A0A096N1T0_PAPAN Loading...

N-acetylaspartylglutamate synthase

AlphaFold DB (A0A5F7ZAH8), UniProt , Accession A0A096N1T0, Species PAPAN (Papio anubis, Olive baboon), Gene RIMKLA, Length 391 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M64.4Low91.8Very high205 Ų20540.2 Ų40.2100%1.0119%0.194SC*.  0148.90-68.5-179.5-158.100109R306M1-R306 PolarHBondContact O-NE 3.14Å; M1-R306 VanDerWaalsContact O-NE 3.14Å; M1-R306 PolarHBondContact O-NH2 3.3Å
2C83.3Confident91.6Very high41 Ų4146.8 Ų46.828%0.27722%0.216SC..  trans-70.2129.5171.3170.20000108.1D34 R36 R306C2-D34 PolarHBondContact SG-O 3.1Å; C2-R36 PolarHBondContact SG-N 2.88Å; C2-R306 VanDerWaalsContact CA-NH2 3.27Å; C2-R306 VanDerWaalsContact N-NH2 3.15Å
3S93.7Very high91.4Very high18 Ų1844.8 Ų44.813%0.12621%0.207CC..  trans-64.2142.2179.9-49.70000109.4V35 R36 D68S3-V35 WeakPolarHBondContact O-CG1 3.34Å; S3-R36 PolarHBondContact O-N 3.37Å; S3-D68 VanDerWaalsContact CA-OD2 3.28Å; S3-D68 WeakPolarHBondContact CA-OD2 3.09Å
4Q95.9Very high91.4Very high18 Ų1848.9 Ų48.98%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-114.5121.4-174.1-68.3-17392.800110.2R36 T65 F66 P67 D68 V69Q4-R36 WeakPolarHBondContact CA-O 3.48Å; Q4-R36 HydrophobicContact CG-CB 4.06Å; Q4-R36 HydrophobicContact CG-CG 4.42Å; Q4-T65 PolarHBondContact NE2-OG1 3.09Å; Q4-F66 PolarHBondContact NE2-O 2.97Å; Q4-P67 HydrophobicContact CB-CB 4.5Å; Q4-D68 PolarHBondContact N-OD2 3.24Å; Q4-D68 PolarHBondContact O-N 3.41Å; Q4-V69 PolarHBondContact O-N 3.43Å
5L97.9Very high91.5Very high0 Ų054.9 Ų54.90%025%0.249CC..EExtended strand (participates in β ladder)trans-118.8128.6177.8-170.1154.1000110.1L26 V35 R36 F37 R38 V69 T299 M300 L303L5-L26 HydrophobicContact CD1-CD2 4.12Å; L5-L26 HydrophobicContact CD2-CD1 4.07Å; L5-L26 HydrophobicContact CD2-CD2 3.98Å; L5-V35 HydrophobicContact CB-CG1 3.79Å; L5-R36 PolarHBondContact N-O 2.82Å; L5-R36 VanDerWaalsContact N-O 3.1Å; L5-F37 HydrophobicContact CB-CD2 4.5Å; L5-F37 HydrophobicContact CD2-CD2 3.61Å; L5-F37 HydrophobicContact CD2-CE2 3.6Å; L5-F37 WeakPolarHBondContact O-CA 3.33Å; L5-F37 WeakPolarHBondContact O-CD2 3.37Å; L5-R38 PolarHBondContact O-N 3.2Å; L5-V69 WeakPolarHBondContact CA-O 3.46Å; L5-T299 HydrophobicContact CD1-CG2 3.82Å; L5-T299 HydrophobicContact CG-CG2 4.43Å; L5-M300 HydrophobicContact CD1-SD 3.66Å; L5-L303 HydrophobicContact CB-CD2 4.18Å; L5-L303 HydrophobicContact CD1-CD1 4.12Å; L5-L303 HydrophobicContact CD1-CD2 4.42Å; L5-L303 HydrophobicContact CD1-CG 4.41Å
6W98.4Very high91.5Very high1 Ų155.8 Ų55.80%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-109.8139.7172.2-71.113.4000111.7R38 V40 I45 L56 L63 P67 V69 V70 L71W6-R38 CarbonylContact C-O 3.56Å; W6-R38 VanDerWaalsContact CA-O 3.29Å; W6-R38 WeakPolarHBondContact CA-O 3.28Å; W6-R38 HydrophobicContact CG-CB 4.29Å; W6-V40 HydrophobicContact CD2-CG2 3.96Å; W6-V40 HydrophobicContact CE3-CB 4.38Å; W6-V40 HydrophobicContact CE3-CG2 3.87Å; W6-V40 HydrophobicContact CG-CG2 4.37Å; W6-V40 HydrophobicContact CZ3-CG2 4.3Å; W6-I45 HydrophobicContact CZ3-CD1 4.32Å; W6-L56 HydrophobicContact CH2-CD2 3.58Å; W6-L56 HydrophobicContact CZ3-CD2 3.88Å; W6-L63 HydrophobicContact CH2-CD1 3.44Å; W6-L63 VanDerWaalsContact CH2-CD1 3.44Å; W6-L63 HydrophobicContact CZ2-CD1 3.65Å; W6-P67 HydrophobicContact CB-CB 4.22Å; W6-P67 HydrophobicContact CB-CG 4.46Å; W6-P67 HydrophobicContact CD2-CB 3.92Å; W6-P67 HydrophobicContact CD2-CG 3.61Å; W6-P67 HydrophobicContact CE3-CG 3.9Å; W6-P67 HydrophobicContact CG-CB 3.68Å; W6-P67 HydrophobicContact CG-CG 3.88Å; W6-P67 HydrophobicContact CZ2-CG 4.32Å; W6-P67 HydrophobicContact CZ3-CG 4.38Å; W6-V69 PolarHBondContact N-O 3.42Å; W6-V70 HydrophobicContact CB-CG1 4.21Å; W6-V70 HydrophobicContact CB-CG2 4.27Å; W6-V70 CarbonylContact O-C 3.58Å; W6-V70 WeakPolarHBondContact O-CA 3.45Å; W6-L71 PolarHBondContact O-N 3.35Å
7F98.4Very high91.5Very high4 Ų456.9 Ų56.92%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-100.9107.8160.8178.6-103.9000108T9 Q19 I22 L23 L26 F37 R38 A39 V40 L71 R73F7-T9 HydrophobicContact CD1-CG2 4.39Å; F7-T9 HydrophobicContact CE1-CG2 3.83Å; F7-Q19 HydrophobicContact CZ-CB 4.15Å; F7-I22 HydrophobicContact CD2-CG2 4Å; F7-I22 HydrophobicContact CE2-CB 4.12Å; F7-I22 HydrophobicContact CE2-CG2 3.61Å; F7-L23 HydrophobicContact CB-CD1 4.44Å; F7-L23 HydrophobicContact CD1-CB 4.25Å; F7-L23 HydrophobicContact CD1-CD1 3.92Å; F7-L23 HydrophobicContact CD1-CG 4.47Å; F7-L23 HydrophobicContact CE1-CB 4.06Å; F7-L23 HydrophobicContact CG-CD1 4.31Å; F7-L23 HydrophobicContact CZ-CB 4.4Å; F7-L26 HydrophobicContact CB-CD1 4.01Å; F7-L26 HydrophobicContact CD2-CD1 3.78Å; F7-L26 HydrophobicContact CG-CD1 4.26Å; F7-F37 HydrophobicContact CB-CE2 3.87Å; F7-F37 HydrophobicContact CB-CZ 3.77Å; F7-R38 PolarHBondContact N-O 3.01Å; F7-A39 HydrophobicContact CD1-CB 4.49Å; F7-A39 CarbonylContact O-C 3.56Å; F7-A39 WeakPolarHBondContact O-CA 3.45Å; F7-V40 PolarHBondContact O-N 3.34Å; F7-L71 HydrophobicContact CD2-CB 4.35Å; F7-L71 HydrophobicContact CD2-CD2 3.94Å; F7-L71 HydrophobicContact CE2-CD2 3.89Å; F7-R73 HydrophobicContact CE2-CB 4.37Å; F7-R73 HydrophobicContact CE2-CG 3.68Å; F7-R73 HydrophobicContact CZ-CB 4.29Å; F7-R73 HydrophobicContact CZ-CG 4.01Å
8L97.6Very high91.6Very high0 Ų054.7 Ų54.70%025%0.25CS..EExtended strand (participates in β ladder)trans-102.5120.4-178.1178.359000109.9V40 M42 I45 V70 L71 R73 L88 L91L8-V40 WeakPolarHBondContact CA-O 3.41Å; L8-V40 HydrophobicContact CD1-CB 4.23Å; L8-V40 HydrophobicContact CD1-CG1 4.03Å; L8-M42 HydrophobicContact CD1-CE 4.2Å; L8-M42 HydrophobicContact CD1-SD 4.09Å; L8-M42 HydrophobicContact CD2-CE 3.8Å; L8-M42 HydrophobicContact CD2-SD 3.95Å; L8-M42 HydrophobicContact CG-CE 3.84Å; L8-M42 HydrophobicContact CG-SD 4.24Å; L8-I45 HydrophobicContact CD1-CD1 3.64Å; L8-I45 HydrophobicContact CD2-CD1 4.29Å; L8-V70 HydrophobicContact CB-CG1 3.66Å; L8-V70 HydrophobicContact CD2-CG1 4.12Å; L8-L71 PolarHBondContact N-O 3.45Å; L8-R73 PolarHBondContact O-N 2.94Å; L8-L88 HydrophobicContact CD2-CD2 3.63Å; L8-L91 HydrophobicContact CD2-CD1 3.68Å
9T95.6Very high91.8Very high6 Ų652.2 Ų52.24%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-137.2168.7179.5-165.30000113.3F7 R14 V40 L41 M42 R73F7-T9 HydrophobicContact CD1-CG2 4.39Å; F7-T9 HydrophobicContact CE1-CG2 3.83Å; T9-R14 HydrophobicContact CG2-CB 3.96Å; T9-V40 PolarHBondContact N-O 3.04Å; T9-L41 HydrophobicContact CG2-CD2 3.73Å; T9-L41 CarbonylContact O-C 3.57Å; T9-L41 VanDerWaalsContact O-CA 3.3Å; T9-L41 WeakPolarHBondContact O-CA 3.46Å; T9-M42 PolarHBondContact O-N 3.36Å; T9-R73 WeakPolarHBondContact CA-O 3.39Å; T9-R73 PolarHBondContact OG1-O 3.45Å
10D92.1Very high92Very high14 Ų1452.7 Ų52.78%0.07525%0.246CC..  trans-93.4141.2174.3-170.4-66.8000111.1R12 I13 R14 R73 P75D10-R12 VanDerWaalsContact CG-NE 3.29Å; D10-R12 PolarHBondContact O-N 3.14Å; D10-R12 VanDerWaalsContact O-N 3.16Å; D10-R12 WeakPolarHBondContact OD1-CB 3.23Å; D10-R12 WeakPolarHBondContact OD1-CG 3.28Å; D10-R12 IonicContact OD1-CZ 3.32Å; D10-R12 PolarHBondContact OD1-N 2.82Å; D10-R12 IonicContact OD1-NE 3.58Å; D10-R12 PolarHBondContact OD1-NE 3.36Å; D10-R12 IonicContact OD1-NH2 3.51Å; D10-R12 IonicContact OD2-CZ 3.46Å; D10-R12 VanDerWaalsContact OD2-CZ 3.31Å; D10-R12 IonicContact OD2-NE 2.64Å; D10-R12 PolarHBondContact OD2-NE 2.91Å; D10-R12 VanDerWaalsContact OD2-NE 3.14Å; D10-R12 IonicContact OD2-NH2 2.72Å; D10-R12 PolarHBondContact OD2-NH2 2.88Å; D10-I13 HydrophobicContact CB-CG1 4.21Å; D10-I13 PolarHBondContact O-N 3.1Å; D10-I13 VanDerWaalsContact O-N 3.17Å; D10-R14 PolarHBondContact O-N 3.4Å; D10-R14 VanDerWaalsContact O-N 3.11Å; D10-R73 PolarHBondContact N-O 3.08Å; D10-P75 HydrophobicContact CB-CG 4.36Å
11R91.9Very high92.3Very high135 Ų13552.2 Ų52.251%0.50924%0.243SC..THydrogen-bonded Turntrans-54-35.9178.7-174.4179.4-61.9-124.4-1.2112.5I13 L41 D43R11-I13 VanDerWaalsContact C-N 3.27Å; R11-I13 PolarHBondContact O-N 3.32Å; R11-L41 HydrophobicContact CB-CD1 4.44Å; R11-D43 IonicContact CZ-OD2 3.28Å; R11-D43 IonicContact NE-OD2 2.63Å; R11-D43 PolarHBondContact NE-OD2 3.29Å; R11-D43 IonicContact NH2-OD1 3.44Å; R11-D43 PolarHBondContact NH2-OD1 3.28Å; R11-D43 IonicContact NH2-OD2 3.5Å; R11-D43 PolarHBondContact NH2-OD2 3.11Å
12R89.6Confident93.9Very high119 Ų11942.4 Ų42.445%0.44920%0.195SC..THydrogen-bonded Turntrans-64.3-26.7-176.7-63.6171.7-72171.8-1.4113.7D10 P75 S78 D84D10-R12 VanDerWaalsContact CG-NE 3.29Å; D10-R12 PolarHBondContact O-N 3.14Å; D10-R12 VanDerWaalsContact O-N 3.16Å; D10-R12 WeakPolarHBondContact OD1-CB 3.23Å; D10-R12 WeakPolarHBondContact OD1-CG 3.28Å; D10-R12 IonicContact OD1-CZ 3.32Å; D10-R12 PolarHBondContact OD1-N 2.82Å; D10-R12 IonicContact OD1-NE 3.58Å; D10-R12 PolarHBondContact OD1-NE 3.36Å; D10-R12 IonicContact OD1-NH2 3.51Å; D10-R12 IonicContact OD2-CZ 3.46Å; D10-R12 VanDerWaalsContact OD2-CZ 3.31Å; D10-R12 IonicContact OD2-NE 2.64Å; D10-R12 PolarHBondContact OD2-NE 2.91Å; D10-R12 VanDerWaalsContact OD2-NE 3.14Å; D10-R12 IonicContact OD2-NH2 2.72Å; D10-R12 PolarHBondContact OD2-NH2 2.88Å; R12-P75 VanDerWaalsContact NH2-CG 3.3Å; R12-S78 PolarHBondContact NH1-O 3.23Å; R12-S78 PolarHBondContact NH2-O 3Å; R12-D84 IonicContact NH2-OD2 3.45Å
13I89.4Confident94.6Very high21 Ų2142 Ų4211%0.10819%0.19CC..THydrogen-bonded Turntrans-122.51.7-174.366.9176.8000113.2D10 R11 E15 D16 Q19 P75D10-I13 HydrophobicContact CB-CG1 4.21Å; D10-I13 PolarHBondContact O-N 3.1Å; D10-I13 VanDerWaalsContact O-N 3.17Å; R11-I13 VanDerWaalsContact C-N 3.27Å; R11-I13 PolarHBondContact O-N 3.32Å; I13-E15 PolarHBondContact O-N 3.37Å; I13-D16 WeakPolarHBondContact CB-OD2 3.45Å; I13-D16 VanDerWaalsContact O-CB 3.28Å; I13-D16 WeakPolarHBondContact O-CB 3.28Å; I13-D16 PolarHBondContact O-N 2.9Å; I13-Q19 HydrophobicContact CG1-CG 4.3Å; I13-Q19 WeakPolarHBondContact O-CG 3.43Å; I13-P75 HydrophobicContact CD1-CB 4.23Å; I13-P75 HydrophobicContact CG2-CB 3.96Å
14R91.5Very high94.8Very high103 Ų10348.9 Ų48.939%0.38921%0.213SC..THydrogen-bonded Turntrans-59.5-25.2-171.777.1-174.6-175.1177.30.5113.9T9 D10 L41T9-R14 HydrophobicContact CG2-CB 3.96Å; D10-R14 PolarHBondContact O-N 3.4Å; D10-R14 VanDerWaalsContact O-N 3.11Å; R14-L41 HydrophobicContact CB-CD2 4.26Å
15E93.1Very high94.9Very high139 Ų13948.4 Ų48.465%0.6521%0.212SC*.THydrogen-bonded Turntrans-97.2-4.3-178-53.8-174.7-171.300111.9I13I13-E15 PolarHBondContact O-N 3.37Å
16D91.9Very high94.9Very high69 Ų6948.4 Ų48.437%0.36921%0.212SC..SBendtrans-69.5146.2177.7-67.1-8.1000111I13 Q19 V20I13-D16 WeakPolarHBondContact CB-OD2 3.45Å; I13-D16 VanDerWaalsContact O-CB 3.28Å; I13-D16 WeakPolarHBondContact O-CB 3.28Å; I13-D16 PolarHBondContact O-N 2.9Å; D16-Q19 HydrophobicContact CB-CG 4.4Å; D16-Q19 WeakPolarHBondContact O-CB 3.47Å; D16-Q19 PolarHBondContact O-N 3.19Å; D16-V20 PolarHBondContact O-N 2.84Å
17Y91.3Very high94.8Very high75 Ų7555.1 Ų55.129%0.29424%0.238SC..Hα-helixtrans-47.2-51.5-173.7179-86.1000114.9Q19 V20 Q21 F280 L281 D284Y17-Q19 PolarHBondContact O-N 2.93Å; Y17-V20 PolarHBondContact O-N 2.96Å; Y17-Q21 HydrophobicContact CD1-CG 4.14Å; Y17-Q21 HydrophobicContact CD2-CG 4.26Å; Y17-Q21 HydrophobicContact CE1-CG 3.73Å; Y17-Q21 HydrophobicContact CE2-CG 3.87Å; Y17-Q21 HydrophobicContact CG-CG 4.4Å; Y17-Q21 PolarHBondContact O-N 3.48Å; Y17-Q21 VanDerWaalsContact O-N 3.1Å; Y17-F280 HydrophobicContact CD1-CE2 4.4Å; Y17-F280 HydrophobicContact CE1-CD2 4.21Å; Y17-F280 HydrophobicContact CE1-CE2 4.1Å; Y17-L281 HydrophobicContact CD1-CB 3.65Å; Y17-L281 HydrophobicContact CD1-CD1 3.77Å; Y17-L281 HydrophobicContact CD1-CG 4.24Å; Y17-L281 HydrophobicContact CD2-CD1 3.63Å; Y17-L281 HydrophobicContact CE1-CB 4.05Å; Y17-L281 HydrophobicContact CE1-CD1 3.71Å; Y17-L281 HydrophobicContact CE1-CG 4.49Å; Y17-L281 HydrophobicContact CE2-CD1 3.56Å; Y17-L281 HydrophobicContact CG-CB 4.08Å; Y17-L281 HydrophobicContact CG-CD1 3.72Å; Y17-L281 HydrophobicContact CG-CD2 4.46Å; Y17-L281 HydrophobicContact CG-CG 4.29Å; Y17-D284 PolarHBondContact OH-OD2 3.19Å; Y17-D284 VanDerWaalsContact OH-OD2 3.09Å
18P92.7Very high94.7Very high16 Ų1659.3 Ų59.310%0.10426%0.257CS..Hα-helixtrans-57.5-37.2-178.8-26.637.3000112.8I22 F280P18-I22 WeakPolarHBondContact O-CD1 3.3Å; P18-I22 VanDerWaalsContact O-CG1 3.22Å; P18-I22 WeakPolarHBondContact O-CG1 3.28Å; P18-I22 PolarHBondContact O-N 3.24Å; P18-I22 VanDerWaalsContact O-N 3.15Å; P18-F280 VanDerWaalsContact CA-CZ 3.48Å; P18-F280 HydrophobicContact CB-CD1 4.16Å; P18-F280 HydrophobicContact CB-CE1 3.61Å; P18-F280 HydrophobicContact CB-CE2 4.3Å; P18-F280 HydrophobicContact CB-CZ 3.68Å
19Q95Very high94.6Very high7 Ų762.2 Ų62.23%0.03327%0.268CS..Hα-helixtrans-72.6-43.1-176.1-44.4-47.1-7.600111.5F7 I13 D16 Y17 Q21 L23 R73F7-Q19 HydrophobicContact CZ-CB 4.15Å; I13-Q19 HydrophobicContact CG1-CG 4.3Å; I13-Q19 WeakPolarHBondContact O-CG 3.43Å; D16-Q19 HydrophobicContact CB-CG 4.4Å; D16-Q19 WeakPolarHBondContact O-CB 3.47Å; D16-Q19 PolarHBondContact O-N 3.19Å; Y17-Q19 PolarHBondContact O-N 2.93Å; Q19-Q21 PolarHBondContact O-N 3.23Å; Q19-L23 WeakPolarHBondContact O-CB 3.23Å; Q19-L23 PolarHBondContact O-N 3.47Å; Q19-R73 VanDerWaalsContact NE2-NE 3.17Å
20V96.8Very high94.5Very high63 Ų6362.1 Ų62.138%0.38227%0.268SS..Hα-helixtrans-64.1-41.6179.6177.80000111D16 Y17 R24D16-V20 PolarHBondContact O-N 2.84Å; Y17-V20 PolarHBondContact O-N 2.96Å; V20-R24 VanDerWaalsContact O-CB 3.32Å; V20-R24 WeakPolarHBondContact O-CB 3.35Å; V20-R24 PolarHBondContact O-N 3.36Å
21Q97.3Very high94.5Very high42 Ų4266 Ų6620%0.19630%0.296CS..Hα-helixtrans-69.1-44.4179-62.7-48-37.700112.6Y17 Q19 L23 R24 A25 F280Y17-Q21 HydrophobicContact CD1-CG 4.14Å; Y17-Q21 HydrophobicContact CD2-CG 4.26Å; Y17-Q21 HydrophobicContact CE1-CG 3.73Å; Y17-Q21 HydrophobicContact CE2-CG 3.87Å; Y17-Q21 HydrophobicContact CG-CG 4.4Å; Y17-Q21 PolarHBondContact O-N 3.48Å; Y17-Q21 VanDerWaalsContact O-N 3.1Å; Q19-Q21 PolarHBondContact O-N 3.23Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 2.85Å; Q21-R24 PolarHBondContact O-N 3.41Å; Q21-A25 WeakPolarHBondContact O-CB 3.48Å; Q21-A25 PolarHBondContact O-N 3.03Å; Q21-F280 HydrophobicContact CB-CE2 4.43Å
22I97.8Very high94.5Very high0 Ų065 Ų650%030%0.297CS..Hα-helixtrans-60.9-46.5175.4-67164.2000110.4F7 P18 R24 A25 L26 L71 R73 F280 I295F7-I22 HydrophobicContact CD2-CG2 4Å; F7-I22 HydrophobicContact CE2-CB 4.12Å; F7-I22 HydrophobicContact CE2-CG2 3.61Å; P18-I22 WeakPolarHBondContact O-CD1 3.3Å; P18-I22 VanDerWaalsContact O-CG1 3.22Å; P18-I22 WeakPolarHBondContact O-CG1 3.28Å; P18-I22 PolarHBondContact O-N 3.24Å; P18-I22 VanDerWaalsContact O-N 3.15Å; I22-R24 VanDerWaalsContact C-N 3.34Å; I22-R24 PolarHBondContact O-N 3.16Å; I22-A25 PolarHBondContact O-N 3.11Å; I22-L26 HydrophobicContact CG2-CD1 3.91Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 WeakPolarHBondContact O-CB 3.44Å; I22-L26 WeakPolarHBondContact O-CG 3.42Å; I22-L26 PolarHBondContact O-N 3.39Å; I22-L71 HydrophobicContact CG2-CD1 3.54Å; I22-L71 HydrophobicContact CG2-CD2 4.29Å; I22-R73 HydrophobicContact CD1-CG 4.44Å; I22-F280 HydrophobicContact CD1-CE1 3.93Å; I22-F280 HydrophobicContact CD1-CZ 4.05Å; I22-F280 HydrophobicContact CG1-CE1 4.29Å; I22-F280 HydrophobicContact CG1-CZ 3.94Å; I22-I295 HydrophobicContact CD1-CD1 4.11Å; I22-I295 HydrophobicContact CD1-CG2 4.35Å; I22-I295 HydrophobicContact CG1-CD1 4.35Å; I22-I295 HydrophobicContact CG1-CG2 4.32Å; I22-I295 HydrophobicContact CG2-CG2 4.37Å
23L97.9Very high94.4Very high31 Ų3164.6 Ų64.616%0.16230%0.3CS..Hα-helixtrans-61.6-42.1-179.9175.858.1000111.8F7 Q19 Q21 R27 F37 A39F7-L23 HydrophobicContact CB-CD1 4.44Å; F7-L23 HydrophobicContact CD1-CB 4.25Å; F7-L23 HydrophobicContact CD1-CD1 3.92Å; F7-L23 HydrophobicContact CD1-CG 4.47Å; F7-L23 HydrophobicContact CE1-CB 4.06Å; F7-L23 HydrophobicContact CG-CD1 4.31Å; F7-L23 HydrophobicContact CZ-CB 4.4Å; Q19-L23 WeakPolarHBondContact O-CB 3.23Å; Q19-L23 PolarHBondContact O-N 3.47Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 2.85Å; L23-R27 HydrophobicContact CD1-CG 4.21Å; L23-R27 WeakPolarHBondContact O-CB 3.26Å; L23-R27 WeakPolarHBondContact O-CG 3.29Å; L23-R27 PolarHBondContact O-N 3.06Å; L23-F37 HydrophobicContact CD1-CE1 3.81Å; L23-F37 HydrophobicContact CD1-CZ 3.59Å; L23-A39 HydrophobicContact CD1-CB 3.78Å
24R97.8Very high94.3Very high164 Ų16469.4 Ų69.462%0.61933%0.326SS*.Hα-helixtrans-58.6-52174.5176.2-170165.7-170-2.8110.7V20 Q21 I22 R27 Q28V20-R24 VanDerWaalsContact O-CB 3.32Å; V20-R24 WeakPolarHBondContact O-CB 3.35Å; V20-R24 PolarHBondContact O-N 3.36Å; Q21-R24 PolarHBondContact O-N 3.41Å; I22-R24 VanDerWaalsContact C-N 3.34Å; I22-R24 PolarHBondContact O-N 3.16Å; R24-R27 PolarHBondContact O-N 3.25Å; R24-Q28 PolarHBondContact O-N 3.34Å; R24-Q28 VanDerWaalsContact O-N 3.14Å
25A97.9Very high94.4Very high8 Ų865.4 Ų65.47%0.06631%0.313CS..Hα-helixtrans-62.1-45.8-178.200000112Q21 I22 R27 Q28 R29 A296Q21-A25 WeakPolarHBondContact O-CB 3.48Å; Q21-A25 PolarHBondContact O-N 3.03Å; I22-A25 PolarHBondContact O-N 3.11Å; A25-R27 PolarHBondContact O-N 3.15Å; A25-Q28 WeakPolarHBondContact O-CB 3.47Å; A25-Q28 PolarHBondContact O-N 3.26Å; A25-R29 WeakPolarHBondContact O-CG 3.36Å; A25-R29 PolarHBondContact O-N 3.2Å; A25-A296 HydrophobicContact CB-CB 3.65Å
26L98.1Very high94.5Very high0 Ų064.2 Ų64.20%030%0.303CS..Hα-helixtrans-60.4-44.2176.7-78.8176.5000112.6L5 F7 I22 Q28 R29 C30 F37 L71 A296 T299L5-L26 HydrophobicContact CD1-CD2 4.12Å; L5-L26 HydrophobicContact CD2-CD1 4.07Å; L5-L26 HydrophobicContact CD2-CD2 3.98Å; F7-L26 HydrophobicContact CB-CD1 4.01Å; F7-L26 HydrophobicContact CD2-CD1 3.78Å; F7-L26 HydrophobicContact CG-CD1 4.26Å; I22-L26 HydrophobicContact CG2-CD1 3.91Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 WeakPolarHBondContact O-CB 3.44Å; I22-L26 WeakPolarHBondContact O-CG 3.42Å; I22-L26 PolarHBondContact O-N 3.39Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.3Å; L26-R29 PolarHBondContact O-N 2.86Å; L26-C30 VanDerWaalsContact O-CB 3.26Å; L26-C30 WeakPolarHBondContact O-CB 3.34Å; L26-C30 PolarHBondContact O-N 2.75Å; L26-C30 PolarHBondContact O-SG 2.82Å; L26-F37 HydrophobicContact CB-CE2 3.91Å; L26-F37 HydrophobicContact CB-CZ 4.15Å; L26-F37 HydrophobicContact CD1-CE2 4.14Å; L26-L71 HydrophobicContact CD1-CB 4.39Å; L26-L71 HydrophobicContact CD1-CD1 3.78Å; L26-A296 HydrophobicContact CD2-CB 3.82Å; L26-A296 HydrophobicContact CG-CB 3.99Å; L26-T299 HydrophobicContact CD2-CG2 4.38Å
27R97.4Very high94.8Very high142 Ų14263.1 Ų63.154%0.53630%0.295SS..Hα-helixtrans-58.2-44177.2-81.2177.9173.6169.60.8111.5L23 R24 A25 S31 F37L23-R27 HydrophobicContact CD1-CG 4.21Å; L23-R27 WeakPolarHBondContact O-CB 3.26Å; L23-R27 WeakPolarHBondContact O-CG 3.29Å; L23-R27 PolarHBondContact O-N 3.06Å; R24-R27 PolarHBondContact O-N 3.25Å; A25-R27 PolarHBondContact O-N 3.15Å; R27-S31 WeakPolarHBondContact O-CB 3.26Å; R27-S31 PolarHBondContact O-N 2.9Å; R27-S31 VanDerWaalsContact O-N 3.13Å; R27-S31 PolarHBondContact O-OG 2.99Å; R27-F37 HydrophobicContact CG-CD1 3.89Å; R27-F37 HydrophobicContact CG-CE1 3.44Å; R27-F37 VanDerWaalsContact CG-CE1 3.44Å; R27-F37 HydrophobicContact CG-CZ 4.26Å
28Q96Very high95.1Very high91 Ų9162.5 Ų62.543%0.42529%0.292SS..Hα-helixtrans-60.7-57.3176.9-177.7179.5-11.100110.8R24 A25 L26 C30 S31 E32R24-Q28 PolarHBondContact O-N 3.34Å; R24-Q28 VanDerWaalsContact O-N 3.14Å; A25-Q28 WeakPolarHBondContact O-CB 3.47Å; A25-Q28 PolarHBondContact O-N 3.26Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.3Å; Q28-C30 VanDerWaalsContact C-N 3.34Å; Q28-C30 PolarHBondContact O-N 3.22Å; Q28-S31 PolarHBondContact O-N 2.84Å; Q28-S31 VanDerWaalsContact O-N 3.12Å; Q28-S31 PolarHBondContact O-OG 2.94Å; Q28-E32 VanDerWaalsContact CG-OE1 3.32Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.39Å; Q28-E32 PolarHBondContact NE2-OE1 2.83Å; Q28-E32 WeakPolarHBondContact O-CG 3.34Å; Q28-E32 PolarHBondContact O-N 2.98Å
29R95.1Very high95.3Very high62 Ų6264 Ų6423%0.23431%0.305CS..Hα-helixtrans-64.6-35.7-175.8-58.2-44.1-17785.118.5113.5A25 L26 S31 E32 Q33 D297 M300A25-R29 WeakPolarHBondContact O-CG 3.36Å; A25-R29 PolarHBondContact O-N 3.2Å; L26-R29 PolarHBondContact O-N 2.86Å; R29-S31 VanDerWaalsContact C-N 3.35Å; R29-E32 WeakPolarHBondContact CD-OE2 3.31Å; R29-E32 PolarHBondContact O-N 3.42Å; R29-Q33 PolarHBondContact O-N 2.88Å; R29-D297 IonicContact CZ-OD1 3.57Å; R29-D297 IonicContact CZ-OD2 3.91Å; R29-D297 IonicContact NE-OD1 3.67Å; R29-D297 IonicContact NH1-OD1 3.78Å; R29-D297 PolarHBondContact NH1-OD1 3.41Å; R29-D297 IonicContact NH1-OD2 2.69Å; R29-D297 PolarHBondContact NH1-OD2 3.28Å; R29-D297 VanDerWaalsContact NH1-OD2 3.14Å; R29-D297 VanDerWaalsContact NH2-CG 3.34Å; R29-D297 IonicContact NH2-OD1 3.92Å; R29-D297 PolarHBondContact NH2-OD1 2.92Å; R29-D297 VanDerWaalsContact NH2-OD1 3.1Å; R29-D297 IonicContact NH2-OD2 2.88Å; R29-D297 PolarHBondContact NH2-OD2 3.09Å; R29-M300 HydrophobicContact CB-CE 4.29Å; R29-M300 HydrophobicContact CB-CG 4.04Å; R29-M300 HydrophobicContact CB-SD 4.37Å
30C94.9Very high95.4Very high4 Ų463.7 Ų63.73%0.02730%0.304CS..Hα-helixtrans-67.4-36.1176-68.40000112.3L26 Q28 E32 Q33 V35 F37L26-C30 VanDerWaalsContact O-CB 3.26Å; L26-C30 WeakPolarHBondContact O-CB 3.34Å; L26-C30 PolarHBondContact O-N 2.75Å; L26-C30 PolarHBondContact O-SG 2.82Å; Q28-C30 VanDerWaalsContact C-N 3.34Å; Q28-C30 PolarHBondContact O-N 3.22Å; C30-E32 VanDerWaalsContact C-N 3.28Å; C30-E32 PolarHBondContact O-N 2.98Å; C30-Q33 PolarHBondContact O-N 3.09Å; C30-V35 HydrophobicContact CB-CB 4.08Å; C30-V35 HydrophobicContact CB-CG1 4.4Å; C30-V35 PolarHBondContact O-N 3.32Å; C30-F37 HydrophobicContact CB-CB 3.71Å; C30-F37 HydrophobicContact CB-CD2 4.46Å; C30-F37 HydrophobicContact CB-CG 4.19Å
31S92.1Very high95.4Very high94 Ų9461.7 Ų61.766%0.65729%0.291SS*.Hα-helixtrans-67.7-29.4176.8730000112.9R27 Q28 R29R27-S31 WeakPolarHBondContact O-CB 3.26Å; R27-S31 PolarHBondContact O-N 2.9Å; R27-S31 VanDerWaalsContact O-N 3.13Å; R27-S31 PolarHBondContact O-OG 2.99Å; Q28-S31 PolarHBondContact O-N 2.84Å; Q28-S31 VanDerWaalsContact O-N 3.12Å; Q28-S31 PolarHBondContact O-OG 2.94Å; R29-S31 VanDerWaalsContact C-N 3.35Å
32E91.1Very high95.1Very high114 Ų11460.2 Ų60.253%0.53328%0.284SS..Hα-helixtrans-78.5-23.1178.2-67.4165.4-177.400112.8Q28 R29 C30Q28-E32 VanDerWaalsContact CG-OE1 3.32Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.39Å; Q28-E32 PolarHBondContact NE2-OE1 2.83Å; Q28-E32 WeakPolarHBondContact O-CG 3.34Å; Q28-E32 PolarHBondContact O-N 2.98Å; R29-E32 WeakPolarHBondContact CD-OE2 3.31Å; R29-E32 PolarHBondContact O-N 3.42Å; C30-E32 VanDerWaalsContact C-N 3.28Å; C30-E32 PolarHBondContact O-N 2.98Å
33Q86.6Confident94.9Very high112 Ų11264.5 Ų64.552%0.52331%0.307SS..THydrogen-bonded Turntrans-117.718.2-168.8-62.7-17318.400115.6R29 C30 V35 M300R29-Q33 PolarHBondContact O-N 2.88Å; C30-Q33 PolarHBondContact O-N 3.09Å; Q33-V35 HydrophobicContact CB-CG2 4.09Å; Q33-V35 PolarHBondContact O-N 3.05Å; Q33-M300 HydrophobicContact CB-CE 4.02Å; Q33-M300 HydrophobicContact CG-CE 4.27Å; Q33-M300 VanDerWaalsContact OE1-CE 3.31Å
34D87.3Confident94.8Very high122 Ų12265.5 Ų65.565%0.65231%0.311SS*.THydrogen-bonded Turntrans4845.3-176.7-169.840.8000112.7C2C2-D34 PolarHBondContact SG-O 3.1Å
35V94.3Very high94.7Very high18 Ų1858.6 Ų58.611%0.10929%0.286CS..  trans-100.6128.8176.9175.10000109.2S3 L5 C30 Q33 F37 M300 L303S3-V35 WeakPolarHBondContact O-CG1 3.34Å; L5-V35 HydrophobicContact CB-CG1 3.79Å; C30-V35 HydrophobicContact CB-CB 4.08Å; C30-V35 HydrophobicContact CB-CG1 4.4Å; C30-V35 PolarHBondContact O-N 3.32Å; Q33-V35 HydrophobicContact CB-CG2 4.09Å; Q33-V35 PolarHBondContact O-N 3.05Å; V35-F37 PolarHBondContact O-N 3.33Å; V35-M300 HydrophobicContact CB-CE 4.42Å; V35-M300 HydrophobicContact CG2-CE 3.77Å; V35-L303 HydrophobicContact CB-CD1 4.46Å; V35-L303 HydrophobicContact CG1-CD1 3.84Å; V35-L303 HydrophobicContact CG2-CD1 3.74Å
36R95.6Very high94.6Very high115 Ų11560.2 Ų60.243%0.43430%0.299SS..EExtended strand (participates in β ladder)trans-75.497.2177-177.3-177.1-166.7-167.513109.6C2 S3 Q4 L5 R38C2-R36 PolarHBondContact SG-N 2.88Å; S3-R36 PolarHBondContact O-N 3.37Å; Q4-R36 WeakPolarHBondContact CA-O 3.48Å; Q4-R36 HydrophobicContact CG-CB 4.06Å; Q4-R36 HydrophobicContact CG-CG 4.42Å; L5-R36 PolarHBondContact N-O 2.82Å; L5-R36 VanDerWaalsContact N-O 3.1Å; R36-R38 VanDerWaalsContact NH2-NH2 3.17Å
37F97.3Very high94.5Very high46 Ų4662.3 Ų62.320%0.20231%0.312CS..EExtended strand (participates in β ladder)trans-90.7141.5-177.6-178.8-109.3000113.3L5 F7 L23 L26 R27 C30 V35 A39L5-F37 HydrophobicContact CB-CD2 4.5Å; L5-F37 HydrophobicContact CD2-CD2 3.61Å; L5-F37 HydrophobicContact CD2-CE2 3.6Å; L5-F37 WeakPolarHBondContact O-CA 3.33Å; L5-F37 WeakPolarHBondContact O-CD2 3.37Å; F7-F37 HydrophobicContact CB-CE2 3.87Å; F7-F37 HydrophobicContact CB-CZ 3.77Å; L23-F37 HydrophobicContact CD1-CE1 3.81Å; L23-F37 HydrophobicContact CD1-CZ 3.59Å; L26-F37 HydrophobicContact CB-CE2 3.91Å; L26-F37 HydrophobicContact CB-CZ 4.15Å; L26-F37 HydrophobicContact CD1-CE2 4.14Å; R27-F37 HydrophobicContact CG-CD1 3.89Å; R27-F37 HydrophobicContact CG-CE1 3.44Å; R27-F37 VanDerWaalsContact CG-CE1 3.44Å; R27-F37 HydrophobicContact CG-CZ 4.26Å; C30-F37 HydrophobicContact CB-CB 3.71Å; C30-F37 HydrophobicContact CB-CD2 4.46Å; C30-F37 HydrophobicContact CB-CG 4.19Å; V35-F37 PolarHBondContact O-N 3.33Å; F37-A39 HydrophobicContact CE1-CB 4.34Å; F37-A39 HydrophobicContact CZ-CB 4.42Å
38R97.3Very high94.4Very high62 Ų6257.3 Ų57.323%0.23430%0.297CS..EExtended strand (participates in β ladder)trans-137136.3165.4-63.2-173.5-177.8174.30.1111.2L5 W6 F7 R36 V40L5-R38 PolarHBondContact O-N 3.2Å; W6-R38 CarbonylContact C-O 3.56Å; W6-R38 VanDerWaalsContact CA-O 3.29Å; W6-R38 WeakPolarHBondContact CA-O 3.28Å; W6-R38 HydrophobicContact CG-CB 4.29Å; F7-R38 PolarHBondContact N-O 3.01Å; R36-R38 VanDerWaalsContact NH2-NH2 3.17Å; R38-V40 HydrophobicContact CB-CG2 3.96Å
