A0A096MHN5_POEFO Loading...

Cadherin like and PC-esterase domain containing 1

AlphaFold DB , UniProt , Accession A0A096MHN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 821 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.7Low71.5Confident45 Ų4552.3 Ų52.322%0.22229%0.286CS..  0-43.90-60.5-172.1-78.100112.3R3 H4 L27 T28 R29M1-R3 PolarHBondContact O-N 3.32Å; M1-R3 VanDerWaalsContact O-N 3.16Å; M1-H4 WeakPolarHBondContact O-CB 3.48Å; M1-H4 PolarHBondContact O-N 3.07Å; M1-L27 HydrophobicContact CE-CB 3.81Å; M1-L27 HydrophobicContact CG-CB 4.23Å; M1-L27 HydrophobicContact CG-CD2 4.48Å; M1-L27 HydrophobicContact SD-CB 3.73Å; M1-L27 HydrophobicContact SD-CD1 4.25Å; M1-L27 HydrophobicContact SD-CG 4.42Å; M1-T28 WeakPolarHBondContact CB-O 3.25Å; M1-T28 WeakPolarHBondContact CG-O 3.49Å; M1-T28 PolarHBondContact N-O 3.39Å; M1-R29 HydrophobicContact CE-CB 4.43Å
2G70.7Confident72.1Confident6 Ų650.8 Ų50.86%0.06228%0.28CS..THydrogen-bonded Turntrans62.5-116.4-179.800000112.2R29G2-R29 WeakPolarHBondContact CA-O 3.3Å; G2-R29 PolarHBondContact N-O 3.04Å; G2-R29 VanDerWaalsContact O-CG 3.27Å; G2-R29 WeakPolarHBondContact O-CG 3.02Å; G2-R29 PolarHBondContact O-NE 3.45Å
3R66.8Low72.8Confident204 Ų20447.6 Ų47.677%0.7726%0.262SS*.THydrogen-bonded Turntrans-84.6-16.6175.9-66.2-175.3178.5-169.70.7114M1M1-R3 PolarHBondContact O-N 3.32Å; M1-R3 VanDerWaalsContact O-N 3.16Å
4H70.5Confident73.7Confident31 Ų3145.3 Ų45.314%0.14425%0.249CC..  trans-73.7144.5-179.5-62.1-78.3000112.2M1 D8 V11 S54M1-H4 WeakPolarHBondContact O-CB 3.48Å; M1-H4 PolarHBondContact O-N 3.07Å; H4-D8 HydrophobicContact CB-CB 3.89Å; H4-D8 IonicContact CE1-OD1 3.76Å; H4-D8 IonicContact CE1-OD2 3.14Å; H4-D8 IonicContact CG-OD2 2.86Å; H4-D8 IonicContact ND1-OD1 3.67Å; H4-D8 IonicContact ND1-OD2 3.01Å; H4-D8 PolarHBondContact ND1-OD2 3.41Å; H4-V11 HydrophobicContact CB-CG2 4.01Å; H4-S54 PolarHBondContact CD2-OG 3.13Å; H4-S54 PolarHBondContact CE1-OG 3.28Å; H4-S54 WeakPolarHBondContact NE2-CB 3.37Å; H4-S54 PolarHBondContact NE2-OG 3.05Å
5G69.9Low74.5Confident32 Ų3246.2 Ų46.233%0.3325%0.25SS..  trans-87.2169.5170.500000112.6S7 D8G5-S7 PolarHBondContact O-N 3.03Å; G5-D8 WeakPolarHBondContact O-CB 3.26Å; G5-D8 PolarHBondContact O-N 3.09Å; G5-D8 VanDerWaalsContact O-N 3.07Å
6P71.6Confident74.9Confident88 Ų8845.2 Ų45.257%0.57124%0.243SC*.THydrogen-bonded Turntrans-62.4-27.3177.7-21.833.2000114.1D8P6-D8 VanDerWaalsContact C-N 3.29Å
7S68.8Low75.4Confident71 Ų7142.7 Ų42.750%0.49723%0.23SC..THydrogen-bonded Turntrans-86.33.7176.852.10000113.6G5G5-S7 PolarHBondContact O-N 3.03Å
8D74.9Confident76.1Confident40 Ų4041.2 Ų41.221%0.21422%0.222CC..  trans-64.1133.5176.3-173.6-80.4000110.4H4 G5 P6 E10 V11 V12H4-D8 HydrophobicContact CB-CB 3.89Å; H4-D8 IonicContact CE1-OD1 3.76Å; H4-D8 IonicContact CE1-OD2 3.14Å; H4-D8 IonicContact CG-OD2 2.86Å; H4-D8 IonicContact ND1-OD1 3.67Å; H4-D8 IonicContact ND1-OD2 3.01Å; H4-D8 PolarHBondContact ND1-OD2 3.41Å; G5-D8 WeakPolarHBondContact O-CB 3.26Å; G5-D8 PolarHBondContact O-N 3.09Å; G5-D8 VanDerWaalsContact O-N 3.07Å; P6-D8 VanDerWaalsContact C-N 3.29Å; D8-E10 VanDerWaalsContact C-N 3.28Å; D8-E10 PolarHBondContact O-N 2.82Å; D8-E10 WeakPolarHBondContact OD1-CB 3.34Å; D8-E10 PolarHBondContact OD1-N 3.08Å; D8-V11 HydrophobicContact CB-CB 4.17Å; D8-V11 HydrophobicContact CB-CG2 3.88Å; D8-V11 WeakPolarHBondContact O-CB 3.35Å; D8-V11 PolarHBondContact O-N 2.88Å; D8-V12 WeakPolarHBondContact O-CG2 3.36Å; D8-V12 PolarHBondContact O-N 3.35Å
9P72.1Confident76.6Confident37 Ų3744.4 Ų44.424%0.2424%0.235CC..Hα-helixtrans-57.9-36.2-177.1-25.834.1000114.5V11 L13P9-V11 VanDerWaalsContact C-N 3.35Å; P9-L13 WeakPolarHBondContact O-CB 3.12Å; P9-L13 PolarHBondContact O-N 3.1Å
10E77.7Confident76.7Confident18 Ų1847.9 Ų47.98%0.08425%0.25CS..Hα-helixtrans-66.8-40.4176.8-170.8178.3158.300109.8D8 H14 L52 S53 L261D8-E10 VanDerWaalsContact C-N 3.28Å; D8-E10 PolarHBondContact O-N 2.82Å; D8-E10 WeakPolarHBondContact OD1-CB 3.34Å; D8-E10 PolarHBondContact OD1-N 3.08Å; E10-H14 PolarHBondContact O-N 3.25Å; E10-H14 VanDerWaalsContact O-N 3.13Å; E10-H14 PolarHBondContact O-ND1 3.17Å; E10-H14 IonicContact OE1-CE1 2.72Å; E10-L52 HydrophobicContact CG-CD2 4.21Å; E10-S53 PolarHBondContact OE1-N 3.38Å; E10-S53 PolarHBondContact OE2-OG 2.03Å; E10-S53 VanDerWaalsContact OE2-OG 3.11Å; E10-L261 HydrophobicContact CG-CD1 4.01Å
11V80.8Confident76.9Confident3 Ų348.5 Ų48.52%0.01825%0.252CS..Hα-helixtrans-64.4-48.2176.5176.40000111.2H4 D8 P9 L13 H14 Q15 L27 L52H4-V11 HydrophobicContact CB-CG2 4.01Å; D8-V11 HydrophobicContact CB-CB 4.17Å; D8-V11 HydrophobicContact CB-CG2 3.88Å; D8-V11 WeakPolarHBondContact O-CB 3.35Å; D8-V11 PolarHBondContact O-N 2.88Å; P9-V11 VanDerWaalsContact C-N 3.35Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.16Å; V11-H14 PolarHBondContact O-N 2.78Å; V11-Q15 WeakPolarHBondContact O-CB 3.36Å; V11-Q15 PolarHBondContact O-N 3.43Å; V11-L27 HydrophobicContact CG1-CD1 3.99Å; V11-L27 HydrophobicContact CG1-CD2 3.8Å; V11-L52 HydrophobicContact CG2-CD1 3.53Å
12V78.8Confident77.9Confident34 Ų3449.4 Ų49.421%0.20627%0.274CS..Hα-helixtrans-60.8-43.8-179.7172.90000110.7D8 Q15 Q16D8-V12 WeakPolarHBondContact O-CG2 3.36Å; D8-V12 PolarHBondContact O-N 3.35Å; V12-Q15 PolarHBondContact O-N 2.85Å; V12-Q16 VanDerWaalsContact O-CB 3.3Å; V12-Q16 WeakPolarHBondContact O-CB 3.32Å; V12-Q16 PolarHBondContact O-N 2.93Å
13L81.1Confident78.5Confident10 Ų1051.8 Ų51.85%0.05228%0.281CS..Hα-helixtrans-59.5-52176.9177.572000111.7P9 V11 Q15 Q16 V17 D258 L261P9-L13 WeakPolarHBondContact O-CB 3.12Å; P9-L13 PolarHBondContact O-N 3.1Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.16Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.49Å; L13-Q16 PolarHBondContact O-N 2.89Å; L13-V17 HydrophobicContact CD1-CG2 4.04Å; L13-V17 HydrophobicContact CG-CG2 4.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.25Å; L13-D258 HydrophobicContact CD1-CB 4.42Å; L13-D258 VanDerWaalsContact CD2-CA 3.47Å; L13-D258 HydrophobicContact CD2-CB 3.68Å; L13-D258 WeakPolarHBondContact CD2-O 3.24Å; L13-L261 HydrophobicContact CD2-CB 3.97Å; L13-L261 HydrophobicContact CD2-CD1 4.25Å
14H85.3Confident79.4Confident15 Ų1550.4 Ų50.47%0.06928%0.283CS..Hα-helixtrans-59-45.7179.4-77.295.6000111.1E10 V11 Q16 L18 L50E10-H14 PolarHBondContact O-N 3.25Å; E10-H14 VanDerWaalsContact O-N 3.13Å; E10-H14 PolarHBondContact O-ND1 3.17Å; E10-H14 IonicContact OE1-CE1 2.72Å; V11-H14 PolarHBondContact O-N 2.78Å; H14-Q16 PolarHBondContact O-N 3.45Å; H14-L18 WeakPolarHBondContact O-CB 3.21Å; H14-L18 WeakPolarHBondContact O-CD1 3.42Å; H14-L18 WeakPolarHBondContact O-CG 3.41Å; H14-L18 PolarHBondContact O-N 2.91Å; H14-L50 WeakPolarHBondContact CD2-CD1 3.36Å
15Q85.6Confident80.2Confident59 Ų5950.7 Ų50.728%0.27629%0.288SS..Hα-helixtrans-58.7-48177.5-176.8174.311.400111.5V11 V12 L13 Q19 V25V11-Q15 WeakPolarHBondContact O-CB 3.36Å; V11-Q15 PolarHBondContact O-N 3.43Å; V12-Q15 PolarHBondContact O-N 2.85Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.49Å; Q15-Q19 HydrophobicContact CG-CG 4.39Å; Q15-Q19 VanDerWaalsContact O-CB 3.28Å; Q15-Q19 WeakPolarHBondContact O-CB 3.08Å; Q15-Q19 WeakPolarHBondContact O-CG 3.05Å; Q15-Q19 PolarHBondContact O-N 3.35Å; Q15-V25 HydrophobicContact CB-CG1 4.36Å; Q15-V25 HydrophobicContact CG-CB 4.33Å; Q15-V25 HydrophobicContact CG-CG1 4.22Å
16Q81.4Confident81Confident30 Ų3055 Ų5514%0.1430%0.299CS..Hα-helixtrans-61.2-52.3-179.9-179.6-175.6-12.500111.9V12 L13 H14 L18 Q19 Q20V12-Q16 VanDerWaalsContact O-CB 3.3Å; V12-Q16 WeakPolarHBondContact O-CB 3.32Å; V12-Q16 PolarHBondContact O-N 2.93Å; L13-Q16 PolarHBondContact O-N 2.89Å; H14-Q16 PolarHBondContact O-N 3.45Å; Q16-L18 PolarHBondContact O-N 3.47Å; Q16-Q19 PolarHBondContact O-N 3.09Å; Q16-Q20 WeakPolarHBondContact O-CB 3.47Å; Q16-Q20 VanDerWaalsContact O-CG 3.26Å; Q16-Q20 WeakPolarHBondContact O-CG 3.35Å; Q16-Q20 PolarHBondContact O-N 3.32Å
17V83.6Confident81.6Confident3 Ų354.3 Ų54.32%0.01829%0.29CS..Hα-helixtrans-62.4-44.5-177.8174.70000110.5L13 Q20 M21 E262 L265L13-V17 HydrophobicContact CD1-CG2 4.04Å; L13-V17 HydrophobicContact CG-CG2 4.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.25Å; V17-Q20 PolarHBondContact O-N 3.1Å; V17-M21 HydrophobicContact CG1-SD 4.07Å; V17-M21 VanDerWaalsContact O-CG 3.27Å; V17-M21 WeakPolarHBondContact O-CG 3.48Å; V17-M21 PolarHBondContact O-N 3.23Å; V17-M21 VanDerWaalsContact O-N 3.13Å; V17-E262 HydrophobicContact CG2-CB 4.41Å; V17-E262 HydrophobicContact CG2-CG 4Å; V17-L265 HydrophobicContact CB-CD1 4.32Å; V17-L265 HydrophobicContact CG1-CB 4.07Å; V17-L265 HydrophobicContact CG1-CD1 4.02Å
18L87.8Confident82.1Confident15 Ų1552.7 Ų52.78%0.07928%0.277CS..Hα-helixtrans-65.2-43.5179.4-69.4173.8000112.4H14 Q16 M21 G22 Y23 V25 L48 L50 L269H14-L18 WeakPolarHBondContact O-CB 3.21Å; H14-L18 WeakPolarHBondContact O-CD1 3.42Å; H14-L18 WeakPolarHBondContact O-CG 3.41Å; H14-L18 PolarHBondContact O-N 2.91Å; Q16-L18 PolarHBondContact O-N 3.47Å; L18-M21 CarbonylContact O-C 3.35Å; L18-M21 PolarHBondContact O-N 2.97Å; L18-M21 VanDerWaalsContact O-N 3.13Å; L18-G22 PolarHBondContact O-N 3.13Å; L18-Y23 HydrophobicContact CD2-CD2 4.44Å; L18-Y23 HydrophobicContact CD2-CG 4.47Å; L18-Y23 WeakPolarHBondContact O-CB 3.27Å; L18-Y23 PolarHBondContact O-N 2.86Å; L18-V25 HydrophobicContact CB-CG2 3.58Å; L18-V25 HydrophobicContact CD1-CG2 4.07Å; L18-V25 HydrophobicContact CG-CG2 4.49Å; L18-L48 HydrophobicContact CD1-CD2 4.32Å; L18-L48 HydrophobicContact CD2-CD2 3.48Å; L18-L48 VanDerWaalsContact CD2-CD2 3.48Å; L18-L50 HydrophobicContact CD1-CD1 4.06Å; L18-L269 HydrophobicContact CD2-CD1 3.31Å
19Q84.6Confident82.1Confident103 Ų10358.1 Ų58.148%0.48129%0.294SS..Hα-helixtrans-64.7-39.7176.9-74.5174.5-18.900112.1Q15 Q16 M21 G22 V25Q15-Q19 HydrophobicContact CG-CG 4.39Å; Q15-Q19 VanDerWaalsContact O-CB 3.28Å; Q15-Q19 WeakPolarHBondContact O-CB 3.08Å; Q15-Q19 WeakPolarHBondContact O-CG 3.05Å; Q15-Q19 PolarHBondContact O-N 3.35Å; Q16-Q19 PolarHBondContact O-N 3.09Å; Q19-M21 PolarHBondContact O-N 2.78Å; Q19-G22 PolarHBondContact O-N 2.89Å; Q19-V25 HydrophobicContact CG-CG2 3.99Å
20Q79.1Confident82.2Confident114 Ų11460 Ų6053%0.53330%0.299SS..Hα-helixtrans-60.7-30.7173.5-75.3177.90.500112.3Q16 V17 G22Q16-Q20 WeakPolarHBondContact O-CB 3.47Å; Q16-Q20 VanDerWaalsContact O-CG 3.26Å; Q16-Q20 WeakPolarHBondContact O-CG 3.35Å; Q16-Q20 PolarHBondContact O-N 3.32Å; V17-Q20 PolarHBondContact O-N 3.1Å; Q20-G22 VanDerWaalsContact C-N 3.27Å
21M81.8Confident81.9Confident60 Ų6060 Ų6030%0.29630%0.302SS..THydrogen-bonded Turntrans-85.25.1175.3-65.4177.6124.900113.4V17 L18 Q19 Y23 R266 L269 P270V17-M21 HydrophobicContact CG1-SD 4.07Å; V17-M21 VanDerWaalsContact O-CG 3.27Å; V17-M21 WeakPolarHBondContact O-CG 3.48Å; V17-M21 PolarHBondContact O-N 3.23Å; V17-M21 VanDerWaalsContact O-N 3.13Å; L18-M21 CarbonylContact O-C 3.35Å; L18-M21 PolarHBondContact O-N 2.97Å; L18-M21 VanDerWaalsContact O-N 3.13Å; Q19-M21 PolarHBondContact O-N 2.78Å; M21-Y23 HydrophobicContact CB-CD2 3.82Å; M21-Y23 HydrophobicContact CB-CE2 4.02Å; M21-R266 HydrophobicContact CE-CB 4.5Å; M21-R266 HydrophobicContact CE-CG 4.11Å; M21-L269 HydrophobicContact CE-CB 3.98Å; M21-L269 HydrophobicContact SD-CB 3.88Å; M21-L269 HydrophobicContact SD-CD1 3.75Å; M21-L269 HydrophobicContact SD-CG 4.42Å; M21-P270 HydrophobicContact CE-CG 3.85Å
22G82.6Confident81.3Confident65 Ų6563 Ų6367%0.6732%0.316SS*.THydrogen-bonded Turntrans84.211.8176.800000115.3L18 Q19 Q20L18-G22 PolarHBondContact O-N 3.13Å; Q19-G22 PolarHBondContact O-N 2.89Å; Q20-G22 VanDerWaalsContact C-N 3.27Å
23Y84.8Confident80.7Confident55 Ų5565.8 Ų65.822%0.21633%0.333CS..  trans-83.1142.9176.6-70.4-99.7000111.8L18 M21 L269L18-Y23 HydrophobicContact CD2-CD2 4.44Å; L18-Y23 HydrophobicContact CD2-CG 4.47Å; L18-Y23 WeakPolarHBondContact O-CB 3.27Å; L18-Y23 PolarHBondContact O-N 2.86Å; M21-Y23 HydrophobicContact CB-CD2 3.82Å; M21-Y23 HydrophobicContact CB-CE2 4.02Å; Y23-L269 HydrophobicContact CE2-CB 4.26Å; Y23-L269 HydrophobicContact CE2-CD1 4.35Å; Y23-L269 PolarHBondContact OH-O 3.43Å
24Q85.2Confident80.3Confident175 Ų17566.2 Ų66.282%0.81834%0.337SS*.  trans-83.6123.6165.4-67.1-175.9-2.100109.3
25V87.6Confident79.5Confident38 Ų3870.2 Ų70.223%0.2337%0.367CS..  trans-104.2121.6-173.4-178.20000110.1Q15 L18 Q19 L27Q15-V25 HydrophobicContact CB-CG1 4.36Å; Q15-V25 HydrophobicContact CG-CB 4.33Å; Q15-V25 HydrophobicContact CG-CG1 4.22Å; L18-V25 HydrophobicContact CB-CG2 3.58Å; L18-V25 HydrophobicContact CD1-CG2 4.07Å; L18-V25 HydrophobicContact CG-CG2 4.49Å; Q19-V25 HydrophobicContact CG-CG2 3.99Å; V25-L27 HydrophobicContact CG1-CD2 4.13Å
26H85.5Confident78.7Confident123 Ų12372 Ų7257%0.56937%0.374SS*.  trans-111.1120.7173.6-67.9-83.7000110.5
27L84.9Confident78.1Confident72 Ų7272.4 Ų72.438%0.37738%0.377SS..  trans-92.1121.8179.1-61.6179.8000110.1M1 V11 V25M1-L27 HydrophobicContact CE-CB 3.81Å; M1-L27 HydrophobicContact CG-CB 4.23Å; M1-L27 HydrophobicContact CG-CD2 4.48Å; M1-L27 HydrophobicContact SD-CB 3.73Å; M1-L27 HydrophobicContact SD-CD1 4.25Å; M1-L27 HydrophobicContact SD-CG 4.42Å; V11-L27 HydrophobicContact CG1-CD1 3.99Å; V11-L27 HydrophobicContact CG1-CD2 3.8Å; V25-L27 HydrophobicContact CG1-CD2 4.13Å
28T79.1Confident77.1Confident38 Ų3880.1 Ų80.123%0.23341%0.406CS..  trans-122.3141.9171.7-173.90000111.8M1 F30M1-T28 WeakPolarHBondContact CB-O 3.25Å; M1-T28 WeakPolarHBondContact CG-O 3.49Å; M1-T28 PolarHBondContact N-O 3.39Å; T28-F30 PolarHBondContact OG1-O 3.33Å
29R75.6Confident75.5Confident153 Ų15384.3 Ų84.358%0.57743%0.432SS*.SBendtrans-72.5-49176.5-161.6171.6-173.7168-0.4111.1M1 G2M1-R29 HydrophobicContact CE-CB 4.43Å; G2-R29 WeakPolarHBondContact CA-O 3.3Å; G2-R29 PolarHBondContact N-O 3.04Å; G2-R29 VanDerWaalsContact O-CG 3.27Å; G2-R29 WeakPolarHBondContact O-CG 3.02Å; G2-R29 PolarHBondContact O-NE 3.45Å
30F74.1Confident73.6Confident77 Ų7788.9 Ų88.934%0.33845%0.453SS..  trans-124.7136.7177.7-54.2-80.5000110.2T28 E32 T33T28-F30 PolarHBondContact OG1-O 3.33Å; F30-E32 PolarHBondContact O-N 3.32Å; F30-T33 HydrophobicContact CB-CG2 4.33Å; F30-T33 PolarHBondContact O-N 2.8Å; F30-T33 PolarHBondContact O-OG1 3.1Å
31A70.1Confident72Confident18 Ų1887.6 Ų87.615%0.14946%0.457CS..G310 helixtrans-59.2-38.8177.200000111.3T33 S34 L37 C59A31-T33 VanDerWaalsContact C-N 3.27Å; A31-T33 PolarHBondContact O-N 3.5Å; A31-S34 WeakPolarHBondContact O-CB 3.28Å; A31-S34 PolarHBondContact O-N 3.43Å; A31-S34 VanDerWaalsContact O-N 3.13Å; A31-L37 HydrophobicContact CB-CD1 3.93Å; A31-C59 WeakPolarHBondContact CB-O 3.02Å
32E68.1Low70.4Confident65 Ų6593.1 Ų93.130%0.30449%0.488SS..G310 helixtrans-63.8-28.1-177.2-56.4-179.4176.500114.2F30 R62F30-E32 PolarHBondContact O-N 3.32Å; E32-R62 HydrophobicContact CG-CG 4.26Å
33T67.3Low68.7Low93 Ų9395.8 Ų95.857%0.57149%0.491SS*.G310 helixtrans-87.4-10.1179.653.60000113.5F30 A31 S35F30-T33 HydrophobicContact CB-CG2 4.33Å; F30-T33 PolarHBondContact O-N 2.8Å; F30-T33 PolarHBondContact O-OG1 3.1Å; A31-T33 VanDerWaalsContact C-N 3.27Å; A31-T33 PolarHBondContact O-N 3.5Å; T33-S35 PolarHBondContact O-N 3.14Å
34S71.7Confident67.4Low20 Ų2094 Ų9414%0.1449%0.486CS..  trans-76.3117.4-178.5-175.30000110.9A31 F36 L37A31-S34 WeakPolarHBondContact O-CB 3.28Å; A31-S34 PolarHBondContact O-N 3.43Å; A31-S34 VanDerWaalsContact O-N 3.13Å; S34-F36 PolarHBondContact O-N 3.25Å; S34-F36 PolarHBondContact OG-N 2.03Å; S34-L37 PolarHBondContact O-N 3.09Å
35S68.4Low66.6Low99 Ų9988.7 Ų88.769%0.69248%0.478SS*.G310 helixtrans-63.4-28.1169.953.30000112T33 L37 R38T33-S35 PolarHBondContact O-N 3.14Å; S35-L37 VanDerWaalsContact C-N 3.25Å; S35-L37 PolarHBondContact O-N 2.9Å; S35-R38 PolarHBondContact O-N 3.4Å; S35-R38 VanDerWaalsContact O-N 3.15Å
36F69.6Low66.2Low97 Ų9788.3 Ų88.343%0.42547%0.473SS..G310 helixtrans-68.7-22.1-179.4-134.8-95.4000113.6S34 G45 W46S34-F36 PolarHBondContact O-N 3.25Å; S34-F36 PolarHBondContact OG-N 2.03Å; F36-G45 VanDerWaalsContact CE1-O 3.31Å; F36-G45 WeakPolarHBondContact CE1-O 3.45Å; F36-W46 HydrophobicContact CD1-CB 4.09Å; F36-W46 HydrophobicContact CE1-CB 4.18Å
37L69.4Low65.9Low37 Ų3784.7 Ų84.719%0.19446%0.461CS..G310 helixtrans-93.8-5.4176-63.1178.2000112.8A31 S34 S35 T39 W46 L49A31-L37 HydrophobicContact CB-CD1 3.93Å; S34-L37 PolarHBondContact O-N 3.09Å; S35-L37 VanDerWaalsContact C-N 3.25Å; S35-L37 PolarHBondContact O-N 2.9Å; L37-T39 PolarHBondContact O-N 2.84Å; L37-W46 HydrophobicContact CD2-CD2 4.14Å; L37-W46 HydrophobicContact CD2-CG 4.28Å; L37-W46 HydrophobicContact CD2-CZ2 4.28Å; L37-L49 HydrophobicContact CD1-CD1 4.47Å
38R61.4Low65.9Low166 Ų16682.7 Ų82.763%0.62645%0.451SS*.  trans-83.5105.5178-67.1-175.5-175-172.60.9110S35 Q40S35-R38 PolarHBondContact O-N 3.4Å; S35-R38 VanDerWaalsContact O-N 3.15Å; R38-Q40 PolarHBondContact O-N 2.76Å
39T54.1Low66.1Low102 Ų10282 Ų8263%0.62645%0.445SS*.  trans-80.9104.517238.70000110.4L37L37-T39 PolarHBondContact O-N 2.84Å
40Q46.2Very low66.6Low199 Ų19976.3 Ų76.393%0.9343%0.426SS*.SBendtrans-105.6-3.5161.8-79.8-168.7-14.300112.8R38R38-Q40 PolarHBondContact O-N 2.76Å
41S45Very low67Low87 Ų8773 Ų7361%0.60841%0.413SS*.SBendtrans-147153.517854.60000111.4V43S41-V43 PolarHBondContact O-N 3.18Å
42D46.8Very low67.4Low177 Ų17773 Ų7395%0.94741%0.41SS*.SBendtrans-58.66.8-173.4-102.6-16.1000117.1
43V48.8Very low67Low121 Ų12173.1 Ų73.173%0.73342%0.418SS*.  trans-127.8102.1178.8-171.20000109.1S41S41-V43 PolarHBondContact O-N 3.18Å
44S57.5Low66.4Low17 Ų1771.3 Ų71.312%0.11941%0.409CS..  trans-77.6132.6172.6630000111W46 H70 Q71S44-W46 VanDerWaalsContact C-N 3.31Å; S44-W46 PolarHBondContact O-N 2.03Å; S44-H70 PolarHBondContact OG-CE1 2.89Å; S44-H70 PolarHBondContact OG-NE2 2.9Å; S44-Q71 PolarHBondContact OG-NE2 3.29Å
45G67.9Low65.5Low63 Ų6371.5 Ų71.565%0.64941%0.411SS*.SBendtrans-79.45.2-177.900000116.7F36F36-G45 VanDerWaalsContact CE1-O 3.31Å; F36-G45 WeakPolarHBondContact CE1-O 3.45Å
46W78.9Confident64.6Low31 Ų3170.8 Ų70.812%0.11740%0.396CS..  trans-124.3150.3-17466.2-85.5000112.8F36 L37 S44 L49 L68 Q71 V73F36-W46 HydrophobicContact CD1-CB 4.09Å; F36-W46 HydrophobicContact CE1-CB 4.18Å; L37-W46 HydrophobicContact CD2-CD2 4.14Å; L37-W46 HydrophobicContact CD2-CG 4.28Å; L37-W46 HydrophobicContact CD2-CZ2 4.28Å; S44-W46 VanDerWaalsContact C-N 3.31Å; S44-W46 PolarHBondContact O-N 2.03Å; W46-L49 HydrophobicContact CE3-CB 3.98Å; W46-L49 HydrophobicContact CH2-CB 4.05Å; W46-L49 HydrophobicContact CZ3-CB 3.42Å; W46-L49 VanDerWaalsContact CZ3-CB 3.42Å; W46-L68 HydrophobicContact CH2-CD2 3.94Å; W46-L68 HydrophobicContact CZ2-CD2 3.98Å; W46-Q71 HydrophobicContact CD2-CB 4.35Å; W46-Q71 HydrophobicContact CD2-CG 3.91Å; W46-Q71 HydrophobicContact CE3-CB 3.87Å; W46-Q71 HydrophobicContact CE3-CG 3.93Å; W46-Q71 HydrophobicContact CH2-CB 3.37Å; W46-Q71 HydrophobicContact CH2-CG 3.76Å; W46-Q71 HydrophobicContact CZ2-CB 3.88Å; W46-Q71 HydrophobicContact CZ2-CG 3.72Å; W46-Q71 HydrophobicContact CZ3-CB 3.39Å; W46-Q71 HydrophobicContact CZ3-CG 3.89Å; W46-Q71 VanDerWaalsContact O-CG 3.26Å; W46-Q71 WeakPolarHBondContact O-CG 3.46Å; W46-V73 HydrophobicContact CH2-CG2 4.18Å; W46-V73 HydrophobicContact CZ3-CG2 4.4Å
47S78.6Confident63.7Low46 Ų4672.1 Ų72.132%0.32241%0.414SS..SBendtrans-117.1-23.5-177.159.50000114.5M72S47-M72 PolarHBondContact O-N 3.2Å
48L84.4Confident62.9Low31 Ų3170.8 Ų70.816%0.16241%0.409CS..EExtended strand (participates in β ladder)trans-140.8131.8-178.2179.267.5000110.3L18 L50 M72 F217 L269L18-L48 HydrophobicContact CD1-CD2 4.32Å; L18-L48 HydrophobicContact CD2-CD2 3.48Å; L18-L48 VanDerWaalsContact CD2-CD2 3.48Å; L48-L50 HydrophobicContact CD1-CD2 3.83Å; L48-L50 HydrophobicContact CD1-CG 4.33Å; L48-L50 HydrophobicContact CD2-CD1 4.1Å; L48-L50 HydrophobicContact CD2-CD2 4.23Å; L48-L50 HydrophobicContact CD2-CG 4.05Å; L48-L50 HydrophobicContact CG-CD2 4.08Å; L48-L50 HydrophobicContact CG-CG 4.01Å; L48-M72 CarbonylContact C-O 3.52Å; L48-M72 WeakPolarHBondContact CA-O 3.36Å; L48-M72 HydrophobicContact CD1-CB 3.75Å; L48-M72 HydrophobicContact CD1-CG 3.63Å; L48-M72 HydrophobicContact CD1-SD 3.71Å; L48-F217 HydrophobicContact CD1-CE1 4.3Å; L48-L269 HydrophobicContact CD1-CD2 4.23Å; L48-L269 HydrophobicContact CD2-CD1 4.1Å; L48-L269 HydrophobicContact CD2-CD2 3.81Å
49L84.8Confident63.1Low23 Ų2363.9 Ų63.912%0.1239%0.385CS..EExtended strand (participates in β ladder)trans-122.6121.5170.4178.767.9000109.6L37 W46 I63 M72 V73 N74L37-L49 HydrophobicContact CD1-CD1 4.47Å; W46-L49 HydrophobicContact CE3-CB 3.98Å; W46-L49 HydrophobicContact CH2-CB 4.05Å; W46-L49 HydrophobicContact CZ3-CB 3.42Å; W46-L49 VanDerWaalsContact CZ3-CB 3.42Å; L49-I63 HydrophobicContact CD2-CD1 3.18Å; L49-M72 PolarHBondContact N-O 2.86Å; L49-V73 HydrophobicContact CB-CG2 4.35Å; L49-V73 WeakPolarHBondContact O-CA 3.08Å; L49-N74 PolarHBondContact O-N 2.83Å
50L85.9Confident63.5Low33 Ų3361 Ų6117%0.17337%0.366CS..  trans-110.9115.1176.6-59.9-178.6000110.3H14 L18 L48 N74 F217 L265H14-L50 WeakPolarHBondContact CD2-CD1 3.36Å; L18-L50 HydrophobicContact CD1-CD1 4.06Å; L48-L50 HydrophobicContact CD1-CD2 3.83Å; L48-L50 HydrophobicContact CD1-CG 4.33Å; L48-L50 HydrophobicContact CD2-CD1 4.1Å; L48-L50 HydrophobicContact CD2-CD2 4.23Å; L48-L50 HydrophobicContact CD2-CG 4.05Å; L48-L50 HydrophobicContact CG-CD2 4.08Å; L48-L50 HydrophobicContact CG-CG 4.01Å; L50-N74 HydrophobicContact CD2-CB 3.82Å; L50-F217 HydrophobicContact CD2-CE1 4.37Å; L50-F217 HydrophobicContact CD2-CZ 3.78Å; L50-L265 HydrophobicContact CD1-CD2 4.12Å; L50-L265 HydrophobicContact CD2-CD2 4.44Å
51C81.8Confident64.2Low9 Ų960.2 Ų60.26%0.06135%0.354CS..  trans-86.9115.2168.4-610000108.6C59 N74 L75C51-C59 HydrophobicContact CB-CB 3.85Å; C51-C59 WeakPolarHBondContact CB-SG 3.44Å; C51-C59 WeakPolarHBondContact SG-CB 3.34Å; C51-C59 CovalentContact SG-SG 2.04Å; C51-C59 PolarHBondContact SG-SG 3.34Å; C51-N74 PolarHBondContact N-OD1 3.4Å; C51-N74 PolarHBondContact O-ND2 2.85Å; C51-L75 HydrophobicContact CB-CD1 3.7Å; C51-L75 HydrophobicContact CB-CG 4.36Å; C51-L75 VanDerWaalsContact SG-CD1 3.59Å
52L79.3Confident64.9Low17 Ų1764 Ų649%0.08936%0.355CS..  trans-74.9150.6-177.9-59.2-179.9000111.1E10 V11 S54 S55E10-L52 HydrophobicContact CG-CD2 4.21Å; V11-L52 HydrophobicContact CG2-CD1 3.53Å; L52-S54 PolarHBondContact O-N 2.68Å; L52-S55 PolarHBondContact N-OG 3.29Å; L52-S55 WeakPolarHBondContact O-CB 3.47Å; L52-S55 PolarHBondContact O-N 2.86Å; L52-S55 PolarHBondContact O-OG 2.79Å
53S59.8Low65.8Low68 Ų6857 Ų5748%0.47632%0.318SS..THydrogen-bonded Turntrans-59.2-18.9-167.362.40000115.7E10E10-S53 PolarHBondContact OE1-N 3.38Å; E10-S53 PolarHBondContact OE2-OG 2.03Å; E10-S53 VanDerWaalsContact OE2-OG 3.11Å
54S55Low66.6Low54 Ų5459.5 Ų59.538%0.37831%0.314SS..THydrogen-bonded Turntrans-112.66.6174.490.20000115H4 L52H4-S54 PolarHBondContact CD2-OG 3.13Å; H4-S54 PolarHBondContact CE1-OG 3.28Å; H4-S54 WeakPolarHBondContact NE2-CB 3.37Å; H4-S54 PolarHBondContact NE2-OG 3.05Å; L52-S54 PolarHBondContact O-N 2.68Å
55S50.9Low67.1Low25 Ų2560.3 Ų60.318%0.17532%0.315CS..SBendtrans-71.8141.1174.662.20000110.4L52L52-S55 PolarHBondContact N-OG 3.29Å; L52-S55 WeakPolarHBondContact O-CB 3.47Å; L52-S55 PolarHBondContact O-N 2.86Å; L52-S55 PolarHBondContact O-OG 2.79Å
56E49.6Very low66.8Low84 Ų8460.4 Ų60.439%0.39331%0.306SS..  trans-46.5152.8-178-76.6-174.7169.900112.6S58 C59E56-S58 WeakPolarHBondContact CB-OG 3.38Å; E56-S58 PolarHBondContact O-N 2.88Å; E56-S58 PolarHBondContact OE2-OG 3.43Å; E56-C59 PolarHBondContact O-N 3.43Å
57P51.8Low66.1Low124 Ų12464.5 Ų64.581%0.80533%0.326SS*.G310 helixtrans-56.8-5.1171.323.2-32.9000113.7
58S52.9Low65.6Low10 Ų1063.7 Ų63.77%0.0732%0.318CS..G310 helixtrans-78.9-6.2177.864.40000115.3E56 L60 R61E56-S58 WeakPolarHBondContact CB-OG 3.38Å; E56-S58 PolarHBondContact O-N 2.88Å; E56-S58 PolarHBondContact OE2-OG 3.43Å; S58-L60 PolarHBondContact O-N 3.29Å; S58-R61 PolarHBondContact O-N 3.1Å; S58-R61 VanDerWaalsContact O-N 3.16Å
59C65.8Low64.6Low21 Ų2169.2 Ų69.214%0.14234%0.343CS..G310 helixtrans-51.6-27.6179.7-164.80000113A31 C51 E56A31-C59 WeakPolarHBondContact CB-O 3.02Å; C51-C59 HydrophobicContact CB-CB 3.85Å; C51-C59 WeakPolarHBondContact CB-SG 3.44Å; C51-C59 WeakPolarHBondContact SG-CB 3.34Å; C51-C59 CovalentContact SG-SG 2.04Å; C51-C59 PolarHBondContact SG-SG 3.34Å; E56-C59 PolarHBondContact O-N 3.43Å
60L60.8Low63.9Low40 Ų4071.3 Ų71.321%0.20935%0.352CS..G310 helixtrans-113.20.1-173.7-60.5176.9000115.3S58 R62 I63 F65 V73 L75S58-L60 PolarHBondContact O-N 3.29Å; L60-R62 PolarHBondContact O-N 2.68Å; L60-I63 HydrophobicContact CD2-CD1 4.13Å; L60-I63 PolarHBondContact O-N 2.92Å; L60-I63 VanDerWaalsContact O-N 3.09Å; L60-F65 HydrophobicContact CD1-CE2 4.11Å; L60-F65 HydrophobicContact CD1-CZ 3.62Å; L60-F65 HydrophobicContact CD2-CE1 4.47Å; L60-F65 HydrophobicContact CD2-CE2 4.39Å; L60-F65 HydrophobicContact CD2-CZ 3.68Å; L60-F65 HydrophobicContact CG-CZ 4.13Å; L60-V73 HydrophobicContact CD2-CG1 4.29Å; L60-L75 HydrophobicContact CD1-CB 4.15Å; L60-L75 HydrophobicContact CD1-CD1 3.41Å; L60-L75 VanDerWaalsContact CD1-CD1 3.41Å; L60-L75 HydrophobicContact CD1-CG 4.4Å; L60-L75 HydrophobicContact CD2-CD1 4.06Å; L60-L75 HydrophobicContact CG-CD1 3.77Å
61R62.7Low63.5Low184 Ų18470.3 Ų70.369%0.69435%0.347SS*.THydrogen-bonded Turntrans-58.6-15.2-172.7-85.9-179.9-178.4-179.4-1.3115S58S58-R61 PolarHBondContact O-N 3.1Å; S58-R61 VanDerWaalsContact O-N 3.16Å
62R58.9Low63.6Low166 Ų16670.6 Ų70.663%0.62635%0.347SS*.THydrogen-bonded Turntrans-121.52.4179.6-65.9-170.5179.9-167.7-2.2115E32 L60E32-R62 HydrophobicContact CG-CG 4.26Å; L60-R62 PolarHBondContact O-N 2.68Å
63I65.1Low63.8Low30 Ų3069.8 Ų69.815%0.15434%0.343CS..  trans-97.2119.3-177.2-58.6-179.9000109.1L49 L60 L68L49-I63 HydrophobicContact CD2-CD1 3.18Å; L60-I63 HydrophobicContact CD2-CD1 4.13Å; L60-I63 PolarHBondContact O-N 2.92Å; L60-I63 VanDerWaalsContact O-N 3.09Å; I63-L68 HydrophobicContact CG2-CD1 4.3Å; I63-L68 HydrophobicContact CG2-CD2 4.13Å
64R66.2Low65.1Low174 Ų17467.9 Ų67.966%0.65733%0.328SS*.  trans-88.7105.9169.7-66.7-174.7-175.3175.22.8108.6S66 H67R64-S66 PolarHBondContact O-N 3.18Å; R64-H67 PolarHBondContact O-N 3.26Å
65F67.1Low66.5Low33 Ų3366.6 Ų66.615%0.14532%0.316CS..G310 helixtrans-57.7-30.4-179.6-71.4-86000113.2L60 H67 L68 P77 C213L60-F65 HydrophobicContact CD1-CE2 4.11Å; L60-F65 HydrophobicContact CD1-CZ 3.62Å; L60-F65 HydrophobicContact CD2-CE1 4.47Å; L60-F65 HydrophobicContact CD2-CE2 4.39Å; L60-F65 HydrophobicContact CD2-CZ 3.68Å; L60-F65 HydrophobicContact CG-CZ 4.13Å; F65-H67 PolarHBondContact O-N 3.49Å; F65-H67 VanDerWaalsContact O-N 3.16Å; F65-L68 HydrophobicContact CD1-CD1 3.77Å; F65-L68 HydrophobicContact CE1-CD1 4.38Å; F65-L68 HydrophobicContact CG-CD1 4.47Å; F65-L68 WeakPolarHBondContact O-CB 3.04Å; F65-L68 PolarHBondContact O-N 3.32Å; F65-L68 VanDerWaalsContact O-N 3.13Å; F65-P77 HydrophobicContact CD1-CG 4.2Å; F65-P77 HydrophobicContact CD2-CG 3.9Å; F65-P77 HydrophobicContact CE1-CG 3.96Å; F65-P77 HydrophobicContact CE2-CG 3.65Å; F65-P77 HydrophobicContact CG-CG 4.17Å; F65-P77 HydrophobicContact CZ-CG 3.68Å; F65-C213 HydrophobicContact CD1-CB 4.22Å
66S61.6Low68.1Low65 Ų6565.5 Ų65.546%0.45531%0.308SS..G310 helixtrans-62.1-17.9174.254.60000114.7R64R64-S66 PolarHBondContact O-N 3.18Å
67H64.7Low69.5Low117 Ų11763.5 Ų63.554%0.54230%0.302SS..G310 helixtrans-98.40.6179.7-62-176.5000112.6R64 F65 Q69R64-H67 PolarHBondContact O-N 3.26Å; F65-H67 PolarHBondContact O-N 3.49Å; F65-H67 VanDerWaalsContact O-N 3.16Å; H67-Q69 PolarHBondContact O-N 2.91Å
68L69.3Low70.9Confident30 Ų3059.3 Ų59.316%0.15727%0.272CS..  trans-83.1106.4-179.4-57.1178.8000110.1W46 I63 F65 Q71 V73W46-L68 HydrophobicContact CH2-CD2 3.94Å; W46-L68 HydrophobicContact CZ2-CD2 3.98Å; I63-L68 HydrophobicContact CG2-CD1 4.3Å; I63-L68 HydrophobicContact CG2-CD2 4.13Å; F65-L68 HydrophobicContact CD1-CD1 3.77Å; F65-L68 HydrophobicContact CE1-CD1 4.38Å; F65-L68 HydrophobicContact CG-CD1 4.47Å; F65-L68 WeakPolarHBondContact O-CB 3.04Å; F65-L68 PolarHBondContact O-N 3.32Å; F65-L68 VanDerWaalsContact O-N 3.13Å; L68-Q71 VanDerWaalsContact CA-OE1 3.22Å; L68-Q71 HydrophobicContact CD2-CB 4.2Å; L68-Q71 VanDerWaalsContact CD2-OE1 3.31Å; L68-V73 HydrophobicContact CD1-CG2 3.89Å
69Q63.1Low72.5Confident147 Ų14758.9 Ų58.969%0.68727%0.269SS*.SBendtrans-96.3-50.3178.8-66.8-166.8-12.500112.3H67H67-Q69 PolarHBondContact O-N 2.91Å
70H69.4Low73.3Confident67 Ų6761.5 Ų61.531%0.3128%0.28SS..SBendtrans-122-0.1-175.764.2-85.5000113.4S44 L215 H274S44-H70 PolarHBondContact OG-CE1 2.89Å; S44-H70 PolarHBondContact OG-NE2 2.9Å; H70-L215 VanDerWaalsContact C-CD1 3.42Å; H70-H274 HydrophobicContact CB-CB 3.44Å; H70-H274 VanDerWaalsContact CB-CB 3.44Å
71Q78.7Confident74.3Confident12 Ų1263.8 Ų63.86%0.05629%0.29CS..  trans-92.7142.7-176.6-54.3115.3-33.300112.1S44 W46 L68 L215S44-Q71 PolarHBondContact OG-NE2 3.29Å; W46-Q71 HydrophobicContact CD2-CB 4.35Å; W46-Q71 HydrophobicContact CD2-CG 3.91Å; W46-Q71 HydrophobicContact CE3-CB 3.87Å; W46-Q71 HydrophobicContact CE3-CG 3.93Å; W46-Q71 HydrophobicContact CH2-CB 3.37Å; W46-Q71 HydrophobicContact CH2-CG 3.76Å; W46-Q71 HydrophobicContact CZ2-CB 3.88Å; W46-Q71 HydrophobicContact CZ2-CG 3.72Å; W46-Q71 HydrophobicContact CZ3-CB 3.39Å; W46-Q71 HydrophobicContact CZ3-CG 3.89Å; W46-Q71 VanDerWaalsContact O-CG 3.26Å; W46-Q71 WeakPolarHBondContact O-CG 3.46Å; L68-Q71 VanDerWaalsContact CA-OE1 3.22Å; L68-Q71 HydrophobicContact CD2-CB 4.2Å; L68-Q71 VanDerWaalsContact CD2-OE1 3.31Å; Q71-L215 WeakPolarHBondContact O-CB 3.41Å
72M82.3Confident75.4Confident14 Ų1455 Ų557%0.06926%0.257CS..EExtended strand (participates in β ladder)trans-106140.1-179.8-178.5-179-53.700111.9S47 L48 L49 L215 F217 L268 L269 R309S47-M72 PolarHBondContact O-N 3.2Å; L48-M72 CarbonylContact C-O 3.52Å; L48-M72 WeakPolarHBondContact CA-O 3.36Å; L48-M72 HydrophobicContact CD1-CB 3.75Å; L48-M72 HydrophobicContact CD1-CG 3.63Å; L48-M72 HydrophobicContact CD1-SD 3.71Å; L49-M72 PolarHBondContact N-O 2.86Å; M72-L215 VanDerWaalsContact CA-O 3.22Å; M72-L215 WeakPolarHBondContact CA-O 3.28Å; M72-L215 HydrophobicContact CB-CB 4.34Å; M72-L215 WeakPolarHBondContact CG-O 3.41Å; M72-F217 HydrophobicContact CG-CD1 3.79Å; M72-F217 HydrophobicContact CG-CE1 3.67Å; M72-F217 HydrophobicContact SD-CD1 3.91Å; M72-F217 HydrophobicContact SD-CE1 3.65Å; M72-L268 HydrophobicContact SD-CB 4.47Å; M72-L269 HydrophobicContact CE-CD2 4.36Å; M72-L269 HydrophobicContact SD-CD2 3.82Å; M72-R309 VanDerWaalsContact CE-NH1 3.33Å
73V84Confident76.8Confident0 Ų047.2 Ų47.20%023%0.227CC..EExtended strand (participates in β ladder)trans-135.5140.6178.6-171.40000110.4W46 L49 L60 L68 L75 L215 C216 F217W46-V73 HydrophobicContact CH2-CG2 4.18Å; W46-V73 HydrophobicContact CZ3-CG2 4.4Å; L49-V73 HydrophobicContact CB-CG2 4.35Å; L49-V73 WeakPolarHBondContact O-CA 3.08Å; L60-V73 HydrophobicContact CD2-CG1 4.29Å; L68-V73 HydrophobicContact CD1-CG2 3.89Å; V73-L75 HydrophobicContact CG1-CB 4.36Å; V73-L75 PolarHBondContact O-N 2.9Å; V73-L215 PolarHBondContact N-O 3.24Å; V73-C216 VanDerWaalsContact O-CA 3.26Å; V73-C216 WeakPolarHBondContact O-CA 3.16Å; V73-F217 PolarHBondContact O-N 3.34Å
74N87.3Confident77.8Confident29 Ų2947.2 Ų47.216%0.15523%0.23CC..SBendtrans-85.231.9-179.174.6-38.8000114.5L49 L50 C51 F217L49-N74 PolarHBondContact O-N 2.83Å; L50-N74 HydrophobicContact CD2-CB 3.82Å; C51-N74 PolarHBondContact N-OD1 3.4Å; C51-N74 PolarHBondContact O-ND2 2.85Å; N74-F217 CarbonylContact C-O 3.55Å; N74-F217 WeakPolarHBondContact CA-O 3.27Å; N74-F217 HydrophobicContact CB-CD1 4.48Å; N74-F217 HydrophobicContact CB-CD2 4.06Å; N74-F217 HydrophobicContact CB-CE1 3.88Å; N74-F217 HydrophobicContact CB-CE2 3.42Å; N74-F217 VanDerWaalsContact CB-CE2 3.42Å; N74-F217 HydrophobicContact CB-CZ 3.33Å; N74-F217 VanDerWaalsContact O-O 3.1Å
75L83.4Confident78.6Confident27 Ų2741.7 Ų41.714%0.14121%0.214CC..  trans-138.8135.3178.8-67171.3000110.7C51 L60 V73 M80 C216 F217C51-L75 HydrophobicContact CB-CD1 3.7Å; C51-L75 HydrophobicContact CB-CG 4.36Å; C51-L75 VanDerWaalsContact SG-CD1 3.59Å; L60-L75 HydrophobicContact CD1-CB 4.15Å; L60-L75 HydrophobicContact CD1-CD1 3.41Å; L60-L75 VanDerWaalsContact CD1-CD1 3.41Å; L60-L75 HydrophobicContact CD1-CG 4.4Å; L60-L75 HydrophobicContact CD2-CD1 4.06Å; L60-L75 HydrophobicContact CG-CD1 3.77Å; V73-L75 HydrophobicContact CG1-CB 4.36Å; V73-L75 PolarHBondContact O-N 2.9Å; L75-M80 HydrophobicContact CD2-CG 4.45Å; L75-M80 HydrophobicContact CD2-SD 4.17Å; L75-C216 WeakPolarHBondContact O-CB 3.39Å; L75-C216 PolarHBondContact O-SG 2.94Å; L75-C216 VanDerWaalsContact O-SG 3.4Å; L75-F217 PolarHBondContact N-O 2.02Å
76L84.5Confident79.3Confident2 Ų242.1 Ų42.11%0.0122%0.224CC..  trans-109.4105.1170.2-72.1163.1000107.7E78 L79 M80 V141 V144 C216 Q218L76-E78 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact O-N 3.11Å; L76-L79 HydrophobicContact CB-CB 4.23Å; L76-L79 HydrophobicContact CB-CD1 4.09Å; L76-L79 HydrophobicContact CB-CG 4.06Å; L76-L79 HydrophobicContact CD1-CD1 3.62Å; L76-L79 HydrophobicContact CD1-CG 4.38Å; L76-L79 HydrophobicContact CG-CD1 4.5Å; L76-L79 PolarHBondContact O-N 2.8Å; L76-M80 WeakPolarHBondContact O-CG 3.44Å; L76-M80 PolarHBondContact O-N 2.98Å; L76-V141 HydrophobicContact CD1-CB 3.97Å; L76-V141 HydrophobicContact CD1-CG1 3.8Å; L76-V144 HydrophobicContact CD1-CG1 4.29Å; L76-C216 HydrophobicContact CD2-CB 3.51Å; L76-C216 HydrophobicContact CG-CB 4.18Å; L76-Q218 HydrophobicContact CB-CB 4.27Å; L76-Q218 HydrophobicContact CD1-CB 3.96Å; L76-Q218 HydrophobicContact CG-CB 4.18Å; L76-Q218 PolarHBondContact O-OE1 3.26Å
77P79.2Confident80.1Confident41 Ų4140.8 Ų40.827%0.26622%0.22SC..Hα-helixtrans-50.6-37.3-178.8-28.135.3000112.9F65 M80 E81F65-P77 HydrophobicContact CD1-CG 4.2Å; F65-P77 HydrophobicContact CD2-CG 3.9Å; F65-P77 HydrophobicContact CE1-CG 3.96Å; F65-P77 HydrophobicContact CE2-CG 3.65Å; F65-P77 HydrophobicContact CG-CG 4.17Å; F65-P77 HydrophobicContact CZ-CG 3.68Å; P77-M80 PolarHBondContact O-N 3.07Å; P77-E81 WeakPolarHBondContact O-CB 3.5Å; P77-E81 PolarHBondContact O-N 2.93Å
78E82.4Confident80.8Confident37 Ų3742.7 Ų42.717%0.17323%0.229CC..Hα-helixtrans-60.7-49.7179.6-59.288.2163.500111L76 E81 A82 V144 Q205L76-E78 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact O-N 3.11Å; E78-E81 PolarHBondContact O-N 3.41Å; E78-A82 VanDerWaalsContact O-CB 3.3Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 3.37Å; E78-V144 HydrophobicContact CB-CG1 4.48Å; E78-V144 HydrophobicContact CB-CG2 4.3Å; E78-V144 HydrophobicContact CG-CG2 4.09Å; E78-Q205 PolarHBondContact O-NE2 2.75Å; E78-Q205 PolarHBondContact O-OE1 3.46Å
79L86.6Confident81.3Confident0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-71.4-36.5-180-59.4-178.7000112.2L76 E81 A82 F83 V141 V144 A201 L220L76-L79 HydrophobicContact CB-CB 4.23Å; L76-L79 HydrophobicContact CB-CD1 4.09Å; L76-L79 HydrophobicContact CB-CG 4.06Å; L76-L79 HydrophobicContact CD1-CD1 3.62Å; L76-L79 HydrophobicContact CD1-CG 4.38Å; L76-L79 HydrophobicContact CG-CD1 4.5Å; L76-L79 PolarHBondContact O-N 2.8Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 2.93Å; L79-A82 PolarHBondContact O-N 3.5Å; L79-F83 HydrophobicContact CB-CD2 4.27Å; L79-F83 HydrophobicContact CB-CE2 4.36Å; L79-F83 HydrophobicContact CD2-CE2 4.17Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.38Å; L79-F83 PolarHBondContact O-N 3.13Å; L79-V141 HydrophobicContact CD1-CB 3.85Å; L79-V141 HydrophobicContact CD1-CG1 3.81Å; L79-V141 HydrophobicContact CD1-CG2 3.96Å; L79-V144 HydrophobicContact CD1-CG1 4.04Å; L79-V144 HydrophobicContact CD2-CG1 3.81Å; L79-V144 HydrophobicContact CG-CG1 3.75Å; L79-A201 HydrophobicContact CD2-CB 4.29Å; L79-L220 HydrophobicContact CD1-CD1 4.13Å
80M82.7Confident82.4Confident76 Ų7639.2 Ų39.237%0.37421%0.207SC..Hα-helixtrans-57.8-44174.3-75.6-64.5-6000111.6L75 L76 P77 S84 Q218 P239L75-M80 HydrophobicContact CD2-CG 4.45Å; L75-M80 HydrophobicContact CD2-SD 4.17Å; L76-M80 WeakPolarHBondContact O-CG 3.44Å; L76-M80 PolarHBondContact O-N 2.98Å; P77-M80 PolarHBondContact O-N 3.07Å; M80-S84 WeakPolarHBondContact O-CB 3.32Å; M80-S84 PolarHBondContact O-N 3.44Å; M80-Q218 PolarHBondContact SD-NE2 3.04Å; M80-P239 HydrophobicContact SD-CB 3.8Å
81E81.3Confident83.2Confident88 Ų8836 Ų3641%0.41119%0.193SC..Hα-helixtrans-70.4-46.3176.7175.4161.3-162.400111.8P77 E78 L79 F83 S84 R92P77-E81 WeakPolarHBondContact O-CB 3.5Å; P77-E81 PolarHBondContact O-N 2.93Å; E78-E81 PolarHBondContact O-N 3.41Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 2.93Å; E81-F83 VanDerWaalsContact C-N 3.33Å; E81-F83 PolarHBondContact O-N 3.14Å; E81-S84 WeakPolarHBondContact O-CB 2.97Å; E81-S84 PolarHBondContact O-N 2.64Å; E81-S84 VanDerWaalsContact O-N 3.14Å; E81-S84 PolarHBondContact O-OG 3.37Å; E81-R92 VanDerWaalsContact CD-NH1 3.34Å; E81-R92 WeakPolarHBondContact O-CD 3.21Å; E81-R92 IonicContact OE1-CZ 2.65Å; E81-R92 IonicContact OE1-NH1 2.66Å; E81-R92 PolarHBondContact OE1-NH1 2.81Å
82A86.4Confident83.6Confident1 Ų140.8 Ų40.81%0.00821%0.21CC..Hα-helixtrans-58.9-43-177.400000112.4E78 L79 R92 F93 A201E78-A82 VanDerWaalsContact O-CB 3.3Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 3.37Å; L79-A82 PolarHBondContact O-N 3.5Å; A82-R92 PolarHBondContact O-N 3.19Å; A82-R92 VanDerWaalsContact O-N 3.11Å; A82-F93 HydrophobicContact CB-CD1 4.04Å; A82-F93 WeakPolarHBondContact O-CD1 3.49Å; A82-A201 HydrophobicContact CB-CB 3.84Å
83F88.3Confident83.7Confident1 Ų140.3 Ų40.30%0.00421%0.208CC..THydrogen-bonded Turntrans-937.3-179.8-61.3-60.5000114.1L79 E81 F93 C109 V197 L198 A201 L220 F222 V237L79-F83 HydrophobicContact CB-CD2 4.27Å; L79-F83 HydrophobicContact CB-CE2 4.36Å; L79-F83 HydrophobicContact CD2-CE2 4.17Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.38Å; L79-F83 PolarHBondContact O-N 3.13Å; E81-F83 VanDerWaalsContact C-N 3.33Å; E81-F83 PolarHBondContact O-N 3.14Å; F83-F93 AromaticContact CD1-CE1 3.92Å; F83-F93 HydrophobicContact CD1-CE1 3.92Å; F83-F93 AromaticContact CE1-CE1 3.77Å; F83-F93 HydrophobicContact CE1-CE1 3.77Å; F83-F93 HydrophobicContact CE1-CZ 4.25Å; F83-C109 WeakPolarHBondContact O-CB 3.28Å; F83-V197 HydrophobicContact CE1-CG1 3.83Å; F83-V197 HydrophobicContact CZ-CG1 4.11Å; F83-L198 HydrophobicContact CE2-CD2 4.37Å; F83-L198 HydrophobicContact CZ-CD2 4.31Å; F83-A201 HydrophobicContact CE1-CB 4.19Å; F83-A201 HydrophobicContact CE2-CB 4.1Å; F83-A201 HydrophobicContact CZ-CB 3.67Å; F83-L220 HydrophobicContact CE2-CD1 3.98Å; F83-F222 HydrophobicContact CZ-CZ 4.29Å; F83-V237 HydrophobicContact CD1-CB 3.95Å; F83-V237 HydrophobicContact CD1-CG1 3.77Å; F83-V237 HydrophobicContact CD1-CG2 4.38Å; F83-V237 HydrophobicContact CD2-CG1 4.15Å; F83-V237 HydrophobicContact CE1-CB 4.15Å; F83-V237 HydrophobicContact CE1-CG1 3.84Å; F83-V237 HydrophobicContact CE1-CG2 4.14Å; F83-V237 HydrophobicContact CE2-CG1 4.2Å; F83-V237 HydrophobicContact CG-CB 4.47Å; F83-V237 HydrophobicContact CG-CG1 3.94Å; F83-V237 HydrophobicContact CZ-CG1 4.06Å
84S84.9Confident83.5Confident31 Ų3142 Ų4222%0.21721%0.214CC..SBendtrans-68.4151.217368.20000111.8M80 E81 A86 R92M80-S84 WeakPolarHBondContact O-CB 3.32Å; M80-S84 PolarHBondContact O-N 3.44Å; E81-S84 WeakPolarHBondContact O-CB 2.97Å; E81-S84 PolarHBondContact O-N 2.64Å; E81-S84 VanDerWaalsContact O-N 3.14Å; E81-S84 PolarHBondContact O-OG 3.37Å; S84-A86 PolarHBondContact O-N 3.06Å; S84-R92 WeakPolarHBondContact OG-CD 3.48Å; S84-R92 WeakPolarHBondContact OG-CG 2.95Å; S84-R92 PolarHBondContact OG-NE 3.11Å
85D83.4Confident82.9Confident58 Ų5846.6 Ų46.631%0.3124%0.238SC..BIsolated β-bridgetrans-70.1110.6177.1-162.2-16.5000109.7G87 G89 S112D85-G87 WeakPolarHBondContact OD1-CA 3.19Å; D85-G87 PolarHBondContact OD1-N 2.72Å; D85-G89 PolarHBondContact OD1-N 2.75Å; D85-S112 PolarHBondContact OD1-OG 3.38Å; D85-S112 WeakPolarHBondContact OD2-CB 3.13Å; D85-S112 PolarHBondContact OD2-OG 2.71Å
86A81.8Confident82.3Confident42 Ų4251.4 Ų51.435%0.34726%0.26SS..  trans-84.62.717400000112.7S84 R90 R92 L95S84-A86 PolarHBondContact O-N 3.06Å; A86-R90 WeakPolarHBondContact CB-O 3.5Å; A86-R90 PolarHBondContact N-O 3.06Å; A86-R92 HydrophobicContact CB-CG 4.02Å; A86-L95 HydrophobicContact CB-CD1 4Å; A86-L95 HydrophobicContact CB-CG 4.45Å
87G78.1Confident81.8Confident36 Ų3653.5 Ų53.537%0.37127%0.271SS..SBendtrans114.5141.8-171.400000111.3D85 G89 R90D85-G87 WeakPolarHBondContact OD1-CA 3.19Å; D85-G87 PolarHBondContact OD1-N 2.72Å; G87-G89 PolarHBondContact O-N 3.23Å; G87-R90 PolarHBondContact O-N 3Å
88E79.6Confident80.7Confident157 Ų15757.9 Ų57.973%0.73430%0.297SS*.THydrogen-bonded Turntrans52.922.5177.9-55.6-177.6167.400114.6V107E88-V107 WeakPolarHBondContact O-CG1 3.41Å
89G80.7Confident79.3Confident0 Ų065.9 Ų65.90%033%0.334CS..THydrogen-bonded Turntrans79.216.7177.900000114.5D85 G87 V107 S108 C109 S112D85-G89 PolarHBondContact OD1-N 2.75Å; G87-G89 PolarHBondContact O-N 3.23Å; G89-V107 CarbonylContact O-C 3.57Å; G89-V107 WeakPolarHBondContact O-CA 3.28Å; G89-S108 PolarHBondContact O-N 3.41Å; G89-C109 CarbonylContact C-O 3.48Å; G89-C109 VanDerWaalsContact C-O 3.24Å; G89-C109 WeakPolarHBondContact CA-O 3.26Å; G89-C109 PolarHBondContact O-N 2.87Å; G89-S112 WeakPolarHBondContact CA-OG 3.15Å; G89-S112 PolarHBondContact N-OG 2.57Å
90R85.6Confident77.9Confident105 Ų10568.4 Ų68.440%0.39636%0.356SS..BIsolated β-bridgetrans-83.1137.9174.5-67.9-179.5173.9-108.72.6110.8A86 G87 V107A86-R90 WeakPolarHBondContact CB-O 3.5Å; A86-R90 PolarHBondContact N-O 3.06Å; G87-R90 PolarHBondContact O-N 3Å; R90-V107 HydrophobicContact CG-CG2 4.33Å
91C87.1Confident77.2Confident0 Ų073.2 Ų73.20%038%0.383CS..BIsolated β-bridgetrans-74.2148.8172.6-440000110.1F93 Y94 M104 C109C91-F93 VanDerWaalsContact C-N 3.32Å; C91-F93 HydrophobicContact CB-CD1 3.87Å; C91-F93 HydrophobicContact CB-CE1 3.39Å; C91-F93 HydrophobicContact CB-CE2 4.31Å; C91-F93 HydrophobicContact CB-CZ 3.64Å; C91-F93 PolarHBondContact O-N 3.36Å; C91-Y94 HydrophobicContact CB-CD2 3.99Å; C91-Y94 WeakPolarHBondContact O-CB 3.25Å; C91-Y94 PolarHBondContact O-N 3.11Å; C91-Y94 VanDerWaalsContact O-N 3.09Å; C91-M104 WeakPolarHBondContact SG-CE 3.14Å; C91-C109 HydrophobicContact CB-CB 3.84Å; C91-C109 WeakPolarHBondContact CB-SG 3.09Å; C91-C109 WeakPolarHBondContact SG-CB 3.05Å; C91-C109 CovalentContact SG-SG 2.02Å; C91-C109 PolarHBondContact SG-SG 3.08Å
92R85.9Confident77.3Confident111 Ų11170.2 Ų70.242%0.41937%0.369SS..G310 helixtrans-57.9-39.9-176-81.4-165.6-174.2178.72.5114.2E81 A82 S84 A86 Y94 L95E81-R92 VanDerWaalsContact CD-NH1 3.34Å; E81-R92 WeakPolarHBondContact O-CD 3.21Å; E81-R92 IonicContact OE1-CZ 2.65Å; E81-R92 IonicContact OE1-NH1 2.66Å; E81-R92 PolarHBondContact OE1-NH1 2.81Å; A82-R92 PolarHBondContact O-N 3.19Å; A82-R92 VanDerWaalsContact O-N 3.11Å; S84-R92 WeakPolarHBondContact OG-CD 3.48Å; S84-R92 WeakPolarHBondContact OG-CG 2.95Å; S84-R92 PolarHBondContact OG-NE 3.11Å; A86-R92 HydrophobicContact CB-CG 4.02Å; R92-Y94 PolarHBondContact O-N 3.23Å; R92-Y94 VanDerWaalsContact O-N 3.15Å; R92-L95 WeakPolarHBondContact O-CB 3.11Å; R92-L95 PolarHBondContact O-N 2.73Å
93F84.1Confident77.4Confident5 Ų572.5 Ų72.52%0.02238%0.384CS..G310 helixtrans-65.2-18.5-178.560.3-99.2000113.3A82 F83 C91 L95 Q96 L97 M104 V197 V200 A201 N204A82-F93 HydrophobicContact CB-CD1 4.04Å; A82-F93 WeakPolarHBondContact O-CD1 3.49Å; F83-F93 AromaticContact CD1-CE1 3.92Å; F83-F93 HydrophobicContact CD1-CE1 3.92Å; F83-F93 AromaticContact CE1-CE1 3.77Å; F83-F93 HydrophobicContact CE1-CE1 3.77Å; F83-F93 HydrophobicContact CE1-CZ 4.25Å; C91-F93 VanDerWaalsContact C-N 3.32Å; C91-F93 HydrophobicContact CB-CD1 3.87Å; C91-F93 HydrophobicContact CB-CE1 3.39Å; C91-F93 HydrophobicContact CB-CE2 4.31Å; C91-F93 HydrophobicContact CB-CZ 3.64Å; C91-F93 PolarHBondContact O-N 3.36Å; F93-L95 PolarHBondContact O-N 3.3Å; F93-Q96 PolarHBondContact O-N 2.75Å; F93-L97 HydrophobicContact CD2-CD1 3.71Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 WeakPolarHBondContact O-CG 3.26Å; F93-L97 PolarHBondContact O-N 2.88Å; F93-M104 HydrophobicContact CZ-CE 4.23Å; F93-M104 HydrophobicContact CZ-SD 4.02Å; F93-V197 HydrophobicContact CZ-CG1 4.44Å; F93-V200 HydrophobicContact CB-CG1 4.35Å; F93-V200 HydrophobicContact CD2-CG1 3.58Å; F93-V200 HydrophobicContact CE2-CG1 4.13Å; F93-V200 HydrophobicContact CG-CG1 4.12Å; F93-A201 HydrophobicContact CD1-CB 4.22Å; F93-A201 HydrophobicContact CE1-CB 4.18Å; F93-N204 HydrophobicContact CB-CB 4.16Å
94Y81.2Confident77.4Confident35 Ų3573 Ų7314%0.13739%0.387CS..G310 helixtrans-69.6-17.7172.2-85.4-70.2000113.9C91 R92 Q96 L97 L102 M104C91-Y94 HydrophobicContact CB-CD2 3.99Å; C91-Y94 WeakPolarHBondContact O-CB 3.25Å; C91-Y94 PolarHBondContact O-N 3.11Å; C91-Y94 VanDerWaalsContact O-N 3.09Å; R92-Y94 PolarHBondContact O-N 3.23Å; R92-Y94 VanDerWaalsContact O-N 3.15Å; Y94-Q96 PolarHBondContact O-N 2.83Å; Y94-L97 HydrophobicContact CD1-CD1 3.74Å; Y94-L97 HydrophobicContact CE1-CD1 4.04Å; Y94-L97 HydrophobicContact CG-CD1 4.26Å; Y94-L102 HydrophobicContact CE1-CD1 4.12Å; Y94-M104 HydrophobicContact CE2-CE 4.31Å; Y94-M104 HydrophobicContact CE2-CG 4.41Å; Y94-M104 HydrophobicContact CE2-SD 4Å; Y94-M104 WeakPolarHBondContact OH-CB 3.32Å; Y94-M104 WeakPolarHBondContact OH-CG 3.16Å; Y94-M104 PolarHBondContact OH-O 2.65Å
95L74.3Confident77.5Confident125 Ų12575.8 Ų75.865%0.65439%0.392SS*.G310 helixtrans-71.9-18.7173.5-61.4176.6000112.5A86 R92 F93A86-L95 HydrophobicContact CB-CD1 4Å; A86-L95 HydrophobicContact CB-CG 4.45Å; R92-L95 WeakPolarHBondContact O-CB 3.11Å; R92-L95 PolarHBondContact O-N 2.73Å; F93-L95 PolarHBondContact O-N 3.3Å
96Q71.3Confident77.5Confident129 Ų12976.1 Ų76.160%0.60340%0.398SS*.SBendtrans-116.5-0.3-172.1-63.3177.2-10.600113.2F93 Y94 N204F93-Q96 PolarHBondContact O-N 2.75Å; Y94-Q96 PolarHBondContact O-N 2.83Å; Q96-N204 PolarHBondContact OE1-O 2.75Å
97L73.4Confident77.7Confident45 Ų4576 Ų7624%0.23639%0.393CS..  trans-87.8123.1-179.6-83.2162.7000111.5F93 Y94 A100 L102 V200F93-L97 HydrophobicContact CD2-CD1 3.71Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 WeakPolarHBondContact O-CG 3.26Å; F93-L97 PolarHBondContact O-N 2.88Å; Y94-L97 HydrophobicContact CD1-CD1 3.74Å; Y94-L97 HydrophobicContact CE1-CD1 4.04Å; Y94-L97 HydrophobicContact CG-CD1 4.26Å; L97-A100 HydrophobicContact CD2-CB 4.12Å; L97-L102 HydrophobicContact CD1-CD1 3.41Å; L97-L102 VanDerWaalsContact CD1-CD1 3.41Å; L97-L102 HydrophobicContact CD2-CD1 4.27Å; L97-L102 HydrophobicContact CG-CD1 4.5Å; L97-V200 HydrophobicContact CD1-CG1 3.93Å; L97-V200 HydrophobicContact CD2-CG1 3.96Å; L97-V200 HydrophobicContact CG-CG1 4.23Å
98T56Low78.1Confident134 Ų13474.3 Ų74.382%0.82238%0.375SS*.  trans-91.1107164.550.50000109.3A100T98-A100 PolarHBondContact O-N 3.03Å
99E53.3Low78.5Confident204 Ų20466.9 Ų66.995%0.95334%0.34SS*.SBendtrans34.253.4169.7-69-170154.300117.3
100A56.6Low78.4Confident54 Ų5468 Ų6845%0.44635%0.352SS..  trans-91.5126.6164.600000110L97 T98 L102L97-A100 HydrophobicContact CD2-CB 4.12Å; T98-A100 PolarHBondContact O-N 3.03Å; A100-L102 PolarHBondContact O-N 2.91Å
101D68.8Low77.6Confident176 Ų17669.2 Ų69.294%0.94138%0.377SS*.  trans-67.377.8171.4-77.8-27.9000110.7
102L83.1Confident76.8Confident26 Ų2671.8 Ų71.814%0.13640%0.395CS..  trans-74.6136.1171.6-87.7144.6000109.8Y94 L97 A100 M104 V197 V200Y94-L102 HydrophobicContact CE1-CD1 4.12Å; L97-L102 HydrophobicContact CD1-CD1 3.41Å; L97-L102 VanDerWaalsContact CD1-CD1 3.41Å; L97-L102 HydrophobicContact CD2-CD1 4.27Å; L97-L102 HydrophobicContact CG-CD1 4.5Å; A100-L102 PolarHBondContact O-N 2.91Å; L102-M104 HydrophobicContact CB-CB 4.35Å; L102-M104 PolarHBondContact O-N 3.44Å; L102-V197 HydrophobicContact CD2-CG2 4.09Å; L102-V200 HydrophobicContact CD1-CG1 4.35Å; L102-V200 HydrophobicContact CD1-CG2 4.35Å; L102-V200 HydrophobicContact CD2-CB 4.4Å; L102-V200 HydrophobicContact CD2-CG2 3.97Å
103P88.1Confident76.3Confident49 Ų4967.4 Ų67.432%0.31838%0.38SS..SBendtrans-74.245.3172.932.3-35.8000111.6A193 A196 V234P103-A193 HydrophobicContact CB-CB 4.22Å; P103-A193 HydrophobicContact CG-CB 4.13Å; P103-A196 HydrophobicContact CG-CB 4.16Å; P103-V234 PolarHBondContact O-N 2.91Å
104M88.3Confident75.6Confident12 Ų1275.3 Ų75.36%0.05942%0.417CS..BIsolated β-bridgetrans-143.6139.8-173.5178.2177.6-173.700109.6C91 F93 Y94 L102 V197 V234 V237C91-M104 WeakPolarHBondContact SG-CE 3.14Å; F93-M104 HydrophobicContact CZ-CE 4.23Å; F93-M104 HydrophobicContact CZ-SD 4.02Å; Y94-M104 HydrophobicContact CE2-CE 4.31Å; Y94-M104 HydrophobicContact CE2-CG 4.41Å; Y94-M104 HydrophobicContact CE2-SD 4Å; Y94-M104 WeakPolarHBondContact OH-CB 3.32Å; Y94-M104 WeakPolarHBondContact OH-CG 3.16Å; Y94-M104 PolarHBondContact OH-O 2.65Å; L102-M104 HydrophobicContact CB-CB 4.35Å; L102-M104 PolarHBondContact O-N 3.44Å; M104-V197 HydrophobicContact CB-CG2 3.73Å; M104-V197 HydrophobicContact CE-CG1 4.38Å; M104-V197 HydrophobicContact CG-CG2 4.24Å; M104-V197 HydrophobicContact SD-CB 4.27Å; M104-V197 HydrophobicContact SD-CG1 3.52Å; M104-V197 VanDerWaalsContact SD-CG1 3.52Å; M104-V197 HydrophobicContact SD-CG2 3.67Å; M104-V234 CarbonylContact C-O 3.57Å; M104-V234 WeakPolarHBondContact CA-O 3.49Å; M104-V234 HydrophobicContact CB-CB 3.88Å; M104-V234 HydrophobicContact CE-CG1 4.47Å; M104-V234 HydrophobicContact CG-CB 3.88Å; M104-V234 HydrophobicContact CG-CG1 4Å; M104-V234 HydrophobicContact SD-CG1 4.43Å; M104-V237 HydrophobicContact CE-CG2 3.87Å
105R86.8Confident75Confident89 Ų8979 Ų7934%0.33643%0.434SS..  trans-69.8141.1173.1-68.1-177.470.4-147.12.7109.7V107 S108 P116 V234 V235R105-V107 PolarHBondContact O-N 3.01Å; R105-V107 VanDerWaalsContact O-N 3.15Å; R105-S108 WeakPolarHBondContact O-CB 3.44Å; R105-S108 PolarHBondContact O-OG 3.14Å; R105-P116 VanDerWaalsContact NH1-CD 3.28Å; R105-V234 PolarHBondContact N-O 3.1Å; R105-V235 HydrophobicContact CG-CG1 4.23Å
106P83.7Confident74.8Confident65 Ų6574 Ų7442%0.42241%0.408SS..SBendtrans-58-31.3178.9-27.134.9000114
107V85.6Confident74.4Confident40 Ų4073 Ų7324%0.24241%0.413CS..BIsolated β-bridgetrans-101.5101.8174-177.40000107.8E88 G89 R90 R105 N113E88-V107 WeakPolarHBondContact O-CG1 3.41Å; G89-V107 CarbonylContact O-C 3.57Å; G89-V107 WeakPolarHBondContact O-CA 3.28Å; R90-V107 HydrophobicContact CG-CG2 4.33Å; R105-V107 PolarHBondContact O-N 3.01Å; R105-V107 VanDerWaalsContact O-N 3.15Å; V107-N113 HydrophobicContact CG1-CB 4.29Å
108S87.1Confident73.9Confident0 Ų072.2 Ų72.20%041%0.408CS..  trans-155.1-0.7-173.4-77.90000114.3G89 R105 N113 V235 Q236 V237G89-S108 PolarHBondContact O-N 3.41Å; R105-S108 WeakPolarHBondContact O-CB 3.44Å; R105-S108 PolarHBondContact O-OG 3.14Å; S108-N113 WeakPolarHBondContact CA-ND2 3.3Å; S108-V235 WeakPolarHBondContact OG-CA 3.2Å; S108-V235 PolarHBondContact OG-O 2.83Å; S108-V235 VanDerWaalsContact OG-O 3.13Å; S108-Q236 CarbonylContact O-C 3.48Å; S108-Q236 VanDerWaalsContact O-CA 3.25Å; S108-Q236 WeakPolarHBondContact O-CA 3.39Å; S108-V237 PolarHBondContact O-N 3Å
109C86.9Confident73.8Confident0 Ų070.5 Ų70.50%041%0.407CS..SBendtrans-116.5162.3179.3-74.10000111.2F83 G89 C91F83-C109 WeakPolarHBondContact O-CB 3.28Å; G89-C109 CarbonylContact C-O 3.48Å; G89-C109 VanDerWaalsContact C-O 3.24Å; G89-C109 WeakPolarHBondContact CA-O 3.26Å; G89-C109 PolarHBondContact O-N 2.87Å; C91-C109 HydrophobicContact CB-CB 3.84Å; C91-C109 WeakPolarHBondContact CB-SG 3.09Å; C91-C109 WeakPolarHBondContact SG-CB 3.05Å; C91-C109 CovalentContact SG-SG 2.02Å; C91-C109 PolarHBondContact SG-SG 3.08Å
110G78.8Confident73.5Confident25 Ų2567.5 Ų67.526%0.25839%0.393SS..SBendtrans74.3168.3174.100000116S112G110-S112 VanDerWaalsContact C-N 3.28Å
111S69.5Low72.6Confident129 Ų12972.7 Ų72.790%0.90241%0.413SS*.THydrogen-bonded Turntrans-77.2-14.7177.654.80000113.2N113S111-N113 VanDerWaalsContact C-N 3.32Å
112S69.6Low71Confident55 Ų5575 Ų7539%0.38541%0.409SS..THydrogen-bonded Turntrans-82.7-6.7178.864.60000113.6D85 G89 G110 Q114D85-S112 PolarHBondContact OD1-OG 3.38Å; D85-S112 WeakPolarHBondContact OD2-CB 3.13Å; D85-S112 PolarHBondContact OD2-OG 2.71Å; G89-S112 WeakPolarHBondContact CA-OG 3.15Å; G89-S112 PolarHBondContact N-OG 2.57Å; G110-S112 VanDerWaalsContact C-N 3.28Å; S112-Q114 PolarHBondContact O-N 3.38Å
113N76.7Confident68.8Low19 Ų1979 Ų7910%0.10244%0.437CS..  trans-65.7119.8175.8176.615.3000112.3V107 S108 S111 V235V107-N113 HydrophobicContact CG1-CB 4.29Å; S108-N113 WeakPolarHBondContact CA-ND2 3.3Å; S111-N113 VanDerWaalsContact C-N 3.32Å; N113-V235 PolarHBondContact ND2-O 3.22Å; N113-V235 VanDerWaalsContact ND2-O 3.11Å
114Q69.1Low66.5Low171 Ų17182.1 Ų82.180%0.79946%0.459SS*.  trans-87.3111.2168.9-63.5-174.720.500110.3S112S112-Q114 PolarHBondContact O-N 3.38Å
115K68.7Low64.2Low113 Ų11390.4 Ų90.449%0.49150%0.498SS..PPolyproline II helixtrans-57.3143.1176.2-69.5-177-178.6-167.40110.4
116P69.1Low61.6Low19 Ų1989.3 Ų89.312%0.12351%0.507CS..PPolyproline II helixtrans-66136.7176.626.9-26.6000109.1R105 M134 M225 V235R105-P116 VanDerWaalsContact NH1-CD 3.28Å; P116-M134 HydrophobicContact CG-CE 3.6Å; P116-M225 HydrophobicContact CG-SD 3.94Å; P116-V235 HydrophobicContact CG-CB 4.46Å; P116-V235 HydrophobicContact CG-CG1 4.29Å
117P62.7Low59.4Low108 Ų10892 Ų9270%0.70153%0.525SS*.PPolyproline II helixtrans-65.5147.6-177.626.3-33.7000110.7
118F62.8Low57.4Low29 Ų2995.8 Ų95.813%0.12755%0.553CS.*PPolyproline II helixtrans-64.2138.2167-69.3-93.9000108.8Q120 M134 K158 A159 S160 E161F118-Q120 PolarHBondContact O-N 3.04Å; F118-M134 HydrophobicContact CE1-CG 3.98Å; F118-M134 HydrophobicContact CZ-CB 4.2Å; F118-M134 HydrophobicContact CZ-CG 3.69Å; F118-K158 HydrophobicContact CZ-CB 4.32Å; F118-A159 WeakPolarHBondContact CD1-O 3.45Å; F118-A159 VanDerWaalsContact CE1-C 3.49Å; F118-A159 WeakPolarHBondContact CE1-O 3.32Å; F118-S160 WeakPolarHBondContact CZ-O 3.46Å; F118-E161 HydrophobicContact CD2-CB 3.63Å; F118-E161 HydrophobicContact CD2-CG 3.61Å; F118-E161 HydrophobicContact CE2-CB 3.91Å; F118-E161 HydrophobicContact CE2-CG 3.8Å
119A55.6Low55.4Low97 Ų97100.6 Ų100.680%0.80258%0.584SS**  trans-63.599.4-178.700000110.8
120Q45.6Very low53.6Low141 Ų141103.3 Ų103.366%0.65961%0.606SS**  trans-96.6121.3175.2-68.4175.515.100108.4F118F118-Q120 PolarHBondContact O-N 3.04Å
121N38Very low52.5Low163 Ų163107.5 Ų107.587%0.87262%0.623SS**  trans91.2107.3173.1-53.3-31.5000117.9
122R35Very low52.4Low224 Ų224103.7 Ų103.785%0.84559%0.594SS**  trans-135.2152.1152.7-101.1-172.1178179.1-0.1111.3
123P38.1Very low52.9Low112 Ų112101 Ų10173%0.72758%0.575SS**  trans-67.1151.7-176.7-14.228.9000113.2H125P123-H125 VanDerWaalsContact C-N 3.26Å; P123-H125 PolarHBondContact O-N 3.25Å
124S39.6Very low53.5Low113 Ų113100.9 Ų100.979%0.7957%0.574SS**THydrogen-bonded Turntrans-64.915-163.429.80000118.9
125H39.3Very low54.5Low187 Ų18792.8 Ų92.887%0.86654%0.536SS*.THydrogen-bonded Turntrans-139.538.3-175.4-78.7-62.3000115.9P123P123-H125 VanDerWaalsContact C-N 3.26Å; P123-H125 PolarHBondContact O-N 3.25Å
126A32.8Very low55.7Low65 Ų6588 Ų8854%0.53752%0.516SS..SBendtrans-109.7138.4167.200000111.3S128A126-S128 PolarHBondContact O-N 2.59Å
127P37Very low57Low122 Ų12287.1 Ų87.179%0.79251%0.51SS*.  trans-61.5132172.326.5-31.7000109P129P127-P129 WeakPolarHBondContact O-CD 3.47Å; P127-P129 VanDerWaalsContact O-N 3.17Å
128S43Very low58.6Low120 Ų12082 Ų8284%0.83948%0.477SS*.  trans-53114.4-170.256.50000112.8A126A126-S128 PolarHBondContact O-N 2.59Å
129P46.4Very low60.2Low101 Ų10180.6 Ų80.666%0.65647%0.471SS*.  trans-100.7132.7169.621.8-3.3000110.4P127 L131P127-P129 WeakPolarHBondContact O-CD 3.47Å; P127-P129 VanDerWaalsContact O-N 3.17Å; P129-L131 PolarHBondContact O-N 3.35Å
130A48.4Very low62.1Low56 Ų5676 Ų7646%0.46343%0.433SS..  trans12.1102.2162.400000117.5V132 G228A130-V132 PolarHBondContact O-N 3.22Å; A130-V132 VanDerWaalsContact O-N 3.12Å; A130-G228 VanDerWaalsContact CB-CA 3.41Å
131L55.7Low64.4Low114 Ų11469.3 Ų69.360%0.59740%0.401SS*.  trans-49117.9169.2-79.6156.5000110.8P129 A133 R177P129-L131 PolarHBondContact O-N 3.35Å; L131-A133 PolarHBondContact O-N 3.28Å; L131-R177 PolarHBondContact O-NH2 2.86Å
