O-N 2.81Å; A392-S396 PolarHBondContact O-OG 2.83Å
393V98.6Very high98.5Very high105 Ų10553.5 Ų53.564%0.63630%0.297SS*.Hα-helixtrans-67.1-48.9172.1171.60000110.2L389 L390 A395 S396 S397L389-V393 WeakPolarHBondContact O-CG2 3.43Å; L389-V393 PolarHBondContact O-N 2.68Å; L390-V393 PolarHBondContact O-N 3.09Å; V393-A395 VanDerWaalsContact C-N 3.34Å; V393-A395 PolarHBondContact O-N 2.81Å; V393-S396 WeakPolarHBondContact O-CA 3.39Å; V393-S396 WeakPolarHBondContact O-CB 3.34Å; V393-S396 PolarHBondContact O-N 2.84Å; V393-S397 PolarHBondContact O-N 3.28Å
394A98.6Very high98.5Very high40 Ų4055.2 Ų55.233%0.33130%0.296SS..Hα-helixtrans-58.6-43.8175.900000112.1L73 L390 S396 S397 V398L73-A394 HydrophobicContact CD1-CB 3.84Å; L390-A394 PolarHBondContact O-N 2.96Å; A394-S396 VanDerWaalsContact C-N 3.28Å; A394-S396 PolarHBondContact O-N 2.8Å; A394-S397 PolarHBondContact O-N 2.96Å; A394-V398 WeakPolarHBondContact O-CG2 3.43Å; A394-V398 PolarHBondContact O-N 3Å
395A98.7Very high98.5Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-62.7-31.817400000113.2L73 V75 K391 V393 A399L73-A395 HydrophobicContact CB-CB 4.28Å; L73-A395 HydrophobicContact CD2-CB 4.41Å; V75-A395 HydrophobicContact CG2-CB 4.39Å; K391-A395 VanDerWaalsContact O-CB 3.23Å; K391-A395 WeakPolarHBondContact O-CB 3.29Å; K391-A395 PolarHBondContact O-N 3.34Å; V393-A395 VanDerWaalsContact C-N 3.34Å; V393-A395 PolarHBondContact O-N 2.81Å; A395-A399 WeakPolarHBondContact O-CB 3.29Å; A395-A399 PolarHBondContact O-N 3.42Å
396S98.6Very high98.5Very high25 Ų2550.1 Ų50.118%0.17528%0.278CS..Hα-helixtrans-69.3-43.4174.9-56.20000111.3A392 V393 A394 V398 A399 E400A392-S396 WeakPolarHBondContact O-CB 3.5Å; A392-S396 PolarHBondContact O-N 2.81Å; A392-S396 PolarHBondContact O-OG 2.83Å; V393-S396 WeakPolarHBondContact O-CA 3.39Å; V393-S396 WeakPolarHBondContact O-CB 3.34Å; V393-S396 PolarHBondContact O-N 2.84Å; A394-S396 VanDerWaalsContact C-N 3.28Å; A394-S396 PolarHBondContact O-N 2.8Å; S396-V398 VanDerWaalsContact C-N 3.34Å; S396-V398 PolarHBondContact O-N 2.77Å; S396-A399 WeakPolarHBondContact O-CB 3.41Å; S396-A399 PolarHBondContact O-N 3.24Å; S396-A399 VanDerWaalsContact O-N 3.17Å; S396-E400 WeakPolarHBondContact O-CG 3.49Å; S396-E400 PolarHBondContact O-N 2.9Å
397S98.6Very high98.5Very high50 Ų5055.1 Ų55.135%0.3529%0.287SS..Hα-helixtrans-64.4-36.7173.8-177.80000112.8V393 A394 E400 K401V393-S397 PolarHBondContact O-N 3.28Å; A394-S397 PolarHBondContact O-N 2.96Å; S397-E400 PolarHBondContact O-N 2.9Å; S397-K401 WeakPolarHBondContact O-CG 3.35Å; S397-K401 PolarHBondContact O-N 2.76Å; S397-K401 VanDerWaalsContact O-N 3.17Å
398V98.8Very high98.4Very high15 Ų1555.5 Ų55.59%0.09129%0.287CS..Hα-helixtrans-66.4-38.6172.5168.80000111.3L50 H64 L73 A394 S396 K401 A402L50-V398 HydrophobicContact CD1-CG1 4.01Å; H64-V398 VanDerWaalsContact CD2-CG1 3.42Å; H64-V398 WeakPolarHBondContact CD2-CG1 3.16Å; H64-V398 WeakPolarHBondContact NE2-CG1 3.44Å; L73-V398 HydrophobicContact CB-CB 4.34Å; L73-V398 HydrophobicContact CB-CG1 4.34Å; L73-V398 HydrophobicContact CB-CG2 4.17Å; L73-V398 HydrophobicContact CD1-CG2 4.18Å; L73-V398 WeakPolarHBondContact O-CG1 3.41Å; A394-V398 WeakPolarHBondContact O-CG2 3.43Å; A394-V398 PolarHBondContact O-N 3Å; S396-V398 VanDerWaalsContact C-N 3.34Å; S396-V398 PolarHBondContact O-N 2.77Å; V398-K401 PolarHBondContact O-N 3.22Å; V398-A402 WeakPolarHBondContact O-CB 3.35Å; V398-A402 PolarHBondContact O-N 3.24Å
399A98.6Very high98.3Very high3 Ų355.5 Ų55.53%0.02529%0.287CS..Hα-helixtrans-64.5-37.8174.900000112.5Q62 V75 A395 S396 A402 V403Q62-A399 HydrophobicContact CB-CB 3.68Å; V75-A399 HydrophobicContact CB-CB 3.99Å; V75-A399 HydrophobicContact CG2-CB 3.77Å; A395-A399 WeakPolarHBondContact O-CB 3.29Å; A395-A399 PolarHBondContact O-N 3.42Å; S396-A399 WeakPolarHBondContact O-CB 3.41Å; S396-A399 PolarHBondContact O-N 3.24Å; S396-A399 VanDerWaalsContact O-N 3.17Å; A399-A402 WeakPolarHBondContact O-CB 3.29Å; A399-A402 PolarHBondContact O-N 3.1Å; A399-V403 WeakPolarHBondContact O-CG2 3.46Å; A399-V403 PolarHBondContact O-N 3.06Å
400E98.6Very high98.2Very high131 Ų13156.2 Ų56.261%0.61229%0.288SS*.Hα-helixtrans-60.9-46.8172.6-71.3160.8-173.500111.6S396 S397 A402 V403 E404S396-E400 WeakPolarHBondContact O-CG 3.49Å; S396-E400 PolarHBondContact O-N 2.9Å; S397-E400 PolarHBondContact O-N 2.9Å; E400-A402 VanDerWaalsContact C-N 3.3Å; E400-A402 PolarHBondContact O-N 3.49Å; E400-V403 PolarHBondContact O-N 2.97Å; E400-E404 PolarHBondContact O-N 3.25Å
401K98.6Very high98Very high129 Ų12953.8 Ų53.856%0.56128%0.275SS*.Hα-helixtrans-61.8-37.9174.4-65.2173.6-173.6-178.50112.3L50 S397 V398 E404 A405L50-K401 HydrophobicContact CD2-CB 4.1Å; S397-K401 WeakPolarHBondContact O-CG 3.35Å; S397-K401 PolarHBondContact O-N 2.76Å; S397-K401 VanDerWaalsContact O-N 3.17Å; V398-K401 PolarHBondContact O-N 3.22Å; K401-E404 PolarHBondContact O-N 3.46Å; K401-A405 WeakPolarHBondContact O-CB 3.47Å; K401-A405 PolarHBondContact O-N 3.4Å
402A98.5Very high97.7Very high0 Ų052.6 Ų52.60%027%0.272CS..Hα-helixtrans-65.9-37.517500000112.4L50 V52 V398 A399 E400 A406L50-A402 HydrophobicContact CD1-CB 3.88Å; L50-A402 HydrophobicContact CG-CB 4.17Å; V52-A402 HydrophobicContact CG2-CB 4.44Å; V398-A402 WeakPolarHBondContact O-CB 3.35Å; V398-A402 PolarHBondContact O-N 3.24Å; A399-A402 WeakPolarHBondContact O-CB 3.29Å; A399-A402 PolarHBondContact O-N 3.1Å; E400-A402 VanDerWaalsContact C-N 3.3Å; E400-A402 PolarHBondContact O-N 3.49Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 2.78Å