39A97.6Very high94.5Very high46 Ų4658.9 Ų58.938%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-94.7124.6162.300000108.3F7 L23 F37F7-A39 HydrophobicContact CD1-CB 4.49Å; F7-A39 CarbonylContact O-C 3.56Å; F7-A39 WeakPolarHBondContact O-CA 3.45Å; L23-A39 HydrophobicContact CD1-CB 3.78Å; F37-A39 HydrophobicContact CE1-CB 4.34Å; F37-A39 HydrophobicContact CZ-CB 4.42Å
40V97.4Very high94.4Very high2 Ų261 Ų611%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-127.7139.3-171.5179.60000109.2W6 F7 L8 T9 R38 I45 L58W6-V40 HydrophobicContact CD2-CG2 3.96Å; W6-V40 HydrophobicContact CE3-CB 4.38Å; W6-V40 HydrophobicContact CE3-CG2 3.87Å; W6-V40 HydrophobicContact CG-CG2 4.37Å; W6-V40 HydrophobicContact CZ3-CG2 4.3Å; F7-V40 PolarHBondContact O-N 3.34Å; L8-V40 WeakPolarHBondContact CA-O 3.41Å; L8-V40 HydrophobicContact CD1-CB 4.23Å; L8-V40 HydrophobicContact CD1-CG1 4.03Å; T9-V40 PolarHBondContact N-O 3.04Å; R38-V40 HydrophobicContact CB-CG2 3.96Å; V40-I45 HydrophobicContact CG1-CD1 3.77Å; V40-I45 HydrophobicContact CG1-CG1 3.73Å; V40-L58 HydrophobicContact CG1-CD1 3.54Å; V40-L58 HydrophobicContact CG2-CD1 4.31Å; V40-L58 HydrophobicContact CG2-CD2 4.44Å
41L95.6Very high94.4Very high20 Ų2064.3 Ų64.311%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-94.7145.5170.3-60.2177.3000110.3T9 R11 R14 D43 Q44T9-L41 HydrophobicContact CG2-CD2 3.73Å; T9-L41 CarbonylContact O-C 3.57Å; T9-L41 VanDerWaalsContact O-CA 3.3Å; T9-L41 WeakPolarHBondContact O-CA 3.46Å; R11-L41 HydrophobicContact CB-CD1 4.44Å; R14-L41 HydrophobicContact CB-CD2 4.26Å; L41-D43 WeakPolarHBondContact CB-OD1 3.4Å; L41-D43 PolarHBondContact O-N 3.26Å; L41-Q44 HydrophobicContact CB-CG 4Å; L41-Q44 VanDerWaalsContact N-OE1 3.15Å; L41-Q44 WeakPolarHBondContact O-CB 3.47Å; L41-Q44 PolarHBondContact O-N 3.07Å
42M92.8Very high94.5Very high11 Ų1163 Ų635%0.05436%0.364CS..G310 helixtrans-54-40179.2-158.165.772.100112.3L8 T9 Q44 I45 V74 V87 L88L8-M42 HydrophobicContact CD1-CE 4.2Å; L8-M42 HydrophobicContact CD1-SD 4.09Å; L8-M42 HydrophobicContact CD2-CE 3.8Å; L8-M42 HydrophobicContact CD2-SD 3.95Å; L8-M42 HydrophobicContact CG-CE 3.84Å; L8-M42 HydrophobicContact CG-SD 4.24Å; T9-M42 PolarHBondContact O-N 3.36Å; M42-Q44 PolarHBondContact O-N 2.63Å; M42-I45 PolarHBondContact O-N 2.8Å; M42-V74 HydrophobicContact CE-CG1 3.54Å; M42-V87 HydrophobicContact SD-CB 3.7Å; M42-V87 HydrophobicContact SD-CG1 3.52Å; M42-V87 VanDerWaalsContact SD-CG1 3.52Å; M42-V87 HydrophobicContact SD-CG2 4.21Å; M42-L88 HydrophobicContact CE-CD2 3.94Å; M42-L88 HydrophobicContact CE-CG 4.34Å
43D92.1Very high94.7Very high91 Ų9164.3 Ų64.349%0.48737%0.369SS..G310 helixtrans-72.9-5.7-179.4664.6000115.1R11 L41R11-D43 IonicContact CZ-OD2 3.28Å; R11-D43 IonicContact NE-OD2 2.63Å; R11-D43 PolarHBondContact NE-OD2 3.29Å; R11-D43 IonicContact NH2-OD1 3.44Å; R11-D43 PolarHBondContact NH2-OD1 3.28Å; R11-D43 IonicContact NH2-OD2 3.5Å; R11-D43 PolarHBondContact NH2-OD2 3.11Å; L41-D43 WeakPolarHBondContact CB-OD1 3.4Å; L41-D43 PolarHBondContact O-N 3.26Å
44Q95.6Very high95.2Very high52 Ų5262.3 Ų62.324%0.24336%0.362CS..G310 helixtrans-90.8-12.9174.4-64.4173.9-18.500112.3L41 M42 L58 N59L41-Q44 HydrophobicContact CB-CG 4Å; L41-Q44 VanDerWaalsContact N-OE1 3.15Å; L41-Q44 WeakPolarHBondContact O-CB 3.47Å; L41-Q44 PolarHBondContact O-N 3.07Å; M42-Q44 PolarHBondContact O-N 2.63Å; Q44-L58 HydrophobicContact CB-CD1 3.79Å; Q44-L58 WeakPolarHBondContact O-CA 3.33Å; Q44-N59 WeakPolarHBondContact CB-OD1 3.26Å; Q44-N59 VanDerWaalsContact CG-OD1 3.28Å; Q44-N59 WeakPolarHBondContact CG-OD1 2.96Å; Q44-N59 PolarHBondContact O-N 2.64Å
45I96.3Very high95.6Very high18 Ų1857.2 Ų57.29%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-94.3128-175.7-61175.9000109.3W6 L8 V40 M42 V47 L56 Q57 L58 V87W6-I45 HydrophobicContact CZ3-CD1 4.32Å; L8-I45 HydrophobicContact CD1-CD1 3.64Å; L8-I45 HydrophobicContact CD2-CD1 4.29Å; V40-I45 HydrophobicContact CG1-CD1 3.77Å; V40-I45 HydrophobicContact CG1-CG1 3.73Å; M42-I45 PolarHBondContact O-N 2.8Å; I45-V47 HydrophobicContact CG2-CG1 4.11Å; I45-L56 HydrophobicContact CG2-CD1 3.44Å; I45-L56 VanDerWaalsContact CG2-CD1 3.44Å; I45-L56 HydrophobicContact CG2-CG 4.41Å; I45-Q57 WeakPolarHBondContact CA-O 3.45Å; I45-L58 HydrophobicContact CG1-CD1 4.32Å; I45-V87 HydrophobicContact CB-CG1 4.19Å; I45-V87 HydrophobicContact CD1-CG1 3.87Å; I45-V87 HydrophobicContact CG2-CG1 3.84Å
46A95.9Very high95.7Very high42 Ų4256.5 Ų56.535%0.34733%0.334SS..EExtended strand (participates in β ladder)trans-114129.3160.800000109.1Q57A46-Q57 HydrophobicContact CB-CB 4.21Å; A46-Q57 PolarHBondContact N-O 2.72Å; A46-Q57 PolarHBondContact O-N 3.32Å
47V96.1Very high95.8Very high44 Ų4454 Ų5427%0.26733%0.327SS..EExtended strand (participates in β ladder)trans-96.6141.3175.6-62.80000109.2I45 L56 T86 V87 H90I45-V47 HydrophobicContact CG2-CG1 4.11Å; V47-L56 HydrophobicContact CG1-CD1 4.08Å; V47-T86 HydrophobicContact CG2-CG2 4.07Å; V47-V87 HydrophobicContact CG1-CG2 4.37Å; V47-H90 HydrophobicContact CB-CB 4.15Å; V47-H90 HydrophobicContact CG1-CB 3.65Å; V47-H90 VanDerWaalsContact CG1-CG 3.5Å
48T96.4Very high95.8Very high37 Ų3752.8 Ų52.823%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-137.7150.6-173.359.50000111G55 Q57 H90T48-G55 PolarHBondContact N-O 2.86Å; T48-G55 PolarHBondContact O-N 3.47Å; T48-G55 WeakPolarHBondContact OG1-CA 3.29Å; T48-G55 PolarHBondContact OG1-O 3.37Å; T48-Q57 HydrophobicContact CG2-CG 4.31Å; T48-H90 PolarHBondContact O-CE1 2.96Å
49I96.5Very high95.7Very high125 Ų12554.3 Ų54.364%0.64134%0.335SS*.EExtended strand (participates in β ladder)trans-123.4112.4166.4-57.6178.1000106.1H53 L54I49-H53 WeakPolarHBondContact CA-O 3.5Å; I49-L54 HydrophobicContact CG1-CD2 4.2Å
50V93.4Very high95.5Very high106 Ų10660.9 Ų60.964%0.64236%0.358SS*.EExtended strand (participates in β ladder)trans-126.8122.4-178.5-1770000108.1G52 H53V50-G52 PolarHBondContact O-N 2.93Å; V50-H53 PolarHBondContact N-O 2.9Å; V50-H53 PolarHBondContact O-N 3.38Å
51G94.8Very high95.4Very high74 Ų7468.3 Ų68.376%0.76339%0.39SS*.THydrogen-bonded Turntrans59.527-176.300000113.9H53G51-H53 VanDerWaalsContact C-N 3.31Å; G51-H53 PolarHBondContact O-CD2 3.47Å; G51-H53 VanDerWaalsContact O-CD2 3.3Å
52G95Very high95.4Very high67 Ų6771 Ų7169%0.69142%0.416SS*.THydrogen-bonded Turntrans822.8-176.400000115V50V50-G52 PolarHBondContact O-N 2.93Å
53H95.3Very high95.5Very high140 Ų14072 Ų7265%0.64842%0.421SS*.EExtended strand (participates in β ladder)trans-105.2140.2179.1-58.8-71.4000111.7I49 V50 G51I49-H53 WeakPolarHBondContact CA-O 3.5Å; V50-H53 PolarHBondContact N-O 2.9Å; V50-H53 PolarHBondContact O-N 3.38Å; G51-H53 VanDerWaalsContact C-N 3.31Å; G51-H53 PolarHBondContact O-CD2 3.47Å; G51-H53 VanDerWaalsContact O-CD2 3.3Å
54L96.8Very high95.4Very high70 Ų7074.1 Ų74.137%0.36644%0.438SS..EExtended strand (participates in β ladder)trans-69.8134.1173.8-58.7176000109.8I49 K93 L94I49-L54 HydrophobicContact CG1-CD2 4.2Å; L54-K93 HydrophobicContact CD1-CB 3.63Å; L54-L94 HydrophobicContact CB-CD2 3.44Å; L54-L94 VanDerWaalsContact CB-CD2 3.44Å; L54-L94 HydrophobicContact CB-CG 4.18Å; L54-L94 HydrophobicContact CD1-CD2 4.22Å; L54-L94 HydrophobicContact CD1-CG 4.4Å; L54-L94 HydrophobicContact CG-CD2 4.49Å
55G96.1Very high95.3Very high16 Ų1674.2 Ų74.217%0.16544%0.442CS..EExtended strand (participates in β ladder)trans-137.9148.8176.800000111.7T48 H90T48-G55 PolarHBondContact N-O 2.86Å; T48-G55 PolarHBondContact O-N 3.47Å; T48-G55 WeakPolarHBondContact OG1-CA 3.29Å; T48-G55 PolarHBondContact OG1-O 3.37Å; G55-H90 PolarHBondContact O-NE2 3.16Å
56L96.8Very high95.3Very high3 Ų376.1 Ų76.12%0.01645%0.449CS..EExtended strand (participates in β ladder)trans-121.6131.8-178.4-165.567.9000110W6 I45 V47 L63 F66 L91 L94W6-L56 HydrophobicContact CH2-CD2 3.58Å; W6-L56 HydrophobicContact CZ3-CD2 3.88Å; I45-L56 HydrophobicContact CG2-CD1 3.44Å; I45-L56 VanDerWaalsContact CG2-CD1 3.44Å; I45-L56 HydrophobicContact CG2-CG 4.41Å; V47-L56 HydrophobicContact CG1-CD1 4.08Å; L56-L63 HydrophobicContact CD2-CD1 4.02Å; L56-L63 HydrophobicContact CG-CD1 4.36Å; L56-L63 PolarHBondContact O-N 3.21Å; L56-F66 HydrophobicContact CB-CD1 3.98Å; L56-F66 HydrophobicContact CB-CE1 3.63Å; L56-F66 HydrophobicContact CD2-CD1 4.03Å; L56-L91 HydrophobicContact CD1-CD2 4.03Å; L56-L91 HydrophobicContact CD2-CD2 3.67Å; L56-L94 HydrophobicContact CB-CD1 4.05Å; L56-L94 HydrophobicContact CD1-CD1 4.45Å; L56-L94 HydrophobicContact CD2-CD1 4.41Å
57Q96.6Very high95.3Very high62 Ų6274.3 Ų74.329%0.2943%0.434SS..EExtended strand (participates in β ladder)trans-114.9141.6169.9-52.6-175.9-0.600110.1I45 A46 T48 K61I45-Q57 WeakPolarHBondContact CA-O 3.45Å; A46-Q57 HydrophobicContact CB-CB 4.21Å; A46-Q57 PolarHBondContact N-O 2.72Å; A46-Q57 PolarHBondContact O-N 3.32Å; T48-Q57 HydrophobicContact CG2-CG 4.31Å; Q57-K61 CarbonylContact C-O 3.56Å; Q57-K61 VanDerWaalsContact CA-O 3.26Å; Q57-K61 WeakPolarHBondContact CA-O 3.03Å
58L96.6Very high95.4Very high21 Ų2175 Ų7511%0.1144%0.436CS..EExtended strand (participates in β ladder)trans-122.9119.1173.2-177.868.3000108.7V40 Q44 I45 Q60 K61 L63V40-L58 HydrophobicContact CG1-CD1 3.54Å; V40-L58 HydrophobicContact CG2-CD1 4.31Å; V40-L58 HydrophobicContact CG2-CD2 4.44Å; Q44-L58 HydrophobicContact CB-CD1 3.79Å; Q44-L58 WeakPolarHBondContact O-CA 3.33Å; I45-L58 HydrophobicContact CG1-CD1 4.32Å; L58-Q60 VanDerWaalsContact C-N 3.32Å; L58-Q60 PolarHBondContact O-N 2.62Å; L58-K61 PolarHBondContact N-O 3.04Å; L58-K61 PolarHBondContact O-N 2.92Å; L58-K61 VanDerWaalsContact O-N 3.1Å; L58-L63 HydrophobicContact CB-CD1 3.94Å; L58-L63 HydrophobicContact CB-CD2 4.38Å; L58-L63 HydrophobicContact CB-CG 4.24Å
59N95.1Very high95.5Very high93 Ų9373.3 Ų73.350%0.49743%0.426SS..THydrogen-bonded Turntrans50.151.5-174.3-60.6-48.5000112Q44 K61Q44-N59 WeakPolarHBondContact CB-OD1 3.26Å; Q44-N59 VanDerWaalsContact CG-OD1 3.28Å; Q44-N59 WeakPolarHBondContact CG-OD1 2.96Å; Q44-N59 PolarHBondContact O-N 2.64Å; N59-K61 PolarHBondContact O-N 3.1Å; N59-K61 VanDerWaalsContact O-N 3.09Å
60Q93.4Very high95.6Very high184 Ų18467.3 Ų67.386%0.8640%0.395SS*.THydrogen-bonded Turntrans63.88.6-179.6-53.3171.2-13.300115.2L58L58-Q60 VanDerWaalsContact C-N 3.32Å; L58-Q60 PolarHBondContact O-N 2.62Å
61K95.9Very high95.8Very high158 Ų15862.3 Ų62.369%0.68737%0.365SS*.EExtended strand (participates in β ladder)trans-105.9122.8175.3-64.9-177.4-179.9-178.90110.2Q57 L58 N59Q57-K61 CarbonylContact C-O 3.56Å; Q57-K61 VanDerWaalsContact CA-O 3.26Å; Q57-K61 WeakPolarHBondContact CA-O 3.03Å; L58-K61 PolarHBondContact N-O 3.04Å; L58-K61 PolarHBondContact O-N 2.92Å; L58-K61 VanDerWaalsContact O-N 3.1Å; N59-K61 PolarHBondContact O-N 3.1Å; N59-K61 VanDerWaalsContact O-N 3.09Å
62A95.6Very high95.9Very high78 Ų7858.8 Ų58.865%0.64533%0.329SS*.EExtended strand (participates in β ladder)trans-61.4136.217400000111.1
63L94.8Very high95.9Very high30 Ų3055.8 Ų55.816%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-99.9135.8174.2-61.9-179.5000109.8W6 L56 L58W6-L63 HydrophobicContact CH2-CD1 3.44Å; W6-L63 VanDerWaalsContact CH2-CD1 3.44Å; W6-L63 HydrophobicContact CZ2-CD1 3.65Å; L56-L63 HydrophobicContact CD2-CD1 4.02Å; L56-L63 HydrophobicContact CG-CD1 4.36Å; L56-L63 PolarHBondContact O-N 3.21Å; L58-L63 HydrophobicContact CB-CD1 3.94Å; L58-L63 HydrophobicContact CB-CD2 4.38Å; L58-L63 HydrophobicContact CB-CG 4.24Å
64T91.4Very high95.7Very high136 Ų13649.2 Ų49.283%0.83427%0.266SS*.SBendtrans-98.1-11.5175.752.80000112.9
65T93Very high95.1Very high54 Ų5446.5 Ų46.533%0.33125%0.253SS..SBendtrans-135.2141.4177.364.30000109.4Q4Q4-T65 PolarHBondContact NE2-OG1 3.09Å
66F94.9Very high94.1Very high58 Ų5846.5 Ų46.525%0.25425%0.249SC..  trans-108.5159.2-176.5-50.7-56.4000111.2Q4 L56 L94Q4-F66 PolarHBondContact NE2-O 2.97Å; L56-F66 HydrophobicContact CB-CD1 3.98Å; L56-F66 HydrophobicContact CB-CE1 3.63Å; L56-F66 HydrophobicContact CD2-CD1 4.03Å; F66-L94 HydrophobicContact CD1-CD1 4Å; F66-L94 HydrophobicContact CD2-CB 4.37Å; F66-L94 HydrophobicContact CD2-CD2 4.09Å; F66-L94 HydrophobicContact CE1-CD1 4.05Å; F66-L94 HydrophobicContact CE1-CD2 4.35Å; F66-L94 HydrophobicContact CE2-CD2 3.69Å; F66-L94 HydrophobicContact CG-CB 4.49Å; F66-L94 HydrophobicContact CG-CD1 4.28Å; F66-L94 HydrophobicContact CZ-CD1 4.36Å; F66-L94 HydrophobicContact CZ-CD2 3.83Å
67P96.8Very high92.7Very high4 Ų448.4 Ų48.43%0.02626%0.262CS..  trans-65.8144.9173.427.5-34.5000112Q4 W6 V70 C96Q4-P67 HydrophobicContact CB-CB 4.5Å; W6-P67 HydrophobicContact CB-CB 4.22Å; W6-P67 HydrophobicContact CB-CG 4.46Å; W6-P67 HydrophobicContact CD2-CB 3.92Å; W6-P67 HydrophobicContact CD2-CG 3.61Å; W6-P67 HydrophobicContact CE3-CG 3.9Å; W6-P67 HydrophobicContact CG-CB 3.68Å; W6-P67 HydrophobicContact CG-CG 3.88Å; W6-P67 HydrophobicContact CZ2-CG 4.32Å; W6-P67 HydrophobicContact CZ3-CG 4.38Å; P67-V70 HydrophobicContact CB-CG2 3.88Å; P67-V70 HydrophobicContact CG-CG2 3.42Å; P67-V70 VanDerWaalsContact CG-CG2 3.42Å; P67-C96 PolarHBondContact O-SG 2.75Å
68D97.5Very high91.5Very high59 Ų5948.2 Ų48.232%0.31627%0.267SS..SBendtrans-74.6-43.3171.4-57.3-67.4000110.1S3 Q4 R97 L303 P304S3-D68 VanDerWaalsContact CA-OD2 3.28Å; S3-D68 WeakPolarHBondContact CA-OD2 3.09Å; Q4-D68 PolarHBondContact N-OD2 3.24Å; Q4-D68 PolarHBondContact O-N 3.41Å; D68-R97 WeakPolarHBondContact O-CB 3.35Å; D68-R97 PolarHBondContact O-N 2.8Å; D68-L303 HydrophobicContact CB-CD2 4.31Å; D68-P304 HydrophobicContact CB-CG 4.15Å
69V98.4Very high90.3Very high1 Ų147.9 Ų47.91%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-128137.6-179.4179.90000110.1Q4 L5 W6 R97 V99 T299 L302 L303Q4-V69 PolarHBondContact O-N 3.43Å; L5-V69 WeakPolarHBondContact CA-O 3.46Å; W6-V69 PolarHBondContact N-O 3.42Å; V69-R97 CarbonylContact C-O 3.47Å; V69-R97 WeakPolarHBondContact CA-O 3.26Å; V69-R97 HydrophobicContact CG2-CB 4.23Å; V69-V99 HydrophobicContact CG1-CG2 4.21Å; V69-T299 HydrophobicContact CG1-CG2 3.69Å; V69-L302 HydrophobicContact CG1-CB 4.48Å; V69-L302 HydrophobicContact CG2-CB 3.94Å; V69-L303 HydrophobicContact CB-CD2 3.97Å; V69-L303 HydrophobicContact CG2-CD2 3.74Å; V69-L303 HydrophobicContact CG2-CG 4.22Å
70V98.6Very high89Confident0 Ų049.1 Ų49.10%027%0.269CS..EExtended strand (participates in β ladder)trans-126.8111.4175.9-174.10000109.1W6 L8 P67 V72 L91 C96 R97 L98 V99W6-V70 HydrophobicContact CB-CG1 4.21Å; W6-V70 HydrophobicContact CB-CG2 4.27Å; W6-V70 CarbonylContact O-C 3.58Å; W6-V70 WeakPolarHBondContact O-CA 3.45Å; L8-V70 HydrophobicContact CB-CG1 3.66Å; L8-V70 HydrophobicContact CD2-CG1 4.12Å; P67-V70 HydrophobicContact CB-CG2 3.88Å; P67-V70 HydrophobicContact CG-CG2 3.42Å; P67-V70 VanDerWaalsContact CG-CG2 3.42Å; V70-V72 HydrophobicContact CG1-CG2 4.08Å; V70-V72 PolarHBondContact O-N 2.86Å; V70-L91 HydrophobicContact CG1-CD1 4.48Å; V70-C96 HydrophobicContact CG2-CB 4.03Å; V70-R97 PolarHBondContact N-O 2.82Å; V70-L98 HydrophobicContact CB-CD1 4.35Å; V70-L98 HydrophobicContact CB-CG 4.21Å; V70-L98 HydrophobicContact CG2-CD1 4.47Å; V70-L98 CarbonylContact O-C 3.57Å; V70-L98 VanDerWaalsContact O-CA 3.31Å; V70-L98 WeakPolarHBondContact O-CA 3.33Å; V70-V99 PolarHBondContact O-N 2.97Å
71L98.4Very high87.8Confident0 Ų042.4 Ų42.40%024%0.242CC..EExtended strand (participates in β ladder)trans-79.8117.7168-164170.4000108.9W6 F7 L8 I22 L26 R73 V99 I295 T299W6-L71 PolarHBondContact O-N 3.35Å; F7-L71 HydrophobicContact CD2-CB 4.35Å; F7-L71 HydrophobicContact CD2-CD2 3.94Å; F7-L71 HydrophobicContact CE2-CD2 3.89Å; L8-L71 PolarHBondContact N-O 3.45Å; I22-L71 HydrophobicContact CG2-CD1 3.54Å; I22-L71 HydrophobicContact CG2-CD2 4.29Å; L26-L71 HydrophobicContact CD1-CB 4.39Å; L26-L71 HydrophobicContact CD1-CD1 3.78Å; L71-R73 HydrophobicContact CD2-CG 3.54Å; L71-V99 CarbonylContact C-O 3.53Å; L71-V99 WeakPolarHBondContact CA-O 3.48Å; L71-I295 HydrophobicContact CD1-CG2 3.71Å; L71-T299 HydrophobicContact CB-CG2 3.98Å; L71-T299 HydrophobicContact CD1-CG2 4.15Å; L71-T299 WeakPolarHBondContact CD1-OG1 3.49Å; L71-T299 HydrophobicContact CG-CG2 4.41Å
72V97.2Very high87.1Confident0 Ų040.6 Ų40.60%024%0.24CC..EExtended strand (participates in β ladder)trans-101.1126.8-174.7-1780000110.3V70 V74 L88 L98 V99 I105 N277V70-V72 HydrophobicContact CG1-CG2 4.08Å; V70-V72 PolarHBondContact O-N 2.86Å; V72-V74 HydrophobicContact CG1-CG1 3.88Å; V72-V74 HydrophobicContact CG1-CG2 4.36Å; V72-L88 HydrophobicContact CB-CD2 4.44Å; V72-L88 HydrophobicContact CG1-CD1 3.87Å; V72-L88 HydrophobicContact CG1-CD2 3.66Å; V72-L88 HydrophobicContact CG1-CG 4.44Å; V72-L88 HydrophobicContact CG2-CD2 3.84Å; V72-L98 HydrophobicContact CG2-CB 4.15Å; V72-L98 HydrophobicContact CG2-CD2 4.06Å; V72-L98 HydrophobicContact CG2-CG 3.97Å; V72-V99 PolarHBondContact N-O 3.19Å; V72-I105 HydrophobicContact CG1-CD1 3.86Å; V72-N277 PolarHBondContact O-OD1 3.11Å
73R95Very high86.6Confident5 Ų539.6 Ų39.62%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-131.5101.7173.3-67.7-62.9-63.7171.1-5.1110.5F7 L8 T9 D10 Q19 I22 L71 N277 V278F7-R73 HydrophobicContact CE2-CB 4.37Å; F7-R73 HydrophobicContact CE2-CG 3.68Å; F7-R73 HydrophobicContact CZ-CB 4.29Å; F7-R73 HydrophobicContact CZ-CG 4.01Å; L8-R73 PolarHBondContact O-N 2.94Å; T9-R73 WeakPolarHBondContact CA-O 3.39Å; T9-R73 PolarHBondContact OG1-O 3.45Å; D10-R73 PolarHBondContact N-O 3.08Å; Q19-R73 VanDerWaalsContact NE2-NE 3.17Å; I22-R73 HydrophobicContact CD1-CG 4.44Å; L71-R73 HydrophobicContact CD2-CG 3.54Å; R73-N277 VanDerWaalsContact NH1-C 3.33Å; R73-N277 PolarHBondContact NH1-OD1 3.2Å; R73-V278 PolarHBondContact NH1-O 2.64Å; R73-V278 PolarHBondContact NH2-O 3.38Å
74V91.2Very high86.4Confident1 Ų138.6 Ų38.61%0.00622%0.223CC..  trans-124.8154.1-178.2-64.80000110.2M42 V72 T76 V79 I105 N277M42-V74 HydrophobicContact CE-CG1 3.54Å; V72-V74 HydrophobicContact CG1-CG1 3.88Å; V72-V74 HydrophobicContact CG1-CG2 4.36Å; V74-T76 PolarHBondContact O-N 3.17Å; V74-V79 HydrophobicContact CB-CG2 3.79Å; V74-V79 HydrophobicContact CG2-CG2 3.53Å; V74-I105 HydrophobicContact CG2-CD1 4.08Å; V74-I105 HydrophobicContact CG2-CG2 4.18Å; V74-N277 VanDerWaalsContact O-CG 3.3Å; V74-N277 PolarHBondContact O-ND2 3.14Å
75P84.6Confident86.4Confident13 Ų1332.6 Ų32.68%0.08419%0.186CC..  trans-78.184.6-179.431.1-33.6000109.7D10 R12 I13 P77 S78 V79D10-P75 HydrophobicContact CB-CG 4.36Å; R12-P75 VanDerWaalsContact NH2-CG 3.3Å; I13-P75 HydrophobicContact CD1-CB 4.23Å; I13-P75 HydrophobicContact CG2-CB 3.96Å; P75-P77 VanDerWaalsContact C-N 3.3Å; P75-P77 VanDerWaalsContact O-CD 3.3Å; P75-P77 WeakPolarHBondContact O-CD 3.38Å; P75-S78 WeakPolarHBondContact CB-OG 3.46Å; P75-S78 CarbonylContact O-C 3.55Å; P75-S78 PolarHBondContact O-N 3.17Å; P75-V79 WeakPolarHBondContact O-CG2 3.44Å; P75-V79 PolarHBondContact O-N 3.29Å
76T75.2Confident86.5Confident16 Ų1633.5 Ų33.510%0.09819%0.191CC..THydrogen-bonded Turntrans-37.7-43.3-174.8-46.10000116.6V74 S78 I109 N277V74-T76 PolarHBondContact O-N 3.17Å; T76-S78 PolarHBondContact O-N 3.27Å; T76-I109 HydrophobicContact CG2-CB 4.48Å; T76-I109 HydrophobicContact CG2-CG1 3.78Å; T76-N277 WeakPolarHBondContact OG1-CB 3.2Å; T76-N277 PolarHBondContact OG1-ND2 3.16Å
77P66.3Low86.6Confident44 Ų4431.3 Ų31.329%0.28618%0.183SC..THydrogen-bonded Turntrans-75.6-17.8179.130.6-39.1000115.2P75 H159P75-P77 VanDerWaalsContact C-N 3.3Å; P75-P77 VanDerWaalsContact O-CD 3.3Å; P75-P77 WeakPolarHBondContact O-CD 3.38Å; P77-H159 HydrophobicContact CB-CB 4.17Å; P77-H159 HydrophobicContact CG-CB 3.94Å; P77-H159 VanDerWaalsContact CG-ND1 3.26Å; P77-H159 WeakPolarHBondContact CG-ND1 3.35Å
78S70.8Confident86.5Confident57 Ų5731.1 Ų31.140%0.39918%0.182SC..THydrogen-bonded Turntrans-130.417.4-177.8620000112.9R12 P75 T76 Q80R12-S78 PolarHBondContact NH1-O 3.23Å; R12-S78 PolarHBondContact NH2-O 3Å; P75-S78 WeakPolarHBondContact CB-OG 3.46Å; P75-S78 CarbonylContact O-C 3.55Å; P75-S78 PolarHBondContact O-N 3.17Å; T76-S78 PolarHBondContact O-N 3.27Å; S78-Q80 PolarHBondContact O-N 3.38Å
79V73.1Confident86.5Confident14 Ų1434.4 Ų34.49%0.08519%0.19CC..  trans-52.5122163.6169.50000106V74 P75 S81 D84 I85 I109V74-V79 HydrophobicContact CB-CG2 3.79Å; V74-V79 HydrophobicContact CG2-CG2 3.53Å; P75-V79 WeakPolarHBondContact O-CG2 3.44Å; P75-V79 PolarHBondContact O-N 3.29Å; V79-S81 VanDerWaalsContact C-N 3.26Å; V79-S81 PolarHBondContact O-N 3.35Å; V79-D84 WeakPolarHBondContact CA-OD2 3.37Å; V79-D84 HydrophobicContact CG1-CB 3.74Å; V79-I85 HydrophobicContact CG1-CD1 4.02Å; V79-I85 HydrophobicContact CG1-CG1 4.13Å; V79-I109 HydrophobicContact CB-CD1 4.22Å; V79-I109 HydrophobicContact CG1-CD1 4.24Å
80Q67.8Low86.5Confident120 Ų12035.2 Ų35.256%0.56119%0.194SC*.  trans-71.694.9170.8-69.4-170.5-18.500105.7S78 D82 S83 D84S78-Q80 PolarHBondContact O-N 3.38Å; Q80-D82 PolarHBondContact O-N 3.47Å; Q80-S83 WeakPolarHBondContact CB-OG 3.33Å; Q80-S83 PolarHBondContact O-N 2.59Å; Q80-S83 PolarHBondContact O-OG 3Å; Q80-S83 PolarHBondContact OE1-OG 3.31Å; Q80-S83 VanDerWaalsContact OE1-OG 3.09Å; Q80-D84 PolarHBondContact N-OD2 3.47Å; Q80-D84 WeakPolarHBondContact O-CB 3.34Å; Q80-D84 PolarHBondContact O-N 3.06Å
81S66.5Low86.4Confident42 Ų4235.2 Ų35.229%0.29419%0.194SC..THydrogen-bonded Turntrans-54.2-22.6-162.956.40000114V79 I85V79-S81 VanDerWaalsContact C-N 3.26Å; V79-S81 PolarHBondContact O-N 3.35Å; S81-I85 WeakPolarHBondContact O-CB 3.34Å; S81-I85 WeakPolarHBondContact O-CG1 3.25Å
82D81.8Confident86.4Confident121 Ų12138.6 Ų38.665%0.64721%0.209SC*.THydrogen-bonded Turntrans-98.2-48.7-177-65.213.9000110.6Q80 T86Q80-D82 PolarHBondContact O-N 3.47Å; D82-T86 WeakPolarHBondContact O-CB 3.25Å; D82-T86 PolarHBondContact O-N 3.22Å; D82-T86 PolarHBondContact O-OG1 3.41Å
83S85.7Confident86.4Confident57 Ų5746 Ų4640%0.39924%0.241SC..Hα-helixtrans-70.1-52.6-179.151.40000112.4Q80 T86 V87Q80-S83 WeakPolarHBondContact CB-OG 3.33Å; Q80-S83 PolarHBondContact O-N 2.59Å; Q80-S83 PolarHBondContact O-OG 3Å; Q80-S83 PolarHBondContact OE1-OG 3.31Å; Q80-S83 VanDerWaalsContact OE1-OG 3.09Å; S83-T86 WeakPolarHBondContact O-CB 3.4Å; S83-T86 PolarHBondContact O-N 3.2Å; S83-V87 PolarHBondContact O-N 3.3Å
84D90Very high86.5Confident9 Ų947.3 Ų47.35%0.04825%0.249CC..Hα-helixtrans-65.2-46.6-177-67.4-26.9000110.4R12 V79 Q80 T86 V87 L88R12-D84 IonicContact NH2-OD2 3.45Å; V79-D84 WeakPolarHBondContact CA-OD2 3.37Å; V79-D84 HydrophobicContact CG1-CB 3.74Å; Q80-D84 PolarHBondContact N-OD2 3.47Å; Q80-D84 WeakPolarHBondContact O-CB 3.34Å; Q80-D84 PolarHBondContact O-N 3.06Å; D84-T86 VanDerWaalsContact C-N 3.29Å; D84-T86 PolarHBondContact O-N 3.22Å; D84-V87 PolarHBondContact O-N 3.21Å; D84-L88 WeakPolarHBondContact O-CG 3.42Å; D84-L88 PolarHBondContact O-N 3.48Å
85I92.3Very high86.7Confident9 Ų950.4 Ų50.45%0.04628%0.281CS..Hα-helixtrans-68-31.6179.7-57.5-63.1000111.1V79 S81 V87 L88 R89 L106V79-I85 HydrophobicContact CG1-CD1 4.02Å; V79-I85 HydrophobicContact CG1-CG1 4.13Å; S81-I85 WeakPolarHBondContact O-CB 3.34Å; S81-I85 WeakPolarHBondContact O-CG1 3.25Å; I85-V87 VanDerWaalsContact C-N 3.32Å; I85-V87 PolarHBondContact O-N 3.41Å; I85-L88 HydrophobicContact CD1-CD1 4.32Å; I85-L88 PolarHBondContact O-N 2.87Å; I85-R89 HydrophobicContact CG2-CG 3.87Å; I85-R89 VanDerWaalsContact O-CB 3.3Å; I85-R89 WeakPolarHBondContact O-CB 3.41Å; I85-R89 VanDerWaalsContact O-CG 3.28Å; I85-R89 WeakPolarHBondContact O-CG 3.43Å; I85-R89 PolarHBondContact O-N 3.03Å; I85-L106 HydrophobicContact CD1-CD2 4.12Å; I85-L106 HydrophobicContact CD1-CG 4.11Å; I85-L106 HydrophobicContact CG1-CD2 4.06Å; I85-L106 HydrophobicContact CG1-CG 4.49Å; I85-L106 HydrophobicContact CG2-CD1 4.11Å
86T94.9Very high87.3Confident73 Ų7350.1 Ų50.145%0.44828%0.279SS..Hα-helixtrans-58.4-46.1172.3-71.20000110.8V47 D82 S83 D84 H90V47-T86 HydrophobicContact CG2-CG2 4.07Å; D82-T86 WeakPolarHBondContact O-CB 3.25Å; D82-T86 PolarHBondContact O-N 3.22Å; D82-T86 PolarHBondContact O-OG1 3.41Å; S83-T86 WeakPolarHBondContact O-CB 3.4Å; S83-T86 PolarHBondContact O-N 3.2Å; D84-T86 VanDerWaalsContact C-N 3.29Å; D84-T86 PolarHBondContact O-N 3.22Å; T86-H90 VanDerWaalsContact O-CB 3.23Å; T86-H90 WeakPolarHBondContact O-CB 3.46Å; T86-H90 PolarHBondContact O-N 3.13Å
87V95.9Very high88.4Confident13 Ų1352 Ų528%0.07928%0.284CS..Hα-helixtrans-61.8-48176.4176.30000111M42 I45 V47 S83 D84 I85 H90 L91M42-V87 HydrophobicContact SD-CB 3.7Å; M42-V87 HydrophobicContact SD-CG1 3.52Å; M42-V87 VanDerWaalsContact SD-CG1 3.52Å; M42-V87 HydrophobicContact SD-CG2 4.21Å; I45-V87 HydrophobicContact CB-CG1 4.19Å; I45-V87 HydrophobicContact CD1-CG1 3.87Å; I45-V87 HydrophobicContact CG2-CG1 3.84Å; V47-V87 HydrophobicContact CG1-CG2 4.37Å; S83-V87 PolarHBondContact O-N 3.3Å; D84-V87 PolarHBondContact O-N 3.21Å; I85-V87 VanDerWaalsContact C-N 3.32Å; I85-V87 PolarHBondContact O-N 3.41Å; V87-H90 WeakPolarHBondContact O-CB 3.26Å; V87-H90 PolarHBondContact O-N 3.16Å; V87-L91 HydrophobicContact CG1-CD1 4.19Å; V87-L91 WeakPolarHBondContact O-CG 3.41Å; V87-L91 PolarHBondContact O-N 2.9Å