132V66.4Low66.8Low48 Ų4862 Ų6229%0.29136%0.363SS..  trans-59.5121.5169.4178.90000107.8A130 M225 F226A130-V132 PolarHBondContact O-N 3.22Å; A130-V132 VanDerWaalsContact O-N 3.12Å; V132-M225 HydrophobicContact CG1-CG 3.94Å; V132-M225 HydrophobicContact CG1-SD 4.31Å; V132-F226 VanDerWaalsContact CA-O 3.26Å; V132-F226 WeakPolarHBondContact CA-O 3.43Å
133A81.5Confident69.3Low0 Ų052 Ų520%033%0.327CS..EExtended strand (participates in β ladder)trans-119.5129.7-176.600000110.4L131 V135 V157 F173 F226L131-A133 PolarHBondContact O-N 3.28Å; A133-V135 HydrophobicContact CB-CG2 4.45Å; A133-V157 HydrophobicContact CB-CG1 4.24Å; A133-F173 HydrophobicContact CB-CZ 4.34Å; A133-F226 PolarHBondContact N-O 2.85Å; A133-F226 VanDerWaalsContact N-O 3.16Å; A133-F226 PolarHBondContact O-N 2.87Å
134M88.1Confident71.6Confident15 Ų1547.5 Ų47.57%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-89.9126168.1-70.5-67.8-177.700108.5P116 F118 V157 K158 T223 L224 M225 V235P116-M134 HydrophobicContact CG-CE 3.6Å; F118-M134 HydrophobicContact CE1-CG 3.98Å; F118-M134 HydrophobicContact CZ-CB 4.2Å; F118-M134 HydrophobicContact CZ-CG 3.69Å; M134-V157 CarbonylContact O-C 3.24Å; M134-V157 WeakPolarHBondContact O-CA 3.34Å; M134-K158 HydrophobicContact CB-CB 4.24Å; M134-K158 PolarHBondContact N-O 3.25Å; M134-K158 PolarHBondContact O-N 3.33Å; M134-T223 HydrophobicContact CB-CG2 4.33Å; M134-T223 HydrophobicContact SD-CG2 3.97Å; M134-L224 CarbonylContact C-O 3.5Å; M134-L224 WeakPolarHBondContact CA-O 3.12Å; M134-M225 HydrophobicContact CE-CB 4.02Å; M134-M225 HydrophobicContact CE-CG 3.75Å; M134-M225 HydrophobicContact CE-SD 3.56Å; M134-M225 VanDerWaalsContact CE-SD 3.56Å; M134-M225 HydrophobicContact SD-CB 3.77Å; M134-M225 HydrophobicContact SD-CG 3.97Å; M134-V235 HydrophobicContact CE-CG2 4.11Å; M134-V235 HydrophobicContact SD-CG2 3.72Å
135V91.5Very high73.5Confident1 Ų148.2 Ų48.21%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-125.4113.6-174.8-1770000109A133 V137 I155 V156 V157 F173 T223 L224 F226A133-V135 HydrophobicContact CB-CG2 4.45Å; V135-V137 HydrophobicContact CG1-CG1 3.98Å; V135-I155 HydrophobicContact CG1-CB 4Å; V135-I155 HydrophobicContact CG1-CD1 3.61Å; V135-I155 HydrophobicContact CG1-CG1 4.34Å; V135-I155 HydrophobicContact CG1-CG2 4.41Å; V135-V156 WeakPolarHBondContact CA-O 3.47Å; V135-V157 HydrophobicContact CG1-CG2 4.41Å; V135-V157 HydrophobicContact CG2-CG1 4.38Å; V135-V157 HydrophobicContact CG2-CG2 4.26Å; V135-F173 HydrophobicContact CG2-CE1 3.79Å; V135-F173 HydrophobicContact CG2-CE2 4.31Å; V135-F173 HydrophobicContact CG2-CZ 3.55Å; V135-T223 WeakPolarHBondContact O-CA 3.4Å; V135-L224 HydrophobicContact CB-CB 4.43Å; V135-L224 PolarHBondContact N-O 3.04Å; V135-L224 PolarHBondContact O-N 3.38Å; V135-F226 HydrophobicContact CB-CD2 4.37Å; V135-F226 HydrophobicContact CB-CE2 4.07Å; V135-F226 HydrophobicContact CG2-CD2 3.69Å; V135-F226 HydrophobicContact CG2-CE2 3.72Å
136N93.4Very high75.6Confident14 Ų1439.9 Ų39.98%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-80.6120.7168.7-72.44.7000108.9I155 V156 T221 F222 T223 S242N136-I155 WeakPolarHBondContact O-CA 3.38Å; N136-I155 WeakPolarHBondContact O-CB 3.43Å; N136-V156 HydrophobicContact CB-CB 4.27Å; N136-V156 PolarHBondContact N-O 2.87Å; N136-V156 PolarHBondContact O-N 3Å; N136-T221 HydrophobicContact CB-CG2 4.09Å; N136-F222 CarbonylContact C-O 3.54Å; N136-F222 WeakPolarHBondContact CA-O 3.42Å; N136-T223 WeakPolarHBondContact OD1-CG2 3.17Å; N136-T223 PolarHBondContact OD1-OG1 3.12Å; N136-S242 PolarHBondContact ND2-O 2.7Å
137V95.6Very high78.2Confident0 Ų037.3 Ų37.30%023%0.232CC..EExtended strand (participates in β ladder)trans-111.2142.3170.7-530000109.3V135 V139 L151 I155 I170 V194 F222 L224V135-V137 HydrophobicContact CG1-CG1 3.98Å; V137-V139 HydrophobicContact CG2-CG2 4.23Å; V137-L151 HydrophobicContact CB-CD1 4.08Å; V137-L151 HydrophobicContact CG2-CD1 4.17Å; V137-I155 HydrophobicContact CB-CG2 4.34Å; V137-I155 HydrophobicContact CG1-CG2 3.79Å; V137-I170 HydrophobicContact CG1-CD1 4.18Å; V137-V194 HydrophobicContact CG2-CG2 4.33Å; V137-F222 HydrophobicContact CG2-CB 3.62Å; V137-F222 PolarHBondContact N-O 3.16Å; V137-F222 PolarHBondContact O-N 3.44Å; V137-L224 HydrophobicContact CG1-CD1 3.77Å; V137-L224 HydrophobicContact CG1-CG 4.36Å; V137-L224 HydrophobicContact CG2-CD1 4Å; V137-L224 HydrophobicContact CG2-CG 4.21Å
138F96.1Very high80.8Confident0 Ų031.6 Ų31.60%020%0.195CC..EExtended strand (participates in β ladder)trans-105.3124.7-178.2-47.1-70.7000109.5H152 I154 V156 L219 L220 T221 L241 V243 T256 V260F138-H152 HydrophobicContact CB-CB 3.95Å; F138-H152 WeakPolarHBondContact O-CB 3.11Å; F138-H152 PolarHBondContact O-N 3.39Å; F138-I154 VanDerWaalsContact CD2-O 3.28Å; F138-I154 WeakPolarHBondContact CD2-O 3.49Å; F138-V156 HydrophobicContact CE2-CG2 4.31Å; F138-V156 HydrophobicContact CZ-CG2 3.97Å; F138-L219 HydrophobicContact CB-CD1 4.45Å; F138-L220 WeakPolarHBondContact CA-O 3.25Å; F138-T221 HydrophobicContact CD1-CG2 4.08Å; F138-T221 HydrophobicContact CE1-CG2 4.01Å; F138-L241 HydrophobicContact CD1-CD1 3.37Å; F138-L241 HydrophobicContact CE1-CD1 3.61Å; F138-L241 HydrophobicContact CG-CD1 4.16Å; F138-V243 HydrophobicContact CE1-CG2 3.88Å; F138-V243 HydrophobicContact CZ-CG2 3.94Å; F138-T256 HydrophobicContact CE2-CG2 4.11Å; F138-T256 HydrophobicContact CZ-CG2 4.21Å; F138-V260 HydrophobicContact CB-CG1 3.92Å; F138-V260 HydrophobicContact CD2-CG1 4.46Å; F138-V260 HydrophobicContact CD2-CG2 3.71Å; F138-V260 HydrophobicContact CE2-CG2 4.05Å; F138-V260 HydrophobicContact CG-CG1 4.17Å; F138-V260 HydrophobicContact CG-CG2 4.18Å
139V96.5Very high83.2Confident0 Ų025.9 Ų25.90%016%0.155CC..EExtended strand (participates in β ladder)trans-122.2117.5-170.4-178.10000109.5V137 V141 F150 V194 L198 L220 F222 L323V137-V139 HydrophobicContact CG2-CG2 4.23Å; V139-V141 HydrophobicContact CG1-CG2 4.22Å; V139-F150 CarbonylContact C-O 3.58Å; V139-F150 WeakPolarHBondContact CA-O 3.35Å; V139-V194 HydrophobicContact CG1-CG1 4.26Å; V139-V194 HydrophobicContact CG2-CG1 3.84Å; V139-L198 HydrophobicContact CG1-CD1 4.07Å; V139-L220 PolarHBondContact N-O 2.99Å; V139-L220 PolarHBondContact O-N 3.37Å; V139-F222 HydrophobicContact CB-CD2 4.11Å; V139-F222 HydrophobicContact CB-CE2 4.17Å; V139-F222 HydrophobicContact CG2-CD2 3.68Å; V139-F222 HydrophobicContact CG2-CE2 4.11Å; V139-F222 HydrophobicContact CG2-CG 4.46Å; V139-L323 HydrophobicContact CG1-CD1 3.86Å; V139-L323 HydrophobicContact CG2-CD1 4.34Å
140L95.4Very high85.5Confident0 Ų021.2 Ų21.20%013%0.125CC..EExtended strand (participates in β ladder)trans-92.8114174.7-179.168.1000109.3T142 S149 F150 F217 L219 L267 L268 F320L140-T142 HydrophobicContact CD2-CG2 4.25Å; L140-T142 HydrophobicContact CG-CG2 4.12Å; L140-S149 CarbonylContact O-C 3.52Å; L140-S149 VanDerWaalsContact O-CA 3.32Å; L140-S149 WeakPolarHBondContact O-CA 3.35Å; L140-F150 PolarHBondContact N-O 3.42Å; L140-F150 PolarHBondContact O-N 2.88Å; L140-F217 HydrophobicContact CD1-CB 4.42Å; L140-F217 HydrophobicContact CD1-CD2 3.85Å; L140-L219 HydrophobicContact CB-CD1 4.18Å; L140-L219 HydrophobicContact CD1-CB 4.49Å; L140-L219 HydrophobicContact CD1-CD1 4.44Å; L140-L267 HydrophobicContact CD2-CD2 3.88Å; L140-L268 HydrophobicContact CD1-CD1 4.18Å; L140-L268 HydrophobicContact CD2-CD1 4.21Å; L140-L268 HydrophobicContact CD2-CD2 4.22Å; L140-L268 HydrophobicContact CD2-CG 4.16Å; L140-F320 HydrophobicContact CB-CD1 4.09Å; L140-F320 HydrophobicContact CB-CE1 3.55Å; L140-F320 HydrophobicContact CB-CZ 4.03Å; L140-F320 HydrophobicContact CD2-CE1 4.45Å; L140-F320 HydrophobicContact CD2-CZ 4.34Å
141V94Very high87.8Confident0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-99129.4172.9-171.40000108.6L76 L79 V139 S143 L147 L198 F217 Q218 L220L76-V141 HydrophobicContact CD1-CB 3.97Å; L76-V141 HydrophobicContact CD1-CG1 3.8Å; L79-V141 HydrophobicContact CD1-CB 3.85Å; L79-V141 HydrophobicContact CD1-CG1 3.81Å; L79-V141 HydrophobicContact CD1-CG2 3.96Å; V139-V141 HydrophobicContact CG1-CG2 4.22Å; V141-S143 WeakPolarHBondContact CG1-O 3.22Å; V141-L147 HydrophobicContact CG1-CD1 4.07Å; V141-L198 HydrophobicContact CG2-CD1 4.23Å; V141-L198 HydrophobicContact CG2-CD2 4.01Å; V141-F217 CarbonylContact O-C 3.53Å; V141-F217 WeakPolarHBondContact O-CA 3.49Å; V141-F217 WeakPolarHBondContact O-CB 3.38Å; V141-Q218 PolarHBondContact N-O 3.4Å; V141-Q218 PolarHBondContact O-N 3.46Å; V141-L220 HydrophobicContact CG2-CD1 3.87Å
142T89.9Confident89.7Confident11 Ų1113.1 Ų13.17%0.0677%0.074CC..EExtended strand (participates in β ladder)trans-114.8-10.4-176.4590000112.9L140 T148 F150 C216 L268L140-T142 HydrophobicContact CD2-CG2 4.25Å; L140-T142 HydrophobicContact CG-CG2 4.12Å; T142-T148 PolarHBondContact N-O 3.17Å; T142-T148 WeakPolarHBondContact OG1-CB 3.47Å; T142-T148 WeakPolarHBondContact OG1-CG2 3.47Å; T142-T148 PolarHBondContact OG1-O 3.01Å; T142-F150 HydrophobicContact CG2-CD2 4.15Å; T142-F150 HydrophobicContact CG2-CE2 3.92Å; T142-C216 CarbonylContact C-O 3.6Å; T142-L268 HydrophobicContact CG2-CD2 3.79Å
143S87.4Confident90.9Very high12 Ų1211.8 Ų11.88%0.0847%0.065CC..EExtended strand (participates in β ladder)trans-165.5148.6170.4-179.40000109.9V141 N145 P146 L147 T148 F306V141-S143 WeakPolarHBondContact CG1-O 3.22Å; S143-N145 PolarHBondContact OG-N 2.95Å; S143-N145 PolarHBondContact OG-O 2.9Å; S143-P146 WeakPolarHBondContact CB-O 3.39Å; S143-P146 PolarHBondContact OG-O 2.89Å; S143-L147 CarbonylContact O-C 3.54Å; S143-L147 VanDerWaalsContact O-CA 3.32Å; S143-L147 WeakPolarHBondContact O-CA 3.35Å; S143-T148 PolarHBondContact N-O 3.16Å; S143-T148 PolarHBondContact O-N 3.47Å; S143-F306 VanDerWaalsContact CB-CE2 3.47Å
144V85.6Confident91.4Very high19 Ų1912.9 Ų12.912%0.1157%0.071CC..EExtended strand (participates in β ladder)trans-99.8-19.8171.8-65.90000112.4L76 E78 L79 L147L76-V144 HydrophobicContact CD1-CG1 4.29Å; E78-V144 HydrophobicContact CB-CG1 4.48Å; E78-V144 HydrophobicContact CB-CG2 4.3Å; E78-V144 HydrophobicContact CG-CG2 4.09Å; L79-V144 HydrophobicContact CD1-CG1 4.04Å; L79-V144 HydrophobicContact CD2-CG1 3.81Å; L79-V144 HydrophobicContact CG-CG1 3.75Å; V144-L147 PolarHBondContact O-N 3.12Å
145N79.4Confident91.6Very high127 Ų12712.1 Ų12.168%0.6797%0.067SC*.THydrogen-bonded Turntrans-141.6102.2-179.8-172.39000112S143S143-N145 PolarHBondContact OG-N 2.95Å; S143-N145 PolarHBondContact OG-O 2.9Å
146P83.3Confident91.6Very high13 Ų1312.5 Ų12.58%0.0847%0.069CC..THydrogen-bonded Turncis-70.8146.1-11.730.1-33.7000110.9S143 T148 F306 L338 L339 L342S143-P146 WeakPolarHBondContact CB-O 3.39Å; S143-P146 PolarHBondContact OG-O 2.89Å; P146-T148 PolarHBondContact O-N 3.06Å; P146-T148 PolarHBondContact O-OG1 2.83Å; P146-F306 HydrophobicContact CG-CE1 3.91Å; P146-F306 HydrophobicContact CG-CZ 4.23Å; P146-L338 HydrophobicContact CG-CD2 3.96Å; P146-L338 HydrophobicContact CG-CG 4.12Å; P146-L339 HydrophobicContact CB-CD1 4.31Å; P146-L342 HydrophobicContact CB-CD1 4.18Å; P146-L342 HydrophobicContact CG-CD1 3.35Å
147L88.3Confident91.4Very high11 Ų1112.5 Ų12.56%0.0587%0.07CC..EExtended strand (participates in β ladder)trans-51.8125.7179.9177.565.6000110.7V141 S143 V144 L198 Q199 H324V141-L147 HydrophobicContact CG1-CD1 4.07Å; S143-L147 CarbonylContact O-C 3.54Å; S143-L147 VanDerWaalsContact O-CA 3.32Å; S143-L147 WeakPolarHBondContact O-CA 3.35Å; V144-L147 PolarHBondContact O-N 3.12Å; L147-L198 HydrophobicContact CD1-CB 4.24Å; L147-L198 HydrophobicContact CD2-CB 3.85Å; L147-Q199 HydrophobicContact CD2-CG 3.75Å; L147-H324 PolarHBondContact O-CD2 3.29Å
148T91.1Very high90.9Very high1 Ų115 Ų151%0.0068%0.081CC..EExtended strand (participates in β ladder)trans-136.1116.9175.1-58.10000109.1T142 S143 P146 F150 F306 F310 H324T142-T148 PolarHBondContact N-O 3.17Å; T142-T148 WeakPolarHBondContact OG1-CB 3.47Å; T142-T148 WeakPolarHBondContact OG1-CG2 3.47Å; T142-T148 PolarHBondContact OG1-O 3.01Å; S143-T148 PolarHBondContact N-O 3.16Å; S143-T148 PolarHBondContact O-N 3.47Å; P146-T148 PolarHBondContact O-N 3.06Å; P146-T148 PolarHBondContact O-OG1 2.83Å; T148-F150 HydrophobicContact CG2-CE2 3.94Å; T148-F150 HydrophobicContact CG2-CZ 4.23Å; T148-F306 WeakPolarHBondContact OG1-CZ 3.44Å; T148-F310 HydrophobicContact CG2-CD2 3.64Å; T148-F310 HydrophobicContact CG2-CE2 3.7Å; T148-H324 WeakPolarHBondContact CA-O 3.38Å
149S94.1Very high90.1Very high0 Ų016.8 Ų16.80%010%0.096CC..EExtended strand (participates in β ladder)trans-144.2151.5-171600000113L140 L323 H324L140-S149 CarbonylContact O-C 3.52Å; L140-S149 VanDerWaalsContact O-CA 3.32Å; L140-S149 WeakPolarHBondContact O-CA 3.35Å; S149-L323 WeakPolarHBondContact O-CB 2.89Å; S149-L323 PolarHBondContact O-N 2.81Å; S149-H324 PolarHBondContact N-O 3.43Å; S149-H324 PolarHBondContact O-N 2.75Å
150F94.8Very high89Confident4 Ų419.2 Ų19.22%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-134.9145.5-177.3-53.7-99.1000110.9V139 L140 T142 T148 L267 F310 Q313 L314 F320 H321 L322V139-F150 CarbonylContact C-O 3.58Å; V139-F150 WeakPolarHBondContact CA-O 3.35Å; L140-F150 PolarHBondContact N-O 3.42Å; L140-F150 PolarHBondContact O-N 2.88Å; T142-F150 HydrophobicContact CG2-CD2 4.15Å; T142-F150 HydrophobicContact CG2-CE2 3.92Å; T148-F150 HydrophobicContact CG2-CE2 3.94Å; T148-F150 HydrophobicContact CG2-CZ 4.23Å; F150-L267 HydrophobicContact CD1-CD2 4.46Å; F150-L267 HydrophobicContact CD2-CD2 4.5Å; F150-L267 HydrophobicContact CG-CD2 4.34Å; F150-F310 HydrophobicContact CZ-CD2 4.43Å; F150-F310 HydrophobicContact CZ-CE2 4.34Å; F150-Q313 HydrophobicContact CZ-CB 4.18Å; F150-L314 HydrophobicContact CE1-CD2 4.13Å; F150-F320 HydrophobicContact CB-CB 3.92Å; F150-F320 HydrophobicContact CB-CD1 3.82Å; F150-F320 HydrophobicContact CB-CG 4.22Å; F150-H321 CarbonylContact C-O 3.21Å; F150-H321 VanDerWaalsContact CA-O 3.25Å; F150-H321 WeakPolarHBondContact CA-O 3.47Å; F150-L322 HydrophobicContact CD1-CB 4.35Å; F150-L322 HydrophobicContact CD1-CD1 4.12Å; F150-L322 HydrophobicContact CE1-CB 4.43Å; F150-L322 HydrophobicContact CE1-CD1 3.75Å; F150-L322 HydrophobicContact CZ-CD1 4.18Å
151L95.2Very high87.7Confident0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-109.7127.3177.7-177.6140.2000110.2V137 I170 W187 V190 F320 H321 L323V137-L151 HydrophobicContact CB-CD1 4.08Å; V137-L151 HydrophobicContact CG2-CD1 4.17Å; L151-I170 HydrophobicContact CD1-CD1 4.38Å; L151-I170 HydrophobicContact CD2-CD1 3.85Å; L151-I170 HydrophobicContact CD2-CG2 4.14Å; L151-W187 HydrophobicContact CD2-CH2 3.84Å; L151-W187 HydrophobicContact CD2-CZ3 3.81Å; L151-V190 HydrophobicContact CD1-CG1 4.16Å; L151-F320 CarbonylContact O-C 3.56Å; L151-F320 WeakPolarHBondContact O-CA 3.31Å; L151-H321 PolarHBondContact N-O 3.32Å; L151-H321 PolarHBondContact O-N 3.42Å; L151-L323 HydrophobicContact CB-CD1 3.78Å; L151-L323 HydrophobicContact CB-CD2 3.58Å; L151-L323 HydrophobicContact CB-CG 3.56Å; L151-L323 HydrophobicContact CD1-CD1 4.41Å; L151-L323 HydrophobicContact CD1-CD2 4.11Å; L151-L323 HydrophobicContact CG-CD2 4.46Å
152H95.6Very high86.3Confident0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-69.3139.3176.9-165.1-87.2000111.3F138 I154 D263 F320F138-H152 HydrophobicContact CB-CB 3.95Å; F138-H152 WeakPolarHBondContact O-CB 3.11Å; F138-H152 PolarHBondContact O-N 3.39Å; H152-I154 VanDerWaalsContact C-N 3.34Å; H152-I154 WeakPolarHBondContact ND1-CB 3.42Å; H152-I154 PolarHBondContact ND1-N 3.48Å; H152-I154 PolarHBondContact ND1-O 2.92Å; H152-I154 PolarHBondContact O-N 3.22Å; H152-D263 IonicContact CE1-OD2 3.78Å; H152-D263 IonicContact NE2-OD2 3.89Å; H152-D263 PolarHBondContact NE2-OD2 2.79Å; H152-F320 HydrophobicContact CB-CD1 4.03Å; H152-F320 HydrophobicContact CB-CE1 3.67Å; H152-F320 HydrophobicContact CB-CZ 4.12Å; H152-F320 AromaticContact CD2-CE1 3.91Å; H152-F320 AromaticContact CD2-CE2 3.56Å; H152-F320 AromaticContact CD2-CZ 3.5Å; H152-F320 VanDerWaalsContact CD2-CZ 3.5Å; H152-F320 WeakPolarHBondContact CD2-CZ 3.41Å
153D93Very high85.5Confident19 Ų1932.8 Ų32.810%0.10218%0.182CC..EExtended strand (participates in β ladder)trans-66.8-34.9-176.7-170.656.7000112.6Q169 I170 A319 H321D153-Q169 CarbonylContact O-C 3.21Å; D153-Q169 VanDerWaalsContact O-CA 3.31Å; D153-Q169 WeakPolarHBondContact O-CA 3.38Å; D153-Q169 WeakPolarHBondContact OD2-CG 3.41Å; D153-Q169 PolarHBondContact OD2-NE2 3.47Å; D153-I170 PolarHBondContact O-N 2.96Å; D153-A319 VanDerWaalsContact CB-O 3.23Å; D153-A319 WeakPolarHBondContact CB-O 3.46Å; D153-A319 PolarHBondContact N-O 3.31Å; D153-H321 IonicContact OD1-CD2 3.76Å; D153-H321 IonicContact OD1-CE1 2.73Å; D153-H321 IonicContact OD1-NE2 3.67Å; D153-H321 PolarHBondContact OD1-NE2 3.33Å
154I92.1Very high84.5Confident23 Ų2335.1 Ų35.112%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-75.8133.8174.7-57.9178.5000110.6F138 H152 Q167 T168 T256 R259F138-I154 VanDerWaalsContact CD2-O 3.28Å; F138-I154 WeakPolarHBondContact CD2-O 3.49Å; H152-I154 VanDerWaalsContact C-N 3.34Å; H152-I154 WeakPolarHBondContact ND1-CB 3.42Å; H152-I154 PolarHBondContact ND1-N 3.48Å; H152-I154 PolarHBondContact ND1-O 2.92Å; H152-I154 PolarHBondContact O-N 3.22Å; I154-Q167 HydrophobicContact CG2-CG 3.48Å; I154-Q167 VanDerWaalsContact CG2-CG 3.48Å; I154-T168 WeakPolarHBondContact CA-O 3.28Å; I154-T256 HydrophobicContact CG2-CG2 4.23Å; I154-R259 HydrophobicContact CD1-CB 4.49Å
155I92.1Very high84Confident0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-127.8162.517458.8165.4000110.8V135 N136 V137 V157 Q167 T168 I170 F173V135-I155 HydrophobicContact CG1-CB 4Å; V135-I155 HydrophobicContact CG1-CD1 3.61Å; V135-I155 HydrophobicContact CG1-CG1 4.34Å; V135-I155 HydrophobicContact CG1-CG2 4.41Å; N136-I155 WeakPolarHBondContact O-CA 3.38Å; N136-I155 WeakPolarHBondContact O-CB 3.43Å; V137-I155 HydrophobicContact CB-CG2 4.34Å; V137-I155 HydrophobicContact CG1-CG2 3.79Å; I155-V157 HydrophobicContact CD1-CG2 3.75Å; I155-V157 HydrophobicContact CG1-CG2 4.24Å; I155-Q167 WeakPolarHBondContact O-CA 3.47Å; I155-T168 HydrophobicContact CD1-CG2 3.93Å; I155-T168 HydrophobicContact CG1-CG2 3.75Å; I155-T168 WeakPolarHBondContact CG1-O 3.44Å; I155-T168 PolarHBondContact N-O 3.09Å; I155-T168 PolarHBondContact O-N 2.97Å; I155-T168 VanDerWaalsContact O-N 3.1Å; I155-I170 HydrophobicContact CD1-CB 4.27Å; I155-I170 HydrophobicContact CD1-CG1 4.35Å; I155-I170 HydrophobicContact CG1-CB 4.44Å; I155-I170 HydrophobicContact CG2-CB 3.82Å; I155-I170 HydrophobicContact CG2-CD1 4.05Å; I155-I170 HydrophobicContact CG2-CG1 4.22Å; I155-F173 HydrophobicContact CD1-CB 3.67Å; I155-F173 HydrophobicContact CD1-CD1 3.77Å; I155-F173 HydrophobicContact CD1-CD2 4.45Å; I155-F173 HydrophobicContact CD1-CG 3.71Å
156V90.8Very high84.2Confident8 Ų834.3 Ų34.35%0.04819%0.188CC..EExtended strand (participates in β ladder)trans-117.7119.1172.3179.70000109.4V135 N136 F138 V243 P244 T256V135-V156 WeakPolarHBondContact CA-O 3.47Å; N136-V156 HydrophobicContact CB-CB 4.27Å; N136-V156 PolarHBondContact N-O 2.87Å; N136-V156 PolarHBondContact O-N 3Å; F138-V156 HydrophobicContact CE2-CG2 4.31Å; F138-V156 HydrophobicContact CZ-CG2 3.97Å; V156-V243 HydrophobicContact CG2-CG1 4.38Å; V156-P244 HydrophobicContact CG1-CG 4.4Å; V156-T256 HydrophobicContact CG2-CG2 4.04Å
157V88.7Confident84.3Confident15 Ų1535.8 Ų35.89%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-105.6130.4-175.8-177.30000109.8A133 M134 V135 I155 G165 Q166 T168 F173A133-V157 HydrophobicContact CB-CG1 4.24Å; M134-V157 CarbonylContact O-C 3.24Å; M134-V157 WeakPolarHBondContact O-CA 3.34Å; V135-V157 HydrophobicContact CG1-CG2 4.41Å; V135-V157 HydrophobicContact CG2-CG1 4.38Å; V135-V157 HydrophobicContact CG2-CG2 4.26Å; I155-V157 HydrophobicContact CD1-CG2 3.75Å; I155-V157 HydrophobicContact CG1-CG2 4.24Å; V157-G165 CarbonylContact O-C 3.26Å; V157-G165 VanDerWaalsContact O-CA 3.24Å; V157-G165 WeakPolarHBondContact O-CA 3.19Å; V157-Q166 PolarHBondContact N-O 2.88Å; V157-Q166 PolarHBondContact O-N 2.9Å; V157-T168 HydrophobicContact CG2-CG2 3.85Å; V157-F173 HydrophobicContact CB-CE2 4.34Å; V157-F173 HydrophobicContact CG1-CD2 4.25Å; V157-F173 HydrophobicContact CG1-CE2 3.63Å; V157-F173 HydrophobicContact CG1-CZ 4.36Å; V157-F173 HydrophobicContact CG2-CD2 3.61Å; V157-F173 HydrophobicContact CG2-CE2 3.71Å; V157-F173 HydrophobicContact CG2-CG 4.19Å; V157-F173 HydrophobicContact CG2-CZ 4.39Å
158K85.8Confident84.3Confident51 Ų5136.7 Ų36.722%0.22220%0.2CC..EExtended strand (participates in β ladder)trans-117.9125.6171.3-67.9-171.7171.8-156.10110.5F118 M134 D163F118-K158 HydrophobicContact CZ-CB 4.32Å; M134-K158 HydrophobicContact CB-CB 4.24Å; M134-K158 PolarHBondContact N-O 3.25Å; M134-K158 PolarHBondContact O-N 3.33Å; K158-D163 HydrophobicContact CB-CB 4.49Å
159A79.2Confident84.3Confident38 Ų3840 Ų4031%0.31422%0.216SC..SBendtrans-92.3-20.1175.600000113.2F118 D163F118-A159 WeakPolarHBondContact CD1-O 3.45Å; F118-A159 VanDerWaalsContact CE1-C 3.49Å; F118-A159 WeakPolarHBondContact CE1-O 3.32Å; A159-D163 WeakPolarHBondContact CB-OD2 3.48Å; A159-D163 PolarHBondContact N-OD2 3.16Å
160S73.3Confident84.2Confident52 Ų5240.2 Ų40.236%0.36422%0.216SC..SBendtrans-147.7169.9176.174.90000111.8F118 N162 D163F118-S160 WeakPolarHBondContact CZ-O 3.46Å; S160-N162 VanDerWaalsContact C-N 3.27Å; S160-N162 PolarHBondContact O-N 3.02Å; S160-D163 VanDerWaalsContact O-CB 3.24Å; S160-D163 WeakPolarHBondContact O-CB 3.23Å; S160-D163 PolarHBondContact O-N 3.15Å; S160-D163 VanDerWaalsContact O-N 3.12Å; S160-D163 PolarHBondContact OG-N 2.85Å
161E67.3Low84Confident101 Ų10146.7 Ų46.747%0.47224%0.241SC..THydrogen-bonded Turntrans-63.4-35.8-178.8-124.2160.6-12700112.1F118F118-E161 HydrophobicContact CD2-CB 3.63Å; F118-E161 HydrophobicContact CD2-CG 3.61Å; F118-E161 HydrophobicContact CE2-CB 3.91Å; F118-E161 HydrophobicContact CE2-CG 3.8Å
162N66.3Low83.7Confident155 Ų15549 Ų4983%0.82926%0.255SS*.THydrogen-bonded Turntrans-90.11.7177.8-64.6-22.8000113.2S160S160-N162 VanDerWaalsContact C-N 3.27Å; S160-N162 PolarHBondContact O-N 3.02Å
163D71.8Confident83.5Confident39 Ų3949.4 Ų49.421%0.20926%0.257CS..  trans-72.6122.8176.8-173.8-12.2000109.5K158 A159 S160 G165K158-D163 HydrophobicContact CB-CB 4.49Å; A159-D163 WeakPolarHBondContact CB-OD2 3.48Å; A159-D163 PolarHBondContact N-OD2 3.16Å; S160-D163 VanDerWaalsContact O-CB 3.24Å; S160-D163 WeakPolarHBondContact O-CB 3.23Å; S160-D163 PolarHBondContact O-N 3.15Å; S160-D163 VanDerWaalsContact O-N 3.12Å; S160-D163 PolarHBondContact OG-N 2.85Å; D163-G165 PolarHBondContact O-N 2.78Å; D163-G165 VanDerWaalsContact O-N 3.11Å; D163-G165 PolarHBondContact OD1-N 3.21Å
164P66.1Low83.3Confident62 Ų6248.7 Ų48.740%0.40325%0.253SS..  trans-60.9-19.7177.925-34.9000112.9D249P164-D249 HydrophobicContact CB-CB 3.93Å; P164-D249 WeakPolarHBondContact CB-OD2 3.39Å; P164-D249 WeakPolarHBondContact CG-OD2 3.5Å
165G77.1Confident83.2Confident3 Ų351.8 Ų51.83%0.03127%0.269CS..  trans95.9127.2179.300000111.8V157 D163V157-G165 CarbonylContact O-C 3.26Å; V157-G165 VanDerWaalsContact O-CA 3.24Å; V157-G165 WeakPolarHBondContact O-CA 3.19Å; D163-G165 PolarHBondContact O-N 2.78Å; D163-G165 VanDerWaalsContact O-N 3.11Å; D163-G165 PolarHBondContact OD1-N 3.21Å
166Q82.4Confident82.9Confident125 Ų12558.7 Ų58.758%0.58430%0.301SS*.EExtended strand (participates in β ladder)trans-96.8125.9178.1-170.3172.410.700110.9V157V157-Q166 PolarHBondContact N-O 2.88Å; V157-Q166 PolarHBondContact O-N 2.9Å
167Q86.2Confident82.6Confident44 Ų4462.3 Ų62.321%0.20631%0.314CS..EExtended strand (participates in β ladder)trans-75.6130.3170.6-175-176.911.200109.7I154 I155 T256I154-Q167 HydrophobicContact CG2-CG 3.48Å; I154-Q167 VanDerWaalsContact CG2-CG 3.48Å; I155-Q167 WeakPolarHBondContact O-CA 3.47Å; Q167-T256 PolarHBondContact OE1-OG1 3.31Å
168T88.6Confident82.5Confident31 Ų3163.5 Ų63.519%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-154.6170.9174.7-1720000110.6I154 I155 V157 F173I154-T168 WeakPolarHBondContact CA-O 3.28Å; I155-T168 HydrophobicContact CD1-CG2 3.93Å; I155-T168 HydrophobicContact CG1-CG2 3.75Å; I155-T168 WeakPolarHBondContact CG1-O 3.44Å; I155-T168 PolarHBondContact N-O 3.09Å; I155-T168 PolarHBondContact O-N 2.97Å; I155-T168 VanDerWaalsContact O-N 3.1Å; V157-T168 HydrophobicContact CG2-CG2 3.85Å; T168-F173 HydrophobicContact CG2-CB 3.81Å
169Q90.6Very high82.5Confident71 Ų7162.2 Ų62.233%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-83.8141.4170.7-66.6-179.7-29.100110.2D153 R171 T172 F173D153-Q169 CarbonylContact O-C 3.21Å; D153-Q169 VanDerWaalsContact O-CA 3.31Å; D153-Q169 WeakPolarHBondContact O-CA 3.38Å; D153-Q169 WeakPolarHBondContact OD2-CG 3.41Å; D153-Q169 PolarHBondContact OD2-NE2 3.47Å; Q169-R171 VanDerWaalsContact C-N 3.32Å; Q169-R171 PolarHBondContact O-N 3.26Å; Q169-T172 PolarHBondContact O-N 2.96Å; Q169-F173 PolarHBondContact O-N 3.42Å
170I91.2Very high82.8Confident3 Ų366 Ų662%0.01534%0.341CS..Hα-helixtrans-60-41.4-176.5-170.2156.9000112.1V137 L151 D153 I155 F173 L174 W187 V190V137-I170 HydrophobicContact CG1-CD1 4.18Å; L151-I170 HydrophobicContact CD1-CD1 4.38Å; L151-I170 HydrophobicContact CD2-CD1 3.85Å; L151-I170 HydrophobicContact CD2-CG2 4.14Å; D153-I170 PolarHBondContact O-N 2.96Å; I155-I170 HydrophobicContact CD1-CB 4.27Å; I155-I170 HydrophobicContact CD1-CG1 4.35Å; I155-I170 HydrophobicContact CG1-CB 4.44Å; I155-I170 HydrophobicContact CG2-CB 3.82Å; I155-I170 HydrophobicContact CG2-CD1 4.05Å; I155-I170 HydrophobicContact CG2-CG1 4.22Å; I170-F173 PolarHBondContact O-N 2.89Å; I170-L174 HydrophobicContact CG1-CD1 4.03Å; I170-L174 HydrophobicContact CG1-CG 4.25Å; I170-L174 WeakPolarHBondContact O-CB 3.44Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.43Å; I170-W187 HydrophobicContact CD1-CE3 4.23Å; I170-W187 HydrophobicContact CD1-CZ3 3.86Å; I170-W187 HydrophobicContact CG1-CE3 4.31Å; I170-W187 HydrophobicContact CG1-CZ3 4.14Å; I170-W187 HydrophobicContact CG2-CE3 4.32Å; I170-W187 HydrophobicContact CG2-CZ3 3.65Å; I170-V190 HydrophobicContact CD1-CG1 4.12Å
171R90.1Very high83.3Confident141 Ų14168 Ų6853%0.53236%0.361SS..Hα-helixtrans-62.9-46.3177.7-64.8-177.8-178.4-174.51.7111.5Q169 F173 L174 L175 H321Q169-R171 VanDerWaalsContact C-N 3.32Å; Q169-R171 PolarHBondContact O-N 3.26Å; R171-F173 PolarHBondContact O-N 3.01Å; R171-L174 PolarHBondContact O-N 2.56Å; R171-L175 WeakPolarHBondContact O-CB 3.11Å; R171-L175 VanDerWaalsContact O-CG 3.26Å; R171-L175 WeakPolarHBondContact O-CG 3.45Å; R171-L175 PolarHBondContact O-N 3.05Å; R171-H321 PolarHBondContact NH2-CE1 3.48Å; R171-H321 PolarHBondContact NH2-ND1 3.49Å; R171-H321 VanDerWaalsContact NH2-ND1 3.11Å
172T89.9Confident84.2Confident48 Ų4865.5 Ų65.529%0.29435%0.354SS..Hα-helixtrans-61.3-44.8177.6-58.30000111.4Q169 L175 Q176Q169-T172 PolarHBondContact O-N 2.96Å; T172-L175 PolarHBondContact O-N 2.76Å; T172-Q176 HydrophobicContact CG2-CG 4.4Å; T172-Q176 WeakPolarHBondContact O-CB 3.43Å; T172-Q176 VanDerWaalsContact O-CG 3.22Å; T172-Q176 WeakPolarHBondContact O-CG 3.39Å; T172-Q176 PolarHBondContact O-N 3.45Å
173F90.4Very high85.3Confident9 Ų958.5 Ų58.54%0.03932%0.318CS..Hα-helixtrans-59.4-51.6174.2169.7-102.4000112A133 V135 I155 V157 T168 Q169 I170 R171 L175 Q176 R177 F226A133-F173 HydrophobicContact CB-CZ 4.34Å; V135-F173 HydrophobicContact CG2-CE1 3.79Å; V135-F173 HydrophobicContact CG2-CE2 4.31Å; V135-F173 HydrophobicContact CG2-CZ 3.55Å; I155-F173 HydrophobicContact CD1-CB 3.67Å; I155-F173 HydrophobicContact CD1-CD1 3.77Å; I155-F173 HydrophobicContact CD1-CD2 4.45Å; I155-F173 HydrophobicContact CD1-CG 3.71Å; V157-F173 HydrophobicContact CB-CE2 4.34Å; V157-F173 HydrophobicContact CG1-CD2 4.25Å; V157-F173 HydrophobicContact CG1-CE2 3.63Å; V157-F173 HydrophobicContact CG1-CZ 4.36Å; V157-F173 HydrophobicContact CG2-CD2 3.61Å; V157-F173 HydrophobicContact CG2-CE2 3.71Å; V157-F173 HydrophobicContact CG2-CG 4.19Å; V157-F173 HydrophobicContact CG2-CZ 4.39Å; T168-F173 HydrophobicContact CG2-CB 3.81Å; Q169-F173 PolarHBondContact O-N 3.42Å; I170-F173 PolarHBondContact O-N 2.89Å; R171-F173 PolarHBondContact O-N 3.01Å; F173-L175 VanDerWaalsContact C-N 3.28Å; F173-L175 PolarHBondContact O-N 3.48Å; F173-Q176 PolarHBondContact O-N 3.28Å; F173-R177 HydrophobicContact CD2-CG 3.62Å; F173-R177 HydrophobicContact CE1-CG 4.28Å; F173-R177 HydrophobicContact CE2-CG 3.36Å; F173-R177 HydrophobicContact CG-CG 4.21Å; F173-R177 HydrophobicContact CZ-CG 3.72Å; F173-R177 VanDerWaalsContact O-CB 3.31Å; F173-R177 WeakPolarHBondContact O-CB 3.22Å; F173-R177 VanDerWaalsContact O-CG 3.22Å; F173-R177 WeakPolarHBondContact O-CG 3.43Å; F173-R177 PolarHBondContact O-N 2.97Å; F173-F226 HydrophobicContact CE1-CD2 4.31Å; F173-F226 HydrophobicContact CE1-CE2 4.03Å; F173-F226 HydrophobicContact CE1-CZ 4.41Å; F173-F226 HydrophobicContact CZ-CD2 4.44Å
174L90.4Very high86Confident4 Ų466.1 Ų66.12%0.02134%0.344CS..Hα-helixtrans-61.4-38.7-178.8-67.1176.8000111.7I170 R171 F178 A183 A186 W187 F226I170-L174 HydrophobicContact CG1-CD1 4.03Å; I170-L174 HydrophobicContact CG1-CG 4.25Å; I170-L174 WeakPolarHBondContact O-CB 3.44Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.43Å; R171-L174 PolarHBondContact O-N 2.56Å; L174-F178 HydrophobicContact CD2-CD2 4Å; L174-F178 HydrophobicContact CD2-CE2 3.86Å; L174-F178 WeakPolarHBondContact O-CB 3.4Å; L174-F178 PolarHBondContact O-N 3.45Å; L174-A183 HydrophobicContact CB-CB 4.23Å; L174-A186 HydrophobicContact CD2-CB 3.89Å; L174-W187 HydrophobicContact CD1-CB 3.8Å; L174-W187 HydrophobicContact CD1-CE3 4.1Å; L174-F226 HydrophobicContact CD2-CE1 4.43Å; L174-F226 HydrophobicContact CD2-CZ 4.23Å
175L89Confident87.1Confident88 Ų8867 Ų6746%0.46135%0.345SS..Hα-helixtrans-64.4-47.9174-74.1168.7000112.3R171 T172 F173 R177 G179 P180 A183R171-L175 WeakPolarHBondContact O-CB 3.11Å; R171-L175 VanDerWaalsContact O-CG 3.26Å; R171-L175 WeakPolarHBondContact O-CG 3.45Å; R171-L175 PolarHBondContact O-N 3.05Å; T172-L175 PolarHBondContact O-N 2.76Å; F173-L175 VanDerWaalsContact C-N 3.28Å; F173-L175 PolarHBondContact O-N 3.48Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 3.17Å; L175-G179 WeakPolarHBondContact O-CA 3.32Å; L175-G179 PolarHBondContact O-N 3.3Å; L175-P180 HydrophobicContact CD2-CB 4.37Å; L175-A183 HydrophobicContact CD2-CB 3.62Å; L175-A183 HydrophobicContact CG-CB 4.04Å
176Q86.8Confident87.7Confident144 Ų14466.9 Ų66.967%0.67334%0.343SS*.Hα-helixtrans-64.7-34.8178.9-74.6173.3-900112.3T172 F173T172-Q176 HydrophobicContact CG2-CG 4.4Å; T172-Q176 WeakPolarHBondContact O-CB 3.43Å; T172-Q176 VanDerWaalsContact O-CG 3.22Å; T172-Q176 WeakPolarHBondContact O-CG 3.39Å; T172-Q176 PolarHBondContact O-N 3.45Å; F173-Q176 PolarHBondContact O-N 3.28Å
177R84.3Confident88.1Confident84 Ų8463 Ų6332%0.31732%0.323SS..Hα-helixtrans-86.8-37.6-175.4-66.3-52.1-57.8-110.7-12.7114.3L131 F173 L175L131-R177 PolarHBondContact O-NH2 2.86Å; F173-R177 HydrophobicContact CD2-CG 3.62Å; F173-R177 HydrophobicContact CE1-CG 4.28Å; F173-R177 HydrophobicContact CE2-CG 3.36Å; F173-R177 HydrophobicContact CG-CG 4.21Å; F173-R177 HydrophobicContact CZ-CG 3.72Å; F173-R177 VanDerWaalsContact O-CB 3.31Å; F173-R177 WeakPolarHBondContact O-CB 3.22Å; F173-R177 VanDerWaalsContact O-CG 3.22Å; F173-R177 WeakPolarHBondContact O-CG 3.43Å; F173-R177 PolarHBondContact O-N 2.97Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 3.17Å
178F85.9Confident88.2Confident41 Ų4163.3 Ų63.318%0.1833%0.326CS..Hα-helixtrans-115.7-5.5-173.5-60-70.4000113.8L174 S182 A186 F226 A229 T230L174-F178 HydrophobicContact CD2-CD2 4Å; L174-F178 HydrophobicContact CD2-CE2 3.86Å; L174-F178 WeakPolarHBondContact O-CB 3.4Å; L174-F178 PolarHBondContact O-N 3.45Å; F178-S182 WeakPolarHBondContact O-CB 3.43Å; F178-A186 HydrophobicContact CD2-CB 3.67Å; F178-A186 HydrophobicContact CE2-CB 3.95Å; F178-A186 HydrophobicContact CG-CB 4.26Å; F178-F226 AromaticContact CE2-CD1 3.94Å; F178-F226 HydrophobicContact CE2-CD1 3.94Å; F178-F226 AromaticContact CE2-CE1 3.95Å; F178-F226 HydrophobicContact CE2-CE1 3.95Å; F178-F226 AromaticContact CZ-CD1 3.57Å; F178-F226 HydrophobicContact CZ-CD1 3.57Å; F178-F226 HydrophobicContact CZ-CE1 4.02Å; F178-F226 HydrophobicContact CZ-CG 4.35Å; F178-A229 VanDerWaalsContact CE1-O 3.29Å; F178-A229 WeakPolarHBondContact CE1-O 3.37Å; F178-A229 VanDerWaalsContact CZ-O 3.29Å; F178-A229 WeakPolarHBondContact CZ-O 3.45Å; F178-T230 HydrophobicContact CD1-CG2 4.13Å; F178-T230 HydrophobicContact CE1-CG2 4.48Å; F178-T230 HydrophobicContact CG-CG2 4.43Å
179G85.6Confident88.3Confident24 Ų2463.7 Ų63.725%0.24733%0.326CS..Hα-helixtrans73.7168.7-17400000113.3L175 A181 S182 A183L175-G179 WeakPolarHBondContact O-CA 3.32Å; L175-G179 PolarHBondContact O-N 3.3Å; G179-A181 VanDerWaalsContact C-N 3.33Å; G179-A181 PolarHBondContact O-N 3.03Å; G179-S182 PolarHBondContact O-N 3.38Å; G179-A183 VanDerWaalsContact O-CB 3.25Å; G179-A183 WeakPolarHBondContact O-CB 3.29Å; G179-A183 PolarHBondContact O-N 2.76Å
180P85.1Confident88.4Confident117 Ų11760.4 Ų60.476%0.7631%0.31SS*.Hα-helixtrans-63.3-34.7-173.623.2-32.6000113.8L175L175-P180 HydrophobicContact CD2-CB 4.37Å
181A84.7Confident88.4Confident94 Ų9461.4 Ų61.478%0.77732%0.315SS*.Hα-helixtrans-66.2-40.1-178.900000112.8G179G179-A181 VanDerWaalsContact C-N 3.33Å; G179-A181 PolarHBondContact O-N 3.03Å
182S86.5Confident88.4Confident48 Ų4861.7 Ų61.734%0.33632%0.316SS..Hα-helixtrans-102.6-13.5-172.6-61.20000113.9F178 G179 R184 L185 A186F178-S182 WeakPolarHBondContact O-CB 3.43Å; G179-S182 PolarHBondContact O-N 3.38Å; S182-R184 VanDerWaalsContact C-N 3.3Å; S182-R184 PolarHBondContact O-N 3.03Å; S182-L185 PolarHBondContact O-N 2.86Å; S182-L185 VanDerWaalsContact O-N 3.15Å; S182-A186 PolarHBondContact O-N 3Å
183A87.7Confident88.6Confident9 Ų959.5 Ų59.57%0.07430%0.303CS..Hα-helixtrans-59.3-37.9179.700000113.2L174 L175 G179 A186 W187L174-A183 HydrophobicContact CB-CB 4.23Å; L175-A183 HydrophobicContact CD2-CB 3.62Å; L175-A183 HydrophobicContact CG-CB 4.04Å; G179-A183 VanDerWaalsContact O-CB 3.25Å; G179-A183 WeakPolarHBondContact O-CB 3.29Å; G179-A183 PolarHBondContact O-N 2.76Å; A183-A186 PolarHBondContact O-N 3.22Å; A183-W187 WeakPolarHBondContact O-CB 3.47Å; A183-W187 PolarHBondContact O-N 3.14Å
184R87.3Confident88.8Confident199 Ų19959.1 Ų59.175%0.75130%0.301SS*.Hα-helixtrans-64-42.5176-175.9179178.8-177.90.7111.8S182 W187 I188S182-R184 VanDerWaalsContact C-N 3.3Å; S182-R184 PolarHBondContact O-N 3.03Å; R184-W187 PolarHBondContact O-N 3.4Å; R184-I188 HydrophobicContact CG-CD1 4.4Å; R184-I188 WeakPolarHBondContact O-CG1 3.38Å; R184-I188 PolarHBondContact O-N 2.87Å; R184-I188 VanDerWaalsContact O-N 3.15Å
185L89.1Confident88.8Confident80 Ų8059.7 Ų59.742%0.41931%0.305SS..Hα-helixtrans-65.2-44.8176.5179.263000110.6S182 W187 I188 Q189 T230S182-L185 PolarHBondContact O-N 2.86Å; S182-L185 VanDerWaalsContact O-N 3.15Å; L185-W187 VanDerWaalsContact C-N 3.33Å; L185-W187 PolarHBondContact O-N 2.71Å; L185-I188 PolarHBondContact O-N 3.24Å; L185-Q189 WeakPolarHBondContact O-CG 3.32Å; L185-Q189 PolarHBondContact O-N 2.77Å; L185-T230 HydrophobicContact CD2-CG2 4.39Å
186A89.7Confident88.9Confident0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-60.4-41.8177.600000112.1L174 F178 S182 A183 I188 Q189 V190 T230L174-A186 HydrophobicContact CD2-CB 3.89Å; F178-A186 HydrophobicContact CD2-CB 3.67Å; F178-A186 HydrophobicContact CE2-CB 3.95Å; F178-A186 HydrophobicContact CG-CB 4.26Å; S182-A186 PolarHBondContact O-N 3Å; A183-A186 PolarHBondContact O-N 3.22Å; A186-I188 PolarHBondContact O-N 3.33Å; A186-Q189 PolarHBondContact O-N 2.8Å; A186-V190 VanDerWaalsContact O-CG2 3.28Å; A186-V190 WeakPolarHBondContact O-CG2 3.38Å; A186-V190 PolarHBondContact O-N 2.64Å; A186-T230 HydrophobicContact CB-CG2 4.07Å
187W90.3Very high89.2Confident43 Ų4350 Ų5016%0.16326%0.262CS..Hα-helixtrans-57.1-48.3173.2171.1-104.7000112.1L151 I170 L174 A183 R184 L185 Q189 V190 Q191 H321L151-W187 HydrophobicContact CD2-CH2 3.84Å; L151-W187 HydrophobicContact CD2-CZ3 3.81Å; I170-W187 HydrophobicContact CD1-CE3 4.23Å; I170-W187 HydrophobicContact CD1-CZ3 3.86Å; I170-W187 HydrophobicContact CG1-CE3 4.31Å; I170-W187 HydrophobicContact CG1-CZ3 4.14Å; I170-W187 HydrophobicContact CG2-CE3 4.32Å; I170-W187 HydrophobicContact CG2-CZ3 3.65Å; L174-W187 HydrophobicContact CD1-CB 3.8Å; L174-W187 HydrophobicContact CD1-CE3 4.1Å; A183-W187 WeakPolarHBondContact O-CB 3.47Å; A183-W187 PolarHBondContact O-N 3.14Å; R184-W187 PolarHBondContact O-N 3.4Å; L185-W187 VanDerWaalsContact C-N 3.33Å; L185-W187 PolarHBondContact O-N 2.71Å; W187-Q189 VanDerWaalsContact C-N 3.27Å; W187-Q189 PolarHBondContact O-N 3.03Å; W187-V190 WeakPolarHBondContact O-CB 3.25Å; W187-V190 PolarHBondContact O-N 3.11Å; W187-Q191 HydrophobicContact CD2-CG 4.33Å; W187-Q191 HydrophobicContact CZ2-CG 3.98Å; W187-Q191 WeakPolarHBondContact O-CG 3.3Å; W187-Q191 PolarHBondContact O-N 2.84Å; W187-H321 HydrophobicContact CH2-CB 3.97Å; W187-H321 HydrophobicContact CZ2-CB 4.1Å
188I89Confident89.5Confident51 Ų5146 Ų4626%0.26225%0.247SC..Hα-helixtrans-59.3-40.2177.1-68.1165.9000110.9R184 L185 A186 Q191 R192R184-I188 HydrophobicContact CG-CD1 4.4Å; R184-I188 WeakPolarHBondContact O-CG1 3.38Å; R184-I188 PolarHBondContact O-N 2.87Å; R184-I188 VanDerWaalsContact O-N 3.15Å; L185-I188 PolarHBondContact O-N 3.24Å; A186-I188 PolarHBondContact O-N 3.33Å; I188-Q191 PolarHBondContact O-N 2.8Å; I188-R192 HydrophobicContact CG2-CG 4.45Å; I188-R192 WeakPolarHBondContact O-CB 3.12Å; I188-R192 WeakPolarHBondContact O-CG 3.41Å; I188-R192 PolarHBondContact O-N 2.84Å
189Q91.2Very high89.7Confident40 Ų4048.1 Ų48.119%0.18726%0.258CS..Hα-helixtrans-70.2-35.7178.4-63.4-63.40.900112.9L185 A186 W187 R192 A193 T230L185-Q189 WeakPolarHBondContact O-CG 3.32Å; L185-Q189 PolarHBondContact O-N 2.77Å; A186-Q189 PolarHBondContact O-N 2.8Å; W187-Q189 VanDerWaalsContact C-N 3.27Å; W187-Q189 PolarHBondContact O-N 3.03Å; Q189-R192 PolarHBondContact O-N 3.46Å; Q189-A193 WeakPolarHBondContact O-CB 3.38Å; Q189-A193 PolarHBondContact O-N 3.15Å; Q189-T230 WeakPolarHBondContact CB-O 3.19Å
190V92.6Very high89.8Confident1 Ų148.2 Ų48.21%0.00625%0.253CS..Hα-helixtrans-58.4-49.7170.1175.90000110.3L151 I170 A186 W187 R192 A193 V194 L224 F226 P232L151-V190 HydrophobicContact CD1-CG1 4.16Å; I170-V190 HydrophobicContact CD1-CG1 4.12Å; A186-V190 VanDerWaalsContact O-CG2 3.28Å; A186-V190 WeakPolarHBondContact O-CG2 3.38Å; A186-V190 PolarHBondContact O-N 2.64Å; W187-V190 WeakPolarHBondContact O-CB 3.25Å; W187-V190 PolarHBondContact O-N 3.11Å; V190-R192 VanDerWaalsContact C-N 3.35Å; V190-R192 PolarHBondContact O-N 3.35Å; V190-A193 PolarHBondContact O-N 3.1Å; V190-V194 WeakPolarHBondContact O-CG2 3.34Å; V190-V194 PolarHBondContact O-N 2.97Å; V190-V194 VanDerWaalsContact O-N 3.12Å; V190-L224 HydrophobicContact CG1-CD1 3.75Å; V190-L224 HydrophobicContact CG2-CD1 4.48Å; V190-F226 HydrophobicContact CG2-CE1 4.37Å; V190-F226 HydrophobicContact CG2-CZ 3.77Å; V190-P232 HydrophobicContact CG2-CG 4.2Å
191Q91.6Very high89.9Confident24 Ų2442.7 Ų42.711%0.11222%0.218CC..Hα-helixtrans-59.2-46.6179-65.8-175.5-63.200111W187 I188 A193 V194 V195 L322 L323W187-Q191 HydrophobicContact CD2-CG 4.33Å; W187-Q191 HydrophobicContact CZ2-CG 3.98Å; W187-Q191 WeakPolarHBondContact O-CG 3.3Å; W187-Q191 PolarHBondContact O-N 2.84Å; I188-Q191 PolarHBondContact O-N 2.8Å; Q191-A193 PolarHBondContact O-N 3.33Å; Q191-V194 PolarHBondContact O-N 3.08Å; Q191-V195 VanDerWaalsContact O-CB 3.28Å; Q191-V195 WeakPolarHBondContact O-CB 3.4Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 3.37Å; Q191-L322 PolarHBondContact NE2-O 3.18Å; Q191-L323 HydrophobicContact CB-CD2 4.22Å; Q191-L323 HydrophobicContact CG-CD2 3.74Å
192R90.4Very high89.8Confident147 Ų14739.6 Ų39.656%0.55519%0.19SC*.Hα-helixtrans-60-46.1177.7-76.1175.8179.5169.8-1.8112.5I188 Q189 V190 V194 V195 A196I188-R192 HydrophobicContact CG2-CG 4.45Å; I188-R192 WeakPolarHBondContact O-CB 3.12Å; I188-R192 WeakPolarHBondContact O-CG 3.41Å; I188-R192 PolarHBondContact O-N 2.84Å; Q189-R192 PolarHBondContact O-N 3.46Å; V190-R192 VanDerWaalsContact C-N 3.35Å; V190-R192 PolarHBondContact O-N 3.35Å; R192-V194 PolarHBondContact O-N 3Å; R192-V195 PolarHBondContact O-N 3.39Å; R192-A196 VanDerWaalsContact O-CB 3.23Å; R192-A196 WeakPolarHBondContact O-CB 3.41Å; R192-A196 PolarHBondContact O-N 2.93Å
193A92.4Very high89.2Confident3 Ų342.1 Ų42.13%0.02520%0.203CC..Hα-helixtrans-61.6-46.8-178.100000111.9P103 Q189 V190 Q191 V197 P232 V234P103-A193 HydrophobicContact CB-CB 4.22Å; P103-A193 HydrophobicContact CG-CB 4.13Å; Q189-A193 WeakPolarHBondContact O-CB 3.38Å; Q189-A193 PolarHBondContact O-N 3.15Å; V190-A193 PolarHBondContact O-N 3.1Å; Q191-A193 PolarHBondContact O-N 3.33Å; A193-V197 WeakPolarHBondContact O-CG2 3.13Å; A193-V197 PolarHBondContact O-N 3.27Å; A193-P232 HydrophobicContact CB-CG 4.17Å; A193-V234 HydrophobicContact CB-CG2 4.45Å
194V94.6Very high87.8Confident0 Ų043.9 Ų43.90%021%0.212CC..Hα-helixtrans-68.2-46.8179.3175.50000111.3V137 V139 V190 Q191 R192 V197 L198 F222 L224 L323V137-V194 HydrophobicContact CG2-CG2 4.33Å; V139-V194 HydrophobicContact CG1-CG1 4.26Å; V139-V194 HydrophobicContact CG2-CG1 3.84Å; V190-V194 WeakPolarHBondContact O-CG2 3.34Å; V190-V194 PolarHBondContact O-N 2.97Å; V190-V194 VanDerWaalsContact O-N 3.12Å; Q191-V194 PolarHBondContact O-N 3.08Å; R192-V194 PolarHBondContact O-N 3Å; V194-V197 PolarHBondContact O-N 2.89Å; V194-L198 HydrophobicContact CG1-CD1 3.95Å; V194-L198 HydrophobicContact CG1-CG 4.46Å; V194-L198 WeakPolarHBondContact O-CG 3.15Å; V194-L198 PolarHBondContact O-N 3.19Å; V194-F222 HydrophobicContact CG1-CD1 4.45Å; V194-F222 HydrophobicContact CG1-CD2 4.49Å; V194-F222 HydrophobicContact CG1-CE1 4.28Å; V194-F222 HydrophobicContact CG1-CE2 4.33Å; V194-F222 HydrophobicContact CG1-CZ 4.23Å; V194-F222 HydrophobicContact CG2-CD1 4.34Å; V194-F222 HydrophobicContact CG2-CG 4.48Å; V194-L224 HydrophobicContact CG2-CD2 4.41Å; V194-L323 HydrophobicContact CB-CD1 4.43Å; V194-L323 HydrophobicContact CG1-CD1 3.74Å
195V92.3Very high86.3Confident16 Ų1636.8 Ų36.810%0.09719%0.187CC..Hα-helixtrans-67-39.8-176.2172.50000111.9Q191 R192 V197 L198 Q199 L323 H324Q191-V195 VanDerWaalsContact O-CB 3.28Å; Q191-V195 WeakPolarHBondContact O-CB 3.4Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 3.37Å; R192-V195 PolarHBondContact O-N 3.39Å; V195-V197 VanDerWaalsContact C-N 3.32Å; V195-V197 PolarHBondContact O-N 3.46Å; V195-L198 PolarHBondContact O-N 2.79Å; V195-Q199 HydrophobicContact CG1-CG 4.13Å; V195-Q199 WeakPolarHBondContact O-CB 3.3Å; V195-Q199 VanDerWaalsContact O-CG 3.31Å; V195-Q199 WeakPolarHBondContact O-CG 3.38Å; V195-Q199 PolarHBondContact O-N 2.93Å; V195-L323 HydrophobicContact CG2-CB 4.06Å; V195-H324 HydrophobicContact CG1-CB 4.17Å; V195-H324 HydrophobicContact CG2-CB 4.04Å
196A90.7Very high84.4Confident29 Ų2941.3 Ų41.324%0.2421%0.206CC..Hα-helixtrans-59.4-43.6177.700000111.8P103 R192 Q199 V200P103-A196 HydrophobicContact CG-CB 4.16Å; R192-A196 VanDerWaalsContact O-CB 3.23Å; R192-A196 WeakPolarHBondContact O-CB 3.41Å; R192-A196 PolarHBondContact O-N 2.93Å; A196-Q199 PolarHBondContact O-N 2.67Å; A196-V200 PolarHBondContact O-N 3.34Å
197V91.6Very high82.5Confident0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-65.3-43.7176.4174.30000111.3F83 F93 L102 M104 A193 V194 V195 Q199 V200 A201 F222 V234F83-V197 HydrophobicContact CE1-CG1 3.83Å; F83-V197 HydrophobicContact CZ-CG1 4.11Å; F93-V197 HydrophobicContact CZ-CG1 4.44Å; L102-V197 HydrophobicContact CD2-CG2 4.09Å; M104-V197 HydrophobicContact CB-CG2 3.73Å; M104-V197 HydrophobicContact CE-CG1 4.38Å; M104-V197 HydrophobicContact CG-CG2 4.24Å; M104-V197 HydrophobicContact SD-CB 4.27Å; M104-V197 HydrophobicContact SD-CG1 3.52Å; M104-V197 VanDerWaalsContact SD-CG1 3.52Å; M104-V197 HydrophobicContact SD-CG2 3.67Å; A193-V197 WeakPolarHBondContact O-CG2 3.13Å; A193-V197 PolarHBondContact O-N 3.27Å; V194-V197 PolarHBondContact O-N 2.89Å; V195-V197 VanDerWaalsContact C-N 3.32Å; V195-V197 PolarHBondContact O-N 3.46Å; V197-Q199 PolarHBondContact O-N 2.85Å; V197-V200 PolarHBondContact O-N 2.68Å; V197-A201 WeakPolarHBondContact O-CB 3.31Å; V197-A201 PolarHBondContact O-N 3.14Å; V197-F222 HydrophobicContact CB-CE1 4.19Å; V197-F222 HydrophobicContact CG1-CE1 3.93Å; V197-F222 HydrophobicContact CG1-CZ 4.49Å; V197-V234 HydrophobicContact CG2-CG2 4.15Å
198L92.1Very high80.3Confident0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-64.5-38.4178.3-73.6174.8000113.1F83 V139 V141 L147 V194 V195 A201 S202 L220 F222F83-L198 HydrophobicContact CE2-CD2 4.37Å; F83-L198 HydrophobicContact CZ-CD2 4.31Å; V139-L198 HydrophobicContact CG1-CD1 4.07Å; V141-L198 HydrophobicContact CG2-CD1 4.23Å; V141-L198 HydrophobicContact CG2-CD2 4.01Å; L147-L198 HydrophobicContact CD1-CB 4.24Å; L147-L198 HydrophobicContact CD2-CB 3.85Å; V194-L198 HydrophobicContact CG1-CD1 3.95Å; V194-L198 HydrophobicContact CG1-CG 4.46Å; V194-L198 WeakPolarHBondContact O-CG 3.15Å; V194-L198 PolarHBondContact O-N 3.19Å; V195-L198 PolarHBondContact O-N 2.79Å; L198-A201 PolarHBondContact O-N 3.48Å; L198-S202 WeakPolarHBondContact O-CB 3.19Å; L198-S202 PolarHBondContact O-N 2.85Å; L198-S202 PolarHBondContact O-OG 3.28Å; L198-L220 HydrophobicContact CD2-CD1 3.85Å; L198-F222 HydrophobicContact CD2-CE2 4.3Å; L198-F222 HydrophobicContact CD2-CZ 3.86Å; L198-F222 HydrophobicContact CG-CZ 4.02Å
199Q88.8Confident78.1Confident86 Ų8651.7 Ų51.740%0.40230%0.298SS..Hα-helixtrans-61.7-49.2178-77175-27.700110.9L147 V195 A196 V197 A201 S202 T203L147-Q199 HydrophobicContact CD2-CG 3.75Å; V195-Q199 HydrophobicContact CG1-CG 4.13Å; V195-Q199 WeakPolarHBondContact O-CB 3.3Å; V195-Q199 VanDerWaalsContact O-CG 3.31Å; V195-Q199 WeakPolarHBondContact O-CG 3.38Å; V195-Q199 PolarHBondContact O-N 2.93Å; A196-Q199 PolarHBondContact O-N 2.67Å; V197-Q199 PolarHBondContact O-N 2.85Å; Q199-A201 VanDerWaalsContact C-N 3.35Å; Q199-A201 PolarHBondContact O-N 3.23Å; Q199-S202 PolarHBondContact O-N 2.81Å; Q199-S202 VanDerWaalsContact O-N 3.07Å; Q199-T203 WeakPolarHBondContact O-CG2 3.24Å; Q199-T203 PolarHBondContact O-N 3.1Å; Q199-T203 PolarHBondContact O-OG1 2.94Å
200V87.9Confident76.1Confident26 Ų2651.1 Ų51.116%0.15830%0.303CS..Hα-helixtrans-63-42.1177.4172.60000111.8F93 L97 L102 A196 V197 S202 T203 N204F93-V200 HydrophobicContact CB-CG1 4.35Å; F93-V200 HydrophobicContact CD2-CG1 3.58Å; F93-V200 HydrophobicContact CE2-CG1 4.13Å; F93-V200 HydrophobicContact CG-CG1 4.12Å; L97-V200 HydrophobicContact CD1-CG1 3.93Å; L97-V200 HydrophobicContact CD2-CG1 3.96Å; L97-V200 HydrophobicContact CG-CG1 4.23Å; L102-V200 HydrophobicContact CD1-CG1 4.35Å; L102-V200 HydrophobicContact CD1-CG2 4.35Å; L102-V200 HydrophobicContact CD2-CB 4.4Å; L102-V200 HydrophobicContact CD2-CG2 3.97Å; A196-V200 PolarHBondContact O-N 3.34Å; V197-V200 PolarHBondContact O-N 2.68Å; V200-S202 PolarHBondContact O-N 3.24Å; V200-T203 PolarHBondContact O-N 2.05Å; V200-T203 PolarHBondContact O-OG1 3.13Å; V200-N204 PolarHBondContact O-N 3.46Å
201A87.4Confident74.3Confident1 Ų153.3 Ų53.31%0.00833%0.325CS..Hα-helixtrans-62.2-26.6175.400000112.7L79 A82 F83 F93 V197 L198 Q199L79-A201 HydrophobicContact CD2-CB 4.29Å; A82-A201 HydrophobicContact CB-CB 3.84Å; F83-A201 HydrophobicContact CE1-CB 4.19Å; F83-A201 HydrophobicContact CE2-CB 4.1Å; F83-A201 HydrophobicContact CZ-CB 3.67Å; F93-A201 HydrophobicContact CD1-CB 4.22Å; F93-A201 HydrophobicContact CE1-CB 4.18Å; V197-A201 WeakPolarHBondContact O-CB 3.31Å; V197-A201 PolarHBondContact O-N 3.14Å; L198-A201 PolarHBondContact O-N 3.48Å; Q199-A201 VanDerWaalsContact C-N 3.35Å; Q199-A201 PolarHBondContact O-N 3.23Å
202S82.7Confident72.8Confident28 Ų2855.9 Ų55.920%0.19635%0.346CS..Hα-helixtrans-90.7-21.5-179.1-53.20000114L198 Q199 V200L198-S202 WeakPolarHBondContact O-CB 3.19Å; L198-S202 PolarHBondContact O-N 2.85Å; L198-S202 PolarHBondContact O-OG 3.28Å; Q199-S202 PolarHBondContact O-N 2.81Å; Q199-S202 VanDerWaalsContact O-N 3.07Å; V200-S202 PolarHBondContact O-N 3.24Å
203T74.7Confident71.8Confident101 Ų10149.5 Ų49.562%0.6232%0.324SS*.Hα-helixtrans-96.9-27.9-175.952.30000114.6Q199 V200 Q205Q199-T203 WeakPolarHBondContact O-CG2 3.24Å; Q199-T203 PolarHBondContact O-N 3.1Å; Q199-T203 PolarHBondContact O-OG1 2.94Å; V200-T203 PolarHBondContact O-N 2.05Å; V200-T203 PolarHBondContact O-OG1 3.13Å; T203-Q205 VanDerWaalsContact C-N 3.33Å; T203-Q205 PolarHBondContact O-N 3.14Å
204N57.3Low70.8Confident47 Ų4752.5 Ų52.525%0.25134%0.339SS..SBendtrans-92.745.7-170.5-74.1-3.1000113.4F93 Q96 V200F93-N204 HydrophobicContact CB-CB 4.16Å; Q96-N204 PolarHBondContact OE1-O 2.75Å; V200-N204 PolarHBondContact O-N 3.46Å
205Q55.6Low69.9Low49 Ų4954.3 Ų54.323%0.22935%0.349CS..SBendtrans-131.8135177-72.2-174.6-14.900112.1E78 T203E78-Q205 PolarHBondContact O-NE2 2.75Å; E78-Q205 PolarHBondContact O-OE1 3.46Å; T203-Q205 VanDerWaalsContact C-N 3.33Å; T203-Q205 PolarHBondContact O-N 3.14Å
206E49.5Very low69.6Low176 Ų17653.7 Ų53.782%0.82235%0.345SS*.  trans-57.4134.7164.6-70.1-130.4147.600108.2A208E206-A208 PolarHBondContact O-N 3.41Å
207P49.2Very low69.5Low126 Ų12652.9 Ų52.982%0.81834%0.336SS*.  trans-57.1109.3178.221.6-30.1000108.5A209P207-A209 PolarHBondContact O-N 2.89Å
208A45.3Very low69.5Low64 Ų6453 Ų5353%0.52934%0.337SS..  trans-52.8138177.100000108.7E206 G210E206-A208 PolarHBondContact O-N 3.41Å; A208-G210 CarbonylContact O-C 3.51Å; A208-G210 PolarHBondContact O-N 3.28Å
209A41.8Very low69.5Low121 Ų12153.9 Ų53.9100%134%0.342SS*.SBendtrans-61.77.9-176.100000115.1P207P207-A209 PolarHBondContact O-N 2.89Å
210G50.3Low69.7Low29 Ų2949.8 Ų49.830%0.29932%0.322SS..SBendtrans-131.3116.7167.300000109.1A208A208-G210 CarbonylContact O-C 3.51Å; A208-G210 PolarHBondContact O-N 3.28Å
211G54.2Low70Confident46 Ų4648.7 Ų48.747%0.47432%0.316SS..  trans-53.3171.6-16800000117.9
212S59.5Low70.3Confident79 Ų7948.7 Ų48.755%0.55232%0.315SS*.  trans-59131.3-173.656.80000113.6L214S212-L214 PolarHBondContact O-N 3.21Å
213C70.6Confident70.8Confident13 Ų1347.6 Ų47.69%0.08831%0.308CS..  trans-83.4107.9176.9-178.10000111.9F65 L215 C216F65-C213 HydrophobicContact CD1-CB 4.22Å; C213-L215 VanDerWaalsContact C-N 3.31Å; C213-L215 PolarHBondContact O-N 2.84Å; C213-C216 HydrophobicContact CB-CB 3.58Å; C213-C216 WeakPolarHBondContact CB-SG 3.27Å; C213-C216 WeakPolarHBondContact SG-CB 3.37Å; C213-C216 PolarHBondContact SG-N 2.82Å; C213-C216 CovalentContact SG-SG 2.02Å; C213-C216 PolarHBondContact SG-SG 3.13Å
214L70.3Confident71.7Confident65 Ų6542.8 Ų42.834%0.3428%0.278SS..THydrogen-bonded Turntrans-69.9-23.8-178.4-67.9166000114.3S212 D302S212-L214 PolarHBondContact O-N 3.21Å; L214-D302 HydrophobicContact CD1-CB 3.51Å; L214-D302 HydrophobicContact CD2-CB 4.25Å
215L76.8Confident73.3Confident39 Ų3942.6 Ų42.620%0.20428%0.276CS..THydrogen-bonded Turntrans-116.126-176.8-63.4175.9000111.5H70 Q71 M72 V73 C213H70-L215 VanDerWaalsContact C-CD1 3.42Å; Q71-L215 WeakPolarHBondContact O-CB 3.41Å; M72-L215 VanDerWaalsContact CA-O 3.22Å; M72-L215 WeakPolarHBondContact CA-O 3.28Å; M72-L215 HydrophobicContact CB-CB 4.34Å; M72-L215 WeakPolarHBondContact CG-O 3.41Å; V73-L215 PolarHBondContact N-O 3.24Å; C213-L215 VanDerWaalsContact C-N 3.31Å; C213-L215 PolarHBondContact O-N 2.84Å
216C84.3Confident74.8Confident3 Ų340.6 Ų40.62%0.0227%0.267CS..BIsolated β-bridgetrans-95.3148.2174.2-74.20000111.1V73 L75 L76 T142 C213V73-C216 VanDerWaalsContact O-CA 3.26Å; V73-C216 WeakPolarHBondContact O-CA 3.16Å; L75-C216 WeakPolarHBondContact O-CB 3.39Å; L75-C216 PolarHBondContact O-SG 2.94Å; L75-C216 VanDerWaalsContact O-SG 3.4Å; L76-C216 HydrophobicContact CD2-CB 3.51Å; L76-C216 HydrophobicContact CG-CB 4.18Å; T142-C216 CarbonylContact C-O 3.6Å; C213-C216 HydrophobicContact CB-CB 3.58Å; C213-C216 WeakPolarHBondContact CB-SG 3.27Å; C213-C216 WeakPolarHBondContact SG-CB 3.37Å; C213-C216 PolarHBondContact SG-N 2.82Å; C213-C216 CovalentContact SG-SG 2.02Å; C213-C216 PolarHBondContact SG-SG 3.13Å
217F89.9Confident76.3Confident12 Ų1236.2 Ų36.25%0.05326%0.256CS..  trans-140.7159.517367.4-87.8000109.2L48 L50 M72 V73 N74 L75 L140 V141 L268L48-F217 HydrophobicContact CD1-CE1 4.3Å; L50-F217 HydrophobicContact CD2-CE1 4.37Å; L50-F217 HydrophobicContact CD2-CZ 3.78Å; M72-F217 HydrophobicContact CG-CD1 3.79Å; M72-F217 HydrophobicContact CG-CE1 3.67Å; M72-F217 HydrophobicContact SD-CD1 3.91Å; M72-F217 HydrophobicContact SD-CE1 3.65Å; V73-F217 PolarHBondContact O-N 3.34Å; N74-F217 CarbonylContact C-O 3.55Å; N74-F217 WeakPolarHBondContact CA-O 3.27Å; N74-F217 HydrophobicContact CB-CD1 4.48Å; N74-F217 HydrophobicContact CB-CD2 4.06Å; N74-F217 HydrophobicContact CB-CE1 3.88Å; N74-F217 HydrophobicContact CB-CE2 3.42Å; N74-F217 VanDerWaalsContact CB-CE2 3.42Å; N74-F217 HydrophobicContact CB-CZ 3.33Å; N74-F217 VanDerWaalsContact O-O 3.1Å; L75-F217 PolarHBondContact N-O 2.02Å; L140-F217 HydrophobicContact CD1-CB 4.42Å; L140-F217 HydrophobicContact CD1-CD2 3.85Å; V141-F217 CarbonylContact O-C 3.53Å; V141-F217 WeakPolarHBondContact O-CA 3.49Å; V141-F217 WeakPolarHBondContact O-CB 3.38Å; F217-L268 HydrophobicContact CB-CD1 4.13Å; F217-L268 HydrophobicContact CB-CD2 4.26Å; F217-L268 HydrophobicContact CD1-CD1 3.74Å; F217-L268 HydrophobicContact CD2-CD1 3.33Å; F217-L268 HydrophobicContact CE1-CD1 3.85Å; F217-L268 HydrophobicContact CE2-CD1 3.44Å; F217-L268 VanDerWaalsContact CE2-CD1 3.44Å; F217-L268 HydrophobicContact CG-CD1 3.46Å; F217-L268 VanDerWaalsContact CG-CD1 3.46Å; F217-L268 HydrophobicContact CG-CD2 4.38Å; F217-L268 HydrophobicContact CZ-CD1 3.69Å
218Q90.4Very high77.3Confident2 Ų231.9 Ų31.91%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-147.5136.1174.3-170.1167.5-13.900110.2L76 M80 V141 L220 P239L76-Q218 HydrophobicContact CB-CB 4.27Å; L76-Q218 HydrophobicContact CD1-CB 3.96Å; L76-Q218 HydrophobicContact CG-CB 4.18Å; L76-Q218 PolarHBondContact O-OE1 3.26Å; M80-Q218 PolarHBondContact SD-NE2 3.04Å; V141-Q218 PolarHBondContact N-O 3.4Å; V141-Q218 PolarHBondContact O-N 3.46Å; Q218-L220 HydrophobicContact CG-CD2 3.9Å; Q218-P239 PolarHBondContact NE2-O 2.97Å
219L92.9Very high78.9Confident19 Ų1931.1 Ų31.110%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-97.8118.6174.6-173.767.8000109F138 L140 G240 L241 V260 L261 F320F138-L219 HydrophobicContact CB-CD1 4.45Å; L140-L219 HydrophobicContact CB-CD1 4.18Å; L140-L219 HydrophobicContact CD1-CB 4.49Å; L140-L219 HydrophobicContact CD1-CD1 4.44Å; L219-G240 CarbonylContact O-C 3.56Å; L219-L241 HydrophobicContact CD2-CB 4.01Å; L219-L241 HydrophobicContact CD2-CD1 4.05Å; L219-L241 HydrophobicContact CD2-CD2 3.78Å; L219-L241 HydrophobicContact CD2-CG 4.18Å; L219-V260 HydrophobicContact CD1-CG1 4.11Å; L219-V260 HydrophobicContact CD2-CG1 3.69Å; L219-V260 HydrophobicContact CG-CG1 4.48Å; L219-L261 HydrophobicContact CD2-CD2 4.22Å; L219-F320 HydrophobicContact CD1-CZ 4.43Å
220L93.3Very high81Confident0 Ų026.7 Ų26.70%019%0.188CC..EExtended strand (participates in β ladder)trans-110.1151.6-177.5-56.7175.4000110.5L79 F83 F138 V139 V141 L198 Q218 F222 P239L79-L220 HydrophobicContact CD1-CD1 4.13Å; F83-L220 HydrophobicContact CE2-CD1 3.98Å; F138-L220 WeakPolarHBondContact CA-O 3.25Å; V139-L220 PolarHBondContact N-O 2.99Å; V139-L220 PolarHBondContact O-N 3.37Å; V141-L220 HydrophobicContact CG2-CD1 3.87Å; L198-L220 HydrophobicContact CD2-CD1 3.85Å; Q218-L220 HydrophobicContact CG-CD2 3.9Å; L220-F222 HydrophobicContact CB-CD2 4.22Å; L220-F222 HydrophobicContact CB-CE2 3.89Å; L220-F222 HydrophobicContact CD1-CE2 3.9Å; L220-F222 HydrophobicContact CD1-CZ 4.47Å; L220-P239 HydrophobicContact CD2-CB 4.46Å
221T93.7Very high82.7Confident3 Ų328.1 Ų28.12%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-112119.2170.1-48.80000110N136 F138 V237 D238 G240 S242N136-T221 HydrophobicContact CB-CG2 4.09Å; F138-T221 HydrophobicContact CD1-CG2 4.08Å; F138-T221 HydrophobicContact CE1-CG2 4.01Å; T221-V237 WeakPolarHBondContact O-CA 3.41Å; T221-D238 PolarHBondContact N-O 3.08Å; T221-D238 PolarHBondContact O-N 3.08Å; T221-G240 PolarHBondContact N-O 2.76Å; T221-G240 PolarHBondContact OG1-O 2.97Å; T221-S242 WeakPolarHBondContact CG2-O 3.38Å; T221-S242 PolarHBondContact OG1-N 3.48Å