403V98.4Very high97.4Very high63 Ų6352.6 Ų52.638%0.38227%0.272SS..Hα-helixtrans-66.6-41.2174.5167.80000111.3V52 Q62 A399 E400 A406 R407V52-V403 HydrophobicContact CG2-CB 4.46Å; V52-V403 HydrophobicContact CG2-CG2 3.84Å; Q62-V403 HydrophobicContact CG-CG2 4.4Å; A399-V403 WeakPolarHBondContact O-CG2 3.46Å; A399-V403 PolarHBondContact O-N 3.06Å; E400-V403 PolarHBondContact O-N 2.97Å; V403-A406 WeakPolarHBondContact O-CB 3.5Å; V403-A406 PolarHBondContact O-N 3.21Å; V403-R407 PolarHBondContact O-N 2.85Å
404E98.3Very high97Very high90 Ų9053 Ų5342%0.42127%0.267SS..Hα-helixtrans-69.3-39.3176.1-168.459.4-159.300111.8E400 K401 A406 R407 M408E400-E404 PolarHBondContact O-N 3.25Å; K401-E404 PolarHBondContact O-N 3.46Å; E404-A406 VanDerWaalsContact C-N 3.3Å; E404-A406 PolarHBondContact O-N 3.37Å; E404-R407 WeakPolarHBondContact O-CB 3.4Å; E404-R407 PolarHBondContact O-N 3.38Å; E404-R407 VanDerWaalsContact O-N 3.16Å; E404-R407 IonicContact OE1-NH1 2.78Å; E404-R407 WeakPolarHBondContact OE2-CD 3.43Å; E404-R407 IonicContact OE2-NH1 3.1Å; E404-M408 WeakPolarHBondContact O-CG 3.31Å; E404-M408 PolarHBondContact O-N 2.96Å
405A98.1Very high96.5Very high6 Ų656.5 Ų56.55%0.0528%0.28CS..Hα-helixtrans-59.6-40.3170.500000112.4Y27 K401 M408 A409Y27-A405 HydrophobicContact CD1-CB 4.4Å; Y27-A405 HydrophobicContact CE1-CB 4.12Å; K401-A405 WeakPolarHBondContact O-CB 3.47Å; K401-A405 PolarHBondContact O-N 3.4Å; A405-M408 PolarHBondContact O-N 3.1Å; A405-A409 WeakPolarHBondContact O-CB 3.47Å; A405-A409 PolarHBondContact O-N 3.03Å
406A98.1Very high95.9Very high8 Ų857.3 Ų57.37%0.06628%0.284CS..Hα-helixtrans-65.5-37.7174.500000112.4S40 V52 A402 V403 E404 A409 K410S40-A406 VanDerWaalsContact O-CB 3.26Å; S40-A406 WeakPolarHBondContact O-CB 3.35Å; V52-A406 HydrophobicContact CB-CB 3.93Å; V52-A406 HydrophobicContact CG2-CB 3.74Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 2.78Å; V403-A406 WeakPolarHBondContact O-CB 3.5Å; V403-A406 PolarHBondContact O-N 3.21Å; E404-A406 VanDerWaalsContact C-N 3.3Å; E404-A406 PolarHBondContact O-N 3.37Å; A406-A409 PolarHBondContact O-N 2.99Å; A406-K410 WeakPolarHBondContact O-CG 3.33Å; A406-K410 PolarHBondContact O-N 3.24Å
407R98.1Very high94.7Very high151 Ų15160.1 Ų60.157%0.5729%0.294SS*.Hα-helixtrans-62.7-48.5174.2-175.4-171.8-176178.70.4111.3V403 E404 A409 K410 L411V403-R407 PolarHBondContact O-N 2.85Å; E404-R407 WeakPolarHBondContact O-CB 3.4Å; E404-R407 PolarHBondContact O-N 3.38Å; E404-R407 VanDerWaalsContact O-N 3.16Å; E404-R407 IonicContact OE1-NH1 2.78Å; E404-R407 WeakPolarHBondContact OE2-CD 3.43Å; E404-R407 IonicContact OE2-NH1 3.1Å; R407-A409 VanDerWaalsContact C-N 3.34Å; R407-A409 PolarHBondContact O-N 3.06Å; R407-K410 PolarHBondContact O-N 3.3Å; R407-L411 PolarHBondContact O-N 2.9Å
408M97.3Very high93Very high70 Ų7061.6 Ų61.635%0.34530%0.303SS..Hα-helixtrans-61.5-41.5176.7-69.7-57.6-61.600112Y27 E404 A405 K410 L411 I412Y27-M408 HydrophobicContact CD1-CB 3.89Å; Y27-M408 HydrophobicContact CD2-CB 4.46Å; Y27-M408 HydrophobicContact CE1-CB 4.01Å; Y27-M408 HydrophobicContact CG-CB 4.13Å; E404-M408 WeakPolarHBondContact O-CG 3.31Å; E404-M408 PolarHBondContact O-N 2.96Å; A405-M408 PolarHBondContact O-N 3.1Å; M408-K410 VanDerWaalsContact C-N 3.33Å; M408-K410 PolarHBondContact O-N 2.82Å; M408-L411 PolarHBondContact O-N 3.3Å; M408-L411 HydrophobicContact SD-CD1 4.31Å; M408-I412 PolarHBondContact O-N 3.43Å
409A97Very high91Very high0 Ų067.2 Ų67.20%033%0.329CS..Hα-helixtrans-58.5-42.5173.900000112.6V29 A405 A406 R407 A413V29-A409 HydrophobicContact CG2-CB 4.07Å; A405-A409 WeakPolarHBondContact O-CB 3.47Å; A405-A409 PolarHBondContact O-N 3.03Å; A406-A409 PolarHBondContact O-N 2.99Å; R407-A409 VanDerWaalsContact C-N 3.34Å; R407-A409 PolarHBondContact O-N 3.06Å; A409-A413 WeakPolarHBondContact O-CB 3.46Å; A409-A413 PolarHBondContact O-N 3.16Å
410K95.8Very high88.9Confident79 Ų7971.7 Ų71.734%0.34335%0.353SS..Hα-helixtrans-68.6-38.7178.3-71.9-178.9-172.3-129.60113V29 E38 S40 A406 R407 M408 A413 Q414V29-K410 HydrophobicContact CG2-CG 3.94Å; E38-K410 WeakPolarHBondContact OE1-CE 2.85Å; E38-K410 IonicContact OE1-NZ 3.79Å; E38-K410 PolarHBondContact OE1-NZ 3.2Å; E38-K410 IonicContact OE2-NZ 3.55Å; E38-K410 PolarHBondContact OE2-NZ 3.46Å; S40-K410 WeakPolarHBondContact OG-CE 3.46Å; A406-K410 WeakPolarHBondContact O-CG 3.33Å; A406-K410 PolarHBondContact O-N 3.24Å; R407-K410 PolarHBondContact O-N 3.3Å; M408-K410 VanDerWaalsContact C-N 3.33Å; M408-K410 PolarHBondContact O-N 2.82Å; K410-A413 PolarHBondContact O-N 3.2Å; K410-Q414 WeakPolarHBondContact O-CB 3.41Å; K410-Q414 VanDerWaalsContact O-CG 3.27Å; K410-Q414 WeakPolarHBondContact O-CG 3.5Å; K410-Q414 PolarHBondContact O-N 3.37Å
411L94.9Very high86.7Confident75 Ų7573 Ų7339%0.39336%0.359SS..Hα-helixtrans-62.3-48.4174-69.3171.8000111R407 M408 A413 Q414 D415R407-L411 PolarHBondContact O-N 2.9Å; M408-L411 PolarHBondContact O-N 3.3Å; M408-L411 HydrophobicContact SD-CD1 4.31Å; L411-A413 VanDerWaalsContact C-N 3.33Å; L411-A413 PolarHBondContact O-N 2.89Å; L411-Q414 WeakPolarHBondContact O-CB 3.41Å; L411-Q414 PolarHBondContact O-N 3.13Å; L411-Q414 VanDerWaalsContact O-N 3.12Å; L411-D415 PolarHBondContact O-N 2.8Å
412I91.9Very high83.9Confident56 Ų5669.9 Ų69.929%0.28736%0.357SS..Hα-helixtrans-62.9-39.3177.2-68.3-176.2000111.6Y27 M408 Q414 D415 L416Y27-I412 HydrophobicContact CD2-CD1 4.13Å; M408-I412 PolarHBondContact O-N 3.43Å; I412-Q414 VanDerWaalsContact C-N 3.33Å; I412-Q414 PolarHBondContact O-N 3.18Å; I412-D415 PolarHBondContact O-N 3.1Å; I412-L416 HydrophobicContact CG2-CD1 3.78Å; I412-L416 HydrophobicContact CG2-CG 4.34Å; I412-L416 WeakPolarHBondContact O-CB 3.42Å; I412-L416 WeakPolarHBondContact O-CD1 3.15Å; I412-L416 WeakPolarHBondContact O-CG 3.5Å; I412-L416 PolarHBondContact O-N 2.58Å
