A0A060YD03_ONCMY Loading...

AP-3 complex subunit mu-2

AlphaFold DB (A0A1S3NNT4), UniProt , Accession A0A060YD03, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536244, Length 418 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.1Confident94.3Very high33 Ų3321.5 Ų21.516%0.16314%0.14CC..  0-55.80144.7-173.5-48.400109.8V74 F78 G120 F121M1-V74 HydrophobicContact CB-CG1 4.34Å; M1-V74 HydrophobicContact CE-CB 4.33Å; M1-V74 HydrophobicContact CE-CG1 3.92Å; M1-V74 HydrophobicContact CG-CB 4.29Å; M1-V74 HydrophobicContact CG-CG1 3.81Å; M1-V74 HydrophobicContact CG-CG2 4.08Å; M1-V74 HydrophobicContact SD-CB 4.38Å; M1-V74 HydrophobicContact SD-CG1 4.26Å; M1-V74 HydrophobicContact SD-CG2 4.46Å; M1-F78 HydrophobicContact CE-CD1 4.45Å; M1-F78 HydrophobicContact CE-CE1 4.27Å; M1-F78 HydrophobicContact SD-CD1 3.37Å; M1-F78 WeakPolarHBondContact SD-CD1 3.47Å; M1-F78 HydrophobicContact SD-CE1 3.2Å; M1-F78 WeakPolarHBondContact SD-CE1 3.49Å; M1-F78 HydrophobicContact SD-CG 4.48Å; M1-F78 HydrophobicContact SD-CZ 4.21Å; M1-G120 CarbonylContact C-O 3.57Å; M1-G120 WeakPolarHBondContact CA-O 3.47Å; M1-G120 WeakPolarHBondContact CB-O 3.27Å; M1-G120 PolarHBondContact N-O 3.04Å; M1-F121 HydrophobicContact CB-CD1 4.11Å; M1-F121 HydrophobicContact CB-CE1 3.89Å; M1-F121 HydrophobicContact CB-CZ 4.23Å; M1-F121 HydrophobicContact CE-CD1 4.17Å; M1-F121 HydrophobicContact CE-CE1 3.97Å
2I94.9Very high93.8Very high1 Ų121.4 Ų21.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-84.6129.8166.8-62.1164.3000109.4W20 A68 I70 V79 F82 L117 G120I2-W20 HydrophobicContact CG2-CE3 4.42Å; I2-W20 HydrophobicContact CG2-CZ3 4.19Å; I2-A68 HydrophobicContact CG2-CB 4.28Å; I2-I70 HydrophobicContact CG1-CG2 4.22Å; I2-V79 HydrophobicContact CD1-CG1 4.06Å; I2-V79 HydrophobicContact CD1-CG2 4.38Å; I2-V79 HydrophobicContact CG1-CG1 4.19Å; I2-V79 HydrophobicContact CG1-CG2 4.2Å; I2-F82 HydrophobicContact CD1-CD1 3.53Å; I2-F82 HydrophobicContact CD1-CE1 3.94Å; I2-F82 HydrophobicContact CD1-CG 4.21Å; I2-L117 HydrophobicContact CB-CD2 4.05Å; I2-L117 HydrophobicContact CD1-CD1 4.07Å; I2-L117 HydrophobicContact CG2-CD2 4.09Å; I2-G120 PolarHBondContact N-O 2.83Å; I2-G120 WeakPolarHBondContact O-CA 3.44Å
3H95.6Very high93.8Very high11 Ų1127 Ų275%0.05117%0.173CC..EExtended strand (participates in β ladder)trans-94.2-45.1-179.2-79.4-138.7000111.4W20 K21 V24 V69 Q71H3-W20 PolarHBondContact O-N 2.8Å; H3-K21 VanDerWaalsContact NE2-CD 3.29Å; H3-K21 WeakPolarHBondContact NE2-CD 3.49Å; H3-V24 HydrophobicContact CB-CG2 4.24Å; H3-V69 PolarHBondContact N-O 3.31Å; H3-Q71 PolarHBondContact CE1-OE1 3.38Å