222F94.6Very high84.5Confident0 Ų026.2 Ų26.20%017%0.173CC..EExtended strand (participates in β ladder)trans-102.3126.7172.8-77.2-110.5000109.2F83 N136 V137 V139 V194 V197 L198 L220 L224 V234 V237F83-F222 HydrophobicContact CZ-CZ 4.29Å; N136-F222 CarbonylContact C-O 3.54Å; N136-F222 WeakPolarHBondContact CA-O 3.42Å; V137-F222 HydrophobicContact CG2-CB 3.62Å; V137-F222 PolarHBondContact N-O 3.16Å; V137-F222 PolarHBondContact O-N 3.44Å; V139-F222 HydrophobicContact CB-CD2 4.11Å; V139-F222 HydrophobicContact CB-CE2 4.17Å; V139-F222 HydrophobicContact CG2-CD2 3.68Å; V139-F222 HydrophobicContact CG2-CE2 4.11Å; V139-F222 HydrophobicContact CG2-CG 4.46Å; V194-F222 HydrophobicContact CG1-CD1 4.45Å; V194-F222 HydrophobicContact CG1-CD2 4.49Å; V194-F222 HydrophobicContact CG1-CE1 4.28Å; V194-F222 HydrophobicContact CG1-CE2 4.33Å; V194-F222 HydrophobicContact CG1-CZ 4.23Å; V194-F222 HydrophobicContact CG2-CD1 4.34Å; V194-F222 HydrophobicContact CG2-CG 4.48Å; V197-F222 HydrophobicContact CB-CE1 4.19Å; V197-F222 HydrophobicContact CG1-CE1 3.93Å; V197-F222 HydrophobicContact CG1-CZ 4.49Å; L198-F222 HydrophobicContact CD2-CE2 4.3Å; L198-F222 HydrophobicContact CD2-CZ 3.86Å; L198-F222 HydrophobicContact CG-CZ 4.02Å; L220-F222 HydrophobicContact CB-CD2 4.22Å; L220-F222 HydrophobicContact CB-CE2 3.89Å; L220-F222 HydrophobicContact CD1-CE2 3.9Å; L220-F222 HydrophobicContact CD1-CZ 4.47Å; F222-L224 HydrophobicContact CB-CD2 4.37Å; F222-V234 HydrophobicContact CD1-CG1 3.97Å; F222-V234 HydrophobicContact CD1-CG2 4.28Å; F222-V237 HydrophobicContact CD1-CG2 3.71Å; F222-V237 HydrophobicContact CD2-CG1 4.33Å; F222-V237 HydrophobicContact CE1-CG1 4.24Å; F222-V237 HydrophobicContact CE1-CG2 3.66Å; F222-V237 HydrophobicContact CE2-CG1 4.03Å; F222-V237 HydrophobicContact CG-CG2 4.33Å; F222-V237 HydrophobicContact CZ-CG1 3.98Å; F222-V237 HydrophobicContact CZ-CG2 4.23Å
223T93.5Very high86.1Confident5 Ų524 Ų243%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-95.7116.6168.2-56.20000109.1M134 V135 N136 V235 Q236M134-T223 HydrophobicContact CB-CG2 4.33Å; M134-T223 HydrophobicContact SD-CG2 3.97Å; V135-T223 WeakPolarHBondContact O-CA 3.4Å; N136-T223 WeakPolarHBondContact OD1-CG2 3.17Å; N136-T223 PolarHBondContact OD1-OG1 3.12Å; T223-V235 HydrophobicContact CG2-CG2 3.7Å; T223-V235 WeakPolarHBondContact O-CG2 3.07Å; T223-V235 PolarHBondContact O-N 3.07Å; T223-Q236 PolarHBondContact N-O 3.35Å; T223-Q236 PolarHBondContact O-N 3.01Å
224L93.4Very high87.1Confident1 Ų123.4 Ų23.41%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-102.3134.9178.9-54.3-176.5000109.9M134 V135 V137 V190 V194 F222 F226 P232 V234M134-L224 CarbonylContact C-O 3.5Å; M134-L224 WeakPolarHBondContact CA-O 3.12Å; V135-L224 HydrophobicContact CB-CB 4.43Å; V135-L224 PolarHBondContact N-O 3.04Å; V135-L224 PolarHBondContact O-N 3.38Å; V137-L224 HydrophobicContact CG1-CD1 3.77Å; V137-L224 HydrophobicContact CG1-CG 4.36Å; V137-L224 HydrophobicContact CG2-CD1 4Å; V137-L224 HydrophobicContact CG2-CG 4.21Å; V190-L224 HydrophobicContact CG1-CD1 3.75Å; V190-L224 HydrophobicContact CG2-CD1 4.48Å; V194-L224 HydrophobicContact CG2-CD2 4.41Å; F222-L224 HydrophobicContact CB-CD2 4.37Å; L224-F226 HydrophobicContact CB-CE2 4.23Å; L224-P232 HydrophobicContact CB-CB 4.06Å; L224-P232 HydrophobicContact CD1-CG 4.39Å; L224-V234 HydrophobicContact CD2-CB 4.47Å; L224-V234 HydrophobicContact CD2-CG2 3.72Å
225M90.1Very high88.1Confident43 Ų4320.3 Ų20.321%0.21214%0.139CC..EExtended strand (participates in β ladder)trans-105.5121.9173.6-173.8176.465.500109.9P116 V132 M134 P232 A233 V235P116-M225 HydrophobicContact CG-SD 3.94Å; V132-M225 HydrophobicContact CG1-CG 3.94Å; V132-M225 HydrophobicContact CG1-SD 4.31Å; M134-M225 HydrophobicContact CE-CB 4.02Å; M134-M225 HydrophobicContact CE-CG 3.75Å; M134-M225 HydrophobicContact CE-SD 3.56Å; M134-M225 VanDerWaalsContact CE-SD 3.56Å; M134-M225 HydrophobicContact SD-CB 3.77Å; M134-M225 HydrophobicContact SD-CG 3.97Å; M225-P232 WeakPolarHBondContact O-CA 3.27Å; M225-A233 PolarHBondContact N-O 3.15Å; M225-A233 PolarHBondContact O-N 3.46Å; M225-A233 VanDerWaalsContact O-N 3.07Å; M225-V235 HydrophobicContact CB-CG1 3.64Å; M225-V235 HydrophobicContact CB-CG2 4.37Å; M225-V235 HydrophobicContact CE-CG1 4.15Å; M225-V235 HydrophobicContact SD-CG1 4.34Å
226F87.8Confident88.8Confident6 Ų620 Ų203%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-100117.1171.2-70.4-89.9000109.7V132 A133 V135 F173 L174 F178 V190 L224 G228 P232V132-F226 VanDerWaalsContact CA-O 3.26Å; V132-F226 WeakPolarHBondContact CA-O 3.43Å; A133-F226 PolarHBondContact N-O 2.85Å; A133-F226 VanDerWaalsContact N-O 3.16Å; A133-F226 PolarHBondContact O-N 2.87Å; V135-F226 HydrophobicContact CB-CD2 4.37Å; V135-F226 HydrophobicContact CB-CE2 4.07Å; V135-F226 HydrophobicContact CG2-CD2 3.69Å; V135-F226 HydrophobicContact CG2-CE2 3.72Å; F173-F226 HydrophobicContact CE1-CD2 4.31Å; F173-F226 HydrophobicContact CE1-CE2 4.03Å; F173-F226 HydrophobicContact CE1-CZ 4.41Å; F173-F226 HydrophobicContact CZ-CD2 4.44Å; L174-F226 HydrophobicContact CD2-CE1 4.43Å; L174-F226 HydrophobicContact CD2-CZ 4.23Å; F178-F226 AromaticContact CE2-CD1 3.94Å; F178-F226 HydrophobicContact CE2-CD1 3.94Å; F178-F226 AromaticContact CE2-CE1 3.95Å; F178-F226 HydrophobicContact CE2-CE1 3.95Å; F178-F226 AromaticContact CZ-CD1 3.57Å; F178-F226 HydrophobicContact CZ-CD1 3.57Å; F178-F226 HydrophobicContact CZ-CE1 4.02Å; F178-F226 HydrophobicContact CZ-CG 4.35Å; V190-F226 HydrophobicContact CG2-CE1 4.37Å; V190-F226 HydrophobicContact CG2-CZ 3.77Å; L224-F226 HydrophobicContact CB-CE2 4.23Å; F226-G228 VanDerWaalsContact C-N 3.31Å; F226-P232 HydrophobicContact CD1-CB 4.04Å; F226-P232 HydrophobicContact CD2-CB 4.37Å; F226-P232 HydrophobicContact CE1-CB 3.78Å; F226-P232 HydrophobicContact CE1-CG 4.05Å; F226-P232 HydrophobicContact CE2-CB 4.1Å; F226-P232 HydrophobicContact CG-CB 4.36Å; F226-P232 HydrophobicContact CZ-CB 3.82Å; F226-P232 HydrophobicContact CZ-CG 4.06Å
227S79.8Confident89.1Confident85 Ų8519.9 Ų19.959%0.59414%0.136SC*.SBendtrans-93.622.6177.158.30000113.5
228G70.3Confident89.1Confident34 Ų3421.5 Ų21.535%0.35115%0.145SC..SBendtrans91.6-9-174.600000115.4A130 F226A130-G228 VanDerWaalsContact CB-CA 3.41Å; F226-G228 VanDerWaalsContact C-N 3.31Å
229A80.4Confident88.8Confident48 Ų4823.2 Ų23.240%0.39716%0.156SC..SBendtrans-85.9162.8167.600000111.8F178 S231F178-A229 VanDerWaalsContact CE1-O 3.29Å; F178-A229 WeakPolarHBondContact CE1-O 3.37Å; F178-A229 VanDerWaalsContact CZ-O 3.29Å; F178-A229 WeakPolarHBondContact CZ-O 3.45Å; A229-S231 PolarHBondContact O-N 3.12Å
230T84.1Confident88.3Confident28 Ų2823.3 Ų23.317%0.17216%0.162CC..SBendtrans-71.6-18.6173.751.80000113F178 L185 A186 Q189 P232F178-T230 HydrophobicContact CD1-CG2 4.13Å; F178-T230 HydrophobicContact CE1-CG2 4.48Å; F178-T230 HydrophobicContact CG-CG2 4.43Å; L185-T230 HydrophobicContact CD2-CG2 4.39Å; A186-T230 HydrophobicContact CB-CG2 4.07Å; Q189-T230 WeakPolarHBondContact CB-O 3.19Å; T230-P232 WeakPolarHBondContact O-CD 3.46Å
231S87.3Confident87.9Confident59 Ų5924 Ų2441%0.41317%0.165SC..SBendtrans-92.5112.8178.1-58.50000111.3A229A229-S231 PolarHBondContact O-N 3.12Å
232P92.4Very high87.3Confident7 Ų725.7 Ų25.75%0.04518%0.178CC..  trans-82156.4174.233.7-34.4000112V190 A193 L224 M225 F226 T230V190-P232 HydrophobicContact CG2-CG 4.2Å; A193-P232 HydrophobicContact CB-CG 4.17Å; L224-P232 HydrophobicContact CB-CB 4.06Å; L224-P232 HydrophobicContact CD1-CG 4.39Å; M225-P232 WeakPolarHBondContact O-CA 3.27Å; F226-P232 HydrophobicContact CD1-CB 4.04Å; F226-P232 HydrophobicContact CD2-CB 4.37Å; F226-P232 HydrophobicContact CE1-CB 3.78Å; F226-P232 HydrophobicContact CE1-CG 4.05Å; F226-P232 HydrophobicContact CE2-CB 4.1Å; F226-P232 HydrophobicContact CG-CB 4.36Å; F226-P232 HydrophobicContact CZ-CB 3.82Å; F226-P232 HydrophobicContact CZ-CG 4.06Å; T230-P232 WeakPolarHBondContact O-CD 3.46Å
233A91.3Very high86.6Confident32 Ų3226 Ų2626%0.26418%0.18SC..EExtended strand (participates in β ladder)trans-105.9137165.600000110.4M225M225-A233 PolarHBondContact N-O 3.15Å; M225-A233 PolarHBondContact O-N 3.46Å; M225-A233 VanDerWaalsContact O-N 3.07Å
234V92.9Very high85.4Confident0 Ų027.3 Ų27.30%019%0.188CC..EExtended strand (participates in β ladder)trans-74.5125.3171.6-178.90000108.9P103 M104 R105 A193 V197 F222 L224 V237P103-V234 PolarHBondContact O-N 2.91Å; M104-V234 CarbonylContact C-O 3.57Å; M104-V234 WeakPolarHBondContact CA-O 3.49Å; M104-V234 HydrophobicContact CB-CB 3.88Å; M104-V234 HydrophobicContact CE-CG1 4.47Å; M104-V234 HydrophobicContact CG-CB 3.88Å; M104-V234 HydrophobicContact CG-CG1 4Å; M104-V234 HydrophobicContact SD-CG1 4.43Å; R105-V234 PolarHBondContact N-O 3.1Å; A193-V234 HydrophobicContact CB-CG2 4.45Å; V197-V234 HydrophobicContact CG2-CG2 4.15Å; F222-V234 HydrophobicContact CD1-CG1 3.97Å; F222-V234 HydrophobicContact CD1-CG2 4.28Å; L224-V234 HydrophobicContact CD2-CB 4.47Å; L224-V234 HydrophobicContact CD2-CG2 3.72Å; V234-V237 HydrophobicContact CG1-CG2 3.7Å
235V91.1Very high83.8Confident1 Ų130.4 Ų30.41%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-119.1-14.5-177.8-58.30000113.6R105 S108 N113 P116 M134 T223 M225R105-V235 HydrophobicContact CG-CG1 4.23Å; S108-V235 WeakPolarHBondContact OG-CA 3.2Å; S108-V235 PolarHBondContact OG-O 2.83Å; S108-V235 VanDerWaalsContact OG-O 3.13Å; N113-V235 PolarHBondContact ND2-O 3.22Å; N113-V235 VanDerWaalsContact ND2-O 3.11Å; P116-V235 HydrophobicContact CG-CB 4.46Å; P116-V235 HydrophobicContact CG-CG1 4.29Å; M134-V235 HydrophobicContact CE-CG2 4.11Å; M134-V235 HydrophobicContact SD-CG2 3.72Å; T223-V235 HydrophobicContact CG2-CG2 3.7Å; T223-V235 WeakPolarHBondContact O-CG2 3.07Å; T223-V235 PolarHBondContact O-N 3.07Å; M225-V235 HydrophobicContact CB-CG1 3.64Å; M225-V235 HydrophobicContact CB-CG2 4.37Å; M225-V235 HydrophobicContact CE-CG1 4.15Å; M225-V235 HydrophobicContact SD-CG1 4.34Å
236Q91Very high82Confident31 Ų3136.8 Ų36.815%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-153.3143170.4-169.5-177.72.300110.4S108 T223S108-Q236 CarbonylContact O-C 3.48Å; S108-Q236 VanDerWaalsContact O-CA 3.25Å; S108-Q236 WeakPolarHBondContact O-CA 3.39Å; T223-Q236 PolarHBondContact N-O 3.35Å; T223-Q236 PolarHBondContact O-N 3.01Å
237V91.3Very high80.6Confident2 Ų239.4 Ų39.41%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-125.2123.9164-173.10000108.4F83 M104 S108 T221 F222 V234F83-V237 HydrophobicContact CD1-CB 3.95Å; F83-V237 HydrophobicContact CD1-CG1 3.77Å; F83-V237 HydrophobicContact CD1-CG2 4.38Å; F83-V237 HydrophobicContact CD2-CG1 4.15Å; F83-V237 HydrophobicContact CE1-CB 4.15Å; F83-V237 HydrophobicContact CE1-CG1 3.84Å; F83-V237 HydrophobicContact CE1-CG2 4.14Å; F83-V237 HydrophobicContact CE2-CG1 4.2Å; F83-V237 HydrophobicContact CG-CB 4.47Å; F83-V237 HydrophobicContact CG-CG1 3.94Å; F83-V237 HydrophobicContact CZ-CG1 4.06Å; M104-V237 HydrophobicContact CE-CG2 3.87Å; S108-V237 PolarHBondContact O-N 3Å; T221-V237 WeakPolarHBondContact O-CA 3.41Å; F222-V237 HydrophobicContact CD1-CG2 3.71Å; F222-V237 HydrophobicContact CD2-CG1 4.33Å; F222-V237 HydrophobicContact CE1-CG1 4.24Å; F222-V237 HydrophobicContact CE1-CG2 3.66Å; F222-V237 HydrophobicContact CE2-CG1 4.03Å; F222-V237 HydrophobicContact CG-CG2 4.33Å; F222-V237 HydrophobicContact CZ-CG1 3.98Å; F222-V237 HydrophobicContact CZ-CG2 4.23Å; V234-V237 HydrophobicContact CG1-CG2 3.7Å
238D88.8Confident79.3Confident46 Ų4642.7 Ų42.725%0.24627%0.273CS..EExtended strand (participates in β ladder)trans-103125.1172.4-164.8-41.4000108.7T221 G240 S242T221-D238 PolarHBondContact N-O 3.08Å; T221-D238 PolarHBondContact O-N 3.08Å; D238-G240 PolarHBondContact O-N 2.98Å; D238-G240 VanDerWaalsContact O-N 3.1Å; D238-G240 PolarHBondContact OD1-N 3.03Å; D238-S242 WeakPolarHBondContact OD2-CB 3.09Å; D238-S242 PolarHBondContact OD2-OG 3.45Å; D238-S242 VanDerWaalsContact OD2-OG 3.05Å
239P84.2Confident78.9Confident38 Ų3843.7 Ų43.725%0.24727%0.271CS..SBendtrans-68-0.4177.328.8-34.5000114.1M80 Q218 L220M80-P239 HydrophobicContact SD-CB 3.8Å; Q218-P239 PolarHBondContact NE2-O 2.97Å; L220-P239 HydrophobicContact CD2-CB 4.46Å
240G83.3Confident78.5Confident21 Ų2142.6 Ų42.622%0.21626%0.262CS..SBendtrans-129.3-171.5170.300000114.1L219 T221 D238 S242L219-G240 CarbonylContact O-C 3.56Å; T221-G240 PolarHBondContact N-O 2.76Å; T221-G240 PolarHBondContact OG1-O 2.97Å; D238-G240 PolarHBondContact O-N 2.98Å; D238-G240 VanDerWaalsContact O-N 3.1Å; D238-G240 PolarHBondContact OD1-N 3.03Å; G240-S242 PolarHBondContact O-N 2.99Å
241L84.6Confident78.5Confident13 Ų1341.7 Ų41.77%0.06826%0.256CS..  trans-83.4102.1177-178.156000111.5F138 L219 V243 R257 V260 L261F138-L241 HydrophobicContact CD1-CD1 3.37Å; F138-L241 HydrophobicContact CE1-CD1 3.61Å; F138-L241 HydrophobicContact CG-CD1 4.16Å; L219-L241 HydrophobicContact CD2-CB 4.01Å; L219-L241 HydrophobicContact CD2-CD1 4.05Å; L219-L241 HydrophobicContact CD2-CD2 3.78Å; L219-L241 HydrophobicContact CD2-CG 4.18Å; L241-V243 HydrophobicContact CD1-CG2 4.04Å; L241-V243 HydrophobicContact CG-CG2 4.31Å; L241-R257 HydrophobicContact CD2-CB 4.27Å; L241-R257 HydrophobicContact CD2-CG 3.71Å; L241-R257 HydrophobicContact CG-CG 4.33Å; L241-R257 PolarHBondContact O-NH2 3.05Å; L241-V260 HydrophobicContact CD1-CG1 4.32Å; L241-V260 HydrophobicContact CD2-CB 4.37Å; L241-V260 HydrophobicContact CD2-CG1 4.49Å; L241-L261 HydrophobicContact CD2-CD1 4.19Å; L241-L261 HydrophobicContact CD2-CD2 3.77Å; L241-L261 HydrophobicContact CD2-CG 3.61Å
242S81.2Confident78.3Confident40 Ų4043.9 Ų43.928%0.2826%0.255SS..  trans-111.698.1-175.2-162.30000110.6N136 T221 D238 G240N136-S242 PolarHBondContact ND2-O 2.7Å; T221-S242 WeakPolarHBondContact CG2-O 3.38Å; T221-S242 PolarHBondContact OG1-N 3.48Å; D238-S242 WeakPolarHBondContact OD2-CB 3.09Å; D238-S242 PolarHBondContact OD2-OG 3.45Å; D238-S242 VanDerWaalsContact OD2-OG 3.05Å; G240-S242 PolarHBondContact O-N 2.99Å
243V78.9Confident77.8Confident7 Ų743.7 Ų43.74%0.04225%0.254CS..  trans-107.6128.3174.1-171.80000108.1F138 V156 L241 S245 T256 R257F138-V243 HydrophobicContact CE1-CG2 3.88Å; F138-V243 HydrophobicContact CZ-CG2 3.94Å; V156-V243 HydrophobicContact CG2-CG1 4.38Å; L241-V243 HydrophobicContact CD1-CG2 4.04Å; L241-V243 HydrophobicContact CG-CG2 4.31Å; V243-S245 PolarHBondContact O-N 3.38Å; V243-T256 HydrophobicContact CG1-CG2 4.4Å; V243-T256 HydrophobicContact CG2-CG2 4.5Å; V243-R257 HydrophobicContact CG2-CB 4.2Å
244P68.2Low77.5Confident31 Ų3144.2 Ų44.220%0.20125%0.251CS..  trans-54.8125.6172.5-16.925.8000110.2V156V156-P244 HydrophobicContact CG1-CG 4.4Å
245S59.8Low77.1Confident66 Ų6644.6 Ų44.646%0.46225%0.253SS..  trans-141.669-178.758.60000110.3V243V243-S245 PolarHBondContact O-N 3.38Å
246Q54.3Low77Confident177 Ų17744.6 Ų44.683%0.82725%0.253SS*.  trans-123.7145.3173.6-69.8-171.717.800110.8
247G57.9Low76.8Confident61 Ų6145.3 Ų45.363%0.62926%0.255SS*.G310 helixtrans75.1-153.8171.300000115.1D249 A250G247-D249 PolarHBondContact O-N 3.48Å; G247-A250 PolarHBondContact O-N 3.17Å
248E52.3Low76.6Confident154 Ų15445.4 Ų45.472%0.7226%0.255SS*.G310 helixtrans-60.8-13.7-174.3-68.3-152.9148.200114.8R413E248-R413 PolarHBondContact O-NH1 2.97Å; E248-R413 PolarHBondContact O-NH2 2.94Å
249D62.4Low76.5Confident55 Ų5545.8 Ų45.829%0.29425%0.253SS..G310 helixtrans-102.314.9-178.2-77.1-44.5000114.4P164 G247 F251 R252 G253P164-D249 HydrophobicContact CB-CB 3.93Å; P164-D249 WeakPolarHBondContact CB-OD2 3.39Å; P164-D249 WeakPolarHBondContact CG-OD2 3.5Å; G247-D249 PolarHBondContact O-N 3.48Å; D249-F251 PolarHBondContact O-N 2.84Å; D249-F251 VanDerWaalsContact O-N 3.16Å; D249-R252 WeakPolarHBondContact O-CB 3.34Å; D249-R252 PolarHBondContact O-N 3.28Å; D249-G253 PolarHBondContact O-N 3.37Å
250A71.5Confident76.8Confident25 Ų2544 Ų4421%0.20724%0.241CC..Hα-helixtrans-50-41.2176.400000112.8G247 R252 G253 Q254G247-A250 PolarHBondContact O-N 3.17Å; A250-R252 VanDerWaalsContact C-N 3.35Å; A250-R252 PolarHBondContact O-N 3.42Å; A250-G253 PolarHBondContact O-N 3.36Å; A250-Q254 WeakPolarHBondContact O-CB 3.47Å; A250-Q254 PolarHBondContact O-N 2.75Å
251F84.2Confident77.1Confident10 Ų1044 Ų444%0.04424%0.236CC..Hα-helixtrans-61.5-38.6175.6-66.8-45000113.4D249 Q254 I255 Y383 E385 R413 R415 T435D249-F251 PolarHBondContact O-N 2.84Å; D249-F251 VanDerWaalsContact O-N 3.16Å; F251-Q254 PolarHBondContact O-N 3.03Å; F251-I255 HydrophobicContact CB-CD1 4.41Å; F251-I255 WeakPolarHBondContact O-CB 3.29Å; F251-I255 VanDerWaalsContact O-CD1 3.3Å; F251-I255 WeakPolarHBondContact O-CD1 3.44Å; F251-I255 WeakPolarHBondContact O-CG1 3.28Å; F251-I255 PolarHBondContact O-N 2.82Å; F251-Y383 HydrophobicContact CD1-CG 4.45Å; F251-E385 HydrophobicContact CE1-CB 4.12Å; F251-E385 HydrophobicContact CZ-CB 3.74Å; F251-R413 HydrophobicContact CE2-CB 4.29Å; F251-R413 HydrophobicContact CE2-CG 3.78Å; F251-R413 HydrophobicContact CZ-CB 4.34Å; F251-R413 HydrophobicContact CZ-CG 4.31Å; F251-R415 HydrophobicContact CB-CB 4.25Å; F251-R415 HydrophobicContact CB-CG 4.12Å; F251-R415 HydrophobicContact CD1-CB 4.34Å; F251-R415 HydrophobicContact CD2-CB 3.52Å; F251-R415 HydrophobicContact CD2-CG 4.21Å; F251-R415 HydrophobicContact CE2-CB 3.84Å; F251-R415 HydrophobicContact CG-CB 3.8Å; F251-R415 HydrophobicContact CG-CG 4.22Å; F251-R415 HydrophobicContact CZ-CB 4.39Å; F251-T435 HydrophobicContact CD2-CG2 4.27Å; F251-T435 HydrophobicContact CE2-CG2 4.22Å
252R82.3Confident77.3Confident104 Ų10444.2 Ų44.239%0.39224%0.237SC..Hα-helixtrans-66.5-42.9-179.4-177.7-179.2-80.8-178.4-1.7110.8D249 A250 Q254 I255 T256D249-R252 WeakPolarHBondContact O-CB 3.34Å; D249-R252 PolarHBondContact O-N 3.28Å; A250-R252 VanDerWaalsContact C-N 3.35Å; A250-R252 PolarHBondContact O-N 3.42Å; R252-Q254 VanDerWaalsContact C-N 3.34Å; R252-I255 PolarHBondContact O-N 2.96Å; R252-T256 WeakPolarHBondContact O-CB 3.44Å; R252-T256 PolarHBondContact O-N 2.9Å; R252-T256 PolarHBondContact O-OG1 2.91Å
253G83.1Confident77.7Confident4 Ų444 Ų444%0.04123%0.232CC..Hα-helixtrans-59.6-46.1174.400000111.7D249 A250 T256 R257D249-G253 PolarHBondContact O-N 3.37Å; A250-G253 PolarHBondContact O-N 3.36Å; G253-T256 PolarHBondContact O-N 2.68Å; G253-R257 PolarHBondContact O-N 3.01Å
254Q83.3Confident78.3Confident43 Ų4343.8 Ų43.820%0.20123%0.232CC..Hα-helixtrans-63.5-47.2177.1-168.3-178.6-5.500112.9A250 F251 R252 T256 R257 D258 Y383A250-Q254 WeakPolarHBondContact O-CB 3.47Å; A250-Q254 PolarHBondContact O-N 2.75Å; F251-Q254 PolarHBondContact O-N 3.03Å; R252-Q254 VanDerWaalsContact C-N 3.34Å; Q254-T256 VanDerWaalsContact C-N 3.27Å; Q254-T256 PolarHBondContact O-N 3.35Å; Q254-R257 PolarHBondContact O-N 2.8Å; Q254-D258 VanDerWaalsContact O-CG 3.28Å; Q254-D258 PolarHBondContact O-N 3.01Å; Q254-Y383 HydrophobicContact CB-CE1 4.5Å; Q254-Y383 VanDerWaalsContact CD-CD1 3.47Å; Q254-Y383 HydrophobicContact CG-CD1 4.01Å; Q254-Y383 HydrophobicContact CG-CE1 3.82Å
255I86.4Confident79.2Confident7 Ų742.5 Ų42.54%0.03622%0.223CC..Hα-helixtrans-57.7-41.8176.7-71.5160.2000111.1F251 R252 D258 R259 R380 Y383 R415 E417F251-I255 HydrophobicContact CB-CD1 4.41Å; F251-I255 WeakPolarHBondContact O-CB 3.29Å; F251-I255 VanDerWaalsContact O-CD1 3.3Å; F251-I255 WeakPolarHBondContact O-CD1 3.44Å; F251-I255 WeakPolarHBondContact O-CG1 3.28Å; F251-I255 PolarHBondContact O-N 2.82Å; R252-I255 PolarHBondContact O-N 2.96Å; I255-D258 PolarHBondContact O-N 2.89Å; I255-R259 WeakPolarHBondContact O-CG 3.5Å; I255-R259 PolarHBondContact O-N 2.93Å; I255-R380 PolarHBondContact O-NH2 2.63Å; I255-Y383 HydrophobicContact CD1-CD2 4.2Å; I255-Y383 HydrophobicContact CD1-CE2 4.2Å; I255-Y383 HydrophobicContact CG1-CD2 3.78Å; I255-Y383 HydrophobicContact CG1-CE1 4.27Å; I255-Y383 HydrophobicContact CG1-CE2 3.38Å; I255-Y383 HydrophobicContact CG1-CG 4.38Å; I255-R415 HydrophobicContact CD1-CG 4.09Å; I255-E417 HydrophobicContact CG2-CG 4.39Å
256T87.4Confident80.5Confident1 Ų144.5 Ų44.51%0.00622%0.22CC..Hα-helixtrans-66.4-47.4179.1-57.60000110.7F138 I154 V156 Q167 V243 R252 G253 Q254 D258 R259 V260F138-T256 HydrophobicContact CE2-CG2 4.11Å; F138-T256 HydrophobicContact CZ-CG2 4.21Å; I154-T256 HydrophobicContact CG2-CG2 4.23Å; V156-T256 HydrophobicContact CG2-CG2 4.04Å; Q167-T256 PolarHBondContact OE1-OG1 3.31Å; V243-T256 HydrophobicContact CG1-CG2 4.4Å; V243-T256 HydrophobicContact CG2-CG2 4.5Å; R252-T256 WeakPolarHBondContact O-CB 3.44Å; R252-T256 PolarHBondContact O-N 2.9Å; R252-T256 PolarHBondContact O-OG1 2.91Å; G253-T256 PolarHBondContact O-N 2.68Å; Q254-T256 VanDerWaalsContact C-N 3.27Å; Q254-T256 PolarHBondContact O-N 3.35Å; T256-D258 VanDerWaalsContact C-N 3.3Å; T256-D258 PolarHBondContact O-N 2.96Å; T256-R259 PolarHBondContact O-N 3.05Å; T256-V260 HydrophobicContact CG2-CG2 4.49Å; T256-V260 WeakPolarHBondContact O-CG2 3.4Å; T256-V260 PolarHBondContact O-N 2.79Å
257R87.1Confident82.1Confident47 Ų4736.2 Ų36.218%0.17718%0.182CC..Hα-helixtrans-54.3-49.3174.8172.2173.6-77.5114.7-4.4110.7L241 V243 G253 Q254 R259 V260 L261L241-R257 HydrophobicContact CD2-CB 4.27Å; L241-R257 HydrophobicContact CD2-CG 3.71Å; L241-R257 HydrophobicContact CG-CG 4.33Å; L241-R257 PolarHBondContact O-NH2 3.05Å; V243-R257 HydrophobicContact CG2-CB 4.2Å; G253-R257 PolarHBondContact O-N 3.01Å; Q254-R257 PolarHBondContact O-N 2.8Å; R257-R259 PolarHBondContact O-N 3.33Å; R257-V260 PolarHBondContact O-N 3.3Å; R257-L261 HydrophobicContact CG-CD1 3.81Å; R257-L261 HydrophobicContact CG-CG 4.47Å; R257-L261 VanDerWaalsContact O-CG 3.3Å; R257-L261 WeakPolarHBondContact O-CG 3.38Å; R257-L261 PolarHBondContact O-N 3.03Å
258D87Confident83.5Confident3 Ų333.4 Ų33.42%0.01615%0.152CC..Hα-helixtrans-63.1-40.5-178.8-68.72.1000112.8L13 Q254 I255 T256 E262 Y383L13-D258 HydrophobicContact CD1-CB 4.42Å; L13-D258 VanDerWaalsContact CD2-CA 3.47Å; L13-D258 HydrophobicContact CD2-CB 3.68Å; L13-D258 WeakPolarHBondContact CD2-O 3.24Å; Q254-D258 VanDerWaalsContact O-CG 3.28Å; Q254-D258 PolarHBondContact O-N 3.01Å; I255-D258 PolarHBondContact O-N 2.89Å; T256-D258 VanDerWaalsContact C-N 3.3Å; T256-D258 PolarHBondContact O-N 2.96Å; D258-E262 VanDerWaalsContact O-CB 3.25Å; D258-E262 WeakPolarHBondContact O-CB 3.49Å; D258-E262 PolarHBondContact O-N 2.73Å; D258-Y383 WeakPolarHBondContact OD2-CE1 3.12Å; D258-Y383 VanDerWaalsContact OD2-CZ 3.26Å; D258-Y383 PolarHBondContact OD2-OH 3.44Å
259R88.3Confident84.7Confident54 Ų5426.4 Ų26.420%0.20412%0.12CC..Hα-helixtrans-60.2-52.2175.4-80.5-178173.4154.55.4111.9I154 I255 T256 R257 L261 E262 D263 E417I154-R259 HydrophobicContact CD1-CB 4.49Å; I255-R259 WeakPolarHBondContact O-CG 3.5Å; I255-R259 PolarHBondContact O-N 2.93Å; T256-R259 PolarHBondContact O-N 3.05Å; R257-R259 PolarHBondContact O-N 3.33Å; R259-L261 VanDerWaalsContact C-N 3.29Å; R259-L261 PolarHBondContact O-N 3.24Å; R259-E262 PolarHBondContact O-N 3.15Å; R259-D263 WeakPolarHBondContact O-CB 3.42Å; R259-D263 PolarHBondContact O-N 2.94Å; R259-E417 IonicContact CZ-OE1 3.24Å; R259-E417 IonicContact NH2-OE1 3.82Å; R259-E417 PolarHBondContact NH2-OE1 3.33Å
260V90.3Very high84.9Confident0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-63-38.9-176.7-179.80000110.7F138 L219 L241 T256 R257 S264F138-V260 HydrophobicContact CB-CG1 3.92Å; F138-V260 HydrophobicContact CD2-CG1 4.46Å; F138-V260 HydrophobicContact CD2-CG2 3.71Å; F138-V260 HydrophobicContact CE2-CG2 4.05Å; F138-V260 HydrophobicContact CG-CG1 4.17Å; F138-V260 HydrophobicContact CG-CG2 4.18Å; L219-V260 HydrophobicContact CD1-CG1 4.11Å; L219-V260 HydrophobicContact CD2-CG1 3.69Å; L219-V260 HydrophobicContact CG-CG1 4.48Å; L241-V260 HydrophobicContact CD1-CG1 4.32Å; L241-V260 HydrophobicContact CD2-CB 4.37Å; L241-V260 HydrophobicContact CD2-CG1 4.49Å; T256-V260 HydrophobicContact CG2-CG2 4.49Å; T256-V260 WeakPolarHBondContact O-CG2 3.4Å; T256-V260 PolarHBondContact O-N 2.79Å; R257-V260 PolarHBondContact O-N 3.3Å; V260-S264 WeakPolarHBondContact O-CB 3.31Å; V260-S264 PolarHBondContact O-N 3Å; V260-S264 PolarHBondContact O-OG 2.87Å
261L88.6Confident84.5Confident21 Ų2126.4 Ų26.411%0.1112%0.12CC..Hα-helixtrans-65.7-47.9175.7-70.1172.2000112.2E10 L13 L219 L241 R257 R259 D263 S264 L265E10-L261 HydrophobicContact CG-CD1 4.01Å; L13-L261 HydrophobicContact CD2-CB 3.97Å; L13-L261 HydrophobicContact CD2-CD1 4.25Å; L219-L261 HydrophobicContact CD2-CD2 4.22Å; L241-L261 HydrophobicContact CD2-CD1 4.19Å; L241-L261 HydrophobicContact CD2-CD2 3.77Å; L241-L261 HydrophobicContact CD2-CG 3.61Å; R257-L261 HydrophobicContact CG-CD1 3.81Å; R257-L261 HydrophobicContact CG-CG 4.47Å; R257-L261 VanDerWaalsContact O-CG 3.3Å; R257-L261 WeakPolarHBondContact O-CG 3.38Å; R257-L261 PolarHBondContact O-N 3.03Å; R259-L261 VanDerWaalsContact C-N 3.29Å; R259-L261 PolarHBondContact O-N 3.24Å; L261-D263 PolarHBondContact O-N 2.77Å; L261-S264 WeakPolarHBondContact O-CB 3.4Å; L261-S264 PolarHBondContact O-N 2.81Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 3.32Å
262E88.3Confident83.1Confident18 Ų1828.2 Ų28.28%0.08413%0.133CC..Hα-helixtrans-57.1-48.6177.1-178.1-179.317900111.3V17 D258 R259 S264 L265 R266 R380V17-E262 HydrophobicContact CG2-CB 4.41Å; V17-E262 HydrophobicContact CG2-CG 4Å; D258-E262 VanDerWaalsContact O-CB 3.25Å; D258-E262 WeakPolarHBondContact O-CB 3.49Å; D258-E262 PolarHBondContact O-N 2.73Å; R259-E262 PolarHBondContact O-N 3.15Å; E262-S264 VanDerWaalsContact C-N 3.32Å; E262-S264 PolarHBondContact O-N 3.13Å; E262-L265 PolarHBondContact O-N 2.94Å; E262-R266 WeakPolarHBondContact O-CB 3.46Å; E262-R266 WeakPolarHBondContact O-CG 3.35Å; E262-R266 PolarHBondContact O-N 3.19Å; E262-R266 IonicContact OE1-CZ 2.88Å; E262-R266 IonicContact OE1-NH1 2.7Å; E262-R266 PolarHBondContact OE1-NH1 3.02Å; E262-R266 IonicContact OE1-NH2 3.79Å; E262-R266 PolarHBondContact OE1-NH2 3.41Å; E262-R380 IonicContact OE2-CZ 3.27Å; E262-R380 IonicContact OE2-NH1 3.79Å; E262-R380 PolarHBondContact OE2-NH1 3.36Å
263D90.7Very high81.7Confident35 Ų3526.5 Ų26.519%0.18713%0.134CC..Hα-helixtrans-65.7-35.4179.3-70-23.5000111.8H152 R259 L261 R266 L267 A319 F320H152-D263 IonicContact CE1-OD2 3.78Å; H152-D263 IonicContact NE2-OD2 3.89Å; H152-D263 PolarHBondContact NE2-OD2 2.79Å; R259-D263 WeakPolarHBondContact O-CB 3.42Å; R259-D263 PolarHBondContact O-N 2.94Å; L261-D263 PolarHBondContact O-N 2.77Å; D263-R266 PolarHBondContact O-N 3.01Å; D263-L267 PolarHBondContact O-N 2.82Å; D263-A319 HydrophobicContact CB-CB 4.4Å; D263-F320 HydrophobicContact CB-CE2 4.04Å
264S90.7Very high80.2Confident4 Ų428.7 Ų28.73%0.02814%0.143CC..Hα-helixtrans-63.1-48.5176.3-61.10000111V260 L261 E262 R266 L267 L268 F320V260-S264 WeakPolarHBondContact O-CB 3.31Å; V260-S264 PolarHBondContact O-N 3Å; V260-S264 PolarHBondContact O-OG 2.87Å; L261-S264 WeakPolarHBondContact O-CB 3.4Å; L261-S264 PolarHBondContact O-N 2.81Å; E262-S264 VanDerWaalsContact C-N 3.32Å; E262-S264 PolarHBondContact O-N 3.13Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 2.83Å; S264-L267 PolarHBondContact O-N 2.77Å; S264-L268 WeakPolarHBondContact O-CB 3.25Å; S264-L268 WeakPolarHBondContact O-CD1 3.46Å; S264-L268 WeakPolarHBondContact O-CG 3.49Å; S264-L268 PolarHBondContact O-N 3.05Å; S264-L268 VanDerWaalsContact O-N 3.17Å; S264-F320 WeakPolarHBondContact OG-CZ 3.39Å
265L87.9Confident78.7Confident4 Ų432.3 Ų32.32%0.02116%0.163CC..Hα-helixtrans-65.7-38.7179.2-64.4175000111.5V17 L50 L261 E262 L267 L268 L269V17-L265 HydrophobicContact CB-CD1 4.32Å; V17-L265 HydrophobicContact CG1-CB 4.07Å; V17-L265 HydrophobicContact CG1-CD1 4.02Å; L50-L265 HydrophobicContact CD1-CD2 4.12Å; L50-L265 HydrophobicContact CD2-CD2 4.44Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 3.32Å; E262-L265 PolarHBondContact O-N 2.94Å; L265-L267 VanDerWaalsContact C-N 3.3Å; L265-L267 PolarHBondContact O-N 2.79Å; L265-L268 PolarHBondContact O-N 3.34Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-L269 HydrophobicContact CB-CD1 4.04Å; L265-L269 HydrophobicContact CD2-CD1 4.14Å; L265-L269 WeakPolarHBondContact O-CB 3.13Å; L265-L269 WeakPolarHBondContact O-CG 3.28Å; L265-L269 PolarHBondContact O-N 2.69Å
266R86.9Confident77.2Confident107 Ų10738 Ų3840%0.40419%0.189SC..Hα-helixtrans-62.5-33.3174.5-78.5-174.2175.1143.110.1113.7M21 E262 D263 S264 P270M21-R266 HydrophobicContact CE-CB 4.5Å; M21-R266 HydrophobicContact CE-CG 4.11Å; E262-R266 WeakPolarHBondContact O-CB 3.46Å; E262-R266 WeakPolarHBondContact O-CG 3.35Å; E262-R266 PolarHBondContact O-N 3.19Å; E262-R266 IonicContact OE1-CZ 2.88Å; E262-R266 IonicContact OE1-NH1 2.7Å; E262-R266 PolarHBondContact OE1-NH1 3.02Å; E262-R266 IonicContact OE1-NH2 3.79Å; E262-R266 PolarHBondContact OE1-NH2 3.41Å; D263-R266 PolarHBondContact O-N 3.01Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 2.83Å; R266-P270 WeakPolarHBondContact O-CD 3.43Å; R266-P270 WeakPolarHBondContact O-CG 3.34Å
267L87.9Confident75.7Confident4 Ų438.3 Ų38.32%0.02119%0.192CC..Hα-helixtrans-74.9-29174.6-177.560.4000112.7L140 F150 D263 S264 L265 L271 Q313 F320L140-L267 HydrophobicContact CD2-CD2 3.88Å; F150-L267 HydrophobicContact CD1-CD2 4.46Å; F150-L267 HydrophobicContact CD2-CD2 4.5Å; F150-L267 HydrophobicContact CG-CD2 4.34Å; D263-L267 PolarHBondContact O-N 2.82Å; S264-L267 PolarHBondContact O-N 2.77Å; L265-L267 VanDerWaalsContact C-N 3.3Å; L265-L267 PolarHBondContact O-N 2.79Å; L267-L271 WeakPolarHBondContact O-CD1 3.31Å; L267-Q313 HydrophobicContact CD1-CB 4.09Å; L267-Q313 HydrophobicContact CD1-CG 4.24Å; L267-Q313 HydrophobicContact CG-CG 4.49Å; L267-F320 HydrophobicContact CD2-CB 3.81Å; L267-F320 HydrophobicContact CD2-CD2 3.86Å; L267-F320 HydrophobicContact CD2-CG 3.91Å
268L86Confident74.2Confident1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-98-31.9-168.7-68.7168.8000115.7M72 L140 T142 F217 S264 L265 L271 R309M72-L268 HydrophobicContact SD-CB 4.47Å; L140-L268 HydrophobicContact CD1-CD1 4.18Å; L140-L268 HydrophobicContact CD2-CD1 4.21Å; L140-L268 HydrophobicContact CD2-CD2 4.22Å; L140-L268 HydrophobicContact CD2-CG 4.16Å; T142-L268 HydrophobicContact CG2-CD2 3.79Å; F217-L268 HydrophobicContact CB-CD1 4.13Å; F217-L268 HydrophobicContact CB-CD2 4.26Å; F217-L268 HydrophobicContact CD1-CD1 3.74Å; F217-L268 HydrophobicContact CD2-CD1 3.33Å; F217-L268 HydrophobicContact CE1-CD1 3.85Å; F217-L268 HydrophobicContact CE2-CD1 3.44Å; F217-L268 VanDerWaalsContact CE2-CD1 3.44Å; F217-L268 HydrophobicContact CG-CD1 3.46Å; F217-L268 VanDerWaalsContact CG-CD1 3.46Å; F217-L268 HydrophobicContact CG-CD2 4.38Å; F217-L268 HydrophobicContact CZ-CD1 3.69Å; S264-L268 WeakPolarHBondContact O-CB 3.25Å; S264-L268 WeakPolarHBondContact O-CD1 3.46Å; S264-L268 WeakPolarHBondContact O-CG 3.49Å; S264-L268 PolarHBondContact O-N 3.05Å; S264-L268 VanDerWaalsContact O-N 3.17Å; L265-L268 PolarHBondContact O-N 3.34Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L268-L271 WeakPolarHBondContact O-CD1 3.12Å; L268-R309 PolarHBondContact O-NH2 2.98Å
269L79.1Confident72.9Confident8 Ų847.6 Ų47.64%0.04223%0.229CC..SBendtrans-96.3-24.3-167-60.9-178.4000117.3L18 M21 Y23 L48 M72 L265 L271L18-L269 HydrophobicContact CD2-CD1 3.31Å; M21-L269 HydrophobicContact CE-CB 3.98Å; M21-L269 HydrophobicContact SD-CB 3.88Å; M21-L269 HydrophobicContact SD-CD1 3.75Å; M21-L269 HydrophobicContact SD-CG 4.42Å; Y23-L269 HydrophobicContact CE2-CB 4.26Å; Y23-L269 HydrophobicContact CE2-CD1 4.35Å; Y23-L269 PolarHBondContact OH-O 3.43Å; L48-L269 HydrophobicContact CD1-CD2 4.23Å; L48-L269 HydrophobicContact CD2-CD1 4.1Å; L48-L269 HydrophobicContact CD2-CD2 3.81Å; M72-L269 HydrophobicContact CE-CD2 4.36Å; M72-L269 HydrophobicContact SD-CD2 3.82Å; L265-L269 HydrophobicContact CB-CD1 4.04Å; L265-L269 HydrophobicContact CD2-CD1 4.14Å; L265-L269 WeakPolarHBondContact O-CB 3.13Å; L265-L269 WeakPolarHBondContact O-CG 3.28Å; L265-L269 PolarHBondContact O-N 2.69Å; L269-L271 PolarHBondContact O-N 3.04Å
270P66.1Low71.4Confident66 Ų6647.4 Ų47.443%0.42924%0.239SC..SBendtrans-64.7-1174.4-23.234.7000114.5M21 R266 M316M21-P270 HydrophobicContact CE-CG 3.85Å; R266-P270 WeakPolarHBondContact O-CD 3.43Å; R266-P270 WeakPolarHBondContact O-CG 3.34Å; P270-M316 HydrophobicContact CB-CE 4.24Å; P270-M316 HydrophobicContact CG-CE 4.2Å
271L62.4Low69.9Low14 Ų1448.4 Ų48.47%0.07325%0.245CC..SBendtrans-85.3132.7-174-69.894.9000110.6L267 L268 L269 T273 R309 L312 Q313L267-L271 WeakPolarHBondContact O-CD1 3.31Å; L268-L271 WeakPolarHBondContact O-CD1 3.12Å; L269-L271 PolarHBondContact O-N 3.04Å; L271-T273 PolarHBondContact O-N 3.03Å; L271-R309 HydrophobicContact CD2-CB 4.02Å; L271-R309 HydrophobicContact CD2-CG 3.29Å; L271-R309 WeakPolarHBondContact CD2-O 3.28Å; L271-R309 HydrophobicContact CG-CG 4.49Å; L271-L312 HydrophobicContact CD2-CB 3.64Å; L271-L312 HydrophobicContact CD2-CD1 4.13Å; L271-L312 HydrophobicContact CG-CB 4.12Å; L271-L312 HydrophobicContact CG-CD1 4.26Å; L271-Q313 HydrophobicContact CD1-CG 4.32Å; L271-Q313 HydrophobicContact CD2-CG 3.98Å
272P54.4Low68.5Low48 Ų4851.9 Ų51.931%0.31226%0.26SS..PPolyproline II helixtrans-55.9135.9-170.118.1-28.7000111.5Q276 T277 L312P272-Q276 HydrophobicContact CB-CB 3.96Å; P272-T277 WeakPolarHBondContact CB-OG1 3.44Å; P272-T277 PolarHBondContact O-OG1 3.13Å; P272-L312 HydrophobicContact CG-CD1 4.11Å
273T54.6Low67.3Low68 Ų6855.1 Ų55.142%0.41728%0.281SS..PPolyproline II helixtrans-58.9150175.754.20000109.9L271 L275 Q276 T277L271-T273 PolarHBondContact O-N 3.03Å; T273-L275 PolarHBondContact O-N 3.28Å; T273-Q276 PolarHBondContact O-N 3.29Å; T273-T277 PolarHBondContact O-N 3.16Å; T273-T277 VanDerWaalsContact O-N 3.15Å; T273-T277 PolarHBondContact O-OG1 3.38Å
274H50.6Low65.8Low50 Ų5056.7 Ų56.723%0.23129%0.289CS..Hα-helixtrans-43.2-36.6-177.8-172.4-87.7000113.6H70 H278 H301H70-H274 HydrophobicContact CB-CB 3.44Å; H70-H274 VanDerWaalsContact CB-CB 3.44Å; H274-H278 VanDerWaalsContact O-CB 3.31Å; H274-H278 WeakPolarHBondContact O-CB 3.45Å; H274-H278 PolarHBondContact O-N 3.2Å; H274-H301 AromaticContact NE2-NE2 3.8Å
275L52.8Low64.3Low119 Ų11964.7 Ų64.762%0.62332%0.319SS*.Hα-helixtrans-68.1-42177.4-110.4125.9000114.9T273 T277 R279T273-L275 PolarHBondContact O-N 3.28Å; L275-T277 VanDerWaalsContact C-N 3.33Å; L275-R279 PolarHBondContact O-N 3.31Å
276Q54.7Low63Low126 Ų12675.2 Ų75.259%0.58936%0.358SS*.Hα-helixtrans-68.9-39.5176.9-72.5178.2-18.700110.3P272 T273 R279 A280P272-Q276 HydrophobicContact CB-CB 3.96Å; T273-Q276 PolarHBondContact O-N 3.29Å; Q276-R279 PolarHBondContact O-N 2.79Å; Q276-A280 PolarHBondContact O-N 3.41Å
277T55.1Low61.5Low8 Ų876.2 Ų76.25%0.04937%0.367CS..Hα-helixtrans-69.4-37.9178.9-43.20000111.9P272 T273 L275 R279 A280 L281 L305 L308P272-T277 WeakPolarHBondContact CB-OG1 3.44Å; P272-T277 PolarHBondContact O-OG1 3.13Å; T273-T277 PolarHBondContact O-N 3.16Å; T273-T277 VanDerWaalsContact O-N 3.15Å; T273-T277 PolarHBondContact O-OG1 3.38Å; L275-T277 VanDerWaalsContact C-N 3.33Å; T277-R279 PolarHBondContact O-N 2.85Å; T277-A280 PolarHBondContact O-N 3.5Å; T277-L281 HydrophobicContact CG2-CD1 4.13Å; T277-L281 WeakPolarHBondContact O-CB 3.36Å; T277-L281 PolarHBondContact O-N 3.01Å; T277-L305 HydrophobicContact CG2-CD2 3.19Å; T277-L308 HydrophobicContact CG2-CD2 3.4Å
278H55.8Low60Low75 Ų7584.2 Ų84.235%0.34740%0.399SS..Hα-helixtrans-57.7-45.8174.3-173.2-86.6000112.3H274 L281 E282 H301H274-H278 VanDerWaalsContact O-CB 3.31Å; H274-H278 WeakPolarHBondContact O-CB 3.45Å; H274-H278 PolarHBondContact O-N 3.2Å; H278-L281 WeakPolarHBondContact O-CB 3.49Å; H278-L281 PolarHBondContact O-N 3.39Å; H278-E282 IonicContact CE1-OE1 3.88Å; H278-E282 PolarHBondContact CE1-OE1 2.98Å; H278-E282 IonicContact CE1-OE2 2.65Å; H278-E282 IonicContact ND1-OE1 3.73Å; H278-E282 IonicContact ND1-OE2 3.63Å; H278-E282 WeakPolarHBondContact O-CG 3.48Å; H278-E282 PolarHBondContact O-N 3.24Å; H278-H301 AromaticContact CD2-CE1 3.89Å
279R59.1Low58.5Low170 Ų17086.5 Ų86.564%0.64242%0.423SS*.Hα-helixtrans-64.7-41.5177.4-71.2-178.6179.8167.91.1112.4L275 Q276 T277 L281 E282 T283L275-R279 PolarHBondContact O-N 3.31Å; Q276-R279 PolarHBondContact O-N 2.79Å; T277-R279 PolarHBondContact O-N 2.85Å; R279-L281 VanDerWaalsContact C-N 3.33Å; R279-E282 PolarHBondContact O-N 2.79Å; R279-T283 PolarHBondContact O-N 3.25Å; R279-T283 VanDerWaalsContact O-N 3.11Å; R279-T283 PolarHBondContact O-OG1 3.34Å
280A58.3Low57.4Low50 Ų5088.5 Ų88.541%0.41345%0.445SS..Hα-helixtrans-63.8-40.8175.400000111.5Q276 T277 T283 L284Q276-A280 PolarHBondContact O-N 3.41Å; T277-A280 PolarHBondContact O-N 3.5Å; A280-T283 PolarHBondContact O-N 3.33Å; A280-L284 WeakPolarHBondContact O-CG 3.44Å; A280-L284 PolarHBondContact O-N 3.37Å
281L57.2Low57Low21 Ų2189.7 Ų89.711%0.1145%0.454CS..Hα-helixtrans-64.1-44.7175.4-116.4129.3000112.8T277 H278 R279 T283 L284 R285 F304 L305T277-L281 HydrophobicContact CG2-CD1 4.13Å; T277-L281 WeakPolarHBondContact O-CB 3.36Å; T277-L281 PolarHBondContact O-N 3.01Å; H278-L281 WeakPolarHBondContact O-CB 3.49Å; H278-L281 PolarHBondContact O-N 3.39Å; R279-L281 VanDerWaalsContact C-N 3.33Å; L281-T283 PolarHBondContact O-N 2.88Å; L281-L284 PolarHBondContact O-N 3.29Å; L281-R285 WeakPolarHBondContact O-CB 3.34Å; L281-R285 PolarHBondContact O-N 2.89Å; L281-F304 HydrophobicContact CD1-CB 4.42Å; L281-F304 HydrophobicContact CD1-CD1 3.14Å; L281-F304 HydrophobicContact CD1-CE1 3.53Å; L281-F304 HydrophobicContact CD1-CG 3.99Å; L281-F304 HydrophobicContact CD2-CB 4.34Å; L281-F304 HydrophobicContact CD2-CD1 4Å; L281-F304 HydrophobicContact CD2-CE1 4.46Å; L281-F304 HydrophobicContact CD2-CG 4.08Å; L281-F304 HydrophobicContact CG-CD1 3.53Å; L281-F304 HydrophobicContact CG-CE1 3.65Å; L281-F304 HydrophobicContact CG-CG 4.12Å; L281-F304 HydrophobicContact CG-CZ 4.35Å; L281-L305 HydrophobicContact CD1-CD2 3.85Å; L281-L305 HydrophobicContact CD1-CG 4.47Å
282E60.9Low56.6Low94 Ų94101.1 Ų101.144%0.43950%0.496SS..Hα-helixtrans-61.2-38.2176.6-77.9-176.9140.700111.4H278 R279 R286H278-E282 IonicContact CE1-OE1 3.88Å; H278-E282 PolarHBondContact CE1-OE1 2.98Å; H278-E282 IonicContact CE1-OE2 2.65Å; H278-E282 IonicContact ND1-OE1 3.73Å; H278-E282 IonicContact ND1-OE2 3.63Å; H278-E282 WeakPolarHBondContact O-CG 3.48Å; H278-E282 PolarHBondContact O-N 3.24Å; R279-E282 PolarHBondContact O-N 2.79Å; E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 VanDerWaalsContact O-CG 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.38Å; E282-R286 PolarHBondContact O-N 2.88Å
283T62.3Low56.5Low86 Ų86101.5 Ų101.553%0.52851%0.508SS..Hα-helixtrans-66.6-47.4177.3-510000111.1R279 A280 L281 R285 R286 Q287R279-T283 PolarHBondContact O-N 3.25Å; R279-T283 VanDerWaalsContact O-N 3.11Å; R279-T283 PolarHBondContact O-OG1 3.34Å; A280-T283 PolarHBondContact O-N 3.33Å; L281-T283 PolarHBondContact O-N 2.88Å; T283-R285 PolarHBondContact O-N 3.35Å; T283-R286 PolarHBondContact O-N 2.99Å; T283-Q287 WeakPolarHBondContact O-CB 3.12Å; T283-Q287 PolarHBondContact O-N 3.08Å
284L58.6Low56.1Low67 Ų67105.1 Ų105.135%0.35153%0.531SS..Hα-helixtrans-64.1-39.8176.1-73.9167000112.4A280 L281 R286 Q287 Y288 F304A280-L284 WeakPolarHBondContact O-CG 3.44Å; A280-L284 PolarHBondContact O-N 3.37Å; L281-L284 PolarHBondContact O-N 3.29Å; L284-R286 VanDerWaalsContact C-N 3.31Å; L284-R286 PolarHBondContact O-N 3.43Å; L284-Q287 PolarHBondContact O-N 3.47Å; L284-Q287 VanDerWaalsContact O-N 3.14Å; L284-Y288 HydrophobicContact CD2-CD2 4.04Å; L284-Y288 HydrophobicContact CD2-CE2 3.63Å; L284-Y288 WeakPolarHBondContact O-CD2 3.42Å; L284-Y288 PolarHBondContact O-N 2.84Å; L284-F304 HydrophobicContact CD1-CZ 3.91Å
285R59.6Low56Low173 Ų173111 Ų11165%0.65356%0.558SS**Hα-helixtrans-66.9-32.3178.2-166.2175.3-175.4174.81.9112.1L281 T283 G289L281-R285 WeakPolarHBondContact O-CB 3.34Å; L281-R285 PolarHBondContact O-N 2.89Å; T283-R285 PolarHBondContact O-N 3.35Å; R285-G289 PolarHBondContact O-N 3.01Å
286R60.6Low55.9Low224 Ų224109.3 Ų109.385%0.84557%0.569SS**Hα-helixtrans-71.7-35170.3-77.3178.4175.3-176.70.5112.4E282 T283 L284E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 VanDerWaalsContact O-CG 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.38Å; E282-R286 PolarHBondContact O-N 2.88Å; T283-R286 PolarHBondContact O-N 2.99Å; L284-R286 VanDerWaalsContact C-N 3.31Å; L284-R286 PolarHBondContact O-N 3.43Å
287Q56.1Low55.9Low128 Ų128107.7 Ų107.760%0.59857%0.572SS**Hα-helixtrans-78.5-39.2-175.7-173.5174.8-4.200113.9T283 L284T283-Q287 WeakPolarHBondContact O-CB 3.12Å; T283-Q287 PolarHBondContact O-N 3.08Å; L284-Q287 PolarHBondContact O-N 3.47Å; L284-Q287 VanDerWaalsContact O-N 3.14Å
288Y56.1Low56.3Low173 Ų173110.9 Ų110.968%0.67859%0.593SS**Hα-helixtrans-105.32.1-173.7-65.8-78.4000114.3L284L284-Y288 HydrophobicContact CD2-CD2 4.04Å; L284-Y288 HydrophobicContact CD2-CE2 3.63Å; L284-Y288 WeakPolarHBondContact O-CD2 3.42Å; L284-Y288 PolarHBondContact O-N 2.84Å
289G53.3Low56.9Low49 Ų49110 Ų11051%0.50559%0.591SS.*  trans75.3153.8-176.500000113.2R285R285-G289 PolarHBondContact O-N 3.01Å
290G57.3Low57.5Low50 Ų50105.5 Ų105.552%0.51558%0.579SS.*  trans-76.3173.5174.800000113.2R292G290-R292 VanDerWaalsContact C-N 3.26Å; G290-R292 PolarHBondContact O-N 3.41Å
291C58.2Low58Low90 Ų90105.8 Ų105.861%0.60857%0.572SS**SBendtrans-64.972.5178.4-66.20000113.5C298C291-C298 HydrophobicContact CB-CB 3.61Å; C291-C298 WeakPolarHBondContact CB-SG 3.44Å; C291-C298 WeakPolarHBondContact SG-CB 3.39Å; C291-C298 CovalentContact SG-SG 2.02Å; C291-C298 PolarHBondContact SG-SG 3.12Å
292R53.9Low58.7Low254 Ų254107.9 Ų107.996%0.95858%0.584SS**  trans-115.458.4172.7-83.7-171.7172.6-170.1-1.3110.9G290G290-R292 VanDerWaalsContact C-N 3.26Å; G290-R292 PolarHBondContact O-N 3.41Å
293G51.7Low59.6Low56 Ų56106.5 Ų106.558%0.57758%0.577SS**SBendtrans-126.5152.3172.900000111.4H295G293-H295 PolarHBondContact O-N 3.31Å; G293-H295 VanDerWaalsContact O-N 3.13Å
294T45.8Very low60.2Low144 Ų144105.6 Ų105.688%0.88357%0.566SS**SBendtrans-711.5-172.740.10000115.7
295H48.9Very low60.9Low175 Ų175103.9 Ų103.981%0.8156%0.557SS**SBendtrans-111.696.1171.1-68.5-75.1000109.3G293 S297G293-H295 PolarHBondContact O-N 3.31Å; G293-H295 VanDerWaalsContact O-N 3.13Å; H295-S297 VanDerWaalsContact C-N 3.29Å; H295-S297 PolarHBondContact O-N 3.4Å
296G49.6Very low61.9Low82 Ų8296.6 Ų96.685%0.84553%0.53SS*.  trans-69.752.2-165.100000118.3
297S55.5Low63Low93 Ų9386.8 Ų86.865%0.6549%0.494SS*.  trans-121.686.4176.1-51.70000111.6H295H295-S297 VanDerWaalsContact C-N 3.29Å; H295-S297 PolarHBondContact O-N 3.4Å
298C63Low64Low74 Ų7483.1 Ų83.150%0.548%0.478SS..PPolyproline II helixtrans-92.8133177.1-166.70000110.7C291C291-C298 HydrophobicContact CB-CB 3.61Å; C291-C298 WeakPolarHBondContact CB-SG 3.44Å; C291-C298 WeakPolarHBondContact SG-CB 3.39Å; C291-C298 CovalentContact SG-SG 2.02Å; C291-C298 PolarHBondContact SG-SG 3.12Å
299L69.1Low65.2Low58 Ų5876.7 Ų76.730%0.30445%0.453SS..PPolyproline II helixtrans-70.4134.2170-64.1172.1000109.4H303 L307 L337 L341L299-H303 HydrophobicContact CB-CB 4.16Å; L299-H303 HydrophobicContact CD2-CB 4.03Å; L299-L307 HydrophobicContact CD1-CD1 3.79Å; L299-L337 HydrophobicContact CD2-CD2 4.19Å; L299-L337 HydrophobicContact CD2-CG 4.47Å; L299-L341 HydrophobicContact CD1-CD1 3.69Å; L299-L341 HydrophobicContact CD2-CD1 3.96Å; L299-L341 HydrophobicContact CG-CD1 4.34Å
300N70.8Confident66.8Low74 Ų7474.4 Ų74.440%0.39643%0.429SS..PPolyproline II helixtrans-74.8171.1170.568.817.4000110.4D302 H303 F304N300-D302 VanDerWaalsContact C-N 3.28Å; N300-D302 PolarHBondContact O-N 3.38Å; N300-D302 PolarHBondContact OD1-N 3.13Å; N300-H303 PolarHBondContact O-N 2.74Å; N300-H303 VanDerWaalsContact OD1-CB 3.25Å; N300-H303 WeakPolarHBondContact OD1-CB 3.4Å; N300-H303 PolarHBondContact OD1-CD2 3.31Å; N300-H303 PolarHBondContact OD1-N 2.89Å; N300-H303 PolarHBondContact OD1-ND1 3.15Å; N300-F304 PolarHBondContact O-N 3.18Å
301H69.7Low68.1Low56 Ų5674.7 Ų74.726%0.25942%0.417SS..Hα-helixtrans-56.3-44.7-178.9-173.167.3000111.8H274 H278 H303 F304 L305H274-H301 AromaticContact NE2-NE2 3.8Å; H278-H301 AromaticContact CD2-CE1 3.89Å; H301-H303 PolarHBondContact O-N 3.29Å; H301-F304 PolarHBondContact O-N 2.95Å; H301-F304 VanDerWaalsContact O-N 3.14Å; H301-L305 WeakPolarHBondContact O-CG 3.39Å; H301-L305 PolarHBondContact O-N 3.38Å
302D72.6Confident69.3Low66 Ų6672.4 Ų72.435%0.35340%0.399SS..Hα-helixtrans-63.3-41-177.7-59.9-22.8000112.6L214 N300 F304 L305 F306L214-D302 HydrophobicContact CD1-CB 3.51Å; L214-D302 HydrophobicContact CD2-CB 4.25Å; N300-D302 VanDerWaalsContact C-N 3.28Å; N300-D302 PolarHBondContact O-N 3.38Å; N300-D302 PolarHBondContact OD1-N 3.13Å; D302-F304 VanDerWaalsContact C-N 3.31Å; D302-F304 PolarHBondContact O-N 2.85Å; D302-L305 PolarHBondContact O-N 2.89Å; D302-F306 VanDerWaalsContact O-CB 3.27Å; D302-F306 WeakPolarHBondContact O-CB 3.27Å; D302-F306 PolarHBondContact O-N 3.34Å
303H77.9Confident70.9Confident64 Ų6460.7 Ų60.730%0.29635%0.354SS..Hα-helixtrans-62.6-38.1174.9-69.4171.1000111.8L299 N300 H301 L307 L338L299-H303 HydrophobicContact CB-CB 4.16Å; L299-H303 HydrophobicContact CD2-CB 4.03Å; N300-H303 PolarHBondContact O-N 2.74Å; N300-H303 VanDerWaalsContact OD1-CB 3.25Å; N300-H303 WeakPolarHBondContact OD1-CB 3.4Å; N300-H303 PolarHBondContact OD1-CD2 3.31Å; N300-H303 PolarHBondContact OD1-N 2.89Å; N300-H303 PolarHBondContact OD1-ND1 3.15Å; H301-H303 PolarHBondContact O-N 3.29Å; H303-L307 VanDerWaalsContact O-CG 3.23Å; H303-L307 WeakPolarHBondContact O-CG 3.19Å; H303-L307 PolarHBondContact O-N 2.94Å; H303-L338 HydrophobicContact CB-CD1 4.06Å
304F75.5Confident72.6Confident67 Ų6759.9 Ų59.929%0.29434%0.337SS..Hα-helixtrans-69.8-46.2176.1-175-79.9000111.3L281 L284 N300 H301 D302 F306 L307 L308L281-F304 HydrophobicContact CD1-CB 4.42Å; L281-F304 HydrophobicContact CD1-CD1 3.14Å; L281-F304 HydrophobicContact CD1-CE1 3.53Å; L281-F304 HydrophobicContact CD1-CG 3.99Å; L281-F304 HydrophobicContact CD2-CB 4.34Å; L281-F304 HydrophobicContact CD2-CD1 4Å; L281-F304 HydrophobicContact CD2-CE1 4.46Å; L281-F304 HydrophobicContact CD2-CG 4.08Å; L281-F304 HydrophobicContact CG-CD1 3.53Å; L281-F304 HydrophobicContact CG-CE1 3.65Å; L281-F304 HydrophobicContact CG-CG 4.12Å; L281-F304 HydrophobicContact CG-CZ 4.35Å; L284-F304 HydrophobicContact CD1-CZ 3.91Å; N300-F304 PolarHBondContact O-N 3.18Å; H301-F304 PolarHBondContact O-N 2.95Å; H301-F304 VanDerWaalsContact O-N 3.14Å; D302-F304 VanDerWaalsContact C-N 3.31Å; D302-F304 PolarHBondContact O-N 2.85Å; F304-F306 PolarHBondContact O-N 3.04Å; F304-L307 PolarHBondContact O-N 3.31Å; F304-L308 HydrophobicContact CE1-CB 4.31Å; F304-L308 HydrophobicContact CE1-CD2 4.36Å; F304-L308 WeakPolarHBondContact O-CB 3.43Å; F304-L308 PolarHBondContact O-N 2.72Å
305L74.3Confident74.3Confident32 Ų3258.1 Ų58.117%0.16832%0.318CS..Hα-helixtrans-55.3-44.1175.6-69.2-178.6000110.7T277 L281 H301 D302 R309T277-L305 HydrophobicContact CG2-CD2 3.19Å; L281-L305 HydrophobicContact CD1-CD2 3.85Å; L281-L305 HydrophobicContact CD1-CG 4.47Å; H301-L305 WeakPolarHBondContact O-CG 3.39Å; H301-L305 PolarHBondContact O-N 3.38Å; D302-L305 PolarHBondContact O-N 2.89Å; L305-R309 WeakPolarHBondContact O-CB 3.29Å; L305-R309 PolarHBondContact O-N 3.47Å
306F80.1Confident75.7Confident20 Ų2053.5 Ų53.59%0.08830%0.298CS..Hα-helixtrans-58.7-50.5175.9-169.5-93.9000112.7S143 P146 T148 D302 F304 R309 F310 L338 L342S143-F306 VanDerWaalsContact CB-CE2 3.47Å; P146-F306 HydrophobicContact CG-CE1 3.91Å; P146-F306 HydrophobicContact CG-CZ 4.23Å; T148-F306 WeakPolarHBondContact OG1-CZ 3.44Å; D302-F306 VanDerWaalsContact O-CB 3.27Å; D302-F306 WeakPolarHBondContact O-CB 3.27Å; D302-F306 PolarHBondContact O-N 3.34Å; F304-F306 PolarHBondContact O-N 3.04Å; F306-R309 WeakPolarHBondContact O-CB 3.3Å; F306-R309 PolarHBondContact O-N 3.28Å; F306-F310 WeakPolarHBondContact O-CB 3.41Å; F306-F310 PolarHBondContact O-N 3.43Å; F306-L338 HydrophobicContact CD1-CD1 4.31Å; F306-L338 HydrophobicContact CD1-CD2 4.47Å; F306-L342 HydrophobicContact CD1-CD1 4.29Å; F306-L342 HydrophobicContact CD1-CD2 4.03Å; F306-L342 HydrophobicContact CE1-CD1 3.6Å; F306-L342 HydrophobicContact CE1-CD2 3.72Å; F306-L342 HydrophobicContact CE1-CG 4.24Å
307L82.6Confident77.2Confident17 Ų1755.7 Ų55.79%0.08930%0.298CS..Hα-helixtrans-64.4-42.7-179.9-72.7167.6000112.6L299 H303 F304 R309 F310 H311 L338 L341 L342 I345L299-L307 HydrophobicContact CD1-CD1 3.79Å; H303-L307 VanDerWaalsContact O-CG 3.23Å; H303-L307 WeakPolarHBondContact O-CG 3.19Å; H303-L307 PolarHBondContact O-N 2.94Å; F304-L307 PolarHBondContact O-N 3.31Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-F310 PolarHBondContact O-N 3.17Å; L307-H311 WeakPolarHBondContact O-CB 3.35Å; L307-H311 PolarHBondContact O-N 3.08Å; L307-L338 HydrophobicContact CD1-CD1 3.96Å; L307-L338 HydrophobicContact CD2-CD1 3.9Å; L307-L338 HydrophobicContact CG-CD1 3.71Å; L307-L341 HydrophobicContact CD1-CB 4.19Å; L307-L341 HydrophobicContact CD1-CD1 3.77Å; L307-L341 HydrophobicContact CD2-CB 3.74Å; L307-L342 HydrophobicContact CD2-CD2 3.68Å; L307-L342 HydrophobicContact CD2-CG 3.88Å; L307-I345 HydrophobicContact CB-CD1 4.36Å; L307-I345 HydrophobicContact CD2-CD1 3.8Å
308L78.6Confident78.5Confident51 Ų5153.5 Ų53.527%0.26728%0.282SS..Hα-helixtrans-62.3-43.2175.6178.966.1000110.5T277 F304 H311 L312T277-L308 HydrophobicContact CG2-CD2 3.4Å; F304-L308 HydrophobicContact CE1-CB 4.31Å; F304-L308 HydrophobicContact CE1-CD2 4.36Å; F304-L308 WeakPolarHBondContact O-CB 3.43Å; F304-L308 PolarHBondContact O-N 2.72Å; L308-H311 PolarHBondContact O-N 2.92Å; L308-L312 HydrophobicContact CD1-CD1 4.36Å; L308-L312 HydrophobicContact CD1-CG 4.33Å; L308-L312 HydrophobicContact CG-CD1 4.12Å; L308-L312 HydrophobicContact CG-CG 4.47Å; L308-L312 WeakPolarHBondContact O-CB 3.48Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 2.92Å
309R80.9Confident79.7Confident38 Ų3851.4 Ų51.414%0.14327%0.27CS..Hα-helixtrans-60.9-47.9179.4-165.3-175.6173.791.712.7111.1M72 L268 L271 L305 F306 L307 H311 L312 Q313M72-R309 VanDerWaalsContact CE-NH1 3.33Å; L268-R309 PolarHBondContact O-NH2 2.98Å; L271-R309 HydrophobicContact CD2-CB 4.02Å; L271-R309 HydrophobicContact CD2-CG 3.29Å; L271-R309 WeakPolarHBondContact CD2-O 3.28Å; L271-R309 HydrophobicContact CG-CG 4.49Å; L305-R309 WeakPolarHBondContact O-CB 3.29Å; L305-R309 PolarHBondContact O-N 3.47Å; F306-R309 WeakPolarHBondContact O-CB 3.3Å; F306-R309 PolarHBondContact O-N 3.28Å; L307-R309 VanDerWaalsContact C-N 3.31Å; R309-H311 PolarHBondContact O-N 3.3Å; R309-L312 PolarHBondContact O-N 3.33Å; R309-Q313 VanDerWaalsContact O-CG 3.32Å; R309-Q313 WeakPolarHBondContact O-CG 3.38Å; R309-Q313 PolarHBondContact O-N 2.05Å
310F86.4Confident80.8Confident2 Ų249.4 Ų49.41%0.00926%0.259CS..Hα-helixtrans-60.6-44.2175.6-177.4-112.3000112.4T148 F150 F306 L307 L312 Q313 L314 L322 P325 L342 I345T148-F310 HydrophobicContact CG2-CD2 3.64Å; T148-F310 HydrophobicContact CG2-CE2 3.7Å; F150-F310 HydrophobicContact CZ-CD2 4.43Å; F150-F310 HydrophobicContact CZ-CE2 4.34Å; F306-F310 WeakPolarHBondContact O-CB 3.41Å; F306-F310 PolarHBondContact O-N 3.43Å; L307-F310 PolarHBondContact O-N 3.17Å; F310-L312 PolarHBondContact O-N 3.36Å; F310-Q313 PolarHBondContact O-N 3.22Å; F310-L314 HydrophobicContact CD1-CD1 4.14Å; F310-L314 HydrophobicContact CE1-CD1 3.59Å; F310-L314 HydrophobicContact CE2-CD1 4.26Å; F310-L314 HydrophobicContact CE2-CG 4.46Å; F310-L314 HydrophobicContact CZ-CD1 3.68Å; F310-L314 HydrophobicContact CZ-CG 4.35Å; F310-L314 WeakPolarHBondContact O-CG 3.38Å; F310-L314 PolarHBondContact O-N 2.77Å; F310-L322 HydrophobicContact CE2-CD1 3.7Å; F310-L322 HydrophobicContact CZ-CD1 3.99Å; F310-L322 HydrophobicContact CZ-CD2 4.05Å; F310-P325 HydrophobicContact CZ-CG 4.12Å; F310-L342 HydrophobicContact CB-CD2 3.82Å; F310-L342 HydrophobicContact CD1-CB 4.49Å; F310-L342 HydrophobicContact CD1-CD2 3.35Å; F310-L342 HydrophobicContact CD2-CD2 4.32Å; F310-L342 HydrophobicContact CE1-CB 4.25Å; F310-L342 HydrophobicContact CE1-CD2 3.91Å; F310-L342 HydrophobicContact CG-CD2 3.57Å; F310-I345 HydrophobicContact CD1-CB 4.24Å; F310-I345 HydrophobicContact CD1-CG2 3.9Å; F310-I345 HydrophobicContact CE1-CB 4.21Å; F310-I345 HydrophobicContact CE1-CG2 4.03Å
311H85.2Confident81.8Confident55 Ų5547.6 Ų47.626%0.25525%0.248SC..Hα-helixtrans-59.8-46.2177.3176.572.1000112.3L307 L308 R309 L314 Q315 I345 H349L307-H311 WeakPolarHBondContact O-CB 3.35Å; L307-H311 PolarHBondContact O-N 3.08Å; L308-H311 PolarHBondContact O-N 2.92Å; R309-H311 PolarHBondContact O-N 3.3Å; H311-L314 PolarHBondContact O-N 3.31Å; H311-Q315 PolarHBondContact NE2-NE2 3.41Å; H311-Q315 PolarHBondContact O-N 3.18Å; H311-I345 HydrophobicContact CB-CG2 4.25Å; H311-H349 AromaticContact CE1-NE2 3.58Å; H311-H349 AromaticContact ND1-NE2 3.3Å; H311-H349 PolarHBondContact ND1-NE2 2.82Å
312L83.3Confident82.8Confident43 Ų4346.4 Ų46.423%0.22524%0.244CC..Hα-helixtrans-63.4-42.7177.5-73.3175.6000111.4L271 P272 L308 R309 F310 L314 Q315 M316L271-L312 HydrophobicContact CD2-CB 3.64Å; L271-L312 HydrophobicContact CD2-CD1 4.13Å; L271-L312 HydrophobicContact CG-CB 4.12Å; L271-L312 HydrophobicContact CG-CD1 4.26Å; P272-L312 HydrophobicContact CG-CD1 4.11Å; L308-L312 HydrophobicContact CD1-CD1 4.36Å; L308-L312 HydrophobicContact CD1-CG 4.33Å; L308-L312 HydrophobicContact CG-CD1 4.12Å; L308-L312 HydrophobicContact CG-CG 4.47Å; L308-L312 WeakPolarHBondContact O-CB 3.48Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 2.92Å; R309-L312 PolarHBondContact O-N 3.33Å; F310-L312 PolarHBondContact O-N 3.36Å; L312-L314 PolarHBondContact O-N 3.26Å; L312-Q315 PolarHBondContact O-N 3.45Å; L312-Q315 VanDerWaalsContact O-N 3.07Å; L312-M316 WeakPolarHBondContact O-CG 3.45Å; L312-M316 PolarHBondContact O-N 3.41Å
313Q86.9Confident83.7Confident7 Ų743.4 Ų43.43%0.03323%0.228CC..Hα-helixtrans-57.6-35.5176.1-76170.5-31.200112.8F150 L267 L271 R309 F310F150-Q313 HydrophobicContact CZ-CB 4.18Å; L267-Q313 HydrophobicContact CD1-CB 4.09Å; L267-Q313 HydrophobicContact CD1-CG 4.24Å; L267-Q313 HydrophobicContact CG-CG 4.49Å; L271-Q313 HydrophobicContact CD1-CG 4.32Å; L271-Q313 HydrophobicContact CD2-CG 3.98Å; R309-Q313 VanDerWaalsContact O-CG 3.32Å; R309-Q313 WeakPolarHBondContact O-CG 3.38Å; R309-Q313 PolarHBondContact O-N 2.05Å; F310-Q313 PolarHBondContact O-N 3.22Å
314L87.5Confident84.3Confident40 Ų4041.2 Ų41.221%0.20922%0.218CC..Hα-helixtrans-78.9-20.9177.6-64.6179.9000113.9F150 F310 H311 L312 L322 I345 H349F150-L314 HydrophobicContact CE1-CD2 4.13Å; F310-L314 HydrophobicContact CD1-CD1 4.14Å; F310-L314 HydrophobicContact CE1-CD1 3.59Å; F310-L314 HydrophobicContact CE2-CD1 4.26Å; F310-L314 HydrophobicContact CE2-CG 4.46Å; F310-L314 HydrophobicContact CZ-CD1 3.68Å; F310-L314 HydrophobicContact CZ-CG 4.35Å; F310-L314 WeakPolarHBondContact O-CG 3.38Å; F310-L314 PolarHBondContact O-N 2.77Å; H311-L314 PolarHBondContact O-N 3.31Å; L312-L314 PolarHBondContact O-N 3.26Å; L314-L322 HydrophobicContact CD1-CD2 4.44Å; L314-L322 HydrophobicContact CD2-CB 4.19Å; L314-L322 HydrophobicContact CD2-CD1 4.38Å; L314-L322 HydrophobicContact CD2-CD2 3.98Å; L314-L322 HydrophobicContact CD2-CG 4.42Å; L314-I345 HydrophobicContact CD1-CG2 4.11Å; L314-H349 HydrophobicContact CD1-CB 4.48Å
315Q83.1Confident84.8Confident106 Ų10638 Ų3850%0.49520%0.204SC..Hα-helixtrans-80-25.7174.2-76-176.4-33.900113.1H311 L312H311-Q315 PolarHBondContact NE2-NE2 3.41Å; H311-Q315 PolarHBondContact O-N 3.18Å; L312-Q315 PolarHBondContact O-N 3.45Å; L312-Q315 VanDerWaalsContact O-N 3.07Å
316M78Confident84.9Confident79 Ų7937.2 Ų37.239%0.38920%0.201SC..SBendtrans-76.1128.1-176.6-66.4-58.5-67.200111P270 L312 S318P270-M316 HydrophobicContact CB-CE 4.24Å; P270-M316 HydrophobicContact CG-CE 4.2Å; L312-M316 WeakPolarHBondContact O-CG 3.45Å; L312-M316 PolarHBondContact O-N 3.41Å; M316-S318 PolarHBondContact O-N 2.95Å; M316-S318 VanDerWaalsContact O-N 3.17Å
317P79.6Confident84.1Confident128 Ų12839 Ų3983%0.83122%0.215SC*.  trans-57.2121.9167.2-22.533.1000109.8
318S83.4Confident83Confident47 Ų4742.6 Ų42.633%0.32924%0.242SC..  trans-144.3151.7-173.8-171.40000111.7M316 F320M316-S318 PolarHBondContact O-N 2.95Å; M316-S318 VanDerWaalsContact O-N 3.17Å; S318-F320 PolarHBondContact O-N 3.12Å; S318-F320 PolarHBondContact OG-N 3.14Å