413A91.5Very high81.1Confident8 Ų875.9 Ų75.97%0.06640%0.396CS..Hα-helixtrans-63.9-38174.700000112.5V16 V29 A409 K410 L411 L416 Q417V16-A413 HydrophobicContact CB-CB 4Å; V16-A413 HydrophobicContact CG1-CB 3.9Å; V29-A413 HydrophobicContact CB-CB 4.32Å; V29-A413 HydrophobicContact CG2-CB 3.84Å; A409-A413 WeakPolarHBondContact O-CB 3.46Å; A409-A413 PolarHBondContact O-N 3.16Å; K410-A413 PolarHBondContact O-N 3.2Å; L411-A413 VanDerWaalsContact C-N 3.33Å; L411-A413 PolarHBondContact O-N 2.89Å; A413-L416 PolarHBondContact O-N 3Å; A413-Q417 WeakPolarHBondContact O-CG 3.24Å; A413-Q417 PolarHBondContact O-N 2.9Å
414Q90.5Very high78.4Confident115 Ų11576 Ų7654%0.53741%0.411SS..Hα-helixtrans-67.5-36.1174.4-76.8173.5-12.200112.9K410 L411 I412 P418K410-Q414 WeakPolarHBondContact O-CB 3.41Å; K410-Q414 VanDerWaalsContact O-CG 3.27Å; K410-Q414 WeakPolarHBondContact O-CG 3.5Å; K410-Q414 PolarHBondContact O-N 3.37Å; L411-Q414 WeakPolarHBondContact O-CB 3.41Å; L411-Q414 PolarHBondContact O-N 3.13Å; L411-Q414 VanDerWaalsContact O-N 3.12Å; I412-Q414 VanDerWaalsContact C-N 3.33Å; I412-Q414 PolarHBondContact O-N 3.18Å; Q414-P418 WeakPolarHBondContact O-CD 3.36Å
415D88.1Confident75.6Confident112 Ų11283.4 Ų83.460%0.59943%0.434SS*.Hα-helixtrans-71.9-34176.1-68.3-25.7000112L411 I412L411-D415 PolarHBondContact O-N 2.8Å; I412-D415 PolarHBondContact O-N 3.1Å
416L85.2Confident72.6Confident17 Ų1794.1 Ų94.19%0.08947%0.474CS..Hα-helixtrans-73.8-31.5179.6-70.2169.2000113.1V16 I412 A413 M419 L420V16-L416 HydrophobicContact CG1-CB 3.99Å; V16-L416 HydrophobicContact CG1-CD1 4.08Å; I412-L416 HydrophobicContact CG2-CD1 3.78Å; I412-L416 HydrophobicContact CG2-CG 4.34Å; I412-L416 WeakPolarHBondContact O-CB 3.42Å; I412-L416 WeakPolarHBondContact O-CD1 3.15Å; I412-L416 WeakPolarHBondContact O-CG 3.5Å; I412-L416 PolarHBondContact O-N 2.58Å; A413-L416 PolarHBondContact O-N 3Å; L416-M419 HydrophobicContact CD2-CE 3.73Å; L416-M419 PolarHBondContact O-N 2.99Å; L416-L420 WeakPolarHBondContact O-CD1 3.39Å; L416-L420 VanDerWaalsContact O-CG 3.27Å; L416-L420 WeakPolarHBondContact O-CG 3.45Å; L416-L420 PolarHBondContact O-N 3.2Å
417Q73.8Confident69.8Low84 Ų8499.7 Ų99.739%0.39351%0.509SS..Hα-helixtrans-63.1-52.3-176.9-81.8171.2-12.700113.8A413 M419 L420 E421A413-Q417 WeakPolarHBondContact O-CG 3.24Å; A413-Q417 PolarHBondContact O-N 2.9Å; Q417-M419 VanDerWaalsContact C-N 3.28Å; Q417-M419 PolarHBondContact O-N 3.17Å; Q417-L420 WeakPolarHBondContact O-CB 3.09Å; Q417-L420 PolarHBondContact O-N 3.25Å; Q417-E421 PolarHBondContact O-N 2.85Å
418P63.2Low66.6Low81 Ų81103.9 Ų103.953%0.52653%0.525SS..Hα-helixtrans-60.9-32.1176.7-25.334.7000114Q414 L420 E421 A422Q414-P418 WeakPolarHBondContact O-CD 3.36Å; P418-L420 PolarHBondContact O-N 2.8Å; P418-E421 PolarHBondContact O-N 3.09Å; P418-A422 PolarHBondContact O-N 2.94Å
419M56.3Low63.9Low133 Ų133108.4 Ų108.466%0.65555%0.545SS*.Hα-helixtrans-68.4-24.1174.8-67.5-162.3-63.600112.8L416 Q417L416-M419 HydrophobicContact CD2-CE 3.73Å; L416-M419 PolarHBondContact O-N 2.99Å; Q417-M419 VanDerWaalsContact C-N 3.28Å; Q417-M419 PolarHBondContact O-N 3.17Å
420L55.1Low61Low98 Ų98115.3 Ų115.351%0.51358%0.582SS.*Hα-helixtrans-91.7-25.4177.1-66.1165.3000112.8K6 L416 Q417 P418K6-L420 HydrophobicContact CB-CD1 3.5Å; K6-L420 HydrophobicContact CD-CD1 4.4Å; L416-L420 WeakPolarHBondContact O-CD1 3.39Å; L416-L420 VanDerWaalsContact O-CG 3.27Å; L416-L420 WeakPolarHBondContact O-CG 3.45Å; L416-L420 PolarHBondContact O-N 3.2Å; Q417-L420 WeakPolarHBondContact O-CB 3.09Å; Q417-L420 PolarHBondContact O-N 3.25Å; P418-L420 PolarHBondContact O-N 2.8Å
421E52.2Low58.4Low158 Ų158116.1 Ų116.174%0.73860%0.598SS**Hα-helixtrans-83.9-10176.5-70.7-176.7178.400113.9Q417 P418Q417-E421 PolarHBondContact O-N 2.85Å; P418-E421 PolarHBondContact O-N 3.09Å
422A39.5Very low55.6Low64 Ų64122.2 Ų122.253%0.52962%0.624SS.*SBendtrans-56.7125.9173.200000110.7P418 G424P418-A422 PolarHBondContact O-N 2.94Å; A422-G424 PolarHBondContact O-N 3.4Å
423P40.9Very low52.9Low125 Ų125123.2 Ų123.281%0.81265%0.648SS**  trans-70.798.3-171.426.9-34.4000111R425P423-R425 PolarHBondContact O-N 3.23Å
424G39.8Very low50Low67 Ų67128.5 Ų128.569%0.69169%0.685SS**  trans-58.899.3169.800000110.6A422 R426A422-G424 PolarHBondContact O-N 3.4Å; G424-R426 PolarHBondContact O-N 2.98Å
425R40.7Very low47.4Very low244 Ų244130.3 Ų130.392%0.92170%0.698SS**  trans-52.4112.6167.9-77.2-176.1175.3-114.53.6108.3P423 P427P423-R425 PolarHBondContact O-N 3.23Å; R425-P427 WeakPolarHBondContact O-CD 3.19Å
426R33.8Very low44.9Very low231 Ų231131.7 Ų131.787%0.87271%0.711SS**  trans-82.8118.2161.2-58.4-175-164.5176.75.3107.3G424 R428G424-R426 PolarHBondContact O-N 2.98Å; R426-R428 PolarHBondContact O-N 2.88Å; R426-R428 VanDerWaalsContact O-N 3.14Å
427P39.6Very low42.6Very low126 Ų126139.1 Ų139.182%0.81875%0.745SS**  trans-68.6107.9160-3.320.7000106R425R425-P427 WeakPolarHBondContact O-CD 3.19Å
428R32.3Very low41.7Very low239 Ų239140 Ų14090%0.90276%0.758SS**  trans-95.195.9169.1-163.2172.9-171.51611.4106.7R426R426-R428 PolarHBondContact O-N 2.88Å; R426-R428 VanDerWaalsContact O-N 3.14Å
429Q40.3Very low40.3Very low165 Ų165143.8 Ų143.877%0.77177%0.773SS**  trans-74.5167163.4-91.2-179.9-23.100110
430D35.3Very low39.2Very low144 Ų144143.9 Ų143.977%0.7778%0.776SS**  trans74.7136.2176.9-44-31.8000116.2
431S40.7Very low38.2Very low97 Ų97148 Ų14868%0.67879%0.793SS**  cis-175.2168-24.2-105.20000106.8
432E36.9Very low37.3Very low202 Ų202147 Ų14794%0.94479%0.792SS**  trans69.6135.8177.8-45.2-179.5138.100114.8