4S97.1Very high94Very high0 Ų027.1 Ų27.10%017%0.171CC..EExtended strand (participates in β ladder)trans-145.6155.4-174.7-52.50000111.2K18 H19 V24 A68 V69S4-K18 CarbonylContact C-O 3.57Å; S4-K18 WeakPolarHBondContact CA-O 3.42Å; S4-H19 WeakPolarHBondContact CB-ND1 3.46Å; S4-H19 PolarHBondContact OG-ND1 3.26Å; S4-V24 WeakPolarHBondContact OG-CB 3.2Å; S4-V24 WeakPolarHBondContact OG-CG2 3.31Å; S4-A68 CarbonylContact O-C 3.47Å; S4-A68 WeakPolarHBondContact O-CA 3.48Å; S4-V69 PolarHBondContact O-N 3.15Å
5L97.9Very high94.2Very high1 Ų127.6 Ų27.61%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-128.4127.9171173.362.8000108.1L7 E17 K18 W20 F66 V67 L83 L113L5-L7 HydrophobicContact CD1-CD1 4.12Å; L5-L7 HydrophobicContact CD2-CD1 3.93Å; L5-L7 HydrophobicContact CG-CD1 3.72Å; L5-E17 CarbonylContact O-C 3.54Å; L5-E17 VanDerWaalsContact O-CA 3.29Å; L5-E17 WeakPolarHBondContact O-CA 3.36Å; L5-K18 PolarHBondContact N-O 3.36Å; L5-K18 PolarHBondContact O-N 3.05Å; L5-W20 HydrophobicContact CB-CH2 3.52Å; L5-W20 HydrophobicContact CB-CZ3 3.47Å; L5-W20 VanDerWaalsContact CB-CZ3 3.47Å; L5-W20 HydrophobicContact CD2-CH2 4.06Å; L5-W20 HydrophobicContact CG-CH2 4.45Å; L5-F66 HydrophobicContact CD1-CB 4.23Å; L5-V67 WeakPolarHBondContact CA-O 3.38Å; L5-L83 HydrophobicContact CD1-CD2 3.58Å; L5-L113 HydrophobicContact CD2-CD1 4.34Å; L5-L113 HydrophobicContact CD2-CD2 3.83Å
6F98.4Very high94.5Very high0 Ų026.4 Ų26.40%016%0.162CC..EExtended strand (participates in β ladder)trans-115.3136.3173-60.1-84.3000109.5I14 E17 H19 R26 V28 V67 V69F6-I14 HydrophobicContact CB-CG2 4.36Å; F6-I14 HydrophobicContact CD1-CD1 4.32Å; F6-I14 HydrophobicContact CD1-CG2 3.88Å; F6-E17 HydrophobicContact CD1-CB 3.5Å; F6-E17 HydrophobicContact CE1-CB 3.69Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.32Å; F6-H19 AromaticContact CZ-CE1 3.82Å; F6-R26 HydrophobicContact CE1-CG 4.14Å; F6-V28 HydrophobicContact CE2-CG1 4.05Å; F6-V28 HydrophobicContact CZ-CG1 4.48Å; F6-V67 HydrophobicContact CB-CB 4.42Å; F6-V67 PolarHBondContact N-O 2.86Å; F6-V67 PolarHBondContact O-N 2.62Å; F6-V69 HydrophobicContact CD2-CG2 3.84Å; F6-V69 HydrophobicContact CE2-CG2 3.54Å
7L98.3Very high94.6Very high0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-105.8123.5171.1-84.559.9000109.1L5 I14 F15 L16 I64 Y65 F66 F90 I102L5-L7 HydrophobicContact CD1-CD1 4.12Å; L5-L7 HydrophobicContact CD2-CD1 3.93Å; L5-L7 HydrophobicContact CG-CD1 3.72Å; L7-I14 WeakPolarHBondContact O-CA 3.31Å; L7-F15 HydrophobicContact CB-CD1 4.38Å; L7-F15 HydrophobicContact CB-CE1 3.78Å; L7-F15 HydrophobicContact CB-CE2 4.17Å; L7-F15 HydrophobicContact CB-CZ 3.67Å; L7-F15 HydrophobicContact CD2-CE2 4.13Å; L7-F15 HydrophobicContact CD2-CZ 3.89Å; L7-F15 HydrophobicContact CG-CZ 4.34Å; L7-F15 