319A89.3Confident81.8Confident30 Ų3043.2 Ų43.225%0.24825%0.25CS..SBendtrans-75.40.916800000112.6D153 D263D153-A319 VanDerWaalsContact CB-O 3.23Å; D153-A319 WeakPolarHBondContact CB-O 3.46Å; D153-A319 PolarHBondContact N-O 3.31Å; D263-A319 HydrophobicContact CB-CB 4.4Å
320F91.9Very high80.3Confident16 Ų1644.6 Ų44.67%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-99.4132.6178.4-78.8-84.4000111.9L140 F150 L151 H152 L219 D263 S264 L267 S318L140-F320 HydrophobicContact CB-CD1 4.09Å; L140-F320 HydrophobicContact CB-CE1 3.55Å; L140-F320 HydrophobicContact CB-CZ 4.03Å; L140-F320 HydrophobicContact CD2-CE1 4.45Å; L140-F320 HydrophobicContact CD2-CZ 4.34Å; F150-F320 HydrophobicContact CB-CB 3.92Å; F150-F320 HydrophobicContact CB-CD1 3.82Å; F150-F320 HydrophobicContact CB-CG 4.22Å; L151-F320 CarbonylContact O-C 3.56Å; L151-F320 WeakPolarHBondContact O-CA 3.31Å; H152-F320 HydrophobicContact CB-CD1 4.03Å; H152-F320 HydrophobicContact CB-CE1 3.67Å; H152-F320 HydrophobicContact CB-CZ 4.12Å; H152-F320 AromaticContact CD2-CE1 3.91Å; H152-F320 AromaticContact CD2-CE2 3.56Å; H152-F320 AromaticContact CD2-CZ 3.5Å; H152-F320 VanDerWaalsContact CD2-CZ 3.5Å; H152-F320 WeakPolarHBondContact CD2-CZ 3.41Å; L219-F320 HydrophobicContact CD1-CZ 4.43Å; D263-F320 HydrophobicContact CB-CE2 4.04Å; S264-F320 WeakPolarHBondContact OG-CZ 3.39Å; L267-F320 HydrophobicContact CD2-CB 3.81Å; L267-F320 HydrophobicContact CD2-CD2 3.86Å; L267-F320 HydrophobicContact CD2-CG 3.91Å; S318-F320 PolarHBondContact O-N 3.12Å; S318-F320 PolarHBondContact OG-N 3.14Å
321H90.8Very high78.3Confident35 Ų3550.7 Ų50.716%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-98.4135.1171.8-57.1-80.3000109.8F150 L151 D153 R171 W187 L323F150-H321 CarbonylContact C-O 3.21Å; F150-H321 VanDerWaalsContact CA-O 3.25Å; F150-H321 WeakPolarHBondContact CA-O 3.47Å; L151-H321 PolarHBondContact N-O 3.32Å; L151-H321 PolarHBondContact O-N 3.42Å; D153-H321 IonicContact OD1-CD2 3.76Å; D153-H321 IonicContact OD1-CE1 2.73Å; D153-H321 IonicContact OD1-NE2 3.67Å; D153-H321 PolarHBondContact OD1-NE2 3.33Å; R171-H321 PolarHBondContact NH2-CE1 3.48Å; R171-H321 PolarHBondContact NH2-ND1 3.49Å; R171-H321 VanDerWaalsContact NH2-ND1 3.11Å; W187-H321 HydrophobicContact CH2-CB 3.97Å; W187-H321 HydrophobicContact CZ2-CB 4.1Å; H321-L323 PolarHBondContact O-N 2.98Å
322L92Very high76.8Confident31 Ų3154.5 Ų54.516%0.16233%0.33CS..EExtended strand (participates in β ladder)trans-59.7123.9174.4-179.165.4000110.7F150 Q191 F310 L314 P325F150-L322 HydrophobicContact CD1-CB 4.35Å; F150-L322 HydrophobicContact CD1-CD1 4.12Å; F150-L322 HydrophobicContact CE1-CB 4.43Å; F150-L322 HydrophobicContact CE1-CD1 3.75Å; F150-L322 HydrophobicContact CZ-CD1 4.18Å; Q191-L322 PolarHBondContact NE2-O 3.18Å; F310-L322 HydrophobicContact CE2-CD1 3.7Å; F310-L322 HydrophobicContact CZ-CD1 3.99Å; F310-L322 HydrophobicContact CZ-CD2 4.05Å; L314-L322 HydrophobicContact CD1-CD2 4.44Å; L314-L322 HydrophobicContact CD2-CB 4.19Å; L314-L322 HydrophobicContact CD2-CD1 4.38Å; L314-L322 HydrophobicContact CD2-CD2 3.98Å; L314-L322 HydrophobicContact CD2-CG 4.42Å; L322-P325 WeakPolarHBondContact CD2-O 3.46Å
323L90.9Very high75.4Confident3 Ų357.7 Ų57.72%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-93.8-49.4173-74.7-176.2000111.6V139 S149 L151 Q191 V194 V195 H321V139-L323 HydrophobicContact CG1-CD1 3.86Å; V139-L323 HydrophobicContact CG2-CD1 4.34Å; S149-L323 WeakPolarHBondContact O-CB 2.89Å; S149-L323 PolarHBondContact O-N 2.81Å; L151-L323 HydrophobicContact CB-CD1 3.78Å; L151-L323 HydrophobicContact CB-CD2 3.58Å; L151-L323 HydrophobicContact CB-CG 3.56Å; L151-L323 HydrophobicContact CD1-CD1 4.41Å; L151-L323 HydrophobicContact CD1-CD2 4.11Å; L151-L323 HydrophobicContact CG-CD2 4.46Å; Q191-L323 HydrophobicContact CB-CD2 4.22Å; Q191-L323 HydrophobicContact CG-CD2 3.74Å; V194-L323 HydrophobicContact CB-CD1 4.43Å; V194-L323 HydrophobicContact CG1-CD1 3.74Å; V195-L323 HydrophobicContact CG2-CB 4.06Å; H321-L323 PolarHBondContact O-N 2.98Å
324H89.6Confident74.2Confident19 Ų1959.5 Ų59.59%0.08837%0.366CS..EExtended strand (participates in β ladder)trans-151.2141.1-177.9-168.675.9000110.1L147 T148 S149 V195L147-H324 PolarHBondContact O-CD2 3.29Å; T148-H324 WeakPolarHBondContact CA-O 3.38Å; S149-H324 PolarHBondContact N-O 3.43Å; S149-H324 PolarHBondContact O-N 2.75Å; V195-H324 HydrophobicContact CG1-CB 4.17Å; V195-H324 HydrophobicContact CG2-CB 4.04Å
325P87.1Confident73.1Confident0 Ų063.5 Ų63.50%039%0.394CS..SBendcis-75.9134.1-2.529.1-31.4000112.6F310 L322 L339 L342 L343 S346F310-P325 HydrophobicContact CZ-CG 4.12Å; L322-P325 WeakPolarHBondContact CD2-O 3.46Å; P325-L339 HydrophobicContact CB-CD1 3.95Å; P325-L339 HydrophobicContact CG-CD1 4.36Å; P325-L342 HydrophobicContact CG-CB 3.63Å; P325-L342 HydrophobicContact CG-CD1 4.4Å; P325-L343 HydrophobicContact CB-CD2 3.83Å; P325-L343 HydrophobicContact CB-CG 4.22Å; P325-S346 PolarHBondContact O-OG 2.75Å
326S75.2Confident72.8Confident15 Ų1561 Ų6111%0.10539%0.388CS..  trans-109.8139.8-177174.70000111.5S328 S329 L343S326-S328 PolarHBondContact O-N 2.85Å; S326-S328 VanDerWaalsContact O-N 3.07Å; S326-S328 PolarHBondContact OG-N 3.48Å; S326-S328 PolarHBondContact OG-OG 3.1Å; S326-S329 PolarHBondContact N-OG 3.43Å; S326-S329 WeakPolarHBondContact O-CB 3.27Å; S326-S329 PolarHBondContact O-N 2.82Å; S326-S329 PolarHBondContact O-OG 3.39Å; S326-L343 WeakPolarHBondContact O-CD2 3.46Å
327S64.2Low72.8Confident56 Ų5661 Ų6139%0.39239%0.39SS..THydrogen-bonded Turntrans-59.5-19.6177.762.70000114.2D350S327-D350 VanDerWaalsContact CB-OD2 3.25Å; S327-D350 WeakPolarHBondContact CB-OD2 3.35Å; S327-D350 PolarHBondContact OG-OD2 3.12Å
328S59.5Low72.8Confident94 Ų9455.6 Ų55.666%0.65735%0.354SS*.THydrogen-bonded Turntrans-89.71.717849.50000114.1S326S326-S328 PolarHBondContact O-N 2.85Å; S326-S328 VanDerWaalsContact O-N 3.07Å; S326-S328 PolarHBondContact OG-N 3.48Å; S326-S328 PolarHBondContact OG-OG 3.1Å
329S53.5Low72.8Confident63 Ų6354.6 Ų54.644%0.44135%0.345SS..SBendtrans-10519.2-167.664.50000116.9S326S326-S329 PolarHBondContact N-OG 3.43Å; S326-S329 WeakPolarHBondContact O-CB 3.27Å; S326-S329 PolarHBondContact O-N 2.82Å; S326-S329 PolarHBondContact O-OG 3.39Å
330S48.2Very low72.5Confident67 Ų6755.9 Ų55.947%0.46935%0.347SS..  trans-151.1115.3178.253.10000115.9
331S45.8Very low72.1Confident130 Ų13057.2 Ų57.291%0.90936%0.355SS*.SBendtrans-96.83.1155.450.20000112.7
332L53Low72Confident135 Ų13555.5 Ų55.571%0.70735%0.347SS*.SBendtrans-115.9150.3-179.5-74.9160.3000111.1
333P54.2Low71.8Confident111 Ų11155.1 Ų55.172%0.72135%0.345SS*.  trans-64.6136175.525.8-31.6000110.7
334P61.6Low71.5Confident45 Ų4562.9 Ų62.929%0.29237%0.374SS..  trans-67.7139.4-176.724-31000111.6S336 L339 L340 L343P334-S336 PolarHBondContact O-N 2.93Å; P334-L339 HydrophobicContact CB-CD2 4.44Å; P334-L339 HydrophobicContact CB-CG 4.35Å; P334-L340 HydrophobicContact CB-CB 4.4Å; P334-L340 HydrophobicContact CG-CB 3.73Å; P334-L340 HydrophobicContact CG-CD1 3.54Å; P334-L340 HydrophobicContact CG-CG 4.19Å; P334-L343 HydrophobicContact CB-CD1 4.22Å
335P64.8Low71.4Confident123 Ų12363.6 Ų63.680%0.79938%0.378SS*.SBendtrans-66.7-14.6-175.723.1-35.7000115.4L339P335-L339 HydrophobicContact CG-CD2 3.82Å
336S76.2Confident71.4Confident53 Ų5363.7 Ų63.737%0.37138%0.378SS..SBendtrans-146.4153.5179.577.10000113.4P334 L338 L339 L340P334-S336 PolarHBondContact O-N 2.93Å; S336-L338 PolarHBondContact O-N 3.37Å; S336-L339 PolarHBondContact O-N 2.92Å; S336-L339 WeakPolarHBondContact OG-CB 3.44Å; S336-L339 PolarHBondContact OG-N 2.82Å; S336-L340 PolarHBondContact O-N 2.89Å
337L77.6Confident71.9Confident79 Ų7970.7 Ų70.741%0.41440%0.403SS..Hα-helixtrans-57.7-37.9174.3177.762.9000111.8L299 L340 L341L299-L337 HydrophobicContact CD2-CD2 4.19Å; L299-L337 HydrophobicContact CD2-CG 4.47Å; L337-L340 HydrophobicContact CD1-CD2 4.4Å; L337-L340 WeakPolarHBondContact O-CB 3.31Å; L337-L340 PolarHBondContact O-N 3.2Å; L337-L341 HydrophobicContact CD1-CD1 4.48Å; L337-L341 HydrophobicContact CD1-CG 4.49Å; L337-L341 HydrophobicContact CG-CD1 4.26Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.49Å; L337-L341 PolarHBondContact O-N 3.06Å
338L80.8Confident73Confident16 Ų1672.7 Ų72.78%0.08441%0.405CS..Hα-helixtrans-64.4-46179-177.360.7000111.5P146 H303 F306 L307 S336 L340 L341 L342P146-L338 HydrophobicContact CG-CD2 3.96Å; P146-L338 HydrophobicContact CG-CG 4.12Å; H303-L338 HydrophobicContact CB-CD1 4.06Å; F306-L338 HydrophobicContact CD1-CD1 4.31Å; F306-L338 HydrophobicContact CD1-CD2 4.47Å; L307-L338 HydrophobicContact CD1-CD1 3.96Å; L307-L338 HydrophobicContact CD2-CD1 3.9Å; L307-L338 HydrophobicContact CG-CD1 3.71Å; S336-L338 PolarHBondContact O-N 3.37Å; L338-L340 PolarHBondContact O-N 2.86Å; L338-L341 PolarHBondContact O-N 2.89Å; L338-L342 WeakPolarHBondContact O-CG 3.23Å; L338-L342 PolarHBondContact O-N 2.66Å
339L82.4Confident74.1Confident25 Ų2569.4 Ų69.413%0.13138%0.38CS..Hα-helixtrans-65.8-37.4177-17758.9000112.2P146 P325 P334 P335 S336 L341 L342 L343P146-L339 HydrophobicContact CB-CD1 4.31Å; P325-L339 HydrophobicContact CB-CD1 3.95Å; P325-L339 HydrophobicContact CG-CD1 4.36Å; P334-L339 HydrophobicContact CB-CD2 4.44Å; P334-L339 HydrophobicContact CB-CG 4.35Å; P335-L339 HydrophobicContact CG-CD2 3.82Å; S336-L339 PolarHBondContact O-N 2.92Å; S336-L339 WeakPolarHBondContact OG-CB 3.44Å; S336-L339 PolarHBondContact OG-N 2.82Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.34Å; L339-L342 PolarHBondContact O-N 2.89Å; L339-L343 HydrophobicContact CG-CD1 4.41Å; L339-L343 WeakPolarHBondContact O-CG 3.45Å; L339-L343 PolarHBondContact O-N 2.9Å
340L83Confident75.4Confident57 Ų5769.8 Ų69.830%0.29838%0.377SS..Hα-helixtrans-58-43.5172.4179.570.2000111.6P334 S336 L337 L338 L343 R344P334-L340 HydrophobicContact CB-CB 4.4Å; P334-L340 HydrophobicContact CG-CB 3.73Å; P334-L340 HydrophobicContact CG-CD1 3.54Å; P334-L340 HydrophobicContact CG-CG 4.19Å; S336-L340 PolarHBondContact O-N 2.89Å; L337-L340 HydrophobicContact CD1-CD2 4.4Å; L337-L340 WeakPolarHBondContact O-CB 3.31Å; L337-L340 PolarHBondContact O-N 3.2Å; L338-L340 PolarHBondContact O-N 2.86Å; L340-L343 PolarHBondContact O-N 3.19Å; L340-R344 WeakPolarHBondContact O-CG 3.27Å; L340-R344 PolarHBondContact O-N 3.43Å; L340-R344 VanDerWaalsContact O-N 3.08Å
341L84.5Confident76.8Confident44 Ų4471 Ų7123%0.2338%0.378CS..Hα-helixtrans-67.6-40.5179.2-70.3170.2000111.9L299 L307 L337 L338 L339 R344 I345L299-L341 HydrophobicContact CD1-CD1 3.69Å; L299-L341 HydrophobicContact CD2-CD1 3.96Å; L299-L341 HydrophobicContact CG-CD1 4.34Å; L307-L341 HydrophobicContact CD1-CB 4.19Å; L307-L341 HydrophobicContact CD1-CD1 3.77Å; L307-L341 HydrophobicContact CD2-CB 3.74Å; L337-L341 HydrophobicContact CD1-CD1 4.48Å; L337-L341 HydrophobicContact CD1-CG 4.49Å; L337-L341 HydrophobicContact CG-CD1 4.26Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.49Å; L337-L341 PolarHBondContact O-N 3.06Å; L338-L341 PolarHBondContact O-N 2.89Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.34Å; L341-R344 WeakPolarHBondContact O-CB 3.47Å; L341-R344 PolarHBondContact O-N 3.31Å; L341-I345 WeakPolarHBondContact O-CG1 3.38Å; L341-I345 PolarHBondContact O-N 3.38Å
342L87.5Confident78.1Confident0 Ų068.8 Ų68.80%035%0.353CS..Hα-helixtrans-61.8-44.2175-65.8164000112.1P146 F306 L307 F310 P325 L338 L339 R344 I345 S346P146-L342 HydrophobicContact CB-CD1 4.18Å; P146-L342 HydrophobicContact CG-CD1 3.35Å; F306-L342 HydrophobicContact CD1-CD1 4.29Å; F306-L342 HydrophobicContact CD1-CD2 4.03Å; F306-L342 HydrophobicContact CE1-CD1 3.6Å; F306-L342 HydrophobicContact CE1-CD2 3.72Å; F306-L342 HydrophobicContact CE1-CG 4.24Å; L307-L342 HydrophobicContact CD2-CD2 3.68Å; L307-L342 HydrophobicContact CD2-CG 3.88Å; F310-L342 HydrophobicContact CB-CD2 3.82Å; F310-L342 HydrophobicContact CD1-CB 4.49Å; F310-L342 HydrophobicContact CD1-CD2 3.35Å; F310-L342 HydrophobicContact CD2-CD2 4.32Å; F310-L342 HydrophobicContact CE1-CB 4.25Å; F310-L342 HydrophobicContact CE1-CD2 3.91Å; F310-L342 HydrophobicContact CG-CD2 3.57Å; P325-L342 HydrophobicContact CG-CB 3.63Å; P325-L342 HydrophobicContact CG-CD1 4.4Å; L338-L342 WeakPolarHBondContact O-CG 3.23Å; L338-L342 PolarHBondContact O-N 2.66Å; L339-L342 PolarHBondContact O-N 2.89Å; L342-R344 VanDerWaalsContact C-N 3.29Å; L342-R344 PolarHBondContact O-N 2.99Å; L342-I345 PolarHBondContact O-N 3.44Å; L342-S346 PolarHBondContact O-N 2.98Å
343L87.3Confident78.7Confident23 Ų2366.4 Ų66.412%0.1235%0.348CS..Hα-helixtrans-60.7-38.1175.3-74.9168000112P325 S326 P334 L339 L340 R347P325-L343 HydrophobicContact CB-CD2 3.83Å; P325-L343 HydrophobicContact CB-CG 4.22Å; S326-L343 WeakPolarHBondContact O-CD2 3.46Å; P334-L343 HydrophobicContact CB-CD1 4.22Å; L339-L343 HydrophobicContact CG-CD1 4.41Å; L339-L343 WeakPolarHBondContact O-CG 3.45Å; L339-L343 PolarHBondContact O-N 2.9Å; L340-L343 PolarHBondContact O-N 3.19Å; L343-R347 WeakPolarHBondContact O-CB 3.43Å; L343-R347 PolarHBondContact O-N 3.4Å
344R86.1Confident78.9Confident165 Ų16565.8 Ų65.862%0.62334%0.342SS*.Hα-helixtrans-64.8-43.4174.3-76-178-179.4-1741.1112.1L340 L341 L342 R347 H348L340-R344 WeakPolarHBondContact O-CG 3.27Å; L340-R344 PolarHBondContact O-N 3.43Å; L340-R344 VanDerWaalsContact O-N 3.08Å; L341-R344 WeakPolarHBondContact O-CB 3.47Å; L341-R344 PolarHBondContact O-N 3.31Å; L342-R344 VanDerWaalsContact C-N 3.29Å; L342-R344 PolarHBondContact O-N 2.99Å; R344-R347 PolarHBondContact O-N 2.91Å; R344-H348 WeakPolarHBondContact O-CB 3.35Å; R344-H348 PolarHBondContact O-N 3.12Å
345I86.6Confident78.4Confident35 Ų3574.4 Ų74.418%0.17937%0.369CS..Hα-helixtrans-63.6-46.8177-66.6168.3000110.5L307 F310 H311 L314 L341 L342 R347 H348 H349L307-I345 HydrophobicContact CB-CD1 4.36Å; L307-I345 HydrophobicContact CD2-CD1 3.8Å; F310-I345 HydrophobicContact CD1-CB 4.24Å; F310-I345 HydrophobicContact CD1-CG2 3.9Å; F310-I345 HydrophobicContact CE1-CB 4.21Å; F310-I345 HydrophobicContact CE1-CG2 4.03Å; H311-I345 HydrophobicContact CB-CG2 4.25Å; L314-I345 HydrophobicContact CD1-CG2 4.11Å; L341-I345 WeakPolarHBondContact O-CG1 3.38Å; L341-I345 PolarHBondContact O-N 3.38Å; L342-I345 PolarHBondContact O-N 3.44Å; I345-R347 PolarHBondContact O-N 2.87Å; I345-H348 WeakPolarHBondContact O-CB 3.35Å; I345-H348 PolarHBondContact O-N 2.91Å; I345-H349 PolarHBondContact O-CD2 3.16Å; I345-H349 PolarHBondContact O-N 3.07Å; I345-H349 VanDerWaalsContact O-N 3.17Å
346S87.8Confident77.5Confident1 Ų176.1 Ų76.11%0.00737%0.366CS..Hα-helixtrans-57-49.8175.7161.30000111.3P325 L342 H348 H349 D350P325-S346 PolarHBondContact O-OG 2.75Å; L342-S346 PolarHBondContact O-N 2.98Å; S346-H348 VanDerWaalsContact C-N 3.29Å; S346-H348 PolarHBondContact O-N 2.71Å; S346-H349 PolarHBondContact O-N 2.92Å; S346-D350 PolarHBondContact O-N 3.23Å
347R85.6Confident75.7Confident163 Ų16377 Ų7762%0.61538%0.377SS*.Hα-helixtrans-61-36.8178.9-174179.2178.3-177.40.3112.7L343 R344 I345 L351L343-R347 WeakPolarHBondContact O-CB 3.43Å; L343-R347 PolarHBondContact O-N 3.4Å; R344-R347 PolarHBondContact O-N 2.91Å; I345-R347 PolarHBondContact O-N 2.87Å; R347-L351 HydrophobicContact CG-CD1 4.1Å; R347-L351 WeakPolarHBondContact O-CB 3.35Å; R347-L351 WeakPolarHBondContact O-CD1 3.32Å; R347-L351 VanDerWaalsContact O-CG 3.25Å; R347-L351 WeakPolarHBondContact O-CG 3.22Å; R347-L351 PolarHBondContact O-N 2.82Å
348H85.9Confident73.3Confident97 Ų9779.7 Ų79.745%0.44939%0.391SS..Hα-helixtrans-62.5-46.1177.3-178.273.4000111.6R344 I345 S346 L351 Q352R344-H348 WeakPolarHBondContact O-CB 3.35Å; R344-H348 PolarHBondContact O-N 3.12Å; I345-H348 WeakPolarHBondContact O-CB 3.35Å; I345-H348 PolarHBondContact O-N 2.91Å; S346-H348 VanDerWaalsContact C-N 3.29Å; S346-H348 PolarHBondContact O-N 2.71Å; H348-L351 PolarHBondContact O-N 2.72Å; H348-Q352 PolarHBondContact NE2-NE2 2.88Å; H348-Q352 WeakPolarHBondContact O-CG 3.31Å; H348-Q352 PolarHBondContact O-N 3.38Å
349H84Confident70.8Confident25 Ų2584 Ų8412%0.11642%0.421CS..Hα-helixtrans-68.1-39.8177.9-80.4-64000112.7H311 L314 I345 S346 L351 Q352 S353H311-H349 AromaticContact CE1-NE2 3.58Å; H311-H349 AromaticContact ND1-NE2 3.3Å; H311-H349 PolarHBondContact ND1-NE2 2.82Å; L314-H349 HydrophobicContact CD1-CB 4.48Å; I345-H349 PolarHBondContact O-CD2 3.16Å; I345-H349 PolarHBondContact O-N 3.07Å; I345-H349 VanDerWaalsContact O-N 3.17Å; S346-H349 PolarHBondContact O-N 2.92Å; H349-L351 VanDerWaalsContact C-N 3.28Å; H349-L351 PolarHBondContact O-N 3.17Å; H349-Q352 PolarHBondContact O-N 3.37Å; H349-S353 WeakPolarHBondContact O-CB 3.12Å; H349-S353 PolarHBondContact O-N 3.24Å
350D80.3Confident68.3Low71 Ų7188.5 Ų88.538%0.3845%0.451SS..Hα-helixtrans-58.7-40.6173.4-73-20.9000111.7S327 S346 T354S327-D350 VanDerWaalsContact CB-OD2 3.25Å; S327-D350 WeakPolarHBondContact CB-OD2 3.35Å; S327-D350 PolarHBondContact OG-OD2 3.12Å; S346-D350 PolarHBondContact O-N 3.23Å; D350-T354 PolarHBondContact O-N 3.16Å; D350-T354 VanDerWaalsContact O-N 3.16Å; D350-T354 PolarHBondContact O-OG1 3.05Å
351L78.4Confident65.5Low93 Ų9391.9 Ų91.949%0.48747%0.474SS..Hα-helixtrans-71.2-35.2177.5-74.7168.9000113R347 H348 H349 T354 R355R347-L351 HydrophobicContact CG-CD1 4.1Å; R347-L351 WeakPolarHBondContact O-CB 3.35Å; R347-L351 WeakPolarHBondContact O-CD1 3.32Å; R347-L351 VanDerWaalsContact O-CG 3.25Å; R347-L351 WeakPolarHBondContact O-CG 3.22Å; R347-L351 PolarHBondContact O-N 2.82Å; H348-L351 PolarHBondContact O-N 2.72Å; H349-L351 VanDerWaalsContact C-N 3.28Å; H349-L351 PolarHBondContact O-N 3.17Å; L351-T354 VanDerWaalsContact CA-OG1 3.28Å; L351-T354 WeakPolarHBondContact CA-OG1 3.3Å; L351-T354 PolarHBondContact O-OG1 3.22Å; L351-R355 PolarHBondContact O-N 2.96Å; L351-R355 VanDerWaalsContact O-N 3.09Å
352Q72.6Confident63Low84 Ų8497.5 Ų97.539%0.39351%0.505SS..Hα-helixtrans-68-45.4174.4-78.6-175.6-24.500111.1H348 H349 T354 R355 E356H348-Q352 PolarHBondContact NE2-NE2 2.88Å; H348-Q352 WeakPolarHBondContact O-CG 3.31Å; H348-Q352 PolarHBondContact O-N 3.38Å; H349-Q352 PolarHBondContact O-N 3.37Å; Q352-T354 PolarHBondContact O-N 2.85Å; Q352-R355 PolarHBondContact O-N 3.39Å; Q352-E356 PolarHBondContact O-N 3.06Å
353S65.1Low60.1Low85 Ų85106.1 Ų106.159%0.59455%0.545SS*.Hα-helixtrans-59.3-34.7176.1-176.60000112.6H349 A357H349-S353 WeakPolarHBondContact O-CB 3.12Å; H349-S353 PolarHBondContact O-N 3.24Å; S353-A357 PolarHBondContact O-N 3.27Å
354T59.8Low57.2Low98 Ų98113.8 Ų113.860%0.60158%0.58SS**Hα-helixtrans-77.3-25.4174.729.50000114.2D350 L351 Q352D350-T354 PolarHBondContact O-N 3.16Å; D350-T354 VanDerWaalsContact O-N 3.16Å; D350-T354 PolarHBondContact O-OG1 3.05Å; L351-T354 VanDerWaalsContact CA-OG1 3.28Å; L351-T354 WeakPolarHBondContact CA-OG1 3.3Å; L351-T354 PolarHBondContact O-OG1 3.22Å; Q352-T354 PolarHBondContact O-N 2.85Å
355R50.2Low54.3Low226 Ų226112.2 Ų112.285%0.85359%0.591SS**Hα-helixtrans-80.2-31.6175.3-86-177.2163.5-171.7-4.5113.5L351 Q352 A357L351-R355 PolarHBondContact O-N 2.96Å; L351-R355 VanDerWaalsContact O-N 3.09Å; Q352-R355 PolarHBondContact O-N 3.39Å; R355-A357 VanDerWaalsContact C-N 3.27Å
356E46.7Very low51.4Low158 Ų158113 Ų11374%0.73860%0.603SS**SBendtrans-81.3-7.6175.9-69.3-177.3168.100113.1Q352 N358Q352-E356 PolarHBondContact O-N 3.06Å; E356-N358 PolarHBondContact O-N 2.95Å
357A37.5Very low49Very low72 Ų72119.1 Ų119.160%0.59564%0.635SS**  trans-7275.9171.100000111.2S353 R355S353-A357 PolarHBondContact O-N 3.27Å; R355-A357 VanDerWaalsContact C-N 3.27Å
358N27.8Very low46.5Very low136 Ų136115 Ų11573%0.72764%0.642SS**  trans-51.6152.8157.4-83.2-40.3000110.1E356E356-N358 PolarHBondContact O-N 2.95Å
359P27.8Very low43.8Very low107 Ų107114.1 Ų114.170%0.69565%0.648SS**SBendtrans-52.3143.5176.923.6-33.3000109.5T361P359-T361 PolarHBondContact O-N 3.37Å
360P29.2Very low41.7Very low118 Ų118119.8 Ų119.877%0.76669%0.687SS**  trans-62.6100.4-171.526.4-32.7000108.7N362P360-N362 PolarHBondContact O-N 3.07Å
361T25.2Very low39.8Very low129 Ų129120 Ų12079%0.79171%0.706SS**  trans-65.2120.7152.1-5.80000103.9P359 Q363P359-T361 PolarHBondContact O-N 3.37Å; T361-Q363 PolarHBondContact O-N 2.73Å
362N30.9Very low38.9Very low162 Ų162117.9 Ų117.987%0.86671%0.706SS**SBendtrans-56.864.2-175.4-86.2-28.4000114P360P360-N362 PolarHBondContact O-N 3.07Å
363Q28.2Very low38.9Very low181 Ų181120.9 Ų120.985%0.84672%0.724SS**  trans-149.560.2173.7-65.3-168.37.100110T361T361-Q363 PolarHBondContact O-N 2.73Å
364Q25.9Very low39.8Very low183 Ų183117.2 Ų117.286%0.85570%0.699SS**  trans-68.9127.1143.1-84.4170.8-16.800106.3A366Q364-A366 PolarHBondContact O-N 3.28Å
365P25.1Very low41Very low133 Ų133119.9 Ų119.986%0.86471%0.708SS**  trans-68.692.3166.30.214.6000106.4L367P365-L367 PolarHBondContact O-N 2.92Å
366A25.8Very low42.8Very low51 Ų51110.9 Ų110.942%0.42168%0.677SS.*  trans-56.7118.2164.300000107Q364 G368 S369Q364-A366 PolarHBondContact O-N 3.28Å; A366-G368 PolarHBondContact O-N 3.21Å; A366-S369 PolarHBondContact O-N 2.8Å; A366-S369 VanDerWaalsContact O-N 3.15Å
367L36.7Very low44.9Very low130 Ų130104.7 Ų104.768%0.68165%0.65SS**THydrogen-bonded Turntrans-67.686.2159.9-165.175.4000106.4P365 A421P365-L367 PolarHBondContact O-N 2.92Å; L367-A421 HydrophobicContact CD1-CB 3.35Å
368G34.3Very low47.6Very low75 Ų75106.5 Ų106.577%0.77364%0.642SS**THydrogen-bonded Turntrans142.5-4.7-172.100000116.2A366A366-G368 PolarHBondContact O-N 3.21Å
369S28.9Very low50.6Low80 Ų80100 Ų10056%0.55961%0.607SS**  trans-96128.8167.3-78.40000110.8A366 G371A366-S369 PolarHBondContact O-N 2.8Å; A366-S369 VanDerWaalsContact O-N 3.15Å; S369-G371 PolarHBondContact O-N 2.88Å
370P38.3Very low53.5Low144 Ų14496.2 Ų96.294%0.93558%0.579SS**THydrogen-bonded Turntrans-7746.3-178.933.2-36.1000113
371G41.5Very low56.3Low76 Ų7691.5 Ų91.578%0.78455%0.547SS*.THydrogen-bonded Turntrans-139.314.3-168.700000116.6S369S369-G371 PolarHBondContact O-N 2.88Å
372G59.2Low59.4Low48 Ų4885.9 Ų85.950%0.49551%0.512SS..  trans-96.9140.4170.700000111.2
373L72.9Confident62.2Low146 Ų14678.4 Ų78.476%0.76447%0.472SS*.  trans-73.1138.5173.8-68.7167.8000110.4L375L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 HydrophobicContact CB-CD2 4.12Å; L373-L375 PolarHBondContact O-N 3.15Å
374C84.3Confident65.3Low9 Ų970.5 Ų70.56%0.06144%0.436CS..  trans-69.484.9170.9173.60000110C423 M462C374-C423 HydrophobicContact CB-CB 4Å; C374-C423 WeakPolarHBondContact CB-SG 3.35Å; C374-C423 WeakPolarHBondContact SG-CB 3.39Å; C374-C423 CovalentContact SG-SG 2.03Å; C374-C423 PolarHBondContact SG-SG 3.2Å; C374-M462 HydrophobicContact CB-SD 3.86Å; C374-M462 WeakPolarHBondContact O-CE 3.49Å
375L84.3Confident68.3Low153 Ų15366.1 Ų66.180%0.80142%0.416SS*.  trans-72.8-31.2-175.2-63177.8000113.9L373L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 HydrophobicContact CB-CD2 4.12Å; L373-L375 PolarHBondContact O-N 3.15Å
376D88.3Confident71.4Confident37 Ų3762.5 Ų62.520%0.19839%0.392CS..  trans-127.298.2178-169.6-16.1000109.8R378 I419 C423D376-R378 PolarHBondContact O-N 2.69Å; D376-R378 VanDerWaalsContact O-N 3.09Å; D376-R378 VanDerWaalsContact OD1-CB 3.26Å; D376-R378 WeakPolarHBondContact OD1-CB 3.47Å; D376-R378 VanDerWaalsContact OD1-CG 3.27Å; D376-R378 WeakPolarHBondContact OD1-CG 3.32Å; D376-R378 IonicContact OD1-CZ 3.97Å; D376-R378 PolarHBondContact OD1-N 2.98Å; D376-R378 IonicContact OD1-NE 3.64Å; D376-R378 PolarHBondContact OD1-NE 3.09Å; D376-R378 IonicContact OD1-NH2 3.7Å; D376-R378 IonicContact OD2-CZ 2.75Å; D376-R378 IonicContact OD2-NE 2.79Å; D376-R378 PolarHBondContact OD2-NE 2.93Å; D376-R378 IonicContact OD2-NH2 3.84Å; D376-R378 PolarHBondContact OD2-NH2 2.68Å; D376-I419 HydrophobicContact CB-CG2 4.47Å; D376-C423 PolarHBondContact O-SG 3.34Å; D376-C423 VanDerWaalsContact O-SG 3.34Å
377P91.1Very high74.4Confident28 Ų2864.5 Ų64.518%0.18240%0.401CS..  trans-80.522.3-176.235.2-37.7000113.2V451 M462 T463P377-V451 HydrophobicContact CB-CG1 4.25Å; P377-V451 WeakPolarHBondContact O-CG1 3.42Å; P377-M462 HydrophobicContact CB-CB 3.5Å; P377-M462 VanDerWaalsContact CB-CB 3.5Å; P377-M462 HydrophobicContact CB-CE 4.13Å; P377-M462 HydrophobicContact CB-CG 4.37Å; P377-M462 HydrophobicContact CB-SD 4.02Å; P377-M462 HydrophobicContact CG-CB 4.1Å; P377-M462 HydrophobicContact CG-CE 4.17Å; P377-T463 VanDerWaalsContact O-CB 3.32Å; P377-T463 WeakPolarHBondContact O-CB 3.49Å; P377-T463 PolarHBondContact O-OG1 3.09Å
378R92.9Very high77Confident111 Ų11159.4 Ų59.442%0.41937%0.374SS..  trans-90.1153.2176.5-65179.1-64.4178.83.7112.1D376 P396 I419 Y465D376-R378 PolarHBondContact O-N 2.69Å; D376-R378 VanDerWaalsContact O-N 3.09Å; D376-R378 VanDerWaalsContact OD1-CB 3.26Å; D376-R378 WeakPolarHBondContact OD1-CB 3.47Å; D376-R378 VanDerWaalsContact OD1-CG 3.27Å; D376-R378 WeakPolarHBondContact OD1-CG 3.32Å; D376-R378 IonicContact OD1-CZ 3.97Å; D376-R378 PolarHBondContact OD1-N 2.98Å; D376-R378 IonicContact OD1-NE 3.64Å; D376-R378 PolarHBondContact OD1-NE 3.09Å; D376-R378 IonicContact OD1-NH2 3.7Å; D376-R378 IonicContact OD2-CZ 2.75Å; D376-R378 IonicContact OD2-NE 2.79Å; D376-R378 PolarHBondContact OD2-NE 2.93Å; D376-R378 IonicContact OD2-NH2 3.84Å; D376-R378 PolarHBondContact OD2-NH2 2.68Å; R378-P396 HydrophobicContact CB-CB 4.3Å; R378-I419 HydrophobicContact CB-CD1 3.83Å; R378-I419 HydrophobicContact CB-CG1 4.42Å; R378-I419 PolarHBondContact O-N 2.82Å; R378-Y465 VanDerWaalsContact CA-OH 3.25Å; R378-Y465 WeakPolarHBondContact CA-OH 3.38Å; R378-Y465 WeakPolarHBondContact CB-OH 3.35Å
379L92.5Very high79.6Confident0 Ų059 Ų590%036%0.36CS..EExtended strand (participates in β ladder)trans-82.9139.2170.9-66.9177.2000110.6I382 F394 P396 P416 E417 V425 V449 V451 Y465L379-I382 HydrophobicContact CD1-CD1 4.23Å; L379-I382 HydrophobicContact CD1-CG1 4.01Å; L379-F394 HydrophobicContact CB-CE2 4.49Å; L379-F394 HydrophobicContact CB-CZ 3.83Å; L379-P396 VanDerWaalsContact O-CB 3.3Å; L379-P396 WeakPolarHBondContact O-CB 3.48Å; L379-P396 WeakPolarHBondContact O-CG 3.22Å; L379-P416 HydrophobicContact CD1-CB 4Å; L379-P416 HydrophobicContact CD2-CB 3.98Å; L379-E417 CarbonylContact C-O 3.49Å; L379-V425 HydrophobicContact CD2-CG2 3.93Å; L379-V449 HydrophobicContact CD1-CB 4.34Å; L379-V449 HydrophobicContact CD1-CG1 3.76Å; L379-V449 HydrophobicContact CD2-CG1 4.47Å; L379-V451 HydrophobicContact CD2-CG2 3.75Å; L379-V451 HydrophobicContact CG-CG2 3.97Å; L379-Y465 HydrophobicContact CB-CD2 4.46Å; L379-Y465 HydrophobicContact CB-CE1 4.41Å; L379-Y465 HydrophobicContact CB-CE2 3.98Å; L379-Y465 HydrophobicContact CD1-CD1 4.19Å; L379-Y465 HydrophobicContact CD1-CD2 3.36Å; L379-Y465 HydrophobicContact CD1-CE1 4.47Å; L379-Y465 HydrophobicContact CD1-CE2 3.72Å; L379-Y465 HydrophobicContact CD1-CG 3.63Å; L379-Y465 HydrophobicContact CG-CD2 3.67Å; L379-Y465 HydrophobicContact CG-CE2 3.48Å; L379-Y465 VanDerWaalsContact CG-CE2 3.48Å; L379-Y465 HydrophobicContact CG-CG 4.34Å; L379-Y465 PolarHBondContact N-OH 3.33Å
380R87.5Confident82.5Confident27 Ų2756.3 Ų56.310%0.10234%0.339CS..EExtended strand (participates in β ladder)trans-76.3-42.8170.8-170.2-178.777.7133.30.9111.2I255 E262 Y383 F394 E417 I419I255-R380 PolarHBondContact O-NH2 2.63Å; E262-R380 IonicContact OE2-CZ 3.27Å; E262-R380 IonicContact OE2-NH1 3.79Å; E262-R380 PolarHBondContact OE2-NH1 3.36Å; R380-Y383 PolarHBondContact NH2-OH 3.45Å; R380-Y383 VanDerWaalsContact NH2-OH 3.14Å; R380-F394 WeakPolarHBondContact O-CE1 3.47Å; R380-E417 WeakPolarHBondContact CB-O 3.27Å; R380-E417 PolarHBondContact N-O 2.78Å; R380-I419 HydrophobicContact CB-CG1 3.94Å
381Q88.1Confident85Confident18 Ų1854 Ų548%0.08432%0.322CS..EExtended strand (participates in β ladder)trans-163.2156.3-178.6-173.457.7-72.800111.3Y383 E417Q381-Y383 HydrophobicContact CB-CD2 4.43Å; Q381-Y383 HydrophobicContact CB-CE2 3.77Å; Q381-Y383 HydrophobicContact CG-CD1 4.43Å; Q381-Y383 HydrophobicContact CG-CD2 4.29Å; Q381-Y383 HydrophobicContact CG-CE1 4.04Å; Q381-Y383 HydrophobicContact CG-CE2 3.87Å; Q381-E417 PolarHBondContact N-O 3.47Å; Q381-E417 PolarHBondContact O-N 2.91Å
382I91.1Very high87.3Confident11 Ų1153 Ų536%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-112110.8167.8-59.7173.2000109.1L379 L390 F394 Y401 I414 P416 V467L379-I382 HydrophobicContact CD1-CD1 4.23Å; L379-I382 HydrophobicContact CD1-CG1 4.01Å; I382-L390 HydrophobicContact CB-CD1 4.43Å; I382-F394 HydrophobicContact CB-CD2 4.45Å; I382-F394 HydrophobicContact CD1-CD2 3.98Å; I382-F394 HydrophobicContact CD1-CE2 3.68Å; I382-F394 HydrophobicContact CG1-CD2 4.01Å; I382-F394 HydrophobicContact CG1-CE2 3.64Å; I382-F394 HydrophobicContact CG1-CZ 4.44Å; I382-Y401 HydrophobicContact CD1-CD2 4.43Å; I382-Y401 HydrophobicContact CD1-CE2 4.46Å; I382-I414 HydrophobicContact CG2-CG2 3.78Å; I382-P416 HydrophobicContact CG1-CB 4.42Å; I382-V467 HydrophobicContact CD1-CG2 4.01Å
383Y90.4Very high88.6Confident6 Ų655.5 Ų55.52%0.02431%0.309CS..EExtended strand (participates in β ladder)trans-87.8142.7175-59.1-87.2000110.6F251 Q254 I255 D258 R380 Q381 I414 R415 E417F251-Y383 HydrophobicContact CD1-CG 4.45Å; Q254-Y383 HydrophobicContact CB-CE1 4.5Å; Q254-Y383 VanDerWaalsContact CD-CD1 3.47Å; Q254-Y383 HydrophobicContact CG-CD1 4.01Å; Q254-Y383 HydrophobicContact CG-CE1 3.82Å; I255-Y383 HydrophobicContact CD1-CD2 4.2Å; I255-Y383 HydrophobicContact CD1-CE2 4.2Å; I255-Y383 HydrophobicContact CG1-CD2 3.78Å; I255-Y383 HydrophobicContact CG1-CE1 4.27Å; I255-Y383 HydrophobicContact CG1-CE2 3.38Å; I255-Y383 HydrophobicContact CG1-CG 4.38Å; D258-Y383 WeakPolarHBondContact OD2-CE1 3.12Å; D258-Y383 VanDerWaalsContact OD2-CZ 3.26Å; D258-Y383 PolarHBondContact OD2-OH 3.44Å; R380-Y383 PolarHBondContact NH2-OH 3.45Å; R380-Y383 VanDerWaalsContact NH2-OH 3.14Å; Q381-Y383 HydrophobicContact CB-CD2 4.43Å; Q381-Y383 HydrophobicContact CB-CE2 3.77Å; Q381-Y383 HydrophobicContact CG-CD1 4.43Å; Q381-Y383 HydrophobicContact CG-CD2 4.29Å; Q381-Y383 HydrophobicContact CG-CE1 4.04Å; Q381-Y383 HydrophobicContact CG-CE2 3.87Å; Y383-I414 WeakPolarHBondContact O-CA 3.31Å; Y383-R415 WeakPolarHBondContact CA-O 2.99Å; Y383-R415 VanDerWaalsContact CB-O 3.27Å; Y383-R415 WeakPolarHBondContact CB-O 3.21Å; Y383-R415 WeakPolarHBondContact CD2-O 3.32Å; Y383-R415 PolarHBondContact N-O 3.34Å; Y383-R415 PolarHBondContact O-N 2.9Å; Y383-E417 HydrophobicContact CD2-CB 4.37Å; Y383-E417 HydrophobicContact CE2-CB 3.87Å
384S91.8Very high89.2Confident15 Ų1549.2 Ų49.211%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-144.8149.6-179.8500000113P386 P387 L388 R413S384-P386 CarbonylContact C-O 3.58Å; S384-P386 CarbonylContact O-C 3.16Å; S384-P387 WeakPolarHBondContact O-CA 3.42Å; S384-L388 WeakPolarHBondContact OG-CB 3.31Å; S384-L388 PolarHBondContact OG-N 3.24Å; S384-R413 CarbonylContact C-O 3.33Å; S384-R413 WeakPolarHBondContact CA-O 3.47Å
385E89.7Confident89.3Confident91 Ų9150.9 Ų50.943%0.42529%0.288SS..EExtended strand (participates in β ladder)trans-135.8118.3175.2-175.2173.7-153.600109.7F251 V412 R413F251-E385 HydrophobicContact CE1-CB 4.12Å; F251-E385 HydrophobicContact CZ-CB 3.74Å; E385-V412 WeakPolarHBondContact O-CA 3.4Å; E385-R413 HydrophobicContact CB-CB 4.31Å; E385-R413 PolarHBondContact N-O 2.94Å; E385-R413 PolarHBondContact O-N 3.02Å
386P90.4Very high89.4Confident56 Ų5644.3 Ų44.336%0.36425%0.254SS..SBendcis-60.8157-6.129.3-35.9000111.8S384 L388 T409S384-P386 CarbonylContact C-O 3.58Å; S384-P386 CarbonylContact O-C 3.16Å; P386-L388 PolarHBondContact O-N 3.24Å; P386-T409 HydrophobicContact CG-CG2 3.8Å
387P87.9Confident89.5Confident93 Ų9346 Ų4660%0.60427%0.273SS*.PPolyproline II helixtrans-57.9121.8-179.5-24.934.2000112.2S384S384-P387 WeakPolarHBondContact O-CA 3.42Å
388L90.8Very high89.5Confident23 Ų2348.2 Ų48.212%0.1228%0.283CS..PPolyproline II helixtrans-86.8130.1175.3-64.4-176000111.1S384 P386 L390 A403 V405 V412 I414 V467 V469S384-L388 WeakPolarHBondContact OG-CB 3.31Å; S384-L388 PolarHBondContact OG-N 3.24Å; P386-L388 PolarHBondContact O-N 3.24Å; L388-L390 HydrophobicContact CB-CD2 4.11Å; L388-L390 PolarHBondContact O-N 2.9Å; L388-A403 HydrophobicContact CB-CB 4.1Å; L388-A403 HydrophobicContact CD1-CB 4.22Å; L388-A403 HydrophobicContact CD2-CB 4.27Å; L388-A403 HydrophobicContact CG-CB 4.44Å; L388-V405 HydrophobicContact CD2-CG1 3.46Å; L388-V405 VanDerWaalsContact CD2-CG1 3.46Å; L388-V412 HydrophobicContact CD1-CG1 3.95Å; L388-V412 HydrophobicContact CD2-CG1 4.34Å; L388-V412 HydrophobicContact CD2-CG2 4.04Å; L388-V412 HydrophobicContact CG-CG1 4.09Å; L388-I414 HydrophobicContact CD1-CD1 4.37Å; L388-V467 HydrophobicContact CD1-CG1 4.46Å; L388-V469 HydrophobicContact CD1-CG2 4.04Å
389S89.3Confident89.6Confident67 Ų6748.6 Ų48.647%0.46929%0.288SS..  trans-83.493.9169.2-63.90000109.4
390L90.5Very high89.9Confident24 Ų2453.4 Ų53.413%0.12631%0.31CS..  trans-71.6134.2-179.2-58.2-178.1000111.2I382 L388 P392 P393 F394 Y401 R402 A403 V467I382-L390 HydrophobicContact CB-CD1 4.43Å; L388-L390 HydrophobicContact CB-CD2 4.11Å; L388-L390 PolarHBondContact O-N 2.9Å; L390-P392 CarbonylContact C-O 3.51Å; L390-P392 CarbonylContact O-C 3.58Å; L390-P392 VanDerWaalsContact O-O 3.12Å; L390-P393 WeakPolarHBondContact O-CA 3.44Å; L390-F394 HydrophobicContact CD1-CB 4.17Å; L390-F394 HydrophobicContact CD1-CD2 4.24Å; L390-Y401 HydrophobicContact CB-CD1 4.22Å; L390-Y401 HydrophobicContact CD1-CD1 4.45Å; L390-Y401 HydrophobicContact CD1-CG 4.4Å; L390-R402 CarbonylContact C-O 3.28Å; L390-R402 WeakPolarHBondContact CA-O 3.03Å; L390-A403 HydrophobicContact CD2-CB 4.22Å; L390-V467 HydrophobicContact CD2-CG1 3.95Å
391T91.1Very high90.3Very high95 Ų9552.2 Ų52.258%0.58331%0.306SS*.BIsolated β-bridgetrans-122.2119.1175.5-56.80000109.4R402T391-R402 PolarHBondContact N-O 3.32Å; T391-R402 PolarHBondContact O-N 2.83Å
392P90.3Very high90.7Very high56 Ų5659 Ų5936%0.36433%0.33SS..SBendcis-63.2165.6-8.729.6-35000112L390 L398 Y401L390-P392 CarbonylContact C-O 3.51Å; L390-P392 CarbonylContact O-C 3.58Å; L390-P392 VanDerWaalsContact O-O 3.12Å; P392-L398 HydrophobicContact CB-CD1 4.24Å; P392-L398 HydrophobicContact CG-CD1 3.4Å; P392-Y401 VanDerWaalsContact O-CD1 3.31Å; P392-Y401 WeakPolarHBondContact O-CD1 3.31Å
393P85.1Confident91Very high100 Ų10058.5 Ų58.565%0.64933%0.328SS*.PPolyproline II helixtrans-51.2147.1172.5-26.434.8000111.4L390 S395L390-P393 WeakPolarHBondContact O-CA 3.44Å; P393-S395 PolarHBondContact O-N 3.28Å
394F86.6Confident91.2Very high14 Ų1465.2 Ų65.26%0.06136%0.36CS..PPolyproline II helixtrans-57131.7-173.3-176.5-93.8000111.9L379 R380 I382 L390 P396 Y401L379-F394 HydrophobicContact CB-CE2 4.49Å; L379-F394 HydrophobicContact CB-CZ 3.83Å; R380-F394 WeakPolarHBondContact O-CE1 3.47Å; I382-F394 HydrophobicContact CB-CD2 4.45Å; I382-F394 HydrophobicContact CD1-CD2 3.98Å; I382-F394 HydrophobicContact CD1-CE2 3.68Å; I382-F394 HydrophobicContact CG1-CD2 4.01Å; I382-F394 HydrophobicContact CG1-CE2 3.64Å; I382-F394 HydrophobicContact CG1-CZ 4.44Å; L390-F394 HydrophobicContact CD1-CB 4.17Å; L390-F394 HydrophobicContact CD1-CD2 4.24Å; F394-P396 HydrophobicContact CE1-CG 4.12Å; F394-Y401 HydrophobicContact CD2-CE1 4.16Å; F394-Y401 AromaticContact CD2-CE2 3.86Å; F394-Y401 HydrophobicContact CD2-CE2 3.86Å; F394-Y401 AromaticContact CD2-CZ 3.57Å; F394-Y401 WeakPolarHBondContact CD2-OH 3.46Å; F394-Y401 AromaticContact CE2-CE2 3.93Å; F394-Y401 HydrophobicContact CE2-CE2 3.93Å; F394-Y401 AromaticContact CE2-CZ 3.93Å
395S84.9Confident91.4Very high44 Ų4464.8 Ų64.831%0.30836%0.357SS..  trans-142.1128173.3172.40000109.6P393 A397 L398 Y401P393-S395 PolarHBondContact O-N 3.28Å; S395-A397 PolarHBondContact O-N 2.91Å; S395-L398 PolarHBondContact O-N 3.28Å; S395-Y401 PolarHBondContact N-OH 3.48Å; S395-Y401 PolarHBondContact O-OH 3.32Å
396P88.4Confident91.7Very high14 Ų1463.9 Ų63.99%0.09136%0.359CS..THydrogen-bonded Turntrans-51.9-23.2-179.7-28.934.7000115.2R378 L379 F394 I419 Y465R378-P396 HydrophobicContact CB-CB 4.3Å; L379-P396 VanDerWaalsContact O-CB 3.3Å; L379-P396 WeakPolarHBondContact O-CB 3.48Å; L379-P396 WeakPolarHBondContact O-CG 3.22Å; F394-P396 HydrophobicContact CE1-CG 4.12Å; P396-I419 HydrophobicContact CB-CD1 4.19Å; P396-I419 HydrophobicContact CG-CD1 4.4Å; P396-Y465 PolarHBondContact O-OH 3.25Å
397A88.6Confident91.8Very high72 Ų7261.6 Ų61.660%0.59534%0.343SS*.THydrogen-bonded Turntrans-77.1-26.2178.800000114.5S395S395-A397 PolarHBondContact O-N 2.91Å
398L92.1Very high92Very high75 Ų7561.6 Ų61.639%0.39334%0.338SS..  trans-94.6139.2-176.9-59.3178.7000110.6P392 S395 Y401 Y465P392-L398 HydrophobicContact CB-CD1 4.24Å; P392-L398 HydrophobicContact CG-CD1 3.4Å; S395-L398 PolarHBondContact O-N 3.28Å; L398-Y401 HydrophobicContact CB-CE1 4.23Å; L398-Y401 WeakPolarHBondContact O-CE2 3.41Å; L398-Y401 PolarHBondContact O-OH 3.47Å; L398-Y465 WeakPolarHBondContact O-CD1 3.49Å; L398-Y465 WeakPolarHBondContact O-CE1 3.3Å
399K95.4Very high92.3Very high119 Ų11961.6 Ų61.652%0.51734%0.339SS..  trans-108.5-9.1-174.4-62.4-178.2-176.7-178.90113.8T463 Y465 T466K399-T463 HydrophobicContact CD-CG2 4.31Å; K399-Y465 CarbonylContact O-C 3.51Å; K399-Y465 VanDerWaalsContact O-CA 3.28Å; K399-Y465 WeakPolarHBondContact O-CA 3.18Å; K399-T466 PolarHBondContact O-N 3.29Å
400E97.3Very high92.5Very high102 Ų10259.6 Ų59.648%0.47732%0.324SS..EExtended strand (participates in β ladder)trans-128.7131.9-177.6-166.8-178.2153.900110.1R402 T466 H468E400-R402 IonicContact OE1-NH2 3.85Å; E400-T466 WeakPolarHBondContact CA-O 3.28Å; E400-H468 IonicContact OE1-CD2 3.07Å; E400-H468 IonicContact OE1-NE2 2.59Å
401Y96.2Very high92.7Very high1 Ų159.9 Ų59.90%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-135.9151.9-178-62.1-78.5000111.1I382 L390 P392 F394 S395 L398 Y465 T466 H468I382-Y401 HydrophobicContact CD1-CD2 4.43Å; I382-Y401 HydrophobicContact CD1-CE2 4.46Å; L390-Y401 HydrophobicContact CB-CD1 4.22Å; L390-Y401 HydrophobicContact CD1-CD1 4.45Å; L390-Y401 HydrophobicContact CD1-CG 4.4Å; P392-Y401 VanDerWaalsContact O-CD1 3.31Å; P392-Y401 WeakPolarHBondContact O-CD1 3.31Å; F394-Y401 HydrophobicContact CD2-CE1 4.16Å; F394-Y401 AromaticContact CD2-CE2 3.86Å; F394-Y401 HydrophobicContact CD2-CE2 3.86Å; F394-Y401 AromaticContact CD2-CZ 3.57Å; F394-Y401 WeakPolarHBondContact CD2-OH 3.46Å; F394-Y401 AromaticContact CE2-CE2 3.93Å; F394-Y401 HydrophobicContact CE2-CE2 3.93Å; F394-Y401 AromaticContact CE2-CZ 3.93Å; S395-Y401 PolarHBondContact N-OH 3.48Å; S395-Y401 PolarHBondContact O-OH 3.32Å; L398-Y401 HydrophobicContact CB-CE1 4.23Å; L398-Y401 WeakPolarHBondContact O-CE2 3.41Å; L398-Y401 PolarHBondContact O-OH 3.47Å; Y401-Y465 HydrophobicContact CE2-CD1 4.08Å; Y401-T466 PolarHBondContact N-O 2.93Å; Y401-H468 PolarHBondContact O-N 2.99Å
402R97.2Very high92.9Very high160 Ų16055.3 Ų55.360%0.60430%0.297SS*.EExtended strand (participates in β ladder)trans-122.6144.3173.9-59.2-175.2178.6-147.8-3.3110.2L390 T391 E400 H468L390-R402 CarbonylContact C-O 3.28Å; L390-R402 WeakPolarHBondContact CA-O 3.03Å; T391-R402 PolarHBondContact N-O 3.32Å; T391-R402 PolarHBondContact O-N 2.83Å; E400-R402 IonicContact OE1-NH2 3.85Å; R402-H468 CarbonylContact C-O 3.58Å; R402-H468 VanDerWaalsContact CA-O 3.3Å; R402-H468 WeakPolarHBondContact CA-O 3.42Å; R402-H468 HydrophobicContact CG-CB 4.29Å
403A96.3Very high93.1Very high2 Ų254.8 Ų54.82%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-140.4140.7172.900000109.5L388 L390 H468 V469 Y470L388-A403 HydrophobicContact CB-CB 4.1Å; L388-A403 HydrophobicContact CD1-CB 4.22Å; L388-A403 HydrophobicContact CD2-CB 4.27Å; L388-A403 HydrophobicContact CG-CB 4.44Å; L390-A403 HydrophobicContact CD2-CB 4.22Å; A403-H468 PolarHBondContact N-O 3.41Å; A403-V469 CarbonylContact O-C 3.55Å; A403-V469 WeakPolarHBondContact O-CA 3.39Å; A403-Y470 PolarHBondContact O-N 3.17Å
404E96.3Very high93.4Very high146 Ų14650 Ų5068%0.68226%0.257SS*.EExtended strand (participates in β ladder)trans-108135.4174.6-67179.3-173.900109.2Y470E404-Y470 WeakPolarHBondContact CA-O 3.47Å; E404-Y470 HydrophobicContact CG-CD1 4.27Å
405V95.9Very high93.7Very high6 Ų651.5 Ų51.54%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-131.4144.5179.8-60.50000110.8L388 T409 V440 V469 Y470 R471 E472L388-V405 HydrophobicContact CD2-CG1 3.46Å; L388-V405 VanDerWaalsContact CD2-CG1 3.46Å; V405-T409 HydrophobicContact CB-CG2 3.95Å; V405-T409 HydrophobicContact CG1-CG2 4.22Å; V405-T409 HydrophobicContact CG2-CG2 4.09Å; V405-V440 HydrophobicContact CG2-CG1 4.25Å; V405-V469 HydrophobicContact CG1-CG1 3.98Å; V405-V469 HydrophobicContact CG2-CG1 3.88Å; V405-Y470 PolarHBondContact N-O 3.46Å; V405-R471 HydrophobicContact CG2-CB 3.8Å; V405-R471 HydrophobicContact CG2-CG 4.1Å; V405-E472 PolarHBondContact O-N 3.31Å
406P95Very high94.1Very high72 Ų7249.4 Ų49.447%0.46825%0.247SC..  trans-66.7162.7-179.228.6-36000111.5D408 T409P406-D408 PolarHBondContact O-N 3Å; P406-D408 VanDerWaalsContact O-N 3.08Å; P406-T409 WeakPolarHBondContact O-CB 3.44Å; P406-T409 PolarHBondContact O-N 3.02Å
407F93Very high94.2Very high8 Ų849 Ų494%0.03525%0.245CC..THydrogen-bonded Turntrans-49.3-38.3-179.2173.1-101.5000114.2T409 M442 R471 R474 K742 E743F407-T409 VanDerWaalsContact C-N 3.29Å; F407-T409 PolarHBondContact O-N 2.95Å; F407-M442 HydrophobicContact CE2-SD 4.08Å; F407-R471 PolarHBondContact O-NE 2.91Å; F407-R471 PolarHBondContact O-NH2 3.3Å; F407-R474 HydrophobicContact CD1-CB 4.38Å; F407-R474 HydrophobicContact CD1-CG 4.28Å; F407-R474 HydrophobicContact CD2-CB 3.98Å; F407-R474 HydrophobicContact CE1-CB 4.45Å; F407-R474 HydrophobicContact CE1-CG 4.35Å; F407-R474 HydrophobicContact CE2-CB 4.04Å; F407-R474 HydrophobicContact CG-CB 4.14Å; F407-R474 HydrophobicContact CG-CG 4.47Å; F407-R474 HydrophobicContact CZ-CB 4.28Å; F407-K742 HydrophobicContact CE1-CB 4.32Å; F407-K742 HydrophobicContact CE1-CD 4.18Å; F407-K742 HydrophobicContact CZ-CB 3.94Å; F407-E743 HydrophobicContact CE2-CG 3.97Å; F407-E743 HydrophobicContact CZ-CG 3.92Å
408D92.9Very high94.4Very high93 Ų9345.8 Ų45.850%0.49722%0.217SC..THydrogen-bonded Turntrans-76.9-9.9-176.7-74.3-64.1000114.7P406 V410 K742P406-D408 PolarHBondContact O-N 3Å; P406-D408 VanDerWaalsContact O-N 3.08Å; D408-V410 PolarHBondContact O-N 2.98Å; D408-K742 IonicContact OD1-NZ 3.03Å; D408-K742 PolarHBondContact OD1-NZ 3.4Å
409T95.3Very high94.1Very high24 Ų2445.6 Ų45.615%0.14722%0.216CC..  trans-7984.9176.2-57.20000110.7P386 V405 P406 F407 V412 R471P386-T409 HydrophobicContact CG-CG2 3.8Å; V405-T409 HydrophobicContact CB-CG2 3.95Å; V405-T409 HydrophobicContact CG1-CG2 4.22Å; V405-T409 HydrophobicContact CG2-CG2 4.09Å; P406-T409 WeakPolarHBondContact O-CB 3.44Å; P406-T409 PolarHBondContact O-N 3.02Å; F407-T409 VanDerWaalsContact C-N 3.29Å; F407-T409 PolarHBondContact O-N 2.95Å; T409-V412 HydrophobicContact CG2-CG2 4.09Å; T409-R471 VanDerWaalsContact O-CD 3.25Å; T409-R471 WeakPolarHBondContact O-CD 3.22Å; T409-R471 PolarHBondContact O-NE 2.89Å
410V94.8Very high93.7Very high25 Ų2541.3 Ų41.315%0.15220%0.201CC..  trans-82.7-14.8-179.1-67.10000114.3D408 V440 L696 K742 F744D408-V410 PolarHBondContact O-N 2.98Å; V410-V440 PolarHBondContact O-N 2.64Å; V410-L696 HydrophobicContact CB-CD1 4.24Å; V410-L696 HydrophobicContact CB-CD2 4.36Å; V410-L696 HydrophobicContact CG2-CD1 4.43Å; V410-L696 HydrophobicContact CG2-CD2 3.73Å; V410-K742 HydrophobicContact CG1-CB 4.15Å; V410-K742 HydrophobicContact CG1-CG 4.03Å; V410-F744 HydrophobicContact CB-CE1 4.04Å; V410-F744 HydrophobicContact CB-CZ 4.08Å; V410-F744 HydrophobicContact CG1-CE1 4Å; V410-F744 HydrophobicContact CG1-CZ 4.45Å
411M94.6Very high92.9Very high29 Ų2939.7 Ų39.714%0.14321%0.205CC..EExtended strand (participates in β ladder)trans-143148.8-176.4-74.4-75.1-73.200110.3N437 F438 P439 L696 P697 V698M411-N437 HydrophobicContact CE-CB 3.5Å; M411-N437 VanDerWaalsContact CE-CB 3.5Å; M411-F438 CarbonylContact C-O 3.24Å; M411-F438 VanDerWaalsContact CA-O 3.24Å; M411-F438 WeakPolarHBondContact CA-O 3.41Å; M411-P439 WeakPolarHBondContact SD-CA 3.34Å; M411-P439 HydrophobicContact SD-CB 3.97Å; M411-P439 VanDerWaalsContact SD-N 3.43Å; M411-L696 HydrophobicContact CE-CB 4.48Å; M411-L696 HydrophobicContact CG-CB 4.06Å; M411-L696 HydrophobicContact CG-CD1 3.77Å; M411-L696 HydrophobicContact CG-CD2 3.92Å; M411-L696 HydrophobicContact CG-CG 4.12Å; M411-L696 HydrophobicContact SD-CB 3.74Å; M411-L696 HydrophobicContact SD-CD1 3.73Å; M411-L696 HydrophobicContact SD-CG 4.23Å; M411-P697 HydrophobicContact CE-CG 4.49Å; M411-V698 HydrophobicContact CE-CG2 3.99Å; M411-V698 HydrophobicContact SD-CG2 3.82Å
412V94.6Very high92.3Very high0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-134.8129.3165.9178.80000108.8E385 L388 T409 I414 F438 V440E385-V412 WeakPolarHBondContact O-CA 3.4Å; L388-V412 HydrophobicContact CD1-CG1 3.95Å; L388-V412 HydrophobicContact CD2-CG1 4.34Å; L388-V412 HydrophobicContact CD2-CG2 4.04Å; L388-V412 HydrophobicContact CG-CG1 4.09Å; T409-V412 HydrophobicContact CG2-CG2 4.09Å; V412-I414 HydrophobicContact CG1-CD1 4.23Å; V412-I414 HydrophobicContact CG1-CG1 3.75Å; V412-F438 PolarHBondContact N-O 2.89Å; V412-F438 PolarHBondContact O-N 2.79Å; V412-V440 HydrophobicContact CB-CG2 4.18Å; V412-V440 HydrophobicContact CG2-CG2 3.71Å
413R93.9Very high91.9Very high45 Ų4534 Ų3417%0.1719%0.192CC..EExtended strand (participates in β ladder)trans-90.8130.5169-164.9-179.8-177.9-155.80.8108.9E248 F251 S384 E385 T435 A436 N437E248-R413 PolarHBondContact O-NH1 2.97Å; E248-R413 PolarHBondContact O-NH2 2.94Å; F251-R413 HydrophobicContact CE2-CB 4.29Å; F251-R413 HydrophobicContact CE2-CG 3.78Å; F251-R413 HydrophobicContact CZ-CB 4.34Å; F251-R413 HydrophobicContact CZ-CG 4.31Å; S384-R413 CarbonylContact C-O 3.33Å; S384-R413 WeakPolarHBondContact CA-O 3.47Å; E385-R413 HydrophobicContact CB-CB 4.31Å; E385-R413 PolarHBondContact N-O 2.94Å; E385-R413 PolarHBondContact O-N 3.02Å; R413-T435 HydrophobicContact CG-CG2 4.17Å; R413-A436 CarbonylContact C-O 3.44Å; R413-A436 VanDerWaalsContact CA-O 3.31Å; R413-A436 WeakPolarHBondContact CA-O 3.47Å; R413-N437 VanDerWaalsContact CB-OD1 3.28Å; R413-N437 WeakPolarHBondContact CB-OD1 3.24Å; R413-N437 WeakPolarHBondContact CD-OD1 3.32Å; R413-N437 WeakPolarHBondContact CG-OD1 3.42Å
414I92.8Very high91.6Very high0 Ų037.1 Ų37.10%021%0.21CC..EExtended strand (participates in β ladder)trans-122.8137.9-178.5-61.5-164.1000110.8I382 Y383 L388 V412 P416 L427 T435 A436 F438 I447I382-I414 HydrophobicContact CG2-CG2 3.78Å; Y383-I414 WeakPolarHBondContact O-CA 3.31Å; L388-I414 HydrophobicContact CD1-CD1 4.37Å; V412-I414 HydrophobicContact CG1-CD1 4.23Å; V412-I414 HydrophobicContact CG1-CG1 3.75Å; I414-P416 HydrophobicContact CG2-CG 4.18Å; I414-L427 HydrophobicContact CG2-CD2 4.48Å; I414-T435 WeakPolarHBondContact O-CA 3.44Å; I414-A436 PolarHBondContact N-O 3.16Å; I414-A436 PolarHBondContact O-N 2.84Å; I414-A436 VanDerWaalsContact O-N 3.11Å; I414-F438 HydrophobicContact CB-CD2 4.46Å; I414-F438 HydrophobicContact CB-CE2 4.36Å; I414-F438 HydrophobicContact CG1-CD2 4.39Å; I414-I447 HydrophobicContact CD1-CB 4.5Å; I414-I447 HydrophobicContact CD1-CD1 3.4Å; I414-I447 HydrophobicContact CD1-CG2 4.16Å; I414-I447 HydrophobicContact CG1-CD1 4.35Å
415R92.6Very high91.4Very high44 Ų4430.3 Ų30.317%0.16618%0.179CC..EExtended strand (participates in β ladder)trans-135.5101.8173.1171.944.9169.1-130-2.6110.3F251 I255 Y383 E417 R434 T435F251-R415 HydrophobicContact CB-CB 4.25Å; F251-R415 HydrophobicContact CB-CG 4.12Å; F251-R415 HydrophobicContact CD1-CB 4.34Å; F251-R415 HydrophobicContact CD2-CB 3.52Å; F251-R415 HydrophobicContact CD2-CG 4.21Å; F251-R415 HydrophobicContact CE2-CB 3.84Å; F251-R415 HydrophobicContact CG-CB 3.8Å; F251-R415 HydrophobicContact CG-CG 4.22Å; F251-R415 HydrophobicContact CZ-CB 4.39Å; I255-R415 HydrophobicContact CD1-CG 4.09Å; Y383-R415 WeakPolarHBondContact CA-O 2.99Å; Y383-R415 VanDerWaalsContact CB-O 3.27Å; Y383-R415 WeakPolarHBondContact CB-O 3.21Å; Y383-R415 WeakPolarHBondContact CD2-O 3.32Å; Y383-R415 PolarHBondContact N-O 3.34Å; Y383-R415 PolarHBondContact O-N 2.9Å; R415-E417 IonicContact NE-OE2 3.98Å; R415-R434 WeakPolarHBondContact CD-O 3.47Å; R415-R434 VanDerWaalsContact NH1-CD 3.25Å; R415-T435 HydrophobicContact CB-CG2 4.2Å; R415-T435 WeakPolarHBondContact CD-OG1 3.44Å; R415-T435 PolarHBondContact NH1-OG1 3.14Å
416P93.6Very high91.2Very high0 Ų030.5 Ų30.50%018%0.18CC..EExtended strand (participates in β ladder)trans-83.2145.5173.4-321.5000111.7L379 I382 I414 V425 L427 R434 V449L379-P416 HydrophobicContact CD1-CB 4Å; L379-P416 HydrophobicContact CD2-CB 3.98Å; I382-P416 HydrophobicContact CG1-CB 4.42Å; I414-P416 HydrophobicContact CG2-CG 4.18Å; P416-V425 HydrophobicContact CB-CG1 4Å; P416-V425 HydrophobicContact CG-CG1 3.94Å; P416-L427 HydrophobicContact CG-CD2 3.83Å; P416-R434 WeakPolarHBondContact CD-O 3.24Å; P416-V449 HydrophobicContact CB-CG1 3.71Å; P416-V449 HydrophobicContact CG-CB 4.3Å; P416-V449 HydrophobicContact CG-CG1 3.45Å; P416-V449 VanDerWaalsContact CG-CG1 3.45Å; P416-V449 HydrophobicContact CG-CG2 3.84Å
417E90.9Very high91.1Very high7 Ų727.3 Ų27.33%0.03316%0.159CC..EExtended strand (participates in β ladder)trans-117.3122.6178.1-166.262.5-160.200110.6I255 R259 L379 R380 Q381 Y383 R415 R434I255-E417 HydrophobicContact CG2-CG 4.39Å; R259-E417 IonicContact CZ-OE1 3.24Å; R259-E417 IonicContact NH2-OE1 3.82Å; R259-E417 PolarHBondContact NH2-OE1 3.33Å; L379-E417 CarbonylContact C-O 3.49Å; R380-E417 WeakPolarHBondContact CB-O 3.27Å; R380-E417 PolarHBondContact N-O 2.78Å; Q381-E417 PolarHBondContact N-O 3.47Å; Q381-E417 PolarHBondContact O-N 2.91Å; Y383-E417 HydrophobicContact CD2-CB 4.37Å; Y383-E417 HydrophobicContact CE2-CB 3.87Å; R415-E417 IonicContact NE-OE2 3.98Å; E417-R434 IonicContact OE1-NH2 2.91Å; E417-R434 PolarHBondContact OE1-NH2 2.78Å; E417-R434 IonicContact OE2-CZ 2.87Å; E417-R434 IonicContact OE2-NH2 3.96Å; E417-R434 PolarHBondContact OE2-NH2 2.78Å
418P91.7Very high90.7Very high4 Ų429.9 Ų29.93%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-74.3156.2176.931.9-34.3000111.8C423 V425P418-C423 HydrophobicContact CB-CB 4.11Å; P418-V425 HydrophobicContact CB-CG2 3.99Å; P418-V425 HydrophobicContact CG-CG2 4.04Å
419I86.9Confident90.2Very high71 Ų7129.4 Ų29.436%0.36417%0.171SC..SBendtrans-68.8-52.2170.6-67-175.8000110D376 R378 R380 P396D376-I419 HydrophobicContact CB-CG2 4.47Å; R378-I419 HydrophobicContact CB-CD1 3.83Å; R378-I419 HydrophobicContact CB-CG1 4.42Å; R378-I419 PolarHBondContact O-N 2.82Å; R380-I419 HydrophobicContact CB-CG1 3.94Å; P396-I419 HydrophobicContact CB-CD1 4.19Å; P396-I419 HydrophobicContact CG-CD1 4.4Å
420S85.3Confident89.4Confident28 Ų2833.3 Ų33.320%0.19619%0.187CC..SBendtrans-87.9128.8176.8173.10000110.9A422 C423S420-A422 PolarHBondContact O-N 2.81Å; S420-A422 PolarHBondContact OG-N 3.09Å; S420-C423 PolarHBondContact O-N 3.25Å; S420-C423 VanDerWaalsContact O-N 3.16Å
421A80.8Confident88.6Confident68 Ų6842.9 Ų42.956%0.56222%0.221SC*.THydrogen-bonded Turntrans-69.7-13.8178.300000113.9L367 C423L367-A421 HydrophobicContact CD1-CB 3.35Å; A421-C423 VanDerWaalsContact C-N 3.34Å
422A83.7Confident88.1Confident34 Ų3442.1 Ų42.128%0.28122%0.221SC..THydrogen-bonded Turntrans-78.7-18173.800000112.9S420S420-A422 PolarHBondContact O-N 2.81Å; S420-A422 PolarHBondContact OG-N 3.09Å
423C89.1Confident87.8Confident8 Ų845.2 Ų45.25%0.05424%0.24CC..  trans-79.3140.9178.8-55.10000111.3C374 D376 P418 S420 A421 V451C374-C423 HydrophobicContact CB-CB 4Å; C374-C423 WeakPolarHBondContact CB-SG 3.35Å; C374-C423 WeakPolarHBondContact SG-CB 3.39Å; C374-C423 CovalentContact SG-SG 2.03Å; C374-C423 PolarHBondContact SG-SG 3.2Å; D376-C423 PolarHBondContact O-SG 3.34Å; D376-C423 VanDerWaalsContact O-SG 3.34Å; P418-C423 HydrophobicContact CB-CB 4.11Å; S420-C423 PolarHBondContact O-N 3.25Å; S420-C423 VanDerWaalsContact O-N 3.16Å; A421-C423 VanDerWaalsContact C-N 3.34Å; C423-V451 HydrophobicContact CB-CG1 3.86Å
424V90.5Very high87.6Confident67 Ų6747.4 Ų47.441%0.40625%0.249SC..EExtended strand (participates in β ladder)trans-99.9139175178.10000109V451 T452V424-V451 CarbonylContact O-C 3.57Å; V424-V451 WeakPolarHBondContact O-CA 3.42Å; V424-T452 WeakPolarHBondContact CB-OG1 3.26Å; V424-T452 PolarHBondContact N-O 3.28Å; V424-T452 PolarHBondContact O-N 3.15Å; V424-T452 PolarHBondContact O-OG1 3.45Å
425V91.9Very high87.5Confident4 Ų449 Ų492%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-115.6126.6178.9177.30000109.3L379 P416 P418 R434 V449 L450 V451L379-V425 HydrophobicContact CD2-CG2 3.93Å; P416-V425 HydrophobicContact CB-CG1 4Å; P416-V425 HydrophobicContact CG-CG1 3.94Å; P418-V425 HydrophobicContact CB-CG2 3.99Å; P418-V425 HydrophobicContact CG-CG2 4.04Å; V425-R434 HydrophobicContact CB-CG 4.19Å; V425-V449 HydrophobicContact CG1-CG1 3.61Å; V425-L450 CarbonylContact C-O 3.57Å; V425-L450 WeakPolarHBondContact CA-O 3.41Å; V425-V451 HydrophobicContact CG2-CG2 4.41Å
426C91.9Very high87.5Confident9 Ų947.1 Ų47.16%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-123.7136.2178.9-53.20000109.9N429 H430 L450C426-N429 WeakPolarHBondContact CB-O 3.41Å; C426-H430 PolarHBondContact SG-O 2.88Å; C426-L450 PolarHBondContact N-O 2.89Å; C426-L450 WeakPolarHBondContact O-CB 3.47Å; C426-L450 VanDerWaalsContact O-CD1 3.24Å; C426-L450 WeakPolarHBondContact O-CD1 3.41Å; C426-L450 PolarHBondContact O-N 3.47Å
427L92Very high87.5Confident5 Ų549 Ų493%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-94.8131.3178.2-70.8168.4000111.6I414 P416 N429 G432 P433 A436 F438 V449I414-L427 HydrophobicContact CG2-CD2 4.48Å; P416-L427 HydrophobicContact CG-CD2 3.83Å; L427-N429 PolarHBondContact O-N 2.67Å; L427-G432 WeakPolarHBondContact O-CA 3.42Å; L427-P433 WeakPolarHBondContact CB-O 3.42Å; L427-P433 WeakPolarHBondContact CG-O 3.21Å; L427-P433 PolarHBondContact N-O 3.18Å; L427-A436 HydrophobicContact CB-CB 4.44Å; L427-A436 HydrophobicContact CD1-CB 3.59Å; L427-A436 VanDerWaalsContact CD1-N 3.35Å; L427-F438 HydrophobicContact CB-CZ 4.03Å; L427-F438 HydrophobicContact CD1-CE2 4.13Å; L427-F438 HydrophobicContact CD1-CZ 4.45Å; L427-F438 HydrophobicContact CD2-CE2 4.42Å; L427-F438 HydrophobicContact CD2-CZ 4.48Å; L427-V449 HydrophobicContact CD2-CB 4.37Å; L427-V449 HydrophobicContact CD2-CG1 4.4Å; L427-V449 HydrophobicContact CD2-CG2 3.78Å
428D84.8Confident87.6Confident63 Ų6349.9 Ų49.934%0.33727%0.266SS..SBendtrans57.4-40.6-177.4-81.4-3.4000117.9F438 S448D428-F438 WeakPolarHBondContact OD2-CE1 3.36Å; D428-S448 PolarHBondContact N-O 2.79Å; D428-S448 PolarHBondContact OD1-N 2.82Å
429N83.6Confident87.7Confident83 Ų8350.3 Ų50.344%0.44427%0.269SS..SBendtrans-126157-178.3-66-27.9000110.6C426 L427 R431 G432C426-N429 WeakPolarHBondContact CB-O 3.41Å; L427-N429 PolarHBondContact O-N 2.67Å; N429-R431 PolarHBondContact O-N 3Å; N429-G432 PolarHBondContact O-N 2.62Å
430H77.9Confident88.1Confident106 Ų10647 Ų4749%0.49125%0.252SS..THydrogen-bonded Turntrans-56.4-23.8176.4-61-83.4000114.7C426 V461C426-H430 PolarHBondContact SG-O 2.88Å; H430-V461 WeakPolarHBondContact CE1-CG2 3.34Å; H430-V461 WeakPolarHBondContact ND1-CG2 3.21Å
431R77.9Confident88.6Confident225 Ų22545.7 Ų45.785%0.84924%0.243SC*.THydrogen-bonded Turntrans-112.216.6175.4-61.3-173.3-179-152.1-3.6112.7N429N429-R431 PolarHBondContact O-N 3Å
432G83.5Confident89.2Confident14 Ų1443.9 Ų43.914%0.14422%0.224CC..  trans-66.6153.9176.600000111.4L427 N429L427-G432 WeakPolarHBondContact O-CA 3.42Å; N429-G432 PolarHBondContact O-N 2.62Å
433P89.6Confident89.6Confident64 Ų6443.2 Ų43.242%0.41622%0.22SC..  trans-68.1159.8177.732.5-36.9000110.8L427 T435 A436L427-P433 WeakPolarHBondContact CB-O 3.42Å; L427-P433 WeakPolarHBondContact CG-O 3.21Å; L427-P433 PolarHBondContact N-O 3.18Å; P433-T435 VanDerWaalsContact C-N 3.29Å; P433-T435 WeakPolarHBondContact CB-O 3.38Å; P433-T435 WeakPolarHBondContact CG-O 3.49Å; P433-A436 HydrophobicContact CG-CB 3.97Å