433G34.3Very low37Very low77 Ų77148.6 Ų148.679%0.79480%0.8SS**  cis151.7115-4.200000110.6
434S31.6Very low37.5Very low119 Ų119148.8 Ų148.883%0.83280%0.801SS**  trans-171.2122.1163.6-174.20000110.5
435D36.5Very low37.2Very low153 Ų153148.9 Ų148.982%0.81880%0.802SS**  trans-71.4140.8172-56-70.3000111.8
436T34.7Very low36.7Very low141 Ų141143.1 Ų143.187%0.86579%0.794SS**  trans-166.3122.7134.1-2.60000111.9
437E36.8Very low36.6Very low174 Ų174142.9 Ų142.981%0.81380%0.795SS**  trans-127.5166.5163.9-82.1-75.4168.400106.2
438P55.9Low36.2Very low101 Ų101144.1 Ų144.166%0.65679%0.79SS**  cis-125.4-169.3-15.334.5-15.8000111.3
439L32.8Very low36.2Very low162 Ų162139.5 Ų139.585%0.84878%0.783SS**  trans-175.4157.6132.3-99.4174000112.3
440D33.2Very low35.6Very low134 Ų134134.8 Ų134.872%0.71778%0.778SS**  trans-88.9158.4-160.7-46.6-98.7000116.2
441E35.6Very low35.5Very low184 Ų184136.2 Ų136.286%0.8679%0.785SS**  169.1137.5111.8-90.8-169.7135.200115.6
442D31.4Very low35.4Very low137 Ų137137.6 Ų137.673%0.73379%0.79SS**  trans42.9108.4153.6-91-21.8000126.9
443S33.1Very low35.6Very low99 Ų99134 Ų13469%0.69278%0.784SS**  38.1161.4100.9-47.90000123
444P52.8Low35.5Very low128 Ų128135.6 Ų135.683%0.83178%0.783SS**  cis-141-176.9-40.440.2-23000114.2
445G32Very low35.5Very low69 Ų69139.5 Ų139.571%0.71179%0.788SS**  trans157.976.3166.100000114.5
446V30.4Very low35.1Very low123 Ų123136 Ų13675%0.74579%0.787SS**  56.9104.293.8-175.50000114.7
447Y32.7Very low35Very low227 Ų227135 Ų13589%0.8979%0.786SS**  -160.4154.6113.1-113.3-78.1000111.6
448E31.3Very low35.6Very low152 Ų152132.5 Ų132.571%0.7179%0.785SS**  trans-103158.3-161.3-94.1-172.7111.300115.8
449N31.5Very low34.3Very low141 Ų141135.4 Ų135.475%0.75479%0.79SS**  trans52.9142.9142.3-53.4-25.7000120.9
450G29Very low34.5Very low66 Ų66134.8 Ų134.868%0.6879%0.787SS**  cis163.5-178.3-4.600000113.7
451L31.9Very low35.3Very low174 Ų174133.4 Ų133.491%0.91179%0.785SS**  trans68.8119.4154.5-54.6177.7000121.8
452T39.1Very low35Very low127 Ų127130.2 Ų130.278%0.77978%0.783SS**  trans-70.3162.8150.449.80000112.1
453P40.4Very low35.1Very low126 Ų126129.4 Ų129.482%0.81879%0.788SS**  -142.8169.2114.138.1-25.3000115.6
454S32.6Very low36.1Very low111 Ų111130.6 Ų130.678%0.77679%0.794SS**  trans-94.6159.4176.9-50.80000112.8
455E31.1Very low35Very low201 Ų201129.4 Ų129.494%0.93979%0.794SS**  trans146.4151.5134.7-80.1-155.1131.900113.9
456G28.2Very low34.9Very low78 Ų78131.5 Ų131.580%0.80480%0.798SS**  trans123.187.2158.200000118
457S32.6Very low34.9Very low120 Ų120130.3 Ų130.384%0.83980%0.796SS**  trans-105.2158.6150.4-51.90000108.5
458P50.1Low34.8Very low122 Ų122131 Ų13179%0.79280%0.797SS**  -138.2-163.174.343.1-26.3000111.4
459E29.4Very low35Very low163 Ų163132.5 Ų132.576%0.76280%0.803SS**  cis-147.2-163.48.8-136.2-12182.200112
460L36.1Very low35.7Very low149 Ų149130.2 Ų130.278%0.7880%0.796SS**  trans-132.2-161.7-179.1-92.1170.1000108.3
461P50.1Low35.5Very low105 Ų105138.5 Ų138.568%0.68281%0.807SS**  cis-141.9170.14.843.1-24.5000118.3
462S28.6Very low35.5Very low116 Ų116141.3 Ų141.381%0.81181%0.806SS**  -159.9136.9127.60.60000112.8
463S34.4Very low36.2Very low121 Ų121140.8 Ų140.885%0.84680%0.804SS**  trans-175.1171.3179.9-820000106.6
464P53.8Low36.2Very low124 Ų124141.2 Ų141.281%0.80581%0.807SS**  cis-130.4-173.913.144.3-26.6000113.2
465A28.9Very low36Very low102 Ų102140.1 Ų140.184%0.84381%0.805SS**  -157.8153.186.900000112.2
466S30.7Very low35.8Very low113 Ų113136.4 Ų136.479%0.7980%0.8SS**  trans-123.9166177.976.20000111.8
467S30.6Very low35.7Very low99 Ų99144.7 Ų144.769%0.69281%0.807SS**  -173.6132.1127.435.80000115.5
468R31.3Very low35.7Very low242 Ų242144.2 Ų144.291%0.91380%0.803SS**  trans65.2113.4135.5-62.8172.7-176.2-123.1-0.7121.2
469Q34.9Very low35.2Very low182 Ų182144.5 Ų144.585%0.8581%0.805SS**  trans-69.9-179.5142.3-61.6-162.9-3.100110.5
470P45.4Very low35.3Very low93 Ų93144.6 Ų144.660%0.60481%0.81SS**  cis-141.4-158.410.839.8-16.6000116.3
471W25.6Very low36.4Very low240 Ų240142.8 Ų142.891%0.90981%0.807SS**  trans114.7141.9159.7-62.5105.8000119.8
472R32.1Very low36.4Very low234 Ų234144.1 Ų144.188%0.88382%0.816SS**  trans-122.6-177.5161.8-70.6-174.6168.6-156-0.2107.8
473P53.3Low36.5Very low116 Ų116142.2 Ų142.275%0.75382%0.815SS**  -98.2-170.7-82.239-24.4000111.8
474P39.9Very low36.3Very low135 Ų135140.4 Ų140.488%0.87782%0.815SS**  -150.7-159.8111.139.1-20000114.7
475A28.5Very low35.2Very low88 Ų88141.1 Ų141.173%0.72781%0.812SS**  trans-137.3174-154.400000117
476C27.5Very low35.3Very low123 Ų123144.4 Ų144.483%0.83181%0.81SS**  trans60.8127.5152.7-64.20000122.4
477R26Very low35.1Very low251 Ų251142.3 Ų142.395%0.94781%0.806SS**  -173.8147.3120.6-106.7174.6179.9-133.6-0.3114.7
478S32.6Very low35.8Very low110 Ų110143.2 Ų143.277%0.76981%0.81SS**  trans-82.6175.2166.4-37.50000111.4
479P40.2Very low35.6Very low129 Ų129140.9 Ų140.984%0.83881%0.807SS**  -150.7-179.171.138.3-16.1000117.7
480L30.7Very low35.2Very low164 Ų164137.2 Ų137.286%0.85980%0.801SS**  trans-102.5-162.5174.5-69161.9000111
481P59.8Low34.5Very low111 Ų111138.1 Ų138.172%0.72181%0.81SS**  -121.7-167.7-76.240.6-23.9000111.9
482P49.8Very low35.3Very low133 Ų133131.9 Ų131.986%0.86480%0.8SS**  -148.5176.790.437.8-19.3000113.8
483G30Very low35Very low77 Ų77130.2 Ų130.279%0.79480%0.799SS**  cis166.7145.5-8.600000112.5
484G31.1Very low33.6Very low82 Ų82128.2 Ų128.285%0.84579%0.793SS**  trans85145.5168.700000117.9
485D30.4Very low33Very low140 Ų140132.2 Ų132.275%0.74979%0.791SS**  cis-161.7155.6-3.1-159.518.4000113.6
486Q31.2Very low33.3Very low170 Ų170134.1 Ų134.179%0.79480%0.795SS**  trans66.4136.5163.4-37.4-162.316.900123.1