WeakPolarHBondContact O-CD1 3.25Å; L7-F15 PolarHBondContact O-N 2.7Å; L7-L16 HydrophobicContact CB-CB 4.21Å; L7-L16 HydrophobicContact CD1-CD2 4.12Å; L7-L16 HydrophobicContact CD2-CB 4.42Å; L7-L16 HydrophobicContact CD2-CD2 4.37Å; L7-L16 PolarHBondContact N-O 3.18Å; L7-I64 HydrophobicContact CB-CG2 4.34Å; L7-I64 HydrophobicContact CG-CG2 4.35Å; L7-Y65 WeakPolarHBondContact CA-O 3.37Å; L7-F66 HydrophobicContact CD1-CD1 3.73Å; L7-F66 HydrophobicContact CD1-CE1 3.98Å; L7-F66 HydrophobicContact CD1-CG 4.48Å; L7-F66 HydrophobicContact CD2-CD1 4.38Å; L7-F66 HydrophobicContact CD2-CE1 3.8Å; L7-F66 HydrophobicContact CD2-CZ 4.14Å; L7-F66 HydrophobicContact CG-CD1 3.89Å; L7-F66 HydrophobicContact CG-CE1 3.81Å; L7-F66 HydrophobicContact CG-CG 4.44Å; L7-F66 HydrophobicContact CG-CZ 4.27Å; L7-F90 HydrophobicContact CD2-CE2 4.34Å; L7-I102 HydrophobicContact CD2-CD1 3.87Å; L7-I102 HydrophobicContact CD2-CG2 4.25Å
8V97.6Very high94.7Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-117.7128.2-175-1790000109.3D13 I14 F32 F33 I64 Y65 V67V8-D13 WeakPolarHBondContact CA-O 3.44Å; V8-I14 HydrophobicContact CG2-CG1 4Å; V8-F32 HydrophobicContact CG1-CE1 4.47Å; V8-F33 HydrophobicContact CG1-CE1 3.71Å; V8-F33 HydrophobicContact CG1-CZ 4.34Å; V8-F33 HydrophobicContact CG2-CE1 4.39Å; V8-F33 HydrophobicContact CG2-CZ 4.44Å; V8-I64 WeakPolarHBondContact O-CA 3.25Å; V8-Y65 PolarHBondContact N-O 3.01Å; V8-Y65 PolarHBondContact O-N 2.83Å; V8-V67 HydrophobicContact CG2-CG2 4.27Å
9N93.8Very high94.8Very high9 Ų928.3 Ų28.35%0.04816%0.164CC..  trans-80.2178177.871.812.6000112S11 G12 D13 F15 E99N9-S11 PolarHBondContact O-N 2.86Å; N9-S11 WeakPolarHBondContact OD1-CA 3.47Å; N9-S11 WeakPolarHBondContact OD1-CB 3.48Å; N9-S11 PolarHBondContact OD1-N 3.2Å; N9-G12 PolarHBondContact O-N 3.16Å; N9-G12 VanDerWaalsContact O-N 3.16Å; N9-G12 PolarHBondContact OD1-N 3.25Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; N9-D13 PolarHBondContact N-O 3.37Å; N9-D13 PolarHBondContact ND2-OD2 3.02Å; N9-D13 PolarHBondContact OD1-N 3.36Å; N9-F15 HydrophobicContact CB-CD1 4.04Å; N9-F15 HydrophobicContact CB-CE1 4.26Å; N9-E99 VanDerWaalsContact CB-OE2 3.25Å; N9-E99 WeakPolarHBondContact CB-OE2 3.49Å; N9-E99 PolarHBondContact ND2-OE2 3.05Å
10S87.8Confident94.8Very high90 Ų9028.2 Ų28.263%0.62916%0.161SC*.THydrogen-bonded Turntrans-65.3-17.3179.155.50000114.5
11S88.9Confident94.5Very high92 Ų9231.7 Ų31.764%0.64317%0.174SC*.THydrogen-bonded Turntrans-87.6-6.7178.6-52.20000112.8N9N9-S11 PolarHBondContact O-N 2.86Å; N9-S11 WeakPolarHBondContact OD1-CA 3.47Å; N9-S11 WeakPolarHBondContact OD1-CB 3.48Å; N9-S11 PolarHBondContact OD1-N 3.2Å