434R88.8Confident89.7Confident91 Ų9145.7 Ų45.734%0.34324%0.235SC..SBendtrans-75.3-19.4176.3-168179.5163.1-172.2-4.2113R415 P416 E417 V425R415-R434 WeakPolarHBondContact CD-O 3.47Å; R415-R434 VanDerWaalsContact NH1-CD 3.25Å; P416-R434 WeakPolarHBondContact CD-O 3.24Å; E417-R434 IonicContact OE1-NH2 2.91Å; E417-R434 PolarHBondContact OE1-NH2 2.78Å; E417-R434 IonicContact OE2-CZ 2.87Å; E417-R434 IonicContact OE2-NH2 3.96Å; E417-R434 PolarHBondContact OE2-NH2 2.78Å; V425-R434 HydrophobicContact CB-CG 4.19Å
435T91.5Very high89.9Confident34 Ų3443.1 Ų43.121%0.20922%0.22CC..SBendtrans-130.6133.5173.1-54.70000107.3F251 R413 I414 R415 P433F251-T435 HydrophobicContact CD2-CG2 4.27Å; F251-T435 HydrophobicContact CE2-CG2 4.22Å; R413-T435 HydrophobicContact CG-CG2 4.17Å; I414-T435 WeakPolarHBondContact O-CA 3.44Å; R415-T435 HydrophobicContact CB-CG2 4.2Å; R415-T435 WeakPolarHBondContact CD-OG1 3.44Å; R415-T435 PolarHBondContact NH1-OG1 3.14Å; P433-T435 VanDerWaalsContact C-N 3.29Å; P433-T435 WeakPolarHBondContact CB-O 3.38Å; P433-T435 WeakPolarHBondContact CG-O 3.49Å
436A91.8Very high90Very high5 Ų548.3 Ų48.34%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-145.3149.5177.800000113.3R413 I414 L427 P433 F438 D699R413-A436 CarbonylContact C-O 3.44Å; R413-A436 VanDerWaalsContact CA-O 3.31Å; R413-A436 WeakPolarHBondContact CA-O 3.47Å; I414-A436 PolarHBondContact N-O 3.16Å; I414-A436 PolarHBondContact O-N 2.84Å; I414-A436 VanDerWaalsContact O-N 3.11Å; L427-A436 HydrophobicContact CB-CB 4.44Å; L427-A436 HydrophobicContact CD1-CB 3.59Å; L427-A436 VanDerWaalsContact CD1-N 3.35Å; P433-A436 HydrophobicContact CG-CB 3.97Å; A436-F438 HydrophobicContact CB-CD2 4.27Å; A436-F438 HydrophobicContact CB-CE2 3.66Å; A436-F438 HydrophobicContact CB-CZ 3.9Å; A436-D699 WeakPolarHBondContact CA-OD2 3.18Å; A436-D699 HydrophobicContact CB-CB 4.45Å
437N93.1Very high90.1Very high39 Ų3948 Ų4821%0.20924%0.242CC..EExtended strand (participates in β ladder)trans-92.4112.2172-78.4-36.7000109.6M411 R413 P697 D699M411-N437 HydrophobicContact CE-CB 3.5Å; M411-N437 VanDerWaalsContact CE-CB 3.5Å; R413-N437 VanDerWaalsContact CB-OD1 3.28Å; R413-N437 WeakPolarHBondContact CB-OD1 3.24Å; R413-N437 WeakPolarHBondContact CD-OD1 3.32Å; R413-N437 WeakPolarHBondContact CG-OD1 3.42Å; N437-P697 WeakPolarHBondContact CB-O 3.39Å; N437-P697 PolarHBondContact ND2-O 2.77Å; N437-D699 WeakPolarHBondContact CB-OD2 3.48Å; N437-D699 PolarHBondContact N-OD2 2.99Å
438F93.1Very high90.3Very high25 Ų2549.1 Ų49.111%0.1125%0.25CC..EExtended strand (participates in β ladder)trans-105.7131-178.3-70.2-81.3000112.2M411 V412 I414 L427 D428 A436 I447M411-F438 CarbonylContact C-O 3.24Å; M411-F438 VanDerWaalsContact CA-O 3.24Å; M411-F438 WeakPolarHBondContact CA-O 3.41Å; V412-F438 PolarHBondContact N-O 2.89Å; V412-F438 PolarHBondContact O-N 2.79Å; I414-F438 HydrophobicContact CB-CD2 4.46Å; I414-F438 HydrophobicContact CB-CE2 4.36Å; I414-F438 HydrophobicContact CG1-CD2 4.39Å; L427-F438 HydrophobicContact CB-CZ 4.03Å; L427-F438 HydrophobicContact CD1-CE2 4.13Å; L427-F438 HydrophobicContact CD1-CZ 4.45Å; L427-F438 HydrophobicContact CD2-CE2 4.42Å; L427-F438 HydrophobicContact CD2-CZ 4.48Å; D428-F438 WeakPolarHBondContact OD2-CE1 3.36Å; A436-F438 HydrophobicContact CB-CD2 4.27Å; A436-F438 HydrophobicContact CB-CE2 3.66Å; A436-F438 HydrophobicContact CB-CZ 3.9Å; F438-I447 HydrophobicContact CB-CD1 4.04Å; F438-I447 HydrophobicContact CB-CG1 4.48Å; F438-I447 HydrophobicContact CD1-CG1 4.21Å; F438-I447 HydrophobicContact CD2-CD1 3.92Å; F438-I447 HydrophobicContact CD2-CG1 4.31Å; F438-I447 HydrophobicContact CD2-CG2 4.12Å; F438-I447 HydrophobicContact CE1-CG2 4.12Å; F438-I447 HydrophobicContact CE2-CG2 3.61Å; F438-I447 HydrophobicContact CG-CD1 3.92Å; F438-I447 HydrophobicContact CG-CG1 4.08Å; F438-I447 HydrophobicContact CZ-CG2 3.61Å
439P94.8Very high90.8Very high13 Ų1346.1 Ų46.18%0.08423%0.234CC..EExtended strand (participates in β ladder)trans-72.1132.2167.631.7-31.5000109.5M411 L696 V698 F744M411-P439 WeakPolarHBondContact SD-CA 3.34Å; M411-P439 HydrophobicContact SD-CB 3.97Å; M411-P439 VanDerWaalsContact SD-N 3.43Å; P439-L696 HydrophobicContact CB-CD1 4.19Å; P439-V698 HydrophobicContact CB-CG2 3.99Å; P439-V698 HydrophobicContact CG-CG1 4.34Å; P439-V698 HydrophobicContact CG-CG2 3.87Å; P439-F744 HydrophobicContact CB-CE2 4.08Å; P439-F744 HydrophobicContact CB-CZ 4.46Å
440V95.6Very high91.3Very high1 Ų142.7 Ų42.71%0.00622%0.215CC..  trans-106.5101.6176.4-170.40000108.3V405 V410 V412 V469 R471 F744V405-V440 HydrophobicContact CG2-CG1 4.25Å; V410-V440 PolarHBondContact O-N 2.64Å; V412-V440 HydrophobicContact CB-CG2 4.18Å; V412-V440 HydrophobicContact CG2-CG2 3.71Å; V440-V469 HydrophobicContact CG1-CB 4.31Å; V440-V469 HydrophobicContact CG1-CG1 3.78Å; V440-V469 HydrophobicContact CG2-CG1 4.36Å; V440-R471 HydrophobicContact CG1-CB 3.69Å; V440-R471 HydrophobicContact CG1-CG 4.47Å; V440-R471 WeakPolarHBondContact O-CD 3.28Å; V440-R471 PolarHBondContact O-NH1 2.88Å; V440-F744 WeakPolarHBondContact O-CE2 3.28Å; V440-F744 WeakPolarHBondContact O-CZ 3.48Å
441G94.1Very high92.1Very high1 Ų137.7 Ų37.71%0.0119%0.192CC..  trans-72.8159.7174.900000111.3S445 R471 F744G441-S445 PolarHBondContact N-OG 3.21Å; G441-R471 WeakPolarHBondContact O-CB 3.07Å; G441-F744 VanDerWaalsContact CA-CE2 3.5Å; G441-F744 WeakPolarHBondContact CA-O 3.47Å
442M93.6Very high92.7Very high31 Ų3127 Ų2715%0.15315%0.152CC..SBendtrans-58.5141174.1-58.1-174.9-60.400110.6F407 E743 F744 L745F407-M442 HydrophobicContact CE2-SD 4.08Å; M442-E743 HydrophobicContact CE-CB 3.75Å; M442-E743 HydrophobicContact CE-CG 4.39Å; M442-E743 VanDerWaalsContact CE-O 3.3Å; M442-E743 WeakPolarHBondContact CE-O 3.27Å; M442-E743 HydrophobicContact SD-CB 3.99Å; M442-E743 HydrophobicContact SD-CG 4.06Å; M442-F744 PolarHBondContact N-O 2.04Å; M442-L745 HydrophobicContact CB-CD2 4.04Å; M442-L745 HydrophobicContact CE-CD2 3.72Å
443G92.1Very high92.7Very high20 Ų2028.6 Ų28.621%0.20616%0.157CC..EExtended strand (participates in β ladder)trans85.2-153.7-170.700000112.5Y470 R471G443-Y470 WeakPolarHBondContact O-CA 3.43Å; G443-R471 PolarHBondContact N-O 2.89Å; G443-R471 PolarHBondContact O-N 3.25Å
444T92.4Very high91.9Very high60 Ų6027 Ų2737%0.36815%0.153SC..EExtended strand (participates in β ladder)trans-94101.3-168.8-53.40000113H468 Q746T444-H468 HydrophobicContact CG2-CB 3.98Å; T444-Q746 PolarHBondContact O-NE2 3Å; T444-Q746 PolarHBondContact O-OE1 3.19Å; T444-Q746 VanDerWaalsContact O-OE1 3.13Å
445S93.3Very high91.2Very high13 Ų1324.8 Ų24.89%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-81.3146.4168.6-59.70000110.9G441 H468 V469G441-S445 PolarHBondContact N-OG 3.21Å; S445-H468 CarbonylContact O-C 3.41Å; S445-H468 WeakPolarHBondContact O-CA 3.41Å; S445-V469 PolarHBondContact N-O 2.99Å; S445-V469 PolarHBondContact O-N 3.4Å
446Q93.9Very high90.1Very high112 Ų11231 Ų3152%0.52318%0.18SC..EExtended strand (participates in β ladder)trans-114131177.6-175.5-176.22.400110T466Q446-T466 HydrophobicContact CG-CG2 3.61Å
447I95Very high88.9Confident4 Ų435.5 Ų35.52%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-120.4126.2174.5-57.4169.7000108.4I414 F438 T466 V467 V469I414-I447 HydrophobicContact CD1-CB 4.5Å; I414-I447 HydrophobicContact CD1-CD1 3.4Å; I414-I447 HydrophobicContact CD1-CG2 4.16Å; I414-I447 HydrophobicContact CG1-CD1 4.35Å; F438-I447 HydrophobicContact CB-CD1 4.04Å; F438-I447 HydrophobicContact CB-CG1 4.48Å; F438-I447 HydrophobicContact CD1-CG1 4.21Å; F438-I447 HydrophobicContact CD2-CD1 3.92Å; F438-I447 HydrophobicContact CD2-CG1 4.31Å; F438-I447 HydrophobicContact CD2-CG2 4.12Å; F438-I447 HydrophobicContact CE1-CG2 4.12Å; F438-I447 HydrophobicContact CE2-CG2 3.61Å; F438-I447 HydrophobicContact CG-CD1 3.92Å; F438-I447 HydrophobicContact CG-CG1 4.08Å; F438-I447 HydrophobicContact CZ-CG2 3.61Å; I447-T466 WeakPolarHBondContact O-CA 3.16Å; I447-V467 HydrophobicContact CB-CB 4.49Å; I447-V467 PolarHBondContact N-O 3.4Å; I447-V467 PolarHBondContact O-N 3.12Å; I447-V469 HydrophobicContact CD1-CG2 4.01Å
448S95.1Very high87.9Confident27 Ų2743.9 Ų43.919%0.18924%0.238CC..EExtended strand (participates in β ladder)trans-106.6130.2179.8-58.50000111.1D428D428-S448 PolarHBondContact N-O 2.79Å; D428-S448 PolarHBondContact OD1-N 2.82Å
449V96.4Very high87.4Confident0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-111116.4175.3-175.20000108.5L379 P416 V425 L427 I464 Y465L379-V449 HydrophobicContact CD1-CB 4.34Å; L379-V449 HydrophobicContact CD1-CG1 3.76Å; L379-V449 HydrophobicContact CD2-CG1 4.47Å; P416-V449 HydrophobicContact CB-CG1 3.71Å; P416-V449 HydrophobicContact CG-CB 4.3Å; P416-V449 HydrophobicContact CG-CG1 3.45Å; P416-V449 VanDerWaalsContact CG-CG1 3.45Å; P416-V449 HydrophobicContact CG-CG2 3.84Å; V425-V449 HydrophobicContact CG1-CG1 3.61Å; L427-V449 HydrophobicContact CD2-CB 4.37Å; L427-V449 HydrophobicContact CD2-CG1 4.4Å; L427-V449 HydrophobicContact CD2-CG2 3.78Å; V449-I464 CarbonylContact O-C 3.57Å; V449-I464 VanDerWaalsContact O-CA 3.31Å; V449-I464 WeakPolarHBondContact O-CA 3.36Å; V449-Y465 PolarHBondContact N-O 2.69Å; V449-Y465 PolarHBondContact O-N 3.11Å
450L94.6Very high87Confident12 Ų1247.9 Ų47.96%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-102.9126.5-179.5-54.890.4000109.1V425 C426 V461V425-L450 CarbonylContact C-O 3.57Å; V425-L450 WeakPolarHBondContact CA-O 3.41Å; C426-L450 PolarHBondContact N-O 2.89Å; C426-L450 WeakPolarHBondContact O-CB 3.47Å; C426-L450 VanDerWaalsContact O-CD1 3.24Å; C426-L450 WeakPolarHBondContact O-CD1 3.41Å; C426-L450 PolarHBondContact O-N 3.47Å; L450-V461 HydrophobicContact CB-CG1 4.29Å; L450-V461 HydrophobicContact CB-CG2 4.42Å; L450-V461 HydrophobicContact CD2-CG1 4.29Å; L450-V461 HydrophobicContact CD2-CG2 3.8Å
451V93.7Very high86.7Confident0 Ų049.7 Ų49.70%028%0.276CS..EExtended strand (participates in β ladder)trans-103.4124.1171.5-170.60000108.2P377 L379 C423 V424 V425 M462 T463 Y465P377-V451 HydrophobicContact CB-CG1 4.25Å; P377-V451 WeakPolarHBondContact O-CG1 3.42Å; L379-V451 HydrophobicContact CD2-CG2 3.75Å; L379-V451 HydrophobicContact CG-CG2 3.97Å; C423-V451 HydrophobicContact CB-CG1 3.86Å; V424-V451 CarbonylContact O-C 3.57Å; V424-V451 WeakPolarHBondContact O-CA 3.42Å; V425-V451 HydrophobicContact CG2-CG2 4.41Å; V451-M462 PolarHBondContact O-N 2.86Å; V451-T463 PolarHBondContact N-O 2.87Å; V451-T463 PolarHBondContact O-N 3.32Å; V451-Y465 HydrophobicContact CG2-CD2 4.3Å; V451-Y465 HydrophobicContact CG2-CE2 4.14Å
452T90.3Very high86.5Confident1 Ų153.5 Ų53.51%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-122161.1-17573.90000112.3V424 G454 P459 V460 V461V424-T452 WeakPolarHBondContact CB-OG1 3.26Å; V424-T452 PolarHBondContact N-O 3.28Å; V424-T452 PolarHBondContact O-N 3.15Å; V424-T452 PolarHBondContact O-OG1 3.45Å; T452-G454 PolarHBondContact O-N 2.73Å; T452-P459 HydrophobicContact CG2-CB 4.32Å; T452-V460 WeakPolarHBondContact CA-O 2.97Å; T452-V460 WeakPolarHBondContact CB-O 3.4Å; T452-V461 HydrophobicContact CG2-CG2 4.04Å
453D83.8Confident86.5Confident47 Ų4752.7 Ų52.725%0.25129%0.291SS..  trans-72-8.5178.464.2-6.3000114.6A455 P459 V460 M462D453-A455 PolarHBondContact O-N 3.48Å; D453-A455 PolarHBondContact OD1-N 2.84Å; D453-A455 VanDerWaalsContact OD1-N 3.09Å; D453-P459 WeakPolarHBondContact OD1-CA 3.44Å; D453-V460 PolarHBondContact N-O 2.98Å; D453-V460 PolarHBondContact OD1-N 3.14Å; D453-M462 HydrophobicContact CB-CG 4.38Å; D453-M462 HydrophobicContact CB-SD 3.78Å
454G73.9Confident86.7Confident32 Ų3255.6 Ų55.633%0.3330%0.301SS..  trans71.810.1-177.900000114.6T452 E456T452-G454 PolarHBondContact O-N 2.73Å; G454-E456 PolarHBondContact O-N 3.34Å
455A73.1Confident86.9Confident43 Ų4352.8 Ų52.836%0.35528%0.284SS..  trans-72.3122.3179.700000111.3D453 R458 P459D453-A455 PolarHBondContact O-N 3.48Å; D453-A455 PolarHBondContact OD1-N 2.84Å; D453-A455 VanDerWaalsContact OD1-N 3.09Å; A455-R458 CarbonylContact O-C 3.5Å; A455-R458 PolarHBondContact O-N 2.72Å; A455-P459 VanDerWaalsContact O-CA 3.24Å; A455-P459 WeakPolarHBondContact O-CA 3.41Å
456E67.5Low87.1Confident164 Ų16453.3 Ų53.377%0.76629%0.286SS*.SBendtrans-91.2142.6170.8-72.9-71.4166.300109.8G454G454-E456 PolarHBondContact O-N 3.34Å
457P68.5Low87.3Confident101 Ų10148 Ų4866%0.65626%0.262SS*.SBendcis-93.20.37.535.8-35.3000114.9
458R72Confident87.4Confident215 Ų21549.8 Ų49.881%0.81127%0.27SS*.SBendtrans-131.890.7-174.4-73-172.4178.91800.6110.3A455 V460A455-R458 CarbonylContact O-C 3.5Å; A455-R458 PolarHBondContact O-N 2.72Å; R458-V460 PolarHBondContact O-N 3.13Å
459P81.9Confident87.5Confident35 Ų3548.5 Ų48.523%0.22726%0.261CS..  trans-68.4133.9179.425.4-33000110.4T452 D453 A455T452-P459 HydrophobicContact CG2-CB 4.32Å; D453-P459 WeakPolarHBondContact OD1-CA 3.44Å; A455-P459 VanDerWaalsContact O-CA 3.24Å; A455-P459 WeakPolarHBondContact O-CA 3.41Å
460V86.4Confident87.5Confident87 Ų8753.2 Ų53.253%0.52728%0.279SS..  trans-88.2128.5176.6-178.50000109T452 D453 R458 M462T452-V460 WeakPolarHBondContact CA-O 2.97Å; T452-V460 WeakPolarHBondContact CB-O 3.4Å; D453-V460 PolarHBondContact N-O 2.98Å; D453-V460 PolarHBondContact OD1-N 3.14Å; R458-V460 PolarHBondContact O-N 3.13Å; V460-M462 PolarHBondContact O-N 2.84Å
461V89.4Confident87.6Confident39 Ų3952.6 Ų52.624%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-76.4115.2174.2179.60000108.9H430 L450 T452 I464H430-V461 WeakPolarHBondContact CE1-CG2 3.34Å; H430-V461 WeakPolarHBondContact ND1-CG2 3.21Å; L450-V461 HydrophobicContact CB-CG1 4.29Å; L450-V461 HydrophobicContact CB-CG2 4.42Å; L450-V461 HydrophobicContact CD2-CG1 4.29Å; L450-V461 HydrophobicContact CD2-CG2 3.8Å; T452-V461 HydrophobicContact CG2-CG2 4.04Å; V461-I464 HydrophobicContact CG1-CD1 4Å; V461-I464 HydrophobicContact CG1-CG1 3.53Å
462M90.2Very high87.6Confident81 Ų8156.5 Ų56.540%0.39929%0.294SS..EExtended strand (participates in β ladder)trans-92.3-40.2-178.2-58-178.476.500111.4C374 P377 V451 D453 V460C374-M462 HydrophobicContact CB-SD 3.86Å; C374-M462 WeakPolarHBondContact O-CE 3.49Å; P377-M462 HydrophobicContact CB-CB 3.5Å; P377-M462 VanDerWaalsContact CB-CB 3.5Å; P377-M462 HydrophobicContact CB-CE 4.13Å; P377-M462 HydrophobicContact CB-CG 4.37Å; P377-M462 HydrophobicContact CB-SD 4.02Å; P377-M462 HydrophobicContact CG-CB 4.1Å; P377-M462 HydrophobicContact CG-CE 4.17Å; V451-M462 PolarHBondContact O-N 2.86Å; D453-M462 HydrophobicContact CB-CG 4.38Å; D453-M462 HydrophobicContact CB-SD 3.78Å; V460-M462 PolarHBondContact O-N 2.84Å
463T93.6Very high87.6Confident13 Ų1359.9 Ų59.98%0.0832%0.318CS..EExtended strand (participates in β ladder)trans-142.6144.2178.8-58.70000111P377 K399 V451 Y465P377-T463 VanDerWaalsContact O-CB 3.32Å; P377-T463 WeakPolarHBondContact O-CB 3.49Å; P377-T463 PolarHBondContact O-OG1 3.09Å; K399-T463 HydrophobicContact CD-CG2 4.31Å; V451-T463 PolarHBondContact N-O 2.87Å; V451-T463 PolarHBondContact O-N 3.32Å; T463-Y465 HydrophobicContact CG2-CD2 3.87Å; T463-Y465 HydrophobicContact CG2-CE2 3.38Å
464I95.6Very high87.7Confident82 Ų8259.2 Ų59.242%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-120.8131172.3-58.8170.1000108.3V449 V461V449-I464 CarbonylContact O-C 3.57Å; V449-I464 VanDerWaalsContact O-CA 3.31Å; V449-I464 WeakPolarHBondContact O-CA 3.36Å; V461-I464 HydrophobicContact CG1-CD1 4Å; V461-I464 HydrophobicContact CG1-CG1 3.53Å
465Y97.3Very high88.2Confident1 Ų161.1 Ų61.10%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-109.7142167.1-62.5-104.1000109R378 L379 P396 L398 K399 Y401 V449 V451 T463R378-Y465 VanDerWaalsContact CA-OH 3.25Å; R378-Y465 WeakPolarHBondContact CA-OH 3.38Å; R378-Y465 WeakPolarHBondContact CB-OH 3.35Å; L379-Y465 HydrophobicContact CB-CD2 4.46Å; L379-Y465 HydrophobicContact CB-CE1 4.41Å; L379-Y465 HydrophobicContact CB-CE2 3.98Å; L379-Y465 HydrophobicContact CD1-CD1 4.19Å; L379-Y465 HydrophobicContact CD1-CD2 3.36Å; L379-Y465 HydrophobicContact CD1-CE1 4.47Å; L379-Y465 HydrophobicContact CD1-CE2 3.72Å; L379-Y465 HydrophobicContact CD1-CG 3.63Å; L379-Y465 HydrophobicContact CG-CD2 3.67Å; L379-Y465 HydrophobicContact CG-CE2 3.48Å; L379-Y465 VanDerWaalsContact CG-CE2 3.48Å; L379-Y465 HydrophobicContact CG-CG 4.34Å; L379-Y465 PolarHBondContact N-OH 3.33Å; P396-Y465 PolarHBondContact O-OH 3.25Å; L398-Y465 WeakPolarHBondContact O-CD1 3.49Å; L398-Y465 WeakPolarHBondContact O-CE1 3.3Å; K399-Y465 CarbonylContact O-C 3.51Å; K399-Y465 VanDerWaalsContact O-CA 3.28Å; K399-Y465 WeakPolarHBondContact O-CA 3.18Å; Y401-Y465 HydrophobicContact CE2-CD1 4.08Å; V449-Y465 PolarHBondContact N-O 2.69Å; V449-Y465 PolarHBondContact O-N 3.11Å; V451-Y465 HydrophobicContact CG2-CD2 4.3Å; V451-Y465 HydrophobicContact CG2-CE2 4.14Å; T463-Y465 HydrophobicContact CG2-CD2 3.87Å; T463-Y465 HydrophobicContact CG2-CE2 3.38Å
466T97.4Very high88.8Confident24 Ų2461 Ų6115%0.14732%0.315CS..EExtended strand (participates in β ladder)trans-123.8128.5-179.4-57.90000110.1K399 E400 Y401 Q446 I447 H468K399-T466 PolarHBondContact O-N 3.29Å; E400-T466 WeakPolarHBondContact CA-O 3.28Å; Y401-T466 PolarHBondContact N-O 2.93Å; Q446-T466 HydrophobicContact CG-CG2 3.61Å; I447-T466 WeakPolarHBondContact O-CA 3.16Å; T466-H468 WeakPolarHBondContact CG2-NE2 3.4Å
467V97.2Very high89.5Confident1 Ų157.5 Ų57.51%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-114.1115.6175-173.60000108.4I382 L388 L390 I447 V469I382-V467 HydrophobicContact CD1-CG2 4.01Å; L388-V467 HydrophobicContact CD1-CG1 4.46Å; L390-V467 HydrophobicContact CD2-CG1 3.95Å; I447-V467 HydrophobicContact CB-CB 4.49Å; I447-V467 PolarHBondContact N-O 3.4Å; I447-V467 PolarHBondContact O-N 3.12Å; V467-V469 HydrophobicContact CG1-CG2 4.01Å
468H97.2Very high90Very high40 Ų4055.1 Ų55.119%0.18529%0.286CS..EExtended strand (participates in β ladder)trans-91.4113.8172.5-64.7-78.9000109.1E400 Y401 R402 A403 T444 S445 T466E400-H468 IonicContact OE1-CD2 3.07Å; E400-H468 IonicContact OE1-NE2 2.59Å; Y401-H468 PolarHBondContact O-N 2.99Å; R402-H468 CarbonylContact C-O 3.58Å; R402-H468 VanDerWaalsContact CA-O 3.3Å; R402-H468 WeakPolarHBondContact CA-O 3.42Å; R402-H468 HydrophobicContact CG-CB 4.29Å; A403-H468 PolarHBondContact N-O 3.41Å; T444-H468 HydrophobicContact CG2-CB 3.98Å; S445-H468 CarbonylContact O-C 3.41Å; S445-H468 WeakPolarHBondContact O-CA 3.41Å; T466-H468 WeakPolarHBondContact CG2-NE2 3.4Å
469V97.1Very high89.9Confident0 Ų046.9 Ų46.90%026%0.264CS..EExtended strand (participates in β ladder)trans-104.1107.6178.8-172.70000108.3L388 A403 V405 V440 S445 I447 V467L388-V469 HydrophobicContact CD1-CG2 4.04Å; A403-V469 CarbonylContact O-C 3.55Å; A403-V469 WeakPolarHBondContact O-CA 3.39Å; V405-V469 HydrophobicContact CG1-CG1 3.98Å; V405-V469 HydrophobicContact CG2-CG1 3.88Å; V440-V469 HydrophobicContact CG1-CB 4.31Å; V440-V469 HydrophobicContact CG1-CG1 3.78Å; V440-V469 HydrophobicContact CG2-CG1 4.36Å; S445-V469 PolarHBondContact N-O 2.99Å; S445-V469 PolarHBondContact O-N 3.4Å; I447-V469 HydrophobicContact CD1-CG2 4.01Å; V467-V469 HydrophobicContact CG1-CG2 4.01Å
470Y96.9Very high89.3Confident99 Ų9953.7 Ų53.739%0.38829%0.29SS..EExtended strand (participates in β ladder)trans-87.9115.8173.6-179.9-98.2000109.8A403 E404 V405 G443 E472A403-Y470 PolarHBondContact O-N 3.17Å; E404-Y470 WeakPolarHBondContact CA-O 3.47Å; E404-Y470 HydrophobicContact CG-CD1 4.27Å; V405-Y470 PolarHBondContact N-O 3.46Å; G443-Y470 WeakPolarHBondContact O-CA 3.43Å; Y470-E472 HydrophobicContact CE1-CG 4.2Å
471R96.4Very high88.5Confident0 Ų052.5 Ų52.50%030%0.296CS..EExtended strand (participates in β ladder)trans-97.7123.8172.9180177.4174.7-144.2-15.1110.1V405 F407 T409 V440 G441 G443 K742V405-R471 HydrophobicContact CG2-CB 3.8Å; V405-R471 HydrophobicContact CG2-CG 4.1Å; F407-R471 PolarHBondContact O-NE 2.91Å; F407-R471 PolarHBondContact O-NH2 3.3Å; T409-R471 VanDerWaalsContact O-CD 3.25Å; T409-R471 WeakPolarHBondContact O-CD 3.22Å; T409-R471 PolarHBondContact O-NE 2.89Å; V440-R471 HydrophobicContact CG1-CB 3.69Å; V440-R471 HydrophobicContact CG1-CG 4.47Å; V440-R471 WeakPolarHBondContact O-CD 3.28Å; V440-R471 PolarHBondContact O-NH1 2.88Å; G441-R471 WeakPolarHBondContact O-CB 3.07Å; G443-R471 PolarHBondContact N-O 2.89Å; G443-R471 PolarHBondContact O-N 3.25Å; R471-K742 VanDerWaalsContact CZ-O 3.31Å; R471-K742 PolarHBondContact NH1-O 3.49Å; R471-K742 PolarHBondContact NH2-O 3.32Å
472E93.8Very high88Confident81 Ų8158.5 Ų58.538%0.37933%0.326SS..PPolyproline II helixtrans-61.4149.3179.7-65.9178.6166.500111.9V405 Y470V405-E472 PolarHBondContact O-N 3.31Å; Y470-E472 HydrophobicContact CE1-CG 4.2Å
473S89.5Confident87.9Confident72 Ų7259.3 Ų59.350%0.50333%0.329SS..PPolyproline II helixtrans-69.7163.4165.1-640000110
474R87.6Confident87.7Confident33 Ų3362 Ų6213%0.12535%0.345CS..PPolyproline II helixtrans-57.6131.1176.5-168.6175.9-79.1-129.51109.9F407 S476 D491 W541F407-R474 HydrophobicContact CD1-CB 4.38Å; F407-R474 HydrophobicContact CD1-CG 4.28Å; F407-R474 HydrophobicContact CD2-CB 3.98Å; F407-R474 HydrophobicContact CE1-CB 4.45Å; F407-R474 HydrophobicContact CE1-CG 4.35Å; F407-R474 HydrophobicContact CE2-CB 4.04Å; F407-R474 HydrophobicContact CG-CB 4.14Å; F407-R474 HydrophobicContact CG-CG 4.47Å; F407-R474 HydrophobicContact CZ-CB 4.28Å; R474-S476 PolarHBondContact O-N 3.13Å; R474-D491 IonicContact NH2-OD2 3.82Å; R474-W541 HydrophobicContact CB-CB 4.49Å; R474-W541 HydrophobicContact CB-CG 4.31Å; R474-W541 VanDerWaalsContact CD-CG 3.41Å; R474-W541 HydrophobicContact CG-CD2 4.11Å; R474-W541 HydrophobicContact CG-CG 3.9Å
475P84.1Confident87.6Confident73 Ų7360.1 Ų60.147%0.47434%0.338SS..PPolyproline II helixtrans-54.6127.9176.6-25.433.5000110.1
476S85.2Confident87.5Confident40 Ų4060.1 Ų60.128%0.2834%0.337SS..  trans-125.6125.3-175.2-157.50000109.7R474 D540 W541 R542R474-S476 PolarHBondContact O-N 3.13Å; S476-D540 PolarHBondContact OG-OD1 3.45Å; S476-W541 PolarHBondContact OG-N 3.23Å; S476-R542 PolarHBondContact OG-N 3.08Å
477L81.3Confident87.3Confident91 Ų9159.2 Ų59.248%0.47633%0.332SS..  trans-99.1123.7171.6-88.6170.3000108.5A479 R537 C539 D540L477-A479 PolarHBondContact O-N 2.95Å; L477-R537 WeakPolarHBondContact CD1-O 3.32Å; L477-C539 PolarHBondContact N-O 2.84Å; L477-C539 VanDerWaalsContact N-O 3.13Å; L477-D540 VanDerWaalsContact O-CA 3.27Å; L477-D540 WeakPolarHBondContact O-CA 3.41Å; L477-D540 WeakPolarHBondContact O-CB 3.41Å
478P79.5Confident87.2Confident51 Ų5159.7 Ų59.733%0.33133%0.334SS..  trans-56.5126.6174.2-22.131.2000111.6F480 D540P478-F480 HydrophobicContact CB-CD2 3.99Å; P478-F480 HydrophobicContact CB-CE1 4.48Å; P478-F480 HydrophobicContact CB-CE2 3.43Å; P478-F480 VanDerWaalsContact CB-CE2 3.43Å; P478-F480 HydrophobicContact CB-CZ 3.7Å; P478-F480 HydrophobicContact CG-CE2 4.09Å; P478-F480 HydrophobicContact CG-CZ 4.44Å; P478-F480 PolarHBondContact O-N 3.13Å; P478-F480 VanDerWaalsContact O-N 3.1Å; P478-D540 WeakPolarHBondContact CA-OD2 3.08Å
479A71.3Confident87Confident42 Ų4259.8 Ų59.835%0.34734%0.336SS..  trans-72.5104.3176.400000109.6L477 P529 D540L477-A479 PolarHBondContact O-N 2.95Å; A479-P529 HydrophobicContact CB-CB 4.34Å; A479-P529 HydrophobicContact CB-CG 4.36Å; A479-D540 HydrophobicContact CB-CB 4.07Å; A479-D540 PolarHBondContact N-OD2 3.26Å; A479-D540 VanDerWaalsContact N-OD2 3.16Å
480F67.3Low86.8Confident177 Ų17759.8 Ų59.878%0.77634%0.336SS*.  trans-113.9126.3170.3-59.8-67.2000109.2P478P478-F480 HydrophobicContact CB-CD2 3.99Å; P478-F480 HydrophobicContact CB-CE1 4.48Å; P478-F480 HydrophobicContact CB-CE2 3.43Å; P478-F480 VanDerWaalsContact CB-CE2 3.43Å; P478-F480 HydrophobicContact CB-CZ 3.7Å; P478-F480 HydrophobicContact CG-CE2 4.09Å; P478-F480 HydrophobicContact CG-CZ 4.44Å; P478-F480 PolarHBondContact O-N 3.13Å; P478-F480 VanDerWaalsContact O-N 3.1Å
481G70.1Confident86.6Confident63 Ų6356.3 Ų56.365%0.64932%0.324SS*.SBendtrans83.7-149.4176.100000115.3H483G481-H483 PolarHBondContact O-N 2.96Å; G481-H483 PolarHBondContact O-ND1 3.39Å
482D79.1Confident86.4Confident165 Ų16559.4 Ų59.488%0.88235%0.345SS*.SBendtrans-65.6117.8-179.7-67.5-27.9000110.6
483H87.4Confident86.2Confident98 Ų9858.3 Ų58.345%0.45436%0.356SS..  trans-130.2150.9179.358.3-80.4000110G481G481-H483 PolarHBondContact O-N 2.96Å; G481-H483 PolarHBondContact O-ND1 3.39Å
484V90.9Very high86.3Confident68 Ų6856 Ų5641%0.41234%0.337SS..EExtended strand (participates in β ladder)trans-94.3140.4168.8-64.90000109.4C530V484-C530 VanDerWaalsContact CG2-O 3.26Å; V484-C530 WeakPolarHBondContact CG2-O 3.27Å; V484-C530 PolarHBondContact N-O 2.95Å; V484-C530 PolarHBondContact O-N 3.41Å; V484-C530 VanDerWaalsContact O-O 3.09Å
485T92.7Very high86.6Confident44 Ų4460.8 Ų60.827%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-83.4122.7171.9-54.80000108.5H507 V527T485-H507 HydrophobicContact CG2-CB 4.16Å; T485-H507 WeakPolarHBondContact O-CB 3.4Å; T485-H507 PolarHBondContact O-N 3.4Å; T485-V527 HydrophobicContact CG2-CG1 3.23Å
486C94.7Very high87.1Confident0 Ų057.4 Ų57.40%033%0.333CS..EExtended strand (participates in β ladder)trans-111.1151.6177.2-55.70000110.2L504 Q505 V527 V528 C533C486-L504 HydrophobicContact CB-CB 4.34Å; C486-L504 HydrophobicContact CB-CD2 3.87Å; C486-Q505 CarbonylContact C-O 3.5Å; C486-Q505 VanDerWaalsContact CA-O 3.25Å; C486-Q505 WeakPolarHBondContact CA-O 3.49Å; C486-V527 CarbonylContact O-C 3.54Å; C486-V527 VanDerWaalsContact O-CA 3.3Å; C486-V527 WeakPolarHBondContact O-CA 3.18Å; C486-V528 HydrophobicContact CB-CG1 4.38Å; C486-V528 PolarHBondContact N-O 2.95Å; C486-V528 PolarHBondContact O-N 3.47Å; C486-C533 HydrophobicContact CB-CB 3.91Å; C486-C533 WeakPolarHBondContact CB-SG 3.26Å; C486-C533 WeakPolarHBondContact SG-CA 3.1Å; C486-C533 WeakPolarHBondContact SG-CB 3.33Å; C486-C533 PolarHBondContact SG-N 3.46Å; C486-C533 CovalentContact SG-SG 2.03Å; C486-C533 PolarHBondContact SG-SG 2.9Å
487S94.9Very high87.5Confident6 Ų657.8 Ų57.84%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-136.1157.3174.969.60000112.7Q505 W526S487-Q505 PolarHBondContact N-O 3.02Å; S487-Q505 PolarHBondContact O-N 3.35Å; S487-W526 CarbonylContact C-O 3.56Å; S487-W526 WeakPolarHBondContact CA-O 3.37Å; S487-W526 VanDerWaalsContact CB-O 3.28Å; S487-W526 WeakPolarHBondContact CB-O 3.09Å
488F95Very high87.9Confident10 Ų1058 Ų584%0.04434%0.338CS..EExtended strand (participates in β ladder)trans-152.1145.9176.464.1-78.4000111.6G503 L504 W526 V528 W541 V544 G739 R740F488-G503 WeakPolarHBondContact CB-O 3.49Å; F488-L504 HydrophobicContact CD1-CD2 3.57Å; F488-L504 HydrophobicContact CE1-CD2 4.17Å; F488-L504 HydrophobicContact CG-CD2 4.36Å; F488-W526 HydrophobicContact CD1-CB 3.82Å; F488-W526 HydrophobicContact CD2-CB 4.23Å; F488-W526 HydrophobicContact CE1-CB 3.36Å; F488-W526 HydrophobicContact CE1-CG 4.3Å; F488-W526 HydrophobicContact CE2-CB 3.8Å; F488-W526 AromaticContact CE2-CD1 3.95Å; F488-W526 HydrophobicContact CE2-CG 4.04Å; F488-W526 HydrophobicContact CG-CB 4.23Å; F488-W526 HydrophobicContact CZ-CB 3.34Å; F488-W526 AromaticContact CZ-CG 3.8Å; F488-W526 HydrophobicContact CZ-CG 3.8Å; F488-W526 PolarHBondContact N-O 3.13Å; F488-W526 PolarHBondContact O-N 2.82Å; F488-V528 HydrophobicContact CE1-CG1 4.35Å; F488-W541 AromaticContact CE1-CH2 3.8Å; F488-W541 HydrophobicContact CE1-CH2 3.8Å; F488-W541 AromaticContact CE1-CZ3 3.62Å; F488-W541 HydrophobicContact CE1-CZ3 3.62Å; F488-W541 HydrophobicContact CZ-CH2 4.05Å; F488-W541 AromaticContact CZ-CZ3 3.66Å; F488-W541 HydrophobicContact CZ-CZ3 3.66Å; F488-V544 HydrophobicContact CE1-CG2 4.47Å; F488-G739 WeakPolarHBondContact CE2-O 3.39Å; F488-R740 HydrophobicContact CE2-CG 4.25Å; F488-R740 HydrophobicContact CZ-CG 4.24Å
489L93Very high88.5Confident42 Ų4259.3 Ų59.322%0.2236%0.361CS..SBendtrans-98-42.1175.8-69.2170.3000111.8G524 R525 M738 G739L489-G524 WeakPolarHBondContact CD2-O 3.36Å; L489-R525 HydrophobicContact CD2-CB 3.71Å; L489-R525 HydrophobicContact CG-CB 4.39Å; L489-M738 VanDerWaalsContact O-CE 3.29Å; L489-M738 WeakPolarHBondContact O-CE 3.41Å; L489-G739 WeakPolarHBondContact O-CA 3.37Å; L489-G739 PolarHBondContact O-N 2.81Å
490Q92.6Very high89.5Confident0 Ų064.9 Ų64.90%037%0.373CS..SBendtrans-142147.6-17559.9-172.1-26.900110.4Q497 R500 S501 C502 G503 M738Q490-Q497 PolarHBondContact NE2-O 2.83Å; Q490-R500 PolarHBondContact NE2-O 3Å; Q490-R500 VanDerWaalsContact NE2-O 3.13Å; Q490-S501 WeakPolarHBondContact CG-O 3.43Å; Q490-S501 PolarHBondContact NE2-O 3.19Å; Q490-C502 HydrophobicContact CG-CB 3.87Å; Q490-C502 WeakPolarHBondContact O-CA 3.32Å; Q490-G503 PolarHBondContact O-N 2.94Å; Q490-M738 HydrophobicContact CB-CE 4.17Å; Q490-M738 HydrophobicContact CB-CG 4.29Å; Q490-M738 HydrophobicContact CB-SD 4.44Å
491D92.2Very high90.7Very high27 Ų2758.8 Ų58.814%0.14435%0.352CS..  trans-78.3143.7174.3-176.6-72.9000110.3R474 G493 M494 Y741 K742R474-D491 IonicContact NH2-OD2 3.82Å; D491-G493 PolarHBondContact O-N 3.3Å; D491-G493 WeakPolarHBondContact OD1-CA 3.28Å; D491-G493 PolarHBondContact OD1-N 2.84Å; D491-M494 CarbonylContact O-C 2.98Å; D491-M494 PolarHBondContact O-N 2.77Å; D491-M494 VanDerWaalsContact O-N 3.1Å; D491-Y741 HydrophobicContact CB-CD1 4.23Å; D491-Y741 HydrophobicContact CB-CE1 3.82Å; D491-K742 IonicContact OD1-NZ 2.75Å; D491-K742 IonicContact OD2-NZ 3.45Å
492C92.1Very high91.8Very high64 Ų6456.8 Ų56.843%0.43233%0.328SS..THydrogen-bonded Turntrans-68.9-19.2-176.5-70.50000114.1M494 C502 G503C492-M494 PolarHBondContact O-N 2.97Å; C492-C502 WeakPolarHBondContact CA-SG 3.33Å; C492-C502 HydrophobicContact CB-CB 3.98Å; C492-C502 WeakPolarHBondContact CB-SG 3.27Å; C492-C502 WeakPolarHBondContact SG-CB 3.2Å; C492-C502 PolarHBondContact SG-O 3.13Å; C492-C502 CovalentContact SG-SG 2.05Å; C492-C502 PolarHBondContact SG-SG 2.02Å; C492-G503 PolarHBondContact SG-N 3.17Å; C492-G503 VanDerWaalsContact SG-N 3.42Å
493G90.4Very high92.5Very high59 Ų5950 Ų5061%0.60830%0.296SS*.THydrogen-bonded Turntrans-70.4-16.7171.900000113.6D491D491-G493 PolarHBondContact O-N 3.3Å; D491-G493 WeakPolarHBondContact OD1-CA 3.28Å; D491-G493 PolarHBondContact OD1-N 2.84Å
494M91.2Very high92.8Very high22 Ų2246.7 Ų46.711%0.10828%0.282CS..SBendtrans-145.383.4179.9-166.7171.9-70.300111.5D491 C492 V496 M692 H695 L706 I709 Y741D491-M494 CarbonylContact O-C 2.98Å; D491-M494 PolarHBondContact O-N 2.77Å; D491-M494 VanDerWaalsContact O-N 3.1Å; C492-M494 PolarHBondContact O-N 2.97Å; M494-V496 HydrophobicContact CG-CG2 4.24Å; M494-V496 PolarHBondContact O-N 2.85Å; M494-M692 HydrophobicContact SD-SD 4.32Å; M494-H695 HydrophobicContact CE-CB 3.55Å; M494-H695 HydrophobicContact SD-CB 4.13Å; M494-L706 HydrophobicContact CG-CD1 4.07Å; M494-I709 HydrophobicContact CE-CD1 4.26Å; M494-I709 HydrophobicContact SD-CD1 3.89Å; M494-Y741 HydrophobicContact CB-CD1 4.06Å; M494-Y741 HydrophobicContact CB-CE1 3.47Å; M494-Y741 VanDerWaalsContact CB-CE1 3.47Å; M494-Y741 HydrophobicContact CE-CD2 3.99Å; M494-Y741 HydrophobicContact CE-CE1 4.47Å; M494-Y741 HydrophobicContact CE-CE2 3.63Å; M494-Y741 HydrophobicContact SD-CD1 4.3Å; M494-Y741 HydrophobicContact SD-CD2 4.24Å; M494-Y741 HydrophobicContact SD-CE1 4.4Å; M494-Y741 HydrophobicContact SD-CE2 4.33Å; M494-Y741 HydrophobicContact SD-CG 4.21Å
495R93.7Very high93Very high134 Ų13447.4 Ų47.451%0.50628%0.281SS..  trans-7986.7179.5-64.8-176179.9-173.9-2.5111.9C502 R710R495-C502 HydrophobicContact CG-CB 4.2Å; R495-C502 PolarHBondContact NE-SG 3.4Å; R495-C502 PolarHBondContact NH2-SG 3.3Å; R495-R710 PolarHBondContact O-NE 3.05Å; R495-R710 VanDerWaalsContact O-NE 3.13Å; R495-R710 PolarHBondContact O-NH2 2.79Å
496V94.4Very high93Very high3 Ų350.6 Ų50.62%0.01830%0.302CS..SBendtrans-70.1-40.1176.1-177.10000111.5M494 P498 I709 R710 F713 F734 M738M494-V496 HydrophobicContact CG-CG2 4.24Å; M494-V496 PolarHBondContact O-N 2.85Å; V496-P498 VanDerWaalsContact O-CD 3.28Å; V496-P498 WeakPolarHBondContact O-CD 3.26Å; V496-I709 HydrophobicContact CG1-CG2 4.38Å; V496-I709 HydrophobicContact CG2-CG2 3.82Å; V496-R710 WeakPolarHBondContact O-CG 3.38Å; V496-F713 HydrophobicContact CG1-CB 3.69Å; V496-F713 HydrophobicContact CG1-CD2 4.37Å; V496-F713 HydrophobicContact CG1-CG 3.97Å; V496-F734 HydrophobicContact CG1-CE1 4.09Å; V496-F734 HydrophobicContact CG1-CZ 4.33Å; V496-M738 HydrophobicContact CB-CG 4.11Å; V496-M738 HydrophobicContact CB-SD 3.57Å; V496-M738 VanDerWaalsContact CB-SD 3.57Å; V496-M738 HydrophobicContact CG1-SD 3.87Å; V496-M738 HydrophobicContact CG2-CG 3.77Å; V496-M738 HydrophobicContact CG2-SD 3.94Å
497Q94.1Very high92.9Very high47 Ų4751.7 Ų51.722%0.2231%0.307CS..SBendtrans-107.895.1176.2-69.7-174.36800109.9Q490 G499 R500 F713Q490-Q497 PolarHBondContact NE2-O 2.83Å; Q497-G499 VanDerWaalsContact C-N 3.25Å; Q497-G499 PolarHBondContact O-N 2.75Å; Q497-R500 HydrophobicContact CB-CB 4.11Å; Q497-R500 HydrophobicContact CB-CG 4.13Å; Q497-R500 PolarHBondContact O-N 3.11Å; Q497-R500 VanDerWaalsContact O-N 3.14Å; Q497-F713 VanDerWaalsContact CD-CZ 3.4Å; Q497-F713 HydrophobicContact CG-CD1 4.13Å; Q497-F713 HydrophobicContact CG-CE1 3.63Å; Q497-F713 HydrophobicContact CG-CZ 3.85Å; Q497-F713 VanDerWaalsContact NE2-CZ 3.32Å
498P90.1Very high92.4Very high96 Ų9658.9 Ų58.962%0.62334%0.344SS*.THydrogen-bonded Turntrans-64.2-27.1-173.924.1-33.4000113.9V496 R500V496-P498 VanDerWaalsContact O-CD 3.28Å; V496-P498 WeakPolarHBondContact O-CD 3.26Å; P498-R500 VanDerWaalsContact C-N 3.3Å; P498-R500 PolarHBondContact O-N 2.94Å
499G91.6Very high91.3Very high79 Ų7962.3 Ų62.381%0.81437%0.367SS*.THydrogen-bonded Turntrans-82.92.1177.600000115.1Q497Q497-G499 VanDerWaalsContact C-N 3.25Å; Q497-G499 PolarHBondContact O-N 2.75Å
500R92.4Very high90.3Very high159 Ų15963 Ų6360%0.638%0.375SS*.SBendtrans-115.2153.9177.4-66-67.5-169.8168.61.5109.9Q490 Q497 P498Q490-R500 PolarHBondContact NE2-O 3Å; Q490-R500 VanDerWaalsContact NE2-O 3.13Å; Q497-R500 HydrophobicContact CB-CB 4.11Å; Q497-R500 HydrophobicContact CB-CG 4.13Å; Q497-R500 PolarHBondContact O-N 3.11Å; Q497-R500 VanDerWaalsContact O-N 3.14Å; P498-R500 VanDerWaalsContact C-N 3.3Å; P498-R500 PolarHBondContact O-N 2.94Å
501S92Very high88.9Confident48 Ų4872.6 Ų72.634%0.33642%0.42SS..  trans-59.1154.9171.7450000112Q490 Q505Q490-S501 WeakPolarHBondContact CG-O 3.43Å; Q490-S501 PolarHBondContact NE2-O 3.19Å; S501-Q505 PolarHBondContact OG-NE2 3.16Å; S501-Q505 PolarHBondContact OG-OE1 3.37Å
502C93.7Very high87.4Confident22 Ų2275.5 Ų75.515%0.14944%0.442CS..  trans-122.9159.9170.671.30000109.6Q490 C492 R495Q490-C502 HydrophobicContact CG-CB 3.87Å; Q490-C502 WeakPolarHBondContact O-CA 3.32Å; C492-C502 WeakPolarHBondContact CA-SG 3.33Å; C492-C502 HydrophobicContact CB-CB 3.98Å; C492-C502 WeakPolarHBondContact CB-SG 3.27Å; C492-C502 WeakPolarHBondContact SG-CB 3.2Å; C492-C502 PolarHBondContact SG-O 3.13Å; C492-C502 CovalentContact SG-SG 2.05Å; C492-C502 PolarHBondContact SG-SG 2.02Å; R495-C502 HydrophobicContact CG-CB 4.2Å; R495-C502 PolarHBondContact NE-SG 3.4Å; R495-C502 PolarHBondContact NH2-SG 3.3Å
503G93.1Very high86Confident21 Ų2178.6 Ų78.622%0.21646%0.461CS..SBendtrans73.8-174.4-178.700000112.8F488 Q490 C492F488-G503 WeakPolarHBondContact CB-O 3.49Å; Q490-G503 PolarHBondContact O-N 2.94Å; C492-G503 PolarHBondContact SG-N 3.17Å; C492-G503 VanDerWaalsContact SG-N 3.42Å
504L94.4Very high85.3Confident30 Ų3078.7 Ų78.716%0.15745%0.447CS..  trans-72.6137.7-175.6-69.5166.8000111.5C486 F488 V528 C533 N536 C539 W541C486-L504 HydrophobicContact CB-CB 4.34Å; C486-L504 HydrophobicContact CB-CD2 3.87Å; F488-L504 HydrophobicContact CD1-CD2 3.57Å; F488-L504 HydrophobicContact CE1-CD2 4.17Å; F488-L504 HydrophobicContact CG-CD2 4.36Å; L504-V528 HydrophobicContact CD2-CG1 3.5Å; L504-C533 HydrophobicContact CB-CB 4.23Å; L504-C533 WeakPolarHBondContact CB-O 3.45Å; L504-N536 HydrophobicContact CD1-CB 3.86Å; L504-C539 WeakPolarHBondContact CD1-SG 3.31Å; L504-W541 HydrophobicContact CD1-CZ2 4.19Å; L504-W541 HydrophobicContact CD2-CH2 4.23Å
505Q94.5Very high85.2Confident83 Ų8384.8 Ų84.839%0.38848%0.476SS..EExtended strand (participates in β ladder)trans-136148.5175.6-56.9-164.8-59.900110.2C486 S487 S501 H507C486-Q505 CarbonylContact C-O 3.5Å; C486-Q505 VanDerWaalsContact CA-O 3.25Å; C486-Q505 WeakPolarHBondContact CA-O 3.49Å; S487-Q505 PolarHBondContact N-O 3.02Å; S487-Q505 PolarHBondContact O-N 3.35Å; S501-Q505 PolarHBondContact OG-NE2 3.16Å; S501-Q505 PolarHBondContact OG-OE1 3.37Å; Q505-H507 PolarHBondContact O-N 2.84Å
506P93.7Very high85.1Confident111 Ų11181.9 Ų81.972%0.72147%0.474SS*.EExtended strand (participates in β ladder)trans-52.9132172.4-25.634.9000111.4C533P506-C533 HydrophobicContact CG-CB 4.42Å
507H91.3Very high85Confident22 Ų2282 Ų8210%0.10248%0.475CS..  trans-119.4122.4-179.6-175.556.4000109.8T485 Q505T485-H507 HydrophobicContact CG2-CB 4.16Å; T485-H507 WeakPolarHBondContact O-CB 3.4Å; T485-H507 PolarHBondContact O-N 3.4Å; Q505-H507 PolarHBondContact O-N 2.84Å
508L84.2Confident84.8Confident157 Ų15785.1 Ų85.182%0.82250%0.502SS*.PPolyproline II helixtrans-92120171.5-66.5173.9000108.3
509P73Confident85Confident82 Ų8281.3 Ų81.353%0.53248%0.478SS..PPolyproline II helixtrans-63.7149.917724.2-30.7000110.7
510P70.8Confident85.1Confident58 Ų5877.8 Ų77.838%0.37744%0.441SS..PPolyproline II helixtrans-60.5137.4177.5-21.333.1000111.6I514P510-I514 HydrophobicContact CB-CD1 4.04Å; P510-I514 HydrophobicContact CB-CG1 4.23Å; P510-I514 HydrophobicContact CG-CD1 3.76Å; P510-I514 HydrophobicContact CG-CG1 4.44Å
511Q63.5Low85.2Confident201 Ų20172.1 Ų72.194%0.93942%0.421SS*.SBendtrans-81.9-11.6-179.3-66.8-174.3-900113.9
512S61.7Low85.3Confident88 Ų8871.3 Ų71.362%0.61541%0.414SS*.SBendtrans-110.3152.6-172-55.90000112.3I514S512-I514 WeakPolarHBondContact O-CG1 3.42Å; S512-I514 PolarHBondContact O-N 2.99Å; S512-I514 VanDerWaalsContact O-N 3.07Å
513P61.8Low85.3Confident129 Ų12974.2 Ų74.284%0.83843%0.433SS*.  trans-61.6115.4173.924.1-31.2000110.1
514I76.9Confident85.2Confident60 Ų6073.4 Ų73.431%0.30843%0.425SS..PPolyproline II helixtrans-76130.6-175.7-55.4178.2000108.5P510 S512 Y552P510-I514 HydrophobicContact CB-CD1 4.04Å; P510-I514 HydrophobicContact CB-CG1 4.23Å; P510-I514 HydrophobicContact CG-CD1 3.76Å; P510-I514 HydrophobicContact CG-CG1 4.44Å; S512-I514 WeakPolarHBondContact O-CG1 3.42Å; S512-I514 PolarHBondContact O-N 2.99Å; S512-I514 VanDerWaalsContact O-N 3.07Å; I514-Y552 HydrophobicContact CB-CD1 4.23Å; I514-Y552 HydrophobicContact CG2-CD1 3.96Å; I514-Y552 WeakPolarHBondContact O-CD1 3.37Å; I514-Y552 WeakPolarHBondContact O-CE1 3.44Å
515Q88.7Confident85.2Confident151 Ų15175.6 Ų75.671%0.70643%0.431SS*.EExtended strand (participates in β ladder)trans-83.4158.1176.7-68.4-172.1-7.600111.9C517 C551 Y552Q515-C517 PolarHBondContact O-N 3.31Å; Q515-C551 WeakPolarHBondContact O-CA 3.21Å; Q515-C551 WeakPolarHBondContact O-CB 3.31Å; Q515-Y552 WeakPolarHBondContact O-CD1 3.26Å; Q515-Y552 PolarHBondContact O-N 2.87Å; Q515-Y552 VanDerWaalsContact O-N 3.08Å
516P91.1Very high85.3Confident72 Ų7271.7 Ų71.747%0.46841%0.412SS..EExtended strand (participates in β ladder)trans-58.4134.3171-2333.4000111.1Y552 P554P516-Y552 CarbonylContact C-O 3.58Å; P516-Y552 WeakPolarHBondContact CA-O 3.17Å; P516-Y552 HydrophobicContact CG-CE1 4.01Å; P516-P554 HydrophobicContact CB-CG 4.41Å
517C92.3Very high85.3Confident6 Ų666.8 Ų66.84%0.04138%0.381CS..PPolyproline II helixtrans-56145.2177.7-63.10000111Q515 V522 C551 Y552 H553 R815Q515-C517 PolarHBondContact O-N 3.31Å; C517-V522 HydrophobicContact CB-CG2 4.28Å; C517-C551 WeakPolarHBondContact CA-SG 3.46Å; C517-C551 HydrophobicContact CB-CB 3.83Å; C517-C551 WeakPolarHBondContact CB-SG 3.22Å; C517-C551 WeakPolarHBondContact SG-CB 3.08Å; C517-C551 CovalentContact SG-SG 2.03Å; C517-C551 PolarHBondContact SG-SG 2.88Å; C517-Y552 PolarHBondContact N-O 2.88Å; C517-Y552 PolarHBondContact SG-N 3.33Å; C517-Y552 VanDerWaalsContact SG-N 3.38Å; C517-Y552 PolarHBondContact SG-O 2.93Å; C517-Y552 VanDerWaalsContact SG-O 3.4Å; C517-H553 VanDerWaalsContact CB-CE1 3.46Å; C517-H553 WeakPolarHBondContact CB-CE1 3.34Å; C517-R815 PolarHBondContact O-NH1 2.99Å
518S90.9Very high85.5Confident112 Ų11265.8 Ų65.878%0.78338%0.376SS*.SBendtrans-84.2-18177.256.50000113.6
519S93.3Very high86Confident17 Ų1759.3 Ų59.312%0.11934%0.343CS..SBendtrans-154.2164.1-177.5176.80000111H521 V522 H553 E729S519-H521 PolarHBondContact OG-CE1 3.4Å; S519-H521 PolarHBondContact OG-ND1 2.9Å; S519-V522 WeakPolarHBondContact O-CG2 3.42Å; S519-H553 PolarHBondContact O-CE1 2.6Å; S519-E729 PolarHBondContact OG-OE1 3.48Å
520G94.1Very high86.9Confident4 Ų455.5 Ų55.54%0.04132%0.318CS..BIsolated β-bridgetrans-84-4.8-17700000116.1E729 A730 D732G520-E729 PolarHBondContact N-OE1 3.48Å; G520-A730 CarbonylContact C-O 3.43Å; G520-A730 WeakPolarHBondContact CA-O 3.27Å; G520-A730 PolarHBondContact N-O 2.81Å; G520-D732 PolarHBondContact O-N 2.83Å
521H94.9Very high87.9Confident40 Ų4057.9 Ų57.919%0.18533%0.328CS..THydrogen-bonded Turntrans-105.916.9-176.971.2-82.9000113.3S519 I720 A730 D732S519-H521 PolarHBondContact OG-CE1 3.4Å; S519-H521 PolarHBondContact OG-ND1 2.9Å; H521-I720 HydrophobicContact CB-CD1 4.34Å; H521-I720 HydrophobicContact CB-CG2 4Å; H521-I720 VanDerWaalsContact CD2-CG2 3.43Å; H521-I720 WeakPolarHBondContact CD2-CG2 3.34Å; H521-A730 HydrophobicContact CB-CB 4.18Å; H521-A730 PolarHBondContact N-O 3.23Å; H521-D732 HydrophobicContact CB-CB 3.96Å
522V94.3Very high89.2Confident32 Ų3250.3 Ų50.319%0.19430%0.297CS..  trans-64.1133.5-179.6-176.40000109.3C517 S519 P548C517-V522 HydrophobicContact CB-CG2 4.28Å; S519-V522 WeakPolarHBondContact O-CG2 3.42Å; V522-P548 HydrophobicContact CG1-CB 4.25Å
523P92.6Very high90.6Very high82 Ų8247 Ų4753%0.53227%0.273SS..  trans-55.2150.3174.6-26.135.3000112.5P548 D549P523-P548 CarbonylContact O-C 3.56Å; P523-P548 VanDerWaalsContact O-CA 3.3Å; P523-P548 WeakPolarHBondContact O-CA 3.1Å; P523-D549 PolarHBondContact O-N 3.27Å
524G92.4Very high92Very high5 Ų546.1 Ų46.15%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-166-177.2-179.600000112.1L489 W546 Q547L489-G524 WeakPolarHBondContact CD2-O 3.36Å; G524-W546 VanDerWaalsContact C-CZ2 3.45Å; G524-W546 VanDerWaalsContact CA-CZ2 3.49Å; G524-W546 WeakPolarHBondContact O-CH2 3.3Å; G524-Q547 CarbonylContact C-O 3.41Å; G524-Q547 WeakPolarHBondContact CA-O 3.21Å
525R94.1Very high92.5Very high76 Ų7645.3 Ų45.329%0.28727%0.267SS..EExtended strand (participates in β ladder)trans-142.9156.6-177.963-164.874.3-176.55.5111.2L489 V527 Q547 D549L489-R525 HydrophobicContact CD2-CB 3.71Å; L489-R525 HydrophobicContact CG-CB 4.39Å; R525-V527 HydrophobicContact CG-CG2 4.01Å; R525-Q547 PolarHBondContact N-O 3.31Å; R525-Q547 PolarHBondContact O-N 2.72Å; R525-D549 IonicContact CZ-OD1 3.71Å; R525-D549 VanDerWaalsContact CZ-OD1 3.3Å; R525-D549 IonicContact NE-OD1 3.47Å; R525-D549 PolarHBondContact NE-OD1 2.93Å; R525-D549 IonicContact NH2-OD1 2.79Å; R525-D549 PolarHBondContact NH2-OD1 2.96Å; R525-D549 IonicContact NH2-OD2 2.78Å
526W95.7Very high92.5Very high0 Ų041.7 Ų41.70%025%0.252CS..EExtended strand (participates in β ladder)trans-78.3135.3167.9-71.4102.1000109.3S487 F488 V544 T545 W546 I736 R740 V804 V807S487-W526 CarbonylContact C-O 3.56Å; S487-W526 WeakPolarHBondContact CA-O 3.37Å; S487-W526 VanDerWaalsContact CB-O 3.28Å; S487-W526 WeakPolarHBondContact CB-O 3.09Å; F488-W526 HydrophobicContact CD1-CB 3.82Å; F488-W526 HydrophobicContact CD2-CB 4.23Å; F488-W526 HydrophobicContact CE1-CB 3.36Å; F488-W526 HydrophobicContact CE1-CG 4.3Å; F488-W526 HydrophobicContact CE2-CB 3.8Å; F488-W526 AromaticContact CE2-CD1 3.95Å; F488-W526 HydrophobicContact CE2-CG 4.04Å; F488-W526 HydrophobicContact CG-CB 4.23Å; F488-W526 HydrophobicContact CZ-CB 3.34Å; F488-W526 AromaticContact CZ-CG 3.8Å; F488-W526 HydrophobicContact CZ-CG 3.8Å; F488-W526 PolarHBondContact N-O 3.13Å; F488-W526 PolarHBondContact O-N 2.82Å; W526-V544 HydrophobicContact CB-CG2 4.47Å; W526-V544 HydrophobicContact CE3-CG2 3.87Å; W526-T545 WeakPolarHBondContact CA-O 3.03Å; W526-T545 VanDerWaalsContact CE3-C 3.42Å; W526-W546 AromaticContact CD1-CE3 3.79Å; W526-W546 AromaticContact CD1-CZ3 3.85Å; W526-W546 HydrophobicContact CD2-CB 4.44Å; W526-W546 AromaticContact CD2-CE3 3.92Å; W526-W546 HydrophobicContact CD2-CE3 3.92Å; W526-W546 AromaticContact CE2-CE3 3.72Å; W526-W546 HydrophobicContact CE3-CB 4.05Å; W526-W546 AromaticContact CG-CE3 3.99Å; W526-W546 HydrophobicContact CG-CE3 3.99Å; W526-W546 HydrophobicContact CG-CZ3 4.42Å; W526-W546 HydrophobicContact CH2-CB 4.1Å; W526-W546 HydrophobicContact CZ2-CB 4.44Å; W526-W546 HydrophobicContact CZ2-CE3 4.32Å; W526-W546 HydrophobicContact CZ3-CB 3.87Å; W526-W546 AromaticContact NE1-CE3 3.61Å; W526-W546 AromaticContact NE1-CZ3 3.81Å; W526-I736 HydrophobicContact CH2-CG2 4.33Å; W526-I736 HydrophobicContact CZ2-CG2 3.62Å; W526-I736 PolarHBondContact NE1-O 3.13Å; W526-R740 VanDerWaalsContact CD2-CD 3.46Å; W526-R740 HydrophobicContact CD2-CG 4.13Å; W526-R740 HydrophobicContact CG-CG 4.28Å; W526-R740 VanDerWaalsContact CH2-NH1 3.28Å; W526-R740 HydrophobicContact CZ2-CG 4.19Å; W526-V804 HydrophobicContact CZ2-CG2 4.48Å; W526-V807 HydrophobicContact CH2-CB 4.29Å; W526-V807 HydrophobicContact CH2-CG2 3.67Å; W526-V807 HydrophobicContact CZ3-CG2 4.04Å
527V94.8Very high92.4Very high9 Ų945.8 Ų45.86%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-123.8135.2-179.9-177.20000108.5T485 C486 R525 V544 T545 Q547T485-V527 HydrophobicContact CG2-CG1 3.23Å; C486-V527 CarbonylContact O-C 3.54Å; C486-V527 VanDerWaalsContact O-CA 3.3Å; C486-V527 WeakPolarHBondContact O-CA 3.18Å; R525-V527 HydrophobicContact CG-CG2 4.01Å; V527-V544 WeakPolarHBondContact O-CA 3.44Å; V527-T545 PolarHBondContact N-O 3.29Å; V527-T545 PolarHBondContact O-N 3.11Å; V527-Q547 HydrophobicContact CG2-CB 3.79Å
528V94.3Very high92.3Very high0 Ų046.8 Ų46.80%026%0.264CS..EExtended strand (participates in β ladder)trans-146.9134.8-176.860.70000109.9C486 F488 L504 C539 D540 W541 V544C486-V528 HydrophobicContact CB-CG1 4.38Å; C486-V528 PolarHBondContact N-O 2.95Å; C486-V528 PolarHBondContact O-N 3.47Å; F488-V528 HydrophobicContact CE1-CG1 4.35Å; L504-V528 HydrophobicContact CD2-CG1 3.5Å; V528-C539 HydrophobicContact CG1-CB 4.42Å; V528-C539 HydrophobicContact CG2-CB 3.86Å; V528-D540 WeakPolarHBondContact CG2-O 3.37Å; V528-W541 HydrophobicContact CG1-CH2 4.29Å; V528-W541 HydrophobicContact CG1-CZ3 4.41Å; V528-W541 HydrophobicContact CG2-CD2 4.35Å; V528-W541 HydrophobicContact CG2-CE3 4.34Å; V528-V544 HydrophobicContact CB-CB 4.16Å; V528-V544 HydrophobicContact CB-CG2 4.02Å; V528-V544 HydrophobicContact CG2-CB 4.14Å; V528-V544 HydrophobicContact CG2-CG2 4.48Å
529P94.2Very high92.4Very high21 Ų2141.4 Ų41.414%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-73.9137.1173.130.4-33.9000110.5A479 C539 D540 E543A479-P529 HydrophobicContact CB-CB 4.34Å; A479-P529 HydrophobicContact CB-CG 4.36Å; P529-C539 CarbonylContact O-C 3.45Å; P529-C539 VanDerWaalsContact O-CA 3.28Å; P529-C539 WeakPolarHBondContact O-CA 3.41Å; P529-D540 HydrophobicContact CG-CB 4.07Å; P529-D540 PolarHBondContact O-N 2.82Å; P529-E543 HydrophobicContact CG-CB 4.09Å
530C92.5Very high92.4Very high2 Ų240.9 Ų40.91%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-142.9162.6179-46.60000111.4V484 T538 C539V484-C530 VanDerWaalsContact CG2-O 3.26Å; V484-C530 WeakPolarHBondContact CG2-O 3.27Å; V484-C530 PolarHBondContact N-O 2.95Å; V484-C530 PolarHBondContact O-N 3.41Å; V484-C530 VanDerWaalsContact O-O 3.09Å; C530-T538 WeakPolarHBondContact CA-O 3.38Å; C530-C539 HydrophobicContact CB-CB 3.94Å; C530-C539 WeakPolarHBondContact CB-SG 3.39Å; C530-C539 WeakPolarHBondContact SG-CB 3.25Å; C530-C539 CovalentContact SG-SG 2.03Å; C530-C539 PolarHBondContact SG-SG 3.14Å
531L91.4Very high92.3Very high109 Ų10941.5 Ų41.557%0.57122%0.224SC*.SBendtrans-76.5-32.5164.1-57.4174.9000111.4T538L531-T538 PolarHBondContact N-O 3.42Å
532S90.6Very high92Very high42 Ų4246.7 Ų46.729%0.29424%0.242SC..  trans-147.6136.3173.1178.40000111.8S534 D535 T538S532-S534 PolarHBondContact O-N 2.77Å; S532-S534 PolarHBondContact OG-N 2.92Å; S532-S534 VanDerWaalsContact OG-N 3.1Å; S532-S534 PolarHBondContact OG-OG 2.9Å; S532-D535 PolarHBondContact O-N 3.16Å; S532-T538 PolarHBondContact N-OG1 3.17Å; S532-T538 VanDerWaalsContact N-OG1 3.14Å; S532-T538 PolarHBondContact O-OG1 3.11Å; S532-T538 VanDerWaalsContact O-OG1 3.09Å
533C92.6Very high91.8Very high17 Ų1751 Ų5112%0.11526%0.26CS..THydrogen-bonded Turntrans-72-7.4172.6-52.30000113.4C486 L504 P506C486-C533 HydrophobicContact CB-CB 3.91Å; C486-C533 WeakPolarHBondContact CB-SG 3.26Å; C486-C533 WeakPolarHBondContact SG-CA 3.1Å; C486-C533 WeakPolarHBondContact SG-CB 3.33Å; C486-C533 PolarHBondContact SG-N 3.46Å; C486-C533 CovalentContact SG-SG 2.03Å; C486-C533 PolarHBondContact SG-SG 2.9Å; L504-C533 HydrophobicContact CB-CB 4.23Å; L504-C533 WeakPolarHBondContact CB-O 3.45Å; P506-C533 HydrophobicContact CG-CB 4.42Å
534S90.6Very high91.9Very high112 Ų11247.9 Ų47.978%0.78324%0.239SC*.THydrogen-bonded Turntrans-85.4-19.1176.568.30000113.7S532S532-S534 PolarHBondContact O-N 2.77Å; S532-S534 PolarHBondContact OG-N 2.92Å; S532-S534 VanDerWaalsContact OG-N 3.1Å; S532-S534 PolarHBondContact OG-OG 2.9Å
535D88.1Confident91.9Very high42 Ų4251.2 Ų51.223%0.22526%0.259CS..  trans-128.1107.1-178.5-173.1-10.3000110.5S532 R537 T538S532-D535 PolarHBondContact O-N 3.16Å; D535-R537 PolarHBondContact O-N 3.41Å; D535-R537 VanDerWaalsContact O-N 3.14Å; D535-R537 WeakPolarHBondContact OD1-CB 3.21Å; D535-R537 WeakPolarHBondContact OD1-CG 3.24Å; D535-R537 IonicContact OD1-CZ 3.29Å; D535-R537 PolarHBondContact OD1-N 3.23Å; D535-R537 IonicContact OD1-NE 3.58Å; D535-R537 PolarHBondContact OD1-NE 2.99Å; D535-R537 IonicContact OD1-NH2 3.82Å; D535-R537 IonicContact OD2-CZ 2.81Å; D535-R537 IonicContact OD2-NE 3.84Å; D535-R537 PolarHBondContact OD2-NE 3.15Å; D535-R537 IonicContact OD2-NH2 3.98Å; D535-R537 PolarHBondContact OD2-NH2 2.87Å; D535-T538 HydrophobicContact CB-CG2 3.92Å; D535-T538 PolarHBondContact O-N 2.67Å; D535-T538 VanDerWaalsContact O-N 3.1Å; D535-T538 PolarHBondContact O-OG1 2.72Å
536N88.2Confident92Very high76 Ų7649.1 Ų49.141%0.40625%0.251SS..G310 helixtrans-63.4-18.8-177.668.71.6000113.9L504 T538 W541L504-N536 HydrophobicContact CD1-CB 3.86Å; N536-T538 PolarHBondContact O-N 2.86Å; N536-W541 HydrophobicContact CB-CZ2 4.1Å; N536-W541 PolarHBondContact O-NE1 3.42Å
537R87.7Confident91.8Very high157 Ų15751.2 Ų51.259%0.59226%0.261SS*.G310 helixtrans-72.4-22.2178.4-59.4173.4-64.41746.1111.5L477 D535 C539L477-R537 WeakPolarHBondContact CD1-O 3.32Å; D535-R537 PolarHBondContact O-N 3.41Å; D535-R537 VanDerWaalsContact O-N 3.14Å; D535-R537 WeakPolarHBondContact OD1-CB 3.21Å; D535-R537 WeakPolarHBondContact OD1-CG 3.24Å; D535-R537 IonicContact OD1-CZ 3.29Å; D535-R537 PolarHBondContact OD1-N 3.23Å; D535-R537 IonicContact OD1-NE 3.58Å; D535-R537 PolarHBondContact OD1-NE 2.99Å; D535-R537 IonicContact OD1-NH2 3.82Å; D535-R537 IonicContact OD2-CZ 2.81Å; D535-R537 IonicContact OD2-NE 3.84Å; D535-R537 PolarHBondContact OD2-NE 3.15Å; D535-R537 IonicContact OD2-NH2 3.98Å; D535-R537 PolarHBondContact OD2-NH2 2.87Å; R537-C539 PolarHBondContact O-N 2.86Å
538T90.7Very high91.7Very high27 Ų2751.1 Ų51.117%0.16626%0.26CS..G310 helixtrans-822-179.172.60000114.3C530 L531 S532 D535 N536C530-T538 WeakPolarHBondContact CA-O 3.38Å; L531-T538 PolarHBondContact N-O 3.42Å; S532-T538 PolarHBondContact N-OG1 3.17Å; S532-T538 VanDerWaalsContact N-OG1 3.14Å; S532-T538 PolarHBondContact O-OG1 3.11Å; S532-T538 VanDerWaalsContact O-OG1 3.09Å; D535-T538 HydrophobicContact CB-CG2 3.92Å; D535-T538 PolarHBondContact O-N 2.67Å; D535-T538 VanDerWaalsContact O-N 3.1Å; D535-T538 PolarHBondContact O-OG1 2.72Å; N536-T538 PolarHBondContact O-N 2.86Å
539C92.3Very high91.4Very high0 Ų053.6 Ų53.60%027%0.273CS..BIsolated β-bridgetrans-96.4148-174.6-58.10000112.4L477 L504 V528 P529 C530 R537 W541L477-C539 PolarHBondContact N-O 2.84Å; L477-C539 VanDerWaalsContact N-O 3.13Å; L504-C539 WeakPolarHBondContact CD1-SG 3.31Å; V528-C539 HydrophobicContact CG1-CB 4.42Å; V528-C539 HydrophobicContact CG2-CB 3.86Å; P529-C539 CarbonylContact O-C 3.45Å; P529-C539 VanDerWaalsContact O-CA 3.28Å; P529-C539 WeakPolarHBondContact O-CA 3.41Å; C530-C539 HydrophobicContact CB-CB 3.94Å; C530-C539 WeakPolarHBondContact CB-SG 3.39Å; C530-C539 WeakPolarHBondContact SG-CB 3.25Å; C530-C539 CovalentContact SG-SG 2.03Å; C530-C539 PolarHBondContact SG-SG 3.14Å; R537-C539 PolarHBondContact O-N 2.86Å; C539-W541 HydrophobicContact CB-CD2 4.46Å; C539-W541 HydrophobicContact CB-CZ2 4.17Å; C539-W541 PolarHBondContact O-N 3.03Å
540D94.1Very high91.1Very high6 Ų659.4 Ų59.43%0.03230%0.303CS..  trans-89.483.9170-159.3-11.9000110.5S476 L477 P478 A479 V528 P529 R542 E543S476-D540 PolarHBondContact OG-OD1 3.45Å; L477-D540 VanDerWaalsContact O-CA 3.27Å; L477-D540 WeakPolarHBondContact O-CA 3.41Å; L477-D540 WeakPolarHBondContact O-CB 3.41Å; P478-D540 WeakPolarHBondContact CA-OD2 3.08Å; A479-D540 HydrophobicContact CB-CB 4.07Å; A479-D540 PolarHBondContact N-OD2 3.26Å; A479-D540 VanDerWaalsContact N-OD2 3.16Å; V528-D540 WeakPolarHBondContact CG2-O 3.37Å; P529-D540 HydrophobicContact CG-CB 4.07Å; P529-D540 PolarHBondContact O-N 2.82Å; D540-R542 PolarHBondContact O-N 3.14Å; D540-R542 VanDerWaalsContact O-N 3.1Å; D540-R542 WeakPolarHBondContact OD1-CB 3.5Å; D540-R542 IonicContact OD1-CZ 3.41Å; D540-R542 PolarHBondContact OD1-N 3.46Å; D540-R542 IonicContact OD1-NE 2.69Å; D540-R542 PolarHBondContact OD1-NE 3.4Å; D540-R542 IonicContact OD1-NH2 2.98Å; D540-R542 PolarHBondContact OD1-NH2 3.09Å; D540-R542 IonicContact OD2-CZ 3.59Å; D540-R542 IonicContact OD2-NE 3.67Å; D540-R542 IonicContact OD2-NH2 3.52Å; D540-R542 PolarHBondContact OD2-NH2 3.17Å; D540-E543 PolarHBondContact O-N 2.79Å
541W91.5Very high91Very high17 Ų1760 Ų606%0.06431%0.307CS..THydrogen-bonded Turntrans-65.2-7.7178.4-65.697.3000114.6R474 S476 F488 L504 V528 N536 C539 E543 V544R474-W541 HydrophobicContact CB-CB 4.49Å; R474-W541 HydrophobicContact CB-CG 4.31Å; R474-W541 VanDerWaalsContact CD-CG 3.41Å; R474-W541 HydrophobicContact CG-CD2 4.11Å; R474-W541 HydrophobicContact CG-CG 3.9Å; S476-W541 PolarHBondContact OG-N 3.23Å; F488-W541 AromaticContact CE1-CH2 3.8Å; F488-W541 HydrophobicContact CE1-CH2 3.8Å; F488-W541 AromaticContact CE1-CZ3 3.62Å; F488-W541 HydrophobicContact CE1-CZ3 3.62Å; F488-W541 HydrophobicContact CZ-CH2 4.05Å; F488-W541 AromaticContact CZ-CZ3 3.66Å; F488-W541 HydrophobicContact CZ-CZ3 3.66Å; L504-W541 HydrophobicContact CD1-CZ2 4.19Å; L504-W541 HydrophobicContact CD2-CH2 4.23Å; V528-W541 HydrophobicContact CG1-CH2 4.29Å; V528-W541 HydrophobicContact CG1-CZ3 4.41Å; V528-W541 HydrophobicContact CG2-CD2 4.35Å; V528-W541 HydrophobicContact CG2-CE3 4.34Å; N536-W541 HydrophobicContact CB-CZ2 4.1Å; N536-W541 PolarHBondContact O-NE1 3.42Å; C539-W541 HydrophobicContact CB-CD2 4.46Å; C539-W541 HydrophobicContact CB-CZ2 4.17Å; C539-W541 PolarHBondContact O-N 3.03Å; W541-E543 VanDerWaalsContact C-N 3.33Å; W541-V544 HydrophobicContact CE3-CB 4.31Å; W541-V544 HydrophobicContact CE3-CG2 4.26Å; W541-V544 HydrophobicContact CZ3-CG2 4.34Å; W541-V544 WeakPolarHBondContact O-CG1 2.95Å
542R89.8Confident91Very high149 Ų14959.8 Ų59.856%0.56230%0.3SS*.THydrogen-bonded Turntrans-75.5-27.9171.5-58.8167-58.6161.819.7111.5S476 D540S476-R542 PolarHBondContact OG-N 3.08Å; D540-R542 PolarHBondContact O-N 3.14Å; D540-R542 VanDerWaalsContact O-N 3.1Å; D540-R542 WeakPolarHBondContact OD1-CB 3.5Å; D540-R542 IonicContact OD1-CZ 3.41Å; D540-R542 PolarHBondContact OD1-N 3.46Å; D540-R542 IonicContact OD1-NE 2.69Å; D540-R542 PolarHBondContact OD1-NE 3.4Å; D540-R542 IonicContact OD1-NH2 2.98Å; D540-R542 PolarHBondContact OD1-NH2 3.09Å; D540-R542 IonicContact OD2-CZ 3.59Å; D540-R542 IonicContact OD2-NE 3.67Å; D540-R542 IonicContact OD2-NH2 3.52Å; D540-R542 PolarHBondContact OD2-NH2 3.17Å
543E90.6Very high91Very high121 Ų12159.2 Ų59.257%0.56529%0.293SS*.SBendtrans-99.611.6-179-60.6-56.914100112.8P529 D540 W541 T545P529-E543 HydrophobicContact CG-CB 4.09Å; D540-E543 PolarHBondContact O-N 2.79Å; W541-E543 VanDerWaalsContact C-N 3.33Å; E543-T545 PolarHBondContact O-N 2.84Å