487G26Very low33.3Very low69 Ų69135.6 Ų135.671%0.71179%0.79SS**  trans-104.9-144162.900000111.3
488P45.8Very low33.3Very low118 Ų118130.6 Ų130.677%0.76678%0.777SS**  cis-143-171.10.730.6-4.8000116.2
489F26.5Very low33Very low193 Ų193135.8 Ų135.885%0.84678%0.78SS**  trans92.9137.2151.3-96.9-81000124.6
490S27.7Very low32.3Very low105 Ų105133 Ų13373%0.73478%0.775SS**  trans92.8104.3146.7-60.70000122.2
491S29.8Very low32Very low113 Ų113128.9 Ų128.979%0.7977%0.772SS**  trans-76.3166.2139.1-39.10000109.9
492P41.8Very low31.1Very low109 Ų109130.3 Ų130.371%0.70878%0.781SS**  -160.9173.682.442.5-22.3000118.7
493K25.4Very low29.9Very low198 Ų198127.7 Ų127.786%0.86178%0.778SS**  trans58.4141.1151.2-73.1171.8174.6-177.10120.2
494A25.3Very low29.9Very low75 Ų75128.5 Ų128.562%0.6278%0.778SS**  cis91.4104.919.500000117.4
495W27.2Very low29.6Very low219 Ų219133.8 Ų133.883%0.8378%0.781SS**  trans58.8153.1147.1-65.387.6000118.2E497W495-E497 HydrophobicContact CE3-CG 4.08Å; W495-E497 HydrophobicContact CZ3-CG 4.04Å
496P35.3Very low29.4Very low127 Ų127131.5 Ų131.583%0.82578%0.781SS**  -150.2-173.357.142.9-20.7000118.6
497E26.7Very low29.2Very low155 Ų155131.8 Ų131.872%0.72478%0.782SS**  trans-97.4169.8-176.8-56.5163.5108.900114.4W495W495-E497 HydrophobicContact CE3-CG 4.08Å; W495-E497 HydrophobicContact CZ3-CG 4.04Å
498E25.9Very low29.2Very low145 Ų145136 Ų13668%0.67878%0.783SS**  trans83.8154.5139.7-147.2176.7-151.200122.6
499W27.4Very low28.4Very low220 Ų220137.1 Ų137.183%0.83378%0.782SS**  trans83125.5169.1-52.892.6000117.4
500G24.7Very low28.5Very low70 Ų70132 Ų13272%0.72278%0.776SS**  cis179.9168.9-4.700000112.4
501G25Very low28.4Very low77 Ų77130.4 Ų130.479%0.79478%0.776SS**  trans-77.4-175.7163.600000111.9
502P40.5Very low28.3Very low141 Ų141135.4 Ų135.492%0.91678%0.779SS**  cis-144.8-169.435.242.7-23.3000115.4
503G25.3Very low27.5Very low78 Ų78139.6 Ų139.680%0.80479%0.789SS**  trans146.5127.1157.100000114.9
504A29.6Very low27.9Very low95 Ų95134.6 Ų134.679%0.78578%0.784SS**  trans-134.2148.9-175.800000113.2
505Q24.3Very low28.1Very low193 Ų193139.9 Ų139.990%0.90280%0.796SS**  trans-178.8125.1154.6-97.4153.543.800105.6
506A26Very low28.4Very low91 Ų91137.3 Ų137.375%0.75280%0.799SS**  cis83.793.832.500000114.5
507E27.4Very low28.1Very low176 Ų176140.9 Ų140.982%0.82281%0.805SS**  trans177.7129.4139.1-97.7173.4177.900107.6
508E25.9Very low28.3Very low157 Ų157138.5 Ų138.573%0.73481%0.811SS**  58.8131.597-87.2-164.298.500113.8
509L28.5Very low28.6Very low143 Ų143135 Ų13575%0.74982%0.815SS**  cis-159-176.430.3-114.7153.6000112.8
510A28.6Very low28.8Very low86 Ų86132.9 Ų132.971%0.71182%0.816SS**  trans-27.5158.8169.300000118.4
511G24.9Very low29.1Very low71 Ų71137.8 Ų137.873%0.73282%0.82SS**  cis108.398.621.500000111.8
512Y28Very low29.2Very low218 Ų218137.6 Ų137.686%0.85582%0.818SS**  trans-166.3129.7159.165.5-81.4000105.7
513E26.5Very low29.5Very low196 Ų196137.3 Ų137.392%0.91682%0.816SS**  cis62.514039.8-62.1-132.512000114.3
514A32.6Very low29.6Very low93 Ų93136.9 Ų136.977%0.76981%0.812SS**  trans-117.4150.5-161.600000111.6
515E30.4Very low30.6Very low186 Ų186138 Ų13887%0.86981%0.811SS**  trans-162.5124156.3-103.4150.4-16200106.5
516D32.1Very low30.9Very low165 Ų165139.1 Ų139.188%0.88281%0.807SS**  63.992.981.6-93.4-3.6000113.6
517E29.3Very low31.1Very low203 Ų203141.8 Ų141.895%0.94981%0.809SS**  trans-85.6120.4166.6-86.9-152.8135.400111.8
518A32.3Very low31.1Very low104 Ų104137 Ų13786%0.8681%0.807SS**  trans-122.5118.715500000108.1
519G30.3Very low31.3Very low73 Ų73135.4 Ų135.475%0.75381%0.813SS**  trans-86.1-179.1-163.400000116.7
520M32.6Very low32.1Very low174 Ų174134 Ų13486%0.85781%0.813SS**  trans-143.2174.1166.8-107.8-60.9-174.400111.7
521Q30.1Very low32.2Very low173 Ų173137 Ų13781%0.80882%0.816SS**  trans-95.3170.8-156.7-62.2161.841.100113.9
522G28.5Very low32.5Very low74 Ų74141.7 Ų141.776%0.76382%0.823SS**  trans-73.1-161.7-171.900000116.6
523P45.8Very low32.5Very low134 Ų134135.2 Ų135.287%0.8782%0.823SS**  cis-134.6179.639.440.1-22.4000116.7
524G27.8Very low32.4Very low69 Ų69129.5 Ų129.571%0.71182%0.817SS**  trans-87.4-153.8171.100000113.8
525P50.1Low32.1Very low119 Ų119131 Ų13177%0.77382%0.82SS**  cis-140.4-159.215.139.5-17000115.5
526R30.6Very low32.1Very low216 Ų216127.8 Ų127.882%0.81582%0.818SS**  trans84.8146.9171.1-55.8-173.5179-179.8-2.8116.9
527D30.4Very low31.8Very low147 Ų147127 Ų12779%0.78681%0.814SS**  cis-161.2154.4-20.8-94.9-33.7000107.1
528G28.2Very low31.8Very low77 Ų77123.6 Ų123.679%0.79481%0.813SS**  trans122.6123.8162.500000118.1
529S28.8Very low31.7Very low123 Ų123124.4 Ų124.486%0.8681%0.812SS**  trans-137.1176.9163.3-54.50000106.6
530P46.3Very low31.5Very low113 Ų113124.2 Ų124.273%0.73481%0.81SS**  cis-135.7-144.23.542.8-22.5000112.9
531L31.7Very low31.2Very low148 Ų148121.2 Ų121.278%0.77581%0.807SS**  trans100102.7175.2-54.8180000113.5
532L30Very low31.1Very low170 Ų170120.3 Ų120.389%0.8981%0.806SS**  81.1120.759.6-74.3175.8000114.9
533G27.3Very low30.9Very low83 Ų83127 Ų12786%0.85681%0.809SS**  trans101128.2175.600000113.1
534G26.1Very low30.2Very low76 Ų76128.5 Ų128.578%0.78480%0.804SS**  cis-169.9159.4-6.600000109.9
535C25.7Very low30.3Very low123 Ų123132.7 Ų132.783%0.83181%0.805SS**  trans-71.6147.3176.6-55.30000111.1
536S29.8Very low29.4Very low119 Ų119136.4 Ų136.483%0.83281%0.812SS**  trans-150.1118.6156.9-75.20000109.4
537D27Very low29.3Very low149 Ų149129.4 Ų129.480%0.79781%0.807SS**  trans-71.2158.3174.9-61.6-69.6000111.2
538S28.9Very low29.2Very low132 Ų132132 Ų13292%0.92382%0.815SS**  trans-147.780.7164.1-75.10000110