88L96.2Very high89.9Confident0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-63.8-45.3-178.1-61.9-177.6000112.4L8 M42 V72 D84 I85 H90 L91 E92 L98 P102 I105L8-L88 HydrophobicContact CD2-CD2 3.63Å; M42-L88 HydrophobicContact CE-CD2 3.94Å; M42-L88 HydrophobicContact CE-CG 4.34Å; V72-L88 HydrophobicContact CB-CD2 4.44Å; V72-L88 HydrophobicContact CG1-CD1 3.87Å; V72-L88 HydrophobicContact CG1-CD2 3.66Å; V72-L88 HydrophobicContact CG1-CG 4.44Å; V72-L88 HydrophobicContact CG2-CD2 3.84Å; D84-L88 WeakPolarHBondContact O-CG 3.42Å; D84-L88 PolarHBondContact O-N 3.48Å; I85-L88 HydrophobicContact CD1-CD1 4.32Å; I85-L88 PolarHBondContact O-N 2.87Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.36Å; L88-L91 PolarHBondContact O-N 3.34Å; L88-E92 PolarHBondContact O-N 3.18Å; L88-L98 HydrophobicContact CB-CD2 3.9Å; L88-L98 HydrophobicContact CD2-CD2 4.02Å; L88-L98 VanDerWaalsContact O-CD2 3.26Å; L88-L98 WeakPolarHBondContact O-CD2 3.43Å; L88-P102 HydrophobicContact CB-CB 4.07Å; L88-P102 HydrophobicContact CB-CG 3.8Å; L88-I105 HydrophobicContact CD1-CD1 3.86Å
89R96.6Very high91.2Very high127 Ų12747.2 Ų47.248%0.47925%0.252SS..Hα-helixtrans-61.6-38.2174.6-73.317466.4101.2-3.2111.5I85 E92 K93 P102I85-R89 HydrophobicContact CG2-CG 3.87Å; I85-R89 VanDerWaalsContact O-CB 3.3Å; I85-R89 WeakPolarHBondContact O-CB 3.41Å; I85-R89 VanDerWaalsContact O-CG 3.28Å; I85-R89 WeakPolarHBondContact O-CG 3.43Å; I85-R89 PolarHBondContact O-N 3.03Å; R89-E92 PolarHBondContact O-N 3.48Å; R89-K93 WeakPolarHBondContact O-CB 3.49Å; R89-K93 VanDerWaalsContact O-CG 3.28Å; R89-K93 WeakPolarHBondContact O-CG 3.18Å; R89-K93 PolarHBondContact O-N 3.27Å; R89-P102 HydrophobicContact CG-CB 4.05Å; R89-P102 HydrophobicContact CG-CG 4.24Å
90H97.7Very high92.4Very high19 Ų1946.6 Ų46.69%0.08825%0.248CC..Hα-helixtrans-65.3-44.3178-167.197.8000111.7V47 T48 G55 T86 V87 L88 E92 K93 L94V47-H90 HydrophobicContact CB-CB 4.15Å; V47-H90 HydrophobicContact CG1-CB 3.65Å; V47-H90 VanDerWaalsContact CG1-CG 3.5Å; T48-H90 PolarHBondContact O-CE1 2.96Å; G55-H90 PolarHBondContact O-NE2 3.16Å; T86-H90 VanDerWaalsContact O-CB 3.23Å; T86-H90 WeakPolarHBondContact O-CB 3.46Å; T86-H90 PolarHBondContact O-N 3.13Å; V87-H90 WeakPolarHBondContact O-CB 3.26Å; V87-H90 PolarHBondContact O-N 3.16Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.36Å; H90-E92 VanDerWaalsContact C-N 3.34Å; H90-E92 PolarHBondContact O-N 3.19Å; H90-K93 PolarHBondContact O-N 2.9Å; H90-L94 WeakPolarHBondContact O-CG 3.43Å; H90-L94 PolarHBondContact O-N 3.36Å
91L97.9Very high93.7Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-60.9-42.4174.7-69170.5000111.7L8 L56 V70 V87 L88 L94 G95 C96 L98L8-L91 HydrophobicContact CD2-CD1 3.68Å; L56-L91 HydrophobicContact CD1-CD2 4.03Å; L56-L91 HydrophobicContact CD2-CD2 3.67Å; V70-L91 HydrophobicContact CG1-CD1 4.48Å; V87-L91 HydrophobicContact CG1-CD1 4.19Å; V87-L91 WeakPolarHBondContact O-CG 3.41Å; V87-L91 PolarHBondContact O-N 2.9Å; L88-L91 PolarHBondContact O-N 3.34Å; L91-L94 WeakPolarHBondContact O-CB 3.3Å; L91-L94 PolarHBondContact O-N 3.08Å; L91-G95 PolarHBondContact O-N 3.42Å; L91-C96 HydrophobicContact CB-CB 4.43Å; L91-C96 VanDerWaalsContact O-CB 3.23Å; L91-C96 WeakPolarHBondContact O-CB 3.45Å; L91-C96 PolarHBondContact O-N 2.94Å; L91-C96 VanDerWaalsContact O-N 3.11Å; L91-C96 PolarHBondContact O-SG 3.35Å; L91-L98 HydrophobicContact CB-CD1 3.91Å; L91-L98 HydrophobicContact CB-CD2 4.41Å
92E97.2Very high95Very high71 Ų7144.3 Ų44.333%0.33223%0.228SC..Hα-helixtrans-62.3-42174.9-173.4175-116.900111.7L88 R89 H90 L94 G95 L98 P102L88-E92 PolarHBondContact O-N 3.18Å; R89-E92 PolarHBondContact O-N 3.48Å; H90-E92 VanDerWaalsContact C-N 3.34Å; H90-E92 PolarHBondContact O-N 3.19Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.31Å; E92-G95 WeakPolarHBondContact O-CA 3.47Å; E92-G95 PolarHBondContact O-N 3.31Å; E92-L98 HydrophobicContact CB-CD1 4.28Å; E92-P102 HydrophobicContact CB-CG 4.44Å
93K97.4Very high95.7Very high154 Ų15443.2 Ų43.267%0.6722%0.219SC*.Hα-helixtrans-68.4-24.6175.7-71.2-67.5-178.5-173.30114L54 R89 H90 G95L54-K93 HydrophobicContact CD1-CB 3.63Å; R89-K93 WeakPolarHBondContact O-CB 3.49Å; R89-K93 VanDerWaalsContact O-CG 3.28Å; R89-K93 WeakPolarHBondContact O-CG 3.18Å; R89-K93 PolarHBondContact O-N 3.27Å; H90-K93 PolarHBondContact O-N 2.9Å; K93-G95 PolarHBondContact O-N 3.27Å
94L96.8Very high96.1Very high33 Ų3340.8 Ų40.817%0.17320%0.202CC..THydrogen-bonded Turntrans-73.8-2.3168.6-74.2172.3000113.1L54 L56 F66 H90 L91 E92L54-L94 HydrophobicContact CB-CD2 3.44Å; L54-L94 VanDerWaalsContact CB-CD2 3.44Å; L54-L94 HydrophobicContact CB-CG 4.18Å; L54-L94 HydrophobicContact CD1-CD2 4.22Å; L54-L94 HydrophobicContact CD1-CG 4.4Å; L54-L94 HydrophobicContact CG-CD2 4.49Å; L56-L94 HydrophobicContact CB-CD1 4.05Å; L56-L94 HydrophobicContact CD1-CD1 4.45Å; L56-L94 HydrophobicContact CD2-CD1 4.41Å; F66-L94 HydrophobicContact CD1-CD1 4Å; F66-L94 HydrophobicContact CD2-CB 4.37Å; F66-L94 HydrophobicContact CD2-CD2 4.09Å; F66-L94 HydrophobicContact CE1-CD1 4.05Å; F66-L94 HydrophobicContact CE1-CD2 4.35Å; F66-L94 HydrophobicContact CE2-CD2 3.69Å; F66-L94 HydrophobicContact CG-CB 4.49Å; F66-L94 HydrophobicContact CG-CD1 4.28Å; F66-L94 HydrophobicContact CZ-CD1 4.36Å; F66-L94 HydrophobicContact CZ-CD2 3.83Å; H90-L94 WeakPolarHBondContact O-CG 3.43Å; H90-L94 PolarHBondContact O-N 3.36Å; L91-L94 WeakPolarHBondContact O-CB 3.3Å; L91-L94 PolarHBondContact O-N 3.08Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.31Å
95G96.1Very high96.3Very high66 Ų6640.3 Ų40.368%0.6820%0.2SC*.THydrogen-bonded Turntrans918.4178.700000114.6L91 E92 K93L91-G95 PolarHBondContact O-N 3.42Å; E92-G95 WeakPolarHBondContact O-CA 3.47Å; E92-G95 PolarHBondContact O-N 3.31Å; K93-G95 PolarHBondContact O-N 3.27Å
96C97.8Very high96.3Very high7 Ų741.5 Ų41.55%0.04721%0.206CC..  trans-73.7139.2179.2-48.40000110.7P67 V70 L91 L98P67-C96 PolarHBondContact O-SG 2.75Å; V70-C96 HydrophobicContact CG2-CB 4.03Å; L91-C96 HydrophobicContact CB-CB 4.43Å; L91-C96 VanDerWaalsContact O-CB 3.23Å; L91-C96 WeakPolarHBondContact O-CB 3.45Å; L91-C96 PolarHBondContact O-N 2.94Å; L91-C96 VanDerWaalsContact O-N 3.11Å; L91-C96 PolarHBondContact O-SG 3.35Å; C96-L98 HydrophobicContact CB-CD1 3.77Å; C96-L98 VanDerWaalsContact O-CD1 3.28Å; C96-L98 WeakPolarHBondContact O-CD1 3.46Å; C96-L98 PolarHBondContact O-N 3.38Å
97R97.8Very high96.2Very high56 Ų5638.5 Ų38.521%0.21119%0.187CC..EExtended strand (participates in β ladder)trans-82.7104.1170.8176.456170.6105.53.4110.5D68 V69 V70 D255 L302D68-R97 WeakPolarHBondContact O-CB 3.35Å; D68-R97 PolarHBondContact O-N 2.8Å; V69-R97 CarbonylContact C-O 3.47Å; V69-R97 WeakPolarHBondContact CA-O 3.26Å; V69-R97 HydrophobicContact CG2-CB 4.23Å; V70-R97 PolarHBondContact N-O 2.82Å; R97-D255 IonicContact CZ-OD1 2.87Å; R97-D255 IonicContact CZ-OD2 3.47Å; R97-D255 IonicContact NH1-OD1 2.59Å; R97-D255 IonicContact NH1-OD2 3.16Å; R97-D255 PolarHBondContact NH1-OD2 3.06Å; R97-D255 IonicContact NH2-OD1 2.95Å; R97-D255 PolarHBondContact NH2-OD1 3.35Å; R97-D255 IonicContact NH2-OD2 3.8Å; R97-D255 PolarHBondContact NH2-OD2 3.41Å; R97-L302 HydrophobicContact CG-CD1 4.34Å
98L98.3Very high96Very high1 Ų138.6 Ų38.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-87.2140.2179.6-83.266.6000112.3V70 V72 L88 L91 E92 C96 N100 R101 P102V70-L98 HydrophobicContact CB-CD1 4.35Å; V70-L98 HydrophobicContact CB-CG 4.21Å; V70-L98 HydrophobicContact CG2-CD1 4.47Å; V70-L98 CarbonylContact O-C 3.57Å; V70-L98 VanDerWaalsContact O-CA 3.31Å; V70-L98 WeakPolarHBondContact O-CA 3.33Å; V72-L98 HydrophobicContact CG2-CB 4.15Å; V72-L98 HydrophobicContact CG2-CD2 4.06Å; V72-L98 HydrophobicContact CG2-CG 3.97Å; L88-L98 HydrophobicContact CB-CD2 3.9Å; L88-L98 HydrophobicContact CD2-CD2 4.02Å; L88-L98 VanDerWaalsContact O-CD2 3.26Å; L88-L98 WeakPolarHBondContact O-CD2 3.43Å; L91-L98 HydrophobicContact CB-CD1 3.91Å; L91-L98 HydrophobicContact CB-CD2 4.41Å; E92-L98 HydrophobicContact CB-CD1 4.28Å; C96-L98 HydrophobicContact CB-CD1 3.77Å; C96-L98 VanDerWaalsContact O-CD1 3.28Å; C96-L98 WeakPolarHBondContact O-CD1 3.46Å; C96-L98 PolarHBondContact O-N 3.38Å; L98-N100 CarbonylContact O-C 3.58Å; L98-R101 HydrophobicContact CB-CG 4.48Å; L98-R101 WeakPolarHBondContact O-CG 3.39Å; L98-P102 HydrophobicContact CD2-CG 4.05Å
99V98.1Very high95.7Very high0 Ų039.1 Ų39.10%019%0.191CC..EExtended strand (participates in β ladder)trans-131.498.7-178.3-179.70000109.4V69 V70 L71 V72 D255 F256 Y298 L302V69-V99 HydrophobicContact CG1-CG2 4.21Å; V70-V99 PolarHBondContact O-N 2.97Å; L71-V99 CarbonylContact C-O 3.53Å; L71-V99 WeakPolarHBondContact CA-O 3.48Å; V72-V99 PolarHBondContact N-O 3.19Å; V99-D255 HydrophobicContact CG1-CB 3.67Å; V99-F256 HydrophobicContact CG1-CD1 3.89Å; V99-F256 HydrophobicContact CG1-CE1 4.04Å; V99-Y298 HydrophobicContact CG1-CE1 4.28Å; V99-L302 HydrophobicContact CG2-CD1 3.41Å; V99-L302 VanDerWaalsContact CG2-CD1 3.41Å
100N97.4Very high95.4Very high0 Ų033.5 Ų33.50%017%0.17CC..SBendcis-74161.9-7.6-77.1-46.7000112.6L98 I105 M254 D255 F256 A276L98-N100 CarbonylContact O-C 3.58Å; N100-I105 HydrophobicContact CB-CD1 4.45Å; N100-I105 HydrophobicContact CB-CG1 4.06Å; N100-M254 WeakPolarHBondContact OD1-CA 3.39Å; N100-D255 WeakPolarHBondContact OD1-CA 3.08Å; N100-D255 VanDerWaalsContact OD1-CB 3.3Å; N100-D255 WeakPolarHBondContact OD1-CB 3.44Å; N100-D255 PolarHBondContact OD1-N 2.87Å; N100-F256 PolarHBondContact ND2-O 3.47Å; N100-F256 PolarHBondContact OD1-N 2.86Å; N100-A276 PolarHBondContact ND2-O 3.28Å
101R95.8Very high95.1Very high113 Ų11333.7 Ų33.743%0.42617%0.171SC..  trans-72.1159.2174-62.9-174.3-171.11770.1112L98 Q103 S104 I105L98-R101 HydrophobicContact CB-CG 4.48Å; L98-R101 WeakPolarHBondContact O-CG 3.39Å; R101-Q103 VanDerWaalsContact C-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.47Å; R101-S104 PolarHBondContact O-N 3.22Å; R101-I105 WeakPolarHBondContact O-CG1 3.21Å; R101-I105 PolarHBondContact O-N 2.71Å
102P94.4Very high94.9Very high2 Ų236 Ų361%0.01318%0.181CC..Hα-helixtrans-58.2-42.1-179-14.923.8000112.5L88 R89 E92 L98 I105 L106L88-P102 HydrophobicContact CB-CB 4.07Å; L88-P102 HydrophobicContact CB-CG 3.8Å; R89-P102 HydrophobicContact CG-CB 4.05Å; R89-P102 HydrophobicContact CG-CG 4.24Å; E92-P102 HydrophobicContact CB-CG 4.44Å; L98-P102 HydrophobicContact CD2-CG 4.05Å; P102-I105 PolarHBondContact O-N 2.94Å; P102-L106 WeakPolarHBondContact O-CG 3.48Å; P102-L106 PolarHBondContact O-N 3.37Å
103Q94.6Very high94.8Very high98 Ų9837.2 Ų37.246%0.45818%0.183SC..Hα-helixtrans-63.1-44.2180-169.762.545.200111.9R101 I105 L106 N107R101-Q103 VanDerWaalsContact C-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.47Å; Q103-I105 VanDerWaalsContact C-N 3.27Å; Q103-I105 PolarHBondContact O-N 3.4Å; Q103-L106 WeakPolarHBondContact O-CB 3.5Å; Q103-L106 PolarHBondContact O-N 2.84Å; Q103-L106 VanDerWaalsContact O-N 3.16Å; Q103-N107 PolarHBondContact NE2-OD1 2.86Å; Q103-N107 VanDerWaalsContact O-CG 3.28Å; Q103-N107 PolarHBondContact O-N 2.82Å; Q103-N107 PolarHBondContact O-OD1 3.33Å
104S94.8Very high94.8Very high5 Ų530 Ų304%0.03515%0.151CC..Hα-helixtrans-62.4-37.1178.8-31.80000111.8R101 C108 L252 G253R101-S104 PolarHBondContact O-N 3.22Å; S104-C108 PolarHBondContact O-SG 3Å; S104-C108 VanDerWaalsContact O-SG 3.38Å; S104-L252 WeakPolarHBondContact CA-O 3.47Å; S104-L252 VanDerWaalsContact CB-O 3.25Å; S104-L252 WeakPolarHBondContact CB-O 3.42Å; S104-G253 WeakPolarHBondContact CB-O 2.96Å; S104-G253 PolarHBondContact OG-O 3.11Å
105I93.7Very high94.8Very high0 Ų029.1 Ų29.10%015%0.146CC..Hα-helixtrans-65-51.7173.6-64.8166000109.6V72 V74 L88 N100 R101 P102 Q103 N107 C108 I109 A276V72-I105 HydrophobicContact CG1-CD1 3.86Å; V74-I105 HydrophobicContact CG2-CD1 4.08Å; V74-I105 HydrophobicContact CG2-CG2 4.18Å; L88-I105 HydrophobicContact CD1-CD1 3.86Å; N100-I105 HydrophobicContact CB-CD1 4.45Å; N100-I105 HydrophobicContact CB-CG1 4.06Å; R101-I105 WeakPolarHBondContact O-CG1 3.21Å; R101-I105 PolarHBondContact O-N 2.71Å; P102-I105 PolarHBondContact O-N 2.94Å; Q103-I105 VanDerWaalsContact C-N 3.27Å; Q103-I105 PolarHBondContact O-N 3.4Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 2.85Å; I105-C108 CarbonylContact O-C 3.6Å; I105-C108 PolarHBondContact O-N 2.81Å; I105-I109 HydrophobicContact CG2-CD1 4.25Å; I105-I109 HydrophobicContact CG2-CG1 4.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 3.45Å; I105-A276 HydrophobicContact CG1-CB 4.36Å
106L92.1Very high94.8Very high34 Ų3431.1 Ų31.118%0.17814%0.138CC..Hα-helixtrans-54.5-45.4179.4-77.6167.9000112.3I85 P102 Q103 C108 I109I85-L106 HydrophobicContact CD1-CD2 4.12Å; I85-L106 HydrophobicContact CD1-CG 4.11Å; I85-L106 HydrophobicContact CG1-CD2 4.06Å; I85-L106 HydrophobicContact CG1-CG 4.49Å; I85-L106 HydrophobicContact CG2-CD1 4.11Å; P102-L106 WeakPolarHBondContact O-CG 3.48Å; P102-L106 PolarHBondContact O-N 3.37Å; Q103-L106 WeakPolarHBondContact O-CB 3.5Å; Q103-L106 PolarHBondContact O-N 2.84Å; Q103-L106 VanDerWaalsContact O-N 3.16Å; L106-C108 PolarHBondContact O-N 3.46Å; L106-I109 HydrophobicContact CD2-CD1 4.14Å; L106-I109 PolarHBondContact O-N 2.96Å; L106-I109 VanDerWaalsContact O-N 3.12Å
107N92.9Very high94.8Very high10 Ų1034.7 Ų34.75%0.05315%0.154CC..Hα-helixtrans-57.9-22.5177.7-71.79.6000112.7Q103 I105 T114 E117 L252Q103-N107 PolarHBondContact NE2-OD1 2.86Å; Q103-N107 VanDerWaalsContact O-CG 3.28Å; Q103-N107 PolarHBondContact O-N 2.82Å; Q103-N107 PolarHBondContact O-OD1 3.33Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 2.85Å; N107-T114 WeakPolarHBondContact O-CA 3.47Å; N107-T114 PolarHBondContact O-N 3.36Å; N107-T114 PolarHBondContact O-OG1 3.37Å; N107-E117 HydrophobicContact CB-CG 4.26Å; N107-E117 PolarHBondContact ND2-OE2 3.36Å; N107-L252 HydrophobicContact CB-CD2 4.11Å
108C92Very high94.9Very high14 Ų1432 Ų3210%0.09514%0.144CC..Hα-helixtrans-107-2.6-179-59.50000114.5S104 I105 L106 N110 A276S104-C108 PolarHBondContact O-SG 3Å; S104-C108 VanDerWaalsContact O-SG 3.38Å; I105-C108 CarbonylContact O-C 3.6Å; I105-C108 PolarHBondContact O-N 2.81Å; L106-C108 PolarHBondContact O-N 3.46Å; C108-N110 VanDerWaalsContact C-N 3.34Å; C108-A276 HydrophobicContact CB-CB 3.89Å
109I89.5Confident94.8Very high12 Ų1234.8 Ų34.86%0.06217%0.166CC..Hα-helixtrans-71.1-34.9178.6-68.2178.1000111T76 V79 I105 L106T76-I109 HydrophobicContact CG2-CB 4.48Å; T76-I109 HydrophobicContact CG2-CG1 3.78Å; V79-I109 HydrophobicContact CB-CD1 4.22Å; V79-I109 HydrophobicContact CG1-CD1 4.24Å; I105-I109 HydrophobicContact CG2-CD1 4.25Å; I105-I109 HydrophobicContact CG2-CG1 4.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 3.45Å; L106-I109 HydrophobicContact CD2-CD1 4.14Å; L106-I109 PolarHBondContact O-N 2.96Å; L106-I109 VanDerWaalsContact O-N 3.12Å
110N90.3Very high94.6Very high9 Ų938.9 Ų38.95%0.04821%0.209CC..SBendtrans-117.2122.5178.3-178.6-28.5000109.2C108 F112 W113 T114 T156C108-N110 VanDerWaalsContact C-N 3.34Å; N110-F112 PolarHBondContact O-N 3.49Å; N110-F112 WeakPolarHBondContact OD1-CB 3.46Å; N110-F112 PolarHBondContact OD1-N 3.34Å; N110-W113 HydrophobicContact CB-CB 4Å; N110-W113 HydrophobicContact CB-CD2 3.4Å; N110-W113 HydrophobicContact CB-CE3 3.59Å; N110-W113 HydrophobicContact CB-CG 3.57Å; N110-W113 HydrophobicContact CB-CZ3 4.26Å; N110-W113 PolarHBondContact ND2-NE1 3.03Å; N110-W113 WeakPolarHBondContact O-CB 3.42Å; N110-W113 PolarHBondContact O-N 2.73Å; N110-W113 VanDerWaalsContact O-N 3.11Å; N110-T114 PolarHBondContact O-N 3.45Å; N110-T114 VanDerWaalsContact O-N 3.08Å; N110-T114 PolarHBondContact O-OG1 3.4Å; N110-T156 WeakPolarHBondContact OD1-CB 3.46Å
111K92.4Very high94.6Very high23 Ų2343.9 Ų43.910%0.123%0.232CC..Hα-helixtrans-58.5-34.5-178.9-64.7178.8-173.268.90113T114 F115 K154 S155 T156 G158 L187 E273K111-T114 WeakPolarHBondContact O-CB 3.28Å; K111-T114 PolarHBondContact O-N 2.96Å; K111-F115 PolarHBondContact O-N 2.86Å; K111-K154 HydrophobicContact CD-CD 4.47Å; K111-S155 PolarHBondContact NZ-O 3.42Å; K111-T156 PolarHBondContact N-O 3.39Å; K111-G158 PolarHBondContact NZ-O 2.76Å; K111-L187 HydrophobicContact CB-CD1 4.02Å; K111-E273 WeakPolarHBondContact CE-OE2 3.44Å
112F94.4Very high94.7Very high48 Ų4841.9 Ų41.921%0.21125%0.246CC..Hα-helixtrans-74-37.9178.1-162.9-104.9000111.8N110 T114 F115 Q116 T128 T156 L187N110-F112 PolarHBondContact O-N 3.49Å; N110-F112 WeakPolarHBondContact OD1-CB 3.46Å; N110-F112 PolarHBondContact OD1-N 3.34Å; F112-T114 VanDerWaalsContact C-N 3.25Å; F112-T114 PolarHBondContact O-N 2.9Å; F112-F115 PolarHBondContact O-N 3.45Å; F112-Q116 HydrophobicContact CD1-CG 4.04Å; F112-Q116 HydrophobicContact CE1-CG 3.95Å; F112-Q116 WeakPolarHBondContact O-CG 3.4Å; F112-Q116 PolarHBondContact O-N 3.43Å; F112-T128 HydrophobicContact CD2-CG2 4.07Å; F112-T128 HydrophobicContact CE2-CG2 4.08Å; F112-T156 HydrophobicContact CB-CG2 4.41Å; F112-L187 HydrophobicContact CB-CD1 4.08Å; F112-L187 HydrophobicContact CD2-CD1 3.97Å; F112-L187 HydrophobicContact CD2-CG 4.43Å
113W94.5Very high94.9Very high97 Ų9742.3 Ų42.337%0.36725%0.249SC..Hα-helixtrans-60.5-38.7173.1-61.7-11.4000111.1N110 F115 Q116 E117N110-W113 HydrophobicContact CB-CB 4Å; N110-W113 HydrophobicContact CB-CD2 3.4Å; N110-W113 HydrophobicContact CB-CE3 3.59Å; N110-W113 HydrophobicContact CB-CG 3.57Å; N110-W113 HydrophobicContact CB-CZ3 4.26Å; N110-W113 PolarHBondContact ND2-NE1 3.03Å; N110-W113 WeakPolarHBondContact O-CB 3.42Å; N110-W113 PolarHBondContact O-N 2.73Å; N110-W113 VanDerWaalsContact O-N 3.11Å; W113-F115 VanDerWaalsContact C-N 3.3Å; W113-F115 PolarHBondContact O-N 2.99Å; W113-Q116 VanDerWaalsContact CD1-OE1 3.25Å; W113-Q116 WeakPolarHBondContact O-CB 3.46Å; W113-Q116 PolarHBondContact O-N 3.18Å; W113-Q116 VanDerWaalsContact O-N 3.16Å; W113-E117 WeakPolarHBondContact O-CG 3.44Å; W113-E117 PolarHBondContact O-N 3.01Å
114T96.3Very high95Very high3 Ų340.1 Ų40.12%0.01824%0.243CC..Hα-helixtrans-55.1-46.8172.1-52.80000111.4N107 N110 K111 F112 E117 L118 L252 A274N107-T114 WeakPolarHBondContact O-CA 3.47Å; N107-T114 PolarHBondContact O-N 3.36Å; N107-T114 PolarHBondContact O-OG1 3.37Å; N110-T114 PolarHBondContact O-N 3.45Å; N110-T114 VanDerWaalsContact O-N 3.08Å; N110-T114 PolarHBondContact O-OG1 3.4Å; K111-T114 WeakPolarHBondContact O-CB 3.28Å; K111-T114 PolarHBondContact O-N 2.96Å; F112-T114 VanDerWaalsContact C-N 3.25Å; F112-T114 PolarHBondContact O-N 2.9Å; T114-E117 PolarHBondContact O-N 2.99Å; T114-L118 HydrophobicContact CG2-CD1 4Å; T114-L118 VanDerWaalsContact O-CG 3.25Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 2.88Å; T114-L118 VanDerWaalsContact O-N 3.13Å; T114-L252 HydrophobicContact CG2-CD1 3.8Å; T114-L252 HydrophobicContact CG2-CD2 4.32Å; T114-A274 HydrophobicContact CG2-CB 3.78Å
115F97.4Very high95.2Very high13 Ų1342 Ų426%0.05725%0.252CS..Hα-helixtrans-69-32.7178.6-66.6-13.7000113.3K111 F112 W113 E117 L118 A119 M125 T128 L187 C272K111-F115 PolarHBondContact O-N 2.86Å; F112-F115 PolarHBondContact O-N 3.45Å; W113-F115 VanDerWaalsContact C-N 3.3Å; W113-F115 PolarHBondContact O-N 2.99Å; F115-E117 VanDerWaalsContact C-N 3.33Å; F115-L118 HydrophobicContact CD1-CD1 4.48Å; F115-L118 PolarHBondContact O-N 3.25Å; F115-A119 WeakPolarHBondContact O-CB 3.32Å; F115-A119 PolarHBondContact O-N 2.87Å; F115-M125 HydrophobicContact CB-SD 3.93Å; F115-M125 HydrophobicContact CD1-CG 4.37Å; F115-M125 HydrophobicContact CD1-SD 3.4Å; F115-M125 WeakPolarHBondContact CD1-SD 3.37Å; F115-M125 HydrophobicContact CE1-CG 4.47Å; F115-M125 HydrophobicContact CE1-SD 4.05Å; F115-M125 HydrophobicContact CG-SD 3.78Å; F115-T128 HydrophobicContact CD2-CG2 3.86Å; F115-T128 HydrophobicContact CE2-CG2 3.93Å; F115-L187 HydrophobicContact CD2-CD1 4.17Å; F115-L187 HydrophobicContact CE2-CD1 4.02Å; F115-C272 WeakPolarHBondContact CZ-O 3.28Å
116Q97Very high95.3Very high108 Ų10842.5 Ų42.551%0.50526%0.255SS..Hα-helixtrans-62-41.9173.4-70.1177.8-60.100111.6F112 W113 L118 A119F112-Q116 HydrophobicContact CD1-CG 4.04Å; F112-Q116 HydrophobicContact CE1-CG 3.95Å; F112-Q116 WeakPolarHBondContact O-CG 3.4Å; F112-Q116 PolarHBondContact O-N 3.43Å; W113-Q116 VanDerWaalsContact CD1-OE1 3.25Å; W113-Q116 WeakPolarHBondContact O-CB 3.46Å; W113-Q116 PolarHBondContact O-N 3.18Å; W113-Q116 VanDerWaalsContact O-N 3.16Å; Q116-L118 VanDerWaalsContact C-N 3.32Å; Q116-L118 PolarHBondContact O-N 3.36Å; Q116-A119 PolarHBondContact O-N 3.45Å
117E97.9Very high95.6Very high83 Ų8345.2 Ų45.239%0.38827%0.27SS..Hα-helixtrans-69.7-28.3177.2-62.4-72.4129.900112.6N107 W113 T114 F115 H121 I251 L252N107-E117 HydrophobicContact CB-CG 4.26Å; N107-E117 PolarHBondContact ND2-OE2 3.36Å; W113-E117 WeakPolarHBondContact O-CG 3.44Å; W113-E117 PolarHBondContact O-N 3.01Å; T114-E117 PolarHBondContact O-N 2.99Å; F115-E117 VanDerWaalsContact C-N 3.33Å; E117-H121 PolarHBondContact O-CD2 2.99Å; E117-H121 VanDerWaalsContact O-CD2 3.28Å; E117-I251 VanDerWaalsContact O-CG2 3.29Å; E117-I251 WeakPolarHBondContact O-CG2 3.44Å; E117-L252 HydrophobicContact CB-CD2 3.65Å; E117-L252 HydrophobicContact CG-CD2 4.33Å
118L98.3Very high95.7Very high0 Ų046.5 Ų46.50%028%0.278CS..Hα-helixtrans-86.5-23178.4-64.7173.6000113.1T114 F115 Q116 H121 V123 M125 V248 I251 L252 V271T114-L118 HydrophobicContact CG2-CD1 4Å; T114-L118 VanDerWaalsContact O-CG 3.25Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 2.88Å; T114-L118 VanDerWaalsContact O-N 3.13Å; F115-L118 HydrophobicContact CD1-CD1 4.48Å; F115-L118 PolarHBondContact O-N 3.25Å; Q116-L118 VanDerWaalsContact C-N 3.32Å; Q116-L118 PolarHBondContact O-N 3.36Å; L118-H121 PolarHBondContact O-N 3.1Å; L118-V123 HydrophobicContact CB-CB 4.25Å; L118-V123 HydrophobicContact CB-CG1 4.31Å; L118-V123 HydrophobicContact CD1-CG1 4.28Å; L118-V123 HydrophobicContact CD2-CG1 4.44Å; L118-V123 HydrophobicContact CD2-CG2 4.22Å; L118-M125 HydrophobicContact CB-CE 3.82Å; L118-M125 HydrophobicContact CB-SD 3.7Å; L118-M125 HydrophobicContact CD1-SD 3.96Å; L118-M125 HydrophobicContact CG-SD 4.5Å; L118-V248 HydrophobicContact CD1-CG1 4.25Å; L118-V248 HydrophobicContact CD2-CB 4.33Å; L118-V248 HydrophobicContact CD2-CG1 4.05Å; L118-V248 HydrophobicContact CD2-CG2 4.17Å; L118-I251 HydrophobicContact CD2-CB 4.1Å; L118-I251 HydrophobicContact CD2-CD1 4.07Å; L118-I251 HydrophobicContact CD2-CG2 3.95Å; L118-L252 HydrophobicContact CD2-CD1 4.35Å; L118-L252 HydrophobicContact CD2-CD2 4.31Å; L118-L252 HydrophobicContact CD2-CG 4.1Å; L118-L252 HydrophobicContact CG-CD2 4.41Å; L118-V271 HydrophobicContact CD1-CG1 4.18Å
119A96.5Very high95.8Very high58 Ų5847.7 Ų47.748%0.47928%0.281SS..THydrogen-bonded Turntrans-61.3139.7-179.400000111F115 Q116 H121F115-A119 WeakPolarHBondContact O-CB 3.32Å; F115-A119 PolarHBondContact O-N 2.87Å; Q116-A119 PolarHBondContact O-N 3.45Å; A119-H121 PolarHBondContact O-N 2.98Å
120G94.6Very high95.9Very high86 Ų8649 Ų4989%0.88729%0.291SS*.THydrogen-bonded Turntrans80.8-9.6-177.700000115.2
121H97.6Very high95.7Very high106 Ų10650.5 Ų50.549%0.49130%0.297SS..THydrogen-bonded Turntrans-92.310.2177-71.2-79000114.4E117 L118 A119 V123 Q247 I251E117-H121 PolarHBondContact O-CD2 2.99Å; E117-H121 VanDerWaalsContact O-CD2 3.28Å; L118-H121 PolarHBondContact O-N 3.1Å; A119-H121 PolarHBondContact O-N 2.98Å; H121-V123 HydrophobicContact CB-CG2 4.21Å; H121-V123 PolarHBondContact O-N 2.61Å; H121-Q247 PolarHBondContact O-NE2 2.86Å; H121-I251 HydrophobicContact CB-CD1 3.51Å; H121-I251 HydrophobicContact CB-CG1 4.38Å
122G97Very high95Very high70 Ų7050.3 Ų50.372%0.72230%0.301SS*.THydrogen-bonded Turntrans7018.4-177.400000114.1P124G122-P124 WeakPolarHBondContact O-CD 3.07Å
123V98.3Very high93.5Very high11 Ų1150.8 Ų50.87%0.06732%0.32CS..  trans-80.7118.4177.41770000109.3L118 H121 M125 L244 Q247 V248 I251 V271L118-V123 HydrophobicContact CB-CB 4.25Å; L118-V123 HydrophobicContact CB-CG1 4.31Å; L118-V123 HydrophobicContact CD1-CG1 4.28Å; L118-V123 HydrophobicContact CD2-CG1 4.44Å; L118-V123 HydrophobicContact CD2-CG2 4.22Å; H121-V123 HydrophobicContact CB-CG2 4.21Å; H121-V123 PolarHBondContact O-N 2.61Å; V123-M125 HydrophobicContact CG1-CG 4.23Å; V123-M125 PolarHBondContact O-N 3.34Å; V123-L244 HydrophobicContact CG1-CD1 4.05Å; V123-Q247 HydrophobicContact CG2-CG 4.38Å; V123-V248 HydrophobicContact CG1-CG2 3.9Å; V123-I251 HydrophobicContact CG2-CD1 3.6Å; V123-V271 HydrophobicContact CG1-CB 4.29Å; V123-V271 HydrophobicContact CG1-CG2 3.56Å
124P97.9Very high92.3Very high53 Ų5351.4 Ų51.434%0.34433%0.327SS..  trans-68.5125.8178.829.1-36.7000110.8G122 L244 F269 V270 V271G122-P124 WeakPolarHBondContact O-CD 3.07Å; P124-L244 HydrophobicContact CG-CD1 4.03Å; P124-L244 HydrophobicContact CG-CD2 4.02Å; P124-F269 VanDerWaalsContact CG-O 3.25Å; P124-F269 WeakPolarHBondContact CG-O 3.41Å; P124-V270 HydrophobicContact CB-CG1 4.14Å; P124-V270 CarbonylContact O-C 3.55Å; P124-V270 WeakPolarHBondContact O-CA 3.49Å; P124-V271 PolarHBondContact O-N 3.25Å
125M97.7Very high90.9Very high44 Ų4461.2 Ų61.222%0.21737%0.372CS..  trans-139.4148.6-179.7-66.3178.3-72.900108.8F115 L118 V123 V271F115-M125 HydrophobicContact CB-SD 3.93Å; F115-M125 HydrophobicContact CD1-CG 4.37Å; F115-M125 HydrophobicContact CD1-SD 3.4Å; F115-M125 WeakPolarHBondContact CD1-SD 3.37Å; F115-M125 HydrophobicContact CE1-CG 4.47Å; F115-M125 HydrophobicContact CE1-SD 4.05Å; F115-M125 HydrophobicContact CG-SD 3.78Å; L118-M125 HydrophobicContact CB-CE 3.82Å; L118-M125 HydrophobicContact CB-SD 3.7Å; L118-M125 HydrophobicContact CD1-SD 3.96Å; L118-M125 HydrophobicContact CG-SD 4.5Å; V123-M125 HydrophobicContact CG1-CG 4.23Å; V123-M125 PolarHBondContact O-N 3.34Å; M125-V271 HydrophobicContact CG-CB 4.21Å
126P96.9Very high89.8Confident10 Ų1063.6 Ų63.67%0.06539%0.385CS..  trans-64.7142.9170.8-1225.4000110.4T128 Q189 K190 V192 L262 V270 V271P126-T128 PolarHBondContact O-N 3.12Å; P126-T128 PolarHBondContact O-OG1 3.14Å; P126-Q189 HydrophobicContact CB-CG 3.69Å; P126-Q189 HydrophobicContact CG-CG 4.2Å; P126-K190 HydrophobicContact CB-CB 4.37Å; P126-V192 HydrophobicContact CB-CG2 4.28Å; P126-V192 HydrophobicContact CG-CG2 3.99Å; P126-L262 HydrophobicContact CG-CD1 4.22Å; P126-V270 HydrophobicContact CG-CB 4.44Å; P126-V270 HydrophobicContact CG-CG2 3.84Å; P126-V271 WeakPolarHBondContact CD-O 3.38Å