544V93.3Very high90.9Very high18 Ų1860.1 Ų60.111%0.10930%0.298CS..  trans-67.9129.1179.366.50000111.4F488 W526 V527 V528 W541F488-V544 HydrophobicContact CE1-CG2 4.47Å; W526-V544 HydrophobicContact CB-CG2 4.47Å; W526-V544 HydrophobicContact CE3-CG2 3.87Å; V527-V544 WeakPolarHBondContact O-CA 3.44Å; V528-V544 HydrophobicContact CB-CB 4.16Å; V528-V544 HydrophobicContact CB-CG2 4.02Å; V528-V544 HydrophobicContact CG2-CB 4.14Å; V528-V544 HydrophobicContact CG2-CG2 4.48Å; W541-V544 HydrophobicContact CE3-CB 4.31Å; W541-V544 HydrophobicContact CE3-CG2 4.26Å; W541-V544 HydrophobicContact CZ3-CG2 4.34Å; W541-V544 WeakPolarHBondContact O-CG1 2.95Å
545T93.3Very high90.9Very high75 Ų7559.4 Ų59.446%0.4629%0.291SS..EExtended strand (participates in β ladder)trans-129.8148.5-17756.90000112.3W526 V527 E543W526-T545 WeakPolarHBondContact CA-O 3.03Å; W526-T545 VanDerWaalsContact CE3-C 3.42Å; V527-T545 PolarHBondContact N-O 3.29Å; V527-T545 PolarHBondContact O-N 3.11Å; E543-T545 PolarHBondContact O-N 2.84Å
546W94.8Very high91.1Very high31 Ų3158.1 Ų58.112%0.11728%0.284CS..EExtended strand (participates in β ladder)trans-84.7124.8168.7177-99.1000109.5G524 W526 I736 V807G524-W546 VanDerWaalsContact C-CZ2 3.45Å; G524-W546 VanDerWaalsContact CA-CZ2 3.49Å; G524-W546 WeakPolarHBondContact O-CH2 3.3Å; W526-W546 AromaticContact CD1-CE3 3.79Å; W526-W546 AromaticContact CD1-CZ3 3.85Å; W526-W546 HydrophobicContact CD2-CB 4.44Å; W526-W546 AromaticContact CD2-CE3 3.92Å; W526-W546 HydrophobicContact CD2-CE3 3.92Å; W526-W546 AromaticContact CE2-CE3 3.72Å; W526-W546 HydrophobicContact CE3-CB 4.05Å; W526-W546 AromaticContact CG-CE3 3.99Å; W526-W546 HydrophobicContact CG-CE3 3.99Å; W526-W546 HydrophobicContact CG-CZ3 4.42Å; W526-W546 HydrophobicContact CH2-CB 4.1Å; W526-W546 HydrophobicContact CZ2-CB 4.44Å; W526-W546 HydrophobicContact CZ2-CE3 4.32Å; W526-W546 HydrophobicContact CZ3-CB 3.87Å; W526-W546 AromaticContact NE1-CE3 3.61Å; W526-W546 AromaticContact NE1-CZ3 3.81Å; W546-I736 HydrophobicContact CD2-CG1 3.9Å; W546-I736 HydrophobicContact CE3-CG1 4.28Å; W546-I736 HydrophobicContact CG-CG1 4.36Å; W546-I736 HydrophobicContact CH2-CG1 4.28Å; W546-I736 HydrophobicContact CZ2-CG1 3.9Å; W546-I736 HydrophobicContact CZ3-CG1 4.46Å; W546-V807 HydrophobicContact CB-CG1 3.49Å; W546-V807 VanDerWaalsContact CB-CG1 3.49Å; W546-V807 HydrophobicContact CB-CG2 4.21Å; W546-V807 HydrophobicContact CG-CG1 3.83Å
547Q93Very high91.4Very high44 Ų4463.6 Ų63.621%0.20630%0.299CS..EExtended strand (participates in β ladder)trans-121.1114.6-179.3-173.9172-20.900109.6G524 R525 V527G524-Q547 CarbonylContact C-O 3.41Å; G524-Q547 WeakPolarHBondContact CA-O 3.21Å; R525-Q547 PolarHBondContact N-O 3.31Å; R525-Q547 PolarHBondContact O-N 2.72Å; V527-Q547 HydrophobicContact CG2-CB 3.79Å
548P92.4Very high91.6Very high8 Ų861.1 Ų61.15%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-61.3152.1167.7-15.428.8000110.9V522 P523 C551V522-P548 HydrophobicContact CG1-CB 4.25Å; P523-P548 CarbonylContact O-C 3.56Å; P523-P548 VanDerWaalsContact O-CA 3.3Å; P523-P548 WeakPolarHBondContact O-CA 3.1Å; P548-C551 WeakPolarHBondContact CB-O 3.38Å
549D88.3Confident91.7Very high51 Ų5163.8 Ų63.827%0.27331%0.307SS..SBendtrans-65-46.2-169.8-73-32.7000113.1P523 R525P523-D549 PolarHBondContact O-N 3.27Å; R525-D549 IonicContact CZ-OD1 3.71Å; R525-D549 VanDerWaalsContact CZ-OD1 3.3Å; R525-D549 IonicContact NE-OD1 3.47Å; R525-D549 PolarHBondContact NE-OD1 2.93Å; R525-D549 IonicContact NH2-OD1 2.79Å; R525-D549 PolarHBondContact NH2-OD1 2.96Å; R525-D549 IonicContact NH2-OD2 2.78Å
550D86.8Confident91.8Very high143 Ų14368.8 Ų68.877%0.76533%0.334SS*.SBendtrans-125.48.4-171.6-58.3-51.7000114
551C91.3Very high91.8Very high14 Ų1468.5 Ų68.510%0.09533%0.332CS..EExtended strand (participates in β ladder)trans-150.2173.1-175.369.40000111.7Q515 C517 P548Q515-C551 WeakPolarHBondContact O-CA 3.21Å; Q515-C551 WeakPolarHBondContact O-CB 3.31Å; C517-C551 WeakPolarHBondContact CA-SG 3.46Å; C517-C551 HydrophobicContact CB-CB 3.83Å; C517-C551 WeakPolarHBondContact CB-SG 3.22Å; C517-C551 WeakPolarHBondContact SG-CB 3.08Å; C517-C551 CovalentContact SG-SG 2.03Å; C517-C551 PolarHBondContact SG-SG 2.88Å; P548-C551 WeakPolarHBondContact CB-O 3.38Å
552Y91Very high92Very high105 Ų10569.7 Ų69.741%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-130.3151.4171.277.3-77.4000111.9I514 Q515 P516 C517 P554I514-Y552 HydrophobicContact CB-CD1 4.23Å; I514-Y552 HydrophobicContact CG2-CD1 3.96Å; I514-Y552 WeakPolarHBondContact O-CD1 3.37Å; I514-Y552 WeakPolarHBondContact O-CE1 3.44Å; Q515-Y552 WeakPolarHBondContact O-CD1 3.26Å; Q515-Y552 PolarHBondContact O-N 2.87Å; Q515-Y552 VanDerWaalsContact O-N 3.08Å; P516-Y552 CarbonylContact C-O 3.58Å; P516-Y552 WeakPolarHBondContact CA-O 3.17Å; P516-Y552 HydrophobicContact CG-CE1 4.01Å; C517-Y552 PolarHBondContact N-O 2.88Å; C517-Y552 PolarHBondContact SG-N 3.33Å; C517-Y552 VanDerWaalsContact SG-N 3.38Å; C517-Y552 PolarHBondContact SG-O 2.93Å; C517-Y552 VanDerWaalsContact SG-O 3.4Å; Y552-P554 HydrophobicContact CD2-CB 4.39Å; Y552-P554 HydrophobicContact CE2-CB 3.79Å; Y552-P554 WeakPolarHBondContact O-CD 3.14Å
553H91.6Very high92.2Very high31 Ų3167.5 Ų67.514%0.14434%0.338CS..  trans-93.3108171.7-72.1-73.9000109.3C517 S519 I811 S814C517-H553 VanDerWaalsContact CB-CE1 3.46Å; C517-H553 WeakPolarHBondContact CB-CE1 3.34Å; S519-H553 PolarHBondContact O-CE1 2.6Å; H553-I811 HydrophobicContact CB-CG1 4.22Å; H553-S814 PolarHBondContact ND1-OG 3.21Å
554P89.7Confident92.4Very high35 Ų3563.1 Ų63.123%0.22732%0.32CS..  trans-66.3128.4-178.825-32.6000110.3P516 Y552 V556P516-P554 HydrophobicContact CB-CG 4.41Å; Y552-P554 HydrophobicContact CD2-CB 4.39Å; Y552-P554 HydrophobicContact CE2-CB 3.79Å; Y552-P554 WeakPolarHBondContact O-CD 3.14Å; P554-V556 PolarHBondContact O-N 3.44Å
555P90.3Very high92.5Very high98 Ų9862.3 Ų62.364%0.63632%0.315SS*.  trans-66.1131.8175.126.6-32.7000109.9R557P555-R557 PolarHBondContact O-N 3.21Å
556V93.1Very high92.5Very high14 Ų1459.3 Ų59.39%0.08530%0.298CS..  trans-83112.2-178.6-168.70000109.2P554 L560 L561 R588 L813 C817P554-V556 PolarHBondContact O-N 3.44Å; V556-L560 HydrophobicContact CG1-CB 4.34Å; V556-L561 HydrophobicContact CG1-CB 3.81Å; V556-L561 HydrophobicContact CG1-CD1 4.27Å; V556-R588 PolarHBondContact O-NH2 2.58Å; V556-L813 HydrophobicContact CG2-CB 4.22Å; V556-C817 HydrophobicContact CG1-CB 4.16Å; V556-C817 HydrophobicContact CG2-CB 4.41Å
557R93.1Very high92.3Very high191 Ų19164.3 Ų64.372%0.72132%0.322SS*.  trans-60.9145176.1-66.6-175-179.2159.40.7110.2P555 L560 L561P555-R557 PolarHBondContact O-N 3.21Å; R557-L560 HydrophobicContact CB-CD1 4.34Å; R557-L560 PolarHBondContact O-N 2.86Å; R557-L561 PolarHBondContact O-N 2.7Å
558R92.4Very high92.4Very high106 Ų10663.3 Ų63.340%0.432%0.316SS..Hα-helixtrans-55.2-45.1-173.3179.8175.6174.5-165.9-1.6114.4L560 L561 Q562 N590R558-L560 PolarHBondContact O-N 2.96Å; R558-L561 WeakPolarHBondContact O-CB 3.3Å; R558-L561 PolarHBondContact O-N 2.67Å; R558-Q562 HydrophobicContact CG-CG 4.32Å; R558-Q562 WeakPolarHBondContact O-CG 3.46Å; R558-Q562 PolarHBondContact O-N 3.35Å; R558-N590 PolarHBondContact NH2-O 3.14Å
559P93.1Very high92.6Very high82 Ų8265.1 Ų65.153%0.53232%0.323SS..Hα-helixtrans-59.8-47177.8-24.835.5000112.3L561 Q562 D563P559-L561 VanDerWaalsContact C-N 3.3Å; P559-L561 PolarHBondContact O-N 2.86Å; P559-Q562 WeakPolarHBondContact O-CB 3.1Å; P559-Q562 PolarHBondContact O-N 2.95Å; P559-Q562 VanDerWaalsContact O-N 3.13Å; P559-D563 PolarHBondContact O-N 3.11Å
560L93.5Very high93Very high106 Ų10662.7 Ų62.756%0.55531%0.311SS*.Hα-helixtrans-61.9-38.1176.7-62.7174.8000112.3V556 R557 R558 D563 C564V556-L560 HydrophobicContact CG1-CB 4.34Å; R557-L560 HydrophobicContact CB-CD1 4.34Å; R557-L560 PolarHBondContact O-N 2.86Å; R558-L560 PolarHBondContact O-N 2.96Å; L560-D563 PolarHBondContact O-N 3.24Å; L560-C564 VanDerWaalsContact O-CB 3.24Å; L560-C564 WeakPolarHBondContact O-CB 3.3Å; L560-C564 PolarHBondContact O-N 3.37Å
561L94.9Very high93.6Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-65-43.1175.2-178.264000111.3V556 R557 R558 P559 D563 M565 R588 V589 L813V556-L561 HydrophobicContact CG1-CB 3.81Å; V556-L561 HydrophobicContact CG1-CD1 4.27Å; R557-L561 PolarHBondContact O-N 2.7Å; R558-L561 WeakPolarHBondContact O-CB 3.3Å; R558-L561 PolarHBondContact O-N 2.67Å; P559-L561 VanDerWaalsContact C-N 3.3Å; P559-L561 PolarHBondContact O-N 2.86Å; L561-D563 VanDerWaalsContact C-N 3.34Å; L561-M565 HydrophobicContact CD1-CG 3.86Å; L561-M565 HydrophobicContact CG-CG 4.31Å; L561-M565 WeakPolarHBondContact O-CB 3.38Å; L561-M565 WeakPolarHBondContact O-CG 3.34Å; L561-M565 PolarHBondContact O-N 3.39Å; L561-R588 HydrophobicContact CD2-CB 3.71Å; L561-V589 HydrophobicContact CD1-CG2 4.45Å; L561-V589 HydrophobicContact CD2-CG2 3.8Å; L561-V589 HydrophobicContact CG-CG2 3.83Å; L561-L813 HydrophobicContact CD1-CD1 4.47Å; L561-L813 HydrophobicContact CD1-CD2 4.23Å; L561-L813 HydrophobicContact CD2-CD1 3.98Å
562Q95.1Very high93.9Very high42 Ų4255.3 Ų55.320%0.19627%0.27CS..Hα-helixtrans-63.5-39.8177.7-74.2174.8-36.200111.7R558 P559 S566 V589 N609R558-Q562 HydrophobicContact CG-CG 4.32Å; R558-Q562 WeakPolarHBondContact O-CG 3.46Å; R558-Q562 PolarHBondContact O-N 3.35Å; P559-Q562 WeakPolarHBondContact O-CB 3.1Å; P559-Q562 PolarHBondContact O-N 2.95Å; P559-Q562 VanDerWaalsContact O-N 3.13Å; Q562-S566 PolarHBondContact O-N 3.43Å; Q562-S566 VanDerWaalsContact O-N 3.1Å; Q562-V589 HydrophobicContact CG-CG1 4.43Å; Q562-V589 WeakPolarHBondContact CG-O 3.11Å; Q562-V589 PolarHBondContact NE2-O 3.05Å; Q562-N609 PolarHBondContact O-ND2 3.37Å
563D94.4Very high94.1Very high102 Ų10250.3 Ų50.355%0.54525%0.25SS..Hα-helixtrans-69.6-48.3177.2-66.3-23.2000111.4P559 L560 L561 M565 S566P559-D563 PolarHBondContact O-N 3.11Å; L560-D563 PolarHBondContact O-N 3.24Å; L561-D563 VanDerWaalsContact C-N 3.34Å; D563-M565 VanDerWaalsContact C-N 3.29Å; D563-M565 PolarHBondContact O-N 3.14Å; D563-S566 WeakPolarHBondContact O-CB 3.34Å; D563-S566 PolarHBondContact O-N 3.01Å; D563-S566 VanDerWaalsContact O-N 3.09Å
564C94.7Very high94.2Very high29 Ų2948.8 Ų48.820%0.19624%0.243CC..Hα-helixtrans-57.9-39.8176.3167.70000113L560 S566 R568 C817L560-C564 VanDerWaalsContact O-CB 3.24Å; L560-C564 WeakPolarHBondContact O-CB 3.3Å; L560-C564 PolarHBondContact O-N 3.37Å; C564-S566 VanDerWaalsContact C-N 3.3Å; C564-R568 VanDerWaalsContact O-CD 3.26Å; C564-R568 WeakPolarHBondContact O-CD 3.35Å; C564-R568 PolarHBondContact O-NE 2.77Å; C564-R568 VanDerWaalsContact O-NE 3.07Å; C564-C817 HydrophobicContact CB-CB 3.66Å; C564-C817 WeakPolarHBondContact CB-SG 3.18Å; C564-C817 WeakPolarHBondContact SG-CA 3.37Å; C564-C817 WeakPolarHBondContact SG-CB 3.25Å; C564-C817 CovalentContact SG-SG 2.02Å; C564-C817 PolarHBondContact SG-SG 2.99Å
565M95.4Very high94.2Very high1 Ų147.7 Ų47.71%0.00524%0.235CC..THydrogen-bonded Turntrans-82.7-8.1-179.1-67.2-64.6-59.400112.9L561 D563 H567 R568 V570 L585 V589 T613L561-M565 HydrophobicContact CD1-CG 3.86Å; L561-M565 HydrophobicContact CG-CG 4.31Å; L561-M565 WeakPolarHBondContact O-CB 3.38Å; L561-M565 WeakPolarHBondContact O-CG 3.34Å; L561-M565 PolarHBondContact O-N 3.39Å; D563-M565 VanDerWaalsContact C-N 3.29Å; D563-M565 PolarHBondContact O-N 3.14Å; M565-H567 PolarHBondContact O-N 3.06Å; M565-R568 WeakPolarHBondContact O-CB 3.37Å; M565-R568 PolarHBondContact O-N 2.8Å; M565-R568 VanDerWaalsContact O-N 3.14Å; M565-V570 HydrophobicContact CE-CG2 3.47Å; M565-V570 VanDerWaalsContact CE-CG2 3.47Å; M565-L585 HydrophobicContact CE-CD1 3.89Å; M565-L585 HydrophobicContact CE-CD2 3.97Å; M565-L585 HydrophobicContact CE-CG 4.39Å; M565-L585 HydrophobicContact CG-CD1 4.42Å; M565-L585 HydrophobicContact SD-CD1 4.15Å; M565-V589 HydrophobicContact CB-CG2 4.38Å; M565-V589 HydrophobicContact CG-CG2 4.02Å; M565-T613 HydrophobicContact CB-CG2 4.28Å; M565-T613 HydrophobicContact CE-CG2 3.65Å; M565-T613 PolarHBondContact O-OG1 3.23Å
566S93.8Very high93.9Very high13 Ų1343.2 Ų43.29%0.09121%0.207CC..THydrogen-bonded Turntrans-60.2131.9178.1-163.10000109.9Q562 D563 C564 R568 R612 Q652Q562-S566 PolarHBondContact O-N 3.43Å; Q562-S566 VanDerWaalsContact O-N 3.1Å; D563-S566 WeakPolarHBondContact O-CB 3.34Å; D563-S566 PolarHBondContact O-N 3.01Å; D563-S566 VanDerWaalsContact O-N 3.09Å; C564-S566 VanDerWaalsContact C-N 3.3Å; S566-R568 PolarHBondContact O-N 3.36Å; S566-R568 VanDerWaalsContact O-N 3.13Å; S566-R612 WeakPolarHBondContact OG-CD 3.44Å; S566-R612 PolarHBondContact OG-NH1 3.02Å; S566-Q652 PolarHBondContact O-OE1 3.35Å
567H91.4Very high93.6Very high135 Ų13542.8 Ų42.863%0.62520%0.204SC*.THydrogen-bonded Turntrans63.46.2-177-48.7-69.2000115.8M565 R612M565-H567 PolarHBondContact O-N 3.06Å; H567-R612 WeakPolarHBondContact CA-O 3.36Å; H567-R612 PolarHBondContact N-O 3.2Å
568R95.1Very high93.6Very high23 Ų2333.7 Ų33.79%0.08717%0.17CC..  trans-82147.2177.3-65.9-160.8172.1-172.13.2113.8C564 M565 S566 Q614 Q652 L816C564-R568 VanDerWaalsContact O-CD 3.26Å; C564-R568 WeakPolarHBondContact O-CD 3.35Å; C564-R568 PolarHBondContact O-NE 2.77Å; C564-R568 VanDerWaalsContact O-NE 3.07Å; M565-R568 WeakPolarHBondContact O-CB 3.37Å; M565-R568 PolarHBondContact O-N 2.8Å; M565-R568 VanDerWaalsContact O-N 3.14Å; S566-R568 PolarHBondContact O-N 3.36Å; S566-R568 VanDerWaalsContact O-N 3.13Å; R568-Q614 PolarHBondContact O-N 3.42Å; R568-Q652 CarbonylContact C-O 3.56Å; R568-Q652 VanDerWaalsContact CA-O 3.23Å; R568-Q652 WeakPolarHBondContact CA-O 3.41Å; R568-Q652 WeakPolarHBondContact CB-O 3.25Å; R568-L816 PolarHBondContact NH1-O 3.33Å
569K96.2Very high93.5Very high46 Ų4629.9 Ų29.920%0.216%0.155CC..EExtended strand (participates in β ladder)trans-114.9113.8170.9-58.6-167.5175.1-145.10109.9Q614 P646 L647 Q652 T653 V654K569-Q614 CarbonylContact C-O 3.54Å; K569-Q614 WeakPolarHBondContact CA-O 3.33Å; K569-Q614 VanDerWaalsContact CE-OE1 3.29Å; K569-Q614 HydrophobicContact CG-CB 4.16Å; K569-P646 VanDerWaalsContact CD-O 3.27Å; K569-P646 WeakPolarHBondContact CD-O 3.43Å; K569-P646 WeakPolarHBondContact CE-O 3.46Å; K569-P646 PolarHBondContact NZ-O 2.86Å; K569-L647 HydrophobicContact CB-CD2 4.32Å; K569-L647 HydrophobicContact CD-CD2 3.84Å; K569-Q652 PolarHBondContact N-O 3.31Å; K569-T653 WeakPolarHBondContact O-CA 3.36Å; K569-V654 PolarHBondContact O-N 3.36Å
570V97.3Very high93.4Very high1 Ų126 Ų261%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-111.1114.7-178.1-169.60000110.7M565 F572 L585 Q614 V615 S616 V654 V656M565-V570 HydrophobicContact CE-CG2 3.47Å; M565-V570 VanDerWaalsContact CE-CG2 3.47Å; V570-F572 HydrophobicContact CB-CE2 4.23Å; V570-F572 HydrophobicContact CG1-CD2 3.95Å; V570-F572 HydrophobicContact CG1-CE2 3.35Å; V570-F572 HydrophobicContact CG1-CZ 3.96Å; V570-L585 HydrophobicContact CG1-CD2 4.37Å; V570-Q614 PolarHBondContact N-O 2.92Å; V570-V615 HydrophobicContact CB-CG2 4.37Å; V570-V615 CarbonylContact O-C 3.51Å; V570-V615 VanDerWaalsContact O-CA 3.27Å; V570-V615 WeakPolarHBondContact O-CA 3.4Å; V570-S616 PolarHBondContact O-N 3.1Å; V570-V654 HydrophobicContact CB-CB 4.38Å; V570-V654 HydrophobicContact CG1-CB 4.09Å; V570-V654 HydrophobicContact CG1-CG1 4.06Å; V570-V654 HydrophobicContact CG2-CB 4.09Å; V570-V654 HydrophobicContact CG2-CG2 4.29Å; V570-V656 HydrophobicContact CG1-CG2 4.09Å
571M97.6Very high93.5Very high1 Ų121 Ų211%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-102.6125.5-179.7-56.5-179.7-71.800109.4S616 L640 L647 T653 V654 L655 V656M571-S616 WeakPolarHBondContact CG-OG 3.43Å; M571-L640 HydrophobicContact CB-CD2 4.02Å; M571-L640 HydrophobicContact CB-CG 4.21Å; M571-L647 HydrophobicContact CE-CD1 4Å; M571-L647 HydrophobicContact CE-CD2 4.42Å; M571-L647 HydrophobicContact SD-CD1 3.74Å; M571-L647 HydrophobicContact SD-CD2 3.99Å; M571-T653 HydrophobicContact CE-CG2 3.55Å; M571-V654 PolarHBondContact N-O 3.39Å; M571-L655 HydrophobicContact CB-CD1 4.02Å; M571-L655 HydrophobicContact CE-CB 4.37Å; M571-L655 HydrophobicContact CE-CD1 4.48Å; M571-L655 CarbonylContact O-C 2.71Å; M571-L655 WeakPolarHBondContact O-CA 3.04Å; M571-V656 PolarHBondContact O-N 3.26Å
572F97.3Very high93.5Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-108.7133.5175-72.3-101.4000110.6V570 M581 M582 L585 V615 S616 Y617 S618 L640 V656 L812V570-F572 HydrophobicContact CB-CE2 4.23Å; V570-F572 HydrophobicContact CG1-CD2 3.95Å; V570-F572 HydrophobicContact CG1-CE2 3.35Å; V570-F572 HydrophobicContact CG1-CZ 3.96Å; F572-M581 HydrophobicContact CE1-CB 4.24Å; F572-M582 HydrophobicContact CD1-CB 4.14Å; F572-M582 HydrophobicContact CD2-CB 3.94Å; F572-M582 HydrophobicContact CD2-CG 3.8Å; F572-M582 HydrophobicContact CE1-CB 4.14Å; F572-M582 HydrophobicContact CE2-CB 3.93Å; F572-M582 HydrophobicContact CE2-CG 3.87Å; F572-M582 HydrophobicContact CG-CB 4.06Å; F572-M582 HydrophobicContact CG-CG 4.33Å; F572-M582 HydrophobicContact CZ-CB 4.04Å; F572-M582 HydrophobicContact CZ-CG 4.46Å; F572-L585 HydrophobicContact CE2-CD2 4.1Å; F572-L585 HydrophobicContact CZ-CD2 4.13Å; F572-V615 HydrophobicContact CD2-CG1 4.07Å; F572-V615 HydrophobicContact CE2-CG1 4.09Å; F572-S616 PolarHBondContact N-O 3.36Å; F572-Y617 HydrophobicContact CB-CD2 3.67Å; F572-Y617 HydrophobicContact CB-CG 4.45Å; F572-Y617 CarbonylContact O-C 3.58Å; F572-Y617 VanDerWaalsContact O-CA 3.27Å; F572-Y617 WeakPolarHBondContact O-CA 3.39Å; F572-S618 PolarHBondContact O-N 3.48Å; F572-L640 VanDerWaalsContact O-CD2 3.3Å; F572-L640 WeakPolarHBondContact O-CD2 3.31Å; F572-V656 WeakPolarHBondContact CA-O 3.07Å; F572-V656 HydrophobicContact CD1-CB 3.58Å; F572-V656 HydrophobicContact CD1-CG1 3.76Å; F572-V656 HydrophobicContact CD1-CG2 4.17Å; F572-V656 HydrophobicContact CE1-CB 3.69Å; F572-V656 HydrophobicContact CE1-CG1 3.7Å; F572-V656 HydrophobicContact CE1-CG2 3.82Å; F572-V656 HydrophobicContact CE2-CG2 4.49Å; F572-V656 HydrophobicContact CG-CB 4.13Å; F572-V656 HydrophobicContact CZ-CB 4.32Å; F572-V656 HydrophobicContact CZ-CG2 3.99Å; F572-L812 HydrophobicContact CE1-CD2 4.18Å; F572-L812 HydrophobicContact CZ-CD2 4.32Å
573I96.3Very high93.4Very high0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-131.7122.2168.7-175.7167.8000109.8S618 F633 A636 L637 L640 L655 V656 V657 G658I573-S618 WeakPolarHBondContact CA-O 3.47Å; I573-F633 HydrophobicContact CD1-CD2 4.38Å; I573-F633 HydrophobicContact CD1-CE2 3.94Å; I573-F633 HydrophobicContact CG1-CE2 4.34Å; I573-A636 HydrophobicContact CD1-CB 4.07Å; I573-L637 HydrophobicContact CD1-CB 4.18Å; I573-L637 HydrophobicContact CG2-CD1 4.43Å; I573-L640 HydrophobicContact CB-CD2 3.77Å; I573-L640 HydrophobicContact CG2-CD2 4.39Å; I573-L655 HydrophobicContact CG2-CD1 4.16Å; I573-V656 PolarHBondContact N-O 3.04Å; I573-V657 HydrophobicContact CG2-CB 4.15Å; I573-V657 HydrophobicContact CG2-CG1 4.08Å; I573-V657 HydrophobicContact CG2-CG2 3.7Å; I573-V657 WeakPolarHBondContact O-CA 3.44Å; I573-G658 PolarHBondContact O-N 3.2Å
574G93.8Very high93.4Very high0 Ų014.8 Ų14.80%07%0.072CC..EExtended strand (participates in β ladder)trans164.6-162.1-178.400000115.1Y617 S618 Y619 Y620 G658G574-Y617 PolarHBondContact O-OH 3.24Å; G574-S618 PolarHBondContact N-O 2.91Å; G574-S618 VanDerWaalsContact N-O 3.12Å; G574-Y619 VanDerWaalsContact O-CA 3.32Å; G574-Y619 WeakPolarHBondContact O-CA 3.4Å; G574-Y620 CarbonylContact C-O 3.6Å; G574-Y620 VanDerWaalsContact C-O 3.26Å; G574-Y620 PolarHBondContact O-N 3.39Å; G574-G658 WeakPolarHBondContact CA-O 3.35Å
575D88.6Confident93.5Very high11 Ų1113.5 Ų13.56%0.0596%0.062CC..SBendtrans-84.5-167.6-179.962.741000113T577 N578 R579 Y617 G659 V660D575-T577 PolarHBondContact O-N 2.65Å; D575-T577 WeakPolarHBondContact OD1-CA 3.47Å; D575-T577 WeakPolarHBondContact OD1-CB 3.2Å; D575-T577 PolarHBondContact OD1-N 2.98Å; D575-T577 PolarHBondContact OD1-OG1 3.35Å; D575-N578 PolarHBondContact O-N 3.06Å; D575-R579 PolarHBondContact O-N 2.8Å; D575-Y617 PolarHBondContact O-OH 2.97Å; D575-G659 VanDerWaalsContact OD2-CA 3.31Å; D575-G659 WeakPolarHBondContact OD2-CA 3.3Å; D575-V660 WeakPolarHBondContact OD2-CG2 3.43Å; D575-V660 PolarHBondContact OD2-N 3.35Å
576S84.1Confident93.4Very high5 Ų513.7 Ų13.74%0.0356%0.063CC..Hα-helixtrans-59.9-28.8178.251.60000113.2R579 G580 H752 H754S576-R579 WeakPolarHBondContact O-CB 3.35Å; S576-R579 PolarHBondContact O-N 3.38Å; S576-G580 PolarHBondContact O-N 3.26Å; S576-H752 VanDerWaalsContact CB-CE1 3.46Å; S576-H752 WeakPolarHBondContact CB-CE1 3.33Å; S576-H752 PolarHBondContact OG-CE1 3.4Å; S576-H752 VanDerWaalsContact OG-CE1 3.22Å; S576-H752 PolarHBondContact OG-ND1 3.47Å; S576-H754 PolarHBondContact O-CE1 2.91Å
577T87.9Confident93.4Very high4 Ų414.2 Ų14.23%0.0256%0.064CC..Hα-helixtrans-68.2-44.6179.5-39.50000110.8D575 R579 G580 M581 V660 Y808D575-T577 PolarHBondContact O-N 2.65Å; D575-T577 WeakPolarHBondContact OD1-CA 3.47Å; D575-T577 WeakPolarHBondContact OD1-CB 3.2Å; D575-T577 PolarHBondContact OD1-N 2.98Å; D575-T577 PolarHBondContact OD1-OG1 3.35Å; T577-R579 PolarHBondContact O-N 3.03Å; T577-G580 WeakPolarHBondContact O-CA 3.26Å; T577-G580 PolarHBondContact O-N 3.36Å; T577-M581 PolarHBondContact O-N 2.84Å; T577-M581 VanDerWaalsContact O-N 3.11Å; T577-V660 VanDerWaalsContact OG1-CG2 3.3Å; T577-V660 WeakPolarHBondContact OG1-CG2 3.24Å; T577-Y808 HydrophobicContact CG2-CE1 4.44Å; T577-Y808 HydrophobicContact CG2-CE2 4.32Å; T577-Y808 WeakPolarHBondContact CG2-OH 3.35Å
578N91.6Very high93.5Very high0 Ų010.5 Ų10.50%05%0.045CC..Hα-helixtrans-58.9-37172.1-79.878.3000111.7D575 G580 M581 M582 Y617 G658D575-N578 PolarHBondContact O-N 3.06Å; N578-G580 VanDerWaalsContact C-N 3.33Å; N578-M581 PolarHBondContact O-N 3.01Å; N578-M582 PolarHBondContact O-N 3.42Å; N578-Y617 HydrophobicContact CB-CE2 4.28Å; N578-G658 WeakPolarHBondContact ND2-CA 3.25Å; N578-G658 PolarHBondContact ND2-N 2.87Å; N578-G658 WeakPolarHBondContact OD1-CA 3.39Å; N578-G658 PolarHBondContact OD1-O 3.26Å
579R90.6Very high93.3Very high26 Ų269.6 Ų9.610%0.0984%0.042CC..Hα-helixtrans-64.9-37.6174.9-162.2175.956.4-115.24.7112D575 S576 T577 M582 F583 Y617D575-R579 PolarHBondContact O-N 2.8Å; S576-R579 WeakPolarHBondContact O-CB 3.35Å; S576-R579 PolarHBondContact O-N 3.38Å; T577-R579 PolarHBondContact O-N 3.03Å; R579-M582 HydrophobicContact CG-CE 4.05Å; R579-M582 WeakPolarHBondContact O-CB 3.49Å; R579-M582 PolarHBondContact O-N 3.41Å; R579-F583 HydrophobicContact CG-CD2 4.11Å; R579-F583 HydrophobicContact CG-CE1 4.36Å; R579-F583 HydrophobicContact CG-CE2 3.56Å; R579-F583 HydrophobicContact CG-CZ 3.69Å; R579-F583 WeakPolarHBondContact O-CD2 3.27Å; R579-F583 WeakPolarHBondContact O-CG 3.47Å; R579-F583 PolarHBondContact O-N 2.93Å; R579-Y617 HydrophobicContact CB-CD2 4.3Å; R579-Y617 HydrophobicContact CB-CE1 4.29Å; R579-Y617 HydrophobicContact CB-CE2 3.68Å; R579-Y617 HydrophobicContact CG-CD1 4.45Å; R579-Y617 HydrophobicContact CG-CD2 4.46Å; R579-Y617 HydrophobicContact CG-CE1 4.15Å; R579-Y617 HydrophobicContact CG-CE2 4.2Å; R579-Y617 PolarHBondContact NH1-OH 3Å
580G91.8Very high93Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-61-42.8173.600000113S576 T577 N578 M582 F583 F584S576-G580 PolarHBondContact O-N 3.26Å; T577-G580 WeakPolarHBondContact O-CA 3.26Å; T577-G580 PolarHBondContact O-N 3.36Å; N578-G580 VanDerWaalsContact C-N 3.33Å; G580-M582 VanDerWaalsContact C-N 3.35Å; G580-F583 PolarHBondContact O-N 3.45Å; G580-F584 WeakPolarHBondContact O-CB 3.37Å; G580-F584 PolarHBondContact O-N 2.97Å
581M95Very high92.4Very high2 Ų210.8 Ų10.81%0.016%0.06CC..Hα-helixtrans-63.2-41173.6-61.9177.386.800112F572 T577 N578 F584 L585 K688 Y808 L812F572-M581 HydrophobicContact CE1-CB 4.24Å; T577-M581 PolarHBondContact O-N 2.84Å; T577-M581 VanDerWaalsContact O-N 3.11Å; N578-M581 PolarHBondContact O-N 3.01Å; M581-F584 PolarHBondContact O-N 3.41Å; M581-L585 PolarHBondContact O-N 2.99Å; M581-K688 HydrophobicContact SD-CB 4.14Å; M581-K688 HydrophobicContact SD-CG 3.82Å; M581-Y808 HydrophobicContact CE-CD2 3.89Å; M581-Y808 WeakPolarHBondContact CE-O 3.48Å; M581-Y808 HydrophobicContact CG-CD2 3.67Å; M581-Y808 HydrophobicContact CG-CE2 3.45Å; M581-Y808 VanDerWaalsContact CG-CE2 3.45Å; M581-Y808 HydrophobicContact SD-CD2 3.97Å; M581-Y808 HydrophobicContact SD-CE2 4.15Å; M581-L812 HydrophobicContact CB-CD2 4.18Å; M581-L812 HydrophobicContact CE-CB 3.52Å; M581-L812 HydrophobicContact CE-CD2 3.5Å; M581-L812 VanDerWaalsContact CE-CD2 3.5Å; M581-L812 HydrophobicContact CE-CG 4.01Å; M581-L812 HydrophobicContact SD-CD2 4.46Å
582M94.8Very high91.5Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-61.3-50.8176.3-177.7-160.671.800111.5F572 N578 R579 G580 F584 L585 M586 L603 Y605 V615 Y617F572-M582 HydrophobicContact CD1-CB 4.14Å; F572-M582 HydrophobicContact CD2-CB 3.94Å; F572-M582 HydrophobicContact CD2-CG 3.8Å; F572-M582 HydrophobicContact CE1-CB 4.14Å; F572-M582 HydrophobicContact CE2-CB 3.93Å; F572-M582 HydrophobicContact CE2-CG 3.87Å; F572-M582 HydrophobicContact CG-CB 4.06Å; F572-M582 HydrophobicContact CG-CG 4.33Å; F572-M582 HydrophobicContact CZ-CB 4.04Å; F572-M582 HydrophobicContact CZ-CG 4.46Å; N578-M582 PolarHBondContact O-N 3.42Å; R579-M582 HydrophobicContact CG-CE 4.05Å; R579-M582 WeakPolarHBondContact O-CB 3.49Å; R579-M582 PolarHBondContact O-N 3.41Å; G580-M582 VanDerWaalsContact C-N 3.35Å; M582-F584 VanDerWaalsContact C-N 3.27Å; M582-F584 PolarHBondContact O-N 3.26Å; M582-L585 WeakPolarHBondContact O-CB 3.35Å; M582-L585 PolarHBondContact O-N 3.36Å; M582-M586 HydrophobicContact CE-SD 3.82Å; M582-M586 HydrophobicContact CG-SD 3.97Å; M582-M586 VanDerWaalsContact O-CG 3.28Å; M582-M586 WeakPolarHBondContact O-CG 3.32Å; M582-M586 PolarHBondContact O-N 3.44Å; M582-M586 HydrophobicContact SD-SD 4.25Å; M582-L603 HydrophobicContact CE-CD1 4.49Å; M582-Y605 HydrophobicContact CE-CD2 4.5Å; M582-Y605 HydrophobicContact CE-CE2 3.79Å; M582-Y605 HydrophobicContact SD-CD2 4.49Å; M582-Y605 HydrophobicContact SD-CE2 4.26Å; M582-V615 HydrophobicContact CG-CG1 3.43Å; M582-V615 VanDerWaalsContact CG-CG1 3.43Å; M582-V615 HydrophobicContact SD-CG1 3.78Å; M582-Y617 WeakPolarHBondContact SD-CB 3.21Å; M582-Y617 HydrophobicContact SD-CD2 4.38Å; M582-Y617 HydrophobicContact SD-CG 4.1Å
583F93.9Very high90.8Very high1 Ų112.1 Ų12.10%0.0047%0.069CC..Hα-helixtrans-61.5-37.9178.3-66.6-37.7000111.8R579 G580 M586 E587 L593 W596 V756 V800R579-F583 HydrophobicContact CG-CD2 4.11Å; R579-F583 HydrophobicContact CG-CE1 4.36Å; R579-F583 HydrophobicContact CG-CE2 3.56Å; R579-F583 HydrophobicContact CG-CZ 3.69Å; R579-F583 WeakPolarHBondContact O-CD2 3.27Å; R579-F583 WeakPolarHBondContact O-CG 3.47Å; R579-F583 PolarHBondContact O-N 2.93Å; G580-F583 PolarHBondContact O-N 3.45Å; F583-M586 HydrophobicContact CD1-SD 4Å; F583-M586 PolarHBondContact O-N 3.16Å; F583-E587 WeakPolarHBondContact O-CB 3.22Å; F583-E587 PolarHBondContact O-N 3.17Å; F583-L593 HydrophobicContact CB-CD2 4.23Å; F583-L593 HydrophobicContact CD1-CD1 4.3Å; F583-L593 HydrophobicContact CD1-CD2 4.49Å; F583-L593 HydrophobicContact CG-CD2 4.4Å; F583-W596 HydrophobicContact CE1-CB 4.07Å; F583-W596 HydrophobicContact CE2-CE3 4.28Å; F583-W596 HydrophobicContact CZ-CB 4.15Å; F583-W596 HydrophobicContact CZ-CE3 4.35Å; F583-V756 HydrophobicContact CD2-CG2 3.9Å; F583-V756 HydrophobicContact CE2-CG2 4.27Å; F583-V800 HydrophobicContact CB-CG2 3.58Å
584F95.1Very high89.8Confident13 Ų1316.9 Ų16.96%0.0579%0.091CC..Hα-helixtrans-62.1-45.5175.3-173.1-91.3000111.9G580 M581 M582 M586 E587 R588 Q806 E810 L813G580-F584 WeakPolarHBondContact O-CB 3.37Å; G580-F584 PolarHBondContact O-N 2.97Å; M581-F584 PolarHBondContact O-N 3.41Å; M582-F584 VanDerWaalsContact C-N 3.27Å; M582-F584 PolarHBondContact O-N 3.26Å; F584-M586 PolarHBondContact O-N 3.48Å; F584-E587 PolarHBondContact O-N 3.44Å; F584-R588 HydrophobicContact CD1-CG 3.87Å; F584-R588 HydrophobicContact CE1-CG 3.56Å; F584-R588 HydrophobicContact CE2-CG 4.38Å; F584-R588 HydrophobicContact CG-CG 4.43Å; F584-R588 HydrophobicContact CZ-CG 3.83Å; F584-R588 WeakPolarHBondContact O-CB 3.47Å; F584-R588 WeakPolarHBondContact O-CG 3.41Å; F584-R588 PolarHBondContact O-N 3.47Å; F584-Q806 HydrophobicContact CE2-CB 4.11Å; F584-Q806 HydrophobicContact CE2-CG 3.84Å; F584-Q806 HydrophobicContact CZ-CB 4.49Å; F584-Q806 HydrophobicContact CZ-CG 3.87Å; F584-E810 HydrophobicContact CE1-CG 3.94Å; F584-E810 HydrophobicContact CZ-CG 3.88Å; F584-E810 WeakPolarHBondContact CZ-OE1 3.42Å; F584-L813 HydrophobicContact CD1-CD1 4.29Å; F584-L813 HydrophobicContact CE1-CD1 3.95Å
585L95.3Very high88.6Confident1 Ų120.8 Ų20.81%0.00511%0.112CC..Hα-helixtrans-57.7-47.9173.416867.6000111.5M565 V570 F572 M581 M582 E587 R588 V589 V615 L813M565-L585 HydrophobicContact CE-CD1 3.89Å; M565-L585 HydrophobicContact CE-CD2 3.97Å; M565-L585 HydrophobicContact CE-CG 4.39Å; M565-L585 HydrophobicContact CG-CD1 4.42Å; M565-L585 HydrophobicContact SD-CD1 4.15Å; V570-L585 HydrophobicContact CG1-CD2 4.37Å; F572-L585 HydrophobicContact CE2-CD2 4.1Å; F572-L585 HydrophobicContact CZ-CD2 4.13Å; M581-L585 PolarHBondContact O-N 2.99Å; M582-L585 WeakPolarHBondContact O-CB 3.35Å; M582-L585 PolarHBondContact O-N 3.36Å; L585-E587 PolarHBondContact O-N 3.05Å; L585-R588 PolarHBondContact O-N 2.92Å; L585-V589 HydrophobicContact CD1-CG2 3.72Å; L585-V589 HydrophobicContact CG-CG2 4.42Å; L585-V589 WeakPolarHBondContact O-CB 3.46Å; L585-V589 VanDerWaalsContact O-CG2 3.26Å; L585-V589 WeakPolarHBondContact O-CG2 3.42Å; L585-V589 PolarHBondContact O-N 3.27Å; L585-V615 HydrophobicContact CD2-CG2 4.39Å; L585-L813 HydrophobicContact CB-CD2 4.14Å; L585-L813 HydrophobicContact CD1-CD2 3.38Å; L585-L813 HydrophobicContact CG-CD2 4.32Å
586M93.9Very high88Confident5 Ų524 Ų243%0.02512%0.123CC..Hα-helixtrans-59.3-46.9-179.9-68.9167.260.900111.7M582 F583 F584 N590 L593 Y605 L608M582-M586 HydrophobicContact CE-SD 3.82Å; M582-M586 HydrophobicContact CG-SD 3.97Å; M582-M586 VanDerWaalsContact O-CG 3.28Å; M582-M586 WeakPolarHBondContact O-CG 3.32Å; M582-M586 PolarHBondContact O-N 3.44Å; M582-M586 HydrophobicContact SD-SD 4.25Å; F583-M586 HydrophobicContact CD1-SD 4Å; F583-M586 PolarHBondContact O-N 3.16Å; F584-M586 PolarHBondContact O-N 3.48Å; M586-N590 VanDerWaalsContact O-CB 3.32Å; M586-N590 WeakPolarHBondContact O-CB 3.43Å; M586-N590 PolarHBondContact O-N 2.65Å; M586-L593 HydrophobicContact CB-CD1 3.92Å; M586-L593 HydrophobicContact CE-CD1 3.88Å; M586-Y605 HydrophobicContact CE-CD1 3.65Å; M586-Y605 HydrophobicContact CE-CD2 3.7Å; M586-Y605 HydrophobicContact CE-CE1 3.8Å; M586-Y605 HydrophobicContact CE-CE2 3.84Å; M586-Y605 HydrophobicContact CE-CG 3.6Å; M586-Y605 HydrophobicContact SD-CD2 3.86Å; M586-Y605 HydrophobicContact SD-CE2 4.01Å; M586-Y605 HydrophobicContact SD-CG 4.29Å; M586-L608 HydrophobicContact CB-CD2 4.13Å; M586-L608 HydrophobicContact CE-CD2 4.19Å; M586-L608 HydrophobicContact CG-CD1 3.74Å; M586-L608 HydrophobicContact CG-CD2 4.12Å
587E93.1Very high86.9Confident24 Ų2424.6 Ų24.611%0.11213%0.131CC..Hα-helixtrans-60.7-48.9175.8-175-171.915600111.2F583 F584 L585 V589 N590 G591 S592 L593 R799 V800F583-E587 WeakPolarHBondContact O-CB 3.22Å; F583-E587 PolarHBondContact O-N 3.17Å; F584-E587 PolarHBondContact O-N 3.44Å; L585-E587 PolarHBondContact O-N 3.05Å; E587-V589 PolarHBondContact O-N 2.65Å; E587-N590 PolarHBondContact O-N 3.24Å; E587-G591 CarbonylContact O-C 3.48Å; E587-G591 VanDerWaalsContact O-CA 3.25Å; E587-G591 WeakPolarHBondContact O-CA 3.05Å; E587-G591 PolarHBondContact O-N 3.03Å; E587-S592 PolarHBondContact O-N 2.87Å; E587-L593 HydrophobicContact CB-CB 4.3Å; E587-R799 WeakPolarHBondContact OE1-CG 3.37Å; E587-R799 IonicContact OE1-NE 3.77Å; E587-V800 VanDerWaalsContact OE2-CB 3.31Å; E587-V800 WeakPolarHBondContact OE2-CB 3.42Å; E587-V800 WeakPolarHBondContact OE2-CG2 3.41Å; E587-V800 PolarHBondContact OE2-N 3.48Å
588R93.6Very high85.4Confident58 Ų5833.7 Ų33.722%0.21917%0.165CC..Hα-helixtrans-65.3-37.8-175.6-69.7-73.7-77.1101.15.4112.8V556 L561 F584 L585 E810 L813V556-R588 PolarHBondContact O-NH2 2.58Å; L561-R588 HydrophobicContact CD2-CB 3.71Å; F584-R588 HydrophobicContact CD1-CG 3.87Å; F584-R588 HydrophobicContact CE1-CG 3.56Å; F584-R588 HydrophobicContact CE2-CG 4.38Å; F584-R588 HydrophobicContact CG-CG 4.43Å; F584-R588 HydrophobicContact CZ-CG 3.83Å; F584-R588 WeakPolarHBondContact O-CB 3.47Å; F584-R588 WeakPolarHBondContact O-CG 3.41Å; F584-R588 PolarHBondContact O-N 3.47Å; L585-R588 PolarHBondContact O-N 2.92Å; R588-E810 IonicContact CZ-OE1 2.93Å; R588-E810 IonicContact NE-OE1 2.68Å; R588-E810 PolarHBondContact NE-OE1 3.03Å; R588-E810 IonicContact NH2-OE1 3.13Å; R588-E810 PolarHBondContact NH2-OE1 2.98Å; R588-E810 IonicContact NH2-OE2 3.09Å; R588-L813 HydrophobicContact CB-CD1 4.14Å; R588-L813 HydrophobicContact CG-CD1 4.16Å
589V92.4Very high83.7Confident4 Ų434.5 Ų34.52%0.02417%0.171CC..Hα-helixtrans-71.3-44.2177.6172.10000111.1L561 Q562 M565 L585 E587 N609L561-V589 HydrophobicContact CD1-CG2 4.45Å; L561-V589 HydrophobicContact CD2-CG2 3.8Å; L561-V589 HydrophobicContact CG-CG2 3.83Å; Q562-V589 HydrophobicContact CG-CG1 4.43Å; Q562-V589 WeakPolarHBondContact CG-O 3.11Å; Q562-V589 PolarHBondContact NE2-O 3.05Å; M565-V589 HydrophobicContact CB-CG2 4.38Å; M565-V589 HydrophobicContact CG-CG2 4.02Å; L585-V589 HydrophobicContact CD1-CG2 3.72Å; L585-V589 HydrophobicContact CG-CG2 4.42Å; L585-V589 WeakPolarHBondContact O-CB 3.46Å; L585-V589 VanDerWaalsContact O-CG2 3.26Å; L585-V589 WeakPolarHBondContact O-CG2 3.42Å; L585-V589 PolarHBondContact O-N 3.27Å; E587-V589 PolarHBondContact O-N 2.65Å; V589-N609 HydrophobicContact CG1-CB 3.49Å; V589-N609 VanDerWaalsContact CG1-CB 3.49Å
590N89.3Confident82Confident32 Ų3239.2 Ų39.217%0.17119%0.194CC..Hα-helixtrans-91.7-11.3-173.2-150.542.3000113.9R558 M586 E587 S592R558-N590 PolarHBondContact NH2-O 3.14Å; M586-N590 VanDerWaalsContact O-CB 3.32Å; M586-N590 WeakPolarHBondContact O-CB 3.43Å; M586-N590 PolarHBondContact O-N 2.65Å; E587-N590 PolarHBondContact O-N 3.24Å; N590-S592 PolarHBondContact O-N 3.21Å
591G83.8Confident80.8Confident39 Ų3945 Ų4540%0.40222%0.221SC..SBendtrans84.7-22.6-174.700000114.5E587E587-G591 CarbonylContact O-C 3.48Å; E587-G591 VanDerWaalsContact O-CA 3.25Å; E587-G591 WeakPolarHBondContact O-CA 3.05Å; E587-G591 PolarHBondContact O-N 3.03Å
592S80.3Confident80Confident27 Ų2745.3 Ų45.319%0.18922%0.223CC..SBendtrans-151.3151.4175.862.60000109.8E587 N590E587-S592 PolarHBondContact O-N 2.87Å; N590-S592 PolarHBondContact O-N 3.21Å
593L81.9Confident79.5Confident2 Ų246 Ų461%0.0123%0.226CC..BIsolated β-bridgetrans-85.9113.5171.6-173.968000109F583 M586 E587 D595 W596 V756 F798 V800F583-L593 HydrophobicContact CB-CD2 4.23Å; F583-L593 HydrophobicContact CD1-CD1 4.3Å; F583-L593 HydrophobicContact CD1-CD2 4.49Å; F583-L593 HydrophobicContact CG-CD2 4.4Å; M586-L593 HydrophobicContact CB-CD1 3.92Å; M586-L593 HydrophobicContact CE-CD1 3.88Å; E587-L593 HydrophobicContact CB-CB 4.3Å; L593-D595 WeakPolarHBondContact CD1-O 3.49Å; L593-W596 HydrophobicContact CD2-CB 3.9Å; L593-W596 HydrophobicContact CG-CB 4.38Å; L593-V756 HydrophobicContact CD2-CG1 3.77Å; L593-V756 HydrophobicContact CD2-CG2 4.33Å; L593-F798 HydrophobicContact CB-CB 3.99Å; L593-F798 WeakPolarHBondContact CB-O 3.5Å; L593-F798 HydrophobicContact CD2-CB 4.06Å; L593-F798 HydrophobicContact CG-CB 4.21Å; L593-F798 PolarHBondContact N-O 3.01Å; L593-F798 VanDerWaalsContact N-O 3.16Å; L593-F798 WeakPolarHBondContact O-CB 3.23Å; L593-F798 WeakPolarHBondContact O-CD2 3.49Å; L593-F798 PolarHBondContact O-N 3.38Å; L593-V800 HydrophobicContact CD2-CG2 4.05Å
594Q74.6Confident79.3Confident101 Ų10149 Ų4947%0.47224%0.242SC..  trans-94.4-29.1-177.4-68.9-179.8-16.400113
595D69.7Low79Confident81 Ų8148.8 Ų48.843%0.43324%0.241SC..  trans-136133.4-177.9-175.70.1000108.7L593 Y605L593-D595 WeakPolarHBondContact CD1-O 3.49Å; D595-Y605 HydrophobicContact CB-CE1 4.08Å; D595-Y605 WeakPolarHBondContact OD2-CE1 3.47Å
596W74.6Confident78.7Confident78 Ų7856.2 Ų56.230%0.29527%0.269SS..  trans-147.9146.4174.585.5-80.1000109.6F583 L593 R598 V756 F798F583-W596 HydrophobicContact CE1-CB 4.07Å; F583-W596 HydrophobicContact CE2-CE3 4.28Å; F583-W596 HydrophobicContact CZ-CB 4.15Å; F583-W596 HydrophobicContact CZ-CE3 4.35Å; L593-W596 HydrophobicContact CD2-CB 3.9Å; L593-W596 HydrophobicContact CG-CB 4.38Å; W596-R598 HydrophobicContact CH2-CG 4.13Å; W596-R598 HydrophobicContact CZ3-CG 3.61Å; W596-V756 HydrophobicContact CB-CG1 4.37Å; W596-V756 HydrophobicContact CD2-CB 4.16Å; W596-V756 HydrophobicContact CD2-CG1 3.91Å; W596-V756 HydrophobicContact CD2-CG2 4.45Å; W596-V756 HydrophobicContact CE3-CB 4.23Å; W596-V756 HydrophobicContact CE3-CG1 4.44Å; W596-V756 HydrophobicContact CE3-CG2 4.2Å; W596-V756 HydrophobicContact CG-CG1 3.83Å; W596-F798 AromaticContact CD1-CD1 3.69Å; W596-F798 AromaticContact CD1-CD2 3.79Å; W596-F798 AromaticContact CD1-CE1 3.69Å; W596-F798 AromaticContact CD1-CE2 3.79Å; W596-F798 AromaticContact CD1-CG 3.75Å; W596-F798 AromaticContact CD1-CZ 3.74Å; W596-F798 AromaticContact NE1-CD1 3.62Å; W596-F798 AromaticContact NE1-CE1 3.35Å; W596-F798 AromaticContact NE1-CZ 3.69Å
597G61.5Low78.2Confident19 Ų1959.6 Ų59.620%0.19629%0.287CS..  trans-148.8141.8179.300000113.4A599G597-A599 VanDerWaalsContact C-N 3.3Å; G597-A599 PolarHBondContact O-N 3.25Å
598R56.5Low78.1Confident194 Ų19459 Ų5973%0.73229%0.285SS*.  trans-88.768.6163.5-61.7-175.2-176.8-1751.4108.5W596W596-R598 HydrophobicContact CH2-CG 4.13Å; W596-R598 HydrophobicContact CZ3-CG 3.61Å
599A56.5Low78Confident17 Ų1756.3 Ų56.314%0.1428%0.275CS..  trans-89.7143.9-176.900000112.8G597 L603G597-A599 VanDerWaalsContact C-N 3.3Å; G597-A599 PolarHBondContact O-N 3.25Å; A599-L603 HydrophobicContact CB-CD1 4.42Å; A599-L603 HydrophobicContact CB-CD2 3.35Å; A599-L603 HydrophobicContact CB-CG 3.92Å
600H54.8Low77.8Confident126 Ų12663.4 Ų63.458%0.58331%0.308SS*.SBendtrans-88-3.5170.5-56.5135.8000113.2W624H600-W624 HydrophobicContact CB-CZ2 3.93Å; H600-W624 AromaticContact CD2-CE2 3.91Å; H600-W624 AromaticContact CD2-CZ2 3.78Å
601H66.5Low77.8Confident120 Ų12072.1 Ų72.156%0.55634%0.338SS*.SBendtrans-106.3167.6175.364.3-91.2000111.1L603H601-L603 PolarHBondContact O-N 3.16Å
602T77.9Confident78.2Confident9 Ų974 Ų746%0.05533%0.333CS..  trans-63117175.2-51.70000110.4Y617 L640 R643T602-Y617 CarbonylContact C-O 3.54Å; T602-Y617 VanDerWaalsContact CA-O 3.24Å; T602-Y617 WeakPolarHBondContact CA-O 3.21Å; T602-Y617 WeakPolarHBondContact CG2-O 3.49Å; T602-L640 HydrophobicContact CG2-CD1 3.8Å; T602-R643 HydrophobicContact CG2-CB 4.36Å
603L84.9Confident78.8Confident14 Ų1472.9 Ų72.97%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-77142.5175.4-67.4173.1000110M582 A599 H601 Y605 S616 Y617M582-L603 HydrophobicContact CE-CD1 4.49Å; A599-L603 HydrophobicContact CB-CD1 4.42Å; A599-L603 HydrophobicContact CB-CD2 3.35Å; A599-L603 HydrophobicContact CB-CG 3.92Å; H601-L603 PolarHBondContact O-N 3.16Å; L603-Y605 HydrophobicContact CB-CE2 3.87Å; L603-Y605 HydrophobicContact CD1-CE2 4.26Å; L603-S616 CarbonylContact O-C 3.56Å; L603-S616 WeakPolarHBondContact O-CA 3.38Å; L603-S616 WeakPolarHBondContact O-CB 3.47Å; L603-Y617 HydrophobicContact CD1-CD1 3.99Å; L603-Y617 HydrophobicContact CG-CD1 4.49Å; L603-Y617 PolarHBondContact N-O 2.99Å; L603-Y617 PolarHBondContact O-N 3.11Å
604L88.6Confident79.4Confident64 Ų6473.9 Ų73.934%0.33533%0.33SS..EExtended strand (participates in β ladder)trans-140.8112179-168.366.9000110.9R606 Q614L604-R606 HydrophobicContact CG-CG 4.32Å; L604-Q614 HydrophobicContact CD1-CG 4.2Å; L604-Q614 VanDerWaalsContact CD1-NE2 3.33Å
605Y90.1Very high80.4Confident9 Ų969.1 Ų69.14%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-108.5117.8178.8-59.6-77.6000109.6M582 M586 D595 L603 Q614 V615M582-Y605 HydrophobicContact CE-CD2 4.5Å; M582-Y605 HydrophobicContact CE-CE2 3.79Å; M582-Y605 HydrophobicContact SD-CD2 4.49Å; M582-Y605 HydrophobicContact SD-CE2 4.26Å; M586-Y605 HydrophobicContact CE-CD1 3.65Å; M586-Y605 HydrophobicContact CE-CD2 3.7Å; M586-Y605 HydrophobicContact CE-CE1 3.8Å; M586-Y605 HydrophobicContact CE-CE2 3.84Å; M586-Y605 HydrophobicContact CE-CG 3.6Å; M586-Y605 HydrophobicContact SD-CD2 3.86Å; M586-Y605 HydrophobicContact SD-CE2 4.01Å; M586-Y605 HydrophobicContact SD-CG 4.29Å; D595-Y605 HydrophobicContact CB-CE1 4.08Å; D595-Y605 WeakPolarHBondContact OD2-CE1 3.47Å; L603-Y605 HydrophobicContact CB-CE2 3.87Å; L603-Y605 HydrophobicContact CD1-CE2 4.26Å; Y605-Q614 WeakPolarHBondContact O-CA 3.42Å; Y605-V615 PolarHBondContact N-O 2.75Å; Y605-V615 PolarHBondContact O-N 3.01Å
606R87.8Confident81.6Confident157 Ų15765.4 Ų65.459%0.59229%0.288SS*.EExtended strand (participates in β ladder)trans-113.6-10.1-177.2-67.4179.6175.3162.70.1113.9L604 Q614L604-R606 HydrophobicContact CG-CG 4.32Å; R606-Q614 HydrophobicContact CG-CG 4.2Å
607N84.9Confident82.6Confident76 Ų7661.7 Ų61.741%0.40627%0.274SS..EExtended strand (participates in β ladder)trans-95.213.7-174.559.7-27.9000113.6
608L89.3Confident84.1Confident11 Ų1160.9 Ų60.96%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-83.6149.4-177.1-58.6169.3000111.2M586 Q610 R611 R612 T613 V615M586-L608 HydrophobicContact CB-CD2 4.13Å; M586-L608 HydrophobicContact CE-CD2 4.19Å; M586-L608 HydrophobicContact CG-CD1 3.74Å; M586-L608 HydrophobicContact CG-CD2 4.12Å; L608-Q610 VanDerWaalsContact C-N 3.35Å; L608-Q610 PolarHBondContact O-N 3.46Å; L608-R611 CarbonylContact O-C 3.57Å; L608-R611 WeakPolarHBondContact O-CA 3.15Å; L608-R611 PolarHBondContact O-N 3.29Å; L608-R612 PolarHBondContact O-N 2.94Å; L608-T613 PolarHBondContact O-N 3.34Å; L608-T613 VanDerWaalsContact O-N 3.15Å; L608-V615 HydrophobicContact CD1-CB 3.71Å; L608-V615 HydrophobicContact CD1-CG2 3.43Å; L608-V615 VanDerWaalsContact CD1-CG2 3.43Å
609N92Very high85.7Confident2 Ų253.6 Ų53.61%0.01124%0.238CC..THydrogen-bonded Turntrans53.547.8176.4-162.615.4000113Q562 V589 R611 R612 T613Q562-N609 PolarHBondContact O-ND2 3.37Å; V589-N609 HydrophobicContact CG1-CB 3.49Å; V589-N609 VanDerWaalsContact CG1-CB 3.49Å; N609-R611 VanDerWaalsContact C-N 3.32Å; N609-R611 PolarHBondContact O-N 2.86Å; N609-R612 VanDerWaalsContact O-CB 3.28Å; N609-R612 WeakPolarHBondContact O-CB 3.47Å; N609-R612 WeakPolarHBondContact O-CG 3.33Å; N609-R612 PolarHBondContact O-N 3.22Å; N609-R612 VanDerWaalsContact O-N 3.11Å; N609-R612 PolarHBondContact O-NE 3.34Å; N609-R612 PolarHBondContact OD1-NH2 2.03Å; N609-T613 WeakPolarHBondContact CB-OG1 3.34Å; N609-T613 PolarHBondContact ND2-OG1 2.87Å
610Q89.3Confident87.4Confident154 Ų15454.2 Ų54.272%0.7224%0.237SC*.THydrogen-bonded Turntrans58.142.4-174.4-54.3169.4-2.300112.5L608 R612L608-Q610 VanDerWaalsContact C-N 3.35Å; L608-Q610 PolarHBondContact O-N 3.46Å; Q610-R612 PolarHBondContact O-N 3.28Å
611R88.8Confident89Confident214 Ų21449.1 Ų49.181%0.80822%0.215SC*.THydrogen-bonded Turntrans63.714.4-176.3-50.3-179.8179.5-165.40.1114.7L608 N609L608-R611 CarbonylContact O-C 3.57Å; L608-R611 WeakPolarHBondContact O-CA 3.15Å; L608-R611 PolarHBondContact O-N 3.29Å; N609-R611 VanDerWaalsContact C-N 3.32Å; N609-R611 PolarHBondContact O-N 2.86Å
612R91.6Very high89.8Confident78 Ų7845 Ų4529%0.29420%0.195SC..THydrogen-bonded Turntrans-90.1-11.9176.8-57.5-173.8-62.8158.4-1.8113.2S566 H567 L608 N609 Q610S566-R612 WeakPolarHBondContact OG-CD 3.44Å; S566-R612 PolarHBondContact OG-NH1 3.02Å; H567-R612 WeakPolarHBondContact CA-O 3.36Å; H567-R612 PolarHBondContact N-O 3.2Å; L608-R612 PolarHBondContact O-N 2.94Å; N609-R612 VanDerWaalsContact O-CB 3.28Å; N609-R612 WeakPolarHBondContact O-CB 3.47Å; N609-R612 WeakPolarHBondContact O-CG 3.33Å; N609-R612 PolarHBondContact O-N 3.22Å; N609-R612 VanDerWaalsContact O-N 3.11Å; N609-R612 PolarHBondContact O-NE 3.34Å; N609-R612 PolarHBondContact OD1-NH2 2.03Å; Q610-R612 PolarHBondContact O-N 3.28Å
613T93.6Very high89.8Confident4 Ų449.2 Ų49.23%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-125.5136.5-178.5-54.30000110.5M565 L608 N609 V615M565-T613 HydrophobicContact CB-CG2 4.28Å; M565-T613 HydrophobicContact CE-CG2 3.65Å; M565-T613 PolarHBondContact O-OG1 3.23Å; L608-T613 PolarHBondContact O-N 3.34Å; L608-T613 VanDerWaalsContact O-N 3.15Å; N609-T613 WeakPolarHBondContact CB-OG1 3.34Å; N609-T613 PolarHBondContact ND2-OG1 2.87Å; T613-V615 HydrophobicContact CG2-CG2 4.4Å
614Q94.6Very high89.3Confident23 Ų2353.9 Ų53.911%0.10723%0.229CC..EExtended strand (participates in β ladder)trans-112.3135.2174-171.2175.623.100110.2R568 K569 V570 L604 Y605 R606R568-Q614 PolarHBondContact O-N 3.42Å; K569-Q614 CarbonylContact C-O 3.54Å; K569-Q614 WeakPolarHBondContact CA-O 3.33Å; K569-Q614 VanDerWaalsContact CE-OE1 3.29Å; K569-Q614 HydrophobicContact CG-CB 4.16Å; V570-Q614 PolarHBondContact N-O 2.92Å; L604-Q614 HydrophobicContact CD1-CG 4.2Å; L604-Q614 VanDerWaalsContact CD1-NE2 3.33Å; Y605-Q614 WeakPolarHBondContact O-CA 3.42Å; R606-Q614 HydrophobicContact CG-CG 4.2Å
615V95.4Very high88.9Confident1 Ų153 Ų531%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-127.3133.8175177.40000109.5V570 F572 M582 L585 Y605 L608 T613V570-V615 HydrophobicContact CB-CG2 4.37Å; V570-V615 CarbonylContact O-C 3.51Å; V570-V615 VanDerWaalsContact O-CA 3.27Å; V570-V615 WeakPolarHBondContact O-CA 3.4Å; F572-V615 HydrophobicContact CD2-CG1 4.07Å; F572-V615 HydrophobicContact CE2-CG1 4.09Å; M582-V615 HydrophobicContact CG-CG1 3.43Å; M582-V615 VanDerWaalsContact CG-CG1 3.43Å; M582-V615 HydrophobicContact SD-CG1 3.78Å; L585-V615 HydrophobicContact CD2-CG2 4.39Å; Y605-V615 PolarHBondContact N-O 2.75Å; Y605-V615 PolarHBondContact O-N 3.01Å; L608-V615 HydrophobicContact CD1-CB 3.71Å; L608-V615 HydrophobicContact CD1-CG2 3.43Å; L608-V615 VanDerWaalsContact CD1-CG2 3.43Å; T613-V615 HydrophobicContact CG2-CG2 4.4Å
616S95.1Very high88.4Confident3 Ų358.8 Ų58.82%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-127.7152174.463.40000111.4V570 M571 F572 L603 L640 S644V570-S616 PolarHBondContact O-N 3.1Å; M571-S616 WeakPolarHBondContact CG-OG 3.43Å; F572-S616 PolarHBondContact N-O 3.36Å; L603-S616 CarbonylContact O-C 3.56Å; L603-S616 WeakPolarHBondContact O-CA 3.38Å; L603-S616 WeakPolarHBondContact O-CB 3.47Å; S616-L640 WeakPolarHBondContact OG-CD1 3.32Å; S616-S644 WeakPolarHBondContact CB-OG 3.43Å; S616-S644 PolarHBondContact OG-OG 3.24Å
617Y94.4Very high87.9Confident1 Ų154 Ų540%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-141.8136.5179.4170.3-89.7000112.7F572 G574 D575 N578 R579 M582 T602 L603 Y619F572-Y617 HydrophobicContact CB-CD2 3.67Å; F572-Y617 HydrophobicContact CB-CG 4.45Å; F572-Y617 CarbonylContact O-C 3.58Å; F572-Y617 VanDerWaalsContact O-CA 3.27Å; F572-Y617 WeakPolarHBondContact O-CA 3.39Å; G574-Y617 PolarHBondContact O-OH 3.24Å; D575-Y617 PolarHBondContact O-OH 2.97Å; N578-Y617 HydrophobicContact CB-CE2 4.28Å; R579-Y617 HydrophobicContact CB-CD2 4.3Å; R579-Y617 HydrophobicContact CB-CE1 4.29Å; R579-Y617 HydrophobicContact CB-CE2 3.68Å; R579-Y617 HydrophobicContact CG-CD1 4.45Å; R579-Y617 HydrophobicContact CG-CD2 4.46Å; R579-Y617 HydrophobicContact CG-CE1 4.15Å; R579-Y617 HydrophobicContact CG-CE2 4.2Å; R579-Y617 PolarHBondContact NH1-OH 3Å; M582-Y617 WeakPolarHBondContact SD-CB 3.21Å; M582-Y617 HydrophobicContact SD-CD2 4.38Å; M582-Y617 HydrophobicContact SD-CG 4.1Å; T602-Y617 CarbonylContact C-O 3.54Å; T602-Y617 VanDerWaalsContact CA-O 3.24Å; T602-Y617 WeakPolarHBondContact CA-O 3.21Å; T602-Y617 WeakPolarHBondContact CG2-O 3.49Å; L603-Y617 HydrophobicContact CD1-CD1 3.99Å; L603-Y617 HydrophobicContact CG-CD1 4.49Å; L603-Y617 PolarHBondContact N-O 2.99Å; L603-Y617 PolarHBondContact O-N 3.11Å; Y617-Y619 HydrophobicContact CE1-CD2 4.23Å; Y617-Y619 WeakPolarHBondContact OH-CD2 3.36Å
618S93.6Very high87.8Confident1 Ų155.6 Ų55.61%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-126.3124.1172.1-1660000110.6F572 I573 G574F572-S618 PolarHBondContact O-N 3.48Å; I573-S618 WeakPolarHBondContact CA-O 3.47Å; G574-S618 PolarHBondContact N-O 2.91Å; G574-S618 VanDerWaalsContact N-O 3.12Å
619Y91.1Very high87.6Confident42 Ų4260.9 Ų60.917%0.16529%0.293CS..EExtended strand (participates in β ladder)trans-74128.2176.4-163.1-76.8000110.8G574 Y617 P621 W624G574-Y619 VanDerWaalsContact O-CA 3.32Å; G574-Y619 WeakPolarHBondContact O-CA 3.4Å; Y617-Y619 HydrophobicContact CE1-CD2 4.23Å; Y617-Y619 WeakPolarHBondContact OH-CD2 3.36Å; Y619-P621 WeakPolarHBondContact CD1-O 3.45Å; Y619-P621 WeakPolarHBondContact CE1-O 3.44Å; Y619-W624 AromaticContact CD1-CH2 3.45Å; Y619-W624 HydrophobicContact CD1-CH2 3.45Å; Y619-W624 VanDerWaalsContact CD1-CH2 3.45Å; Y619-W624 AromaticContact CD1-CZ3 3.53Å; Y619-W624 HydrophobicContact CD1-CZ3 3.53Å; Y619-W624 HydrophobicContact CE1-CH2 4.12Å; Y619-W624 AromaticContact CE1-CZ3 3.69Å; Y619-W624 HydrophobicContact CE1-CZ3 3.69Å; Y619-W624 AromaticContact CG-CH2 3.72Å; Y619-W624 HydrophobicContact CG-CH2 3.72Å; Y619-W624 HydrophobicContact CG-CZ3 4.1Å
620Y91Very high87.4Confident30 Ų3066 Ų6612%0.11831%0.312CS..SBendtrans-145.9137173.4-173.2-88.1000111.4G574 P631 F633 A636 W662G574-Y620 CarbonylContact C-O 3.6Å; G574-Y620 VanDerWaalsContact C-O 3.26Å; G574-Y620 PolarHBondContact O-N 3.39Å; Y620-P631 WeakPolarHBondContact CE2-O 3.5Å; Y620-F633 AromaticContact CD1-CD2 3.8Å; Y620-F633 HydrophobicContact CD1-CD2 3.8Å; Y620-F633 HydrophobicContact CE1-CB 4.02Å; Y620-F633 AromaticContact CE1-CD2 3.73Å; Y620-F633 HydrophobicContact CE1-CD2 3.73Å; Y620-F633 HydrophobicContact CE1-CG 4.34Å; Y620-F633 HydrophobicContact CE2-CB 4.23Å; Y620-F633 HydrophobicContact CG-CD2 4.25Å; Y620-F633 PolarHBondContact OH-N 2.88Å; Y620-A636 HydrophobicContact CD2-CB 3.71Å; Y620-A636 HydrophobicContact CE2-CB 4.26Å; Y620-W662 HydrophobicContact CD1-CD2 4.22Å; Y620-W662 AromaticContact CD1-CE3 3.93Å; Y620-W662 HydrophobicContact CD1-CE3 3.93Å; Y620-W662 AromaticContact CD1-CH2 3.39Å; Y620-W662 HydrophobicContact CD1-CH2 3.39Å; Y620-W662 AromaticContact CD1-CZ2 3.66Å; Y620-W662 HydrophobicContact CD1-CZ2 3.66Å; Y620-W662 AromaticContact CD1-CZ3 3.52Å; Y620-W662 HydrophobicContact CD1-CZ3 3.52Å; Y620-W662 HydrophobicContact CE1-CD2 4.28Å; Y620-W662 AromaticContact CE1-CE3 3.7Å; Y620-W662 HydrophobicContact CE1-CE3 3.7Å; Y620-W662 AromaticContact CE1-CH2 3.92Å; Y620-W662 HydrophobicContact CE1-CH2 3.92Å; Y620-W662 HydrophobicContact CE1-CZ2 4.41Å; Y620-W662 AromaticContact CE1-CZ3 3.52Å; Y620-W662 HydrophobicContact CE1-CZ3 3.52Å; Y620-W662 HydrophobicContact CG-CH2 4.45Å; Y620-W662 WeakPolarHBondContact O-CZ2 3.11Å
621P88Confident87.5Confident18 Ų1859.7 Ų59.712%0.11729%0.285CS..SBendcis-78.8151.2-3.4-8.625.5000112.3Y619 F623 W662Y619-P621 WeakPolarHBondContact CD1-O 3.45Å; Y619-P621 WeakPolarHBondContact CE1-O 3.44Å; P621-F623 HydrophobicContact CB-CD1 4.38Å; P621-F623 HydrophobicContact CB-CE1 3.99Å; P621-F623 HydrophobicContact CB-CE2 4.21Å; P621-F623 HydrophobicContact CB-CZ 3.91Å; P621-F623 HydrophobicContact CG-CE1 3.87Å; P621-F623 HydrophobicContact CG-CE2 3.96Å; P621-F623 HydrophobicContact CG-CZ 3.44Å; P621-F623 VanDerWaalsContact CG-CZ 3.44Å; P621-F623 VanDerWaalsContact O-CD2 3.27Å; P621-F623 WeakPolarHBondContact O-CD2 3.42Å; P621-F623 PolarHBondContact O-N 3.23Å; P621-W662 HydrophobicContact CG-CB 4.5Å; P621-W662 HydrophobicContact CG-CD2 4.12Å; P621-W662 HydrophobicContact CG-CG 3.94Å
622R83.9Confident87.8Confident34 Ų3453 Ų5313%0.12827%0.268CS..  trans-83.177.7176.8-61.5-173.3-172.4162.87111W624 L625R622-W624 HydrophobicContact CB-CD2 4.29Å; R622-W624 HydrophobicContact CB-CH2 4.16Å; R622-W624 HydrophobicContact CB-CZ2 3.77Å; R622-W624 HydrophobicContact CG-CH2 3.95Å; R622-W624 HydrophobicContact CG-CZ2 3.6Å; R622-W624 PolarHBondContact O-N 2.9Å; R622-W624 VanDerWaalsContact O-N 3.13Å; R622-L625 HydrophobicContact CB-CD1 3.87Å; R622-L625 HydrophobicContact CB-CG 4.12Å; R622-L625 PolarHBondContact O-N 3.49Å; R622-L625 VanDerWaalsContact O-N 3.08Å
623F77.3Confident87.9Confident97 Ų9749.8 Ų49.843%0.42526%0.256SS..THydrogen-bonded Turntrans-61.7-20.3-174.1-62.3-72.1000114.7P621 L625 R630P621-F623 HydrophobicContact CB-CD1 4.38Å; P621-F623 HydrophobicContact CB-CE1 3.99Å; P621-F623 HydrophobicContact CB-CE2 4.21Å; P621-F623 HydrophobicContact CB-CZ 3.91Å; P621-F623 HydrophobicContact CG-CE1 3.87Å; P621-F623 HydrophobicContact CG-CE2 3.96Å; P621-F623 HydrophobicContact CG-CZ 3.44Å; P621-F623 VanDerWaalsContact CG-CZ 3.44Å; P621-F623 VanDerWaalsContact O-CD2 3.27Å; P621-F623 WeakPolarHBondContact O-CD2 3.42Å; P621-F623 PolarHBondContact O-N 3.23Å; F623-L625 VanDerWaalsContact C-N 3.3Å; F623-R630 PolarHBondContact O-NH2 3.09Å
624W76.2Confident88.1Confident112 Ų11253.7 Ų53.742%0.42427%0.27SS..THydrogen-bonded Turntrans-77.4-11.6176.857.688.5000114.2H600 Y619 R622H600-W624 HydrophobicContact CB-CZ2 3.93Å; H600-W624 AromaticContact CD2-CE2 3.91Å; H600-W624 AromaticContact CD2-CZ2 3.78Å; Y619-W624 AromaticContact CD1-CH2 3.45Å; Y619-W624 HydrophobicContact CD1-CH2 3.45Å; Y619-W624 VanDerWaalsContact CD1-CH2 3.45Å; Y619-W624 AromaticContact CD1-CZ3 3.53Å; Y619-W624 HydrophobicContact CD1-CZ3 3.53Å; Y619-W624 HydrophobicContact CE1-CH2 4.12Å; Y619-W624 AromaticContact CE1-CZ3 3.69Å; Y619-W624 HydrophobicContact CE1-CZ3 3.69Å; Y619-W624 AromaticContact CG-CH2 3.72Å; Y619-W624 HydrophobicContact CG-CH2 3.72Å; Y619-W624 HydrophobicContact CG-CZ3 4.1Å; R622-W624 HydrophobicContact CB-CD2 4.29Å; R622-W624 HydrophobicContact CB-CH2 4.16Å; R622-W624 HydrophobicContact CB-CZ2 3.77Å; R622-W624 HydrophobicContact CG-CH2 3.95Å; R622-W624 HydrophobicContact CG-CZ2 3.6Å; R622-W624 PolarHBondContact O-N 2.9Å; R622-W624 VanDerWaalsContact O-N 3.13Å
625L80Confident88.1Confident45 Ų4557.8 Ų57.824%0.23629%0.29CS..SBendtrans-86.7150171.9-61.2177.8000110.1R622 F623 Q629 R630R622-L625 HydrophobicContact CB-CD1 3.87Å; R622-L625 HydrophobicContact CB-CG 4.12Å; R622-L625 PolarHBondContact O-N 3.49Å; R622-L625 VanDerWaalsContact O-N 3.08Å; F623-L625 VanDerWaalsContact C-N 3.3Å; L625-Q629 HydrophobicContact CB-CB 4.43Å; L625-R630 HydrophobicContact CB-CG 3.88Å; L625-R630 PolarHBondContact O-NE 3.11Å; L625-R630 PolarHBondContact O-NH2 3.26Å; L625-R630 VanDerWaalsContact O-NH2 3.11Å
626E79.5Confident88.1Confident131 Ų13157.8 Ų57.861%0.61229%0.289SS*.  trans-62.9153.3169.7-71.9-168.8167.200111.4S628 Q629 R630E626-S628 VanDerWaalsContact C-N 3.26Å; E626-S628 PolarHBondContact O-N 3.06Å; E626-S628 VanDerWaalsContact O-N 3.16Å; E626-Q629 PolarHBondContact O-N 2.97Å; E626-R630 WeakPolarHBondContact O-CG 3.18Å; E626-R630 PolarHBondContact O-N 3.35Å; E626-R630 VanDerWaalsContact O-N 3.11Å
627G77.6Confident88.2Confident58 Ų5857.6 Ų57.660%0.59829%0.288SS*.G310 helixtrans-52.4-41.4-173.900000114.1Q629G627-Q629 VanDerWaalsContact C-N 3.32Å; G627-Q629 PolarHBondContact O-N 3.15Å
628S81.9Confident88.3Confident109 Ų10959.9 Ų59.976%0.76230%0.3SS*.G310 helixtrans-70.1-24.2178.453.20000114.1E626E626-S628 VanDerWaalsContact C-N 3.26Å; E626-S628 PolarHBondContact O-N 3.06Å; E626-S628 VanDerWaalsContact O-N 3.16Å
629Q85.1Confident88.4Confident122 Ų12262.9 Ų62.957%0.5731%0.314SS*.G310 helixtrans-97.3-8.4-177.8-60.4-179.48.500112.8L625 E626 G627L625-Q629 HydrophobicContact CB-CB 4.43Å; E626-Q629 PolarHBondContact O-N 2.97Å; G627-Q629 VanDerWaalsContact C-N 3.32Å; G627-Q629 PolarHBondContact O-N 3.15Å
630R88.2Confident88.6Confident108 Ų10860.9 Ų60.941%0.40831%0.306SS..SBendtrans-69.7123.9180-76.3173.5-168.2176.74.6109.8F623 L625 E626F623-R630 PolarHBondContact O-NH2 3.09Å; L625-R630 HydrophobicContact CB-CG 3.88Å; L625-R630 PolarHBondContact O-NE 3.11Å; L625-R630 PolarHBondContact O-NH2 3.26Å; L625-R630 VanDerWaalsContact O-NH2 3.11Å; E626-R630 WeakPolarHBondContact O-CG 3.18Å; E626-R630 PolarHBondContact O-N 3.35Å; E626-R630 VanDerWaalsContact O-N 3.11Å
631P90.8Very high88.9Confident23 Ų2359.4 Ų59.415%0.14930%0.301CS..PPolyproline II helixtrans-63.4145.7174.527.3-33.7000109.9Y620 Q635Y620-P631 WeakPolarHBondContact CE2-O 3.5Å; P631-Q635 HydrophobicContact CB-CB 4.09Å