12G87.8Confident94.5Very high20 Ų2033 Ų3321%0.20619%0.187CC..SBendtrans89.29.4-175.300000114.3N9 F33N9-G12 PolarHBondContact O-N 3.16Å; N9-G12 VanDerWaalsContact O-N 3.16Å; N9-G12 PolarHBondContact OD1-N 3.25Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; G12-F33 WeakPolarHBondContact O-CE1 3.42Å; G12-F33 VanDerWaalsContact O-CZ 3.26Å; G12-F33 WeakPolarHBondContact O-CZ 3.25Å
13D94.1Very high94.4Very high94 Ų9438.9 Ų38.950%0.50322%0.222SC..  trans-86.8130.9178.9-53.7-53.9000111.6V8 N9 F15V8-D13 WeakPolarHBondContact CA-O 3.44Å; N9-D13 PolarHBondContact N-O 3.37Å; N9-D13 PolarHBondContact ND2-OD2 3.02Å; N9-D13 PolarHBondContact OD1-N 3.36Å; D13-F15 PolarHBondContact O-N 3.5Å
14I97.5Very high94.4Very high28 Ų2838.8 Ų38.814%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-76.3107.9166.3-59.3169000108.1F6 L7 V8 R26 C29 F33F6-I14 HydrophobicContact CB-CG2 4.36Å; F6-I14 HydrophobicContact CD1-CD1 4.32Å; F6-I14 HydrophobicContact CD1-CG2 3.88Å; L7-I14 WeakPolarHBondContact O-CA 3.31Å; V8-I14 HydrophobicContact CG2-CG1 4Å; I14-R26 HydrophobicContact CD1-CB 4.08Å; I14-R26 HydrophobicContact CD1-CG 4.1Å; I14-C29 HydrophobicContact CD1-CB 4.01Å; I14-F33 HydrophobicContact CD1-CE2 4.38Å; I14-F33 HydrophobicContact CD1-CZ 4.23Å; I14-F33 HydrophobicContact CG1-CZ 3.99Å
15F97.1Very high94.3Very high35 Ų3542.2 Ų42.215%0.15425%0.247CC..EExtended strand (participates in β ladder)trans-103.6-13.2-178.172.2-93.7000114.2L7 N9 D13 I64 E99 I102 K103L7-F15 HydrophobicContact CB-CD1 4.38Å; L7-F15 HydrophobicContact CB-CE1 3.78Å; L7-F15 HydrophobicContact CB-CE2 4.17Å; L7-F15 HydrophobicContact CB-CZ 3.67Å; L7-F15 HydrophobicContact CD2-CE2 4.13Å; L7-F15 HydrophobicContact CD2-CZ 3.89Å; L7-F15 HydrophobicContact CG-CZ 4.34Å; L7-F15 WeakPolarHBondContact O-CD1 3.25Å; L7-F15 PolarHBondContact O-N 2.7Å; N9-F15 HydrophobicContact CB-CD1 4.04Å; N9-F15 HydrophobicContact CB-CE1 4.26Å; D13-F15 PolarHBondContact O-N 3.5Å; F15-I64 HydrophobicContact CE1-CG2 3.98Å; F15-I64 HydrophobicContact CZ-CD1 4.34Å; F15-I64 HydrophobicContact CZ-CG2 4.1Å; F15-E99 HydrophobicContact CD1-CG 4.08Å; F15-E99 HydrophobicContact CD2-CG 3.94Å; F15-E99 HydrophobicContact CE1-CB 4.5Å; F15-E99 HydrophobicContact CE1-CG 4.13Å; F15-E99 HydrophobicContact CE2-CG 4Å; F15-E99 HydrophobicContact CG-CG 3.97Å; F15-E99 HydrophobicContact CZ-CB 4.31Å; F15-E99 HydrophobicContact CZ-CG 4.08Å; F15-I102 HydrophobicContact CE2-CB 4.22Å; F15-I102 HydrophobicContact CE2-CD1 4.45Å; F15-I102 HydrophobicContact CE2-CG2 3.86Å; F15-I102 HydrophobicContact CZ-CD1 4.3Å; F15-K103 HydrophobicContact CD2-CG 4.31Å