127D97.1Very high88.6Confident92 Ų9258.9 Ų58.949%0.49236%0.363SS..  trans-51.4129.9175.3-58.9-39.9000109.9L147 Q189 K190D127-L147 HydrophobicContact CB-CD2 3.65Å; D127-L147 WeakPolarHBondContact O-CD2 3.45Å; D127-Q189 WeakPolarHBondContact O-CA 3.33Å; D127-K190 HydrophobicContact CB-CB 4.12Å; D127-K190 HydrophobicContact CB-CD 4.28Å; D127-K190 PolarHBondContact O-N 2.69Å; D127-K190 WeakPolarHBondContact OD2-CD 3.4Å; D127-K190 IonicContact OD2-NZ 2.89Å; D127-K190 PolarHBondContact OD2-NZ 3.14Å
128T96.3Very high87.7Confident36 Ų3658.3 Ų58.322%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-147.4138.4-167.8-59.40000110.7F112 F115 P126 L187 F188 Q189F112-T128 HydrophobicContact CD2-CG2 4.07Å; F112-T128 HydrophobicContact CE2-CG2 4.08Å; F115-T128 HydrophobicContact CD2-CG2 3.86Å; F115-T128 HydrophobicContact CE2-CG2 3.93Å; P126-T128 PolarHBondContact O-N 3.12Å; P126-T128 PolarHBondContact O-OG1 3.14Å; T128-L187 HydrophobicContact CG2-CD1 3.67Å; T128-L187 HydrophobicContact CG2-CD2 3.59Å; T128-L187 HydrophobicContact CG2-CG 3.36Å; T128-F188 VanDerWaalsContact CA-O 3.3Å; T128-F188 WeakPolarHBondContact CA-O 3.37Å; T128-F188 WeakPolarHBondContact CG2-O 3.3Å; T128-Q189 HydrophobicContact CG2-CB 4.32Å; T128-Q189 WeakPolarHBondContact OG1-CG 3.21Å; T128-Q189 PolarHBondContact OG1-NE2 3.39Å
129F94.5Very high86.9Confident39 Ų3963.9 Ų63.917%0.17139%0.393CS..EExtended strand (participates in β ladder)trans-129165.4163.775.2-84000110.7M140 E143 A144 L147 L187 F188F129-M140 HydrophobicContact CE2-CB 4.46Å; F129-E143 WeakPolarHBondContact CE1-O 3.49Å; F129-E143 HydrophobicContact CE2-CB 3.88Å; F129-E143 HydrophobicContact CZ-CB 3.9Å; F129-A144 HydrophobicContact CE1-CB 4.01Å; F129-A144 HydrophobicContact CZ-CB 3.98Å; F129-L147 HydrophobicContact CD1-CD1 3.76Å; F129-L147 HydrophobicContact CD1-CG 4.28Å; F129-L147 HydrophobicContact CE1-CD1 3.62Å; F129-L147 HydrophobicContact CE1-CG 4.28Å; F129-L187 WeakPolarHBondContact O-CA 3.38Å; F129-F188 HydrophobicContact CD1-CB 3.77Å; F129-F188 HydrophobicContact CD2-CB 4.49Å; F129-F188 HydrophobicContact CD2-CD2 4.15Å; F129-F188 HydrophobicContact CE1-CB 3.25Å; F129-F188 HydrophobicContact CE1-CD2 4.29Å; F129-F188 AromaticContact CE1-CG 3.88Å; F129-F188 HydrophobicContact CE1-CG 3.88Å; F129-F188 HydrophobicContact CE2-CB 4.07Å; F129-F188 AromaticContact CE2-CD2 3.52Å; F129-F188 HydrophobicContact CE2-CD2 3.52Å; F129-F188 HydrophobicContact CE2-CE2 4.22Å; F129-F188 AromaticContact CE2-CG 3.93Å; F129-F188 HydrophobicContact CE2-CG 3.93Å; F129-F188 HydrophobicContact CG-CB 4.36Å; F129-F188 HydrophobicContact CZ-CB 3.43Å; F129-F188 VanDerWaalsContact CZ-CB 3.43Å; F129-F188 HydrophobicContact CZ-CD1 4.23Å; F129-F188 AromaticContact CZ-CD2 3.6Å; F129-F188 HydrophobicContact CZ-CD2 3.6Å; F129-F188 HydrophobicContact CZ-CE2 4.46Å; F129-F188 AromaticContact CZ-CG 3.48Å; F129-F188 HydrophobicContact CZ-CG 3.48Å; F129-F188 VanDerWaalsContact CZ-CG 3.48Å; F129-F188 PolarHBondContact N-O 3.13Å; F129-F188 PolarHBondContact O-N 2.73Å
130S91.9Very high86.4Confident39 Ų3961.1 Ų61.127%0.27337%0.37SS..EExtended strand (participates in β ladder)trans-127.5142.2175.9-174.90000110.5Y186S130-Y186 CarbonylContact C-O 3.57Å; S130-Y186 WeakPolarHBondContact CA-O 3.28Å; S130-Y186 WeakPolarHBondContact CB-O 3.41Å; S130-Y186 PolarHBondContact OG-O 2.83Å
131Y86Confident86.1Confident42 Ų4257.9 Ų57.917%0.16533%0.332CS..EExtended strand (participates in β ladder)trans-147.8142.4178.6-166.5-84.7000110.2H134 D136 F137 M140 Y186Y131-H134 HydrophobicContact CE1-CB 4.02Å; Y131-H134 AromaticContact CE2-CD2 3.97Å; Y131-H134 AromaticContact CZ-CD2 3.78Å; Y131-D136 PolarHBondContact OH-O 3.09Å; Y131-F137 HydrophobicContact CD1-CD2 4.4Å; Y131-M140 HydrophobicContact CD1-CB 4.14Å; Y131-M140 HydrophobicContact CD1-CE 3.27Å; Y131-M140 HydrophobicContact CE1-CE 3.98Å; Y131-M140 HydrophobicContact CG-CB 4.15Å; Y131-M140 HydrophobicContact CG-CE 3.99Å; Y131-Y186 PolarHBondContact N-O 3.14Å; Y131-Y186 PolarHBondContact O-N 3.37Å
132G76.6Confident85.7Confident18 Ų1857.1 Ų57.119%0.18633%0.331CS..  trans162.9169.3167.700000112.8H134G132-H134 VanDerWaalsContact C-N 3.31Å
133G64Low85.3Confident58 Ų5859.5 Ų59.560%0.59832%0.324SS*.SBendtrans76.814.6-17400000114.6H182G133-H182 PolarHBondContact N-O 3.23Å
134H68.3Low85.1Confident111 Ų11159 Ų5951%0.51432%0.321SS..SBendtrans-114145.9177.3-63.3-62.6000110.8Y131 G132 D136Y131-H134 HydrophobicContact CE1-CB 4.02Å; Y131-H134 AromaticContact CE2-CD2 3.97Å; Y131-H134 AromaticContact CZ-CD2 3.78Å; G132-H134 VanDerWaalsContact C-N 3.31Å; H134-D136 PolarHBondContact O-N 3.46Å
135E66.3Low84.8Confident208 Ų20861.1 Ų61.197%0.97233%0.326SS*.SBendtrans-62.2-31.7179.6-64.1-178.1165.800112.5F137E135-F137 PolarHBondContact O-N 2.87Å
136D74.3Confident84.7Confident63 Ų6364.4 Ų64.434%0.33735%0.351SS..  trans-101.775.4179.3-168.6-2000111.1Y131 H134 S138 K139Y131-D136 PolarHBondContact OH-O 3.09Å; H134-D136 PolarHBondContact O-N 3.46Å; D136-S138 PolarHBondContact O-N 3.24Å; D136-S138 WeakPolarHBondContact OD1-CB 3.4Å; D136-S138 PolarHBondContact OD1-N 3.11Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; D136-K139 HydrophobicContact CB-CD 4.29Å; D136-K139 WeakPolarHBondContact OD2-CD 3.44Å; D136-K139 WeakPolarHBondContact OD2-CE 3.27Å; D136-K139 WeakPolarHBondContact OD2-CG 3.37Å; D136-K139 IonicContact OD2-NZ 3.66Å
137F73.5Confident84.6Confident10 Ų1064.9 Ų64.94%0.04435%0.352CS..THydrogen-bonded Turntrans-65.4-23.8175.9-159.2-101.6000111.7Y131 E135 K139 M140 C177 I180 H182 Y186Y131-F137 HydrophobicContact CD1-CD2 4.4Å; E135-F137 PolarHBondContact O-N 2.87Å; F137-K139 VanDerWaalsContact C-N 3.27Å; F137-K139 PolarHBondContact O-N 2.79Å; F137-M140 HydrophobicContact CB-CE 4.37Å; F137-M140 HydrophobicContact CD1-CE 3.33Å; F137-M140 HydrophobicContact CD1-CG 4.5Å; F137-M140 HydrophobicContact CD1-SD 3.06Å; F137-M140 WeakPolarHBondContact CD1-SD 3.43Å; F137-M140 HydrophobicContact CD2-CE 3.22Å; F137-M140 HydrophobicContact CD2-SD 4.17Å; F137-M140 HydrophobicContact CE1-CE 3.3Å; F137-M140 HydrophobicContact CE1-SD 3Å; F137-M140 WeakPolarHBondContact CE1-SD 3.49Å; F137-M140 HydrophobicContact CE2-CE 3.19Å; F137-M140 HydrophobicContact CE2-SD 4.12Å; F137-M140 HydrophobicContact CG-CE 3.31Å; F137-M140 HydrophobicContact CG-SD 3.69Å; F137-M140 HydrophobicContact CZ-CE 3.22Å; F137-M140 HydrophobicContact CZ-SD 3.57Å; F137-M140 VanDerWaalsContact CZ-SD 3.57Å; F137-M140 WeakPolarHBondContact O-CB 3.25Å; F137-M140 WeakPolarHBondContact O-CE 3.4Å; F137-M140 WeakPolarHBondContact O-CG 3.38Å; F137-M140 PolarHBondContact O-N 3.01Å; F137-C177 HydrophobicContact CD1-CB 3.95Å; F137-C177 HydrophobicContact CE1-CB 3.95Å; F137-I180 HydrophobicContact CE1-CD1 3.64Å; F137-I180 HydrophobicContact CE1-CG1 3.86Å; F137-I180 HydrophobicContact CZ-CD1 3.49Å; F137-I180 VanDerWaalsContact CZ-CD1 3.49Å; F137-I180 HydrophobicContact CZ-CG1 3.84Å; F137-H182 WeakPolarHBondContact CB-ND1 3.21Å; F137-H182 AromaticContact CD1-CE1 3.16Å; F137-H182 WeakPolarHBondContact CD1-CE1 3.31Å; F137-H182 AromaticContact CD1-ND1 3.13Å; F137-H182 WeakPolarHBondContact CD1-ND1 3.28Å; F137-H182 HydrophobicContact CD2-CB 4.14Å; F137-H182 AromaticContact CD2-CG 3.94Å; F137-H182 AromaticContact CD2-ND1 3.11Å; F137-H182 WeakPolarHBondContact CD2-ND1 3.28Å; F137-H182 AromaticContact CE1-CE1 3.53Å; F137-H182 AromaticContact CE1-ND1 3.41Å; F137-H182 WeakPolarHBondContact CE1-ND1 3.46Å; F137-H182 AromaticContact CE2-ND1 3.39Å; F137-H182 WeakPolarHBondContact CE2-ND1 3.31Å; F137-H182 AromaticContact CG-CE1 3.42Å; F137-H182 VanDerWaalsContact CG-CE1 3.42Å; F137-H182 WeakPolarHBondContact CG-CE1 3.39Å; F137-H182 AromaticContact CG-CG 3.96Å; F137-H182 AromaticContact CG-ND1 2.96Å; F137-H182 WeakPolarHBondContact CG-ND1 3.09Å; F137-H182 AromaticContact CZ-ND1 3.54Å; F137-Y186 HydrophobicContact CE2-CD2 4.19Å; F137-Y186 AromaticContact CZ-CD2 3.99Å; F137-Y186 HydrophobicContact CZ-CD2 3.99Å; F137-Y186 HydrophobicContact CZ-CE2 4.42Å
138S78.3Confident84.5Confident71 Ų7162 Ų6250%0.49735%0.345SS..THydrogen-bonded Turntrans-62.7-30.7-17678.40000113.5D136 M140 I141D136-S138 PolarHBondContact O-N 3.24Å; D136-S138 WeakPolarHBondContact OD1-CB 3.4Å; D136-S138 PolarHBondContact OD1-N 3.11Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; S138-M140 PolarHBondContact O-N 3.21Å; S138-M140 VanDerWaalsContact O-N 3.11Å; S138-I141 VanDerWaalsContact O-CB 3.3Å; S138-I141 WeakPolarHBondContact O-CB 3.36Å; S138-I141 VanDerWaalsContact O-CG1 3.31Å; S138-I141 WeakPolarHBondContact O-CG1 3.17Å; S138-I141 PolarHBondContact O-N 2.92Å
139K82.3Confident84.5Confident116 Ų11663.8 Ų63.850%0.50435%0.348SS..Hα-helixtrans-53.1-33.2176.3-77.2176.9173.7170.60114.1D136 F137 I141 D142 E143D136-K139 HydrophobicContact CB-CD 4.29Å; D136-K139 WeakPolarHBondContact OD2-CD 3.44Å; D136-K139 WeakPolarHBondContact OD2-CE 3.27Å; D136-K139 WeakPolarHBondContact OD2-CG 3.37Å; D136-K139 IonicContact OD2-NZ 3.66Å; F137-K139 VanDerWaalsContact C-N 3.27Å; F137-K139 PolarHBondContact O-N 2.79Å; K139-I141 PolarHBondContact O-N 2.94Å; K139-I141 VanDerWaalsContact O-N 3.15Å; K139-D142 PolarHBondContact O-N 3.17Å; K139-E143 WeakPolarHBondContact O-CG 3.37Å; K139-E143 PolarHBondContact O-N 3.23Å; K139-E143 VanDerWaalsContact O-N 3.14Å
140M85.3Confident84.6Confident0 Ų063.9 Ų63.90%035%0.353CS..Hα-helixtrans-62.7-23.6-179.678.1-16612.600113.6F129 Y131 F137 S138 D142 E143 A144 F188F129-M140 HydrophobicContact CE2-CB 4.46Å; Y131-M140 HydrophobicContact CD1-CB 4.14Å; Y131-M140 HydrophobicContact CD1-CE 3.27Å; Y131-M140 HydrophobicContact CE1-CE 3.98Å; Y131-M140 HydrophobicContact CG-CB 4.15Å; Y131-M140 HydrophobicContact CG-CE 3.99Å; F137-M140 HydrophobicContact CB-CE 4.37Å; F137-M140 HydrophobicContact CD1-CE 3.33Å; F137-M140 HydrophobicContact CD1-CG 4.5Å; F137-M140 HydrophobicContact CD1-SD 3.06Å; F137-M140 WeakPolarHBondContact CD1-SD 3.43Å; F137-M140 HydrophobicContact CD2-CE 3.22Å; F137-M140 HydrophobicContact CD2-SD 4.17Å; F137-M140 HydrophobicContact CE1-CE 3.3Å; F137-M140 HydrophobicContact CE1-SD 3Å; F137-M140 WeakPolarHBondContact CE1-SD 3.49Å; F137-M140 HydrophobicContact CE2-CE 3.19Å; F137-M140 HydrophobicContact CE2-SD 4.12Å; F137-M140 HydrophobicContact CG-CE 3.31Å; F137-M140 HydrophobicContact CG-SD 3.69Å; F137-M140 HydrophobicContact CZ-CE 3.22Å; F137-M140 HydrophobicContact CZ-SD 3.57Å; F137-M140 VanDerWaalsContact CZ-SD 3.57Å; F137-M140 WeakPolarHBondContact O-CB 3.25Å; F137-M140 WeakPolarHBondContact O-CE 3.4Å; F137-M140 WeakPolarHBondContact O-CG 3.38Å; F137-M140 PolarHBondContact O-N 3.01Å; S138-M140 PolarHBondContact O-N 3.21Å; S138-M140 VanDerWaalsContact O-N 3.11Å; M140-D142 VanDerWaalsContact C-N 3.28Å; M140-E143 PolarHBondContact O-N 3.49Å; M140-A144 WeakPolarHBondContact O-CB 3.3Å; M140-A144 PolarHBondContact O-N 2.92Å; M140-F188 HydrophobicContact CB-CE2 4.41Å; M140-F188 HydrophobicContact CB-CZ 4.32Å; M140-F188 HydrophobicContact CE-CE2 3.89Å; M140-F188 HydrophobicContact CE-CZ 3.65Å; M140-F188 HydrophobicContact CG-CE1 4.41Å; M140-F188 HydrophobicContact CG-CZ 4.04Å; M140-F188 HydrophobicContact SD-CE1 4.1Å; M140-F188 HydrophobicContact SD-CE2 4.23Å; M140-F188 HydrophobicContact SD-CZ 3.45Å; M140-F188 WeakPolarHBondContact SD-CZ 3.44Å
141I87.6Confident84.9Confident18 Ų1862 Ų629%0.09234%0.34CS..Hα-helixtrans-66.8-42.2-177.5-59.5174.7000107.7S138 K139 A144 K170 L173S138-I141 VanDerWaalsContact O-CB 3.3Å; S138-I141 WeakPolarHBondContact O-CB 3.36Å; S138-I141 VanDerWaalsContact O-CG1 3.31Å; S138-I141 WeakPolarHBondContact O-CG1 3.17Å; S138-I141 PolarHBondContact O-N 2.92Å; K139-I141 PolarHBondContact O-N 2.94Å; K139-I141 VanDerWaalsContact O-N 3.15Å; I141-A144 PolarHBondContact O-N 3.05Å; I141-K170 HydrophobicContact CG2-CD 4.19Å; I141-K170 HydrophobicContact CG2-CG 3.54Å; I141-L173 HydrophobicContact CB-CD2 4.41Å; I141-L173 HydrophobicContact CG1-CD2 4.49Å; I141-L173 HydrophobicContact CG1-CG 4.41Å; I141-L173 HydrophobicContact CG2-CD2 4.17Å
142D88.8Confident85.3Confident90 Ų9060.3 Ų60.348%0.48133%0.334SS..Hα-helixtrans-71.6-41175.4-61.1-30.8000111K139 M140 A144 E145 K170K139-D142 PolarHBondContact O-N 3.17Å; M140-D142 VanDerWaalsContact C-N 3.28Å; D142-A144 PolarHBondContact O-N 3.32Å; D142-A144 VanDerWaalsContact O-N 3.14Å; D142-E145 WeakPolarHBondContact O-CB 3.22Å; D142-E145 PolarHBondContact O-N 3.37Å; D142-K170 WeakPolarHBondContact OD1-CE 3.44Å; D142-K170 IonicContact OD1-NZ 3.31Å; D142-K170 PolarHBondContact OD1-NZ 2.83Å
143E90.3Very high86.2Confident120 Ų12059.5 Ų59.556%0.56133%0.325SS*.Hα-helixtrans-62.3-20.1174.4-62.6-68.3173.300113.3F129 K139 M140 P146F129-E143 WeakPolarHBondContact CE1-O 3.49Å; F129-E143 HydrophobicContact CE2-CB 3.88Å; F129-E143 HydrophobicContact CZ-CB 3.9Å; K139-E143 WeakPolarHBondContact O-CG 3.37Å; K139-E143 PolarHBondContact O-N 3.23Å; K139-E143 VanDerWaalsContact O-N 3.14Å; M140-E143 PolarHBondContact O-N 3.49Å; E143-P146 WeakPolarHBondContact O-CD 3.44Å
144A92.7Very high87.5Confident0 Ų057.4 Ų57.40%030%0.3CS..THydrogen-bonded Turntrans-82.4-17.1175.600000113.9F129 M140 I141 D142 L147 L173F129-A144 HydrophobicContact CE1-CB 4.01Å; F129-A144 HydrophobicContact CZ-CB 3.98Å; M140-A144 WeakPolarHBondContact O-CB 3.3Å; M140-A144 PolarHBondContact O-N 2.92Å; I141-A144 PolarHBondContact O-N 3.05Å; D142-A144 PolarHBondContact O-N 3.32Å; D142-A144 VanDerWaalsContact O-N 3.14Å; A144-L147 WeakPolarHBondContact O-CB 3.33Å; A144-L147 PolarHBondContact O-N 3.26Å; A144-L147 VanDerWaalsContact O-N 3.15Å; A144-L173 HydrophobicContact CB-CD2 3.62Å
145E91.9Very high88.5Confident99 Ų9953 Ų5346%0.46328%0.281SS..G310 helixtrans-57.3-43-178.4-67.6-171.6165.600113.6D142 L147 G148 K170D142-E145 WeakPolarHBondContact O-CB 3.22Å; D142-E145 PolarHBondContact O-N 3.37Å; E145-L147 PolarHBondContact O-N 2.71Å; E145-G148 PolarHBondContact O-N 3.08Å; E145-K170 IonicContact OE1-NZ 3.39Å; E145-K170 PolarHBondContact OE1-NZ 3Å
146P95.3Very high89.6Confident113 Ų11343.2 Ų43.273%0.73424%0.236SC*.G310 helixtrans-62.2-23178.8-24.335.7000114.6E143 G148E143-P146 WeakPolarHBondContact O-CD 3.44Å; P146-G148 PolarHBondContact O-N 3.23Å
147L95.9Very high90.1Very high19 Ų1945.6 Ų45.610%0.09924%0.24CC..G310 helixtrans-70.1-23.6175.6-62.8-178.7000112.2D127 F129 A144 E145 V151 F188 K190D127-L147 HydrophobicContact CB-CD2 3.65Å; D127-L147 WeakPolarHBondContact O-CD2 3.45Å; F129-L147 HydrophobicContact CD1-CD1 3.76Å; F129-L147 HydrophobicContact CD1-CG 4.28Å; F129-L147 HydrophobicContact CE1-CD1 3.62Å; F129-L147 HydrophobicContact CE1-CG 4.28Å; A144-L147 WeakPolarHBondContact O-CB 3.33Å; A144-L147 PolarHBondContact O-N 3.26Å; A144-L147 VanDerWaalsContact O-N 3.15Å; E145-L147 PolarHBondContact O-N 2.71Å; L147-V151 HydrophobicContact CB-CG2 4.05Å; L147-V151 HydrophobicContact CD1-CG1 4.08Å; L147-V151 HydrophobicContact CD1-CG2 4.5Å; L147-F188 HydrophobicContact CD1-CB 4.11Å; L147-K190 HydrophobicContact CD2-CB 4.42Å
148G95.6Very high90.2Very high33 Ų3346.5 Ų46.534%0.3425%0.252SS..  trans73.6146.5-171.400000112.6E145 P146 P150 V151E145-G148 PolarHBondContact O-N 3.08Å; P146-G148 PolarHBondContact O-N 3.23Å; G148-P150 CarbonylContact O-C 3.52Å; G148-V151 WeakPolarHBondContact O-CG2 3.41Å
149Y95.9Very high89.6Confident73 Ų7346.7 Ų46.729%0.28625%0.245SC..SBendtrans-87.6146176.3-67.7-78.7000111.9V151 R168 D169 K170 L173Y149-V151 HydrophobicContact CD1-CB 4.41Å; Y149-V151 HydrophobicContact CD1-CG2 3.98Å; Y149-V151 HydrophobicContact CE1-CG2 4.12Å; Y149-R168 WeakPolarHBondContact CB-O 3.44Å; Y149-D169 VanDerWaalsContact CD1-C 3.44Å; Y149-D169 VanDerWaalsContact CD1-CA 3.45Å; Y149-D169 WeakPolarHBondContact CE1-O 3.33Å; Y149-K170 HydrophobicContact CE2-CB 3.99Å; Y149-K170 WeakPolarHBondContact OH-CA 3.45Å; Y149-L173 HydrophobicContact CE1-CB 4.26Å; Y149-L173 HydrophobicContact CE1-CD2 4.14Å
150P96.7Very high88.6Confident40 Ų4047.9 Ų47.926%0.2625%0.246SC..SBendcis-761551.835.5-40000113.1G148 L166 A167 Y191G148-P150 CarbonylContact O-C 3.52Å; P150-L166 HydrophobicContact CB-CD1 3.81Å; P150-L166 HydrophobicContact CB-CG 4.16Å; P150-L166 HydrophobicContact CG-CD1 4.21Å; P150-A167 CarbonylContact C-O 3.54Å; P150-A167 WeakPolarHBondContact CA-O 3.32Å; P150-A167 VanDerWaalsContact CB-O 3.29Å; P150-A167 WeakPolarHBondContact CB-O 3.41Å; P150-Y191 HydrophobicContact CB-CD1 4.47Å; P150-Y191 HydrophobicContact CG-CD1 3.24Å; P150-Y191 HydrophobicContact CG-CE1 3.7Å; P150-Y191 HydrophobicContact CG-CG 3.75Å; P150-Y191 WeakPolarHBondContact O-CB 3.33Å
151V96.8Very high87.2Confident0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-115.8138.9179.6172.20000110.5L147 G148 Y149 A167 F188L147-V151 HydrophobicContact CB-CG2 4.05Å; L147-V151 HydrophobicContact CD1-CG1 4.08Å; L147-V151 HydrophobicContact CD1-CG2 4.5Å; G148-V151 WeakPolarHBondContact O-CG2 3.41Å; Y149-V151 HydrophobicContact CD1-CB 4.41Å; Y149-V151 HydrophobicContact CD1-CG2 3.98Å; Y149-V151 HydrophobicContact CE1-CG2 4.12Å; V151-A167 PolarHBondContact N-O 3.24Å; V151-A167 PolarHBondContact O-N 3.12Å; V151-F188 HydrophobicContact CG1-CB 4.25Å; V151-F188 HydrophobicContact CG1-CD1 4.44Å
152V96Very high86.3Confident7 Ų754.9 Ų54.94%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-89126.5173.7-1760000109.9K154 V164 F165 L166 F188 Q189 Y191 M222V152-K154 HydrophobicContact CG1-CD 4.22Å; V152-K154 HydrophobicContact CG1-CG 3.78Å; V152-V164 HydrophobicContact CG1-CG1 4.08Å; V152-F165 WeakPolarHBondContact CA-O 3.19Å; V152-L166 HydrophobicContact CG2-CD1 4.06Å; V152-F188 CarbonylContact O-C 3.45Å; V152-F188 WeakPolarHBondContact O-CA 3.32Å; V152-Q189 HydrophobicContact CB-CB 4.36Å; V152-Q189 PolarHBondContact N-O 2.87Å; V152-Q189 PolarHBondContact O-N 3.24Å; V152-Y191 HydrophobicContact CG2-CD2 3.77Å; V152-Y191 HydrophobicContact CG2-CG 4.4Å; V152-M222 HydrophobicContact CG1-CE 3.76Å; V152-M222 HydrophobicContact CG2-CE 4.13Å; V152-M222 HydrophobicContact CG2-SD 3.77Å
153V93.9Very high85.8Confident0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-110.3122.4176-172.60000108.9V164 F165 L173 I180 Y186 L187 F188V153-V164 CarbonylContact O-C 3.53Å; V153-V164 VanDerWaalsContact O-CA 3.31Å; V153-V164 WeakPolarHBondContact O-CA 3.42Å; V153-F165 HydrophobicContact CB-CB 4.34Å; V153-F165 PolarHBondContact N-O 3.19Å; V153-F165 PolarHBondContact O-N 3.02Å; V153-L173 HydrophobicContact CG2-CD1 3.63Å; V153-I180 HydrophobicContact CG1-CD1 4.42Å; V153-Y186 HydrophobicContact CG1-CD1 4.01Å; V153-L187 CarbonylContact C-O 3.58Å; V153-F188 HydrophobicContact CB-CD1 4.44Å; V153-F188 HydrophobicContact CB-CE1 4.36Å; V153-F188 HydrophobicContact CG1-CD1 4.18Å; V153-F188 HydrophobicContact CG1-CE1 3.72Å; V153-F188 HydrophobicContact CG1-CZ 4.15Å; V153-F188 HydrophobicContact CG2-CD1 3.8Å; V153-F188 HydrophobicContact CG2-CE1 3.82Å
154K92.1Very high85.7Confident15 Ų1547.9 Ų47.97%0.06525%0.253CS..EExtended strand (participates in β ladder)trans-127.7139.1-178.4-49.9-174.1-170.9168.10110.4K111 V152 T156 A163 V164 Y186 L187K111-K154 HydrophobicContact CD-CD 4.47Å; V152-K154 HydrophobicContact CG1-CD 4.22Å; V152-K154 HydrophobicContact CG1-CG 3.78Å; K154-T156 PolarHBondContact O-N 3.06Å; K154-A163 WeakPolarHBondContact CA-O 3.46Å; K154-V164 HydrophobicContact CB-CG2 4.4Å; K154-V164 HydrophobicContact CG-CG1 4.15Å; K154-V164 HydrophobicContact CG-CG2 4.17Å; K154-Y186 CarbonylContact O-C 3.6Å; K154-Y186 WeakPolarHBondContact O-CA 3.36Å; K154-L187 HydrophobicContact CB-CB 4.48Å; K154-L187 HydrophobicContact CB-CD2 4.35Å; K154-L187 HydrophobicContact CD-CD2 4.17Å; K154-L187 HydrophobicContact CG-CD2 4.29Å; K154-L187 PolarHBondContact N-O 2.81Å; K154-L187 PolarHBondContact O-N 2.85Å
155S90Very high85.6Confident19 Ų1951.6 Ų51.613%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-63.2131.2160.7177.60000109.8K111 R157 A163K111-S155 PolarHBondContact NZ-O 3.42Å; S155-R157 VanDerWaalsContact C-N 3.28Å; S155-R157 WeakPolarHBondContact CB-O 3.39Å; S155-R157 PolarHBondContact O-N 3.39Å; S155-R157 PolarHBondContact OG-O 2.96Å; S155-A163 PolarHBondContact N-O 2.96Å
156T87.9Confident85.8Confident2 Ų249.1 Ų49.11%0.01226%0.259CS..SBendtrans-59.5-39.5179.350.70000112.1N110 K111 F112 K154 P185 L187N110-T156 WeakPolarHBondContact OD1-CB 3.46Å; K111-T156 PolarHBondContact N-O 3.39Å; F112-T156 HydrophobicContact CB-CG2 4.41Å; K154-T156 PolarHBondContact O-N 3.06Å; T156-P185 WeakPolarHBondContact CB-O 3.49Å; T156-P185 HydrophobicContact CG2-CB 4.02Å; T156-P185 HydrophobicContact CG2-CG 4.41Å; T156-P185 VanDerWaalsContact CG2-O 3.32Å; T156-P185 WeakPolarHBondContact CG2-O 3.47Å; T156-P185 PolarHBondContact N-O 2.95Å; T156-P185 WeakPolarHBondContact OG1-CG 3.12Å; T156-P185 PolarHBondContact OG1-O 2.71Å; T156-L187 HydrophobicContact CG2-CB 4.17Å
157R85.8Confident85.8Confident113 Ų11343.7 Ų43.743%0.42622%0.224SC..SBendtrans-104.3145.5173.2-64.9-173.9178.4-174.4-0.3110.9S155S155-R157 VanDerWaalsContact C-N 3.28Å; S155-R157 WeakPolarHBondContact CB-O 3.39Å; S155-R157 PolarHBondContact O-N 3.39Å; S155-R157 PolarHBondContact OG-O 2.96Å
158G75.3Confident85.8Confident29 Ų2951.1 Ų51.130%0.29925%0.251SS..  trans125.2169.2-179.300000112.8K111K111-G158 PolarHBondContact NZ-O 2.76Å
159H66.6Low85.8Confident74 Ų7452.3 Ų52.334%0.34325%0.249SC..  trans-145.4169.4-171.969-56.4000111.2P77 G161P77-H159 HydrophobicContact CB-CB 4.17Å; P77-H159 HydrophobicContact CG-CB 3.94Å; P77-H159 VanDerWaalsContact CG-ND1 3.26Å; P77-H159 WeakPolarHBondContact CG-ND1 3.35Å; H159-G161 VanDerWaalsContact C-N 3.3Å; H159-G161 PolarHBondContact O-N 2.8Å
160R59.6Low85.8Confident141 Ų14152.4 Ų52.453%0.53225%0.251SS..THydrogen-bonded Turntrans63.228.1176-61.6173.9-176.2-166.15.6114.6K162 S227R160-K162 PolarHBondContact O-N 3.3Å; R160-S227 WeakPolarHBondContact CB-OG 3.46Å
161G57.3Low85.6Confident16 Ų1657.6 Ų57.617%0.16527%0.272CS..THydrogen-bonded Turntrans69.610.3177.400000115.2H159 N225H159-G161 VanDerWaalsContact C-N 3.3Å; H159-G161 PolarHBondContact O-N 2.8Å; G161-N225 PolarHBondContact N-ND2 3.37Å
162K67.1Low85.5Confident150 Ų15061 Ų6165%0.65229%0.288SS*.THydrogen-bonded Turntrans-67.1135.2170.9-64.2-175.6176.6-174.10109.1R160R160-K162 PolarHBondContact O-N 3.3Å
163A79.9Confident85.4Confident39 Ų3960.7 Ų60.732%0.32229%0.286SS..THydrogen-bonded Turntrans5847.8-176.300000114.3K154 S155 F165K154-A163 WeakPolarHBondContact CA-O 3.46Å; S155-A163 PolarHBondContact N-O 2.96Å; A163-F165 HydrophobicContact CB-CE2 4.16Å
164V87.6Confident85.3Confident24 Ų2462.5 Ų62.515%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-117.9122.5167178.10000108V152 V153 K154 M222 Q223V152-V164 HydrophobicContact CG1-CG1 4.08Å; V153-V164 CarbonylContact O-C 3.53Å; V153-V164 VanDerWaalsContact O-CA 3.31Å; V153-V164 WeakPolarHBondContact O-CA 3.42Å; K154-V164 HydrophobicContact CB-CG2 4.4Å; K154-V164 HydrophobicContact CG-CG1 4.15Å; K154-V164 HydrophobicContact CG-CG2 4.17Å; V164-M222 HydrophobicContact CG1-CE 3.56Å; V164-Q223 HydrophobicContact CB-CG 4.34Å; V164-Q223 HydrophobicContact CG1-CG 4.27Å; V164-Q223 PolarHBondContact O-NE2 3.46Å
165F91.5Very high85.3Confident77 Ų7766.2 Ų66.234%0.33832%0.319SS..EExtended strand (participates in β ladder)trans-125.4155.1-176.7-49.7-84.3000110.4V152 V153 A163 I176 I180V152-F165 WeakPolarHBondContact CA-O 3.19Å; V153-F165 HydrophobicContact CB-CB 4.34Å; V153-F165 PolarHBondContact N-O 3.19Å; V153-F165 PolarHBondContact O-N 3.02Å; A163-F165 HydrophobicContact CB-CE2 4.16Å; F165-I176 HydrophobicContact CB-CD1 3.85Å; F165-I176 HydrophobicContact CB-CG1 4.43Å; F165-I176 HydrophobicContact CB-CG2 4.37Å; F165-I176 HydrophobicContact CD2-CG2 4.18Å; F165-I176 HydrophobicContact CG-CG2 4.25Å; F165-I180 HydrophobicContact CD2-CG2 4.39Å; F165-I180 HydrophobicContact CE2-CG2 3.72Å; F165-I180 HydrophobicContact CZ-CG2 4.15Å
166L94.6Very high85.4Confident47 Ų4766.4 Ų66.425%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-116.7105.9172.3-176.866.8000107.9P150 V152 Y191 M222P150-L166 HydrophobicContact CB-CD1 3.81Å; P150-L166 HydrophobicContact CB-CG 4.16Å; P150-L166 HydrophobicContact CG-CD1 4.21Å; V152-L166 HydrophobicContact CG2-CD1 4.06Å; L166-Y191 HydrophobicContact CD1-CD2 3.51Å; L166-Y191 HydrophobicContact CD1-CE2 3.86Å; L166-Y191 HydrophobicContact CD1-CG 3.91Å; L166-Y191 HydrophobicContact CD2-CE2 4.16Å; L166-M222 HydrophobicContact CB-SD 4.35Å; L166-M222 HydrophobicContact CD1-SD 3.98Å; L166-M222 HydrophobicContact CD2-SD 4.47Å
167A95.4Very high85.3Confident0 Ų066.7 Ų66.70%032%0.32CS..EExtended strand (participates in β ladder)trans-81.7114.4173.800000108.8P150 V151 D169 L173 I176P150-A167 CarbonylContact C-O 3.54Å; P150-A167 WeakPolarHBondContact CA-O 3.32Å; P150-A167 VanDerWaalsContact CB-O 3.29Å; P150-A167 WeakPolarHBondContact CB-O 3.41Å; V151-A167 PolarHBondContact N-O 3.24Å; V151-A167 PolarHBondContact O-N 3.12Å; A167-D169 VanDerWaalsContact C-N 3.32Å; A167-L173 HydrophobicContact CB-CB 3.77Å; A167-L173 HydrophobicContact CB-CD1 3.84Å; A167-L173 HydrophobicContact CB-CG 4.38Å; A167-I176 HydrophobicContact CB-CD1 3.87Å
168R95.6Very high85.4Confident175 Ų17568.3 Ų68.366%0.6633%0.332SS*.  trans-76.4-23.9-173.6-55.5177.8-176.7157.5-0.9113.4Y149Y149-R168 WeakPolarHBondContact CB-O 3.44Å
169D96Very high86Confident57 Ų5774 Ų7431%0.30536%0.355SS..SBendtrans-160.3178.6-177.253.863.7000109Y149 A167 H171 H172 L173Y149-D169 VanDerWaalsContact CD1-C 3.44Å; Y149-D169 VanDerWaalsContact CD1-CA 3.45Å; Y149-D169 WeakPolarHBondContact CE1-O 3.33Å; A167-D169 VanDerWaalsContact C-N 3.32Å; D169-H171 VanDerWaalsContact C-N 3.32Å; D169-H171 PolarHBondContact O-N 2.84Å; D169-H171 WeakPolarHBondContact OD1-CA 3.3Å; D169-H171 WeakPolarHBondContact OD1-CB 3.3Å; D169-H171 PolarHBondContact OD1-N 2.83Å; D169-H172 PolarHBondContact O-N 3.3Å; D169-H172 IonicContact OD1-CG 3.81Å; D169-H172 PolarHBondContact OD1-N 3.45Å; D169-H172 IonicContact OD1-ND1 2.65Å; D169-H172 PolarHBondContact OD1-ND1 3.32Å; D169-H172 IonicContact OD2-CE1 3.9Å; D169-H172 PolarHBondContact OD2-CE1 3.44Å; D169-H172 IonicContact OD2-CG 2.69Å; D169-H172 IonicContact OD2-ND1 3.14Å; D169-H172 PolarHBondContact OD2-ND1 2.96Å; D169-L173 PolarHBondContact O-N 3.05Å