632T94.2Very high89.3Confident74 Ų7462.9 Ų62.945%0.45432%0.318SS..PPolyproline II helixtrans-65.3159.1168.166.70000110R634 Q635 A636T632-R634 PolarHBondContact O-N 3.34Å; T632-Q635 PolarHBondContact O-N 2.84Å; T632-Q635 VanDerWaalsContact O-N 3.12Å; T632-Q635 WeakPolarHBondContact OG1-CG 3.03Å; T632-Q635 PolarHBondContact OG1-N 2.77Å; T632-Q635 PolarHBondContact OG1-OE1 2.88Å; T632-A636 PolarHBondContact O-N 2.02Å
633F95.5Very high89.8Confident9 Ų967.1 Ų67.14%0.03933%0.334CS..Hα-helixtrans-55.4-42177178.8-105.4000111.8I573 Y620 Q635 A636 L637 V657 W662 H667 T670 V671I573-F633 HydrophobicContact CD1-CD2 4.38Å; I573-F633 HydrophobicContact CD1-CE2 3.94Å; I573-F633 HydrophobicContact CG1-CE2 4.34Å; Y620-F633 AromaticContact CD1-CD2 3.8Å; Y620-F633 HydrophobicContact CD1-CD2 3.8Å; Y620-F633 HydrophobicContact CE1-CB 4.02Å; Y620-F633 AromaticContact CE1-CD2 3.73Å; Y620-F633 HydrophobicContact CE1-CD2 3.73Å; Y620-F633 HydrophobicContact CE1-CG 4.34Å; Y620-F633 HydrophobicContact CE2-CB 4.23Å; Y620-F633 HydrophobicContact CG-CD2 4.25Å; Y620-F633 PolarHBondContact OH-N 2.88Å; F633-Q635 PolarHBondContact O-N 2.89Å; F633-A636 PolarHBondContact O-N 2.9Å; F633-L637 HydrophobicContact CE1-CD2 4.36Å; F633-L637 WeakPolarHBondContact O-CB 3.43Å; F633-L637 PolarHBondContact O-N 3.11Å; F633-V657 HydrophobicContact CE2-CG1 4.23Å; F633-V657 HydrophobicContact CZ-CG1 3.87Å; F633-W662 HydrophobicContact CD2-CH2 4.05Å; F633-W662 AromaticContact CD2-CZ3 3.9Å; F633-W662 HydrophobicContact CD2-CZ3 3.9Å; F633-W662 AromaticContact CE2-CH2 3.86Å; F633-W662 HydrophobicContact CE2-CH2 3.86Å; F633-W662 HydrophobicContact CE2-CZ3 4.04Å; F633-H667 HydrophobicContact CD1-CB 4.21Å; F633-H667 AromaticContact CD1-CD2 3.8Å; F633-H667 HydrophobicContact CE1-CB 4.14Å; F633-H667 AromaticContact CG-CD2 3.61Å; F633-T670 HydrophobicContact CD1-CG2 4.02Å; F633-T670 HydrophobicContact CE1-CG2 4.49Å; F633-V671 HydrophobicContact CE1-CG2 3.71Å; F633-V671 HydrophobicContact CZ-CG2 3.85Å
634R97.1Very high90.6Very high87 Ų8762.5 Ų62.533%0.32831%0.314SS..Hα-helixtrans-56.4-49.5174.6178.9179.8-67.9-85.81.5112.2T632 A636 L637 L638 T670 D673 V674T632-R634 PolarHBondContact O-N 3.34Å; R634-A636 VanDerWaalsContact C-N 3.34Å; R634-A636 PolarHBondContact O-N 2.71Å; R634-L637 PolarHBondContact O-N 3Å; R634-L638 HydrophobicContact CG-CD1 3.98Å; R634-L638 WeakPolarHBondContact O-CB 3.11Å; R634-L638 WeakPolarHBondContact O-CG 3.47Å; R634-L638 PolarHBondContact O-N 3.36Å; R634-T670 HydrophobicContact CB-CG2 3.89Å; R634-T670 HydrophobicContact CG-CG2 4.46Å; R634-D673 IonicContact CZ-OD2 3.75Å; R634-D673 IonicContact NH1-OD2 3.74Å; R634-D673 PolarHBondContact NH1-OD2 3.45Å; R634-D673 IonicContact NH2-OD2 2.83Å; R634-D673 PolarHBondContact NH2-OD2 2.9Å; R634-V674 HydrophobicContact CG-CG2 3.93Å; R634-V674 VanDerWaalsContact NH1-CG2 3.33Å
635Q95.2Very high91.4Very high109 Ų10962 Ų6251%0.50931%0.312SS..Hα-helixtrans-62-42.3179.1-74.1167.4-22.800111.6P631 T632 F633 Q639P631-Q635 HydrophobicContact CB-CB 4.09Å; T632-Q635 PolarHBondContact O-N 2.84Å; T632-Q635 VanDerWaalsContact O-N 3.12Å; T632-Q635 WeakPolarHBondContact OG1-CG 3.03Å; T632-Q635 PolarHBondContact OG1-N 2.77Å; T632-Q635 PolarHBondContact OG1-OE1 2.88Å; F633-Q635 PolarHBondContact O-N 2.89Å; Q635-Q639 WeakPolarHBondContact O-CB 3.43Å; Q635-Q639 PolarHBondContact O-N 3Å
636A94.6Very high92.1Very high0 Ų064.7 Ų64.70%033%0.332CS..Hα-helixtrans-65.1-38.9177.900000112.4I573 Y620 T632 F633 R634 L640I573-A636 HydrophobicContact CD1-CB 4.07Å; Y620-A636 HydrophobicContact CD2-CB 3.71Å; Y620-A636 HydrophobicContact CE2-CB 4.26Å; T632-A636 PolarHBondContact O-N 2.02Å; F633-A636 PolarHBondContact O-N 2.9Å; R634-A636 VanDerWaalsContact C-N 3.34Å; R634-A636 PolarHBondContact O-N 2.71Å; A636-L640 PolarHBondContact O-N 3.11Å; A636-L640 VanDerWaalsContact O-N 3.1Å
637L96.9Very high92.9Very high0 Ų059.6 Ų59.60%031%0.309CS..Hα-helixtrans-66.9-48.1176.1179.959000111.7I573 F633 R634 Q639 L640 I641 L655 V671 V674I573-L637 HydrophobicContact CD1-CB 4.18Å; I573-L637 HydrophobicContact CG2-CD1 4.43Å; F633-L637 HydrophobicContact CE1-CD2 4.36Å; F633-L637 WeakPolarHBondContact O-CB 3.43Å; F633-L637 PolarHBondContact O-N 3.11Å; R634-L637 PolarHBondContact O-N 3Å; L637-Q639 VanDerWaalsContact C-N 3.3Å; L637-Q639 PolarHBondContact O-N 3.29Å; L637-L640 WeakPolarHBondContact O-CB 3.07Å; L637-L640 PolarHBondContact O-N 2.94Å; L637-L640 VanDerWaalsContact O-N 3.12Å; L637-I641 HydrophobicContact CD1-CD1 4.2Å; L637-I641 HydrophobicContact CD1-CG1 4.4Å; L637-I641 HydrophobicContact CG-CD1 4.05Å; L637-I641 WeakPolarHBondContact O-CG1 3.34Å; L637-I641 PolarHBondContact O-N 3.12Å; L637-L655 HydrophobicContact CD1-CD1 4.02Å; L637-L655 HydrophobicContact CD1-CD2 3.9Å; L637-V671 HydrophobicContact CD2-CB 4.44Å; L637-V671 HydrophobicContact CD2-CG2 4.13Å; L637-V674 HydrophobicContact CD2-CB 3.86Å; L637-V674 HydrophobicContact CD2-CG1 3.84Å; L637-V674 HydrophobicContact CD2-CG2 4.16Å; L637-V674 HydrophobicContact CG-CG1 4.04Å
638L97.2Very high93.8Very high49 Ų4962.7 Ų62.726%0.25731%0.308SS..Hα-helixtrans-59.9-40.7175.8-74.6169.5000111.8R634 L640 I641 N642 V674 E678R634-L638 HydrophobicContact CG-CD1 3.98Å; R634-L638 WeakPolarHBondContact O-CB 3.11Å; R634-L638 WeakPolarHBondContact O-CG 3.47Å; R634-L638 PolarHBondContact O-N 3.36Å; L638-L640 VanDerWaalsContact C-N 3.32Å; L638-L640 PolarHBondContact O-N 3.23Å; L638-I641 PolarHBondContact O-N 2.85Å; L638-N642 WeakPolarHBondContact O-CB 3.5Å; L638-N642 PolarHBondContact O-N 3.39Å; L638-V674 HydrophobicContact CD2-CG1 3.72Å; L638-V674 HydrophobicContact CG-CG1 4.17Å; L638-E678 HydrophobicContact CD2-CG 3.98Å; L638-E678 WeakPolarHBondContact CD2-OE1 3.49Å
639Q94.9Very high94.5Very high63 Ų6360.7 Ų60.729%0.29429%0.289SS..Hα-helixtrans-60.8-41.5175.3-174.9177.337.300111.8Q635 L637 R643Q635-Q639 WeakPolarHBondContact O-CB 3.43Å; Q635-Q639 PolarHBondContact O-N 3Å; L637-Q639 VanDerWaalsContact C-N 3.3Å; L637-Q639 PolarHBondContact O-N 3.29Å; Q639-R643 WeakPolarHBondContact O-CB 3.19Å; Q639-R643 WeakPolarHBondContact O-CG 3.12Å; Q639-R643 PolarHBondContact O-N 2.91Å
640L96.1Very high95Very high0 Ų056.4 Ų56.40%027%0.272CS..Hα-helixtrans-65.3-46.8176.8177.261.4000111.7M571 F572 I573 T602 S616 A636 L637 L638 R643 S644 L655M571-L640 HydrophobicContact CB-CD2 4.02Å; M571-L640 HydrophobicContact CB-CG 4.21Å; F572-L640 VanDerWaalsContact O-CD2 3.3Å; F572-L640 WeakPolarHBondContact O-CD2 3.31Å; I573-L640 HydrophobicContact CB-CD2 3.77Å; I573-L640 HydrophobicContact CG2-CD2 4.39Å; T602-L640 HydrophobicContact CG2-CD1 3.8Å; S616-L640 WeakPolarHBondContact OG-CD1 3.32Å; A636-L640 PolarHBondContact O-N 3.11Å; A636-L640 VanDerWaalsContact O-N 3.1Å; L637-L640 WeakPolarHBondContact O-CB 3.07Å; L637-L640 PolarHBondContact O-N 2.94Å; L637-L640 VanDerWaalsContact O-N 3.12Å; L638-L640 VanDerWaalsContact C-N 3.32Å; L638-L640 PolarHBondContact O-N 3.23Å; L640-R643 PolarHBondContact O-N 2.88Å; L640-S644 VanDerWaalsContact O-CB 3.29Å; L640-S644 WeakPolarHBondContact O-CB 3.31Å; L640-S644 PolarHBondContact O-N 2.86Å; L640-S644 PolarHBondContact O-OG 3.48Å; L640-L655 HydrophobicContact CD2-CD1 4.41Å
641I96.8Very high95.1Very high0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-57.6-53.4177.1-71171.4000109.7L637 L638 R643 S644 R645 L647 V674 L675 E678 L680L637-I641 HydrophobicContact CD1-CD1 4.2Å; L637-I641 HydrophobicContact CD1-CG1 4.4Å; L637-I641 HydrophobicContact CG-CD1 4.05Å; L637-I641 WeakPolarHBondContact O-CG1 3.34Å; L637-I641 PolarHBondContact O-N 3.12Å; L638-I641 PolarHBondContact O-N 2.85Å; I641-R643 VanDerWaalsContact C-N 3.35Å; I641-R643 PolarHBondContact O-N 2.82Å; I641-S644 PolarHBondContact O-N 3.22Å; I641-R645 PolarHBondContact O-N 3.18Å; I641-L647 HydrophobicContact CB-CD1 4.46Å; I641-L647 HydrophobicContact CG2-CD1 3.85Å; I641-V674 HydrophobicContact CD1-CG1 3.64Å; I641-L675 HydrophobicContact CD1-CD2 4.35Å; I641-E678 HydrophobicContact CD1-CG 4.45Å; I641-E678 HydrophobicContact CG2-CG 4.39Å; I641-L680 HydrophobicContact CG2-CD1 4.08Å
642N95.6Very high95.3Very high91 Ų9157 Ų5749%0.48728%0.28SS..Hα-helixtrans-60.2-41.3-178.2-78.1-18.9000112.9L638 S644L638-N642 WeakPolarHBondContact O-CB 3.5Å; L638-N642 PolarHBondContact O-N 3.39Å; N642-S644 VanDerWaalsContact C-N 3.26Å; N642-S644 PolarHBondContact O-N 3.35Å
643R94.4Very high95.4Very high122 Ų12253.5 Ų53.546%0.4626%0.259SS..Hα-helixtrans-71.8-19.7176.8-73.9-174.9172.5-152.2-0.9113.9T602 Q639 L640 I641T602-R643 HydrophobicContact CG2-CB 4.36Å; Q639-R643 WeakPolarHBondContact O-CB 3.19Å; Q639-R643 WeakPolarHBondContact O-CG 3.12Å; Q639-R643 PolarHBondContact O-N 2.91Å; L640-R643 PolarHBondContact O-N 2.88Å; I641-R643 VanDerWaalsContact C-N 3.35Å; I641-R643 PolarHBondContact O-N 2.82Å
644S94.9Very high95.6Very high1 Ų153.1 Ų53.11%0.00726%0.257CS..Hα-helixtrans-93.9-6.9-178.6-54.30000113.1S616 L640 I641 N642 L647S616-S644 WeakPolarHBondContact CB-OG 3.43Å; S616-S644 PolarHBondContact OG-OG 3.24Å; L640-S644 VanDerWaalsContact O-CB 3.29Å; L640-S644 WeakPolarHBondContact O-CB 3.31Å; L640-S644 PolarHBondContact O-N 2.86Å; L640-S644 PolarHBondContact O-OG 3.48Å; I641-S644 PolarHBondContact O-N 3.22Å; N642-S644 VanDerWaalsContact C-N 3.26Å; N642-S644 PolarHBondContact O-N 3.35Å; S644-L647 WeakPolarHBondContact O-CD2 3.44Å
645R93.9Very high95.6Very high102 Ų10249 Ų4939%0.38524%0.242SC..  trans-57.2149.7177.7-74.9-174.5178.9-78.3-0.9112.2I641 L647 E678I641-R645 PolarHBondContact O-N 3.18Å; R645-L647 HydrophobicContact CG-CG 4.43Å; R645-E678 IonicContact CZ-OE2 2.67Å; R645-E678 IonicContact NH2-OE2 3.78Å; R645-E678 PolarHBondContact NH2-OE2 3.37Å
646P94.6Very high95.8Very high101 Ų10143.8 Ų43.866%0.65622%0.218SC*.SBendcis-72.9147.70.629.9-35.2000112.7K569K569-P646 VanDerWaalsContact CD-O 3.27Å; K569-P646 WeakPolarHBondContact CD-O 3.43Å; K569-P646 WeakPolarHBondContact CE-O 3.46Å; K569-P646 PolarHBondContact NZ-O 2.86Å
647L96Very high95.9Very high23 Ų2343.8 Ų43.812%0.1222%0.218CC..  trans-126.2143.3178.7-63.2175.2000109.2K569 M571 I641 S644 R645 T653 L680K569-L647 HydrophobicContact CB-CD2 4.32Å; K569-L647 HydrophobicContact CD-CD2 3.84Å; M571-L647 HydrophobicContact CE-CD1 4Å; M571-L647 HydrophobicContact CE-CD2 4.42Å; M571-L647 HydrophobicContact SD-CD1 3.74Å; M571-L647 HydrophobicContact SD-CD2 3.99Å; I641-L647 HydrophobicContact CB-CD1 4.46Å; I641-L647 HydrophobicContact CG2-CD1 3.85Å; S644-L647 WeakPolarHBondContact O-CD2 3.44Å; R645-L647 HydrophobicContact CG-CG 4.43Å; L647-T653 HydrophobicContact CB-CG2 4.43Å; L647-T653 HydrophobicContact CD2-CG2 4.03Å; L647-L680 HydrophobicContact CB-CD1 4.32Å; L647-L680 HydrophobicContact CB-CD2 3.98Å; L647-L680 HydrophobicContact CD1-CD1 3.76Å
648E95.3Very high95.7Very high124 Ų12443.8 Ų43.858%0.57922%0.218SC*.  trans-100.4139.2176.4-67.6177-168.700110.2S650 T653E648-S650 PolarHBondContact O-N 2.81Å; E648-T653 PolarHBondContact N-OG1 3.45Å; E648-T653 VanDerWaalsContact O-CB 3.25Å; E648-T653 WeakPolarHBondContact O-CB 3.21Å; E648-T653 PolarHBondContact O-OG1 3.34Å
649N96.4Very high95.3Very high67 Ų6741.5 Ų41.536%0.35821%0.205SC..SBendtrans-79.273.6173.3-174.338000110.3S679 L680 S681 D682N649-S679 WeakPolarHBondContact CB-O 3.24Å; N649-L680 HydrophobicContact CB-CD2 4.37Å; N649-L680 WeakPolarHBondContact OD1-CA 3.43Å; N649-S681 PolarHBondContact OD1-N 2.84Å; N649-S681 VanDerWaalsContact OD1-N 3.08Å; N649-D682 PolarHBondContact ND2-OD2 2.92Å; N649-D682 WeakPolarHBondContact OD1-CA 3.47Å; N649-D682 WeakPolarHBondContact OD1-CB 3.21Å; N649-D682 PolarHBondContact OD1-N 2.82Å
650S95.7Very high94.9Very high32 Ų3238.7 Ų38.722%0.22419%0.193CC..SBendtrans-160177.2-179.476.10000110.5E648 Q652 T653 D682E648-S650 PolarHBondContact O-N 2.81Å; S650-Q652 PolarHBondContact O-N 3.05Å; S650-Q652 WeakPolarHBondContact OG-CB 2.99Å; S650-Q652 PolarHBondContact OG-N 2.78Å; S650-Q652 VanDerWaalsContact OG-N 3.12Å; S650-T653 PolarHBondContact O-N 3.49Å; S650-T653 VanDerWaalsContact O-N 3.1Å; S650-D682 CarbonylContact C-O 3.38Å; S650-D682 VanDerWaalsContact C-O 3.28Å
651N91.6Very high94.4Very high91 Ų9141.3 Ų41.349%0.48721%0.205SC..THydrogen-bonded Turntrans-64.5-5.2172704.6000114.7T653N651-T653 VanDerWaalsContact C-N 3.32Å
652Q93.9Very high94.1Very high52 Ų5243.1 Ų43.124%0.24321%0.212CC..THydrogen-bonded Turntrans-74.7-26.1172.2-62-59.8-49.800112S566 R568 K569 S650S566-Q652 PolarHBondContact O-OE1 3.35Å; R568-Q652 CarbonylContact C-O 3.56Å; R568-Q652 VanDerWaalsContact CA-O 3.23Å; R568-Q652 WeakPolarHBondContact CA-O 3.41Å; R568-Q652 WeakPolarHBondContact CB-O 3.25Å; K569-Q652 PolarHBondContact N-O 3.31Å; S650-Q652 PolarHBondContact O-N 3.05Å; S650-Q652 WeakPolarHBondContact OG-CB 2.99Å; S650-Q652 PolarHBondContact OG-N 2.78Å; S650-Q652 VanDerWaalsContact OG-N 3.12Å
653T97.5Very high94.1Very high1 Ų139 Ų391%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-93.3132.1168.4-57.30000108.3K569 M571 L647 E648 S650 N651 V683 L684K569-T653 WeakPolarHBondContact O-CA 3.36Å; M571-T653 HydrophobicContact CE-CG2 3.55Å; L647-T653 HydrophobicContact CB-CG2 4.43Å; L647-T653 HydrophobicContact CD2-CG2 4.03Å; E648-T653 PolarHBondContact N-OG1 3.45Å; E648-T653 VanDerWaalsContact O-CB 3.25Å; E648-T653 WeakPolarHBondContact O-CB 3.21Å; E648-T653 PolarHBondContact O-OG1 3.34Å; S650-T653 PolarHBondContact O-N 3.49Å; S650-T653 VanDerWaalsContact O-N 3.1Å; N651-T653 VanDerWaalsContact C-N 3.32Å; T653-V683 HydrophobicContact CG2-CB 4.5Å; T653-V683 HydrophobicContact CG2-CG1 3.88Å; T653-V683 HydrophobicContact CG2-CG2 3.79Å; T653-V683 WeakPolarHBondContact O-CG1 3.48Å; T653-L684 PolarHBondContact O-N 2.68Å; T653-L684 VanDerWaalsContact O-N 3.15Å
654V98.1Very high94.1Very high0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-127.6133.8-179.7-178.90000109K569 V570 M571 V656 L684 L816K569-V654 PolarHBondContact O-N 3.36Å; V570-V654 HydrophobicContact CB-CB 4.38Å; V570-V654 HydrophobicContact CG1-CB 4.09Å; V570-V654 HydrophobicContact CG1-CG1 4.06Å; V570-V654 HydrophobicContact CG2-CB 4.09Å; V570-V654 HydrophobicContact CG2-CG2 4.29Å; M571-V654 PolarHBondContact N-O 3.39Å; V654-V656 HydrophobicContact CG1-CG2 4.08Å; V654-L684 CarbonylContact C-O 3.44Å; V654-L684 VanDerWaalsContact CA-O 3.3Å; V654-L684 WeakPolarHBondContact CA-O 3.19Å; V654-L684 HydrophobicContact CG1-CD2 4.47Å; V654-L684 HydrophobicContact CG1-CG 4.47Å; V654-L684 HydrophobicContact CG2-CB 4.3Å; V654-L684 HydrophobicContact CG2-CD2 4.25Å; V654-L816 HydrophobicContact CG1-CD2 3.54Å; V654-L816 HydrophobicContact CG2-CD2 4.47Å
655L98.4Very high94.2Very high0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-116.4116172.1178.664.3000110.3M571 I573 L637 L640 V657 V671 L675 V683 L684 V685 V686M571-L655 HydrophobicContact CB-CD1 4.02Å; M571-L655 HydrophobicContact CE-CB 4.37Å; M571-L655 HydrophobicContact CE-CD1 4.48Å; M571-L655 CarbonylContact O-C 2.71Å; M571-L655 WeakPolarHBondContact O-CA 3.04Å; I573-L655 HydrophobicContact CG2-CD1 4.16Å; L637-L655 HydrophobicContact CD1-CD1 4.02Å; L637-L655 HydrophobicContact CD1-CD2 3.9Å; L640-L655 HydrophobicContact CD2-CD1 4.41Å; L655-V657 HydrophobicContact CD1-CG2 4.2Å; L655-V657 HydrophobicContact CD2-CG2 3.91Å; L655-V657 HydrophobicContact CG-CG2 3.72Å; L655-V671 HydrophobicContact CD2-CG1 3.67Å; L655-L675 HydrophobicContact CD2-CD1 4.31Å; L655-L675 HydrophobicContact CD2-CD2 4.39Å; L655-V683 HydrophobicContact CB-CG1 4.27Å; L655-L684 PolarHBondContact N-O 3.07Å; L655-V685 HydrophobicContact CB-CG2 4.46Å; L655-V685 CarbonylContact O-C 3.5Å; L655-V685 WeakPolarHBondContact O-CA 3.18Å; L655-V686 PolarHBondContact O-N 3.23Å
656V98.3Very high94.4Very high1 Ų137 Ų371%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-103.4112.5174.4-172.40000109.6V570 M571 F572 I573 V654 V686 L812V570-V656 HydrophobicContact CG1-CG2 4.09Å; M571-V656 PolarHBondContact O-N 3.26Å; F572-V656 WeakPolarHBondContact CA-O 3.07Å; F572-V656 HydrophobicContact CD1-CB 3.58Å; F572-V656 HydrophobicContact CD1-CG1 3.76Å; F572-V656 HydrophobicContact CD1-CG2 4.17Å; F572-V656 HydrophobicContact CE1-CB 3.69Å; F572-V656 HydrophobicContact CE1-CG1 3.7Å; F572-V656 HydrophobicContact CE1-CG2 3.82Å; F572-V656 HydrophobicContact CE2-CG2 4.49Å; F572-V656 HydrophobicContact CG-CB 4.13Å; F572-V656 HydrophobicContact CZ-CB 4.32Å; F572-V656 HydrophobicContact CZ-CG2 3.99Å; I573-V656 PolarHBondContact N-O 3.04Å; V654-V656 HydrophobicContact CG1-CG2 4.08Å; V656-V686 CarbonylContact C-O 3.55Å; V656-V686 VanDerWaalsContact CA-O 3.31Å; V656-V686 WeakPolarHBondContact CA-O 3.4Å; V656-V686 HydrophobicContact CG2-CB 4.43Å; V656-L812 HydrophobicContact CG2-CD1 4.43Å
657V97.6Very high94.5Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-109.8133.6-179.2-175.50000109.5I573 F633 L655 L663 V671 V686 V687 K688I573-V657 HydrophobicContact CG2-CB 4.15Å; I573-V657 HydrophobicContact CG2-CG1 4.08Å; I573-V657 HydrophobicContact CG2-CG2 3.7Å; I573-V657 WeakPolarHBondContact O-CA 3.44Å; F633-V657 HydrophobicContact CE2-CG1 4.23Å; F633-V657 HydrophobicContact CZ-CG1 3.87Å; L655-V657 HydrophobicContact CD1-CG2 4.2Å; L655-V657 HydrophobicContact CD2-CG2 3.91Å; L655-V657 HydrophobicContact CG-CG2 3.72Å; V657-L663 HydrophobicContact CG1-CD1 3.92Å; V657-L663 HydrophobicContact CG1-CD2 4.42Å; V657-V671 HydrophobicContact CG2-CG2 4.06Å; V657-V686 PolarHBondContact N-O 3.06Å; V657-V687 CarbonylContact O-C 3.53Å; V657-V687 WeakPolarHBondContact O-CA 3.41Å; V657-K688 PolarHBondContact O-N 3.48Å
658G93.6Very high94.6Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-162.2154.7176.400000115.6I573 G574 N578 W662 K688I573-G658 PolarHBondContact O-N 3.2Å; G574-G658 WeakPolarHBondContact CA-O 3.35Å; N578-G658 WeakPolarHBondContact ND2-CA 3.25Å; N578-G658 PolarHBondContact ND2-N 2.87Å; N578-G658 WeakPolarHBondContact OD1-CA 3.39Å; N578-G658 PolarHBondContact OD1-O 3.26Å; G658-W662 WeakPolarHBondContact O-CZ2 3.3Å; G658-K688 WeakPolarHBondContact CA-O 3.34Å
659G88.4Confident94.8Very high0 Ų032.6 Ų32.60%016%0.162CC..  trans-162.9129.1177.600000111.3D575 Q661 W662 L690D575-G659 VanDerWaalsContact OD2-CA 3.31Å; D575-G659 WeakPolarHBondContact OD2-CA 3.3Å; G659-Q661 VanDerWaalsContact C-N 3.3Å; G659-Q661 PolarHBondContact O-N 3.34Å; G659-W662 VanDerWaalsContact CA-NE1 3.33Å; G659-L690 VanDerWaalsContact O-CD2 3.23Å; G659-L690 WeakPolarHBondContact O-CD2 3.43Å
660V85.6Confident94.8Very high4 Ų430.9 Ų30.92%0.02415%0.154CC..SBendtrans-62-34.6-175.3169.60000112.5D575 T577 L690 G691 F694D575-V660 WeakPolarHBondContact OD2-CG2 3.43Å; D575-V660 PolarHBondContact OD2-N 3.35Å; T577-V660 VanDerWaalsContact OG1-CG2 3.3Å; T577-V660 WeakPolarHBondContact OG1-CG2 3.24Å; V660-L690 WeakPolarHBondContact O-CB 3.26Å; V660-G691 VanDerWaalsContact CG1-O 3.27Å; V660-G691 WeakPolarHBondContact CG1-O 3.39Å; V660-G691 PolarHBondContact O-N 2.8Å; V660-F694 HydrophobicContact CB-CE2 4.34Å; V660-F694 HydrophobicContact CG1-CD2 4.11Å; V660-F694 HydrophobicContact CG1-CE2 3.97Å
661Q86.3Confident95Very high56 Ų5629.3 Ų29.326%0.26214%0.143SC..SBendtrans-142.2-7.3-17366.2175.9-800116.7G659 F694 L712G659-Q661 VanDerWaalsContact C-N 3.3Å; G659-Q661 PolarHBondContact O-N 3.34Å; Q661-F694 HydrophobicContact CB-CD2 4.35Å; Q661-F694 VanDerWaalsContact CD-CE2 3.45Å; Q661-F694 HydrophobicContact CG-CD2 3.97Å; Q661-F694 HydrophobicContact CG-CE2 3.88Å; Q661-F694 VanDerWaalsContact NE2-CE2 3.31Å; Q661-F694 VanDerWaalsContact NE2-CZ 3.35Å; Q661-F694 VanDerWaalsContact OE1-CD2 3.22Å; Q661-L712 HydrophobicContact CB-CD2 4.46Å
662W89.8Confident95.3Very high37 Ų3727.1 Ų27.114%0.1413%0.13CC..SBendtrans-112.8-18-172.461.7-94.9000113.2Y620 P621 F633 G658 G659 H667Y620-W662 HydrophobicContact CD1-CD2 4.22Å; Y620-W662 AromaticContact CD1-CE3 3.93Å; Y620-W662 HydrophobicContact CD1-CE3 3.93Å; Y620-W662 AromaticContact CD1-CH2 3.39Å; Y620-W662 HydrophobicContact CD1-CH2 3.39Å; Y620-W662 AromaticContact CD1-CZ2 3.66Å; Y620-W662 HydrophobicContact CD1-CZ2 3.66Å; Y620-W662 AromaticContact CD1-CZ3 3.52Å; Y620-W662 HydrophobicContact CD1-CZ3 3.52Å; Y620-W662 HydrophobicContact CE1-CD2 4.28Å; Y620-W662 AromaticContact CE1-CE3 3.7Å; Y620-W662 HydrophobicContact CE1-CE3 3.7Å; Y620-W662 AromaticContact CE1-CH2 3.92Å; Y620-W662 HydrophobicContact CE1-CH2 3.92Å; Y620-W662 HydrophobicContact CE1-CZ2 4.41Å; Y620-W662 AromaticContact CE1-CZ3 3.52Å; Y620-W662 HydrophobicContact CE1-CZ3 3.52Å; Y620-W662 HydrophobicContact CG-CH2 4.45Å; Y620-W662 WeakPolarHBondContact O-CZ2 3.11Å; P621-W662 HydrophobicContact CG-CB 4.5Å; P621-W662 HydrophobicContact CG-CD2 4.12Å; P621-W662 HydrophobicContact CG-CG 3.94Å; F633-W662 HydrophobicContact CD2-CH2 4.05Å; F633-W662 AromaticContact CD2-CZ3 3.9Å; F633-W662 HydrophobicContact CD2-CZ3 3.9Å; F633-W662 AromaticContact CE2-CH2 3.86Å; F633-W662 HydrophobicContact CE2-CH2 3.86Å; F633-W662 HydrophobicContact CE2-CZ3 4.04Å; G658-W662 WeakPolarHBondContact O-CZ2 3.3Å; G659-W662 VanDerWaalsContact CA-NE1 3.33Å; W662-H667 AromaticContact CE3-CE1 3.83Å; W662-H667 PolarHBondContact O-CE1 2.94Å; W662-H667 PolarHBondContact O-ND1 3.43Å
663L95.1Very high95.5Very high6 Ų626.8 Ų26.83%0.03113%0.13CC..  trans-71138.8-178.4-171.667.2000109.7V657 H667 L668 V687 L690 L719V657-L663 HydrophobicContact CG1-CD1 3.92Å; V657-L663 HydrophobicContact CG1-CD2 4.42Å; L663-H667 HydrophobicContact CD1-CB 3.62Å; L663-L668 HydrophobicContact CD1-CD2 4.47Å; L663-V687 HydrophobicContact CD2-CG1 3.91Å; L663-L690 HydrophobicContact CB-CD2 4.17Å; L663-L690 WeakPolarHBondContact O-CD2 3.4Å; L663-L719 HydrophobicContact CB-CD2 4.48Å; L663-L719 HydrophobicContact CD2-CD1 4.34Å; L663-L719 HydrophobicContact CD2-CD2 3.97Å; L663-L719 HydrophobicContact CG-CD1 4.06Å; L663-L719 HydrophobicContact CG-CD2 4.19Å
664N96Very high95.5Very high66 Ų6626.8 Ų26.835%0.35313%0.13SC..  trans-153176.3-177.565.843.9000110.4N666 H667 L668N664-N666 VanDerWaalsContact C-N 3.27Å; N664-N666 PolarHBondContact O-N 3.19Å; N664-N666 WeakPolarHBondContact OD1-CB 3.32Å; N664-N666 PolarHBondContact OD1-N 2.89Å; N664-H667 VanDerWaalsContact CG-ND1 3.3Å; N664-H667 PolarHBondContact N-ND1 3.28Å; N664-H667 PolarHBondContact ND2-CE1 2.96Å; N664-H667 PolarHBondContact ND2-ND1 3.14Å; N664-H667 WeakPolarHBondContact O-CB 3.01Å; N664-H667 PolarHBondContact O-N 3.24Å; N664-H667 PolarHBondContact OD1-N 3.45Å; N664-H667 PolarHBondContact OD1-ND1 2.93Å; N664-H667 VanDerWaalsContact OD1-ND1 3.17Å; N664-L668 PolarHBondContact O-N 3.32Å
665S96.5Very high95.5Very high17 Ų1727 Ų2712%0.11913%0.13CC..Hα-helixtrans-61.2-29.3-176.5-49.20000114.3H667 L668 R669 T722S665-H667 VanDerWaalsContact C-N 3.35Å; S665-L668 PolarHBondContact O-N 3.26Å; S665-R669 WeakPolarHBondContact O-CG 3.43Å; S665-R669 PolarHBondContact O-N 3.47Å; S665-R669 VanDerWaalsContact O-N 3.08Å; S665-T722 WeakPolarHBondContact CB-OG1 3.4Å; S665-T722 PolarHBondContact OG-OG1 3.5Å
666N97.3Very high95.5Very high98 Ų9830.5 Ų30.552%0.52415%0.149SC..Hα-helixtrans-68.4-36.5175.4-71.6-25000111.6N664 R669 T670N664-N666 VanDerWaalsContact C-N 3.27Å; N664-N666 PolarHBondContact O-N 3.19Å; N664-N666 WeakPolarHBondContact OD1-CB 3.32Å; N664-N666 PolarHBondContact OD1-N 2.89Å; N666-R669 PolarHBondContact O-N 3.49Å; N666-R669 PolarHBondContact OD1-NE 3.4Å; N666-R669 PolarHBondContact OD1-NH2 2.82Å; N666-T670 PolarHBondContact O-N 3.28Å; N666-T670 PolarHBondContact O-OG1 2.94Å
667H97.7Very high95.4Very high33 Ų3338.8 Ų38.815%0.15318%0.18CC..Hα-helixtrans-63.7-43.3174.4-63.1118.7000111.2F633 W662 L663 N664 S665 R669 T670 V671F633-H667 HydrophobicContact CD1-CB 4.21Å; F633-H667 AromaticContact CD1-CD2 3.8Å; F633-H667 HydrophobicContact CE1-CB 4.14Å; F633-H667 AromaticContact CG-CD2 3.61Å; W662-H667 AromaticContact CE3-CE1 3.83Å; W662-H667 PolarHBondContact O-CE1 2.94Å; W662-H667 PolarHBondContact O-ND1 3.43Å; L663-H667 HydrophobicContact CD1-CB 3.62Å; N664-H667 VanDerWaalsContact CG-ND1 3.3Å; N664-H667 PolarHBondContact N-ND1 3.28Å; N664-H667 PolarHBondContact ND2-CE1 2.96Å; N664-H667 PolarHBondContact ND2-ND1 3.14Å; N664-H667 WeakPolarHBondContact O-CB 3.01Å; N664-H667 PolarHBondContact O-N 3.24Å; N664-H667 PolarHBondContact OD1-N 3.45Å; N664-H667 PolarHBondContact OD1-ND1 2.93Å; N664-H667 VanDerWaalsContact OD1-ND1 3.17Å; S665-H667 VanDerWaalsContact C-N 3.35Å; H667-R669 PolarHBondContact O-N 3.35Å; H667-T670 WeakPolarHBondContact O-CA 3.49Å; H667-T670 WeakPolarHBondContact O-CB 3.32Å; H667-T670 PolarHBondContact O-N 2.96Å; H667-T670 VanDerWaalsContact O-N 3.09Å; H667-V671 WeakPolarHBondContact O-CG2 3.32Å; H667-V671 PolarHBondContact O-N 3.35Å
668L98.2Very high95.4Very high0 Ų041.2 Ų41.20%019%0.192CC..Hα-helixtrans-64.1-40.1177.1-59.1-168.8000112.4L663 N664 S665 T670 V671 Q672 V687 L719 T722 A723 L726L663-L668 HydrophobicContact CD1-CD2 4.47Å; N664-L668 PolarHBondContact O-N 3.32Å; S665-L668 PolarHBondContact O-N 3.26Å; L668-T670 VanDerWaalsContact C-N 3.27Å; L668-T670 PolarHBondContact O-N 3.2Å; L668-V671 WeakPolarHBondContact O-CB 3.28Å; L668-V671 PolarHBondContact O-N 3.07Å; L668-Q672 PolarHBondContact O-N 3.37Å; L668-Q672 VanDerWaalsContact O-N 3.12Å; L668-V687 HydrophobicContact CD1-CG2 4.26Å; L668-V687 HydrophobicContact CD2-CG1 4.09Å; L668-V687 HydrophobicContact CD2-CG2 3.72Å; L668-L719 HydrophobicContact CD1-CD1 3.59Å; L668-L719 HydrophobicContact CD1-CG 4.35Å; L668-L719 HydrophobicContact CD2-CD1 4.35Å; L668-L719 HydrophobicContact CG-CD1 3.8Å; L668-T722 HydrophobicContact CB-CG2 4.27Å; L668-T722 HydrophobicContact CD1-CG2 4.11Å; L668-A723 HydrophobicContact CD1-CB 3.9Å; L668-L726 HydrophobicContact CB-CD1 3.75Å
669R98.1Very high95.6Very high123 Ų12345.5 Ų45.546%0.46422%0.222SC..Hα-helixtrans-60.8-37171.4-74.5-175.6-82.2-90.97.2112.5S665 N666 H667 Q672 D673S665-R669 WeakPolarHBondContact O-CG 3.43Å; S665-R669 PolarHBondContact O-N 3.47Å; S665-R669 VanDerWaalsContact O-N 3.08Å; N666-R669 PolarHBondContact O-N 3.49Å; N666-R669 PolarHBondContact OD1-NE 3.4Å; N666-R669 PolarHBondContact OD1-NH2 2.82Å; H667-R669 PolarHBondContact O-N 3.35Å; R669-Q672 PolarHBondContact O-N 3.41Å; R669-D673 PolarHBondContact O-N 3.45Å; R669-D673 VanDerWaalsContact O-N 3.08Å
670T98.3Very high96Very high31 Ų3145.7 Ų45.719%0.1922%0.223CC..Hα-helixtrans-67.3-37.7175.3-56.50000111.7F633 R634 N666 H667 L668 V674F633-T670 HydrophobicContact CD1-CG2 4.02Å; F633-T670 HydrophobicContact CE1-CG2 4.49Å; R634-T670 HydrophobicContact CB-CG2 3.89Å; R634-T670 HydrophobicContact CG-CG2 4.46Å; N666-T670 PolarHBondContact O-N 3.28Å; N666-T670 PolarHBondContact O-OG1 2.94Å; H667-T670 WeakPolarHBondContact O-CA 3.49Å; H667-T670 WeakPolarHBondContact O-CB 3.32Å; H667-T670 PolarHBondContact O-N 2.96Å; H667-T670 VanDerWaalsContact O-N 3.09Å; L668-T670 VanDerWaalsContact C-N 3.27Å; L668-T670 PolarHBondContact O-N 3.2Å; T670-V674 HydrophobicContact CG2-CG2 4.27Å; T670-V674 WeakPolarHBondContact O-CB 3.47Å; T670-V674 VanDerWaalsContact O-CG2 3.27Å; T670-V674 WeakPolarHBondContact O-CG2 3.32Å; T670-V674 PolarHBondContact O-N 3.49Å
671V98.4Very high96.5Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-58.5-50.8173.5174.20000110.1F633 L637 L655 V657 H667 L668 V674 L675 V685 F728F633-V671 HydrophobicContact CE1-CG2 3.71Å; F633-V671 HydrophobicContact CZ-CG2 3.85Å; L637-V671 HydrophobicContact CD2-CB 4.44Å; L637-V671 HydrophobicContact CD2-CG2 4.13Å; L655-V671 HydrophobicContact CD2-CG1 3.67Å; V657-V671 HydrophobicContact CG2-CG2 4.06Å; H667-V671 WeakPolarHBondContact O-CG2 3.32Å; H667-V671 PolarHBondContact O-N 3.35Å; L668-V671 WeakPolarHBondContact O-CB 3.28Å; L668-V671 PolarHBondContact O-N 3.07Å; V671-V674 PolarHBondContact O-N 3.35Å; V671-L675 HydrophobicContact CG1-CD1 3.75Å; V671-L675 HydrophobicContact CG1-CG 4.24Å; V671-L675 WeakPolarHBondContact O-CG 3.48Å; V671-L675 PolarHBondContact O-N 3.09Å; V671-V685 HydrophobicContact CG1-CG1 4.25Å; V671-V685 HydrophobicContact CG1-CG2 4.42Å; V671-F728 HydrophobicContact CB-CE2 4.26Å; V671-F728 HydrophobicContact CG1-CE2 4.11Å; V671-F728 HydrophobicContact CG1-CZ 4.11Å
672Q98.1Very high97Very high44 Ų4450.7 Ų50.721%0.20626%0.256CS..Hα-helixtrans-56.3-54.1178.7-173.365.656.600111.6L668 R669 V674 L675 D676 L726 F728L668-Q672 PolarHBondContact O-N 3.37Å; L668-Q672 VanDerWaalsContact O-N 3.12Å; R669-Q672 PolarHBondContact O-N 3.41Å; Q672-V674 VanDerWaalsContact C-N 3.31Å; Q672-V674 PolarHBondContact O-N 2.94Å; Q672-L675 PolarHBondContact O-N 3.14Å; Q672-D676 PolarHBondContact NE2-OD1 3.39Å; Q672-D676 PolarHBondContact NE2-OD2 2.99Å; Q672-D676 PolarHBondContact O-N 3.25Å; Q672-L726 HydrophobicContact CG-CD2 4.49Å; Q672-F728 HydrophobicContact CB-CZ 4.17Å
673D98.2Very high97.3Very high46 Ų4649.4 Ų49.425%0.24625%0.252CS..Hα-helixtrans-62.3-34.9-178.7168.988.8000113R634 R669 R677R634-D673 IonicContact CZ-OD2 3.75Å; R634-D673 IonicContact NH1-OD2 3.74Å; R634-D673 PolarHBondContact NH1-OD2 3.45Å; R634-D673 IonicContact NH2-OD2 2.83Å; R634-D673 PolarHBondContact NH2-OD2 2.9Å; R669-D673 PolarHBondContact O-N 3.45Å; R669-D673 VanDerWaalsContact O-N 3.08Å; D673-R677 VanDerWaalsContact CG-NE 3.33Å; D673-R677 WeakPolarHBondContact O-CD 3.38Å; D673-R677 WeakPolarHBondContact O-CG 3.5Å; D673-R677 PolarHBondContact O-N 3.31Å; D673-R677 IonicContact OD1-CZ 3.71Å; D673-R677 IonicContact OD1-NE 2.97Å; D673-R677 PolarHBondContact OD1-NE 3.15Å; D673-R677 IonicContact OD1-NH2 2.76Å; D673-R677 PolarHBondContact OD1-NH2 3.13Å; D673-R677 IonicContact OD2-NE 3.45Å; D673-R677 PolarHBondContact OD2-NE 2.97Å; D673-R677 VanDerWaalsContact OD2-NE 3.09Å
674V98.3Very high97.4Very high1 Ų151.5 Ų51.51%0.00626%0.263CS..Hα-helixtrans-69-45.2174.8169.20000111.2R634 L637 L638 I641 T670 V671 Q672 D676 R677 E678R634-V674 HydrophobicContact CG-CG2 3.93Å; R634-V674 VanDerWaalsContact NH1-CG2 3.33Å; L637-V674 HydrophobicContact CD2-CB 3.86Å; L637-V674 HydrophobicContact CD2-CG1 3.84Å; L637-V674 HydrophobicContact CD2-CG2 4.16Å; L637-V674 HydrophobicContact CG-CG1 4.04Å; L638-V674 HydrophobicContact CD2-CG1 3.72Å; L638-V674 HydrophobicContact CG-CG1 4.17Å; I641-V674 HydrophobicContact CD1-CG1 3.64Å; T670-V674 HydrophobicContact CG2-CG2 4.27Å; T670-V674 WeakPolarHBondContact O-CB 3.47Å; T670-V674 VanDerWaalsContact O-CG2 3.27Å; T670-V674 WeakPolarHBondContact O-CG2 3.32Å; T670-V674 PolarHBondContact O-N 3.49Å; V671-V674 PolarHBondContact O-N 3.35Å; Q672-V674 VanDerWaalsContact C-N 3.31Å; Q672-V674 PolarHBondContact O-N 2.94Å; V674-D676 VanDerWaalsContact C-N 3.32Å; V674-D676 PolarHBondContact O-N 3.43Å; V674-R677 PolarHBondContact O-N 3.02Å; V674-E678 HydrophobicContact CG1-CG 4.27Å; V674-E678 WeakPolarHBondContact O-CB 3.25Å; V674-E678 VanDerWaalsContact O-CG 3.31Å; V674-E678 WeakPolarHBondContact O-CG 3.27Å; V674-E678 PolarHBondContact O-N 3.23Å
675L98.1Very high97.5Very high3 Ų348.6 Ų48.62%0.01625%0.248CC..Hα-helixtrans-63.1-40.6179-69.9176.8000111.4I641 L655 V671 Q672 R677 E678 S679 L680 V685I641-L675 HydrophobicContact CD1-CD2 4.35Å; L655-L675 HydrophobicContact CD2-CD1 4.31Å; L655-L675 HydrophobicContact CD2-CD2 4.39Å; V671-L675 HydrophobicContact CG1-CD1 3.75Å; V671-L675 HydrophobicContact CG1-CG 4.24Å; V671-L675 WeakPolarHBondContact O-CG 3.48Å; V671-L675 PolarHBondContact O-N 3.09Å; Q672-L675 PolarHBondContact O-N 3.14Å; L675-R677 PolarHBondContact O-N 3.15Å; L675-E678 PolarHBondContact O-N 3.33Å; L675-S679 PolarHBondContact O-N 3.42Å; L675-L680 HydrophobicContact CB-CB 4.44Å; L675-L680 HydrophobicContact CD2-CB 3.87Å; L675-L680 HydrophobicContact CD2-CD1 4.48Å; L675-L680 PolarHBondContact O-N 2.99Å; L675-V685 HydrophobicContact CD1-CG2 3.51Å
676D97.4Very high97.6Very high74 Ų7447.9 Ų47.940%0.39624%0.242SC..Hα-helixtrans-62-43.9176.7-64.8-22.7000111.8Q672 V674 E678 S679 S681Q672-D676 PolarHBondContact NE2-OD1 3.39Å; Q672-D676 PolarHBondContact NE2-OD2 2.99Å; Q672-D676 PolarHBondContact O-N 3.25Å; V674-D676 VanDerWaalsContact C-N 3.32Å; V674-D676 PolarHBondContact O-N 3.43Å; D676-E678 PolarHBondContact O-N 3.39Å; D676-S679 PolarHBondContact O-N 3.26Å; D676-S681 WeakPolarHBondContact CA-OG 3.32Å; D676-S681 WeakPolarHBondContact OD1-CB 3.49Å; D676-S681 PolarHBondContact OD1-OG 3.47Å
677R97.4Very high97.7Very high175 Ų17543.3 Ų43.366%0.6622%0.218SC*.Hα-helixtrans-67.6-34.7177.7-71.6172.4-170.1-80.8-8.8113.4D673 V674 L675 S679D673-R677 VanDerWaalsContact CG-NE 3.33Å; D673-R677 WeakPolarHBondContact O-CD 3.38Å; D673-R677 WeakPolarHBondContact O-CG 3.5Å; D673-R677 PolarHBondContact O-N 3.31Å; D673-R677 IonicContact OD1-CZ 3.71Å; D673-R677 IonicContact OD1-NE 2.97Å; D673-R677 PolarHBondContact OD1-NE 3.15Å; D673-R677 IonicContact OD1-NH2 2.76Å; D673-R677 PolarHBondContact OD1-NH2 3.13Å; D673-R677 IonicContact OD2-NE 3.45Å; D673-R677 PolarHBondContact OD2-NE 2.97Å; D673-R677 VanDerWaalsContact OD2-NE 3.09Å; V674-R677 PolarHBondContact O-N 3.02Å; L675-R677 PolarHBondContact O-N 3.15Å; R677-S679 PolarHBondContact O-N 3.41Å
678E97.7Very high97.6Very high52 Ų5241.8 Ų41.824%0.24321%0.211CC..THydrogen-bonded Turntrans-84.75.3179.4-64.7-66.213600112.8L638 I641 R645 V674 L675 D676 L680L638-E678 HydrophobicContact CD2-CG 3.98Å; L638-E678 WeakPolarHBondContact CD2-OE1 3.49Å; I641-E678 HydrophobicContact CD1-CG 4.45Å; I641-E678 HydrophobicContact CG2-CG 4.39Å; R645-E678 IonicContact CZ-OE2 2.67Å; R645-E678 IonicContact NH2-OE2 3.78Å; R645-E678 PolarHBondContact NH2-OE2 3.37Å; V674-E678 HydrophobicContact CG1-CG 4.27Å; V674-E678 WeakPolarHBondContact O-CB 3.25Å; V674-E678 VanDerWaalsContact O-CG 3.31Å; V674-E678 WeakPolarHBondContact O-CG 3.27Å; V674-E678 PolarHBondContact O-N 3.23Å; L675-E678 PolarHBondContact O-N 3.33Å; D676-E678 PolarHBondContact O-N 3.39Å; E678-L680 HydrophobicContact CB-CD1 4.11Å; E678-L680 HydrophobicContact CB-CG 4.36Å
679S97.2Very high97.5Very high89 Ų8941.8 Ų41.862%0.62221%0.211SC*.THydrogen-bonded Turntrans58.144.4-176.5-540000113N649 L675 D676 R677N649-S679 WeakPolarHBondContact CB-O 3.24Å; L675-S679 PolarHBondContact O-N 3.42Å; D676-S679 PolarHBondContact O-N 3.26Å; R677-S679 PolarHBondContact O-N 3.41Å
680L97.3Very high97.4Very high4 Ų436 Ų362%0.02119%0.189CC..  trans-127.430.6-176.3-69.5175.1000111.8I641 L647 N649 L675 E678 D682 V683I641-L680 HydrophobicContact CG2-CD1 4.08Å; L647-L680 HydrophobicContact CB-CD1 4.32Å; L647-L680 HydrophobicContact CB-CD2 3.98Å; L647-L680 HydrophobicContact CD1-CD1 3.76Å; N649-L680 HydrophobicContact CB-CD2 4.37Å; N649-L680 WeakPolarHBondContact OD1-CA 3.43Å; L675-L680 HydrophobicContact CB-CB 4.44Å; L675-L680 HydrophobicContact CD2-CB 3.87Å; L675-L680 HydrophobicContact CD2-CD1 4.48Å; L675-L680 PolarHBondContact O-N 2.99Å; E678-L680 HydrophobicContact CB-CD1 4.11Å; E678-L680 HydrophobicContact CB-CG 4.36Å; L680-D682 VanDerWaalsContact C-N 3.28Å; L680-D682 PolarHBondContact O-N 3.47Å; L680-V683 HydrophobicContact CB-CG2 3.75Å; L680-V683 HydrophobicContact CD2-CG2 3.99Å; L680-V683 HydrophobicContact CG-CG2 4.38Å; L680-V683 VanDerWaalsContact O-CB 3.31Å; L680-V683 WeakPolarHBondContact O-CB 3.34Å; L680-V683 VanDerWaalsContact O-CG2 3.24Å; L680-V683 WeakPolarHBondContact O-CG2 3.34Å; L680-V683 PolarHBondContact O-N 3.04Å
681S95.1Very high97.2Very high57 Ų5734.7 Ų34.740%0.39918%0.182SC..THydrogen-bonded Turntrans-65.9-23.1-175.7-55.50000114.8N649 D676N649-S681 PolarHBondContact OD1-N 2.84Å; N649-S681 VanDerWaalsContact OD1-N 3.08Å; D676-S681 WeakPolarHBondContact CA-OG 3.32Å; D676-S681 WeakPolarHBondContact OD1-CB 3.49Å; D676-S681 PolarHBondContact OD1-OG 3.47Å
682D96.3Very high96.9Very high108 Ų10835 Ų3558%0.57818%0.183SC*.THydrogen-bonded Turntrans-95.29.7-179.4-58.5-52.5000113.2N649 S650 L680N649-D682 PolarHBondContact ND2-OD2 2.92Å; N649-D682 WeakPolarHBondContact OD1-CA 3.47Å; N649-D682 WeakPolarHBondContact OD1-CB 3.21Å; N649-D682 PolarHBondContact OD1-N 2.82Å; S650-D682 CarbonylContact C-O 3.38Å; S650-D682 VanDerWaalsContact C-O 3.28Å; L680-D682 VanDerWaalsContact C-N 3.28Å; L680-D682 PolarHBondContact O-N 3.47Å
683V97.2Very high96.4Very high11 Ų1133 Ų337%0.06718%0.175CC..SBendtrans-68.7140.6173.8167.60000110.9T653 L655 L680 V685T653-V683 HydrophobicContact CG2-CB 4.5Å; T653-V683 HydrophobicContact CG2-CG1 3.88Å; T653-V683 HydrophobicContact CG2-CG2 3.79Å; T653-V683 WeakPolarHBondContact O-CG1 3.48Å; L655-V683 HydrophobicContact CB-CG1 4.27Å; L680-V683 HydrophobicContact CB-CG2 3.75Å; L680-V683 HydrophobicContact CD2-CG2 3.99Å; L680-V683 HydrophobicContact CG-CG2 4.38Å; L680-V683 VanDerWaalsContact O-CB 3.31Å; L680-V683 WeakPolarHBondContact O-CB 3.34Å; L680-V683 VanDerWaalsContact O-CG2 3.24Å; L680-V683 WeakPolarHBondContact O-CG2 3.34Å; L680-V683 PolarHBondContact O-N 3.04Å; V683-V685 PolarHBondContact O-N 2.98Å
684L97.6Very high96Very high50 Ų5032.4 Ų32.426%0.26217%0.17SC..EExtended strand (participates in β ladder)trans-73.5114.1174.117661.8000110.3T653 V654 L655 V686 L816T653-L684 PolarHBondContact O-N 2.68Å; T653-L684 VanDerWaalsContact O-N 3.15Å; V654-L684 CarbonylContact C-O 3.44Å; V654-L684 VanDerWaalsContact CA-O 3.3Å; V654-L684 WeakPolarHBondContact CA-O 3.19Å; V654-L684 HydrophobicContact CG1-CD2 4.47Å; V654-L684 HydrophobicContact CG1-CG 4.47Å; V654-L684 HydrophobicContact CG2-CB 4.3Å; V654-L684 HydrophobicContact CG2-CD2 4.25Å; L655-L684 PolarHBondContact N-O 3.07Å; L684-V686 HydrophobicContact CG-CG2 4.24Å; L684-L816 HydrophobicContact CD2-CD2 4.03Å
685V98.3Very high95.7Very high5 Ų533.3 Ų33.33%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-101.9126.6174.8-174.60000110.4L655 V671 L675 V683 F728 E729L655-V685 HydrophobicContact CB-CG2 4.46Å; L655-V685 CarbonylContact O-C 3.5Å; L655-V685 WeakPolarHBondContact O-CA 3.18Å; V671-V685 HydrophobicContact CG1-CG1 4.25Å; V671-V685 HydrophobicContact CG1-CG2 4.42Å; L675-V685 HydrophobicContact CD1-CG2 3.51Å; V683-V685 PolarHBondContact O-N 2.98Å; V685-F728 HydrophobicContact CB-CB 4.23Å; V685-F728 HydrophobicContact CB-CD1 3.55Å; V685-F728 HydrophobicContact CB-CD2 4.25Å; V685-F728 HydrophobicContact CB-CE1 3.89Å; V685-F728 HydrophobicContact CB-CG 3.76Å; V685-F728 HydrophobicContact CB-CZ 4.38Å; V685-F728 HydrophobicContact CG1-CB 4.23Å; V685-F728 HydrophobicContact CG1-CD1 4.02Å; V685-F728 HydrophobicContact CG1-CD2 3.76Å; V685-F728 HydrophobicContact CG1-CE1 4.29Å; V685-F728 HydrophobicContact CG1-CE2 4.06Å; V685-F728 HydrophobicContact CG1-CG 3.74Å; V685-F728 HydrophobicContact CG1-CZ 4.31Å; V685-F728 HydrophobicContact CG2-CD1 3.95Å; V685-F728 HydrophobicContact CG2-CE1 3.76Å; V685-F728 HydrophobicContact CG2-CZ 4.18Å; V685-E729 PolarHBondContact O-N 3.38Å
686V98.3Very high95.4Very high1 Ų133.9 Ų33.91%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-118.5122.1173.6-170.20000110.1L655 V656 V657 L684 E729 V731 L812 L816L655-V686 PolarHBondContact O-N 3.23Å; V656-V686 CarbonylContact C-O 3.55Å; V656-V686 VanDerWaalsContact CA-O 3.31Å; V656-V686 WeakPolarHBondContact CA-O 3.4Å; V656-V686 HydrophobicContact CG2-CB 4.43Å; V657-V686 PolarHBondContact N-O 3.06Å; L684-V686 HydrophobicContact CG-CG2 4.24Å; V686-E729 CarbonylContact C-O 3.56Å; V686-E729 WeakPolarHBondContact CA-O 3.43Å; V686-E729 HydrophobicContact CG1-CB 4.33Å; V686-E729 HydrophobicContact CG1-CG 4.14Å; V686-E729 HydrophobicContact CG2-CB 4.24Å; V686-V731 HydrophobicContact CG1-CG2 4.02Å; V686-L812 HydrophobicContact CB-CD1 4.12Å; V686-L812 HydrophobicContact CG1-CD1 3.64Å; V686-L812 HydrophobicContact CG2-CD1 4.3Å; V686-L816 HydrophobicContact CG2-CD2 3.83Å
687V98.2Very high95.2Very high2 Ų234 Ų341%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-94.7110.6178.6-176.90000109.3V657 L663 L668 S689 L719 A723 F728 E729 A730 V731V657-V687 CarbonylContact O-C 3.53Å; V657-V687 WeakPolarHBondContact O-CA 3.41Å; L663-V687 HydrophobicContact CD2-CG1 3.91Å; L668-V687 HydrophobicContact CD1-CG2 4.26Å; L668-V687 HydrophobicContact CD2-CG1 4.09Å; L668-V687 HydrophobicContact CD2-CG2 3.72Å; V687-S689 PolarHBondContact O-N 3.49Å; V687-L719 HydrophobicContact CG1-CD2 4.48Å; V687-A723 HydrophobicContact CB-CB 4.37Å; V687-A723 HydrophobicContact CG2-CB 4.03Å; V687-F728 HydrophobicContact CG2-CB 4.07Å; V687-F728 HydrophobicContact CG2-CD2 4.16Å; V687-E729 PolarHBondContact N-O 2.89Å; V687-A730 HydrophobicContact CB-CB 4.5Å; V687-A730 CarbonylContact O-C 3.59Å; V687-A730 VanDerWaalsContact O-CA 3.29Å; V687-A730 WeakPolarHBondContact O-CA 3.43Å; V687-V731 PolarHBondContact O-N 3.5Å
688K97Very high94.8Very high2 Ų226.3 Ų26.31%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-74.3117.5161174.8-96.7172.1-146.90107.4M581 V657 G658 T733M581-K688 HydrophobicContact SD-CB 4.14Å; M581-K688 HydrophobicContact SD-CG 3.82Å; V657-K688 PolarHBondContact O-N 3.48Å; G658-K688 WeakPolarHBondContact CA-O 3.34Å; K688-T733 HydrophobicContact CD-CG2 4.45Å; K688-T733 WeakPolarHBondContact CE-OG1 3.23Å; K688-T733 HydrophobicContact CG-CG2 3.71Å; K688-T733 PolarHBondContact NZ-OG1 3Å
689S95.8Very high94.3Very high0 Ų027.5 Ų27.50%016%0.162CC..  trans-69.7-169.5-174.384.10000112.7V687 N716 V731 D732 T733 F734V687-S689 PolarHBondContact O-N 3.49Å; S689-N716 WeakPolarHBondContact CB-OD1 3.46Å; S689-N716 PolarHBondContact OG-OD1 3.39Å; S689-N716 VanDerWaalsContact OG-OD1 3.13Å; S689-V731 WeakPolarHBondContact CB-O 3.31Å; S689-V731 PolarHBondContact N-O 3.2Å; S689-V731 PolarHBondContact OG-O 3.34Å; S689-D732 VanDerWaalsContact OG-CA 3.32Å; S689-D732 WeakPolarHBondContact OG-CA 3.45Å; S689-D732 PolarHBondContact OG-OD1 3.21Å; S689-T733 PolarHBondContact O-OG1 3.34Å; S689-T733 PolarHBondContact OG-N 3.41Å; S689-T733 PolarHBondContact OG-OG1 3.04Å; S689-F734 PolarHBondContact OG-N 3.39Å
690L96.1Very high93.5Very high2 Ų227.6 Ų27.61%0.0118%0.177CC..  trans-67.7177.6175.8-57-178000110.9G659 V660 L663 L712 D715 N716 L719 T733 F734G659-L690 VanDerWaalsContact O-CD2 3.23Å; G659-L690 WeakPolarHBondContact O-CD2 3.43Å; V660-L690 WeakPolarHBondContact O-CB 3.26Å; L663-L690 HydrophobicContact CB-CD2 4.17Å; L663-L690 WeakPolarHBondContact O-CD2 3.4Å; L690-L712 HydrophobicContact CB-CG 4.49Å; L690-L712 HydrophobicContact CD1-CD1 3.67Å; L690-L712 HydrophobicContact CD1-CG 3.9Å; L690-D715 HydrophobicContact CD1-CB 4.19Å; L690-N716 HydrophobicContact CB-CB 4.15Å; L690-N716 WeakPolarHBondContact CB-OD1 3.46Å; L690-N716 HydrophobicContact CD1-CB 3.97Å; L690-N716 HydrophobicContact CG-CB 4.24Å; L690-N716 PolarHBondContact N-OD1 2.86Å; L690-L719 HydrophobicContact CD2-CD2 4.12Å; L690-L719 HydrophobicContact CG-CD2 3.99Å; L690-T733 CarbonylContact O-C 3.56Å; L690-T733 PolarHBondContact O-OG1 3.49Å; L690-F734 HydrophobicContact CB-CD2 3.86Å; L690-F734 WeakPolarHBondContact O-CA 3.39Å; L690-F734 WeakPolarHBondContact O-CB 3.23Å; L690-F734 PolarHBondContact O-N 3.2Å
691G93.7Very high92.9Very high3 Ų329.7 Ų29.73%0.03119%0.188CC..  trans-159172.6179.300000114.3V660V660-G691 VanDerWaalsContact CG1-O 3.27Å; V660-G691 WeakPolarHBondContact CG1-O 3.39Å; V660-G691 PolarHBondContact O-N 2.8Å
692M92.2Very high92.5Very high5 Ų535.3 Ų35.33%0.02520%0.201CC..SBendtrans-73.7142.2165.2-64-64.685.200111M494 I709 F734 T737 M738M494-M692 HydrophobicContact SD-SD 4.32Å; M692-I709 HydrophobicContact CE-CG2 3.91Å; M692-I709 HydrophobicContact SD-CG2 4.12Å; M692-F734 HydrophobicContact CE-CD1 4.33Å; M692-F734 HydrophobicContact CE-CD2 3.94Å; M692-F734 HydrophobicContact CE-CE1 3.66Å; M692-F734 HydrophobicContact CE-CE2 3.23Å; M692-F734 HydrophobicContact CE-CG 4.47Å; M692-F734 HydrophobicContact CE-CZ 3.09Å; M692-F734 HydrophobicContact SD-CZ 4.49Å; M692-T737 PolarHBondContact N-OG1 3.43Å; M692-M738 HydrophobicContact CG-CB 4.46Å
693G86.4Confident92.3Very high3 Ų332.5 Ų32.53%0.03119%0.189CC..  trans178.8-25.2172.900000118.8A750 C751G693-A750 WeakPolarHBondContact CA-O 3.46Å; G693-A750 CarbonylContact O-C 3.59Å; G693-A750 VanDerWaalsContact O-C 3.24Å; G693-A750 PolarHBondContact O-N 3.34Å; G693-C751 PolarHBondContact O-N 2.99Å
694F90.5Very high92Very high34 Ų3433.1 Ų33.115%0.14919%0.192CC..  trans-117.832.6-173-63.7-87.6000111.8V660 Q661 I701 S703 L704 C749 C751V660-F694 HydrophobicContact CB-CE2 4.34Å; V660-F694 HydrophobicContact CG1-CD2 4.11Å; V660-F694 HydrophobicContact CG1-CE2 3.97Å; Q661-F694 HydrophobicContact CB-CD2 4.35Å; Q661-F694 VanDerWaalsContact CD-CE2 3.45Å; Q661-F694 HydrophobicContact CG-CD2 3.97Å; Q661-F694 HydrophobicContact CG-CE2 3.88Å; Q661-F694 VanDerWaalsContact NE2-CE2 3.31Å; Q661-F694 VanDerWaalsContact NE2-CZ 3.35Å; Q661-F694 VanDerWaalsContact OE1-CD2 3.22Å; F694-I701 HydrophobicContact CD1-CG2 3.71Å; F694-I701 HydrophobicContact CE1-CG2 3.91Å; F694-S703 CarbonylContact O-C 3.54Å; F694-S703 WeakPolarHBondContact O-CA 3.34Å; F694-L704 HydrophobicContact CB-CD1 4.32Å; F694-L704 HydrophobicContact CB-CG 4.14Å; F694-L704 PolarHBondContact O-N 2.84Å; F694-C749 HydrophobicContact CD1-CB 4.39Å; F694-C749 HydrophobicContact CE1-CB 4.11Å; F694-C751 HydrophobicContact CE2-CB 4.24Å; F694-C751 HydrophobicContact CZ-CB 4.37Å
695H91.6Very high91.9Very high19 Ų1933.4 Ų33.49%0.08820%0.198CC..  trans-91.7-0.7-174.660.6-90.9000113.5M494 I709 Y741 A750M494-H695 HydrophobicContact CE-CB 3.55Å; M494-H695 HydrophobicContact SD-CB 4.13Å; H695-I709 HydrophobicContact CB-CD1 3.57Å; H695-Y741 AromaticContact CD2-CD2 3.7Å; H695-Y741 AromaticContact CD2-CE2 3.85Å; H695-Y741 AromaticContact CE1-CD2 3.66Å; H695-Y741 AromaticContact NE2-CD2 3.31Å; H695-Y741 VanDerWaalsContact NE2-CD2 3.31Å; H695-Y741 WeakPolarHBondContact NE2-CD2 3.46Å; H695-Y741 AromaticContact NE2-CE2 3.75Å; H695-A750 VanDerWaalsContact CE1-CB 3.44Å; H695-A750 WeakPolarHBondContact CE1-CB 3.45Å
696L92.8Very high91.6Very high16 Ų1636.5 Ų36.58%0.08421%0.214CC..SBendtrans-107.6139.7178.8-58.9178.2000110.4V410 M411 P439 V698 S703 F744 A750V410-L696 HydrophobicContact CB-CD1 4.24Å; V410-L696 HydrophobicContact CB-CD2 4.36Å; V410-L696 HydrophobicContact CG2-CD1 4.43Å; V410-L696 HydrophobicContact CG2-CD2 3.73Å; M411-L696 HydrophobicContact CE-CB 4.48Å; M411-L696 HydrophobicContact CG-CB 4.06Å; M411-L696 HydrophobicContact CG-CD1 3.77Å; M411-L696 HydrophobicContact CG-CD2 3.92Å; M411-L696 HydrophobicContact CG-CG 4.12Å; M411-L696 HydrophobicContact SD-CB 3.74Å; M411-L696 HydrophobicContact SD-CD1 3.73Å; M411-L696 HydrophobicContact SD-CG 4.23Å; P439-L696 HydrophobicContact CB-CD1 4.19Å; L696-V698 HydrophobicContact CB-CG2 4.03Å; L696-V698 PolarHBondContact O-N 2.83Å; L696-S703 WeakPolarHBondContact O-CB 3.34Å; L696-F744 HydrophobicContact CD1-CE1 3.95Å; L696-F744 HydrophobicContact CD1-CZ 3.71Å; L696-A750 HydrophobicContact CD1-CB 3.48Å; L696-A750 VanDerWaalsContact CD1-CB 3.48Å; L696-A750 HydrophobicContact CG-CB 3.98Å
697P91.9Very high91.5Very high75 Ų7541.7 Ų41.749%0.48725%0.246SC..  trans-77.168.8178.733.9-36000111.2M411 N437M411-P697 HydrophobicContact CE-CG 4.49Å; N437-P697 WeakPolarHBondContact CB-O 3.39Å; N437-P697 PolarHBondContact ND2-O 2.77Å
698V90.3Very high91.3Very high15 Ų1544.9 Ų44.99%0.09126%0.261CS..  trans-82.3133.7179179.30000110.3M411 P439 L696 G700 I701M411-V698 HydrophobicContact CE-CG2 3.99Å; M411-V698 HydrophobicContact SD-CG2 3.82Å; P439-V698 HydrophobicContact CB-CG2 3.99Å; P439-V698 HydrophobicContact CG-CG1 4.34Å; P439-V698 HydrophobicContact CG-CG2 3.87Å; L696-V698 HydrophobicContact CB-CG2 4.03Å; L696-V698 PolarHBondContact O-N 2.83Å; V698-G700 PolarHBondContact O-N 2.77Å; V698-I701 HydrophobicContact CB-CB 4.27Å; V698-I701 HydrophobicContact CB-CD1 4.4Å; V698-I701 HydrophobicContact CG1-CB 4.46Å; V698-I701 HydrophobicContact CG1-CD1 3.91Å; V698-I701 HydrophobicContact CG1-CG1 4.34Å; V698-I701 PolarHBondContact O-N 2.81Å; V698-I701 VanDerWaalsContact O-N 3.14Å
699D86.1Confident91.2Very high76 Ų7645 Ų4541%0.40626%0.262SS..THydrogen-bonded Turntrans-61.7135.7179.9-78.3-66.1000112.7A436 N437 I701A436-D699 WeakPolarHBondContact CA-OD2 3.18Å; A436-D699 HydrophobicContact CB-CB 4.45Å; N437-D699 WeakPolarHBondContact CB-OD2 3.48Å; N437-D699 PolarHBondContact N-OD2 2.99Å; D699-I701 PolarHBondContact O-N 2.8Å
700G81.4Confident91.2Very high91 Ų9149.3 Ų49.394%0.93828%0.278SS*.THydrogen-bonded Turntrans74.43.5-177.200000114.8V698V698-G700 PolarHBondContact O-N 2.77Å
701I84.4Confident91.2Very high49 Ų4949.9 Ų49.925%0.25128%0.284SS..SBendtrans-125.9130.5178.5-59.5179.5000109.5F694 V698 D699 S703 R748 C749F694-I701 HydrophobicContact CD1-CG2 3.71Å; F694-I701 HydrophobicContact CE1-CG2 3.91Å; V698-I701 HydrophobicContact CB-CB 4.27Å; V698-I701 HydrophobicContact CB-CD1 4.4Å; V698-I701 HydrophobicContact CG1-CB 4.46Å; V698-I701 HydrophobicContact CG1-CD1 3.91Å; V698-I701 HydrophobicContact CG1-CG1 4.34Å; V698-I701 PolarHBondContact O-N 2.81Å; V698-I701 VanDerWaalsContact O-N 3.14Å; D699-I701 PolarHBondContact O-N 2.8Å; I701-S703 PolarHBondContact O-N 3.29Å; I701-S703 VanDerWaalsContact O-N 3.15Å; I701-R748 HydrophobicContact CD1-CB 4.05Å; I701-R748 WeakPolarHBondContact CD1-O 3.46Å; I701-C749 HydrophobicContact CD1-CB 4.28Å
702R87.3Confident91.2Very high175 Ų17550.6 Ų50.666%0.6629%0.287SS*.PPolyproline II helixtrans-63.1118.6174.2178.7178.8174.9149.60.2109.7E708R702-E708 IonicContact CZ-OE1 3.53Å; R702-E708 IonicContact NH2-OE1 3.42Å; R702-E708 PolarHBondContact NH2-OE1 3.2Å
703S91.3Very high91.3Very high48 Ų4852.8 Ų52.834%0.33630%0.297SS..PPolyproline II helixtrans-91.5152.2168.761.80000111.6F694 L696 I701F694-S703 CarbonylContact O-C 3.54Å; F694-S703 WeakPolarHBondContact O-CA 3.34Å; L696-S703 WeakPolarHBondContact O-CB 3.34Å; I701-S703 PolarHBondContact O-N 3.29Å; I701-S703 VanDerWaalsContact O-N 3.15Å
704L92.1Very high91.7Very high24 Ų2461 Ų6113%0.12633%0.327CS..PPolyproline II helixtrans-103.6130176.7-58.1179.6000109.6F694 E708 I709 L712F694-L704 HydrophobicContact CB-CD1 4.32Å; F694-L704 HydrophobicContact CB-CG 4.14Å; F694-L704 PolarHBondContact O-N 2.84Å; L704-E708 HydrophobicContact CB-CB 4.08Å; L704-E708 HydrophobicContact CD2-CB 4.22Å; L704-I709 HydrophobicContact CB-CD1 4.43Å; L704-I709 HydrophobicContact CB-CG1 3.79Å; L704-I709 HydrophobicContact CD1-CG1 4.47Å; L704-L712 HydrophobicContact CD1-CD2 4.05Å
705S93.9Very high92Very high56 Ų5663.4 Ų63.439%0.39234%0.341SS..PPolyproline II helixtrans-65.2162.2167.763.20000111.4T707 E708 I709S705-T707 PolarHBondContact O-N 2.9Å; S705-E708 WeakPolarHBondContact CB-OE2 3.4Å; S705-E708 PolarHBondContact N-OE2 2.93Å; S705-E708 PolarHBondContact O-N 2.88Å; S705-E708 WeakPolarHBondContact OG-CG 3.47Å; S705-E708 PolarHBondContact OG-N 3.28Å; S705-E708 PolarHBondContact OG-OE2 3.27Å; S705-I709 WeakPolarHBondContact O-CG1 3.4Å; S705-I709 PolarHBondContact O-N 2.8Å
706L93.2Very high92.3Very high71 Ų7162.6 Ų62.637%0.37234%0.338SS..Hα-helixtrans-55.8-36.5175.1-178.361.1000112M494 I709 R710M494-L706 HydrophobicContact CG-CD1 4.07Å; L706-I709 PolarHBondContact O-N 3.07Å; L706-R710 VanDerWaalsContact O-CG 3.26Å; L706-R710 WeakPolarHBondContact O-CG 3.24Å; L706-R710 PolarHBondContact O-N 2.88Å
707T95.1Very high92.4Very high109 Ų10964.6 Ų64.667%0.66936%0.356SS*.Hα-helixtrans-65.1-43.6176.5-54.60000111.9S705 R710 G711S705-T707 PolarHBondContact O-N 2.9Å; T707-R710 WeakPolarHBondContact O-CB 3.47Å; T707-R710 PolarHBondContact O-N 3.25Å; T707-G711 PolarHBondContact O-N 3.1Å
708E94.9Very high92.7Very high70 Ų7065.1 Ų65.133%0.32735%0.352SS..Hα-helixtrans-66.1-38.6175.3-73.5166.3113.200111.7R702 L704 S705 R710 G711 L712R702-E708 IonicContact CZ-OE1 3.53Å; R702-E708 IonicContact NH2-OE1 3.42Å; R702-E708 PolarHBondContact NH2-OE1 3.2Å; L704-E708 HydrophobicContact CB-CB 4.08Å; L704-E708 HydrophobicContact CD2-CB 4.22Å; S705-E708 WeakPolarHBondContact CB-OE2 3.4Å; S705-E708 PolarHBondContact N-OE2 2.93Å; S705-E708 PolarHBondContact O-N 2.88Å; S705-E708 WeakPolarHBondContact OG-CG 3.47Å; S705-E708 PolarHBondContact OG-N 3.28Å; S705-E708 PolarHBondContact OG-OE2 3.27Å; E708-R710 VanDerWaalsContact C-N 3.32Å; E708-R710 PolarHBondContact O-N 2.8Å; E708-G711 CarbonylContact O-C 3.52Å; E708-G711 WeakPolarHBondContact O-CA 3.48Å; E708-G711 PolarHBondContact O-N 2.78Å; E708-G711 VanDerWaalsContact O-N 3.12Å; E708-L712 PolarHBondContact O-N 3.18Å
709I95.1Very high93Very high5 Ų564.4 Ų64.43%0.02635%0.348CS..Hα-helixtrans-61.8-40.6175.1-67.5169.2000111.1M494 V496 M692 H695 L704 S705 L706 G711 L712 F713M494-I709 HydrophobicContact CE-CD1 4.26Å; M494-I709 HydrophobicContact SD-CD1 3.89Å; V496-I709 HydrophobicContact CG1-CG2 4.38Å; V496-I709 HydrophobicContact CG2-CG2 3.82Å; M692-I709 HydrophobicContact CE-CG2 3.91Å; M692-I709 HydrophobicContact SD-CG2 4.12Å; H695-I709 HydrophobicContact CB-CD1 3.57Å; L704-I709 HydrophobicContact CB-CD1 4.43Å; L704-I709 HydrophobicContact CB-CG1 3.79Å; L704-I709 HydrophobicContact CD1-CG1 4.47Å; S705-I709 WeakPolarHBondContact O-CG1 3.4Å; S705-I709 PolarHBondContact O-N 2.8Å; L706-I709 PolarHBondContact O-N 3.07Å; I709-G711 VanDerWaalsContact C-N 3.33Å; I709-L712 WeakPolarHBondContact O-CB 3.35Å; I709-L712 PolarHBondContact O-N 2.02Å; I709-F713 PolarHBondContact O-N 3.17Å
710R95Very high93.6Very high90 Ų9061.6 Ų61.634%0.3433%0.333SS..Hα-helixtrans-63.6-39.4172.8-71.1177.7174.8165.20.6112.1R495 V496 L706 T707 E708 L712 F713 R714R495-R710 PolarHBondContact O-NE 3.05Å; R495-R710 VanDerWaalsContact O-NE 3.13Å; R495-R710 PolarHBondContact O-NH2 2.79Å; V496-R710 WeakPolarHBondContact O-CG 3.38Å; L706-R710 VanDerWaalsContact O-CG 3.26Å; L706-R710 WeakPolarHBondContact O-CG 3.24Å; L706-R710 PolarHBondContact O-N 2.88Å; T707-R710 WeakPolarHBondContact O-CB 3.47Å; T707-R710 PolarHBondContact O-N 3.25Å; E708-R710 VanDerWaalsContact C-N 3.32Å; E708-R710 PolarHBondContact O-N 2.8Å; R710-L712 VanDerWaalsContact C-N 3.34Å; R710-F713 PolarHBondContact O-N 3.44Å; R710-R714 PolarHBondContact O-N 3.17Å
711G95.4Very high94.4Very high14 Ų1459.3 Ų59.314%0.14430%0.302CS..Hα-helixtrans-58-47.4170.500000111.6T707 E708 I709 F713 R714 D715T707-G711 PolarHBondContact O-N 3.1Å; E708-G711 CarbonylContact O-C 3.52Å; E708-G711 WeakPolarHBondContact O-CA 3.48Å; E708-G711 PolarHBondContact O-N 2.78Å; E708-G711 VanDerWaalsContact O-N 3.12Å; I709-G711 VanDerWaalsContact C-N 3.33Å; G711-F713 VanDerWaalsContact C-N 3.29Å; G711-F713 PolarHBondContact O-N 2.85Å; G711-R714 WeakPolarHBondContact O-CB 3.34Å; G711-R714 PolarHBondContact O-N 3.15Å; G711-D715 VanDerWaalsContact O-CG 3.29Å; G711-D715 PolarHBondContact O-N 3.35Å
712L94.7Very high95Very high17 Ų1757.1 Ų57.19%0.08929%0.291CS..Hα-helixtrans-60.8-36.1179.3-160.869.8000112.4Q661 L690 L704 E708 I709 R710 D715 N716 F734Q661-L712 HydrophobicContact CB-CD2 4.46Å; L690-L712 HydrophobicContact CB-CG 4.49Å; L690-L712 HydrophobicContact CD1-CD1 3.67Å; L690-L712 HydrophobicContact CD1-CG 3.9Å; L704-L712 HydrophobicContact CD1-CD2 4.05Å; E708-L712 PolarHBondContact O-N 3.18Å; I709-L712 WeakPolarHBondContact O-CB 3.35Å; I709-L712 PolarHBondContact O-N 2.02Å; R710-L712 VanDerWaalsContact C-N 3.34Å; L712-D715 PolarHBondContact O-N 2.92Å; L712-N716 WeakPolarHBondContact O-CB 3.45Å; L712-N716 PolarHBondContact O-N 3.28Å; L712-F734 HydrophobicContact CB-CE2 4.02Å; L712-F734 HydrophobicContact CD2-CE2 3.87Å; L712-F734 HydrophobicContact CG-CE2 3.86Å
713F94.8Very high95.5Very high52 Ų5248.8 Ų48.823%0.22826%0.26CS..Hα-helixtrans-63.2-41173.4179.1-107.6000112.4V496 Q497 I709 R710 G711 N716 A717 F734V496-F713 HydrophobicContact CG1-CB 3.69Å; V496-F713 HydrophobicContact CG1-CD2 4.37Å; V496-F713 HydrophobicContact CG1-CG 3.97Å; Q497-F713 VanDerWaalsContact CD-CZ 3.4Å; Q497-F713 HydrophobicContact CG-CD1 4.13Å; Q497-F713 HydrophobicContact CG-CE1 3.63Å; Q497-F713 HydrophobicContact CG-CZ 3.85Å; Q497-F713 VanDerWaalsContact NE2-CZ 3.32Å; I709-F713 PolarHBondContact O-N 3.17Å; R710-F713 PolarHBondContact O-N 3.44Å; G711-F713 VanDerWaalsContact C-N 3.29Å; G711-F713 PolarHBondContact O-N 2.85Å; F713-N716 WeakPolarHBondContact O-CB 3.42Å; F713-N716 PolarHBondContact O-N 3.2Å; F713-A717 PolarHBondContact O-N 3.17Å; F713-F734 HydrophobicContact CB-CE1 3.79Å; F713-F734 HydrophobicContact CB-CE2 4.49Å; F713-F734 HydrophobicContact CB-CZ 3.67Å; F713-F734 AromaticContact CD2-CD1 3.67Å; F713-F734 HydrophobicContact CD2-CD1 3.67Å; F713-F734 AromaticContact CD2-CE1 3.49Å; F713-F734 HydrophobicContact CD2-CE1 3.49Å; F713-F734 VanDerWaalsContact CD2-CE1 3.49Å; F713-F734 HydrophobicContact CD2-CZ 4.23Å; F713-F734 HydrophobicContact CE2-CD1 4.43Å; F713-F734 HydrophobicContact CG-CE1 4.09Å; F713-F734 HydrophobicContact CG-CZ 4.46Å