539S29.1Very low29.4Very low120 Ų120136.1 Ų136.184%0.83982%0.818SS**  trans-91.2133.6162.252.30000110.4
540G26.6Very low29.6Very low70 Ų70139.2 Ų139.272%0.72282%0.819SS**  trans170.996173.300000108.7
541S27.4Very low28.9Very low111 Ų111142 Ų14278%0.77682%0.823SS**  68.5101.686.8-163.30000111.1
542L26.8Very low29Very low153 Ų153140.4 Ų140.480%0.80182%0.821SS**  52.511588.6-89.8166.4000112.8
543R25.7Very low29.1Very low215 Ų215139.7 Ų139.781%0.81182%0.817SS**  trans-145.2123.3158.8-170.2171.2175.5141.32.3108.2E545R543-E545 IonicContact CZ-OE1 3.87Å; R543-E545 IonicContact NE-OE1 2.73Å; R543-E545 PolarHBondContact NE-OE1 3.3Å; R543-E545 IonicContact NH2-OE1 3.57Å; R543-E545 PolarHBondContact NH2-OE1 3.28Å
544E29.5Very low29.3Very low166 Ų166141.7 Ų141.778%0.77682%0.815SS**  trans-94.4152.2173.7-65.2159.1143.700108.1
545E30.5Very low29.5Very low156 Ų156145.4 Ų145.473%0.72982%0.816SS**  trans-137.2105.3169.1-62-93139.300107.3R543R543-E545 IonicContact CZ-OE1 3.87Å; R543-E545 IonicContact NE-OE1 2.73Å; R543-E545 PolarHBondContact NE-OE1 3.3Å; R543-E545 IonicContact NH2-OE1 3.57Å; R543-E545 PolarHBondContact NH2-OE1 3.28Å
546E30.4Very low29.6Very low198 Ų198148 Ų14893%0.92582%0.821SS**  trans-82.1159.9153.2-57.8172.3144.100106.7
547G29.7Very low29.4Very low69 Ų69154 Ų15471%0.71183%0.825SS**  cis157.8145.15.100000107.1
548E28Very low29.4Very low202 Ų202150.8 Ų150.894%0.94482%0.82SS**  trans-140.3125.9172.9-71.2-171.6155.400110.3
549D32.3Very low29.9Very low163 Ų163150.5 Ų150.587%0.87282%0.815SS**  trans-99.8166.3176.2-71.4-62.3000111.3
550E32.4Very low29.9Very low187 Ų187150 Ų15087%0.87482%0.817SS**  trans-167.5161.7144.2-96.9-94.5123.100111.2
551E31.9Very low30Very low173 Ų173150.2 Ų150.281%0.80882%0.82SS**  trans-71.1164.2-154.9-61.8-173.3115.600119.6
552P34.8Very low30.2Very low114 Ų114151.9 Ų151.974%0.7483%0.826SS**  trans-117.5144153.537.7-26.6000114.3
553L30.3Very low30.5Very low154 Ų154153.5 Ų153.581%0.80683%0.829SS**  trans165.1163.3145.3-91.7173.6000109.6
554P33.6Very low31.1Very low126 Ų126149.1 Ų149.182%0.81883%0.829SS**  cis-133.717825.341.3-22.3000118.2
555L28.9Very low31.4Very low154 Ų154149.6 Ų149.681%0.80683%0.831SS**  trans-77.8151.2-179.3-74.5156.1000115
556L27.4Very low31.8Very low178 Ų178147.8 Ų147.893%0.93283%0.833SS**  trans-134.9140.6155.8-86.2172.1000112.7
557R25.4Very low31.8Very low243 Ų243146.2 Ų146.292%0.91783%0.829SS**  trans-72.3165.2176.7-105.4171.2176.6165.1-2.4111.5
558A28.7Very low31.8Very low83 Ų83147.1 Ų147.169%0.68683%0.83SS**  cis-163.1-157.4600000107
559P38.1Very low31.8Very low126 Ų126146.4 Ų146.482%0.81883%0.829SS**  cis-129.7-167.7-14.638.3-17.2000114.5
560A29.5Very low31.6Very low108 Ų108145.9 Ų145.989%0.89383%0.825SS**  trans-67.9154.9-167.900000117.6
561G29.7Very low31.5Very low76 Ų76143.2 Ų143.278%0.78482%0.821SS**  trans-157.2139.7166.300000111
562T31Very low31.4Very low146 Ų146142.3 Ų142.390%0.89682%0.821SS**  trans-82144.8-164.8-37.10000114.1
563E32.1Very low31.1Very low186 Ų186148.7 Ų148.787%0.86983%0.831SS**  trans-75.8147.2170.9-66.3-168.5144.600113.2
564P38.5Very low30.9Very low124 Ų124144.4 Ų144.481%0.80582%0.824SS**  trans-107.5134.2166.835.8-27.9000114
565E36.9Very low30.7Very low176 Ų176144.3 Ų144.382%0.82283%0.826SS**PPolyproline II helixtrans-66.5153.9171.2-81.3-89.1146.700113.8
566P38Very low30.7Very low117 Ų117142.3 Ų142.376%0.7683%0.825SS**PPolyproline II helixtrans-82.4118.6178.832.3-33.4000113.4
567I31.3Very low30.8Very low165 Ų165139.1 Ų139.185%0.84682%0.817SS**PPolyproline II helixtrans-83.6132.1176.7-66.9175.2000111.8
568A30.1Very low31Very low88 Ų88139.4 Ų139.473%0.72782%0.818SS**PPolyproline II helixtrans-71.3136.1175.300000112.9L570A568-L570 PolarHBondContact O-N 3.27Å
569M27.2Very low31Very low188 Ų188139 Ų13993%0.92682%0.823SS**  trans-78.6103.9175.7-79.3-95.4-77.100111.6
570L28.3Very low31.6Very low152 Ų152138.7 Ų138.780%0.79682%0.82SS**  trans-76.7121.7169.9-107.5159.1000110.8A568A568-L570 PolarHBondContact O-N 3.27Å
571V29.8Very low31.6Very low130 Ų130141.4 Ų141.479%0.78882%0.82SS**  trans-88.8114.2168.8176.40000108.8
572L29.3Very low31.7Very low155 Ų155142.2 Ų142.281%0.81282%0.819SS**  trans-115.5123.5169.4-73.9173.3000110.4
573R28.7Very low31.6Very low248 Ų248138.6 Ų138.694%0.93681%0.811SS**  trans-102.5141.4168.2-90.2-178.6166.4179.9-3.8109.4
574G26.3Very low31.4Very low64 Ų64135.6 Ų135.666%0.6681%0.809SS**  trans-134.1123.8163.300000111
575S30.1Very low31Very low123 Ų123136.3 Ų136.386%0.8681%0.805SS**  trans47.5143130.856.70000120.9
576S29Very low30.6Very low112 Ų112133.4 Ų133.478%0.78380%0.8SS**  cis-168.3152.1-0.2168.60000109.6
577S29Very low30.4Very low111 Ų111135.9 Ų135.978%0.77680%0.801SS**  trans-171.4126.6138.138.90000114.9
578R29.1Very low30.5Very low250 Ų250135.5 Ų135.594%0.94380%0.796SS**  trans44131.1146-69-178.9170174.2-3.5122.7
579G29.4Very low30.6Very low75 Ų75138.7 Ų138.777%0.77380%0.8SS**  trans128.5113.1139.800000115.4
580P51.4Low30.7Very low119 Ų119133.3 Ų133.377%0.77379%0.792SS**  trans-105.1156.7-177.239.3-32.8000114.2
581D29.3Very low30.9Very low165 Ų165135 Ų13588%0.88280%0.796SS**  trans177.6152.7146.6-90.7-26.5000106.3
582A30.3Very low32.2Very low93 Ų93133.9 Ų133.977%0.76979%0.791SS**  cis175.1137.9-25.200000104.7
583G29.2Very low32.4Very low70 Ų70131.1 Ų131.172%0.72279%0.791SS**  trans115.2121.8163.300000118.7
584C28.1Very low32.5Very low123 Ų123124.3 Ų124.383%0.83179%0.788SS**  64.2133.3123.2-76.10000119.7
585L29.4Very low33Very low138 Ų138127.7 Ų127.772%0.72380%0.796SS**  cis-154139.56.6-91.2153.4000107.1