16L97.8Very high94.2Very high8 Ų848 Ų484%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-148.6141.8173.6-175.6150.3000109.9L7 I102 V106 V109 L113L7-L16 HydrophobicContact CB-CB 4.21Å; L7-L16 HydrophobicContact CD1-CD2 4.12Å; L7-L16 HydrophobicContact CD2-CB 4.42Å; L7-L16 HydrophobicContact CD2-CD2 4.37Å; L7-L16 PolarHBondContact N-O 3.18Å; L16-I102 HydrophobicContact CD1-CG2 3.81Å; L16-V106 HydrophobicContact CD1-CG2 4.28Å; L16-V109 HydrophobicContact CD1-CG1 3.65Å; L16-L113 HydrophobicContact CD2-CD1 4.18Å
17E97.1Very high94.1Very high47 Ų4751 Ų5122%0.2229%0.289CS..EExtended strand (participates in β ladder)trans-140.5141.5174.170.9-162.2162.200110.9L5 F6 R26 Y110L5-E17 CarbonylContact O-C 3.54Å; L5-E17 VanDerWaalsContact O-CA 3.29Å; L5-E17 WeakPolarHBondContact O-CA 3.36Å; F6-E17 HydrophobicContact CD1-CB 3.5Å; F6-E17 HydrophobicContact CE1-CB 3.69Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.32Å; E17-R26 VanDerWaalsContact CD-NH2 3.28Å; E17-R26 IonicContact OE1-CZ 2.78Å; E17-R26 IonicContact OE1-NE 3.51Å; E17-R26 PolarHBondContact OE1-NE 3.47Å; E17-R26 IonicContact OE1-NH2 2.63Å; E17-R26 PolarHBondContact OE1-NH2 2.89Å; E17-R26 WeakPolarHBondContact OE2-CG 3.47Å; E17-R26 IonicContact OE2-CZ 3.41Å; E17-R26 IonicContact OE2-NE 3.46Å; E17-R26 PolarHBondContact OE2-NE 3.32Å; E17-R26 IonicContact OE2-NH2 3.35Å; E17-R26 PolarHBondContact OE2-NH2 2.92Å; E17-Y110 WeakPolarHBondContact O-CE1 3.38Å; E17-Y110 PolarHBondContact O-OH 2.89Å
18K96.6Very high94Very high26 Ų2651.5 Ų51.511%0.11329%0.292CS..EExtended strand (participates in β ladder)trans-133134.3172.8178.456.4168.570.30109.6S4 L5 W20 Y110 L113 E114S4-K18 CarbonylContact C-O 3.57Å; S4-K18 WeakPolarHBondContact CA-O 3.42Å; L5-K18 PolarHBondContact N-O 3.36Å; L5-K18 PolarHBondContact O-N 3.05Å; K18-W20 HydrophobicContact CB-CH2 4.03Å; K18-W20 HydrophobicContact CB-CZ2 4.26Å; K18-W20 HydrophobicContact CB-CZ3 4.25Å; K18-W20 HydrophobicContact CG-CD2 3.94Å; K18-W20 HydrophobicContact CG-CE3 4.16Å; K18-W20 HydrophobicContact CG-CH2 3.82Å; K18-W20 HydrophobicContact CG-CZ2 3.58Å; K18-W20 HydrophobicContact CG-CZ3 4.11Å; K18-W20 VanDerWaalsContact NZ-CD1 3.32Å; K18-Y110 HydrophobicContact CB-CE1 4.17Å; K18-Y110 HydrophobicContact CD-CD1 3.91Å; K18-Y110 HydrophobicContact CD-CE1 4.03Å; K18-L113 HydrophobicContact CB-CD1 4.11Å; K18-L113 HydrophobicContact CG-CB 4.42Å; K18-L113 HydrophobicContact CG-CD1 4.47Å; K18-E114 WeakPolarHBondContact CE-OE2 3.37Å; K18-E114 IonicContact NZ-OE2 3.44Å; K18-E114 PolarHBondContact NZ-OE2 3.23Å
19H96.3Very high93.9Very high43 Ų4351.5 Ų51.520%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-115.1136175.2-51.9-64.9000109.7S4 F6 V24S4-H19 WeakPolarHBondContact CB-ND1 3.46Å; S4-H19 PolarHBondContact OG-ND1 3.26Å; F6-H19 AromaticContact CZ-CE1 3.82Å; H19-V24 PolarHBondContact CE1-O 3.4Å