170K95.2Very high86.9Confident75 Ų7571.1 Ų71.133%0.32634%0.342SS..Hα-helixtrans-61.1-36.8-179.5-169.4170.8-175.8164.70113.3I141 D142 E145 Y149 L173 S174I141-K170 HydrophobicContact CG2-CD 4.19Å; I141-K170 HydrophobicContact CG2-CG 3.54Å; D142-K170 WeakPolarHBondContact OD1-CE 3.44Å; D142-K170 IonicContact OD1-NZ 3.31Å; D142-K170 PolarHBondContact OD1-NZ 2.83Å; E145-K170 IonicContact OE1-NZ 3.39Å; E145-K170 PolarHBondContact OE1-NZ 3Å; Y149-K170 HydrophobicContact CE2-CB 3.99Å; Y149-K170 WeakPolarHBondContact OH-CA 3.45Å; K170-L173 PolarHBondContact O-N 2.73Å; K170-S174 PolarHBondContact O-N 3.14Å
171H93.9Very high88.1Confident149 Ų14971.2 Ų71.269%0.6934%0.342SS*.Hα-helixtrans-69.9-46.5179.7-65.3-71000111D169 L173 S174 D175D169-H171 VanDerWaalsContact C-N 3.32Å; D169-H171 PolarHBondContact O-N 2.84Å; D169-H171 WeakPolarHBondContact OD1-CA 3.3Å; D169-H171 WeakPolarHBondContact OD1-CB 3.3Å; D169-H171 PolarHBondContact OD1-N 2.83Å; H171-L173 VanDerWaalsContact C-N 3.25Å; H171-L173 PolarHBondContact O-N 3.04Å; H171-S174 WeakPolarHBondContact O-CA 3.41Å; H171-S174 WeakPolarHBondContact O-CB 3.19Å; H171-S174 PolarHBondContact O-N 3.22Å; H171-S174 VanDerWaalsContact O-N 3.09Å; H171-D175 PolarHBondContact O-N 3.14Å
172H94.7Very high89.3Confident73 Ų7374.4 Ų74.434%0.33835%0.353SS..Hα-helixtrans-59.8-36.2173.3-78.5128.3000112.5D169 D175 I176D169-H172 PolarHBondContact O-N 3.3Å; D169-H172 IonicContact OD1-CG 3.81Å; D169-H172 PolarHBondContact OD1-N 3.45Å; D169-H172 IonicContact OD1-ND1 2.65Å; D169-H172 PolarHBondContact OD1-ND1 3.32Å; D169-H172 IonicContact OD2-CE1 3.9Å; D169-H172 PolarHBondContact OD2-CE1 3.44Å; D169-H172 IonicContact OD2-CG 2.69Å; D169-H172 IonicContact OD2-ND1 3.14Å; D169-H172 PolarHBondContact OD2-ND1 2.96Å; H172-D175 PolarHBondContact O-N 2.88Å; H172-I176 WeakPolarHBondContact O-CD1 3.44Å; H172-I176 VanDerWaalsContact O-CG1 3.29Å; H172-I176 WeakPolarHBondContact O-CG1 3.19Å; H172-I176 PolarHBondContact O-N 3.27Å
173L93.8Very high89.9Confident0 Ų072.3 Ų72.30%035%0.349CS..Hα-helixtrans-63.4-45.1174.3-175.357.6000111.2I141 A144 Y149 V153 A167 D169 K170 H171 D175 I176 C177 F188I141-L173 HydrophobicContact CB-CD2 4.41Å; I141-L173 HydrophobicContact CG1-CD2 4.49Å; I141-L173 HydrophobicContact CG1-CG 4.41Å; I141-L173 HydrophobicContact CG2-CD2 4.17Å; A144-L173 HydrophobicContact CB-CD2 3.62Å; Y149-L173 HydrophobicContact CE1-CB 4.26Å; Y149-L173 HydrophobicContact CE1-CD2 4.14Å; V153-L173 HydrophobicContact CG2-CD1 3.63Å; A167-L173 HydrophobicContact CB-CB 3.77Å; A167-L173 HydrophobicContact CB-CD1 3.84Å; A167-L173 HydrophobicContact CB-CG 4.38Å; D169-L173 PolarHBondContact O-N 3.05Å; K170-L173 PolarHBondContact O-N 2.73Å; H171-L173 VanDerWaalsContact C-N 3.25Å; H171-L173 PolarHBondContact O-N 3.04Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-D175 PolarHBondContact O-N 3.47Å; L173-I176 PolarHBondContact O-N 3.43Å; L173-C177 PolarHBondContact O-N 2.99Å; L173-C177 PolarHBondContact O-SG 3.35Å; L173-F188 HydrophobicContact CD1-CD1 4.32Å; L173-F188 HydrophobicContact CD1-CE1 3.97Å
174S92.1Very high90.1Very high38 Ų3871.8 Ų71.827%0.26634%0.341SS..Hα-helixtrans-58-44.3174.21780000111.9K170 H171 I176 C177 H178K170-S174 PolarHBondContact O-N 3.14Å; H171-S174 WeakPolarHBondContact O-CA 3.41Å; H171-S174 WeakPolarHBondContact O-CB 3.19Å; H171-S174 PolarHBondContact O-N 3.22Å; H171-S174 VanDerWaalsContact O-N 3.09Å; S174-I176 PolarHBondContact O-N 3.15Å; S174-C177 WeakPolarHBondContact O-CB 3.38Å; S174-C177 PolarHBondContact O-N 3.36Å; S174-C177 VanDerWaalsContact O-N 3.16Å; S174-H178 PolarHBondContact O-N 3.01Å; S174-H178 PolarHBondContact O-ND1 3.01Å
175D92.4Very high90.1Very high92 Ų9273.2 Ų73.249%0.49235%0.351SS..Hα-helixtrans-62.2-43.6177.1-66.4-21.1000111.8H171 H172 L173 C177 H178 L179H171-D175 PolarHBondContact O-N 3.14Å; H172-D175 PolarHBondContact O-N 2.88Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-D175 PolarHBondContact O-N 3.47Å; D175-C177 VanDerWaalsContact C-N 3.27Å; D175-C177 PolarHBondContact O-N 2.93Å; D175-H178 PolarHBondContact O-N 3.08Å; D175-L179 WeakPolarHBondContact O-CG 3.36Å
176I90.7Very high90Very high23 Ų2370 Ų7012%0.11834%0.337CS..Hα-helixtrans-59.7-40.8174.8-70.8161.8000110.5F165 A167 H172 L173 S174 H178 L179 I180F165-I176 HydrophobicContact CB-CD1 3.85Å; F165-I176 HydrophobicContact CB-CG1 4.43Å; F165-I176 HydrophobicContact CB-CG2 4.37Å; F165-I176 HydrophobicContact CD2-CG2 4.18Å; F165-I176 HydrophobicContact CG-CG2 4.25Å; A167-I176 HydrophobicContact CB-CD1 3.87Å; H172-I176 WeakPolarHBondContact O-CD1 3.44Å; H172-I176 VanDerWaalsContact O-CG1 3.29Å; H172-I176 WeakPolarHBondContact O-CG1 3.19Å; H172-I176 PolarHBondContact O-N 3.27Å; L173-I176 PolarHBondContact O-N 3.43Å; S174-I176 PolarHBondContact O-N 3.15Å; I176-H178 VanDerWaalsContact C-N 3.28Å; I176-H178 PolarHBondContact O-N 3.29Å; I176-L179 PolarHBondContact O-N 2.98Å; I176-I180 HydrophobicContact CG2-CD1 4.22Å; I176-I180 HydrophobicContact CG2-CG2 4.01Å; I176-I180 WeakPolarHBondContact O-CG1 3.48Å; I176-I180 PolarHBondContact O-N 2.99Å; I176-I180 VanDerWaalsContact O-N 3.14Å
177C87.4Confident90Very high9 Ų967.9 Ų67.96%0.06133%0.326CS..Hα-helixtrans-57.9-39179.2-68.20000112.2F137 L173 S174 D175 L179 H182F137-C177 HydrophobicContact CD1-CB 3.95Å; F137-C177 HydrophobicContact CE1-CB 3.95Å; L173-C177 PolarHBondContact O-N 2.99Å; L173-C177 PolarHBondContact O-SG 3.35Å; S174-C177 WeakPolarHBondContact O-CB 3.38Å; S174-C177 PolarHBondContact O-N 3.36Å; S174-C177 VanDerWaalsContact O-N 3.16Å; D175-C177 VanDerWaalsContact C-N 3.27Å; D175-C177 PolarHBondContact O-N 2.93Å; C177-L179 PolarHBondContact O-N 3.39Å; C177-H182 PolarHBondContact O-CE1 3.23Å; C177-H182 PolarHBondContact O-NE2 2.84Å
178H87.3Confident89.9Confident146 Ų14667.9 Ų67.968%0.67633%0.326SS*.Hα-helixtrans-69.9-18177.1-6695.4000114S174 D175 I176S174-H178 PolarHBondContact O-N 3.01Å; S174-H178 PolarHBondContact O-ND1 3.01Å; D175-H178 PolarHBondContact O-N 3.08Å; I176-H178 VanDerWaalsContact C-N 3.28Å; I176-H178 PolarHBondContact O-N 3.29Å
179L87Confident90Very high148 Ų14859.6 Ų59.678%0.77530%0.295SS*.Hα-helixtrans-99.9-18.6-175.9-64.6174.2000113.5D175 I176 C177D175-L179 WeakPolarHBondContact O-CG 3.36Å; I176-L179 PolarHBondContact O-N 2.98Å; C177-L179 PolarHBondContact O-N 3.39Å
180I86.2Confident90.1Very high14 Ų1461.4 Ų61.47%0.07230%0.3CS..SBendtrans-96.7157.6-177.564.8-180000111.5F137 V153 F165 I176 Y186F137-I180 HydrophobicContact CE1-CD1 3.64Å; F137-I180 HydrophobicContact CE1-CG1 3.86Å; F137-I180 HydrophobicContact CZ-CD1 3.49Å; F137-I180 VanDerWaalsContact CZ-CD1 3.49Å; F137-I180 HydrophobicContact CZ-CG1 3.84Å; V153-I180 HydrophobicContact CG1-CD1 4.42Å; F165-I180 HydrophobicContact CD2-CG2 4.39Å; F165-I180 HydrophobicContact CE2-CG2 3.72Å; F165-I180 HydrophobicContact CZ-CG2 4.15Å; I176-I180 HydrophobicContact CG2-CD1 4.22Å; I176-I180 HydrophobicContact CG2-CG2 4.01Å; I176-I180 WeakPolarHBondContact O-CG1 3.48Å; I176-I180 PolarHBondContact O-N 2.99Å; I176-I180 VanDerWaalsContact O-N 3.14Å; I180-Y186 HydrophobicContact CB-CE1 4.15Å; I180-Y186 HydrophobicContact CB-CE2 4.37Å; I180-Y186 HydrophobicContact CD1-CD1 4.02Å; I180-Y186 HydrophobicContact CD1-CD2 4.19Å; I180-Y186 HydrophobicContact CD1-CE1 3.9Å; I180-Y186 HydrophobicContact CD1-CE2 4.11Å; I180-Y186 HydrophobicContact CD1-CG 4.17Å; I180-Y186 HydrophobicContact CG1-CE2 4.39Å; I180-Y186 HydrophobicContact CG2-CE1 4.28Å
181R84.1Confident90.2Very high144 Ų14460 Ų6054%0.54329%0.292SS..  trans-82.5133.1-176.3-49.5-172.7-61.8132.97.6110.2D183 Y186R181-D183 WeakPolarHBondContact CB-OD1 3.49Å; R181-D183 IonicContact CZ-OD1 2.78Å; R181-D183 IonicContact CZ-OD2 2.7Å; R181-D183 IonicContact NE-OD1 3.1Å; R181-D183 IonicContact NH1-OD1 2.78Å; R181-D183 PolarHBondContact NH1-OD1 3.33Å; R181-D183 IonicContact NH1-OD2 2.72Å; R181-D183 PolarHBondContact NH1-OD2 2.96Å; R181-D183 IonicContact NH2-OD1 3.02Å; R181-Y186 PolarHBondContact N-OH 3.03Å; R181-Y186 WeakPolarHBondContact O-CE2 3.32Å
182H82.8Confident90.3Very high82 Ų8253.6 Ų53.638%0.3826%0.264SS..THydrogen-bonded Turntrans-86.2-9.7-177.9-57.8-55.4000114.4G133 F137 C177 V184G133-H182 PolarHBondContact N-O 3.23Å; F137-H182 WeakPolarHBondContact CB-ND1 3.21Å; F137-H182 AromaticContact CD1-CE1 3.16Å; F137-H182 WeakPolarHBondContact CD1-CE1 3.31Å; F137-H182 AromaticContact CD1-ND1 3.13Å; F137-H182 WeakPolarHBondContact CD1-ND1 3.28Å; F137-H182 HydrophobicContact CD2-CB 4.14Å; F137-H182 AromaticContact CD2-CG 3.94Å; F137-H182 AromaticContact CD2-ND1 3.11Å; F137-H182 WeakPolarHBondContact CD2-ND1 3.28Å; F137-H182 AromaticContact CE1-CE1 3.53Å; F137-H182 AromaticContact CE1-ND1 3.41Å; F137-H182 WeakPolarHBondContact CE1-ND1 3.46Å; F137-H182 AromaticContact CE2-ND1 3.39Å; F137-H182 WeakPolarHBondContact CE2-ND1 3.31Å; F137-H182 AromaticContact CG-CE1 3.42Å; F137-H182 VanDerWaalsContact CG-CE1 3.42Å; F137-H182 WeakPolarHBondContact CG-CE1 3.39Å; F137-H182 AromaticContact CG-CG 3.96Å; F137-H182 AromaticContact CG-ND1 2.96Å; F137-H182 WeakPolarHBondContact CG-ND1 3.09Å; F137-H182 AromaticContact CZ-ND1 3.54Å; C177-H182 PolarHBondContact O-CE1 3.23Å; C177-H182 PolarHBondContact O-NE2 2.84Å; H182-V184 PolarHBondContact O-N 2.85Å
183D80.4Confident90.4Very high106 Ų10656.9 Ų56.957%0.56728%0.277SS*.THydrogen-bonded Turntrans-75.7-2.9179.670.5-39.3000113.8R181R181-D183 WeakPolarHBondContact CB-OD1 3.49Å; R181-D183 IonicContact CZ-OD1 2.78Å; R181-D183 IonicContact CZ-OD2 2.7Å; R181-D183 IonicContact NE-OD1 3.1Å; R181-D183 IonicContact NH1-OD1 2.78Å; R181-D183 PolarHBondContact NH1-OD1 3.33Å; R181-D183 IonicContact NH1-OD2 2.72Å; R181-D183 PolarHBondContact NH1-OD2 2.96Å; R181-D183 IonicContact NH2-OD1 3.02Å
184V83.6Confident90.5Very high28 Ų2859.2 Ų59.217%0.1729%0.288CS..SBendtrans-131.4151.7-178.8-64.10000112.8H182 Y186H182-V184 PolarHBondContact O-N 2.85Å; V184-Y186 HydrophobicContact CG2-CD2 4.47Å; V184-Y186 HydrophobicContact CG2-CE2 3.62Å; V184-Y186 WeakPolarHBondContact O-CD2 3.32Å
185P86.8Confident90.7Very high54 Ų5457.7 Ų57.735%0.35128%0.278SS..  trans-76.6137.8178.623.6-24.3000112.9T156T156-P185 WeakPolarHBondContact CB-O 3.49Å; T156-P185 HydrophobicContact CG2-CB 4.02Å; T156-P185 HydrophobicContact CG2-CG 4.41Å; T156-P185 VanDerWaalsContact CG2-O 3.32Å; T156-P185 WeakPolarHBondContact CG2-O 3.47Å; T156-P185 PolarHBondContact N-O 2.95Å; T156-P185 WeakPolarHBondContact OG1-CG 3.12Å; T156-P185 PolarHBondContact OG1-O 2.71Å
186Y90.8Very high90.9Very high11 Ų1157 Ų574%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-110.7158.1172.3-72.6-96.6000110.9S130 Y131 F137 V153 K154 I180 R181 V184S130-Y186 CarbonylContact C-O 3.57Å; S130-Y186 WeakPolarHBondContact CA-O 3.28Å; S130-Y186 WeakPolarHBondContact CB-O 3.41Å; S130-Y186 PolarHBondContact OG-O 2.83Å; Y131-Y186 PolarHBondContact N-O 3.14Å; Y131-Y186 PolarHBondContact O-N 3.37Å; F137-Y186 HydrophobicContact CE2-CD2 4.19Å; F137-Y186 AromaticContact CZ-CD2 3.99Å; F137-Y186 HydrophobicContact CZ-CD2 3.99Å; F137-Y186 HydrophobicContact CZ-CE2 4.42Å; V153-Y186 HydrophobicContact CG1-CD1 4.01Å; K154-Y186 CarbonylContact O-C 3.6Å; K154-Y186 WeakPolarHBondContact O-CA 3.36Å; I180-Y186 HydrophobicContact CB-CE1 4.15Å; I180-Y186 HydrophobicContact CB-CE2 4.37Å; I180-Y186 HydrophobicContact CD1-CD1 4.02Å; I180-Y186 HydrophobicContact CD1-CD2 4.19Å; I180-Y186 HydrophobicContact CD1-CE1 3.9Å; I180-Y186 HydrophobicContact CD1-CE2 4.11Å; I180-Y186 HydrophobicContact CD1-CG 4.17Å; I180-Y186 HydrophobicContact CG1-CE2 4.39Å; I180-Y186 HydrophobicContact CG2-CE1 4.28Å; R181-Y186 PolarHBondContact N-OH 3.03Å; R181-Y186 WeakPolarHBondContact O-CE2 3.32Å; V184-Y186 HydrophobicContact CG2-CD2 4.47Å; V184-Y186 HydrophobicContact CG2-CE2 3.62Å; V184-Y186 WeakPolarHBondContact O-CD2 3.32Å
187L93.1Very high91Very high1 Ų156.4 Ų56.41%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-116.6128.6175.3176.8154.3000107.7K111 F112 F115 T128 F129 V153 K154 T156 Q189K111-L187 HydrophobicContact CB-CD1 4.02Å; F112-L187 HydrophobicContact CB-CD1 4.08Å; F112-L187 HydrophobicContact CD2-CD1 3.97Å; F112-L187 HydrophobicContact CD2-CG 4.43Å; F115-L187 HydrophobicContact CD2-CD1 4.17Å; F115-L187 HydrophobicContact CE2-CD1 4.02Å; T128-L187 HydrophobicContact CG2-CD1 3.67Å; T128-L187 HydrophobicContact CG2-CD2 3.59Å; T128-L187 HydrophobicContact CG2-CG 3.36Å; F129-L187 WeakPolarHBondContact O-CA 3.38Å; V153-L187 CarbonylContact C-O 3.58Å; K154-L187 HydrophobicContact CB-CB 4.48Å; K154-L187 HydrophobicContact CB-CD2 4.35Å; K154-L187 HydrophobicContact CD-CD2 4.17Å; K154-L187 HydrophobicContact CG-CD2 4.29Å; K154-L187 PolarHBondContact N-O 2.81Å; K154-L187 PolarHBondContact O-N 2.85Å; T156-L187 HydrophobicContact CG2-CB 4.17Å; L187-Q189 HydrophobicContact CD2-CB 3.69Å
188F94.9Very high91.4Very high0 Ų059.3 Ų59.30%028%0.282CS..EExtended strand (participates in β ladder)trans-113127.3178-61.6-95.1000107.5T128 F129 M140 L147 V151 V152 V153 L173T128-F188 VanDerWaalsContact CA-O 3.3Å; T128-F188 WeakPolarHBondContact CA-O 3.37Å; T128-F188 WeakPolarHBondContact CG2-O 3.3Å; F129-F188 HydrophobicContact CD1-CB 3.77Å; F129-F188 HydrophobicContact CD2-CB 4.49Å; F129-F188 HydrophobicContact CD2-CD2 4.15Å; F129-F188 HydrophobicContact CE1-CB 3.25Å; F129-F188 HydrophobicContact CE1-CD2 4.29Å; F129-F188 AromaticContact CE1-CG 3.88Å; F129-F188 HydrophobicContact CE1-CG 3.88Å; F129-F188 HydrophobicContact CE2-CB 4.07Å; F129-F188 AromaticContact CE2-CD2 3.52Å; F129-F188 HydrophobicContact CE2-CD2 3.52Å; F129-F188 HydrophobicContact CE2-CE2 4.22Å; F129-F188 AromaticContact CE2-CG 3.93Å; F129-F188 HydrophobicContact CE2-CG 3.93Å; F129-F188 HydrophobicContact CG-CB 4.36Å; F129-F188 HydrophobicContact CZ-CB 3.43Å; F129-F188 VanDerWaalsContact CZ-CB 3.43Å; F129-F188 HydrophobicContact CZ-CD1 4.23Å; F129-F188 AromaticContact CZ-CD2 3.6Å; F129-F188 HydrophobicContact CZ-CD2 3.6Å; F129-F188 HydrophobicContact CZ-CE2 4.46Å; F129-F188 AromaticContact CZ-CG 3.48Å; F129-F188 HydrophobicContact CZ-CG 3.48Å; F129-F188 VanDerWaalsContact CZ-CG 3.48Å; F129-F188 PolarHBondContact N-O 3.13Å; F129-F188 PolarHBondContact O-N 2.73Å; M140-F188 HydrophobicContact CB-CE2 4.41Å; M140-F188 HydrophobicContact CB-CZ 4.32Å; M140-F188 HydrophobicContact CE-CE2 3.89Å; M140-F188 HydrophobicContact CE-CZ 3.65Å; M140-F188 HydrophobicContact CG-CE1 4.41Å; M140-F188 HydrophobicContact CG-CZ 4.04Å; M140-F188 HydrophobicContact SD-CE1 4.1Å; M140-F188 HydrophobicContact SD-CE2 4.23Å; M140-F188 HydrophobicContact SD-CZ 3.45Å; M140-F188 WeakPolarHBondContact SD-CZ 3.44Å; L147-F188 HydrophobicContact CD1-CB 4.11Å; V151-F188 HydrophobicContact CG1-CB 4.25Å; V151-F188 HydrophobicContact CG1-CD1 4.44Å; V152-F188 CarbonylContact O-C 3.45Å; V152-F188 WeakPolarHBondContact O-CA 3.32Å; V153-F188 HydrophobicContact CB-CD1 4.44Å; V153-F188 HydrophobicContact CB-CE1 4.36Å; V153-F188 HydrophobicContact CG1-CD1 4.18Å; V153-F188 HydrophobicContact CG1-CE1 3.72Å; V153-F188 HydrophobicContact CG1-CZ 4.15Å; V153-F188 HydrophobicContact CG2-CD1 3.8Å; V153-F188 HydrophobicContact CG2-CE1 3.82Å; L173-F188 HydrophobicContact CD1-CD1 4.32Å; L173-F188 HydrophobicContact CD1-CE1 3.97Å
189Q97.1Very high91.8Very high2 Ų252.6 Ų52.61%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-138.2138.9-167.3177.1169.678.600111.1P126 D127 T128 V152 L187 Y191P126-Q189 HydrophobicContact CB-CG 3.69Å; P126-Q189 HydrophobicContact CG-CG 4.2Å; D127-Q189 WeakPolarHBondContact O-CA 3.33Å; T128-Q189 HydrophobicContact CG2-CB 4.32Å; T128-Q189 WeakPolarHBondContact OG1-CG 3.21Å; T128-Q189 PolarHBondContact OG1-NE2 3.39Å; V152-Q189 HydrophobicContact CB-CB 4.36Å; V152-Q189 PolarHBondContact N-O 2.87Å; V152-Q189 PolarHBondContact O-N 3.24Å; L187-Q189 HydrophobicContact CD2-CB 3.69Å; Q189-Y191 PolarHBondContact O-N 2.69Å
190K97.5Very high92.3Very high95 Ų9546.1 Ų46.141%0.41322%0.217SC..EExtended strand (participates in β ladder)trans-55.1129.9171.7-177.1173.2-173.7173.70110.4P126 D127 L147P126-K190 HydrophobicContact CB-CB 4.37Å; D127-K190 HydrophobicContact CB-CB 4.12Å; D127-K190 HydrophobicContact CB-CD 4.28Å; D127-K190 PolarHBondContact O-N 2.69Å; D127-K190 WeakPolarHBondContact OD2-CD 3.4Å; D127-K190 IonicContact OD2-NZ 2.89Å; D127-K190 PolarHBondContact OD2-NZ 3.14Å; L147-K190 HydrophobicContact CD2-CB 4.42Å
191Y97.6Very high92.9Very high44 Ų4446.4 Ų46.417%0.17322%0.218CC..  trans-79.2128.2-178.4173.8-110.7000112.1P150 V152 L166 Q189 K193 H196 M222P150-Y191 HydrophobicContact CB-CD1 4.47Å; P150-Y191 HydrophobicContact CG-CD1 3.24Å; P150-Y191 HydrophobicContact CG-CE1 3.7Å; P150-Y191 HydrophobicContact CG-CG 3.75Å; P150-Y191 WeakPolarHBondContact O-CB 3.33Å; V152-Y191 HydrophobicContact CG2-CD2 3.77Å; V152-Y191 HydrophobicContact CG2-CG 4.4Å; L166-Y191 HydrophobicContact CD1-CD2 3.51Å; L166-Y191 HydrophobicContact CD1-CE2 3.86Å; L166-Y191 HydrophobicContact CD1-CG 3.91Å; L166-Y191 HydrophobicContact CD2-CE2 4.16Å; Q189-Y191 PolarHBondContact O-N 2.69Å; Y191-K193 HydrophobicContact CD1-CB 3.98Å; Y191-K193 HydrophobicContact CE1-CB 3.51Å; Y191-K193 PolarHBondContact O-N 2.88Å; Y191-H196 AromaticContact CE2-ND1 3.96Å; Y191-H196 AromaticContact CZ-ND1 3.68Å; Y191-H196 WeakPolarHBondContact OH-CB 3.07Å; Y191-H196 PolarHBondContact OH-ND1 2.79Å; Y191-M222 HydrophobicContact CD2-SD 3.82Å; Y191-M222 HydrophobicContact CE2-CG 4.07Å; Y191-M222 HydrophobicContact CE2-SD 3.63Å
192V97.2Very high93.6Very high15 Ų1539.6 Ų39.69%0.09119%0.192CC..  trans-94.894.6174.8-174.90000108.6P126 E194 S195 L262 I263 M264 V270P126-V192 HydrophobicContact CB-CG2 4.28Å; P126-V192 HydrophobicContact CG-CG2 3.99Å; V192-E194 VanDerWaalsContact C-N 3.26Å; V192-E194 PolarHBondContact O-N 2.84Å; V192-S195 PolarHBondContact O-N 2.72Å; V192-S195 VanDerWaalsContact O-N 3.11Å; V192-L262 HydrophobicContact CB-CB 4.37Å; V192-L262 HydrophobicContact CB-CD1 3.97Å; V192-L262 HydrophobicContact CG1-CB 4.27Å; V192-L262 HydrophobicContact CG2-CB 4.44Å; V192-L262 HydrophobicContact CG2-CD1 3.69Å; V192-I263 WeakPolarHBondContact CG1-O 3.43Å; V192-M264 HydrophobicContact CG1-SD 3.64Å; V192-M264 HydrophobicContact CG2-SD 4.38Å; V192-V270 HydrophobicContact CG2-CG2 4.11Å
193K95.9Very high94.3Very high142 Ų14235.7 Ų35.762%0.61717%0.174SC*.G310 helixtrans-62.8-33.3-172.366.6-178.2-179.1-176.20112.9Y191 S195 H196Y191-K193 HydrophobicContact CD1-CB 3.98Å; Y191-K193 HydrophobicContact CE1-CB 3.51Å; Y191-K193 PolarHBondContact O-N 2.88Å; K193-S195 PolarHBondContact O-N 2.76Å; K193-H196 WeakPolarHBondContact O-CB 3.2Å; K193-H196 PolarHBondContact O-N 3.27Å; K193-H196 VanDerWaalsContact O-N 3.08Å
194E96.4Very high95.2Very high50 Ų5030.6 Ų30.623%0.23415%0.147CC..G310 helixtrans-66.1-24.9179.6-66.778.1-162.400111.7V192 K198 I263 D265V192-E194 VanDerWaalsContact C-N 3.26Å; V192-E194 PolarHBondContact O-N 2.84Å; E194-K198 WeakPolarHBondContact O-CE 3.39Å; E194-K198 PolarHBondContact O-NZ 2.94Å; E194-I263 WeakPolarHBondContact CB-O 3.36Å; E194-D265 HydrophobicContact CG-CB 3.76Å
195S96.3Very high95.9Very high6 Ų629.6 Ų29.64%0.04214%0.141CC..G310 helixtrans-98.317.6176.8-141.70000112.5V192 K193 G197 K198 L262 I263V192-S195 PolarHBondContact O-N 2.72Å; V192-S195 VanDerWaalsContact O-N 3.11Å; K193-S195 PolarHBondContact O-N 2.76Å; S195-G197 PolarHBondContact O-N 2.68Å; S195-G197 VanDerWaalsContact O-N 3.16Å; S195-K198 CarbonylContact C-O 3.57Å; S195-K198 PolarHBondContact O-N 3.48Å; S195-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 PolarHBondContact OG-O 2.8Å; S195-L262 WeakPolarHBondContact OG-CA 3.19Å; S195-I263 PolarHBondContact OG-N 2.58Å; S195-I263 VanDerWaalsContact OG-N 3.1Å
196H95.4Very high96.4Very high77 Ų7728.5 Ų28.536%0.35614%0.139SC..THydrogen-bonded Turntrans-59.1123.2176.8-171.376.6000111.4Y191 K193 K198 G220Y191-H196 AromaticContact CE2-ND1 3.96Å; Y191-H196 AromaticContact CZ-ND1 3.68Å; Y191-H196 WeakPolarHBondContact OH-CB 3.07Å; Y191-H196 PolarHBondContact OH-ND1 2.79Å; K193-H196 WeakPolarHBondContact O-CB 3.2Å; K193-H196 PolarHBondContact O-N 3.27Å; K193-H196 VanDerWaalsContact O-N 3.08Å; H196-K198 PolarHBondContact O-N 2.95Å; H196-K198 VanDerWaalsContact O-N 3.14Å; H196-G220 PolarHBondContact NE2-O 3.16Å
197G94.4Very high96.7Very high10 Ų1028.7 Ų28.710%0.10314%0.144CC..THydrogen-bonded Turntrans67.910177.200000113.5S195 C216 S217 R221 M222S195-G197 PolarHBondContact O-N 2.68Å; S195-G197 VanDerWaalsContact O-N 3.16Å; G197-C216 CarbonylContact O-C 3.56Å; G197-C216 WeakPolarHBondContact O-CA 3.45Å; G197-S217 PolarHBondContact O-N 3.47Å; G197-R221 WeakPolarHBondContact CA-O 3.46Å; G197-M222 VanDerWaalsContact CA-O 3.28Å; G197-M222 WeakPolarHBondContact CA-O 3.45Å; G197-M222 PolarHBondContact N-O 2.86Å
198K94.9Very high96.9Very high70 Ų7034.9 Ų34.930%0.30417%0.173SC..EExtended strand (participates in β ladder)trans-144.9145.4178.165.3179.6177.3178.50112.8E194 S195 H196 L214 R215 I263E194-K198 WeakPolarHBondContact O-CE 3.39Å; E194-K198 PolarHBondContact O-NZ 2.94Å; S195-K198 CarbonylContact C-O 3.57Å; S195-K198 PolarHBondContact O-N 3.48Å; S195-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 PolarHBondContact OG-O 2.8Å; H196-K198 PolarHBondContact O-N 2.95Å; H196-K198 VanDerWaalsContact O-N 3.14Å; K198-L214 HydrophobicContact CB-CD1 4.31Å; K198-R215 WeakPolarHBondContact CA-O 3.35Å; K198-I263 HydrophobicContact CD-CD1 4.15Å; K198-I263 HydrophobicContact CG-CD1 4.42Å
199D96.5Very high97.1Very high6 Ų636.4 Ų36.43%0.03218%0.182CC..EExtended strand (participates in β ladder)trans-155.9165.3171.783.7-52.1000110.6R215 S224 L262D199-R215 VanDerWaalsContact CG-NH2 3.33Å; D199-R215 PolarHBondContact N-O 3.48Å; D199-R215 VanDerWaalsContact N-O 3.11Å; D199-R215 PolarHBondContact O-N 3.24Å; D199-R215 WeakPolarHBondContact OD1-CB 3.45Å; D199-R215 IonicContact OD1-CZ 3.37Å; D199-R215 IonicContact OD1-NE 3.79Å; D199-R215 PolarHBondContact OD1-NE 2.87Å; D199-R215 IonicContact OD1-NH2 3.14Å; D199-R215 PolarHBondContact OD1-NH2 2.59Å; D199-R215 IonicContact OD2-CZ 2.73Å; D199-R215 IonicContact OD2-NE 3.47Å; D199-R215 PolarHBondContact OD2-NE 2.96Å; D199-R215 IonicContact OD2-NH2 2.83Å; D199-R215 PolarHBondContact OD2-NH2 3.4Å; D199-S224 PolarHBondContact OD1-OG 2.87Å; D199-L262 HydrophobicContact CB-CD2 4.07Å
200I97.6Very high97.1Very high11 Ų1138.1 Ų38.16%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-110.5117.8178.1-58.2178.6000109.5V202 L214 L237 D260 L261 I263 F269I200-V202 HydrophobicContact CG2-CG2 4.02Å; I200-L214 HydrophobicContact CG1-CD1 3.93Å; I200-L237 HydrophobicContact CD1-CD1 4.15Å; I200-L237 HydrophobicContact CG2-CD1 4.31Å; I200-D260 WeakPolarHBondContact O-CA 3.41Å; I200-L261 HydrophobicContact CB-CB 4.45Å; I200-L261 PolarHBondContact N-O 3.33Å; I200-L261 PolarHBondContact O-N 3.43Å; I200-I263 HydrophobicContact CD1-CD1 4.18Å; I200-I263 HydrophobicContact CD1-CG1 4.17Å; I200-I263 HydrophobicContact CG1-CD1 4.22Å; I200-I263 HydrophobicContact CG1-CG1 4.36Å; I200-F269 HydrophobicContact CD1-CE1 3.67Å; I200-F269 HydrophobicContact CD1-CZ 4.34Å
201R98Very high97.1Very high21 Ų2134.3 Ų34.38%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-84.2118.9167.2173.166.660150.2-12.6108.7V203 S212 M213 D260 N275 F283R201-V203 HydrophobicContact CG-CG2 4.4Å; R201-S212 CarbonylContact O-C 3.55Å; R201-S212 VanDerWaalsContact O-CA 3.32Å; R201-S212 WeakPolarHBondContact O-CA 3.4Å; R201-M213 HydrophobicContact CB-CE 4.47Å; R201-M213 PolarHBondContact N-O 3.34Å; R201-M213 PolarHBondContact O-N 3.33Å; R201-D260 WeakPolarHBondContact CD-OD1 3.47Å; R201-D260 IonicContact CZ-OD1 3.25Å; R201-D260 IonicContact CZ-OD2 3.1Å; R201-D260 IonicContact NE-OD1 3.74Å; R201-D260 PolarHBondContact NE-OD1 3.29Å; R201-D260 IonicContact NE-OD2 2.61Å; R201-D260 IonicContact NH2-OD1 3.93Å; R201-D260 PolarHBondContact NH2-OD1 2.86Å; R201-D260 IonicContact NH2-OD2 3.47Å; R201-D260 PolarHBondContact NH2-OD2 2.81Å; R201-N275 PolarHBondContact NH1-ND2 3.45Å; R201-N275 PolarHBondContact NH2-ND2 3.32Å; R201-F283 HydrophobicContact CG-CD2 4.14Å
202V98.5Very high97.2Very high0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-106.1129.5171.9-168.60000108.6I200 V204 V209 L237 A245 G258 I259 L261I200-V202 HydrophobicContact CG2-CG2 4.02Å; V202-V204 HydrophobicContact CG1-CG2 4.44Å; V202-V209 HydrophobicContact CG1-CB 4.34Å; V202-V209 HydrophobicContact CG1-CG1 3.56Å; V202-V209 HydrophobicContact CG1-CG2 3.85Å; V202-L237 HydrophobicContact CB-CD2 4.46Å; V202-L237 HydrophobicContact CG1-CD2 4.03Å; V202-L237 HydrophobicContact CG2-CD2 3.53Å; V202-A245 HydrophobicContact CB-CB 3.99Å; V202-A245 HydrophobicContact CG1-CB 3.68Å; V202-A245 HydrophobicContact CG2-CB 4.36Å; V202-G258 CarbonylContact O-C 3.56Å; V202-G258 VanDerWaalsContact O-CA 3.31Å; V202-G258 WeakPolarHBondContact O-CA 3.17Å; V202-I259 PolarHBondContact N-O 3.4Å; V202-I259 PolarHBondContact O-N 2.92Å; V202-L261 HydrophobicContact CG2-CD1 3.77Å; V202-L261 HydrophobicContact CG2-CG 4.21Å