714R95.1Very high95.8Very high176 Ų17654.2 Ų54.266%0.66427%0.273SS*.Hα-helixtrans-67.4-42.3175-178.2-178.561.4-143.2-4.9111.4R710 G711 N716 A717 E718R710-R714 PolarHBondContact O-N 3.17Å; G711-R714 WeakPolarHBondContact O-CB 3.34Å; G711-R714 PolarHBondContact O-N 3.15Å; R714-N716 PolarHBondContact O-N 2.8Å; R714-A717 WeakPolarHBondContact O-CB 3.49Å; R714-A717 PolarHBondContact O-N 2.75Å; R714-A717 VanDerWaalsContact O-N 3.16Å; R714-E718 PolarHBondContact O-N 3.07Å
715D96.1Very high96.1Very high83 Ų8359.9 Ų59.944%0.44429%0.293SS..Hα-helixtrans-63.7-33.8177.5-62.5-14.6000111.2L690 G711 L712 E718 L719L690-D715 HydrophobicContact CD1-CB 4.19Å; G711-D715 VanDerWaalsContact O-CG 3.29Å; G711-D715 PolarHBondContact O-N 3.35Å; L712-D715 PolarHBondContact O-N 2.92Å; D715-E718 PolarHBondContact O-N 3.17Å; D715-L719 WeakPolarHBondContact O-CB 3.5Å; D715-L719 PolarHBondContact O-N 3.3Å
716N97.1Very high96.2Very high3 Ų359.2 Ų59.22%0.01628%0.284CS..Hα-helixtrans-61.5-42.5173.3-170.663.1000112.2S689 L690 L712 F713 R714 E718 L719 I720 D732 F734S689-N716 WeakPolarHBondContact CB-OD1 3.46Å; S689-N716 PolarHBondContact OG-OD1 3.39Å; S689-N716 VanDerWaalsContact OG-OD1 3.13Å; L690-N716 HydrophobicContact CB-CB 4.15Å; L690-N716 WeakPolarHBondContact CB-OD1 3.46Å; L690-N716 HydrophobicContact CD1-CB 3.97Å; L690-N716 HydrophobicContact CG-CB 4.24Å; L690-N716 PolarHBondContact N-OD1 2.86Å; L712-N716 WeakPolarHBondContact O-CB 3.45Å; L712-N716 PolarHBondContact O-N 3.28Å; F713-N716 WeakPolarHBondContact O-CB 3.42Å; F713-N716 PolarHBondContact O-N 3.2Å; R714-N716 PolarHBondContact O-N 2.8Å; N716-E718 VanDerWaalsContact C-N 3.35Å; N716-E718 PolarHBondContact O-N 2.88Å; N716-L719 WeakPolarHBondContact O-CB 3.34Å; N716-L719 PolarHBondContact O-N 2.86Å; N716-I720 WeakPolarHBondContact O-CG1 3.41Å; N716-I720 PolarHBondContact O-N 3.2Å; N716-D732 PolarHBondContact ND2-OD1 3.05Å; N716-F734 HydrophobicContact CB-CB 4.42Å; N716-F734 HydrophobicContact CB-CD2 4.34Å; N716-F734 HydrophobicContact CB-CG 4.45Å; N716-F734 WeakPolarHBondContact ND2-CB 3.15Å
717A96Very high96.4Very high57 Ų5767.1 Ų67.147%0.47131%0.309SS..Hα-helixtrans-62.8-41.6176.400000111.7F713 R714 I720 S721F713-A717 PolarHBondContact O-N 3.17Å; R714-A717 WeakPolarHBondContact O-CB 3.49Å; R714-A717 PolarHBondContact O-N 2.75Å; R714-A717 VanDerWaalsContact O-N 3.16Å; A717-I720 PolarHBondContact O-N 3.24Å; A717-S721 WeakPolarHBondContact O-CB 3.35Å; A717-S721 PolarHBondContact O-N 2.85Å
718E96.9Very high96.5Very high86 Ų8662.8 Ų62.840%0.40228%0.281SS..Hα-helixtrans-68.2-35.4176-178.352.7-150.100112.5R714 D715 N716 S721 T722 R725R714-E718 PolarHBondContact O-N 3.07Å; D715-E718 PolarHBondContact O-N 3.17Å; N716-E718 VanDerWaalsContact C-N 3.35Å; N716-E718 PolarHBondContact O-N 2.88Å; E718-S721 PolarHBondContact O-N 2.88Å; E718-T722 WeakPolarHBondContact O-CB 3.46Å; E718-T722 PolarHBondContact O-N 2.83Å; E718-T722 PolarHBondContact O-OG1 3.07Å; E718-T722 PolarHBondContact OE1-OG1 2.94Å; E718-R725 IonicContact OE1-CZ 3.8Å; E718-R725 IonicContact OE1-NH1 3.52Å; E718-R725 IonicContact OE1-NH2 3.01Å; E718-R725 PolarHBondContact OE1-NH2 3.2Å
719L97.7Very high96.6Very high1 Ų161.3 Ų61.31%0.00527%0.274CS..Hα-helixtrans-62-48.8174.4-178.970.3000111.2L663 L668 V687 L690 D715 N716 T722 A723L663-L719 HydrophobicContact CB-CD2 4.48Å; L663-L719 HydrophobicContact CD2-CD1 4.34Å; L663-L719 HydrophobicContact CD2-CD2 3.97Å; L663-L719 HydrophobicContact CG-CD1 4.06Å; L663-L719 HydrophobicContact CG-CD2 4.19Å; L668-L719 HydrophobicContact CD1-CD1 3.59Å; L668-L719 HydrophobicContact CD1-CG 4.35Å; L668-L719 HydrophobicContact CD2-CD1 4.35Å; L668-L719 HydrophobicContact CG-CD1 3.8Å; V687-L719 HydrophobicContact CG1-CD2 4.48Å; L690-L719 HydrophobicContact CD2-CD2 4.12Å; L690-L719 HydrophobicContact CG-CD2 3.99Å; D715-L719 WeakPolarHBondContact O-CB 3.5Å; D715-L719 PolarHBondContact O-N 3.3Å; N716-L719 WeakPolarHBondContact O-CB 3.34Å; N716-L719 PolarHBondContact O-N 2.86Å; L719-T722 WeakPolarHBondContact O-CB 3.43Å; L719-T722 PolarHBondContact O-N 2.92Å; L719-A723 PolarHBondContact O-N 2.95Å
720I97.5Very high96.7Very high17 Ų1761.1 Ų61.19%0.08727%0.274CS..Hα-helixtrans-63.4-43.3177.4-68.4166.3000110.9H521 N716 A717 T722 A723 R724 D732H521-I720 HydrophobicContact CB-CD1 4.34Å; H521-I720 HydrophobicContact CB-CG2 4Å; H521-I720 VanDerWaalsContact CD2-CG2 3.43Å; H521-I720 WeakPolarHBondContact CD2-CG2 3.34Å; N716-I720 WeakPolarHBondContact O-CG1 3.41Å; N716-I720 PolarHBondContact O-N 3.2Å; A717-I720 PolarHBondContact O-N 3.24Å; I720-T722 VanDerWaalsContact C-N 3.29Å; I720-T722 PolarHBondContact O-N 3.16Å; I720-A723 PolarHBondContact O-N 3.27Å; I720-R724 PolarHBondContact O-N 3.49Å; I720-D732 HydrophobicContact CD1-CB 3.89Å
721S97.8Very high96.8Very high43 Ų4356.9 Ų56.930%0.30126%0.258SS..Hα-helixtrans-57.9-42.9174.4-176.20000111.7A717 E718 R724 R725A717-S721 WeakPolarHBondContact O-CB 3.35Å; A717-S721 PolarHBondContact O-N 2.85Å; E718-S721 PolarHBondContact O-N 2.88Å; S721-R724 PolarHBondContact O-N 3.5Å; S721-R725 WeakPolarHBondContact O-CG 3.35Å; S721-R725 PolarHBondContact O-N 3.19Å; S721-R725 VanDerWaalsContact O-N 3.12Å; S721-R725 PolarHBondContact OG-NH1 3.41Å; S721-R725 VanDerWaalsContact OG-NH1 3.14Å
722T98.2Very high96.8Very high3 Ų356.9 Ų56.92%0.01826%0.255CS..Hα-helixtrans-64.8-45.6176.3-57.90000112S665 L668 E718 L719 I720 R724 R725 L726S665-T722 WeakPolarHBondContact CB-OG1 3.4Å; S665-T722 PolarHBondContact OG-OG1 3.5Å; L668-T722 HydrophobicContact CB-CG2 4.27Å; L668-T722 HydrophobicContact CD1-CG2 4.11Å; E718-T722 WeakPolarHBondContact O-CB 3.46Å; E718-T722 PolarHBondContact O-N 2.83Å; E718-T722 PolarHBondContact O-OG1 3.07Å; E718-T722 PolarHBondContact OE1-OG1 2.94Å; L719-T722 WeakPolarHBondContact O-CB 3.43Å; L719-T722 PolarHBondContact O-N 2.92Å; I720-T722 VanDerWaalsContact C-N 3.29Å; I720-T722 PolarHBondContact O-N 3.16Å; T722-R724 VanDerWaalsContact C-N 3.29Å; T722-R724 PolarHBondContact O-N 3.12Å; T722-R725 PolarHBondContact O-N 3.44Å; T722-R725 VanDerWaalsContact O-N 3.16Å; T722-R725 PolarHBondContact OG1-NH2 3.29Å; T722-L726 HydrophobicContact CG2-CD1 4.02Å; T722-L726 WeakPolarHBondContact O-CG 3.46Å; T722-L726 PolarHBondContact O-N 3.4Å
723A97.9Very high96.9Very high0 Ų056.1 Ų56.10%025%0.251CS..Hα-helixtrans-56-46.2177.600000111L668 V687 L719 I720 R725 L726 R727 F728 A730L668-A723 HydrophobicContact CD1-CB 3.9Å; V687-A723 HydrophobicContact CB-CB 4.37Å; V687-A723 HydrophobicContact CG2-CB 4.03Å; L719-A723 PolarHBondContact O-N 2.95Å; I720-A723 PolarHBondContact O-N 3.27Å; A723-R725 PolarHBondContact O-N 3.19Å; A723-L726 CarbonylContact O-C 3.59Å; A723-L726 PolarHBondContact O-N 3.5Å; A723-L726 VanDerWaalsContact O-N 3.15Å; A723-R727 PolarHBondContact O-N 2.94Å; A723-R727 VanDerWaalsContact O-N 3.12Å; A723-F728 HydrophobicContact CB-CB 4.2Å; A723-F728 PolarHBondContact O-N 3.5Å; A723-A730 HydrophobicContact CB-CB 4.31Å
724R96.9Very high96.9Very high162 Ų16253.7 Ų53.761%0.61124%0.24SC*.Hα-helixtrans-58.3-45.4174.9-77.2171.838.41145.1113.3I720 S721 T722 L726 R727I720-R724 PolarHBondContact O-N 3.49Å; S721-R724 PolarHBondContact O-N 3.5Å; T722-R724 VanDerWaalsContact C-N 3.29Å; T722-R724 PolarHBondContact O-N 3.12Å; R724-L726 PolarHBondContact O-N 3.03Å; R724-R727 PolarHBondContact O-N 3.35Å
725R97.7Very high96.8Very high143 Ų14346.3 Ų46.354%0.5422%0.215SC..Hα-helixtrans-61.2-34.4177.8-72-174.6-60.3-113.75.4112.1E718 S721 T722 A723 R727E718-R725 IonicContact OE1-CZ 3.8Å; E718-R725 IonicContact OE1-NH1 3.52Å; E718-R725 IonicContact OE1-NH2 3.01Å; E718-R725 PolarHBondContact OE1-NH2 3.2Å; S721-R725 WeakPolarHBondContact O-CG 3.35Å; S721-R725 PolarHBondContact O-N 3.19Å; S721-R725 VanDerWaalsContact O-N 3.12Å; S721-R725 PolarHBondContact OG-NH1 3.41Å; S721-R725 VanDerWaalsContact OG-NH1 3.14Å; T722-R725 PolarHBondContact O-N 3.44Å; T722-R725 VanDerWaalsContact O-N 3.16Å; T722-R725 PolarHBondContact OG1-NH2 3.29Å; A723-R725 PolarHBondContact O-N 3.19Å; R725-R727 VanDerWaalsContact C-N 3.27Å
726L97.6Very high96.7Very high42 Ų4242.5 Ų42.522%0.2220%0.195CC..THydrogen-bonded Turntrans-84.75175.8-62.8174.1000113.3L668 Q672 T722 A723 R724 F728L668-L726 HydrophobicContact CB-CD1 3.75Å; Q672-L726 HydrophobicContact CG-CD2 4.49Å; T722-L726 HydrophobicContact CG2-CD1 4.02Å; T722-L726 WeakPolarHBondContact O-CG 3.46Å; T722-L726 PolarHBondContact O-N 3.4Å; A723-L726 CarbonylContact O-C 3.59Å; A723-L726 PolarHBondContact O-N 3.5Å; A723-L726 VanDerWaalsContact O-N 3.15Å; R724-L726 PolarHBondContact O-N 3.03Å; L726-F728 HydrophobicContact CB-CD1 4.24Å; L726-F728 HydrophobicContact CB-CD2 4.01Å; L726-F728 HydrophobicContact CB-CE1 4.25Å; L726-F728 HydrophobicContact CB-CE2 4.02Å; L726-F728 HydrophobicContact CB-CG 4.13Å; L726-F728 HydrophobicContact CB-CZ 4.14Å; L726-F728 HydrophobicContact CD1-CD2 4.29Å; L726-F728 HydrophobicContact CD1-CE2 3.89Å; L726-F728 HydrophobicContact CD1-CZ 4.46Å; L726-F728 VanDerWaalsContact O-CD1 3.3Å; L726-F728 WeakPolarHBondContact O-CD1 3.25Å; L726-F728 PolarHBondContact O-N 3.49Å
727R96.1Very high96.6Very high236 Ų23642.5 Ų42.589%0.89120%0.195SC*.THydrogen-bonded Turntrans56.726.9-174.6-54.4-166.9-179.5-175.92.1114.4A723 R724 R725A723-R727 PolarHBondContact O-N 2.94Å; A723-R727 VanDerWaalsContact O-N 3.12Å; R724-R727 PolarHBondContact O-N 3.35Å; R725-R727 VanDerWaalsContact C-N 3.27Å
728F97.9Very high96.5Very high19 Ų1940 Ų408%0.08317%0.174CC..  trans-84.2143.8169.8-59.1-15.5000109.8V671 Q672 V685 V687 A723 L726V671-F728 HydrophobicContact CB-CE2 4.26Å; V671-F728 HydrophobicContact CG1-CE2 4.11Å; V671-F728 HydrophobicContact CG1-CZ 4.11Å; Q672-F728 HydrophobicContact CB-CZ 4.17Å; V685-F728 HydrophobicContact CB-CB 4.23Å; V685-F728 HydrophobicContact CB-CD1 3.55Å; V685-F728 HydrophobicContact CB-CD2 4.25Å; V685-F728 HydrophobicContact CB-CE1 3.89Å; V685-F728 HydrophobicContact CB-CG 3.76Å; V685-F728 HydrophobicContact CB-CZ 4.38Å; V685-F728 HydrophobicContact CG1-CB 4.23Å; V685-F728 HydrophobicContact CG1-CD1 4.02Å; V685-F728 HydrophobicContact CG1-CD2 3.76Å; V685-F728 HydrophobicContact CG1-CE1 4.29Å; V685-F728 HydrophobicContact CG1-CE2 4.06Å; V685-F728 HydrophobicContact CG1-CG 3.74Å; V685-F728 HydrophobicContact CG1-CZ 4.31Å; V685-F728 HydrophobicContact CG2-CD1 3.95Å; V685-F728 HydrophobicContact CG2-CE1 3.76Å; V685-F728 HydrophobicContact CG2-CZ 4.18Å; V687-F728 HydrophobicContact CG2-CB 4.07Å; V687-F728 HydrophobicContact CG2-CD2 4.16Å; A723-F728 HydrophobicContact CB-CB 4.2Å; A723-F728 PolarHBondContact O-N 3.5Å; L726-F728 HydrophobicContact CB-CD1 4.24Å; L726-F728 HydrophobicContact CB-CD2 4.01Å; L726-F728 HydrophobicContact CB-CE1 4.25Å; L726-F728 HydrophobicContact CB-CE2 4.02Å; L726-F728 HydrophobicContact CB-CG 4.13Å; L726-F728 HydrophobicContact CB-CZ 4.14Å; L726-F728 HydrophobicContact CD1-CD2 4.29Å; L726-F728 HydrophobicContact CD1-CE2 3.89Å; L726-F728 HydrophobicContact CD1-CZ 4.46Å; L726-F728 VanDerWaalsContact O-CD1 3.3Å; L726-F728 WeakPolarHBondContact O-CD1 3.25Å; L726-F728 PolarHBondContact O-N 3.49Å
729E97.6Very high96.2Very high38 Ų3836 Ų3618%0.17816%0.155CC..EExtended strand (participates in β ladder)trans-72.8151.8168.8179.160.1-9200109.4S519 G520 V685 V686 V687 R815S519-E729 PolarHBondContact OG-OE1 3.48Å; G520-E729 PolarHBondContact N-OE1 3.48Å; V685-E729 PolarHBondContact O-N 3.38Å; V686-E729 CarbonylContact C-O 3.56Å; V686-E729 WeakPolarHBondContact CA-O 3.43Å; V686-E729 HydrophobicContact CG1-CB 4.33Å; V686-E729 HydrophobicContact CG1-CG 4.14Å; V686-E729 HydrophobicContact CG2-CB 4.24Å; V687-E729 PolarHBondContact N-O 2.89Å; E729-R815 HydrophobicContact CG-CB 3.98Å; E729-R815 HydrophobicContact CG-CG 3.99Å; E729-R815 WeakPolarHBondContact OE2-CD 3.43Å
730A97.1Very high96Very high2 Ų236.5 Ų36.52%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-133.9139.5177.800000111.1G520 H521 V687 A723G520-A730 CarbonylContact C-O 3.43Å; G520-A730 WeakPolarHBondContact CA-O 3.27Å; G520-A730 PolarHBondContact N-O 2.81Å; H521-A730 HydrophobicContact CB-CB 4.18Å; H521-A730 PolarHBondContact N-O 3.23Å; V687-A730 HydrophobicContact CB-CB 4.5Å; V687-A730 CarbonylContact O-C 3.59Å; V687-A730 VanDerWaalsContact O-CA 3.29Å; V687-A730 WeakPolarHBondContact O-CA 3.43Å; A723-A730 HydrophobicContact CB-CB 4.31Å
731V96.9Very high95.9Very high0 Ų036.5 Ų36.50%016%0.156CC..EExtended strand (participates in β ladder)trans-112.7114.8170.6179.60000107.7V686 V687 S689 T733 I811 L812V686-V731 HydrophobicContact CG1-CG2 4.02Å; V687-V731 PolarHBondContact O-N 3.5Å; S689-V731 WeakPolarHBondContact CB-O 3.31Å; S689-V731 PolarHBondContact N-O 3.2Å; S689-V731 PolarHBondContact OG-O 3.34Å; V731-T733 HydrophobicContact CG1-CG2 4.27Å; V731-T733 PolarHBondContact O-N 2.9Å; V731-I811 HydrophobicContact CG1-CB 4.27Å; V731-I811 HydrophobicContact CG1-CG2 3.9Å; V731-I811 HydrophobicContact CG2-CG2 4.19Å; V731-L812 HydrophobicContact CG2-CB 4.4Å
732D95.9Very high95.7Very high15 Ų1535.9 Ų35.98%0.0815%0.148CC..  trans-81.984.5-175.3-171.819.5000112.7G520 H521 S689 N716 I720 F734 S735 I736G520-D732 PolarHBondContact O-N 2.83Å; H521-D732 HydrophobicContact CB-CB 3.96Å; S689-D732 VanDerWaalsContact OG-CA 3.32Å; S689-D732 WeakPolarHBondContact OG-CA 3.45Å; S689-D732 PolarHBondContact OG-OD1 3.21Å; N716-D732 PolarHBondContact ND2-OD1 3.05Å; I720-D732 HydrophobicContact CD1-CB 3.89Å; D732-F734 VanDerWaalsContact C-N 3.29Å; D732-F734 PolarHBondContact O-N 3.43Å; D732-F734 PolarHBondContact OD1-N 3.49Å; D732-S735 WeakPolarHBondContact OD2-CB 3.04Å; D732-S735 PolarHBondContact OD2-OG 2.91Å; D732-I736 WeakPolarHBondContact O-CD1 3.38Å; D732-I736 WeakPolarHBondContact O-CG1 3.02Å
733T95.6Very high95.5Very high1 Ų136.4 Ų36.41%0.00615%0.15CC..Hα-helixtrans-73.4-20.1178.553.90000113.8K688 S689 L690 V731 T737 Y808K688-T733 HydrophobicContact CD-CG2 4.45Å; K688-T733 WeakPolarHBondContact CE-OG1 3.23Å; K688-T733 HydrophobicContact CG-CG2 3.71Å; K688-T733 PolarHBondContact NZ-OG1 3Å; S689-T733 PolarHBondContact O-OG1 3.34Å; S689-T733 PolarHBondContact OG-N 3.41Å; S689-T733 PolarHBondContact OG-OG1 3.04Å; L690-T733 CarbonylContact O-C 3.56Å; L690-T733 PolarHBondContact O-OG1 3.49Å; V731-T733 HydrophobicContact CG1-CG2 4.27Å; V731-T733 PolarHBondContact O-N 2.9Å; T733-T737 WeakPolarHBondContact O-CB 3.46Å; T733-T737 VanDerWaalsContact O-CG2 3.31Å; T733-T737 WeakPolarHBondContact O-CG2 3.5Å; T733-T737 PolarHBondContact O-N 2.98Å; T733-T737 PolarHBondContact O-OG1 3.17Å; T733-Y808 HydrophobicContact CG2-CD1 3.9Å; T733-Y808 HydrophobicContact CG2-CD2 4.29Å; T733-Y808 HydrophobicContact CG2-CG 3.72Å
734F95.4Very high95.3Very high0 Ų036.4 Ų36.40%015%0.15CC..Hα-helixtrans-67.6-50.8-179.7-165.5-69.9000110.3V496 S689 L690 M692 L712 F713 N716 D732 I736 T737 M738V496-F734 HydrophobicContact CG1-CE1 4.09Å; V496-F734 HydrophobicContact CG1-CZ 4.33Å; S689-F734 PolarHBondContact OG-N 3.39Å; L690-F734 HydrophobicContact CB-CD2 3.86Å; L690-F734 WeakPolarHBondContact O-CA 3.39Å; L690-F734 WeakPolarHBondContact O-CB 3.23Å; L690-F734 PolarHBondContact O-N 3.2Å; M692-F734 HydrophobicContact CE-CD1 4.33Å; M692-F734 HydrophobicContact CE-CD2 3.94Å; M692-F734 HydrophobicContact CE-CE1 3.66Å; M692-F734 HydrophobicContact CE-CE2 3.23Å; M692-F734 HydrophobicContact CE-CG 4.47Å; M692-F734 HydrophobicContact CE-CZ 3.09Å; M692-F734 HydrophobicContact SD-CZ 4.49Å; L712-F734 HydrophobicContact CB-CE2 4.02Å; L712-F734 HydrophobicContact CD2-CE2 3.87Å; L712-F734 HydrophobicContact CG-CE2 3.86Å; F713-F734 HydrophobicContact CB-CE1 3.79Å; F713-F734 HydrophobicContact CB-CE2 4.49Å; F713-F734 HydrophobicContact CB-CZ 3.67Å; F713-F734 AromaticContact CD2-CD1 3.67Å; F713-F734 HydrophobicContact CD2-CD1 3.67Å; F713-F734 AromaticContact CD2-CE1 3.49Å; F713-F734 HydrophobicContact CD2-CE1 3.49Å; F713-F734 VanDerWaalsContact CD2-CE1 3.49Å; F713-F734 HydrophobicContact CD2-CZ 4.23Å; F713-F734 HydrophobicContact CE2-CD1 4.43Å; F713-F734 HydrophobicContact CG-CE1 4.09Å; F713-F734 HydrophobicContact CG-CZ 4.46Å; N716-F734 HydrophobicContact CB-CB 4.42Å; N716-F734 HydrophobicContact CB-CD2 4.34Å; N716-F734 HydrophobicContact CB-CG 4.45Å; N716-F734 WeakPolarHBondContact ND2-CB 3.15Å; D732-F734 VanDerWaalsContact C-N 3.29Å; D732-F734 PolarHBondContact O-N 3.43Å; D732-F734 PolarHBondContact OD1-N 3.49Å; F734-I736 PolarHBondContact O-N 3.14Å; F734-T737 PolarHBondContact O-N 2.87Å; F734-T737 PolarHBondContact O-OG1 3.43Å; F734-M738 HydrophobicContact CD1-CB 4.32Å; F734-M738 HydrophobicContact CE1-CB 4.33Å; F734-M738 HydrophobicContact CE1-SD 4.25Å; F734-M738 VanDerWaalsContact O-CB 3.28Å; F734-M738 WeakPolarHBondContact O-CB 3.46Å; F734-M738 PolarHBondContact O-N 3.11Å
735S92.8Very high95.1Very high22 Ų2229.4 Ų29.415%0.15413%0.125CC..Hα-helixtrans-59.1-36.9178.9-65.30000112.2D732D732-S735 WeakPolarHBondContact OD2-CB 3.04Å; D732-S735 PolarHBondContact OD2-OG 2.91Å
736I94.7Very high94.6Very high2 Ų225.9 Ų25.91%0.0111%0.114CC..Hα-helixtrans-68.7-45.7177.6-63.2166.8000111.3W526 W546 D732 F734 V804 V807 Y808 I811W526-I736 HydrophobicContact CH2-CG2 4.33Å; W526-I736 HydrophobicContact CZ2-CG2 3.62Å; W526-I736 PolarHBondContact NE1-O 3.13Å; W546-I736 HydrophobicContact CD2-CG1 3.9Å; W546-I736 HydrophobicContact CE3-CG1 4.28Å; W546-I736 HydrophobicContact CG-CG1 4.36Å; W546-I736 HydrophobicContact CH2-CG1 4.28Å; W546-I736 HydrophobicContact CZ2-CG1 3.9Å; W546-I736 HydrophobicContact CZ3-CG1 4.46Å; D732-I736 WeakPolarHBondContact O-CD1 3.38Å; D732-I736 WeakPolarHBondContact O-CG1 3.02Å; F734-I736 PolarHBondContact O-N 3.14Å; I736-V804 HydrophobicContact CG2-CG1 4.15Å; I736-V807 HydrophobicContact CD1-CG1 4.14Å; I736-V807 HydrophobicContact CG2-CB 4.43Å; I736-V807 HydrophobicContact CG2-CG1 4.05Å; I736-Y808 HydrophobicContact CG2-CD1 4.44Å; I736-I811 HydrophobicContact CD1-CD1 3.72Å
737T94.7Very high94Very high4 Ų425.6 Ų25.63%0.02512%0.121CC..Hα-helixtrans-79.9-26.2-174.854.10000113.6M692 T733 F734 G739 R740 Y741 F753 V804 Y808M692-T737 PolarHBondContact N-OG1 3.43Å; T733-T737 WeakPolarHBondContact O-CB 3.46Å; T733-T737 VanDerWaalsContact O-CG2 3.31Å; T733-T737 WeakPolarHBondContact O-CG2 3.5Å; T733-T737 PolarHBondContact O-N 2.98Å; T733-T737 PolarHBondContact O-OG1 3.17Å; F734-T737 PolarHBondContact O-N 2.87Å; F734-T737 PolarHBondContact O-OG1 3.43Å; T737-G739 PolarHBondContact O-N 3.48Å; T737-R740 CarbonylContact O-C 3.48Å; T737-R740 PolarHBondContact O-N 2.8Å; T737-R740 VanDerWaalsContact O-N 3.17Å; T737-Y741 WeakPolarHBondContact O-CA 3.31Å; T737-Y741 PolarHBondContact O-N 2.77Å; T737-F753 HydrophobicContact CG2-CD2 3.92Å; T737-F753 HydrophobicContact CG2-CE2 3.71Å; T737-F753 HydrophobicContact CG2-CG 4.48Å; T737-F753 HydrophobicContact CG2-CZ 4.11Å; T737-V804 HydrophobicContact CG2-CG1 3.8Å; T737-Y808 HydrophobicContact CG2-CE1 4.46Å
738M93.5Very high93.4Very high5 Ų522.6 Ų22.63%0.02511%0.11CC..Hα-helixtrans-56.5-46-179177.2-179.272.400113.2L489 Q490 V496 M692 F734 R740L489-M738 VanDerWaalsContact O-CE 3.29Å; L489-M738 WeakPolarHBondContact O-CE 3.41Å; Q490-M738 HydrophobicContact CB-CE 4.17Å; Q490-M738 HydrophobicContact CB-CG 4.29Å; Q490-M738 HydrophobicContact CB-SD 4.44Å; V496-M738 HydrophobicContact CB-CG 4.11Å; V496-M738 HydrophobicContact CB-SD 3.57Å; V496-M738 VanDerWaalsContact CB-SD 3.57Å; V496-M738 HydrophobicContact CG1-SD 3.87Å; V496-M738 HydrophobicContact CG2-CG 3.77Å; V496-M738 HydrophobicContact CG2-SD 3.94Å; M692-M738 HydrophobicContact CG-CB 4.46Å; F734-M738 HydrophobicContact CD1-CB 4.32Å; F734-M738 HydrophobicContact CE1-CB 4.33Å; F734-M738 HydrophobicContact CE1-SD 4.25Å; F734-M738 VanDerWaalsContact O-CB 3.28Å; F734-M738 WeakPolarHBondContact O-CB 3.46Å; F734-M738 PolarHBondContact O-N 3.11Å; M738-R740 VanDerWaalsContact C-N 3.32Å; M738-R740 PolarHBondContact O-N 3.24Å
739G91.5Very high92.9Very high0 Ų022.4 Ų22.40%011%0.111CC..Hα-helixtrans-70.2-26.5178.900000114.1F488 L489 T737F488-G739 WeakPolarHBondContact CE2-O 3.39Å; L489-G739 WeakPolarHBondContact O-CA 3.37Å; L489-G739 PolarHBondContact O-N 2.81Å; T737-G739 PolarHBondContact O-N 3.48Å
740R93.6Very high92.6Very high12 Ų1220.7 Ų20.75%0.04510%0.103CC..THydrogen-bonded Turntrans-120.331.9-173.4-65.3-177.875.8176.97.5112.5F488 W526 T737 M738 K742 E743 V804F488-R740 HydrophobicContact CE2-CG 4.25Å; F488-R740 HydrophobicContact CZ-CG 4.24Å; W526-R740 VanDerWaalsContact CD2-CD 3.46Å; W526-R740 HydrophobicContact CD2-CG 4.13Å; W526-R740 HydrophobicContact CG-CG 4.28Å; W526-R740 VanDerWaalsContact CH2-NH1 3.28Å; W526-R740 HydrophobicContact CZ2-CG 4.19Å; T737-R740 CarbonylContact O-C 3.48Å; T737-R740 PolarHBondContact O-N 2.8Å; T737-R740 VanDerWaalsContact O-N 3.17Å; M738-R740 VanDerWaalsContact C-N 3.32Å; M738-R740 PolarHBondContact O-N 3.24Å; R740-K742 PolarHBondContact O-N 3.48Å; R740-K742 VanDerWaalsContact O-N 3.08Å; R740-E743 HydrophobicContact CB-CG 4.39Å; R740-E743 IonicContact CZ-OE1 3.34Å; R740-E743 IonicContact CZ-OE2 2.9Å; R740-E743 IonicContact NE-OE1 3.92Å; R740-E743 PolarHBondContact NE-OE1 2.71Å; R740-E743 IonicContact NE-OE2 3.3Å; R740-E743 PolarHBondContact NE-OE2 3.05Å; R740-E743 IonicContact NH2-OE1 2.82Å; R740-E743 PolarHBondContact NH2-OE1 2.92Å; R740-E743 IonicContact NH2-OE2 3.96Å; R740-E743 PolarHBondContact NH2-OE2 2.81Å; R740-E743 WeakPolarHBondContact O-CB 3.26Å; R740-E743 PolarHBondContact O-N 3.06Å; R740-V804 HydrophobicContact CB-CG2 3.92Å
741Y93.6Very high92.2Very high18 Ų1820.8 Ų20.87%0.07110%0.104CC..THydrogen-bonded Turntrans-61.2-24.8-172.479.3-94.5000113.6D491 M494 H695 T737 E743 F744D491-Y741 HydrophobicContact CB-CD1 4.23Å; D491-Y741 HydrophobicContact CB-CE1 3.82Å; M494-Y741 HydrophobicContact CB-CD1 4.06Å; M494-Y741 HydrophobicContact CB-CE1 3.47Å; M494-Y741 VanDerWaalsContact CB-CE1 3.47Å; M494-Y741 HydrophobicContact CE-CD2 3.99Å; M494-Y741 HydrophobicContact CE-CE1 4.47Å; M494-Y741 HydrophobicContact CE-CE2 3.63Å; M494-Y741 HydrophobicContact SD-CD1 4.3Å; M494-Y741 HydrophobicContact SD-CD2 4.24Å; M494-Y741 HydrophobicContact SD-CE1 4.4Å; M494-Y741 HydrophobicContact SD-CE2 4.33Å; M494-Y741 HydrophobicContact SD-CG 4.21Å; H695-Y741 AromaticContact CD2-CD2 3.7Å; H695-Y741 AromaticContact CD2-CE2 3.85Å; H695-Y741 AromaticContact CE1-CD2 3.66Å; H695-Y741 AromaticContact NE2-CD2 3.31Å; H695-Y741 VanDerWaalsContact NE2-CD2 3.31Å; H695-Y741 WeakPolarHBondContact NE2-CD2 3.46Å; H695-Y741 AromaticContact NE2-CE2 3.75Å; T737-Y741 WeakPolarHBondContact O-CA 3.31Å; T737-Y741 PolarHBondContact O-N 2.77Å; Y741-E743 VanDerWaalsContact C-N 3.27Å; Y741-E743 PolarHBondContact O-N 3.12Å; Y741-F744 WeakPolarHBondContact O-CD1 3.49Å
742K94.6Very high91.8Very high29 Ų2922.3 Ų22.313%0.12611%0.111CC..THydrogen-bonded Turntrans-74.6-12.5177.3-65.5-178.8178.6169.60113.4F407 D408 V410 R471 D491 R740 F744F407-K742 HydrophobicContact CE1-CB 4.32Å; F407-K742 HydrophobicContact CE1-CD 4.18Å; F407-K742 HydrophobicContact CZ-CB 3.94Å; D408-K742 IonicContact OD1-NZ 3.03Å; D408-K742 PolarHBondContact OD1-NZ 3.4Å; V410-K742 HydrophobicContact CG1-CB 4.15Å; V410-K742 HydrophobicContact CG1-CG 4.03Å; R471-K742 VanDerWaalsContact CZ-O 3.31Å; R471-K742 PolarHBondContact NH1-O 3.49Å; R471-K742 PolarHBondContact NH2-O 3.32Å; D491-K742 IonicContact OD1-NZ 2.75Å; D491-K742 IonicContact OD2-NZ 3.45Å; R740-K742 PolarHBondContact O-N 3.48Å; R740-K742 VanDerWaalsContact O-N 3.08Å; K742-F744 VanDerWaalsContact C-N 3.28Å; K742-F744 PolarHBondContact O-N 2.9Å
743E93.5Very high91.7Very high14 Ų1421.7 Ų21.77%0.06511%0.107CC..  trans-95.228.8-172.1-62-174.6-140.500113.6F407 M442 R740 Y741F407-E743 HydrophobicContact CE2-CG 3.97Å; F407-E743 HydrophobicContact CZ-CG 3.92Å; M442-E743 HydrophobicContact CE-CB 3.75Å; M442-E743 HydrophobicContact CE-CG 4.39Å; M442-E743 VanDerWaalsContact CE-O 3.3Å; M442-E743 WeakPolarHBondContact CE-O 3.27Å; M442-E743 HydrophobicContact SD-CB 3.99Å; M442-E743 HydrophobicContact SD-CG 4.06Å; R740-E743 HydrophobicContact CB-CG 4.39Å; R740-E743 IonicContact CZ-OE1 3.34Å; R740-E743 IonicContact CZ-OE2 2.9Å; R740-E743 IonicContact NE-OE1 3.92Å; R740-E743 PolarHBondContact NE-OE1 2.71Å; R740-E743 IonicContact NE-OE2 3.3Å; R740-E743 PolarHBondContact NE-OE2 3.05Å; R740-E743 IonicContact NH2-OE1 2.82Å; R740-E743 PolarHBondContact NH2-OE1 2.92Å; R740-E743 IonicContact NH2-OE2 3.96Å; R740-E743 PolarHBondContact NH2-OE2 2.81Å; R740-E743 WeakPolarHBondContact O-CB 3.26Å; R740-E743 PolarHBondContact O-N 3.06Å; Y741-E743 VanDerWaalsContact C-N 3.27Å; Y741-E743 PolarHBondContact O-N 3.12Å
744F94.3Very high91.5Very high1 Ų122.3 Ų22.30%0.00411%0.11CC..  trans-67.6147.4168.665.2-87.5000110.4V410 P439 V440 G441 M442 L696 Y741 K742 A750 H752 F753V410-F744 HydrophobicContact CB-CE1 4.04Å; V410-F744 HydrophobicContact CB-CZ 4.08Å; V410-F744 HydrophobicContact CG1-CE1 4Å; V410-F744 HydrophobicContact CG1-CZ 4.45Å; P439-F744 HydrophobicContact CB-CE2 4.08Å; P439-F744 HydrophobicContact CB-CZ 4.46Å; V440-F744 WeakPolarHBondContact O-CE2 3.28Å; V440-F744 WeakPolarHBondContact O-CZ 3.48Å; G441-F744 VanDerWaalsContact CA-CE2 3.5Å; G441-F744 WeakPolarHBondContact CA-O 3.47Å; M442-F744 PolarHBondContact N-O 2.04Å; L696-F744 HydrophobicContact CD1-CE1 3.95Å; L696-F744 HydrophobicContact CD1-CZ 3.71Å; Y741-F744 WeakPolarHBondContact O-CD1 3.49Å; K742-F744 VanDerWaalsContact C-N 3.28Å; K742-F744 PolarHBondContact O-N 2.9Å; F744-A750 HydrophobicContact CB-CB 4.35Å; F744-A750 WeakPolarHBondContact CB-O 3.2Å; F744-A750 HydrophobicContact CD1-CB 3.48Å; F744-A750 VanDerWaalsContact CD1-CB 3.48Å; F744-A750 HydrophobicContact CD2-CB 3.9Å; F744-A750 HydrophobicContact CE1-CB 3.6Å; F744-A750 HydrophobicContact CE2-CB 3.99Å; F744-A750 VanDerWaalsContact CG-CA 3.49Å; F744-A750 HydrophobicContact CG-CB 3.64Å; F744-A750 HydrophobicContact CZ-CB 3.85Å; F744-H752 CarbonylContact C-O 3.53Å; F744-H752 VanDerWaalsContact CA-O 3.28Å; F744-H752 WeakPolarHBondContact CA-O 3.35Å; F744-F753 HydrophobicContact CB-CE1 4.42Å
745L93.1Very high91.2Very high15 Ų1525.2 Ų25.28%0.07912%0.124CC..  trans-95.5-178.4175.8-61.1177.8000110M442 G747 H752 E755M442-L745 HydrophobicContact CB-CD2 4.04Å; M442-L745 HydrophobicContact CE-CD2 3.72Å; L745-G747 PolarHBondContact O-N 3.37Å; L745-H752 PolarHBondContact N-O 3.15Å; L745-E755 HydrophobicContact CB-CB 4.5Å; L745-E755 HydrophobicContact CD1-CB 3.86Å
746Q87.3Confident90.9Very high69 Ų6925.2 Ų25.232%0.32212%0.123SC..SBendtrans-57.3134.7-174.2-63.2177.734.400113.1T444T444-Q746 PolarHBondContact O-NE2 3Å; T444-Q746 PolarHBondContact O-OE1 3.19Å; T444-Q746 VanDerWaalsContact O-OE1 3.13Å
747G85.1Confident90.5Very high36 Ų3629 Ų2937%0.37114%0.141SC..SBendtrans171.7178.417600000112.3L745 C749L745-G747 PolarHBondContact O-N 3.37Å; G747-C749 VanDerWaalsContact C-N 3.31Å
748R84Confident89.8Confident173 Ų17335.1 Ų35.165%0.65317%0.167SC*.SBendtrans-76.7-17.3177.6-68-169.7175.4-178-0.5113.1I701I701-R748 HydrophobicContact CD1-CB 4.05Å; I701-R748 WeakPolarHBondContact CD1-O 3.46Å
749C86.3Confident89.1Confident15 Ų1538.5 Ų38.510%0.10118%0.184CC..SBendtrans-131163.3172.646.90000111.9F694 I701 G747 C751 H752F694-C749 HydrophobicContact CD1-CB 4.39Å; F694-C749 HydrophobicContact CE1-CB 4.11Å; I701-C749 HydrophobicContact CD1-CB 4.28Å; G747-C749 VanDerWaalsContact C-N 3.31Å; C749-C751 HydrophobicContact CB-CB 4.03Å; C749-C751 WeakPolarHBondContact CB-SG 3.47Å; C749-C751 PolarHBondContact O-N 3.17Å; C749-C751 WeakPolarHBondContact SG-CB 3.31Å; C749-C751 CovalentContact SG-SG 2.05Å; C749-C751 PolarHBondContact SG-SG 3.19Å; C749-H752 PolarHBondContact O-CD2 2.9Å
750A90.6Very high87.5Confident2 Ų247.2 Ų47.22%0.01723%0.225CC..THydrogen-bonded Turntrans-75.327.5172.700000114.2G693 H695 L696 F744G693-A750 WeakPolarHBondContact CA-O 3.46Å; G693-A750 CarbonylContact O-C 3.59Å; G693-A750 VanDerWaalsContact O-C 3.24Å; G693-A750 PolarHBondContact O-N 3.34Å; H695-A750 VanDerWaalsContact CE1-CB 3.44Å; H695-A750 WeakPolarHBondContact CE1-CB 3.45Å; L696-A750 HydrophobicContact CD1-CB 3.48Å; L696-A750 VanDerWaalsContact CD1-CB 3.48Å; L696-A750 HydrophobicContact CG-CB 3.98Å; F744-A750 HydrophobicContact CB-CB 4.35Å; F744-A750 WeakPolarHBondContact CB-O 3.2Å; F744-A750 HydrophobicContact CD1-CB 3.48Å; F744-A750 VanDerWaalsContact CD1-CB 3.48Å; F744-A750 HydrophobicContact CD2-CB 3.9Å; F744-A750 HydrophobicContact CE1-CB 3.6Å; F744-A750 HydrophobicContact CE2-CB 3.99Å; F744-A750 VanDerWaalsContact CG-CA 3.49Å; F744-A750 HydrophobicContact CG-CB 3.64Å; F744-A750 HydrophobicContact CZ-CB 3.85Å
751C88.9Confident85.3Confident3 Ų351.2 Ų51.22%0.0226%0.255CS..THydrogen-bonded Turntrans-101.3-11.9-172.660.40000112.6G693 F694 C749G693-C751 PolarHBondContact O-N 2.99Å; F694-C751 HydrophobicContact CE2-CB 4.24Å; F694-C751 HydrophobicContact CZ-CB 4.37Å; C749-C751 HydrophobicContact CB-CB 4.03Å; C749-C751 WeakPolarHBondContact CB-SG 3.47Å; C749-C751 PolarHBondContact O-N 3.17Å; C749-C751 WeakPolarHBondContact SG-CB 3.31Å; C749-C751 CovalentContact SG-SG 2.05Å; C749-C751 PolarHBondContact SG-SG 3.19Å
752H89.9Confident82.5Confident33 Ų3355.8 Ų55.815%0.15329%0.29CS..  trans-93.2108.3-173.9-66-83.7000110.4S576 F744 L745 C749S576-H752 VanDerWaalsContact CB-CE1 3.46Å; S576-H752 WeakPolarHBondContact CB-CE1 3.33Å; S576-H752 PolarHBondContact OG-CE1 3.4Å; S576-H752 VanDerWaalsContact OG-CE1 3.22Å; S576-H752 PolarHBondContact OG-ND1 3.47Å; F744-H752 CarbonylContact C-O 3.53Å; F744-H752 VanDerWaalsContact CA-O 3.28Å; F744-H752 WeakPolarHBondContact CA-O 3.35Å; L745-H752 PolarHBondContact N-O 3.15Å; C749-H752 PolarHBondContact O-CD2 2.9Å
753F92.8Very high79.4Confident2 Ų261 Ų611%0.00932%0.319CS..  trans-100.513.1173.9-68.6-81.6000113.3T737 F744 G802 V804 N805T737-F753 HydrophobicContact CG2-CD2 3.92Å; T737-F753 HydrophobicContact CG2-CE2 3.71Å; T737-F753 HydrophobicContact CG2-CG 4.48Å; T737-F753 HydrophobicContact CG2-CZ 4.11Å; F744-F753 HydrophobicContact CB-CE1 4.42Å; F753-G802 WeakPolarHBondContact O-CA 3.22Å; F753-V804 HydrophobicContact CB-CB 4.11Å; F753-V804 HydrophobicContact CB-CG1 4.21Å; F753-V804 HydrophobicContact CD1-CB 3.73Å; F753-V804 HydrophobicContact CD1-CG1 3.76Å; F753-V804 HydrophobicContact CD1-CG2 4Å; F753-V804 HydrophobicContact CE1-CG1 4.31Å; F753-V804 HydrophobicContact CE1-CG2 4.46Å; F753-V804 HydrophobicContact CG-CB 4.14Å; F753-V804 HydrophobicContact CG-CG1 3.95Å; F753-N805 HydrophobicContact CB-CB 4.43Å; F753-N805 WeakPolarHBondContact O-CB 3.45Å
754H92Very high76.4Confident14 Ų1465.6 Ų65.67%0.06535%0.35CS..  trans-137.7153.9176.578.5-75.4000112.4S576 V800 R801 N805S576-H754 PolarHBondContact O-CE1 2.91Å; H754-V800 HydrophobicContact CB-CG1 4.19Å; H754-R801 CarbonylContact C-O 3.58Å; H754-R801 WeakPolarHBondContact CA-O 3.28Å; H754-N805 HydrophobicContact CB-CB 3.85Å
755E89.6Confident73.7Confident61 Ų6171.2 Ų71.229%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-138.8151.8170.8-179.3172.5-163.500109.1L745 V800 R801L745-E755 HydrophobicContact CB-CB 4.5Å; L745-E755 HydrophobicContact CD1-CB 3.86Å; E755-V800 CarbonylContact O-C 3.58Å; E755-V800 WeakPolarHBondContact O-CA 3.33Å; E755-R801 PolarHBondContact N-O 3.43Å; E755-R801 PolarHBondContact O-N 2.93Å
756V86.6Confident70.8Confident22 Ų2278 Ų7813%0.13342%0.423CS..EExtended strand (participates in β ladder)trans-109.7114.8174.4-179.80000108.2F583 L593 W596 F798 R799F583-V756 HydrophobicContact CD2-CG2 3.9Å; F583-V756 HydrophobicContact CE2-CG2 4.27Å; L593-V756 HydrophobicContact CD2-CG1 3.77Å; L593-V756 HydrophobicContact CD2-CG2 4.33Å; W596-V756 HydrophobicContact CB-CG1 4.37Å; W596-V756 HydrophobicContact CD2-CB 4.16Å; W596-V756 HydrophobicContact CD2-CG1 3.91Å; W596-V756 HydrophobicContact CD2-CG2 4.45Å; W596-V756 HydrophobicContact CE3-CB 4.23Å; W596-V756 HydrophobicContact CE3-CG1 4.44Å; W596-V756 HydrophobicContact CE3-CG2 4.2Å; W596-V756 HydrophobicContact CG-CG1 3.83Å; V756-F798 HydrophobicContact CG1-CB 3.77Å; V756-F798 HydrophobicContact CG1-CD1 4.15Å; V756-F798 HydrophobicContact CG1-CG 4.22Å; V756-R799 WeakPolarHBondContact CA-O 3.29Å
757E84.6Confident68Low82 Ų8280 Ų8038%0.38344%0.444SS..EExtended strand (participates in β ladder)trans-100.7142.4-179.8-174172.3-178.200110.6F798 R799 R801E757-F798 CarbonylContact O-C 3.47Å; E757-F798 WeakPolarHBondContact O-CA 3.37Å; E757-F798 WeakPolarHBondContact O-CB 3.48Å; E757-R799 PolarHBondContact N-O 2.89Å; E757-R799 PolarHBondContact O-N 3.07Å; E757-R801 WeakPolarHBondContact OE2-CD 3.21Å; E757-R801 IonicContact OE2-CZ 3.3Å; E757-R801 IonicContact OE2-NE 2.73Å; E757-R801 IonicContact OE2-NH1 3.94Å; E757-R801 PolarHBondContact OE2-NH1 3.33Å
758K81.4Confident65.3Low131 Ų13187.3 Ų87.357%0.5747%0.469SS*.EExtended strand (participates in β ladder)trans-87121.9173.7-172.1-178.5-178.5-175.50109.3P796 F798K758-P796 VanDerWaalsContact CE-CB 3.49Å; K758-P796 HydrophobicContact CG-CB 4.42Å; K758-F798 HydrophobicContact CB-CD1 3.91Å; K758-F798 HydrophobicContact CB-CE1 3.82Å; K758-F798 HydrophobicContact CD-CE1 4.33Å; K758-F798 HydrophobicContact CG-CD1 4.19Å; K758-F798 HydrophobicContact CG-CE1 3.81Å; K758-F798 HydrophobicContact CG-CZ 4.49Å
759L77.9Confident62.7Low76 Ų7683.8 Ų83.840%0.39848%0.477SS..PPolyproline II helixtrans-77.6124.1171.2-61.3165.3000108.3T797 R799L759-T797 VanDerWaalsContact CB-O 3.28Å; L759-T797 WeakPolarHBondContact CB-O 3.47Å; L759-T797 PolarHBondContact N-O 3.47Å; L759-R799 HydrophobicContact CD1-CB 4.39Å; L759-R799 HydrophobicContact CG-CB 4.46Å
760Q57.4Low59.8Low184 Ų18488 Ų8886%0.8651%0.506SS*.PPolyproline II helixtrans-73.7133.9170-67.5-176100108.7S762Q760-S762 PolarHBondContact O-N 2.92Å
761S48.1Very low56.8Low95 Ų9593.4 Ų93.466%0.66454%0.539SS*.PPolyproline II helixtrans-64.9116.6170.448.20000108.3D763S761-D763 PolarHBondContact O-N 3.43Å; S761-D763 VanDerWaalsContact O-N 3.11Å
762S33.9Very low54Low115 Ų115104.4 Ų104.480%0.80458%0.581SS**  trans-67.7103.5172.450.60000109.3Q760Q760-S762 PolarHBondContact O-N 2.92Å
763D30.3Very low51.1Low138 Ų138113.3 Ų113.374%0.73862%0.619SS**  trans-79.1139.5157.7-72.8-32.4000108.4S761S761-D763 PolarHBondContact O-N 3.43Å; S761-D763 VanDerWaalsContact O-N 3.11Å
764P31.7Very low48Very low111 Ų111122.9 Ų122.972%0.72166%0.66SS**  trans-67.5151.1-179.227.2-31.7000111.3D766P764-D766 PolarHBondContact O-N 2.85Å
765P37.2Very low44.9Very low119 Ų119128.5 Ų128.577%0.77370%0.698SS**  trans-83106.7-179.932-27.6000109.9
766D30.8Very low41.9Very low157 Ų157128.7 Ų128.784%0.8472%0.716SS**  trans-170.4138.9161-85.3-36.8000106.3P764P764-D766 PolarHBondContact O-N 2.85Å
767S28.5Very low39.1Very low110 Ų110134.4 Ų134.477%0.76975%0.751SS**  cis-160.6172.79.2-102.30000107.4
768E29.9Very low36.3Very low190 Ų190142.4 Ų142.489%0.88878%0.778SS**  trans-55.3160.1-172.6-62.5-179.413800118
769A28.1Very low33.6Very low99 Ų99142.7 Ų142.782%0.81879%0.791SS**  trans79.8108.7153.900000119.7
770S26.2Very low31.1Very low103 Ų103142.8 Ų142.872%0.7281%0.811SS**  153.8118.4101.5-170.10000113.8
771T27.5Very low29.5Very low117 Ų117139 Ų13972%0.71880%0.804SS**  trans46.6123.4143.760.20000123.9
772R29.7Very low28.6Very low234 Ų234143.6 Ų143.688%0.88382%0.815SS**  trans63.3112.1138.1-69.3178.7175.2-177-0.1118.7
773K28.2Very low28.2Very low219 Ų219143.2 Ų143.295%0.95281%0.813SS**  -164.9150.4119.3-105.3162.9-173.6179.80113.4
774K27.6Very low28.2Very low203 Ų203143 Ų14388%0.88382%0.815SS**  trans-69.2166.2-167-91.4178.2177-179.70115.3
775P28.4Very low28Very low132 Ų132144.7 Ų144.786%0.85782%0.818SS**  trans-81.2125.6-167.132-32.2000112.4
776G25.1Very low27.5Very low65 Ų65145.1 Ų145.167%0.6781%0.814SS**  trans-106.6121.7171.900000111.1
777T28Very low27.4Very low142 Ų142143.6 Ų143.687%0.87181%0.81SS**  trans-36.6125.8165.612.20000113.5
778R25.6Very low27.3Very low250 Ų250147.1 Ų147.194%0.94381%0.814SS**  trans-124.696.8165.7-87-174.7167.7177-3110.9
779T25.2Very low27.4Very low137 Ų137147.2 Ų147.284%0.8482%0.815SS**  trans-68.4113.3155.438.30000109.1S781T779-S781 PolarHBondContact O-N 3.42Å
780G24.7Very low27.4Very low79 Ų79151.7 Ų151.781%0.81482%0.819SS**  trans-85.391.5173.700000111.3
781S25.7Very low27.7Very low103 Ų103154.8 Ų154.872%0.7283%0.827SS**  trans-98.2119.1160.2178.90000107.7T779 S783T779-S781 PolarHBondContact O-N 3.42Å; S781-S783 PolarHBondContact O-N 3.21Å
782H28.8Very low27.9Very low192 Ų192152.7 Ų152.789%0.88983%0.829SS**  trans-84.3106.6171.5-80.2-73000109.5
783S25.7Very low28.2Very low108 Ų108146.7 Ų146.776%0.75582%0.823SS**  trans-134.6122.2158.1560000108.9S781S781-S783 PolarHBondContact O-N 3.21Å
784V29.6Very low29.1Very low132 Ų132145.6 Ų145.680%0.882%0.818SS**  trans-88.2133.4174176.20000107.8
785L27Very low30.4Very low148 Ų148139.1 Ų139.178%0.77580%0.803SS**  trans-177.4118.6134-93156.3000110.7
786D26.9Very low32Very low127 Ų127135.6 Ų135.668%0.67978%0.78SS**  trans68.3118.1140.9-64.5-13.4000125.2
787T28.4Very low34.6Very low125 Ų125135 Ų13577%0.76776%0.763SS**  trans55.9114.6139.447.20000120.6
788E26.9Very low37.3Very low184 Ų184129.6 Ų129.686%0.8673%0.728SS**  -168.4119.7108.3-98.5171.5-176.100111.4
789Q32.5Very low40.2Very low193 Ų193124.4 Ų124.490%0.90271%0.708SS**  trans27.596.6142.5-147.8157.83.400119.6
790E27.9Very low43.3Very low192 Ų192118.4 Ų118.490%0.89767%0.671SS**  trans-134.8132149.3-91.1-171.1167.400111.2
791D31.5Very low46.4Very low168 Ų168121 Ų12190%0.89866%0.657SS**  trans-71.7144.3-172.5-166.410.7000112.2
792G32.8Very low49.5Very low73 Ų73117 Ų11775%0.75363%0.632SS**  trans87.21.9155.200000121.6
793S36.2Very low52.5Low108 Ų108110.2 Ų110.276%0.75561%0.609SS**PPolyproline II helixtrans-86116.9171.769.30000111.4A795S793-A795 PolarHBondContact O-N 3.33Å; S793-A795 VanDerWaalsContact O-N 3.09Å
794K47.7Very low55.8Low196 Ų196105.2 Ų105.285%0.85257%0.574SS**PPolyproline II helixtrans-53.8120.3175.3-78.6179.2-179.1170.80108.9
795A54.8Low58.9Low68 Ų6899 Ų9956%0.56254%0.536SS*.PPolyproline II helixtrans-51.2137.1177.900000110.3S793 T797S793-A795 PolarHBondContact O-N 3.33Å; S793-A795 VanDerWaalsContact O-N 3.09Å; A795-T797 PolarHBondContact O-N 2.59Å
796P61.3Low62.2Low58 Ų5896.9 Ų96.938%0.37752%0.522SS..PPolyproline II helixtrans-59.1126.1-176.824.1-33.2000110.4K758 F798K758-P796 VanDerWaalsContact CE-CB 3.49Å; K758-P796 HydrophobicContact CG-CB 4.42Å; P796-F798 HydrophobicContact CB-CE2 4.27Å; P796-F798 HydrophobicContact CB-CZ 4.22Å; P796-F798 HydrophobicContact CG-CE2 4.15Å; P796-F798 HydrophobicContact CG-CZ 4.19Å; P796-F798 WeakPolarHBondContact O-CD2 3.37Å; P796-F798 WeakPolarHBondContact O-CE2 3.4Å
797T79.2Confident65.4Low52 Ų5292.2 Ų92.232%0.31950%0.498SS..PPolyproline II helixtrans-88.8136174.947.90000110.2L759 A795L759-T797 VanDerWaalsContact CB-O 3.28Å; L759-T797 WeakPolarHBondContact CB-O 3.47Å; L759-T797 PolarHBondContact N-O 3.47Å; A795-T797 PolarHBondContact O-N 2.59Å
798F84.9Confident68.6Low28 Ų2886.2 Ų86.212%0.12346%0.462CS..EExtended strand (participates in β ladder)trans-113.1159.8177.8-57.1-89000111L593 W596 V756 E757 K758 P796L593-F798 HydrophobicContact CB-CB 3.99Å; L593-F798 WeakPolarHBondContact CB-O 3.5Å; L593-F798 HydrophobicContact CD2-CB 4.06Å; L593-F798 HydrophobicContact CG-CB 4.21Å; L593-F798 PolarHBondContact N-O 3.01Å; L593-F798 VanDerWaalsContact N-O 3.16Å; L593-F798 WeakPolarHBondContact O-CB 3.23Å; L593-F798 WeakPolarHBondContact O-CD2 3.49Å; L593-F798 PolarHBondContact O-N 3.38Å; W596-F798 AromaticContact CD1-CD1 3.69Å; W596-F798 AromaticContact CD1-CD2 3.79Å; W596-F798 AromaticContact CD1-CE1 3.69Å; W596-F798 AromaticContact CD1-CE2 3.79Å; W596-F798 AromaticContact CD1-CG 3.75Å; W596-F798 AromaticContact CD1-CZ 3.74Å; W596-F798 AromaticContact NE1-CD1 3.62Å; W596-F798 AromaticContact NE1-CE1 3.35Å; W596-F798 AromaticContact NE1-CZ 3.69Å; V756-F798 HydrophobicContact CG1-CB 3.77Å; V756-F798 HydrophobicContact CG1-CD1 4.15Å; V756-F798 HydrophobicContact CG1-CG 4.22Å; E757-F798 CarbonylContact O-C 3.47Å; E757-F798 WeakPolarHBondContact O-CA 3.37Å; E757-F798 WeakPolarHBondContact O-CB 3.48Å; K758-F798 HydrophobicContact CB-CD1 3.91Å; K758-F798 HydrophobicContact CB-CE1 3.82Å; K758-F798 HydrophobicContact CD-CE1 4.33Å; K758-F798 HydrophobicContact CG-CD1 4.19Å; K758-F798 HydrophobicContact CG-CE1 3.81Å; K758-F798 HydrophobicContact CG-CZ 4.49Å; P796-F798 HydrophobicContact CB-CE2 4.27Å; P796-F798 HydrophobicContact CB-CZ 4.22Å; P796-F798 HydrophobicContact CG-CE2 4.15Å; P796-F798 HydrophobicContact CG-CZ 4.19Å; P796-F798 WeakPolarHBondContact O-CD2 3.37Å; P796-F798 WeakPolarHBondContact O-CE2 3.4Å
799R87.5Confident72Confident142 Ų14277.5 Ų77.554%0.53642%0.421SS..EExtended strand (participates in β ladder)trans-134.4137.8176-178.5166-167.6175.20.9111.1E587 V756 E757 L759E587-R799 WeakPolarHBondContact OE1-CG 3.37Å; E587-R799 IonicContact OE1-NE 3.77Å; V756-R799 WeakPolarHBondContact CA-O 3.29Å; E757-R799 PolarHBondContact N-O 2.89Å; E757-R799 PolarHBondContact O-N 3.07Å; L759-R799 HydrophobicContact CD1-CB 4.39Å; L759-R799 HydrophobicContact CG-CB 4.46Å
800V89.9Confident75Confident11 Ų1169.9 Ų69.97%0.06739%0.385CS..EExtended strand (participates in β ladder)trans-84.8123172.6-173.40000109.1F583 E587 L593 H754 E755F583-V800 HydrophobicContact CB-CG2 3.58Å; E587-V800 VanDerWaalsContact OE2-CB 3.31Å; E587-V800 WeakPolarHBondContact OE2-CB 3.42Å; E587-V800 WeakPolarHBondContact OE2-CG2 3.41Å; E587-V800 PolarHBondContact OE2-N 3.48Å; L593-V800 HydrophobicContact CD2-CG2 4.05Å; H754-V800 HydrophobicContact CB-CG1 4.19Å; E755-V800 CarbonylContact O-C 3.58Å; E755-V800 WeakPolarHBondContact O-CA 3.33Å
801R89.6Confident78.3Confident133 Ų13361.1 Ų61.150%0.50234%0.344SS..EExtended strand (participates in β ladder)trans-107.2157.1174.9-71-173.763.6-178-0.4111.3H754 E755 E757H754-R801 CarbonylContact C-O 3.58Å; H754-R801 WeakPolarHBondContact CA-O 3.28Å; E755-R801 PolarHBondContact N-O 3.43Å; E755-R801 PolarHBondContact O-N 2.93Å; E757-R801 WeakPolarHBondContact OE2-CD 3.21Å; E757-R801 IonicContact OE2-CZ 3.3Å; E757-R801 IonicContact OE2-NE 2.73Å; E757-R801 IonicContact OE2-NH1 3.94Å; E757-R801 PolarHBondContact OE2-NH1 3.33Å
802G91.1Very high81.4Confident20 Ų2053.1 Ų53.121%0.20630%0.302CS..  trans126.8105.9175.500000112.3F753 V804 N805 Q806F753-G802 WeakPolarHBondContact O-CA 3.22Å; G802-V804 VanDerWaalsContact C-N 3.35Å; G802-V804 PolarHBondContact O-N 3.22Å; G802-N805 PolarHBondContact O-N 2.95Å; G802-N805 VanDerWaalsContact O-N 3.14Å; G802-Q806 PolarHBondContact O-N 2.56Å
803A92.1Very high84.4Confident49 Ų4949.7 Ų49.741%0.40527%0.266SS..Hα-helixtrans-62.2-39.9-175.600000112.7Q806 V807A803-Q806 WeakPolarHBondContact O-CB 3.31Å; A803-Q806 PolarHBondContact O-N 2.89Å; A803-V807 PolarHBondContact O-N 3.08Å
804V94.4Very high87.2Confident3 Ų344.6 Ų44.62%0.01823%0.231CC..Hα-helixtrans-65-41.2175.7-179.30000110.7W526 I736 T737 R740 F753 G802 V807 Y808W526-V804 HydrophobicContact CZ2-CG2 4.48Å; I736-V804 HydrophobicContact CG2-CG1 4.15Å; T737-V804 HydrophobicContact CG2-CG1 3.8Å; R740-V804 HydrophobicContact CB-CG2 3.92Å; F753-V804 HydrophobicContact CB-CB 4.11Å; F753-V804 HydrophobicContact CB-CG1 4.21Å; F753-V804 HydrophobicContact CD1-CB 3.73Å; F753-V804 HydrophobicContact CD1-CG1 3.76Å; F753-V804 HydrophobicContact CD1-CG2 4Å; F753-V804 HydrophobicContact CE1-CG1 4.31Å; F753-V804 HydrophobicContact CE1-CG2 4.46Å; F753-V804 HydrophobicContact CG-CB 4.14Å; F753-V804 HydrophobicContact CG-CG1 3.95Å; G802-V804 VanDerWaalsContact C-N 3.35Å; G802-V804 PolarHBondContact O-N 3.22Å; V804-V807 PolarHBondContact O-N 3.01Å; V804-Y808 HydrophobicContact CG1-CD1 4.45Å; V804-Y808 HydrophobicContact CG1-CE1 4.15Å; V804-Y808 WeakPolarHBondContact O-CD1 3.49Å; V804-Y808 WeakPolarHBondContact O-CE1 3.42Å
805N94.9Very high89.4Confident0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-64-40.5175.1-179.589000113.3F753 H754 G802 V807 Y808 S809F753-N805 HydrophobicContact CB-CB 4.43Å; F753-N805 WeakPolarHBondContact O-CB 3.45Å; H754-N805 HydrophobicContact CB-CB 3.85Å; G802-N805 PolarHBondContact O-N 2.95Å; G802-N805 VanDerWaalsContact O-N 3.14Å; N805-V807 VanDerWaalsContact C-N 3.3Å; N805-V807 PolarHBondContact O-N 3.46Å; N805-Y808 WeakPolarHBondContact CA-OH 3.44Å; N805-Y808 HydrophobicContact CB-CE1 4.42Å; N805-Y808 HydrophobicContact CB-CE2 4.06Å; N805-Y808 VanDerWaalsContact CB-OH 3.25Å; N805-Y808 WeakPolarHBondContact CB-OH 3.33Å; N805-Y808 WeakPolarHBondContact O-CD2 3.39Å; N805-Y808 WeakPolarHBondContact O-CE2 3.26Å; N805-Y808 WeakPolarHBondContact OD1-CE2 3.22Å; N805-Y808 VanDerWaalsContact OD1-CZ 3.29Å; N805-Y808 PolarHBondContact OD1-OH 3.32Å; N805-S809 PolarHBondContact ND2-OG 2.73Å; N805-S809 VanDerWaalsContact O-CB 3.22Å; N805-S809 WeakPolarHBondContact O-CB 3.25Å; N805-S809 PolarHBondContact O-N 3.07Å; N805-S809 PolarHBondContact O-OG 3.34Å
806Q95.1Very high91.2Very high104 Ų10433.6 Ų33.649%0.48617%0.169SC..Hα-helixtrans-57.6-43.2176.9-179.6175.5-0.100111.7F584 G802 A803 S809 E810F584-Q806 HydrophobicContact CE2-CB 4.11Å; F584-Q806 HydrophobicContact CE2-CG 3.84Å; F584-Q806 HydrophobicContact CZ-CB 4.49Å; F584-Q806 HydrophobicContact CZ-CG 3.87Å; G802-Q806 PolarHBondContact O-N 2.56Å; A803-Q806 WeakPolarHBondContact O-CB 3.31Å; A803-Q806 PolarHBondContact O-N 2.89Å; Q806-S809 PolarHBondContact O-N 2.94Å; Q806-E810 HydrophobicContact CG-CG 4.3Å; Q806-E810 WeakPolarHBondContact O-CB 3.49Å; Q806-E810 WeakPolarHBondContact O-CG 3.25Å; Q806-E810 PolarHBondContact O-N 3.16Å
807V95.6Very high92.7Very high29 Ų2931.2 Ų31.218%0.17615%0.154CC..Hα-helixtrans-59.5-60.4-178.7169.80000112.3W526 W546 I736 A803 V804 N805 S809 E810 I811W526-V807 HydrophobicContact CH2-CB 4.29Å; W526-V807 HydrophobicContact CH2-CG2 3.67Å; W526-V807 HydrophobicContact CZ3-CG2 4.04Å; W546-V807 HydrophobicContact CB-CG1 3.49Å; W546-V807 VanDerWaalsContact CB-CG1 3.49Å; W546-V807 HydrophobicContact CB-CG2 4.21Å; W546-V807 HydrophobicContact CG-CG1 3.83Å; I736-V807 HydrophobicContact CD1-CG1 4.14Å; I736-V807 HydrophobicContact CG2-CB 4.43Å; I736-V807 HydrophobicContact CG2-CG1 4.05Å; A803-V807 PolarHBondContact O-N 3.08Å; V804-V807 PolarHBondContact O-N 3.01Å; N805-V807 VanDerWaalsContact C-N 3.3Å; N805-V807 PolarHBondContact O-N 3.46Å; V807-S809 PolarHBondContact O-N 3.35Å; V807-E810 PolarHBondContact O-N 2.98Å; V807-I811 HydrophobicContact CG1-CD1 4.08Å; V807-I811 WeakPolarHBondContact O-CG1 3.5Å; V807-I811 PolarHBondContact O-N 3.22Å
808Y95.7Very high92.8Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-68.3-22.5-178.456.9-117.5000112.7T577 M581 T733 I736 T737 V804 N805 L812T577-Y808 HydrophobicContact CG2-CE1 4.44Å; T577-Y808 HydrophobicContact CG2-CE2 4.32Å; T577-Y808 WeakPolarHBondContact CG2-OH 3.35Å; M581-Y808 HydrophobicContact CE-CD2 3.89Å; M581-Y808 WeakPolarHBondContact CE-O 3.48Å; M581-Y808 HydrophobicContact CG-CD2 3.67Å; M581-Y808 HydrophobicContact CG-CE2 3.45Å; M581-Y808 VanDerWaalsContact CG-CE2 3.45Å; M581-Y808 HydrophobicContact SD-CD2 3.97Å; M581-Y808 HydrophobicContact SD-CE2 4.15Å; T733-Y808 HydrophobicContact CG2-CD1 3.9Å; T733-Y808 HydrophobicContact CG2-CD2 4.29Å; T733-Y808 HydrophobicContact CG2-CG 3.72Å; I736-Y808 HydrophobicContact CG2-CD1 4.44Å; T737-Y808 HydrophobicContact CG2-CE1 4.46Å; V804-Y808 HydrophobicContact CG1-CD1 4.45Å; V804-Y808 HydrophobicContact CG1-CE1 4.15Å; V804-Y808 WeakPolarHBondContact O-CD1 3.49Å; V804-Y808 WeakPolarHBondContact O-CE1 3.42Å; N805-Y808 WeakPolarHBondContact CA-OH 3.44Å; N805-Y808 HydrophobicContact CB-CE1 4.42Å; N805-Y808 HydrophobicContact CB-CE2 4.06Å; N805-Y808 VanDerWaalsContact CB-OH 3.25Å; N805-Y808 WeakPolarHBondContact CB-OH 3.33Å; N805-Y808 WeakPolarHBondContact O-CD2 3.39Å; N805-Y808 WeakPolarHBondContact O-CE2 3.26Å; N805-Y808 WeakPolarHBondContact OD1-CE2 3.22Å; N805-Y808 VanDerWaalsContact OD1-CZ 3.29Å; N805-Y808 PolarHBondContact OD1-OH 3.32Å; Y808-L812 PolarHBondContact O-N 3.15Å
809S96.8Very high91.8Very high1 Ų134.3 Ų34.31%0.00719%0.189CC..Hα-helixtrans-74.3-42.3175-540000111.4N805 Q806 V807 I811 L812 L813N805-S809 PolarHBondContact ND2-OG 2.73Å; N805-S809 VanDerWaalsContact O-CB 3.22Å; N805-S809 WeakPolarHBondContact O-CB 3.25Å; N805-S809 PolarHBondContact O-N 3.07Å; N805-S809 PolarHBondContact O-OG 3.34Å; Q806-S809 PolarHBondContact O-N 2.94Å; V807-S809 PolarHBondContact O-N 3.35Å; S809-I811 VanDerWaalsContact C-N 3.31Å; S809-I811 PolarHBondContact O-N 3.22Å; S809-L812 WeakPolarHBondContact O-CB 3.47Å; S809-L812 PolarHBondContact O-N 3.48Å; S809-L813 WeakPolarHBondContact O-CG 3.49Å; S809-L813 PolarHBondContact O-N 2.86Å
810E95.9Very high89.7Confident33 Ų3335.7 Ų35.715%0.15421%0.207CC..Hα-helixtrans-64.2-37.4173.9-74-68.7169.100111.3F584 R588 Q806 V807 L812 L813 S814F584-E810 HydrophobicContact CE1-CG 3.94Å; F584-E810 HydrophobicContact CZ-CG 3.88Å; F584-E810 WeakPolarHBondContact CZ-OE1 3.42Å; R588-E810 IonicContact CZ-OE1 2.93Å; R588-E810 IonicContact NE-OE1 2.68Å; R588-E810 PolarHBondContact NE-OE1 3.03Å; R588-E810 IonicContact NH2-OE1 3.13Å; R588-E810 PolarHBondContact NH2-OE1 2.98Å; R588-E810 IonicContact NH2-OE2 3.09Å; Q806-E810 HydrophobicContact CG-CG 4.3Å; Q806-E810 WeakPolarHBondContact O-CB 3.49Å; Q806-E810 WeakPolarHBondContact O-CG 3.25Å; Q806-E810 PolarHBondContact O-N 3.16Å; V807-E810 PolarHBondContact O-N 2.98Å; E810-L812 PolarHBondContact O-N 3.26Å; E810-L813 PolarHBondContact O-N 2.91Å; E810-S814 PolarHBondContact O-N 2.91Å
811I96.4Very high87.1Confident7 Ų750.2 Ų50.24%0.03626%0.26CS..Hα-helixtrans-58.7-49.1170.9-65.5170.7000109.9H553 V731 I736 V807 S809 L813 S814 R815H553-I811 HydrophobicContact CB-CG1 4.22Å; V731-I811 HydrophobicContact CG1-CB 4.27Å; V731-I811 HydrophobicContact CG1-CG2 3.9Å; V731-I811 HydrophobicContact CG2-CG2 4.19Å; I736-I811 HydrophobicContact CD1-CD1 3.72Å; V807-I811 HydrophobicContact CG1-CD1 4.08Å; V807-I811 WeakPolarHBondContact O-CG1 3.5Å; V807-I811 PolarHBondContact O-N 3.22Å; S809-I811 VanDerWaalsContact C-N 3.31Å; S809-I811 PolarHBondContact O-N 3.22Å; I811-L813 PolarHBondContact O-N 2.65Å; I811-S814 WeakPolarHBondContact O-CB 3.38Å; I811-S814 PolarHBondContact O-N 3.4Å; I811-S814 PolarHBondContact O-OG 2.93Å; I811-R815 WeakPolarHBondContact O-CG 3.48Å; I811-R815 PolarHBondContact O-N 3.09Å; I811-R815 VanDerWaalsContact O-N 3.16Å
812L96.7Very high87Confident1 Ų146.1 Ų46.11%0.00525%0.248CC..Hα-helixtrans-54.5-50.1174.6172.267.5000111.5F572 M581 V656 V686 V731 Y808 S809 E810 S814 R815 L816F572-L812 HydrophobicContact CE1-CD2 4.18Å; F572-L812 HydrophobicContact CZ-CD2 4.32Å; M581-L812 HydrophobicContact CB-CD2 4.18Å; M581-L812 HydrophobicContact CE-CB 3.52Å; M581-L812 HydrophobicContact CE-CD2 3.5Å; M581-L812 VanDerWaalsContact CE-CD2 3.5Å; M581-L812 HydrophobicContact CE-CG 4.01Å; M581-L812 HydrophobicContact SD-CD2 4.46Å; V656-L812 HydrophobicContact CG2-CD1 4.43Å; V686-L812 HydrophobicContact CB-CD1 4.12Å; V686-L812 HydrophobicContact CG1-CD1 3.64Å; V686-L812 HydrophobicContact CG2-CD1 4.3Å; V731-L812 HydrophobicContact CG2-CB 4.4Å; Y808-L812 PolarHBondContact O-N 3.15Å; S809-L812 WeakPolarHBondContact O-CB 3.47Å; S809-L812 PolarHBondContact O-N 3.48Å; E810-L812 PolarHBondContact O-N 3.26Å; L812-S814 VanDerWaalsContact C-N 3.28Å; L812-S814 PolarHBondContact O-N 3.45Å; L812-R815 WeakPolarHBondContact O-CA 3.29Å; L812-R815 PolarHBondContact O-N 3.38Å; L812-L816 HydrophobicContact CD1-CD1 4.08Å; L812-L816 HydrophobicContact CD1-CD2 4.16Å; L812-L816 HydrophobicContact CD1-CG 3.93Å; L812-L816 HydrophobicContact CD2-CD1 4.4Å; L812-L816 HydrophobicContact CG-CD1 3.95Å; L812-L816 HydrophobicContact CG-CG 4.17Å; L812-L816 WeakPolarHBondContact O-CG 3.28Å; L812-L816 PolarHBondContact O-N 3.15Å
813L96.3Very high86.8Confident1 Ų147.4 Ų47.41%0.00525%0.25CS..Hα-helixtrans-57.4-42.6179-62.7-171000111.6V556 L561 F584 L585 R588 S809 E810 I811 R815 L816 C817V556-L813 HydrophobicContact CG2-CB 4.22Å; L561-L813 HydrophobicContact CD1-CD1 4.47Å; L561-L813 HydrophobicContact CD1-CD2 4.23Å; L561-L813 HydrophobicContact CD2-CD1 3.98Å; F584-L813 HydrophobicContact CD1-CD1 4.29Å; F584-L813 HydrophobicContact CE1-CD1 3.95Å; L585-L813 HydrophobicContact CB-CD2 4.14Å; L585-L813 HydrophobicContact CD1-CD2 3.38Å; L585-L813 HydrophobicContact CG-CD2 4.32Å; R588-L813 HydrophobicContact CB-CD1 4.14Å; R588-L813 HydrophobicContact CG-CD1 4.16Å; S809-L813 WeakPolarHBondContact O-CG 3.49Å; S809-L813 PolarHBondContact O-N 2.86Å; E810-L813 PolarHBondContact O-N 2.91Å; I811-L813 PolarHBondContact O-N 2.65Å; L813-R815 PolarHBondContact O-N 2.76Å; L813-L816 PolarHBondContact O-N 3.3Å; L813-C817 WeakPolarHBondContact O-CB 3.13Å; L813-C817 PolarHBondContact O-N 2.91Å
814S94.6Very high86.5Confident1 Ų147.3 Ų47.31%0.00724%0.242CC..Hα-helixtrans-63.1-22.3176.783.60000113.4H553 E810 I811 L812H553-S814 PolarHBondContact ND1-OG 3.21Å; E810-S814 PolarHBondContact O-N 2.91Å; I811-S814 WeakPolarHBondContact O-CB 3.38Å; I811-S814 PolarHBondContact O-N 3.4Å; I811-S814 PolarHBondContact O-OG 2.93Å; L812-S814 VanDerWaalsContact C-N 3.28Å; L812-S814 PolarHBondContact O-N 3.45Å
815R93.9Very high86Confident29 Ų2949.9 Ų49.911%0.10926%0.255CS..Hα-helixtrans-92.4-32177.4-62.4-5072.3158.4-6.7113C517 E729 I811 L812 L813 C817C517-R815 PolarHBondContact O-NH1 2.99Å; E729-R815 HydrophobicContact CG-CB 3.98Å; E729-R815 HydrophobicContact CG-CG 3.99Å; E729-R815 WeakPolarHBondContact OE2-CD 3.43Å; I811-R815 WeakPolarHBondContact O-CG 3.48Å; I811-R815 PolarHBondContact O-N 3.09Å; I811-R815 VanDerWaalsContact O-N 3.16Å; L812-R815 WeakPolarHBondContact O-CA 3.29Å; L812-R815 PolarHBondContact O-N 3.38Å; L813-R815 PolarHBondContact O-N 2.76Å; R815-C817 VanDerWaalsContact C-N 3.31Å
816L94.3Very high85.5Confident3 Ų353.1 Ų53.12%0.01627%0.271CS..Hα-helixtrans-69-35.8171.1-63.3-178.1000111.4R568 V654 L684 V686 L812 L813R568-L816 PolarHBondContact NH1-O 3.33Å; V654-L816 HydrophobicContact CG1-CD2 3.54Å; V654-L816 HydrophobicContact CG2-CD2 4.47Å; L684-L816 HydrophobicContact CD2-CD2 4.03Å; V686-L816 HydrophobicContact CG2-CD2 3.83Å; L812-L816 HydrophobicContact CD1-CD1 4.08Å; L812-L816 HydrophobicContact CD1-CD2 4.16Å; L812-L816 HydrophobicContact CD1-CG 3.93Å; L812-L816 HydrophobicContact CD2-CD1 4.4Å; L812-L816 HydrophobicContact CG-CD1 3.95Å; L812-L816 HydrophobicContact CG-CG 4.17Å; L812-L816 WeakPolarHBondContact O-CG 3.28Å; L812-L816 PolarHBondContact O-N 3.15Å; L813-L816 PolarHBondContact O-N 3.3Å
817C92.4Very high84.8Confident9 Ų949.7 Ų49.76%0.06126%0.257CS..SBendtrans-128.269.9-174.9-59.10000110.8V556 C564 L813 R815 G819V556-C817 HydrophobicContact CG1-CB 4.16Å; V556-C817 HydrophobicContact CG2-CB 4.41Å; C564-C817 HydrophobicContact CB-CB 3.66Å; C564-C817 WeakPolarHBondContact CB-SG 3.18Å; C564-C817 WeakPolarHBondContact SG-CA 3.37Å; C564-C817 WeakPolarHBondContact SG-CB 3.25Å; C564-C817 CovalentContact SG-SG 2.02Å; C564-C817 PolarHBondContact SG-SG 2.99Å; L813-C817 WeakPolarHBondContact O-CB 3.13Å; L813-C817 PolarHBondContact O-N 2.91Å; R815-C817 VanDerWaalsContact C-N 3.31Å; C817-G819 PolarHBondContact O-N 3.39Å
818P80Confident84.1Confident85 Ų8551.1 Ų51.155%0.55226%0.262SS*.PPolyproline II helixtrans-59.5127.217226.6-32000108.2N820P818-N820 PolarHBondContact O-N 3.33Å
819G65Low83.2Confident60 Ų6055.1 Ų55.162%0.61928%0.283SS*.PPolyproline II helixtrans-55.8139.7173.900000109.5C817 R821C817-G819 PolarHBondContact O-N 3.39Å; G819-R821 PolarHBondContact O-N 2.91Å; G819-R821 VanDerWaalsContact O-N 3.09Å
820N42.7Very low82Confident170 Ų17059.6 Ų59.691%0.90931%0.305SS*.PPolyproline II helixtrans-50.3123.4170.1-80.2-8.7000107.7P818P818-N820 PolarHBondContact O-N 3.33Å
821R36.2Very low80.8Confident316 Ų31662 Ų62100%1.19232%0.319SS*.  trans-600168.3-81.4-176.5176.2179.9-2110.2G819G819-R821 PolarHBondContact O-N 2.91Å; G819-R821 VanDerWaalsContact O-N 3.09Å

Retrieved 821 of 821 residues in 229.5 ms (Link to these results)

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