20W94.6Very high94.1Very high26 Ų2655.5 Ų55.510%0.09831%0.314CS..SBendtrans-114.7-12.5178.7-68-94.3000114.2I2 H3 L5 K18 L113 L117I2-W20 HydrophobicContact CG2-CE3 4.42Å; I2-W20 HydrophobicContact CG2-CZ3 4.19Å; H3-W20 PolarHBondContact O-N 2.8Å; L5-W20 HydrophobicContact CB-CH2 3.52Å; L5-W20 HydrophobicContact CB-CZ3 3.47Å; L5-W20 VanDerWaalsContact CB-CZ3 3.47Å; L5-W20 HydrophobicContact CD2-CH2 4.06Å; L5-W20 HydrophobicContact CG-CH2 4.45Å; K18-W20 HydrophobicContact CB-CH2 4.03Å; K18-W20 HydrophobicContact CB-CZ2 4.26Å; K18-W20 HydrophobicContact CB-CZ3 4.25Å; K18-W20 HydrophobicContact CG-CD2 3.94Å; K18-W20 HydrophobicContact CG-CE3 4.16Å; K18-W20 HydrophobicContact CG-CH2 3.82Å; K18-W20 HydrophobicContact CG-CZ2 3.58Å; K18-W20 HydrophobicContact CG-CZ3 4.11Å; K18-W20 VanDerWaalsContact NZ-CD1 3.32Å; W20-L113 HydrophobicContact CZ2-CB 3.93Å; W20-L113 HydrophobicContact CZ2-CD2 4.35Å; W20-L113 WeakPolarHBondContact CZ2-O 3.4Å; W20-L113 PolarHBondContact NE1-O 3.02Å; W20-L117 HydrophobicContact CD2-CD2 3.39Å; W20-L117 HydrophobicContact CD2-CG 4.47Å; W20-L117 VanDerWaalsContact CE2-CD2 3.42Å; W20-L117 HydrophobicContact CE3-CD2 3.62Å; W20-L117 HydrophobicContact CG-CD2 3.83Å; W20-L117 HydrophobicContact CH2-CD2 3.9Å; W20-L117 HydrophobicContact CZ2-CB 4.1Å; W20-L117 HydrophobicContact CZ2-CD2 3.67Å; W20-L117 HydrophobicContact CZ3-CD2 3.86Å; W20-L117 PolarHBondContact NE1-O 2.95Å; W20-L117 VanDerWaalsContact NE1-O 3.12Å
21K88.6Confident94.5Very high101 Ų10155.7 Ų55.744%0.43930%0.301SS..SBendtrans-122.5-72179.9-81.5-172.3154.8-158.90112H3 N119H3-K21 VanDerWaalsContact NE2-CD 3.29Å; H3-K21 WeakPolarHBondContact NE2-CD 3.49Å; K21-N119 WeakPolarHBondContact CE-O 3.33Å; K21-N119 WeakPolarHBondContact CE-OD1 3.42Å; K21-N119 WeakPolarHBondContact CG-OD1 3.39Å
22S87.4Confident94.9Very high60 Ų6051.3 Ų51.342%0.4227%0.27SS..SBendtrans-131150.7177.458.60000108.3V24S22-V24 PolarHBondContact O-N 2.84Å
23V92.9Very high95.4Very high125 Ų12552.3 Ų52.376%0.75827%0.269SS*.  trans-60.3124.4171.4179.90000108.2
24V94.6Very high95.4Very high9 Ų952 Ų526%0.05527%0.265CS..  trans-105.7128174.9178.10000107.7H3 S4 H19 S22 V28 V69H3-V24 HydrophobicContact CB-CG2 4.24Å; S4-V24 WeakPolarHBondContact OG-CB 3.2Å; S4-V24 WeakPolarHBondContact OG-CG2 3.31Å; H19-V24 PolarHBondContact CE1-O 3.4Å; S22-V24 PolarHBondContact O-N 2.84Å; V24-V28 HydrophobicContact CG1-CB 4.1Å; V24-V28 HydrophobicContact CG1-CG1 3.71Å; V24-V69 HydrophobicContact CG1-CG1 4.29Å