203V98.4Very high97.1Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-104126.4174.1-179.20000109R201 V205 I210 G211 C257 V278 F283R201-V203 HydrophobicContact CG-CG2 4.4Å; V203-V205 HydrophobicContact CG1-CG2 4.4Å; V203-I210 HydrophobicContact CB-CD1 4.21Å; V203-I210 HydrophobicContact CB-CG1 3.9Å; V203-I210 HydrophobicContact CG1-CD1 3.66Å; V203-I210 HydrophobicContact CG1-CG1 3.78Å; V203-I210 WeakPolarHBondContact O-CG1 3.32Å; V203-I210 PolarHBondContact O-N 2.88Å; V203-G211 PolarHBondContact N-O 3.11Å; V203-G211 VanDerWaalsContact N-O 3.14Å; V203-C257 WeakPolarHBondContact CA-O 3.43Å; V203-V278 HydrophobicContact CG2-CG2 4.41Å; V203-F283 HydrophobicContact CB-CE1 3.9Å; V203-F283 HydrophobicContact CB-CE2 4.13Å; V203-F283 HydrophobicContact CB-CZ 3.66Å; V203-F283 HydrophobicContact CG2-CD1 3.92Å; V203-F283 HydrophobicContact CG2-CD2 3.73Å; V203-F283 HydrophobicContact CG2-CE1 3.73Å; V203-F283 HydrophobicContact CG2-CE2 3.54Å; V203-F283 HydrophobicContact CG2-CG 3.91Å; V203-F283 HydrophobicContact CG2-CZ 3.52Å
204V98.7Very high97.2Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-114.3135.8179-175.10000108.3V202 Q208 V209 A245 F256 C257V202-V204 HydrophobicContact CG1-CG2 4.44Å; V204-Q208 CarbonylContact C-O 3.58Å; V204-Q208 VanDerWaalsContact CA-O 3.27Å; V204-Q208 WeakPolarHBondContact CA-O 3.36Å; V204-Q208 WeakPolarHBondContact CG1-O 3.45Å; V204-V209 HydrophobicContact CG2-CG2 4.18Å; V204-A245 HydrophobicContact CG2-CB 4.07Å; V204-F256 CarbonylContact O-C 3.57Å; V204-F256 WeakPolarHBondContact O-CA 3Å; V204-C257 PolarHBondContact N-O 3.28Å; V204-C257 PolarHBondContact O-N 3.31Å
205V98.6Very high97.1Very high7 Ų724.3 Ų24.34%0.04214%0.136CC..EExtended strand (participates in β ladder)trans-137.4127.6173-175.10000108.2V203 G207 Q208 I210 D255 F256 I294 I295 Y298V203-V205 HydrophobicContact CG1-CG2 4.4Å; V205-G207 PolarHBondContact O-N 2.9Å; V205-Q208 PolarHBondContact N-O 3.07Å; V205-Q208 PolarHBondContact O-N 3.11Å; V205-I210 HydrophobicContact CB-CG2 4.04Å; V205-I210 HydrophobicContact CG2-CD1 3.9Å; V205-I210 HydrophobicContact CG2-CG1 4.36Å; V205-I210 HydrophobicContact CG2-CG2 4.05Å; V205-D255 CarbonylContact C-O 3.35Å; V205-D255 WeakPolarHBondContact CA-O 3.34Å; V205-F256 HydrophobicContact CB-CB 4.43Å; V205-F256 HydrophobicContact CG1-CB 4.3Å; V205-F256 HydrophobicContact CG2-CB 4.08Å; V205-I294 HydrophobicContact CB-CG2 4.22Å; V205-I294 HydrophobicContact CG1-CG2 4.16Å; V205-I294 HydrophobicContact CG2-CG2 4.27Å; V205-I295 HydrophobicContact CG1-CG1 4.45Å; V205-I295 HydrophobicContact CG2-CG1 4.11Å; V205-Y298 HydrophobicContact CG1-CD1 4.26Å; V205-Y298 HydrophobicContact CG1-CG 3.91Å
206G97.3Very high97Very high30 Ų3025.3 Ų25.331%0.30914%0.143SC..THydrogen-bonded Turntrans58.133.9178.800000114.4Q208 D255G206-Q208 VanDerWaalsContact C-N 3.28Å; G206-Q208 PolarHBondContact O-N 3.17Å; G206-D255 PolarHBondContact N-O 2.98Å
207G96.7Very high96.8Very high16 Ų1622.9 Ų22.917%0.16513%0.134CC..THydrogen-bonded Turntrans74.413.8-176.800000114.7V205V205-G207 PolarHBondContact O-N 2.9Å
208Q97.8Very high96.5Very high131 Ų13126.8 Ų26.861%0.61216%0.156SC*.EExtended strand (participates in β ladder)trans-120.8137.5177.3-61.5-61.5-38.100111.1V204 V205 G206 I210V204-Q208 CarbonylContact C-O 3.58Å; V204-Q208 VanDerWaalsContact CA-O 3.27Å; V204-Q208 WeakPolarHBondContact CA-O 3.36Å; V204-Q208 WeakPolarHBondContact CG1-O 3.45Å; V205-Q208 PolarHBondContact N-O 3.07Å; V205-Q208 PolarHBondContact O-N 3.11Å; G206-Q208 VanDerWaalsContact C-N 3.28Å; G206-Q208 PolarHBondContact O-N 3.17Å; Q208-I210 PolarHBondContact O-N 2.82Å
209V98.4Very high96.1Very high31 Ų3127.4 Ų27.419%0.18816%0.163CC..EExtended strand (participates in β ladder)trans-74.8116.1171.3175.10000108.8V202 V204 K242 A245 I246V202-V209 HydrophobicContact CG1-CB 4.34Å; V202-V209 HydrophobicContact CG1-CG1 3.56Å; V202-V209 HydrophobicContact CG1-CG2 3.85Å; V204-V209 HydrophobicContact CG2-CG2 4.18Å; V209-K242 HydrophobicContact CB-CG 4.36Å; V209-K242 HydrophobicContact CG1-CG 4.36Å; V209-K242 HydrophobicContact CG2-CB 3.98Å; V209-K242 HydrophobicContact CG2-CG 4.18Å; V209-A245 HydrophobicContact CG2-CB 4.39Å; V209-I246 HydrophobicContact CG2-CD1 4.15Å; V209-I246 HydrophobicContact CG2-CG1 3.94Å
210I97.8Very high95.4Very high38 Ų3829.9 Ų29.920%0.19519%0.19CC..EExtended strand (participates in β ladder)trans-88.8-18.4179.166.1162.9000112.2V203 V205 Q208 L289 V291 I294V203-I210 HydrophobicContact CB-CD1 4.21Å; V203-I210 HydrophobicContact CB-CG1 3.9Å; V203-I210 HydrophobicContact CG1-CD1 3.66Å; V203-I210 HydrophobicContact CG1-CG1 3.78Å; V203-I210 WeakPolarHBondContact O-CG1 3.32Å; V203-I210 PolarHBondContact O-N 2.88Å; V205-I210 HydrophobicContact CB-CG2 4.04Å; V205-I210 HydrophobicContact CG2-CD1 3.9Å; V205-I210 HydrophobicContact CG2-CG1 4.36Å; V205-I210 HydrophobicContact CG2-CG2 4.05Å; Q208-I210 PolarHBondContact O-N 2.82Å; I210-L289 WeakPolarHBondContact O-CD1 3.42Å; I210-V291 HydrophobicContact CD1-CB 4.41Å; I210-V291 HydrophobicContact CD1-CG1 4.04Å; I210-V291 HydrophobicContact CD1-CG2 3.85Å; I210-I294 HydrophobicContact CD1-CD1 4.13Å; I210-I294 HydrophobicContact CG2-CG2 4.04Å
211G97.5Very high94.8Very high16 Ų1634.7 Ų34.717%0.16521%0.207CC..EExtended strand (participates in β ladder)trans172.5176.8174.800000113V203 F283V203-G211 PolarHBondContact N-O 3.11Å; V203-G211 VanDerWaalsContact N-O 3.14Å; G211-F283 VanDerWaalsContact C-CZ 3.41Å; G211-F283 WeakPolarHBondContact O-CZ 3.38Å
212S97.9Very high94.3Very high9 Ų935.1 Ų35.16%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-142.6144.1177.139.80000111.4R201 C235 L237R201-S212 CarbonylContact O-C 3.55Å; R201-S212 VanDerWaalsContact O-CA 3.32Å; R201-S212 WeakPolarHBondContact O-CA 3.4Å; S212-C235 PolarHBondContact O-N 2.86Å; S212-C235 PolarHBondContact OG-O 3.16Å; S212-L237 WeakPolarHBondContact OG-CB 3.4Å
213M96.9Very high93.7Very high7 Ų736.8 Ų36.83%0.03422%0.219CC..EExtended strand (participates in β ladder)trans-130.3119.5-179.6178.217670.400109.2R201 R215 V233 A282 F283 A286R201-M213 HydrophobicContact CB-CE 4.47Å; R201-M213 PolarHBondContact N-O 3.34Å; R201-M213 PolarHBondContact O-N 3.33Å; M213-R215 HydrophobicContact CE-CG 3.83Å; M213-R215 HydrophobicContact CG-CG 4.38Å; M213-V233 CarbonylContact C-O 3.53Å; M213-V233 WeakPolarHBondContact CA-O 3.27Å; M213-A282 HydrophobicContact CE-CB 4.35Å; M213-F283 HydrophobicContact CB-CD2 3.63Å; M213-F283 HydrophobicContact CB-CE2 3.98Å; M213-F283 HydrophobicContact CE-CB 4.12Å; M213-F283 HydrophobicContact CE-CD2 4.32Å; M213-F283 HydrophobicContact SD-CB 4.3Å; M213-F283 HydrophobicContact SD-CD2 4.47Å; M213-A286 HydrophobicContact CG-CB 4.11Å; M213-A286 HydrophobicContact SD-CB 3.6Å; M213-A286 VanDerWaalsContact SD-CB 3.6Å
214L96.5Very high92.9Very high8 Ų837.2 Ų37.24%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-74.1126.8166.5178.771.4000107.8K198 I200 G232 V233 C235 I263 L388K198-L214 HydrophobicContact CB-CD1 4.31Å; I200-L214 HydrophobicContact CG1-CD1 3.93Å; L214-G232 WeakPolarHBondContact O-CA 3.41Å; L214-V233 PolarHBondContact N-O 3.15Å; L214-V233 PolarHBondContact O-N 3.2Å; L214-C235 HydrophobicContact CB-CB 3.9Å; L214-C235 PolarHBondContact N-SG 2.7Å; L214-C235 VanDerWaalsContact N-SG 3.41Å; L214-I263 HydrophobicContact CD1-CD1 4.18Å; L214-L388 HydrophobicContact CD2-CD1 3.26Å; L214-L388 HydrophobicContact CD2-CD2 4.06Å; L214-L388 HydrophobicContact CD2-CG 4.27Å
215R95.3Very high92Very high17 Ų1738.5 Ų38.56%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-107.1135.6173.3-50.2-174.6-68.6-172.2-3.1108.8K198 D199 M213 S224 N225 V231 D260K198-R215 WeakPolarHBondContact CA-O 3.35Å; D199-R215 VanDerWaalsContact CG-NH2 3.33Å; D199-R215 PolarHBondContact N-O 3.48Å; D199-R215 VanDerWaalsContact N-O 3.11Å; D199-R215 PolarHBondContact O-N 3.24Å; D199-R215 WeakPolarHBondContact OD1-CB 3.45Å; D199-R215 IonicContact OD1-CZ 3.37Å; D199-R215 IonicContact OD1-NE 3.79Å; D199-R215 PolarHBondContact OD1-NE 2.87Å; D199-R215 IonicContact OD1-NH2 3.14Å; D199-R215 PolarHBondContact OD1-NH2 2.59Å; D199-R215 IonicContact OD2-CZ 2.73Å; D199-R215 IonicContact OD2-NE 3.47Å; D199-R215 PolarHBondContact OD2-NE 2.96Å; D199-R215 IonicContact OD2-NH2 2.83Å; D199-R215 PolarHBondContact OD2-NH2 3.4Å; M213-R215 HydrophobicContact CE-CG 3.83Å; M213-R215 HydrophobicContact CG-CG 4.38Å; R215-S224 WeakPolarHBondContact CB-O 3.35Å; R215-S224 WeakPolarHBondContact O-CB 3.36Å; R215-N225 PolarHBondContact NH1-OD1 2.63Å; R215-N225 PolarHBondContact NH2-OD1 3.05Å; R215-N225 VanDerWaalsContact NH2-OD1 3.15Å; R215-V231 CarbonylContact C-O 3.45Å; R215-V231 WeakPolarHBondContact CA-O 3.4Å; R215-D260 IonicContact CZ-OD1 2.83Å; R215-D260 IonicContact CZ-OD2 3.73Å; R215-D260 IonicContact NH2-OD1 3.41Å; R215-D260 PolarHBondContact NH2-OD1 3.43Å; R215-D260 VanDerWaalsContact NH2-OD1 3.16Å; R215-D260 IonicContact NH2-OD2 3.8Å; R215-D260 PolarHBondContact NH2-OD2 2.88Å
216C92.9Very high90.8Very high27 Ų2739.8 Ų39.818%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-127135.7178.9-63.90000110.6G197 G230 V231G197-C216 CarbonylContact O-C 3.56Å; G197-C216 WeakPolarHBondContact O-CA 3.45Å; C216-G230 CarbonylContact O-C 3.59Å; C216-G230 WeakPolarHBondContact O-CA 3.49Å; C216-V231 PolarHBondContact N-O 2.97Å; C216-V231 PolarHBondContact O-N 3.24Å
217S92.2Very high89.6Confident26 Ų2641.5 Ų41.518%0.18225%0.245CC..  trans-67.2146.4167.2-178.30000110.6G197 D219 R221G197-S217 PolarHBondContact O-N 3.47Å; S217-D219 PolarHBondContact OG-OD1 3.17Å; S217-R221 WeakPolarHBondContact CB-O 3.05Å; S217-R221 PolarHBondContact OG-N 3.29Å; S217-R221 PolarHBondContact OG-O 2.95Å; S217-R221 VanDerWaalsContact OG-O 3.07Å
218T88.6Confident88.6Confident91 Ų9143.6 Ų43.656%0.55825%0.251SS*.SBendtrans-105.7-8.4-179.349.10000113.3G229 V231T218-G229 WeakPolarHBondContact CG2-O 3.38Å; T218-G229 PolarHBondContact OG1-O 3.11Å; T218-V231 HydrophobicContact CG2-CG2 3.67Å
219D85.4Confident87.6Confident83 Ų8339.5 Ų39.544%0.44424%0.244SC..SBendtrans-125.514.4-171.860.818.1000113.3S217 R221S217-D219 PolarHBondContact OG-OD1 3.17Å; D219-R221 VanDerWaalsContact CG-NE 3.27Å; D219-R221 PolarHBondContact O-N 3.5Å; D219-R221 VanDerWaalsContact OD1-CB 3.24Å; D219-R221 WeakPolarHBondContact OD1-CB 3.36Å; D219-R221 VanDerWaalsContact OD1-CG 3.25Å; D219-R221 WeakPolarHBondContact OD1-CG 3.26Å; D219-R221 PolarHBondContact OD1-N 2.91Å; D219-R221 VanDerWaalsContact OD1-N 3.09Å; D219-R221 IonicContact OD1-NE 3.13Å; D219-R221 PolarHBondContact OD1-NE 3.18Å; D219-R221 VanDerWaalsContact OD1-NE 3.1Å; D219-R221 IonicContact OD2-CZ 2.88Å; D219-R221 IonicContact OD2-NE 2.72Å; D219-R221 PolarHBondContact OD2-NE 3.35Å; D219-R221 IonicContact OD2-NH2 2.76Å; D219-R221 PolarHBondContact OD2-NH2 2.59Å
220G81.7Confident86.9Confident59 Ų5938.6 Ų38.661%0.60824%0.242SC*.SBendtrans74.76.6178.500000114.5H196H196-G220 PolarHBondContact NE2-O 3.16Å
221R85.6Confident86.5Confident111 Ų11139.1 Ų39.142%0.41925%0.246SC..  trans-73.9153.5170.1-67.5-176.1-67.9-177.6-1.2111.5G197 S217 D219 Q223 L228G197-R221 WeakPolarHBondContact CA-O 3.46Å; S217-R221 WeakPolarHBondContact CB-O 3.05Å; S217-R221 PolarHBondContact OG-N 3.29Å; S217-R221 PolarHBondContact OG-O 2.95Å; S217-R221 VanDerWaalsContact OG-O 3.07Å; D219-R221 VanDerWaalsContact CG-NE 3.27Å; D219-R221 PolarHBondContact O-N 3.5Å; D219-R221 VanDerWaalsContact OD1-CB 3.24Å; D219-R221 WeakPolarHBondContact OD1-CB 3.36Å; D219-R221 VanDerWaalsContact OD1-CG 3.25Å; D219-R221 WeakPolarHBondContact OD1-CG 3.26Å; D219-R221 PolarHBondContact OD1-N 2.91Å; D219-R221 VanDerWaalsContact OD1-N 3.09Å; D219-R221 IonicContact OD1-NE 3.13Å; D219-R221 PolarHBondContact OD1-NE 3.18Å; D219-R221 VanDerWaalsContact OD1-NE 3.1Å; D219-R221 IonicContact OD2-CZ 2.88Å; D219-R221 IonicContact OD2-NE 2.72Å; D219-R221 PolarHBondContact OD2-NE 3.35Å; D219-R221 IonicContact OD2-NH2 2.76Å; D219-R221 PolarHBondContact OD2-NH2 2.59Å; R221-Q223 VanDerWaalsContact C-N 3.27Å; R221-Q223 PolarHBondContact O-N 2.82Å; R221-L228 PolarHBondContact NH2-O 3.21Å
222M88.5Confident86.2Confident30 Ų3039.3 Ų39.315%0.14825%0.249CC..SBendtrans-61.8-33.9176.6179.8-174.17400112.7V152 V164 L166 Y191 G197 S224V152-M222 HydrophobicContact CG1-CE 3.76Å; V152-M222 HydrophobicContact CG2-CE 4.13Å; V152-M222 HydrophobicContact CG2-SD 3.77Å; V164-M222 HydrophobicContact CG1-CE 3.56Å; L166-M222 HydrophobicContact CB-SD 4.35Å; L166-M222 HydrophobicContact CD1-SD 3.98Å; L166-M222 HydrophobicContact CD2-SD 4.47Å; Y191-M222 HydrophobicContact CD2-SD 3.82Å; Y191-M222 HydrophobicContact CE2-CG 4.07Å; Y191-M222 HydrophobicContact CE2-SD 3.63Å; G197-M222 VanDerWaalsContact CA-O 3.28Å; G197-M222 WeakPolarHBondContact CA-O 3.45Å; G197-M222 PolarHBondContact N-O 2.86Å; M222-S224 PolarHBondContact O-N 2.94Å
223Q85.8Confident86Confident36 Ų3640.3 Ų40.317%0.16825%0.254CS..  trans-77.2116.3-176.9-57.581.5-1.900110.8V164 R221 L228V164-Q223 HydrophobicContact CB-CG 4.34Å; V164-Q223 HydrophobicContact CG1-CG 4.27Å; V164-Q223 PolarHBondContact O-NE2 3.46Å; R221-Q223 VanDerWaalsContact C-N 3.27Å; R221-Q223 PolarHBondContact O-N 2.82Å; Q223-L228 HydrophobicContact CB-CD1 4.05Å
224S81.3Confident85.9Confident8 Ų845.3 Ų45.36%0.05628%0.279CS..  trans-88.4-4179.347.60000114.7D199 R215 M222 C226D199-S224 PolarHBondContact OD1-OG 2.87Å; R215-S224 WeakPolarHBondContact CB-O 3.35Å; R215-S224 WeakPolarHBondContact O-CB 3.36Å; M222-S224 PolarHBondContact O-N 2.94Å; S224-C226 PolarHBondContact O-N 2.86Å
225N79.4Confident85.8Confident27 Ų2745.7 Ų45.714%0.14428%0.282CS..  trans-56.4127.9-172.2-68.3-39.6000112.6G161 R215 S227 L228 G230G161-N225 PolarHBondContact N-ND2 3.37Å; R215-N225 PolarHBondContact NH1-OD1 2.63Å; R215-N225 PolarHBondContact NH2-OD1 3.05Å; R215-N225 VanDerWaalsContact NH2-OD1 3.15Å; N225-S227 PolarHBondContact O-N 3.09Å; N225-S227 VanDerWaalsContact O-N 3.08Å; N225-L228 PolarHBondContact O-N 3.1Å; N225-G230 PolarHBondContact O-N 3.47Å
226C73.1Confident85.7Confident34 Ų3451 Ų5123%0.2332%0.318CS..G310 helixtrans-58.8-27.1178.3-52.40000113.4S224 L228 G229 G230 A282S224-C226 PolarHBondContact O-N 2.86Å; C226-L228 PolarHBondContact O-N 3.43Å; C226-L228 VanDerWaalsContact O-N 3.14Å; C226-G229 PolarHBondContact O-N 3.34Å; C226-G229 VanDerWaalsContact O-N 3.13Å; C226-G230 WeakPolarHBondContact CA-O 3.43Å; C226-A282 HydrophobicContact CB-CB 4.12Å
227S72.7Confident85.9Confident67 Ų6750.3 Ų50.347%0.46931%0.313SS..G310 helixtrans-64.3-13.7174.758.20000114.4R160 N225R160-S227 WeakPolarHBondContact CB-OG 3.46Å; N225-S227 PolarHBondContact O-N 3.09Å; N225-S227 VanDerWaalsContact O-N 3.08Å
228L75.1Confident86.1Confident59 Ų5952.6 Ų52.631%0.30933%0.326SS..G310 helixtrans-108.113.6177.2-62.8177.9000112.7R221 Q223 N225 C226R221-L228 PolarHBondContact NH2-O 3.21Å; Q223-L228 HydrophobicContact CB-CD1 4.05Å; N225-L228 PolarHBondContact O-N 3.1Å; C226-L228 PolarHBondContact O-N 3.43Å; C226-L228 VanDerWaalsContact O-N 3.14Å
229G77.7Confident86.5Confident45 Ų4553.6 Ų53.646%0.46432%0.324SS..THydrogen-bonded Turntrans93.76.5-178.500000114.7T218 C226T218-G229 WeakPolarHBondContact CG2-O 3.38Å; T218-G229 PolarHBondContact OG1-O 3.11Å; C226-G229 PolarHBondContact O-N 3.34Å; C226-G229 VanDerWaalsContact O-N 3.13Å
230G83.6Confident87.1Confident13 Ų1355.1 Ų55.113%0.13433%0.329CS..  trans-66.8156.3169.500000112.5C216 N225 C226C216-G230 CarbonylContact O-C 3.59Å; C216-G230 WeakPolarHBondContact O-CA 3.49Å; N225-G230 PolarHBondContact O-N 3.47Å; C226-G230 WeakPolarHBondContact CA-O 3.43Å
231V88.3Confident87.8Confident48 Ų4852.3 Ų52.329%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-103.2136.8178178.70000109.3R215 C216 T218 V233R215-V231 CarbonylContact C-O 3.45Å; R215-V231 WeakPolarHBondContact CA-O 3.4Å; C216-V231 PolarHBondContact N-O 2.97Å; C216-V231 PolarHBondContact O-N 3.24Å; T218-V231 HydrophobicContact CG2-CG2 3.67Å; V231-V233 HydrophobicContact CG1-CG2 4.19Å
232G91.7Very high88.5Confident21 Ų2150.1 Ų50.122%0.21629%0.293CS..EExtended strand (participates in β ladder)trans-108.6130.7174.500000110.8L214L214-G232 WeakPolarHBondContact O-CA 3.41Å
233V93.2Very high88.9Confident29 Ų2953.8 Ų53.818%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-129.1136.8174.9-172.70000108.4M213 L214 V231 C235M213-V233 CarbonylContact C-O 3.53Å; M213-V233 WeakPolarHBondContact CA-O 3.27Å; L214-V233 PolarHBondContact N-O 3.15Å; L214-V233 PolarHBondContact O-N 3.2Å; V231-V233 HydrophobicContact CG1-CG2 4.19Å; V233-C235 PolarHBondContact O-N 3.14Å
234M95.8Very high89.6Confident113 Ų11352.6 Ų52.656%0.55731%0.305SS*.EExtended strand (participates in β ladder)trans-54.7132.4172178.4-170.271.700109.7A286M234-A286 WeakPolarHBondContact CB-O 3.29Å
235C93.9Very high90.4Very high16 Ų1652.2 Ų52.211%0.10830%0.302CS..  trans-128.9143.2175710000110.2S212 L214 V233S212-C235 PolarHBondContact O-N 2.86Å; S212-C235 PolarHBondContact OG-O 3.16Å; L214-C235 HydrophobicContact CB-CB 3.9Å; L214-C235 PolarHBondContact N-SG 2.7Å; L214-C235 VanDerWaalsContact N-SG 3.41Å; V233-C235 PolarHBondContact O-N 3.14Å
236P93.5Very high91.3Very high127 Ų12752 Ų5283%0.82530%0.301SS*.  trans-60.1145.2162.4-19.131.9000110.2
237L96.1Very high92.5Very high14 Ų1453.9 Ų53.97%0.07331%0.306CS..  trans-119.5138172.1-171.665.3000108.9I200 V202 S212 G241 K242 L261 F269I200-L237 HydrophobicContact CD1-CD1 4.15Å; I200-L237 HydrophobicContact CG2-CD1 4.31Å; V202-L237 HydrophobicContact CB-CD2 4.46Å; V202-L237 HydrophobicContact CG1-CD2 4.03Å; V202-L237 HydrophobicContact CG2-CD2 3.53Å; S212-L237 WeakPolarHBondContact OG-CB 3.4Å; L237-G241 VanDerWaalsContact CD2-C 3.49Å; L237-K242 HydrophobicContact CB-CG 4.28Å; L237-K242 HydrophobicContact CD2-CG 3.96Å; L237-K242 HydrophobicContact CG-CG 4.22Å; L237-K242 VanDerWaalsContact O-CE 3.32Å; L237-K242 WeakPolarHBondContact O-CE 3.3Å; L237-L261 HydrophobicContact CD1-CD1 4.49Å; L237-F269 HydrophobicContact CD1-CE1 4.17Å; L237-F269 HydrophobicContact CD1-CE2 4.06Å; L237-F269 HydrophobicContact CD1-CZ 3.75Å
238T97.2Very high93.8Very high73 Ų7350.7 Ų50.745%0.44828%0.284SS..  trans-65.7159.6176.367.90000110.7Q240 G241 K242 F269T238-Q240 PolarHBondContact O-N 2.84Å; T238-G241 PolarHBondContact O-N 3.04Å; T238-G241 VanDerWaalsContact O-N 3.08Å; T238-G241 PolarHBondContact OG1-N 3.14Å; T238-K242 PolarHBondContact O-N 3.41Å; T238-F269 WeakPolarHBondContact OG1-CE2 3.22Å
239E97.3Very high94.9Very high112 Ų11247.9 Ų47.952%0.52327%0.269SS..Hα-helixtrans-58.7-36.8176.6-70.4-53.4125.900112G241 K242 Q243E239-G241 PolarHBondContact O-N 3.35Å; E239-K242 PolarHBondContact O-N 3.3Å; E239-K242 IonicContact OE1-NZ 2.84Å; E239-K242 PolarHBondContact OE1-NZ 3.3Å; E239-Q243 WeakPolarHBondContact O-CB 3.35Å; E239-Q243 VanDerWaalsContact O-CG 3.28Å; E239-Q243 WeakPolarHBondContact O-CG 3.37Å; E239-Q243 PolarHBondContact O-N 2.94Å
240Q96.9Very high95.9Very high115 Ų11550.6 Ų50.654%0.53727%0.273SS..Hα-helixtrans-56.4-48.3173.2-177.9-172.1-2.500111.9T238 Q243 L244T238-Q240 PolarHBondContact O-N 2.84Å; Q240-Q243 PolarHBondContact O-N 2.86Å; Q240-L244 WeakPolarHBondContact O-CB 3.21Å; Q240-L244 PolarHBondContact O-N 3Å
241G98Very high96.6Very high0 Ų052 Ų520%028%0.277CS..Hα-helixtrans-65.5-38.1178.800000112.8L237 T238 E239 A245L237-G241 VanDerWaalsContact CD2-C 3.49Å; T238-G241 PolarHBondContact O-N 3.04Å; T238-G241 VanDerWaalsContact O-N 3.08Å; T238-G241 PolarHBondContact OG1-N 3.14Å; E239-G241 PolarHBondContact O-N 3.35Å; G241-A245 PolarHBondContact O-N 2.8Å
242K98.6Very high97Very high65 Ų6549.9 Ų49.928%0.28326%0.264SS..Hα-helixtrans-65-47.7175.7-67.1178.7-169.1165.80111.7V209 L237 T238 E239 L244 A245 I246V209-K242 HydrophobicContact CB-CG 4.36Å; V209-K242 HydrophobicContact CG1-CG 4.36Å; V209-K242 HydrophobicContact CG2-CB 3.98Å; V209-K242 HydrophobicContact CG2-CG 4.18Å; L237-K242 HydrophobicContact CB-CG 4.28Å; L237-K242 HydrophobicContact CD2-CG 3.96Å; L237-K242 HydrophobicContact CG-CG 4.22Å; L237-K242 VanDerWaalsContact O-CE 3.32Å; L237-K242 WeakPolarHBondContact O-CE 3.3Å; T238-K242 PolarHBondContact O-N 3.41Å; E239-K242 PolarHBondContact O-N 3.3Å; E239-K242 IonicContact OE1-NZ 2.84Å; E239-K242 PolarHBondContact OE1-NZ 3.3Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 3.18Å; K242-A245 PolarHBondContact O-N 2.78Å; K242-I246 WeakPolarHBondContact O-CG1 3.48Å; K242-I246 PolarHBondContact O-N 3.4Å
243Q98.5Very high97.3Very high107 Ų10750.6 Ų50.650%0.527%0.272SS..Hα-helixtrans-62.2-40.4178.5-68.7-56.2-3100111.3E239 Q240 A245 I246 Q247E239-Q243 WeakPolarHBondContact O-CB 3.35Å; E239-Q243 VanDerWaalsContact O-CG 3.28Å; E239-Q243 WeakPolarHBondContact O-CG 3.37Å; E239-Q243 PolarHBondContact O-N 2.94Å; Q240-Q243 PolarHBondContact O-N 2.86Å; Q243-A245 PolarHBondContact O-N 3.21Å; Q243-I246 PolarHBondContact O-N 2.7Å; Q243-Q247 VanDerWaalsContact O-CB 3.26Å; Q243-Q247 WeakPolarHBondContact O-CB 3.31Å; Q243-Q247 PolarHBondContact O-N 2.66Å
244L98.7Very high97.5Very high12 Ų1249.7 Ų49.76%0.06327%0.266CS..Hα-helixtrans-59.1-47.6173.9178.959000111.7V123 P124 Q240 K242 I246 Q247 V248 L261 F269 V271V123-L244 HydrophobicContact CG1-CD1 4.05Å; P124-L244 HydrophobicContact CG-CD1 4.03Å; P124-L244 HydrophobicContact CG-CD2 4.02Å; Q240-L244 WeakPolarHBondContact O-CB 3.21Å; Q240-L244 PolarHBondContact O-N 3Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 3.18Å; L244-I246 PolarHBondContact O-N 3.15Å; L244-Q247 PolarHBondContact O-N 3.03Å; L244-V248 HydrophobicContact CD1-CG2 4.29Å; L244-V248 VanDerWaalsContact O-CG2 3.26Å; L244-V248 WeakPolarHBondContact O-CG2 3.3Å; L244-V248 PolarHBondContact O-N 3.37Å; L244-L261 HydrophobicContact CD2-CD2 3.86Å; L244-L261 HydrophobicContact CG-CD2 4.3Å; L244-F269 HydrophobicContact CD2-CB 3.87Å; L244-V271 HydrophobicContact CD1-CG2 3.93Å; L244-V271 HydrophobicContact CD2-CG2 4.07Å; L244-V271 HydrophobicContact CG-CG2 4.04Å
245A98.8Very high97.6Very high0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-63.4-40.3178.600000112.6V202 V204 V209 G241 K242 Q243 S249 I259V202-A245 HydrophobicContact CB-CB 3.99Å; V202-A245 HydrophobicContact CG1-CB 3.68Å; V202-A245 HydrophobicContact CG2-CB 4.36Å; V204-A245 HydrophobicContact CG2-CB 4.07Å; V209-A245 HydrophobicContact CG2-CB 4.39Å; G241-A245 PolarHBondContact O-N 2.8Å; K242-A245 PolarHBondContact O-N 2.78Å; Q243-A245 PolarHBondContact O-N 3.21Å; A245-S249 WeakPolarHBondContact O-CB 3.06Å; A245-S249 PolarHBondContact O-N 3.29Å; A245-I259 HydrophobicContact CB-CB 4.29Å; A245-I259 HydrophobicContact CB-CG1 4.26Å
246I98.8Very high97.8Very high23 Ų2344 Ų4412%0.11824%0.237CC..Hα-helixtrans-65.5-45175.7-67.5166.1000110.6V209 K242 Q243 L244 V248 S249 N250V209-I246 HydrophobicContact CG2-CD1 4.15Å; V209-I246 HydrophobicContact CG2-CG1 3.94Å; K242-I246 WeakPolarHBondContact O-CG1 3.48Å; K242-I246 PolarHBondContact O-N 3.4Å; Q243-I246 PolarHBondContact O-N 2.7Å; L244-I246 PolarHBondContact O-N 3.15Å; I246-V248 PolarHBondContact O-N 2.85Å; I246-S249 WeakPolarHBondContact O-CB 3.16Å; I246-S249 PolarHBondContact O-N 2.89Å; I246-N250 WeakPolarHBondContact O-CB 3.13Å; I246-N250 PolarHBondContact O-N 2.88Å; I246-N250 PolarHBondContact O-ND2 3.07Å
247Q98.7Very high98Very high73 Ų7338 Ų3834%0.34120%0.197SC..Hα-helixtrans-58.2-48.3177.6-179.1-176.81.800111.2H121 V123 Q243 L244 S249 N250 I251H121-Q247 PolarHBondContact O-NE2 2.86Å; V123-Q247 HydrophobicContact CG2-CG 4.38Å; Q243-Q247 VanDerWaalsContact O-CB 3.26Å; Q243-Q247 WeakPolarHBondContact O-CB 3.31Å; Q243-Q247 PolarHBondContact O-N 2.66Å; L244-Q247 PolarHBondContact O-N 3.03Å; Q247-S249 PolarHBondContact O-N 3.43Å; Q247-N250 PolarHBondContact O-N 2.69Å; Q247-I251 HydrophobicContact CG-CD1 3.78Å; Q247-I251 WeakPolarHBondContact O-CG1 3Å; Q247-I251 PolarHBondContact O-N 2.63Å
248V98.7Very high98.1Very high0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-59.7-45.5176.1172.40000111.1L118 V123 L244 I246 N250 I251 L252 I259 V271 A274L118-V248 HydrophobicContact CD1-CG1 4.25Å; L118-V248 HydrophobicContact CD2-CB 4.33Å; L118-V248 HydrophobicContact CD2-CG1 4.05Å; L118-V248 HydrophobicContact CD2-CG2 4.17Å; V123-V248 HydrophobicContact CG1-CG2 3.9Å; L244-V248 HydrophobicContact CD1-CG2 4.29Å; L244-V248 VanDerWaalsContact O-CG2 3.26Å; L244-V248 WeakPolarHBondContact O-CG2 3.3Å; L244-V248 PolarHBondContact O-N 3.37Å; I246-V248 PolarHBondContact O-N 2.85Å; V248-N250 VanDerWaalsContact C-N 3.29Å; V248-N250 PolarHBondContact O-N 3.15Å; V248-I251 PolarHBondContact O-N 3.28Å; V248-L252 HydrophobicContact CG1-CD1 3.73Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 WeakPolarHBondContact O-CG 3.11Å; V248-L252 PolarHBondContact O-N 3.5Å; V248-L252 VanDerWaalsContact O-N 3.08Å; V248-I259 HydrophobicContact CB-CD1 4.31Å; V248-I259 HydrophobicContact CG1-CD1 3.59Å; V248-I259 HydrophobicContact CG1-CG1 4.3Å; V248-I259 HydrophobicContact CG1-CG2 4.32Å; V248-V271 HydrophobicContact CG2-CG1 4.37Å; V248-V271 HydrophobicContact CG2-CG2 3.63Å; V248-A274 HydrophobicContact CG1-CB 4.3Å
249S98.5Very high98.1Very high0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-58-42176.4-1670000112.1A245 I246 Q247 G253 M254 C257A245-S249 WeakPolarHBondContact O-CB 3.06Å; A245-S249 PolarHBondContact O-N 3.29Å; I246-S249 WeakPolarHBondContact O-CB 3.16Å; I246-S249 PolarHBondContact O-N 2.89Å; Q247-S249 PolarHBondContact O-N 3.43Å; S249-G253 PolarHBondContact O-N 2.64Å; S249-G253 VanDerWaalsContact O-N 3.11Å; S249-M254 PolarHBondContact O-N 3.32Å; S249-M254 PolarHBondContact OG-O 2.83Å; S249-C257 PolarHBondContact OG-SG 3.49Å; S249-C257 VanDerWaalsContact OG-SG 3.4Å
250N98.3Very high98.1Very high101 Ų10128.7 Ų28.754%0.5415%0.149SC..Hα-helixtrans-70.8-45.7-178.5-70.5-18000112.3I246 Q247 V248 L252 G253I246-N250 WeakPolarHBondContact O-CB 3.13Å; I246-N250 PolarHBondContact O-N 2.88Å; I246-N250 PolarHBondContact O-ND2 3.07Å; Q247-N250 PolarHBondContact O-N 2.69Å; V248-N250 VanDerWaalsContact C-N 3.29Å; V248-N250 PolarHBondContact O-N 3.15Å; N250-L252 VanDerWaalsContact C-N 3.3Å; N250-L252 PolarHBondContact O-N 3.18Å; N250-G253 PolarHBondContact O-N 2.93Å