586T29.8Very low33Very low115 Ų115131 Ų13171%0.70680%0.798SS**  43.2136.2103.375.40000115.2
587E33.4Very low33.3Very low169 Ų169136.9 Ų136.979%0.7980%0.803SS**  cis-151.3156.731.8-78.6-172.5130.600113.5
588E32.8Very low33.7Very low158 Ų158137.9 Ų137.974%0.73881%0.807SS**  39.6151.4124.9-49.4-106.8102.300120.8
589L32.9Very low33.9Very low154 Ų154130.8 Ų130.881%0.80680%0.802SS**  cis-165155.2-4.5-118.9173.8000107.1
590G28.3Very low34.5Very low75 Ų75135.9 Ų135.977%0.77381%0.805SS**  trans148.694.4162.600000117.6
591E34.2Very low34.1Very low189 Ų189136.3 Ų136.388%0.88381%0.808SS**  trans-135.6169.8164.9-116-158.1147.400107.9
592P56.9Low34.9Very low105 Ų105132.2 Ų132.268%0.68281%0.805SS**  cis-137.7-171.3-5.434.9-13.6000115.3
593A32.4Very low35.9Very low98 Ų98132.8 Ų132.881%0.8181%0.81SS**  trans85.9110.7147.700000121.1
594A32.1Very low37.4Very low105 Ų105133.5 Ų133.587%0.86881%0.809SS**  -163.6147.4115.900000112.2
595T35Very low39.3Very low135 Ų135132.8 Ų132.883%0.82880%0.797SS**  trans-78.3140.3-177-45.30000113.1
596E31.3Very low41.1Very low193 Ų193130.9 Ų130.990%0.90279%0.793SS**  trans-165.5171137.9-115.4173.3-167.300115.6
597R35Very low42.8Very low234 Ų234132.3 Ų132.388%0.88380%0.795SS**PPolyproline II helixtrans-91.3162.7-163.8-78.4177.2175.7172.8-1.2114.1
598P37.8Very low44.4Very low132 Ų132128.8 Ų128.886%0.85779%0.785SS**PPolyproline II helixtrans-73.8141.8-177.130.1-36.3000113.9
599A33.8Very low46.3Very low101 Ų101125.7 Ų125.784%0.83578%0.777SS**PPolyproline II helixtrans-100.1154.7175.200000112.7
600Q42.1Very low48.2Very low182 Ų182120 Ų12085%0.8576%0.755SS**PPolyproline II helixtrans-76.8159.4-175.9-72.1-169.9-8.300114.1
601P42.6Very low50.4Low128 Ų128119 Ų11983%0.83174%0.739SS**PPolyproline II helixtrans-64.7138.1169.727.9-34.8000111.7
602G44.5Very low52.5Low80 Ų80113.7 Ų113.783%0.82572%0.72SS**PPolyproline II helixtrans-70.6145.9-169.500000115.3
603A51.7Low53.4Low105 Ų105111 Ų11187%0.86871%0.707SS**PPolyproline II helixtrans-69.6144.4176.400000112.7
604A62.3Low55.8Low84 Ų84111.8 Ų111.869%0.69470%0.697SS**PPolyproline II helixtrans-67.6144.3174.300000111.7
605N67.9Low58.2Low108 Ų108112.2 Ų112.258%0.57868%0.684SS**PPolyproline II helixtrans-72.3117.7-171.6-149.7-19.9000110.5L607 V608N605-L607 PolarHBondContact O-N 3.31Å; N605-L607 VanDerWaalsContact O-N 3.1Å; N605-V608 HydrophobicContact CB-CG2 4.25Å; N605-V608 WeakPolarHBondContact O-CB 3.37Å; N605-V608 PolarHBondContact O-N 3.45Å
606P67.3Low60.4Low99 Ų99110.5 Ų110.564%0.64367%0.67SS**Hα-helixtrans-64.3-23.3-167.923.5-34.5000114V608 V609 G610P606-V608 VanDerWaalsContact C-N 3.3Å; P606-V608 PolarHBondContact O-N 2.89Å; P606-V609 PolarHBondContact O-N 3.27Å; P606-G610 PolarHBondContact O-N 2.91Å
607L64.1Low63Low145 Ų145107.1 Ų107.176%0.75966%0.657SS**Hα-helixtrans-63.3-32.8172.8-71.5169.3000113N605 A611N605-L607 PolarHBondContact O-N 3.31Å; N605-L607 VanDerWaalsContact O-N 3.1Å; L607-A611 WeakPolarHBondContact O-CB 3.4Å; L607-A611 PolarHBondContact O-N 3.46Å; L607-A611 VanDerWaalsContact O-N 3.08Å
608V67.5Low65.2Low94 Ų9499.1 Ų99.157%0.5764%0.637SS**Hα-helixtrans-74.1-41.2178.4-179.70000110.3N605 P606 A611 V612N605-V608 HydrophobicContact CB-CG2 4.25Å; N605-V608 WeakPolarHBondContact O-CB 3.37Å; N605-V608 PolarHBondContact O-N 3.45Å; P606-V608 VanDerWaalsContact C-N 3.3Å; P606-V608 PolarHBondContact O-N 2.89Å; V608-A611 PolarHBondContact O-N 3.2Å; V608-V612 WeakPolarHBondContact O-CG2 3.47Å; V608-V612 PolarHBondContact O-N 3.31Å; V608-V612 VanDerWaalsContact O-N 3.15Å
609V72.6Confident67.5Low93 Ų9397.2 Ų97.256%0.56462%0.619SS**Hα-helixtrans-63-42.8175.9-175.80000110.8P606 V612 A613P606-V609 PolarHBondContact O-N 3.27Å; V609-V612 PolarHBondContact O-N 3.29Å; V609-A613 PolarHBondContact O-N 3.16Å; V609-A613 VanDerWaalsContact O-N 3.16Å
610G72.1Confident69.9Low34 Ų3495.1 Ų95.135%0.35160%0.602SS.*Hα-helixtrans-63.1-39.1174.700000113.6P606 A613 L614P606-G610 PolarHBondContact O-N 2.91Å; G610-A613 PolarHBondContact O-N 3.44Å; G610-L614 WeakPolarHBondContact O-CG 3.45Å; G610-L614 PolarHBondContact O-N 2.69Å; G610-L614 VanDerWaalsContact O-N 3.11Å
611A76.1Confident71.9Confident54 Ų5492.9 Ų92.945%0.44659%0.59SS.*Hα-helixtrans-66.3-38.5178.600000113L607 V608 L615L607-A611 WeakPolarHBondContact O-CB 3.4Å; L607-A611 PolarHBondContact O-N 3.46Å; L607-A611 VanDerWaalsContact O-N 3.08Å; V608-A611 PolarHBondContact O-N 3.2Å; A611-L615 PolarHBondContact O-N 3.34Å
612V77.1Confident73.9Confident78 Ų7892 Ų9247%0.47358%0.577SS.*Hα-helixtrans-66.9-47.4175.6175.70000110.8V608 V609 L614 L615 D616V608-V612 WeakPolarHBondContact O-CG2 3.47Å; V608-V612 PolarHBondContact O-N 3.31Å; V608-V612 VanDerWaalsContact O-N 3.15Å; V609-V612 PolarHBondContact O-N 3.29Å; V612-L614 VanDerWaalsContact C-N 3.28Å; V612-L614 PolarHBondContact O-N 3.02Å; V612-L615 WeakPolarHBondContact O-CB 3.38Å; V612-L615 PolarHBondContact O-N 3.18Å; V612-D616 PolarHBondContact O-N 3.47Å
613A77.3Confident75.8Confident49 Ų4994.6 Ų94.641%0.40557%0.566SS.*Hα-helixtrans-60.4-34.917900000113.4V609 G610 L617V609-A613 PolarHBondContact O-N 3.16Å; V609-A613 VanDerWaalsContact O-N 3.16Å; G610-A613 PolarHBondContact O-N 3.44Å; A613-L617 WeakPolarHBondContact O-CB 3.49Å; A613-L617 WeakPolarHBondContact O-CG 3.49Å; A613-L617 PolarHBondContact O-N 3.47Å; A613-L617 VanDerWaalsContact O-N 3.11Å
614L80.8Confident77.1Confident115 Ų11592.9 Ų92.960%0.60255%0.548SS*.Hα-helixtrans-72.3-32.7175.4-72.1172.1000113G610 V612 S618G610-L614 WeakPolarHBondContact O-CG 3.45Å; G610-L614 PolarHBondContact O-N 2.69Å; G610-L614 VanDerWaalsContact O-N 3.11Å; V612-L614 VanDerWaalsContact C-N 3.28Å; V612-L614 PolarHBondContact O-N 3.02Å; L614-S618 WeakPolarHBondContact O-CB 3.47Å; L614-S618 PolarHBondContact O-N 2.9Å; L614-S618 PolarHBondContact O-OG 3.15Å