251I98.4Very high98.2Very high43 Ų4323.2 Ų23.222%0.22112%0.123CC..Hα-helixtrans-59.1-45.1177.7-67.7161.7000110.2E117 L118 H121 V123 Q247 V248 G253E117-I251 VanDerWaalsContact O-CG2 3.29Å; E117-I251 WeakPolarHBondContact O-CG2 3.44Å; L118-I251 HydrophobicContact CD2-CB 4.1Å; L118-I251 HydrophobicContact CD2-CD1 4.07Å; L118-I251 HydrophobicContact CD2-CG2 3.95Å; H121-I251 HydrophobicContact CB-CD1 3.51Å; H121-I251 HydrophobicContact CB-CG1 4.38Å; V123-I251 HydrophobicContact CG2-CD1 3.6Å; Q247-I251 HydrophobicContact CG-CD1 3.78Å; Q247-I251 WeakPolarHBondContact O-CG1 3Å; Q247-I251 PolarHBondContact O-N 2.63Å; V248-I251 PolarHBondContact O-N 3.28Å; I251-G253 PolarHBondContact O-N 2.84Å
252L97.9Very high98.2Very high3 Ų324.3 Ų24.32%0.01613%0.129CC..THydrogen-bonded Turntrans-80.10.8-179.9-60.3174.5000113.3S104 N107 T114 E117 L118 V248 N250 M254 A274S104-L252 WeakPolarHBondContact CA-O 3.47Å; S104-L252 VanDerWaalsContact CB-O 3.25Å; S104-L252 WeakPolarHBondContact CB-O 3.42Å; N107-L252 HydrophobicContact CB-CD2 4.11Å; T114-L252 HydrophobicContact CG2-CD1 3.8Å; T114-L252 HydrophobicContact CG2-CD2 4.32Å; E117-L252 HydrophobicContact CB-CD2 3.65Å; E117-L252 HydrophobicContact CG-CD2 4.33Å; L118-L252 HydrophobicContact CD2-CD1 4.35Å; L118-L252 HydrophobicContact CD2-CD2 4.31Å; L118-L252 HydrophobicContact CD2-CG 4.1Å; L118-L252 HydrophobicContact CG-CD2 4.41Å; V248-L252 HydrophobicContact CG1-CD1 3.73Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 WeakPolarHBondContact O-CG 3.11Å; V248-L252 PolarHBondContact O-N 3.5Å; V248-L252 VanDerWaalsContact O-N 3.08Å; N250-L252 VanDerWaalsContact C-N 3.3Å; N250-L252 PolarHBondContact O-N 3.18Å; L252-M254 VanDerWaalsContact C-N 3.28Å; L252-M254 HydrophobicContact CB-CE 3.9Å; L252-M254 HydrophobicContact CB-CG 4.1Å; L252-M254 HydrophobicContact CB-SD 4.43Å; L252-M254 HydrophobicContact CD1-CE 3.71Å; L252-M254 HydrophobicContact CG-CE 4.43Å; L252-M254 PolarHBondContact O-N 3.1Å; L252-A274 HydrophobicContact CD1-CB 3.5Å; L252-A274 VanDerWaalsContact CD1-CB 3.5Å
253G97Very high98.1Very high37 Ų3722.5 Ų22.538%0.38112%0.122SC..THydrogen-bonded Turntrans60.433.2178.500000114S104 S249 N250 I251S104-G253 WeakPolarHBondContact CB-O 2.96Å; S104-G253 PolarHBondContact OG-O 3.11Å; S249-G253 PolarHBondContact O-N 2.64Å; S249-G253 VanDerWaalsContact O-N 3.11Å; N250-G253 PolarHBondContact O-N 2.93Å; I251-G253 PolarHBondContact O-N 2.84Å
254M97.9Very high98Very high9 Ų919.9 Ų19.94%0.04411%0.11CC..  trans-90.3128.3-178.6-64.2-174.8-66.300111.2N100 S249 L252 C257 I259 A274 A276N100-M254 WeakPolarHBondContact OD1-CA 3.39Å; S249-M254 PolarHBondContact O-N 3.32Å; S249-M254 PolarHBondContact OG-O 2.83Å; L252-M254 VanDerWaalsContact C-N 3.28Å; L252-M254 HydrophobicContact CB-CE 3.9Å; L252-M254 HydrophobicContact CB-CG 4.1Å; L252-M254 HydrophobicContact CB-SD 4.43Å; L252-M254 HydrophobicContact CD1-CE 3.71Å; L252-M254 HydrophobicContact CG-CE 4.43Å; L252-M254 PolarHBondContact O-N 3.1Å; M254-C257 HydrophobicContact CB-CB 3.93Å; M254-C257 HydrophobicContact CE-CB 3.46Å; M254-C257 VanDerWaalsContact CE-CB 3.46Å; M254-C257 VanDerWaalsContact CE-SG 3.5Å; M254-C257 HydrophobicContact CG-CB 4.27Å; M254-C257 HydrophobicContact SD-CB 3.37Å; M254-C257 WeakPolarHBondContact SD-CB 3.41Å; M254-I259 HydrophobicContact CE-CD1 3.71Å; M254-A274 HydrophobicContact CE-CB 4.06Å; M254-A276 HydrophobicContact SD-CB 3.93Å
255D98.3Very high97.8Very high10 Ų1025.4 Ų25.45%0.05314%0.14CC..SBendtrans-75.1-40.6171.7-74.4-65.7000112.5R97 V99 N100 V205 G206 Y298R97-D255 IonicContact CZ-OD1 2.87Å; R97-D255 IonicContact CZ-OD2 3.47Å; R97-D255 IonicContact NH1-OD1 2.59Å; R97-D255 IonicContact NH1-OD2 3.16Å; R97-D255 PolarHBondContact NH1-OD2 3.06Å; R97-D255 IonicContact NH2-OD1 2.95Å; R97-D255 PolarHBondContact NH2-OD1 3.35Å; R97-D255 IonicContact NH2-OD2 3.8Å; R97-D255 PolarHBondContact NH2-OD2 3.41Å; V99-D255 HydrophobicContact CG1-CB 3.67Å; N100-D255 WeakPolarHBondContact OD1-CA 3.08Å; N100-D255 VanDerWaalsContact OD1-CB 3.3Å; N100-D255 WeakPolarHBondContact OD1-CB 3.44Å; N100-D255 PolarHBondContact OD1-N 2.87Å; V205-D255 CarbonylContact C-O 3.35Å; V205-D255 WeakPolarHBondContact CA-O 3.34Å; G206-D255 PolarHBondContact N-O 2.98Å; D255-Y298 HydrophobicContact CB-CE1 3.7Å; D255-Y298 PolarHBondContact OD1-OH 2.74Å
256F97.4Very high97.6Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-146.1138.2171.374.2-78.7000110.2V99 N100 V204 V205 V278 I295V99-F256 HydrophobicContact CG1-CD1 3.89Å; V99-F256 HydrophobicContact CG1-CE1 4.04Å; N100-F256 PolarHBondContact ND2-O 3.47Å; N100-F256 PolarHBondContact OD1-N 2.86Å; V204-F256 CarbonylContact O-C 3.57Å; V204-F256 WeakPolarHBondContact O-CA 3Å; V205-F256 HydrophobicContact CB-CB 4.43Å; V205-F256 HydrophobicContact CG1-CB 4.3Å; V205-F256 HydrophobicContact CG2-CB 4.08Å; F256-V278 HydrophobicContact CD2-CG1 4.24Å; F256-I295 HydrophobicContact CB-CG1 4.47Å; F256-I295 HydrophobicContact CD2-CD1 3.73Å; F256-I295 HydrophobicContact CD2-CG1 4.24Å; F256-I295 HydrophobicContact CE2-CD1 4.06Å; F256-I295 HydrophobicContact CG-CD1 4.35Å; F256-I295 HydrophobicContact CG-CG1 4.38Å
257C97.8Very high97.3Very high0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-160.4168.4-172.763.10000112.6V203 V204 S249 M254 I259 N275V203-C257 WeakPolarHBondContact CA-O 3.43Å; V204-C257 PolarHBondContact N-O 3.28Å; V204-C257 PolarHBondContact O-N 3.31Å; S249-C257 PolarHBondContact OG-SG 3.49Å; S249-C257 VanDerWaalsContact OG-SG 3.4Å; M254-C257 HydrophobicContact CB-CB 3.93Å; M254-C257 HydrophobicContact CE-CB 3.46Å; M254-C257 VanDerWaalsContact CE-CB 3.46Å; M254-C257 VanDerWaalsContact CE-SG 3.5Å; M254-C257 HydrophobicContact CG-CB 4.27Å; M254-C257 HydrophobicContact SD-CB 3.37Å; M254-C257 WeakPolarHBondContact SD-CB 3.41Å; C257-I259 HydrophobicContact CB-CD1 4.45Å; C257-N275 VanDerWaalsContact CA-O 3.28Å; C257-N275 WeakPolarHBondContact CA-O 3.33Å; C257-N275 WeakPolarHBondContact CB-O 2.68Å
258G97.7Very high97.2Very high0 Ų029.3 Ų29.30%017%0.174CC..EExtended strand (participates in β ladder)trans-114124.9165.700000110V202 N275V202-G258 CarbonylContact O-C 3.56Å; V202-G258 VanDerWaalsContact O-CA 3.31Å; V202-G258 WeakPolarHBondContact O-CA 3.17Å; G258-N275 PolarHBondContact N-O 3.21Å; G258-N275 WeakPolarHBondContact O-CB 3.37Å; G258-N275 PolarHBondContact O-N 2.81Å
259I98.4Very high97.1Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-106.3125.3175.1-51.3-52.8000108.1V202 A245 V248 M254 C257 L261 V271 A274V202-I259 PolarHBondContact N-O 3.4Å; V202-I259 PolarHBondContact O-N 2.92Å; A245-I259 HydrophobicContact CB-CB 4.29Å; A245-I259 HydrophobicContact CB-CG1 4.26Å; V248-I259 HydrophobicContact CB-CD1 4.31Å; V248-I259 HydrophobicContact CG1-CD1 3.59Å; V248-I259 HydrophobicContact CG1-CG1 4.3Å; V248-I259 HydrophobicContact CG1-CG2 4.32Å; M254-I259 HydrophobicContact CE-CD1 3.71Å; C257-I259 HydrophobicContact CB-CD1 4.45Å; I259-L261 HydrophobicContact CG2-CD2 3.84Å; I259-L261 HydrophobicContact CG2-CG 4.42Å; I259-V271 HydrophobicContact CG2-CG1 4.39Å; I259-A274 HydrophobicContact CD1-CB 3.85Å
260D97.7Very high97.1Very high5 Ų530.6 Ų30.63%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-95.5123.1174.6-73.3-14.5000109.3I200 R201 R215 C272 E273I200-D260 WeakPolarHBondContact O-CA 3.41Å; R201-D260 WeakPolarHBondContact CD-OD1 3.47Å; R201-D260 IonicContact CZ-OD1 3.25Å; R201-D260 IonicContact CZ-OD2 3.1Å; R201-D260 IonicContact NE-OD1 3.74Å; R201-D260 PolarHBondContact NE-OD1 3.29Å; R201-D260 IonicContact NE-OD2 2.61Å; R201-D260 IonicContact NH2-OD1 3.93Å; R201-D260 PolarHBondContact NH2-OD1 2.86Å; R201-D260 IonicContact NH2-OD2 3.47Å; R201-D260 PolarHBondContact NH2-OD2 2.81Å; R215-D260 IonicContact CZ-OD1 2.83Å; R215-D260 IonicContact CZ-OD2 3.73Å; R215-D260 IonicContact NH2-OD1 3.41Å; R215-D260 PolarHBondContact NH2-OD1 3.43Å; R215-D260 VanDerWaalsContact NH2-OD1 3.16Å; R215-D260 IonicContact NH2-OD2 3.8Å; R215-D260 PolarHBondContact NH2-OD2 2.88Å; D260-C272 HydrophobicContact CB-CB 4.01Å; D260-C272 VanDerWaalsContact O-CB 3.31Å; D260-C272 WeakPolarHBondContact O-CB 3.34Å; D260-C272 PolarHBondContact O-N 3.12Å; D260-E273 HydrophobicContact CB-CB 4.15Å; D260-E273 PolarHBondContact N-O 2.84Å; D260-E273 PolarHBondContact O-N 3.48Å
261L98.4Very high97.1Very high0 Ų025.8 Ų25.80%016%0.155CC..EExtended strand (participates in β ladder)trans-111.5135.4179.1-58.6-179.1000110.2I200 V202 L237 L244 I259 F269 V270 V271I200-L261 HydrophobicContact CB-CB 4.45Å; I200-L261 PolarHBondContact N-O 3.33Å; I200-L261 PolarHBondContact O-N 3.43Å; V202-L261 HydrophobicContact CG2-CD1 3.77Å; V202-L261 HydrophobicContact CG2-CG 4.21Å; L237-L261 HydrophobicContact CD1-CD1 4.49Å; L244-L261 HydrophobicContact CD2-CD2 3.86Å; L244-L261 HydrophobicContact CG-CD2 4.3Å; I259-L261 HydrophobicContact CG2-CD2 3.84Å; I259-L261 HydrophobicContact CG2-CG 4.42Å; L261-F269 HydrophobicContact CB-CB 4.31Å; L261-F269 HydrophobicContact CB-CD1 4.18Å; L261-F269 HydrophobicContact CD1-CB 4.22Å; L261-F269 HydrophobicContact CD1-CD1 4.36Å; L261-F269 HydrophobicContact CD1-CG 4.19Å; L261-V270 WeakPolarHBondContact CA-O 3.46Å; L261-V271 HydrophobicContact CD2-CG2 4.11Å
262L97.8Very high97Very high22 Ų2224.6 Ų24.612%0.11515%0.15CC..EExtended strand (participates in β ladder)trans-93.7147.5166.5-54.1176.6000109.5P126 V192 S195 D199 F269 V270 C272P126-L262 HydrophobicContact CG-CD1 4.22Å; V192-L262 HydrophobicContact CB-CB 4.37Å; V192-L262 HydrophobicContact CB-CD1 3.97Å; V192-L262 HydrophobicContact CG1-CB 4.27Å; V192-L262 HydrophobicContact CG2-CB 4.44Å; V192-L262 HydrophobicContact CG2-CD1 3.69Å; S195-L262 WeakPolarHBondContact OG-CA 3.19Å; D199-L262 HydrophobicContact CB-CD2 4.07Å; L262-F269 VanDerWaalsContact O-CA 3.32Å; L262-F269 WeakPolarHBondContact O-CA 3.31Å; L262-V270 HydrophobicContact CB-CG2 3.73Å; L262-V270 HydrophobicContact CD1-CG2 4.33Å; L262-V270 HydrophobicContact CG-CG2 4.4Å; L262-V270 PolarHBondContact N-O 3.4Å; L262-V270 PolarHBondContact O-N 2.72Å; L262-V270 VanDerWaalsContact O-N 3.11Å; L262-C272 HydrophobicContact CD1-CB 4.27Å; L262-C272 HydrophobicContact CD2-CB 4.1Å; L262-C272 HydrophobicContact CG-CB 3.84Å
263I97.1Very high96.9Very high27 Ų2726.3 Ų26.314%0.13816%0.158CC..EExtended strand (participates in β ladder)trans-96130.9-177.5-54.2161.3000108.7V192 E194 S195 K198 I200 L214 F269V192-I263 WeakPolarHBondContact CG1-O 3.43Å; E194-I263 WeakPolarHBondContact CB-O 3.36Å; S195-I263 PolarHBondContact OG-N 2.58Å; S195-I263 VanDerWaalsContact OG-N 3.1Å; K198-I263 HydrophobicContact CD-CD1 4.15Å; K198-I263 HydrophobicContact CG-CD1 4.42Å; I200-I263 HydrophobicContact CD1-CD1 4.18Å; I200-I263 HydrophobicContact CD1-CG1 4.17Å; I200-I263 HydrophobicContact CG1-CD1 4.22Å; I200-I263 HydrophobicContact CG1-CG1 4.36Å; L214-I263 HydrophobicContact CD1-CD1 4.18Å; I263-F269 HydrophobicContact CG1-CD1 4.39Å; I263-F269 HydrophobicContact CG1-CE1 4.12Å
264M96.8Very high96.8Very high53 Ų5324.7 Ų24.726%0.26114%0.141SC..PPolyproline II helixtrans-93169.7174.8-58.7-61.5-6800111.5V192 D266 G267 S268 V270V192-M264 HydrophobicContact CG1-SD 3.64Å; V192-M264 HydrophobicContact CG2-SD 4.38Å; M264-D266 VanDerWaalsContact C-N 3.35Å; M264-D266 WeakPolarHBondContact CB-OD1 3.03Å; M264-G267 PolarHBondContact O-N 3.45Å; M264-S268 WeakPolarHBondContact CB-OG 3.44Å; M264-S268 PolarHBondContact N-O 3.25Å; M264-V270 HydrophobicContact CG-CG1 3.96Å; M264-V270 HydrophobicContact SD-CG1 3.71Å; M264-V270 HydrophobicContact SD-CG2 3.99Å
265D94.3Very high96.7Very high128 Ų12825.8 Ų25.868%0.68415%0.147SC*.THydrogen-bonded Turntrans-66.3-33.9-179.256.9-14000113.6E194 G267E194-D265 HydrophobicContact CG-CB 3.76Å; D265-G267 PolarHBondContact O-N 3.47Å
266D93.6Very high96.5Very high118 Ų11825.3 Ų25.363%0.63115%0.145SC*.THydrogen-bonded Turntrans-78.51.7174.571.7-10.3000113.9M264 S268M264-D266 VanDerWaalsContact C-N 3.35Å; M264-D266 WeakPolarHBondContact CB-OD1 3.03Å; D266-S268 VanDerWaalsContact C-N 3.28Å; D266-S268 PolarHBondContact O-N 3.06Å; D266-S268 WeakPolarHBondContact OD1-CB 3.15Å; D266-S268 PolarHBondContact OD1-N 3.25Å; D266-S268 PolarHBondContact OD1-OG 2.7Å; D266-S268 PolarHBondContact OD2-OG 3Å
267G91.8Very high96.2Very high38 Ų3826.2 Ų26.239%0.39215%0.15SC..SBendtrans79.82.7-17700000114.8M264 D265M264-G267 PolarHBondContact O-N 3.45Å; D265-G267 PolarHBondContact O-N 3.47Å
268S96.8Very high96Very high22 Ų2226.3 Ų26.315%0.15415%0.15CC..  trans-74.5176.6170.375.10000111.9M264 D266M264-S268 WeakPolarHBondContact CB-OG 3.44Å; M264-S268 PolarHBondContact N-O 3.25Å; D266-S268 VanDerWaalsContact C-N 3.28Å; D266-S268 PolarHBondContact O-N 3.06Å; D266-S268 WeakPolarHBondContact OD1-CB 3.15Å; D266-S268 PolarHBondContact OD1-N 3.25Å; D266-S268 PolarHBondContact OD1-OG 2.7Å; D266-S268 PolarHBondContact OD2-OG 3Å
269F98.3Very high95.7Very high13 Ų1328.7 Ų28.76%0.05718%0.175CC..EExtended strand (participates in β ladder)trans-128.1144.6-175.5-56.2-77.6000111.8P124 I200 L237 T238 L244 L261 L262 I263P124-F269 VanDerWaalsContact CG-O 3.25Å; P124-F269 WeakPolarHBondContact CG-O 3.41Å; I200-F269 HydrophobicContact CD1-CE1 3.67Å; I200-F269 HydrophobicContact CD1-CZ 4.34Å; L237-F269 HydrophobicContact CD1-CE1 4.17Å; L237-F269 HydrophobicContact CD1-CE2 4.06Å; L237-F269 HydrophobicContact CD1-CZ 3.75Å; T238-F269 WeakPolarHBondContact OG1-CE2 3.22Å; L244-F269 HydrophobicContact CD2-CB 3.87Å; L261-F269 HydrophobicContact CB-CB 4.31Å; L261-F269 HydrophobicContact CB-CD1 4.18Å; L261-F269 HydrophobicContact CD1-CB 4.22Å; L261-F269 HydrophobicContact CD1-CD1 4.36Å; L261-F269 HydrophobicContact CD1-CG 4.19Å; L262-F269 VanDerWaalsContact O-CA 3.32Å; L262-F269 WeakPolarHBondContact O-CA 3.31Å; I263-F269 HydrophobicContact CG1-CD1 4.39Å; I263-F269 HydrophobicContact CG1-CE1 4.12Å
270V98.3Very high95.5Very high14 Ų1428.7 Ų28.79%0.08518%0.175CC..EExtended strand (participates in β ladder)trans-120.2147167.4-59.30000109.5P124 P126 V192 L261 L262 M264P124-V270 HydrophobicContact CB-CG1 4.14Å; P124-V270 CarbonylContact O-C 3.55Å; P124-V270 WeakPolarHBondContact O-CA 3.49Å; P126-V270 HydrophobicContact CG-CB 4.44Å; P126-V270 HydrophobicContact CG-CG2 3.84Å; V192-V270 HydrophobicContact CG2-CG2 4.11Å; L261-V270 WeakPolarHBondContact CA-O 3.46Å; L262-V270 HydrophobicContact CB-CG2 3.73Å; L262-V270 HydrophobicContact CD1-CG2 4.33Å; L262-V270 HydrophobicContact CG-CG2 4.4Å; L262-V270 PolarHBondContact N-O 3.4Å; L262-V270 PolarHBondContact O-N 2.72Å; L262-V270 VanDerWaalsContact O-N 3.11Å; M264-V270 HydrophobicContact CG-CG1 3.96Å; M264-V270 HydrophobicContact SD-CG1 3.71Å; M264-V270 HydrophobicContact SD-CG2 3.99Å
271V98.4Very high95.2Very high0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-78.5125.5-178.6-178.30000110.1L118 V123 P124 M125 P126 L244 V248 I259 L261L118-V271 HydrophobicContact CD1-CG1 4.18Å; V123-V271 HydrophobicContact CG1-CB 4.29Å; V123-V271 HydrophobicContact CG1-CG2 3.56Å; P124-V271 PolarHBondContact O-N 3.25Å; M125-V271 HydrophobicContact CG-CB 4.21Å; P126-V271 WeakPolarHBondContact CD-O 3.38Å; L244-V271 HydrophobicContact CD1-CG2 3.93Å; L244-V271 HydrophobicContact CD2-CG2 4.07Å; L244-V271 HydrophobicContact CG-CG2 4.04Å; V248-V271 HydrophobicContact CG2-CG1 4.37Å; V248-V271 HydrophobicContact CG2-CG2 3.63Å; I259-V271 HydrophobicContact CG2-CG1 4.39Å; L261-V271 HydrophobicContact CD2-CG2 4.11Å
272C95.9Very high94.9Very high17 Ų1733.7 Ų33.712%0.11521%0.206CC..EExtended strand (participates in β ladder)trans-93.7-48.1177.5-165.80000112.2F115 D260 L262F115-C272 WeakPolarHBondContact CZ-O 3.28Å; D260-C272 HydrophobicContact CB-CB 4.01Å; D260-C272 VanDerWaalsContact O-CB 3.31Å; D260-C272 WeakPolarHBondContact O-CB 3.34Å; D260-C272 PolarHBondContact O-N 3.12Å; L262-C272 HydrophobicContact CD1-CB 4.27Å; L262-C272 HydrophobicContact CD2-CB 4.1Å; L262-C272 HydrophobicContact CG-CB 3.84Å
273E95Very high94.7Very high39 Ų3932.8 Ų32.818%0.18220%0.201CC..EExtended strand (participates in β ladder)trans-160.7148.3-171-167.9177.8118.200110.7K111 D260 N275K111-E273 WeakPolarHBondContact CE-OE2 3.44Å; D260-E273 HydrophobicContact CB-CB 4.15Å; D260-E273 PolarHBondContact N-O 2.84Å; D260-E273 PolarHBondContact O-N 3.48Å; E273-N275 PolarHBondContact OE1-ND2 2.87Å; E273-N275 PolarHBondContact OE1-OD1 2.83Å
274A96.3Very high94.5Very high3 Ų332.3 Ų32.33%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-119.9137.5170.900000110.6T114 V248 L252 M254 I259T114-A274 HydrophobicContact CG2-CB 3.78Å; V248-A274 HydrophobicContact CG1-CB 4.3Å; L252-A274 HydrophobicContact CD1-CB 3.5Å; L252-A274 VanDerWaalsContact CD1-CB 3.5Å; M254-A274 HydrophobicContact CE-CB 4.06Å; I259-A274 HydrophobicContact CD1-CB 3.85Å
275N95.3Very high94.2Very high32 Ų3236.3 Ų36.317%0.17122%0.217CC..EExtended strand (participates in β ladder)trans-125.699.8-174-76-90.8000111.7R201 C257 G258 E273 N277 V278R201-N275 PolarHBondContact NH1-ND2 3.45Å; R201-N275 PolarHBondContact NH2-ND2 3.32Å; C257-N275 VanDerWaalsContact CA-O 3.28Å; C257-N275 WeakPolarHBondContact CA-O 3.33Å; C257-N275 WeakPolarHBondContact CB-O 2.68Å; G258-N275 PolarHBondContact N-O 3.21Å; G258-N275 WeakPolarHBondContact O-CB 3.37Å; G258-N275 PolarHBondContact O-N 2.81Å; E273-N275 PolarHBondContact OE1-ND2 2.87Å; E273-N275 PolarHBondContact OE1-OD1 2.83Å; N275-N277 VanDerWaalsContact C-N 3.27Å; N275-N277 PolarHBondContact O-N 3.08Å; N275-V278 PolarHBondContact O-N 3.37Å
276A93.9Very high94.1Very high0 Ų031.7 Ų31.70%020%0.196CC..THydrogen-bonded Turntrans-66.1-21.4176.800000114.5N100 I105 C108 M254N100-A276 PolarHBondContact ND2-O 3.28Å; I105-A276 HydrophobicContact CG1-CB 4.36Å; C108-A276 HydrophobicContact CB-CB 3.89Å; M254-A276 HydrophobicContact SD-CB 3.93Å
277N90.9Very high94.1Very high20 Ų2026.7 Ų26.711%0.10717%0.171CC..THydrogen-bonded Turntrans-12262.1171.3-70.8-80000110.7V72 R73 V74 T76 N275 G279V72-N277 PolarHBondContact O-OD1 3.11Å; R73-N277 VanDerWaalsContact NH1-C 3.33Å; R73-N277 PolarHBondContact NH1-OD1 3.2Å; V74-N277 VanDerWaalsContact O-CG 3.3Å; V74-N277 PolarHBondContact O-ND2 3.14Å; T76-N277 WeakPolarHBondContact OG1-CB 3.2Å; T76-N277 PolarHBondContact OG1-ND2 3.16Å; N275-N277 VanDerWaalsContact C-N 3.27Å; N275-N277 PolarHBondContact O-N 3.08Å; N277-G279 PolarHBondContact O-N 2.57Å
278V92.8Very high94.2Very high1 Ų132 Ų321%0.00619%0.19CC..  trans-53.4135.8179.961.90000111.7R73 V203 F256 N275R73-V278 PolarHBondContact NH1-O 2.64Å; R73-V278 PolarHBondContact NH2-O 3.38Å; V203-V278 HydrophobicContact CG2-CG2 4.41Å; F256-V278 HydrophobicContact CD2-CG1 4.24Å; N275-V278 PolarHBondContact O-N 3.37Å
279G91.8Very high94.1Very high51 Ų5133.7 Ų33.753%0.52620%0.197SC..  trans-92135.8164.100000108.8N277N277-G279 PolarHBondContact O-N 2.57Å
280F93.8Very high94Very high0 Ų037.3 Ų37.30%022%0.217CC..  trans-126.910.6-171.251.2-102.2000114.1Y17 P18 Q21 I22 A282 F283 D284 V291 I295Y17-F280 HydrophobicContact CD1-CE2 4.4Å; Y17-F280 HydrophobicContact CE1-CD2 4.21Å; Y17-F280 HydrophobicContact CE1-CE2 4.1Å; P18-F280 VanDerWaalsContact CA-CZ 3.48Å; P18-F280 HydrophobicContact CB-CD1 4.16Å; P18-F280 HydrophobicContact CB-CE1 3.61Å; P18-F280 HydrophobicContact CB-CE2 4.3Å; P18-F280 HydrophobicContact CB-CZ 3.68Å; Q21-F280 HydrophobicContact CB-CE2 4.43Å; I22-F280 HydrophobicContact CD1-CE1 3.93Å; I22-F280 HydrophobicContact CD1-CZ 4.05Å; I22-F280 HydrophobicContact CG1-CE1 4.29Å; I22-F280 HydrophobicContact CG1-CZ 3.94Å; F280-A282 PolarHBondContact O-N 2.91Å; F280-F283 HydrophobicContact CB-CB 4.23Å; F280-F283 CarbonylContact O-C 3.55Å; F280-F283 WeakPolarHBondContact O-CB 3.35Å; F280-F283 PolarHBondContact O-N 3.08Å; F280-D284 HydrophobicContact CD2-CB 4.41Å; F280-D284 VanDerWaalsContact O-CB 3.27Å; F280-D284 WeakPolarHBondContact O-CB 3.35Å; F280-D284 PolarHBondContact O-N 3.31Å; F280-V291 HydrophobicContact CB-CB 4.39Å; F280-V291 HydrophobicContact CB-CG1 4.08Å; F280-V291 HydrophobicContact CB-CG2 4.5Å; F280-V291 HydrophobicContact CD1-CB 4.5Å; F280-V291 HydrophobicContact CD1-CG1 3.73Å; F280-V291 HydrophobicContact CD2-CB 3.83Å; F280-V291 HydrophobicContact CD2-CG1 3.98Å; F280-V291 HydrophobicContact CE1-CG1 4.11Å; F280-V291 HydrophobicContact CE2-CB 4.22Å; F280-V291 HydrophobicContact CE2-CG1 4.35Å; F280-V291 HydrophobicContact CG-CB 3.99Å; F280-V291 HydrophobicContact CG-CG1 3.65Å; F280-V291 HydrophobicContact CZ-CG1 4.41Å; F280-I295 HydrophobicContact CD1-CD1 4.43Å; F280-I295 HydrophobicContact CE1-CD1 3.91Å
281L91.9Very high94Very high74 Ų7436.7 Ų36.739%0.38721%0.213SC..Hα-helixtrans-51.7-54.8179.5172.759.6000113.2Y17 F283 Q285Y17-L281 HydrophobicContact CD1-CB 3.65Å; Y17-L281 HydrophobicContact CD1-CD1 3.77Å; Y17-L281 HydrophobicContact CD1-CG 4.24Å; Y17-L281 HydrophobicContact CD2-CD1 3.63Å; Y17-L281 HydrophobicContact CE1-CB 4.05Å; Y17-L281 HydrophobicContact CE1-CD1 3.71Å; Y17-L281 HydrophobicContact CE1-CG 4.49Å; Y17-L281 HydrophobicContact CE2-CD1 3.56Å; Y17-L281 HydrophobicContact CG-CB 4.08Å; Y17-L281 HydrophobicContact CG-CD1 3.72Å; Y17-L281 HydrophobicContact CG-CD2 4.46Å; Y17-L281 HydrophobicContact CG-CG 4.29Å; L281-F283 VanDerWaalsContact C-N 3.28Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-Q285 WeakPolarHBondContact O-CG 3.43Å; L281-Q285 PolarHBondContact O-N 2.78Å
282A91.8Very high93.9Very high35 Ų3536.7 Ų36.729%0.28921%0.213SC..Hα-helixtrans-66.9-32.8178.600000112.1M213 C226 F280 A286M213-A282 HydrophobicContact CE-CB 4.35Å; C226-A282 HydrophobicContact CB-CB 4.12Å; F280-A282 PolarHBondContact O-N 2.91Å; A282-A286 WeakPolarHBondContact O-CB 3.39Å; A282-A286 PolarHBondContact O-N 2.9Å
283F93.8Very high94Very high3 Ų336 Ų361%0.01321%0.209CC..Hα-helixtrans-71.1-45-179.6-175.9-83.1000112R201 V203 G211 M213 F280 L281 Q285 A286 C287 L289 V291R201-F283 HydrophobicContact CG-CD2 4.14Å; V203-F283 HydrophobicContact CB-CE1 3.9Å; V203-F283 HydrophobicContact CB-CE2 4.13Å; V203-F283 HydrophobicContact CB-CZ 3.66Å; V203-F283 HydrophobicContact CG2-CD1 3.92Å; V203-F283 HydrophobicContact CG2-CD2 3.73Å; V203-F283 HydrophobicContact CG2-CE1 3.73Å; V203-F283 HydrophobicContact CG2-CE2 3.54Å; V203-F283 HydrophobicContact CG2-CG 3.91Å; V203-F283 HydrophobicContact CG2-CZ 3.52Å; G211-F283 VanDerWaalsContact C-CZ 3.41Å; G211-F283 WeakPolarHBondContact O-CZ 3.38Å; M213-F283 HydrophobicContact CB-CD2 3.63Å; M213-F283 HydrophobicContact CB-CE2 3.98Å; M213-F283 HydrophobicContact CE-CB 4.12Å; M213-F283 HydrophobicContact CE-CD2 4.32Å; M213-F283 HydrophobicContact SD-CB 4.3Å; M213-F283 HydrophobicContact SD-CD2 4.47Å; F280-F283 HydrophobicContact CB-CB 4.23Å; F280-F283 CarbonylContact O-C 3.55Å; F280-F283 WeakPolarHBondContact O-CB 3.35Å; F280-F283 PolarHBondContact O-N 3.08Å; L281-F283 VanDerWaalsContact C-N 3.28Å; L281-F283 PolarHBondContact O-N 3.49Å; F283-Q285 VanDerWaalsContact C-N 3.28Å; F283-Q285 PolarHBondContact O-N 2.86Å; F283-A286 PolarHBondContact O-N 3.27Å; F283-C287 HydrophobicContact CE1-CB 4.32Å; F283-C287 VanDerWaalsContact O-CB 3.3Å; F283-C287 WeakPolarHBondContact O-CB 3.35Å; F283-C287 PolarHBondContact O-N 3.14Å; F283-L289 HydrophobicContact CE1-CD1 4.15Å; F283-V291 HydrophobicContact CD1-CG2 3.92Å; F283-V291 HydrophobicContact CE1-CG2 4.1Å
284D93.1Very high94.2Very high18 Ų1836.8 Ų36.810%0.09621%0.214CC..Hα-helixtrans-56.7-45.4176.4-144.547.5000110Y17 F280 N288 L289 V291Y17-D284 PolarHBondContact OH-OD2 3.19Å; Y17-D284 VanDerWaalsContact OH-OD2 3.09Å; F280-D284 HydrophobicContact CD2-CB 4.41Å; F280-D284 VanDerWaalsContact O-CB 3.27Å; F280-D284 WeakPolarHBondContact O-CB 3.35Å; F280-D284 PolarHBondContact O-N 3.31Å; D284-N288 WeakPolarHBondContact O-CA 3.34Å; D284-N288 PolarHBondContact O-N 3.49Å; D284-L289 PolarHBondContact O-N 3.08Å; D284-V291 WeakPolarHBondContact OD1-CB 3.32Å; D284-V291 WeakPolarHBondContact OD1-CG2 3.36Å; D284-V291 PolarHBondContact OD1-N 3.4Å
285Q91.2Very high94.3Very high137 Ų13736.6 Ų36.664%0.6421%0.213SC*.Hα-helixtrans-67.3-47.2176.4-69.5175.1-14.800112.7L281 F283L281-Q285 WeakPolarHBondContact O-CG 3.43Å; L281-Q285 PolarHBondContact O-N 2.78Å; F283-Q285 VanDerWaalsContact C-N 3.28Å; F283-Q285 PolarHBondContact O-N 2.86Å
286A92.1Very high94.4Very high30 Ų3035.1 Ų35.125%0.24820%0.204CC..Hα-helixtrans-67.3-38.4-177.200000112.3M213 M234 A282 F283M213-A286 HydrophobicContact CG-CB 4.11Å; M213-A286 HydrophobicContact SD-CB 3.6Å; M213-A286 VanDerWaalsContact SD-CB 3.6Å; M234-A286 WeakPolarHBondContact CB-O 3.29Å; A282-A286 WeakPolarHBondContact O-CB 3.39Å; A282-A286 PolarHBondContact O-N 2.9Å; F283-A286 PolarHBondContact O-N 3.27Å
287C93.1Very high94.6Very high14 Ų1438 Ų3810%0.09522%0.22CC..Hα-helixtrans-93-9.2-178.4-62.60000113.5F283 L289F283-C287 HydrophobicContact CE1-CB 4.32Å; F283-C287 VanDerWaalsContact O-CB 3.3Å; F283-C287 WeakPolarHBondContact O-CB 3.35Å; F283-C287 PolarHBondContact O-N 3.14Å; C287-L289 VanDerWaalsContact C-N 3.32Å; C287-L289 HydrophobicContact CB-CD1 3.75Å; C287-L289 HydrophobicContact CB-CG 3.86Å; C287-L289 PolarHBondContact O-N 3.37Å
288N94.3Very high95Very high148 Ų14839.5 Ų39.579%0.79122%0.224SC*.THydrogen-bonded Turntrans50.550.8-174-170.754.1000112.3D284D284-N288 WeakPolarHBondContact O-CA 3.34Å; D284-N288 PolarHBondContact O-N 3.49Å
289L94.6Very high95.2Very high59 Ų5939.4 Ų39.431%0.30922%0.224SC..  trans-110.2165.9178.9-67174.4000110.3I210 F283 D284 C287 V291I210-L289 WeakPolarHBondContact O-CD1 3.42Å; F283-L289 HydrophobicContact CE1-CD1 4.15Å; D284-L289 PolarHBondContact O-N 3.08Å; C287-L289 VanDerWaalsContact C-N 3.32Å; C287-L289 HydrophobicContact CB-CD1 3.75Å; C287-L289 HydrophobicContact CB-CG 3.86Å; C287-L289 PolarHBondContact O-N 3.37Å; L289-V291 HydrophobicContact CB-CG2 4.16Å