615L84.2Confident77.9Confident113 Ų11394.7 Ų94.759%0.59254%0.542SS*.Hα-helixtrans-67.3-44.9173-81.6164.9000111.3A611 V612 S618 L619A611-L615 PolarHBondContact O-N 3.34Å; V612-L615 WeakPolarHBondContact O-CB 3.38Å; V612-L615 PolarHBondContact O-N 3.18Å; L615-S618 WeakPolarHBondContact O-CB 3.3Å; L615-S618 PolarHBondContact O-N 3.35Å; L615-L619 PolarHBondContact O-N 3.03Å
616D81Confident78.4Confident100 Ų10096.4 Ų96.454%0.53555%0.55SS.*Hα-helixtrans-64-41.6178.7-70.3-25.6000112V612 S618 L619 A620V612-D616 PolarHBondContact O-N 3.47Å; D616-S618 VanDerWaalsContact C-N 3.33Å; D616-S618 PolarHBondContact O-N 2.88Å; D616-L619 PolarHBondContact O-N 3.2Å; D616-A620 WeakPolarHBondContact O-CB 3.45Å; D616-A620 PolarHBondContact O-N 3.07Å
617L84.6Confident78.9Confident121 Ų12198.7 Ų98.763%0.63456%0.556SS**Hα-helixtrans-63.7-37.1173.1-79.3165.6000112.6A613 F621A613-L617 WeakPolarHBondContact O-CB 3.49Å; A613-L617 WeakPolarHBondContact O-CG 3.49Å; A613-L617 PolarHBondContact O-N 3.47Å; A613-L617 VanDerWaalsContact O-N 3.11Å; L617-F621 WeakPolarHBondContact O-CB 3.44Å; L617-F621 PolarHBondContact O-N 3Å
618S81.8Confident78.9Confident67 Ų6799.4 Ų99.447%0.46957%0.567SS.*Hα-helixtrans-68-40176.4-58.40000111.8L614 L615 D616 F621 L622L614-S618 WeakPolarHBondContact O-CB 3.47Å; L614-S618 PolarHBondContact O-N 2.9Å; L614-S618 PolarHBondContact O-OG 3.15Å; L615-S618 WeakPolarHBondContact O-CB 3.3Å; L615-S618 PolarHBondContact O-N 3.35Å; D616-S618 VanDerWaalsContact C-N 3.33Å; D616-S618 PolarHBondContact O-N 2.88Å; S618-F621 PolarHBondContact O-N 3.02Å; S618-L622 WeakPolarHBondContact O-CG 3.44Å; S618-L622 PolarHBondContact O-N 3.46Å
619L86Confident79.4Confident91 Ų9199.7 Ų99.748%0.47657%0.567SS.*Hα-helixtrans-65.8-43.9174.2-105.3144.8000111.8L615 D616 F621 L622 F623L615-L619 PolarHBondContact O-N 3.03Å; D616-L619 PolarHBondContact O-N 3.2Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.08Å; L619-L622 PolarHBondContact O-N 3.28Å; L619-F623 HydrophobicContact CD2-CD2 4.22Å; L619-F623 HydrophobicContact CD2-CE2 4.08Å; L619-F623 PolarHBondContact O-N 3.07Å
620A84.2Confident79.8Confident58 Ų58100 Ų10048%0.47957%0.567SS.*Hα-helixtrans-61.6-40.1175.500000112.2D616 F623 S624D616-A620 WeakPolarHBondContact O-CB 3.45Å; D616-A620 PolarHBondContact O-N 3.07Å; A620-F623 PolarHBondContact O-N 3.16Å; A620-S624 WeakPolarHBondContact O-CB 3.38Å; A620-S624 PolarHBondContact O-N 3.11Å
621F84.7Confident80.2Confident135 Ų135103.7 Ų103.759%0.59258%0.579SS**Hα-helixtrans-66.2-42.3175.7-171.4-95.7000112.3L617 S618 L619 S624 Q625L617-F621 WeakPolarHBondContact O-CB 3.44Å; L617-F621 PolarHBondContact O-N 3Å; S618-F621 PolarHBondContact O-N 3.02Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.08Å; F621-S624 PolarHBondContact O-N 3.1Å; F621-Q625 HydrophobicContact CD1-CG 4.16Å; F621-Q625 HydrophobicContact CE1-CG 3.86Å; F621-Q625 HydrophobicContact CZ-CG 4.3Å; F621-Q625 VanDerWaalsContact O-CG 3.3Å; F621-Q625 WeakPolarHBondContact O-CG 3.49Å; F621-Q625 PolarHBondContact O-N 3.26Å
622L84Confident80.5Confident109 Ų109106.6 Ų106.657%0.57159%0.587SS**Hα-helixtrans-64.1-40.6174.8-75168.6000112.3S618 L619 Q625 L626S618-L622 WeakPolarHBondContact O-CG 3.44Å; S618-L622 PolarHBondContact O-N 3.46Å; L619-L622 PolarHBondContact O-N 3.28Å; L622-Q625 PolarHBondContact O-N 3.11Å; L622-L626 PolarHBondContact O-N 3.5Å
623F84.7Confident80.7Confident135 Ų135108.4 Ų108.459%0.59259%0.594SS**Hα-helixtrans-64.5-38.9172.9-98.2-82.9000112.2L619 A620 Q625 L626 L627L619-F623 HydrophobicContact CD2-CD2 4.22Å; L619-F623 HydrophobicContact CD2-CE2 4.08Å; L619-F623 PolarHBondContact O-N 3.07Å; A620-F623 PolarHBondContact O-N 3.16Å; F623-Q625 VanDerWaalsContact C-N 3.31Å; F623-Q625 PolarHBondContact O-N 2.95Å; F623-L626 PolarHBondContact O-N 3.44Å; F623-L626 VanDerWaalsContact O-N 3.16Å; F623-L627 WeakPolarHBondContact O-CG 3.34Å; F623-L627 PolarHBondContact O-N 2.99Å
624S79Confident80.9Confident69 Ų69112.3 Ų112.348%0.48361%0.606SS.*Hα-helixtrans-65.6-32.7176-170.10000113A620 F621 L626 T628A620-S624 WeakPolarHBondContact O-CB 3.38Å; A620-S624 PolarHBondContact O-N 3.11Å; F621-S624 PolarHBondContact O-N 3.1Å; S624-L626 VanDerWaalsContact C-N 3.3Å; S624-T628 PolarHBondContact O-OG1 3.41Å
625Q78.3Confident80.9Confident122 Ų122112.1 Ų112.157%0.5761%0.606SS**Hα-helixtrans-75.1-17.4174.6-68.8-98.8-59.200113.1F621 L622 F623F621-Q625 HydrophobicContact CD1-CG 4.16Å; F621-Q625 HydrophobicContact CE1-CG 3.86Å; F621-Q625 HydrophobicContact CZ-CG 4.3Å; F621-Q625 VanDerWaalsContact O-CG 3.3Å; F621-Q625 WeakPolarHBondContact O-CG 3.49Å; F621-Q625 PolarHBondContact O-N 3.26Å; L622-Q625 PolarHBondContact O-N 3.11Å; F623-Q625 VanDerWaalsContact C-N 3.31Å; F623-Q625 PolarHBondContact O-N 2.95Å
626L78.7Confident80.7Confident144 Ų144112.1 Ų112.175%0.75461%0.608SS**THydrogen-bonded Turntrans-92.3-7.7176.9-104.1148.1000113.1L622 F623 S624L622-L626 PolarHBondContact O-N 3.5Å; F623-L626 PolarHBondContact O-N 3.44Å; F623-L626 VanDerWaalsContact O-N 3.16Å; S624-L626 VanDerWaalsContact C-N 3.3Å
627L77.8Confident80.6Confident147 Ų147113.1 Ų113.177%0.7761%0.614SS**  trans-112.16.6-179.3-69.3169.9000112.8F623F623-L627 WeakPolarHBondContact O-CG 3.34Å; F623-L627 PolarHBondContact O-N 2.99Å
628T63.8Low80.3Confident159 Ų159112.4 Ų112.498%0.97561%0.612SS**  trans-1260176.856.30000111S624S624-T628 PolarHBondContact O-OG1 3.41Å

Retrieved 628 of 628 residues in 221.5 ms (Link to these results)

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