290D95.9Very high95.4Very high89 Ų8937.6 Ų37.648%0.47620%0.202SC..  trans-107.176.9163.5177.312.8000108.3G292 G293 I294D290-G292 PolarHBondContact O-N 3.03Å; D290-G293 PolarHBondContact O-N 2.79Å; D290-G293 PolarHBondContact OD1-N 3.38Å; D290-G293 WeakPolarHBondContact OD2-CA 3.49Å; D290-I294 WeakPolarHBondContact O-CG1 3.29Å; D290-I294 PolarHBondContact O-N 3.02Å
291V97.3Very high95.6Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-61.8-34.9-178176.30000111I210 F280 F283 D284 L289 I294 I295I210-V291 HydrophobicContact CD1-CB 4.41Å; I210-V291 HydrophobicContact CD1-CG1 4.04Å; I210-V291 HydrophobicContact CD1-CG2 3.85Å; F280-V291 HydrophobicContact CB-CB 4.39Å; F280-V291 HydrophobicContact CB-CG1 4.08Å; F280-V291 HydrophobicContact CB-CG2 4.5Å; F280-V291 HydrophobicContact CD1-CB 4.5Å; F280-V291 HydrophobicContact CD1-CG1 3.73Å; F280-V291 HydrophobicContact CD2-CB 3.83Å; F280-V291 HydrophobicContact CD2-CG1 3.98Å; F280-V291 HydrophobicContact CE1-CG1 4.11Å; F280-V291 HydrophobicContact CE2-CB 4.22Å; F280-V291 HydrophobicContact CE2-CG1 4.35Å; F280-V291 HydrophobicContact CG-CB 3.99Å; F280-V291 HydrophobicContact CG-CG1 3.65Å; F280-V291 HydrophobicContact CZ-CG1 4.41Å; F283-V291 HydrophobicContact CD1-CG2 3.92Å; F283-V291 HydrophobicContact CE1-CG2 4.1Å; D284-V291 WeakPolarHBondContact OD1-CB 3.32Å; D284-V291 WeakPolarHBondContact OD1-CG2 3.36Å; D284-V291 PolarHBondContact OD1-N 3.4Å; L289-V291 HydrophobicContact CB-CG2 4.16Å; V291-I294 PolarHBondContact O-N 3.16Å; V291-I295 HydrophobicContact CG1-CD1 3.83Å; V291-I295 HydrophobicContact CG1-CG1 4.37Å; V291-I295 WeakPolarHBondContact O-CB 3.29Å; V291-I295 VanDerWaalsContact O-CG1 3.3Å; V291-I295 WeakPolarHBondContact O-CG1 3.19Å; V291-I295 PolarHBondContact O-N 2.94Å
292G97.4Very high95.8Very high0 Ų040.1 Ų40.10%022%0.222CC..Hα-helixtrans-62-44.9175.900000112.4D290 A296D290-G292 PolarHBondContact O-N 3.03Å; G292-A296 WeakPolarHBondContact O-CB 3.11Å; G292-A296 PolarHBondContact O-N 3.47Å
293G97.9Very high96Very high2 Ų239.2 Ų39.22%0.02121%0.212CC..Hα-helixtrans-61.1-46.1173.100000113.1D290 I295 A296 D297D290-G293 PolarHBondContact O-N 2.79Å; D290-G293 PolarHBondContact OD1-N 3.38Å; D290-G293 WeakPolarHBondContact OD2-CA 3.49Å; G293-I295 PolarHBondContact O-N 3.39Å; G293-A296 WeakPolarHBondContact O-CB 3.46Å; G293-A296 PolarHBondContact O-N 3.27Å; G293-D297 VanDerWaalsContact O-CG 3.27Å; G293-D297 PolarHBondContact O-N 3Å
294I98.4Very high95.8Very high56 Ų5642.3 Ų42.329%0.28723%0.232SC..Hα-helixtrans-61.8-43.8178.8-65.1163.2000111.3V205 I210 D290 V291 A296 D297 Y298V205-I294 HydrophobicContact CB-CG2 4.22Å; V205-I294 HydrophobicContact CG1-CG2 4.16Å; V205-I294 HydrophobicContact CG2-CG2 4.27Å; I210-I294 HydrophobicContact CD1-CD1 4.13Å; I210-I294 HydrophobicContact CG2-CG2 4.04Å; D290-I294 WeakPolarHBondContact O-CG1 3.29Å; D290-I294 PolarHBondContact O-N 3.02Å; V291-I294 PolarHBondContact O-N 3.16Å; I294-A296 VanDerWaalsContact C-N 3.34Å; I294-D297 PolarHBondContact O-N 3.47Å; I294-Y298 PolarHBondContact O-N 3.14Å
295I98.4Very high94.9Very high0 Ų048.1 Ų48.10%026%0.263CS..Hα-helixtrans-63.3-42.2175.8-71168.8000110.8I22 L71 V205 F256 F280 V291 G293 T299I22-I295 HydrophobicContact CD1-CD1 4.11Å; I22-I295 HydrophobicContact CD1-CG2 4.35Å; I22-I295 HydrophobicContact CG1-CD1 4.35Å; I22-I295 HydrophobicContact CG1-CG2 4.32Å; I22-I295 HydrophobicContact CG2-CG2 4.37Å; L71-I295 HydrophobicContact CD1-CG2 3.71Å; V205-I295 HydrophobicContact CG1-CG1 4.45Å; V205-I295 HydrophobicContact CG2-CG1 4.11Å; F256-I295 HydrophobicContact CB-CG1 4.47Å; F256-I295 HydrophobicContact CD2-CD1 3.73Å; F256-I295 HydrophobicContact CD2-CG1 4.24Å; F256-I295 HydrophobicContact CE2-CD1 4.06Å; F256-I295 HydrophobicContact CG-CD1 4.35Å; F256-I295 HydrophobicContact CG-CG1 4.38Å; F280-I295 HydrophobicContact CD1-CD1 4.43Å; F280-I295 HydrophobicContact CE1-CD1 3.91Å; V291-I295 HydrophobicContact CG1-CD1 3.83Å; V291-I295 HydrophobicContact CG1-CG1 4.37Å; V291-I295 WeakPolarHBondContact O-CB 3.29Å; V291-I295 VanDerWaalsContact O-CG1 3.3Å; V291-I295 WeakPolarHBondContact O-CG1 3.19Å; V291-I295 PolarHBondContact O-N 2.94Å; G293-I295 PolarHBondContact O-N 3.39Å; I295-T299 WeakPolarHBondContact O-CB 3.48Å; I295-T299 PolarHBondContact O-N 3.32Å; I295-T299 PolarHBondContact O-OG1 2.98Å
296A98.1Very high93.3Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-61.4-44.617700000111.2A25 L26 G292 G293 I294 T299 M300A25-A296 HydrophobicContact CB-CB 3.65Å; L26-A296 HydrophobicContact CD2-CB 3.82Å; L26-A296 HydrophobicContact CG-CB 3.99Å; G292-A296 WeakPolarHBondContact O-CB 3.11Å; G292-A296 PolarHBondContact O-N 3.47Å; G293-A296 WeakPolarHBondContact O-CB 3.46Å; G293-A296 PolarHBondContact O-N 3.27Å; I294-A296 VanDerWaalsContact C-N 3.34Å; A296-T299 PolarHBondContact O-N 3.24Å; A296-M300 WeakPolarHBondContact O-CB 3.36Å; A296-M300 WeakPolarHBondContact O-CG 3.24Å; A296-M300 PolarHBondContact O-N 3.43Å
297D98Very high91Very high62 Ų6256.1 Ų56.133%0.33229%0.289SS..Hα-helixtrans-63.5-45.4179.6-71.8-12.9000112.3R29 G293 I294 T299 M300 S301R29-D297 IonicContact CZ-OD1 3.57Å; R29-D297 IonicContact CZ-OD2 3.91Å; R29-D297 IonicContact NE-OD1 3.67Å; R29-D297 IonicContact NH1-OD1 3.78Å; R29-D297 PolarHBondContact NH1-OD1 3.41Å; R29-D297 IonicContact NH1-OD2 2.69Å; R29-D297 PolarHBondContact NH1-OD2 3.28Å; R29-D297 VanDerWaalsContact NH1-OD2 3.14Å; R29-D297 VanDerWaalsContact NH2-CG 3.34Å; R29-D297 IonicContact NH2-OD1 3.92Å; R29-D297 PolarHBondContact NH2-OD1 2.92Å; R29-D297 VanDerWaalsContact NH2-OD1 3.1Å; R29-D297 IonicContact NH2-OD2 2.88Å; R29-D297 PolarHBondContact NH2-OD2 3.09Å; G293-D297 VanDerWaalsContact O-CG 3.27Å; G293-D297 PolarHBondContact O-N 3Å; I294-D297 PolarHBondContact O-N 3.47Å; D297-T299 VanDerWaalsContact C-N 3.32Å; D297-T299 PolarHBondContact O-N 3.02Å; D297-M300 PolarHBondContact O-N 2.84Å; D297-S301 PolarHBondContact O-N 2.63Å
298Y98.3Very high88.4Confident50 Ų5061.6 Ų61.620%0.19632%0.322CS..Hα-helixtrans-58.3-46.8172.7175.8-102000111.3V99 V205 D255 I294 M300 S301 L302V99-Y298 HydrophobicContact CG1-CE1 4.28Å; V205-Y298 HydrophobicContact CG1-CD1 4.26Å; V205-Y298 HydrophobicContact CG1-CG 3.91Å; D255-Y298 HydrophobicContact CB-CE1 3.7Å; D255-Y298 PolarHBondContact OD1-OH 2.74Å; I294-Y298 PolarHBondContact O-N 3.14Å; Y298-M300 VanDerWaalsContact C-N 3.35Å; Y298-M300 PolarHBondContact O-N 3.19Å; Y298-S301 WeakPolarHBondContact O-CB 3.12Å; Y298-S301 PolarHBondContact O-N 3.32Å; Y298-S301 PolarHBondContact O-OG 3Å; Y298-L302 HydrophobicContact CD1-CD1 4.44Å; Y298-L302 HydrophobicContact CE1-CD1 3.81Å; Y298-L302 HydrophobicContact CE1-CG 4.44Å
299T98.1Very high85.8Confident0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-62.6-41.9-179.6-55.20000111.8L5 L26 V69 L71 I295 A296 D297 S301 L302L5-T299 HydrophobicContact CD1-CG2 3.82Å; L5-T299 HydrophobicContact CG-CG2 4.43Å; L26-T299 HydrophobicContact CD2-CG2 4.38Å; V69-T299 HydrophobicContact CG1-CG2 3.69Å; L71-T299 HydrophobicContact CB-CG2 3.98Å; L71-T299 HydrophobicContact CD1-CG2 4.15Å; L71-T299 WeakPolarHBondContact CD1-OG1 3.49Å; L71-T299 HydrophobicContact CG-CG2 4.41Å; I295-T299 WeakPolarHBondContact O-CB 3.48Å; I295-T299 PolarHBondContact O-N 3.32Å; I295-T299 PolarHBondContact O-OG1 2.98Å; A296-T299 PolarHBondContact O-N 3.24Å; D297-T299 VanDerWaalsContact C-N 3.32Å; D297-T299 PolarHBondContact O-N 3.02Å; T299-S301 VanDerWaalsContact C-N 3.3Å; T299-S301 PolarHBondContact O-N 3.42Å; T299-L302 WeakPolarHBondContact O-CB 3.25Å; T299-L302 PolarHBondContact O-N 3.34Å
300M96.6Very high82.8Confident12 Ų1265 Ų656%0.05935%0.348CS..Hα-helixtrans-63.1-37.2176.6-69.6-68.8-66.700111.7L5 R29 Q33 V35 A296 D297 Y298 L302 L303L5-M300 HydrophobicContact CD1-SD 3.66Å; R29-M300 HydrophobicContact CB-CE 4.29Å; R29-M300 HydrophobicContact CB-CG 4.04Å; R29-M300 HydrophobicContact CB-SD 4.37Å; Q33-M300 HydrophobicContact CB-CE 4.02Å; Q33-M300 HydrophobicContact CG-CE 4.27Å; Q33-M300 VanDerWaalsContact OE1-CE 3.31Å; V35-M300 HydrophobicContact CB-CE 4.42Å; V35-M300 HydrophobicContact CG2-CE 3.77Å; A296-M300 WeakPolarHBondContact O-CB 3.36Å; A296-M300 WeakPolarHBondContact O-CG 3.24Å; A296-M300 PolarHBondContact O-N 3.43Å; D297-M300 PolarHBondContact O-N 2.84Å; Y298-M300 VanDerWaalsContact C-N 3.35Å; Y298-M300 PolarHBondContact O-N 3.19Å; M300-L302 PolarHBondContact O-N 3.07Å; M300-L302 VanDerWaalsContact O-N 3.15Å; M300-L303 HydrophobicContact CE-CD1 3.99Å; M300-L303 WeakPolarHBondContact O-CB 3.2Å; M300-L303 PolarHBondContact O-N 2.98Å; M300-L303 HydrophobicContact SD-CD1 3.87Å
301S96.3Very high79.9Confident78 Ų7869.2 Ų69.255%0.54537%0.367SS..Hα-helixtrans-63.4-18.6178.780.70000114.1D297 Y298 T299 L303D297-S301 PolarHBondContact O-N 2.63Å; Y298-S301 WeakPolarHBondContact O-CB 3.12Å; Y298-S301 PolarHBondContact O-N 3.32Å; Y298-S301 PolarHBondContact O-OG 3Å; T299-S301 VanDerWaalsContact C-N 3.3Å; T299-S301 PolarHBondContact O-N 3.42Å; S301-L303 VanDerWaalsContact C-N 3.35Å
302L96.6Very high76.8Confident50 Ų5073.8 Ų73.826%0.26241%0.405SS..THydrogen-bonded Turntrans-84.2-9.5177.5-60.5174.9000113.2V69 R97 V99 Y298 T299 M300V69-L302 HydrophobicContact CG1-CB 4.48Å; V69-L302 HydrophobicContact CG2-CB 3.94Å; R97-L302 HydrophobicContact CG-CD1 4.34Å; V99-L302 HydrophobicContact CG2-CD1 3.41Å; V99-L302 VanDerWaalsContact CG2-CD1 3.41Å; Y298-L302 HydrophobicContact CD1-CD1 4.44Å; Y298-L302 HydrophobicContact CE1-CD1 3.81Å; Y298-L302 HydrophobicContact CE1-CG 4.44Å; T299-L302 WeakPolarHBondContact O-CB 3.25Å; T299-L302 PolarHBondContact O-N 3.34Å; M300-L302 PolarHBondContact O-N 3.07Å; M300-L302 VanDerWaalsContact O-N 3.15Å
303L95.5Very high73.7Confident15 Ų1579 Ų798%0.07944%0.437CS..SBendtrans-66.3143.8177-69167.6000110L5 V35 D68 V69 M300 S301 N305L5-L303 HydrophobicContact CB-CD2 4.18Å; L5-L303 HydrophobicContact CD1-CD1 4.12Å; L5-L303 HydrophobicContact CD1-CD2 4.42Å; L5-L303 HydrophobicContact CD1-CG 4.41Å; V35-L303 HydrophobicContact CB-CD1 4.46Å; V35-L303 HydrophobicContact CG1-CD1 3.84Å; V35-L303 HydrophobicContact CG2-CD1 3.74Å; D68-L303 HydrophobicContact CB-CD2 4.31Å; V69-L303 HydrophobicContact CB-CD2 3.97Å; V69-L303 HydrophobicContact CG2-CD2 3.74Å; V69-L303 HydrophobicContact CG2-CG 4.22Å; M300-L303 HydrophobicContact CE-CD1 3.99Å; M300-L303 WeakPolarHBondContact O-CB 3.2Å; M300-L303 PolarHBondContact O-N 2.98Å; M300-L303 HydrophobicContact SD-CD1 3.87Å; S301-L303 VanDerWaalsContact C-N 3.35Å; L303-N305 PolarHBondContact O-N 3.13Å; L303-N305 VanDerWaalsContact O-N 3.1Å
304P90.2Very high70.5Confident68 Ų6886.7 Ų86.744%0.44248%0.477SS..PPolyproline II helixtrans-61.3119.2177.123.4-31.6000109.9D68 R306D68-P304 HydrophobicContact CB-CG 4.15Å; P304-R306 PolarHBondContact O-N 3.42Å
305N74.1Confident67.2Low140 Ų14089.9 Ų89.975%0.74950%0.501SS*.PPolyproline II helixtrans-61.4124.5177.2-79.9-35.3000110.4L303 Q307L303-N305 PolarHBondContact O-N 3.13Å; L303-N305 VanDerWaalsContact O-N 3.1Å; N305-Q307 VanDerWaalsContact C-N 3.3Å; N305-Q307 PolarHBondContact O-N 3.32Å; N305-Q307 VanDerWaalsContact O-N 3.08Å
306R57.1Low64.3Low154 Ų15493.3 Ų93.358%0.58154%0.536SS*.  trans-74.290.2155.1-71.6-170.8-176.2177.69.2107.4M1 C2 P304 T308M1-R306 PolarHBondContact O-NE 3.14Å; M1-R306 VanDerWaalsContact O-NE 3.14Å; M1-R306 PolarHBondContact O-NH2 3.3Å; C2-R306 VanDerWaalsContact CA-NH2 3.27Å; C2-R306 VanDerWaalsContact N-NH2 3.15Å; P304-R306 PolarHBondContact O-N 3.42Å; R306-T308 PolarHBondContact O-N 2.85Å
307Q44Very low60.9Low182 Ų182101.4 Ų101.485%0.8558%0.579SS**  trans-67.190.5161.1-74.7-172.11.300108.5N305N305-Q307 VanDerWaalsContact C-N 3.3Å; N305-Q307 PolarHBondContact O-N 3.32Å; N305-Q307 VanDerWaalsContact O-N 3.08Å
308T40Very low57.6Low129 Ų129104.5 Ų104.579%0.79161%0.605SS**  trans-90.1114.9144.446.70000106.2R306 K310R306-T308 PolarHBondContact O-N 2.85Å; T308-K310 PolarHBondContact O-N 2.91Å
309G39.3Very low54.3Low73 Ų73106.9 Ų106.975%0.75363%0.629SS**SBendtrans-46.9125.5-16400000115.5
310K31.4Very low51.2Low206 Ų206112 Ų11290%0.89666%0.662SS**  trans-156.1107.6134.7-106.7173.3-176.8-179.70106.7T308 A312T308-K310 PolarHBondContact O-N 2.91Å; K310-A312 PolarHBondContact O-N 3.13Å; K310-A312 VanDerWaalsContact O-N 3.09Å
311M34.7Very low47.8Very low176 Ų176123.1 Ų123.187%0.86770%0.704SS**  trans-58.6110.3169.1-71.3174.960.700108.4V313M311-V313 HydrophobicContact CE-CG2 4.01Å
312A31.8Very low44.6Very low96 Ų96128.1 Ų128.179%0.79372%0.718SS**  trans-92.1100.4155.100000106.3K310 L314K310-A312 PolarHBondContact O-N 3.13Å; K310-A312 VanDerWaalsContact O-N 3.09Å; A312-L314 PolarHBondContact O-N 2.74Å
313V32Very low41.3Very low111 Ų111135 Ų13567%0.67375%0.746SS**PPolyproline II helixtrans-69.2116.7171176.20000107.3M311M311-V313 HydrophobicContact CE-CG2 4.01Å
314L31.2Very low38.1Very low163 Ų163141.6 Ų141.685%0.85378%0.782SS**PPolyproline II helixtrans-80.5127.4161.5-77.8160.8000107.8A312A312-L314 PolarHBondContact O-N 2.74Å
315P29.7Very low35Very low122 Ų122147.2 Ų147.279%0.79280%0.802SS**SBendtrans-80.7131.8-179.731.1-31.1000110.5
316G36.7Very low33.1Very low72 Ų72146.4 Ų146.474%0.74280%0.804SS**  trans11763.1162.900000115.6
317L27.2Very low31.7Very low171 Ų171147.3 Ų147.390%0.89582%0.821SS**  trans-145.192.5157.4-98138.5000108
318S29.3Very low30.8Very low126 Ų126142.5 Ų142.588%0.88182%0.82SS**  trans-93.8106.5162.555.10000108.5
319S28.3Very low30Very low100 Ų100142.7 Ų142.770%0.69983%0.825SS**  trans-144.9143.9148.468.20000105.6
320P33.2Very low29.4Very low109 Ų109143.9 Ų143.971%0.70883%0.828SS**  -148.7157.669.735.5-15.6000115.1
321R25.7Very low29.1Very low245 Ų245139.4 Ų139.493%0.92582%0.823SS**  trans-139.5103.7143.8-81.4-165.3173.8171.3-2.7109.8
322E28Very low28.8Very low182 Ų182136 Ų13685%0.8582%0.822SS**  trans-61.3140.7159.8-66.9168.7150.800110.2
323K27.8Very low28.5Very low194 Ų194140.9 Ų140.984%0.84383%0.829SS**  trans-144.6107155.3-82.2-166.2176.9-177.90109.9
324N27.4Very low28.2Very low155 Ų155139.4 Ų139.483%0.82984%0.835SS**  trans37119137-61-2.7000120.2
325E26.9Very low27.9Very low186 Ų186138 Ų13887%0.86983%0.833SS**  trans-67.8165.4146.9-64.4-173.615100111.7
326P33.1Very low27.8Very low123 Ų123137 Ų13780%0.79984%0.836SS**  trans-128.8153.8135.135.4-24.3000114.2
327D27.3Very low27.2Very low173 Ų173142 Ų14293%0.92584%0.84SS**  trans-37.9150.3173.7-67.6-55.6000117.8
328G25.3Very low27.2Very low81 Ų81139.7 Ų139.784%0.83584%0.838SS**  trans-16983.9165.900000113.5
329C22.8Very low27Very low132 Ų132139.4 Ų139.489%0.89283%0.831SS**  trans-67.9135.7171-174.50000112
330A26.9Very low26.8Very low99 Ų99143.7 Ų143.782%0.81883%0.833SS**  trans-166.9119.9143.400000112.1
331S25.3Very low26.4Very low112 Ų112145.2 Ų145.278%0.78384%0.841SS**  trans-69.8144.4166.350.20000112.9
332A27.9Very low26.4Very low104 Ų104139.8 Ų139.886%0.8683%0.829SS**  trans-151.9117.9147.100000110.7
333Q25.8Very low26.4Very low199 Ų199138.7 Ų138.793%0.9383%0.828SS**  trans-69.3151.4168.5-67.2165-35.600110.4
334G26.7Very low26.3Very low79 Ų79134.3 Ų134.381%0.81482%0.822SS**  trans-171.271.8171.800000110.9
335V25.3Very low26.2Very low133 Ų133130.8 Ų130.881%0.80682%0.822SS**  trans-78.2131.7169.9176.60000108.5
336A26.1Very low26.2Very low103 Ų103127.4 Ų127.485%0.85182%0.819SS**  trans-143.9101.3155.900000108.7
337E25.5Very low25.9Very low175 Ų175127.9 Ų127.982%0.81882%0.82SS**  trans-75.8141.7160.9-74.9175.613900109.4
338S25.6Very low25.8Very low124 Ų124124.6 Ų124.687%0.86781%0.811SS**  trans-135.4124.9152.261.80000110.1
339V26.8Very low25.9Very low119 Ų119125.8 Ų125.872%0.72181%0.806SS**  trans-81.4139.7-171.7153.10000111.7
340Y23.6Very low26Very low190 Ų190128.2 Ų128.275%0.74581%0.805SS**  trans31.3131.1147-69.8-100.7000121I342Y340-I342 HydrophobicContact CD1-CD1 4.3Å; Y340-I342 HydrophobicContact CD1-CG1 4.22Å
341T25.2Very low26.2Very low142 Ų142129.1 Ų129.187%0.87181%0.805SS**  trans-139114.4133.4-49.10000109.9
342I25Very low26.4Very low131 Ų131132.5 Ų132.567%0.67281%0.808SS**  trans-74.9130.6165.4-66.8164.1000106.4Y340Y340-I342 HydrophobicContact CD1-CD1 4.3Å; Y340-I342 HydrophobicContact CD1-CG1 4.22Å
343N28Very low26.6Very low158 Ų158133.3 Ų133.385%0.84581%0.805SS**  trans-125.5128.4155.6-150.819.5000109.8
344S25.3Very low26.7Very low103 Ų103132.3 Ų132.372%0.7280%0.8SS**  trans-102.114217928.80000107.9
345G25.9Very low26.7Very low80 Ų80137.1 Ų137.183%0.82581%0.806SS**  trans-170.595.7177.800000110.9
346S26.1Very low26.8Very low115 Ų115134.3 Ų134.380%0.80481%0.805SS**  trans-73.6156.4175-50.60000113
347T26.6Very low26.7Very low133 Ų133137.7 Ų137.782%0.81680%0.803SS**  trans152.3106.7140.745.30000107.9
348S25.8Very low26.9Very low104 Ų104137.5 Ų137.573%0.72781%0.805SS**  100.5144.769.565.70000112.9
349S27Very low26.9Very low107 Ų107141.9 Ų141.975%0.74880%0.803SS**  trans79.698.7162.768.20000121
350E26.3Very low26.8Very low183 Ų183144 Ų14486%0.85581%0.811SS**  37.7125115.4-60.7-173163.700119.8
351S29.6Very low27Very low118 Ų118140.1 Ų140.183%0.82581%0.811SS**  175.1128.7106-66.70000111.3
352E29.4Very low27.2Very low182 Ų182138.8 Ų138.885%0.8581%0.807SS**  trans-69.3165164.3-66.5-177.8147.100111.6
353P33.8Very low27.3Very low122 Ų122137.5 Ų137.579%0.79282%0.817SS**  -143.2144.8105.133.2-16.3000116.7
354E27.3Very low27.3Very low178 Ų178135.2 Ų135.283%0.83281%0.813SS**  trans25.7115.7138.3-68.6-175.3147.100122.3
355L26.5Very low27.4Very low179 Ų179137.3 Ų137.394%0.93782%0.821SS**  3121.9127.1-68.2158000118.4
356G26.7Very low27.6Very low75 Ų75142.2 Ų142.277%0.77383%0.825SS**  trans-129.2110.6157.600000110.7
357E25.6Very low27.7Very low173 Ų173140.1 Ų140.181%0.80882%0.821SS**  trans-63.7135.2170.3-64.5-177.8151.900111.2
358I28.7Very low27.8Very low171 Ų171138.4 Ų138.488%0.87782%0.821SS**  trans-128119.6155.7-61-178.2000108.7
359R25.9Very low28.1Very low216 Ų216139.2 Ų139.282%0.81582%0.824SS**  trans-72.7155.2178.4-76.5176.2169-178-4113
360D25Very low28.3Very low165 Ų165139.8 Ų139.888%0.88283%0.825SS**  trans-31.3143.7166.9-71.5-48.9000117.3
361S28.2Very low28.4Very low108 Ų108136.7 Ų136.776%0.75582%0.824SS**  trans-150.6118.3139.2480000112.8
362S28Very low28.4Very low113 Ų113140.2 Ų140.279%0.7983%0.829SS**  trans59118.5139.857.60000121.3
363A27.3Very low28.3Very low105 Ų105139.7 Ų139.787%0.86883%0.831SS**  trans-54.4142.9157.900000113.9
364S28.1Very low28.2Very low109 Ų109139.5 Ų139.576%0.76283%0.833SS**  trans-139.2110155.562.60000109.9
365T27.7Very low28.3Very low147 Ų147139.9 Ų139.990%0.90284%0.835SS**  trans-59.2127.5165.911.30000110.7
366M31Very low28.7Very low183 Ų183137.8 Ų137.890%0.90183%0.832SS**  trans-131.6138.5164.3-76.4-124.774.100109.7
367G27.4Very low29.2Very low71 Ų71138 Ų13873%0.73283%0.833SS**PPolyproline II helixtrans-82.2168.3-157.800000115.5
368A28.8Very low29.7Very low98 Ų98138 Ų13881%0.8183%0.828SS**PPolyproline II helixtrans-67.5144.8-179.800000112.8
369P32.1Very low30.6Very low120 Ų120134 Ų13478%0.77981%0.808SS**PPolyproline II helixtrans-81.6154.2169.332.5-30.8000111.6
370P30.7Very low31.4Very low120 Ų120127.6 Ų127.678%0.77979%0.789SS**PPolyproline II helixtrans-78.9153.1-17131.8-34000113.5
371S28.3Very low32.1Very low118 Ų118123.1 Ų123.183%0.82577%0.765SS**PPolyproline II helixtrans-65.1121.8176.953.20000112.8
372M29.8Very low32.7Very low191 Ų191123.2 Ų123.294%0.94176%0.757SS**PPolyproline II helixtrans-89.1124.4166.8-76.8-94.2-166.200109.9
373L28.3Very low33.3Very low171 Ų171124.8 Ų124.890%0.89575%0.746SS**PPolyproline II helixtrans-65.5139.1173.1-74.2154.2000110.7
374S30.7Very low34.5Very low118 Ų118121.7 Ų121.783%0.82571%0.714SS**PPolyproline II helixtrans-77.1119.4177.552.10000112
375E30.1Very low35.3Very low187 Ų187119 Ų11987%0.87470%0.698SS**PPolyproline II helixtrans-85.3143.8160.2-77.1-161.8162.300111.1
376P34.2Very low35.9Very low135 Ų135115.3 Ų115.388%0.87768%0.678SS**SBendtrans-89.1129.9-176.430.6-23.2000111.7
377G36.9Very low36.6Very low78 Ų78113.5 Ų113.580%0.80467%0.668SS**  trans132.95.6155.200000119.1N379G377-N379 PolarHBondContact O-N 3.16Å
378Y37.4Very low37.4Very low175 Ų175113.6 Ų113.669%0.68665%0.651SS**  trans-9885.6173.9-154.6-93.9000111.4I380 R383Y378-I380 HydrophobicContact CD1-CB 4.4Å; Y378-I380 HydrophobicContact CE1-CB 4.43Å; Y378-I380 HydrophobicContact CE1-CD1 4.44Å; Y378-I380 HydrophobicContact CE1-CG1 4.4Å; Y378-I380 PolarHBondContact O-N 3.02Å; Y378-R383 PolarHBondContact OH-NH1 3.47Å
379N46.2Very low37.7Very low85 Ų85117.6 Ų117.646%0.45565%0.65SS.*  trans-86.186.3177-167.9-19.4000110.7G377 N381 N382G377-N379 PolarHBondContact O-N 3.16Å; N379-N381 PolarHBondContact O-N 3.18Å; N379-N381 WeakPolarHBondContact OD1-CB 3.43Å; N379-N381 PolarHBondContact OD1-N 3.37Å; N379-N381 VanDerWaalsContact OD1-N 3.14Å; N379-N382 PolarHBondContact O-N 3.24Å
380I42.8Very low37.7Very low82 Ų82119.1 Ų119.142%0.42165%0.651SS.*Hα-helixtrans-58.8-25.5177.8-156.3159.7000112.7Y378 N382 R383 I384Y378-I380 HydrophobicContact CD1-CB 4.4Å; Y378-I380 HydrophobicContact CE1-CB 4.43Å; Y378-I380 HydrophobicContact CE1-CD1 4.44Å; Y378-I380 HydrophobicContact CE1-CG1 4.4Å; Y378-I380 PolarHBondContact O-N 3.02Å; I380-N382 VanDerWaalsContact C-N 3.31Å; I380-N382 PolarHBondContact O-N 3.19Å; I380-R383 PolarHBondContact O-N 3.14Å; I380-I384 HydrophobicContact CG1-CD1 4.21Å; I380-I384 PolarHBondContact O-N 3.47Å; I380-I384 VanDerWaalsContact O-N 3.13Å
381N41.3Very low37.8Very low71 Ų71126.6 Ų126.638%0.3867%0.671SS.*Hα-helixtrans-64.8-34.9-179.3-55.4-35.5000111.8N379 R383 A385N379-N381 PolarHBondContact O-N 3.18Å; N379-N381 WeakPolarHBondContact OD1-CB 3.43Å; N379-N381 PolarHBondContact OD1-N 3.37Å; N379-N381 VanDerWaalsContact OD1-N 3.14Å; N381-R383 VanDerWaalsContact C-N 3.34Å; N381-A385 VanDerWaalsContact O-CB 3.25Å; N381-A385 WeakPolarHBondContact O-CB 3.29Å; N381-A385 PolarHBondContact O-N 3.1Å; N381-A385 VanDerWaalsContact O-N 3.08Å
382N40.9Very low38.3Very low111 Ų111127.1 Ų127.159%0.59466%0.664SS**Hα-helixtrans-70.5-32.1177.8-75.6-10.3000112.2N379 I380 S386N379-N382 PolarHBondContact O-N 3.24Å; I380-N382 VanDerWaalsContact C-N 3.31Å; I380-N382 PolarHBondContact O-N 3.19Å; N382-S386 VanDerWaalsContact O-CB 3.29Å; N382-S386 WeakPolarHBondContact O-CB 3.46Å; N382-S386 PolarHBondContact O-N 3.09Å; N382-S386 PolarHBondContact O-OG 2.65Å
383R40.2Very low38.8Very low146 Ų146123.7 Ų123.755%0.55165%0.649SS**Hα-helixtrans-76.3-44.4-178-143.8179178.3-168.7-2.8111.3Y378 I380 N381 A385 S386 E387Y378-R383 PolarHBondContact OH-NH1 3.47Å; I380-R383 PolarHBondContact O-N 3.14Å; N381-R383 VanDerWaalsContact C-N 3.34Å; R383-A385 PolarHBondContact O-N 3.32Å; R383-S386 WeakPolarHBondContact CA-OG 3.48Å; R383-S386 PolarHBondContact O-N 3.25Å; R383-S386 VanDerWaalsContact O-N 3.16Å; R383-S386 PolarHBondContact O-OG 3.31Å; R383-E387 PolarHBondContact O-N 2.82Å
384I51.7Low39.4Very low39 Ų39121.1 Ų121.120%0.264%0.636CS.*Hα-helixtrans-61.5-44.6173.9-64.2171.9000110.5I380 S386 E387 L388I380-I384 HydrophobicContact CG1-CD1 4.21Å; I380-I384 PolarHBondContact O-N 3.47Å; I380-I384 VanDerWaalsContact O-N 3.13Å; I384-S386 VanDerWaalsContact C-N 3.29Å; I384-S386 PolarHBondContact O-N 2.78Å; I384-E387 PolarHBondContact O-N 2.78Å; I384-L388 HydrophobicContact CG2-CD1 3.86Å; I384-L388 VanDerWaalsContact O-CD1 3.29Å; I384-L388 WeakPolarHBondContact O-CD1 3.25Å; I384-L388 WeakPolarHBondContact O-CG 3.42Å; I384-L388 PolarHBondContact O-N 3.32Å
385A44.3Very low39.9Very low52 Ų52121.2 Ų121.243%0.4362%0.624SS.*Hα-helixtrans-65-30.7176.300000113.3N381 R383N381-A385 VanDerWaalsContact O-CB 3.25Å; N381-A385 WeakPolarHBondContact O-CB 3.29Å; N381-A385 PolarHBondContact O-N 3.1Å; N381-A385 VanDerWaalsContact O-N 3.08Å; R383-A385 PolarHBondContact O-N 3.32Å
386S41.3Very low40.5Very low70 Ų70117.1 Ų117.149%0.4961%0.609SS.*Hα-helixtrans-77-32.517869.20000113.8N382 R383 I384 L388N382-S386 VanDerWaalsContact O-CB 3.29Å; N382-S386 WeakPolarHBondContact O-CB 3.46Å; N382-S386 PolarHBondContact O-N 3.09Å; N382-S386 PolarHBondContact O-OG 2.65Å; R383-S386 WeakPolarHBondContact CA-OG 3.48Å; R383-S386 PolarHBondContact O-N 3.25Å; R383-S386 VanDerWaalsContact O-N 3.16Å; R383-S386 PolarHBondContact O-OG 3.31Å; I384-S386 VanDerWaalsContact C-N 3.29Å; I384-S386 PolarHBondContact O-N 2.78Å; S386-L388 VanDerWaalsContact C-N 3.34Å
387E45.1Very low40.9Very low146 Ų146115.9 Ų115.968%0.68259%0.591SS**Hα-helixtrans-78.3-17.9177.1-73.8-179.6179.800112.9R383 I384R383-E387 PolarHBondContact O-N 2.82Å; I384-E387 PolarHBondContact O-N 2.78Å
388L44.8Very low41.2Very low73 Ų73118.6 Ų118.638%0.38258%0.576SS.*THydrogen-bonded Turntrans-86.81.5175.8-72.4160.9000114.6L214 I384 S386 L390L214-L388 HydrophobicContact CD2-CD1 3.26Å; L214-L388 HydrophobicContact CD2-CD2 4.06Å; L214-L388 HydrophobicContact CD2-CG 4.27Å; I384-L388 HydrophobicContact CG2-CD1 3.86Å; I384-L388 VanDerWaalsContact O-CD1 3.29Å; I384-L388 WeakPolarHBondContact O-CD1 3.25Å; I384-L388 WeakPolarHBondContact O-CG 3.42Å; I384-L388 PolarHBondContact O-N 3.32Å; S386-L388 VanDerWaalsContact C-N 3.34Å; L388-L390 PolarHBondContact O-N 3.18Å
389K34.4Very low41.5Very low182 Ų182114.3 Ų114.379%0.79157%0.567SS**  trans-72.572.3164.3-72.8-173.4179.2-178.90108.9K391K389-K391 PolarHBondContact O-N 3.49Å
390L33.4Very low41.1Very low151 Ų151116.8 Ų116.879%0.79158%0.577SS**  trans-56.8127.4167.1-73.3158.2000108.3L388L388-L390 PolarHBondContact O-N 3.18Å
391K32.8Very low40.9Very low278 Ų278119.9 Ų119.9100%1.20959%0.591SS**  trans-72.20164.2-85.1-175.5174.6-179.70110.4K389K389-K391 PolarHBondContact O-N 3.49Å

Retrieved 391 of 391 residues in 1788.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).