25S95.4Very high95.3Very high72 Ų7251.5 Ų51.550%0.50327%0.265SS..  trans-59.3138.9177.5177.70000111.4S27 V28S25-S27 WeakPolarHBondContact CB-OG 3.14Å; S25-S27 PolarHBondContact O-N 3.27Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact OG-N 3.19Å; S25-S27 PolarHBondContact OG-OG 3.23Å; S25-V28 WeakPolarHBondContact O-CB 3.48Å; S25-V28 VanDerWaalsContact O-CG1 3.29Å; S25-V28 WeakPolarHBondContact O-CG1 3.4Å; S25-V28 PolarHBondContact O-N 3.03Å
26R96.1Very high95.2Very high124 Ų12451.9 Ų51.947%0.46827%0.267SS..G310 helixtrans-57.9-24.8173.8-68.9-175.1-176.8-167.92.9113.5F6 I14 E17 V28 C29F6-R26 HydrophobicContact CE1-CG 4.14Å; I14-R26 HydrophobicContact CD1-CB 4.08Å; I14-R26 HydrophobicContact CD1-CG 4.1Å; E17-R26 VanDerWaalsContact CD-NH2 3.28Å; E17-R26 IonicContact OE1-CZ 2.78Å; E17-R26 IonicContact OE1-NE 3.51Å; E17-R26 PolarHBondContact OE1-NE 3.47Å; E17-R26 IonicContact OE1-NH2 2.63Å; E17-R26 PolarHBondContact OE1-NH2 2.89Å; E17-R26 WeakPolarHBondContact OE2-CG 3.47Å; E17-R26 IonicContact OE2-CZ 3.41Å; E17-R26 IonicContact OE2-NE 3.46Å; E17-R26 PolarHBondContact OE2-NE 3.32Å; E17-R26 IonicContact OE2-NH2 3.35Å; E17-R26 PolarHBondContact OE2-NH2 2.92Å; R26-V28 PolarHBondContact O-N 3.43Å; R26-C29 VanDerWaalsContact O-CB 3.31Å; R26-C29 WeakPolarHBondContact O-CB 3.21Å; R26-C29 PolarHBondContact O-N 3.43Å
27S95.9Very high95Very high61 Ų6159.4 Ų59.443%0.42730%0.302SS..G310 helixtrans-59-18.2175.263.50000113.3S25 C29 D30S25-S27 WeakPolarHBondContact CB-OG 3.14Å; S25-S27 PolarHBondContact O-N 3.27Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact OG-N 3.19Å; S25-S27 PolarHBondContact OG-OG 3.23Å; S27-C29 PolarHBondContact O-N 3.05Å; S27-D30 WeakPolarHBondContact CA-OD2 3.49Å; S27-D30 WeakPolarHBondContact O-CB 3.37Å; S27-D30 VanDerWaalsContact O-CG 3.24Å; S27-D30 PolarHBondContact O-N 3.45Å
28V96.1Very high94.9Very high11 Ų1166.4 Ų66.47%0.06733%0.326CS..G310 helixtrans-62.4-28.5171.280.50000111.7F6 V24 S25 R26 D30 Y31 H54 L56 V69F6-V28 HydrophobicContact CE2-CG1 4.05Å; F6-V28 HydrophobicContact CZ-CG1 4.48Å; V24-V28 HydrophobicContact CG1-CB 4.1Å; V24-V28 HydrophobicContact CG1-CG1 3.71Å; S25-V28 WeakPolarHBondContact O-CB 3.48Å; S25-V28 VanDerWaalsContact O-CG1 3.29Å; S25-V28 WeakPolarHBondContact O-CG1 3.4Å; S25-V28 PolarHBondContact O-N 3.03Å; R26-V28 PolarHBondContact O-N 3.43Å; V28-D30 PolarHBondContact O-N 2.98Å; V28-Y31 WeakPolarHBondContact O-CD2 3.43Å; V28-H54 HydrophobicContact CG2-CB 4.26Å; V28-L56 HydrophobicContact CG1-CD2 4.29Å; V28-L56 HydrophobicContact CG2-CD2 4.02Å; V28-L56 WeakPolarHBondContact O-CD1 3.35Å; V28-V69 HydrophobicContact CG1-CG2 4.04Å
29C96.8Very high94.7Very high0 Ų066.3 Ų66.30%033%0.33CS..G310 helixtrans-75.9-10.1178.5-66.20000113I14 R26 S27 Y31 F32 F33I14-C29 HydrophobicContact CD1-CB 4.01Å; R26-C29 VanDerWaalsContact O-CB 3.31Å; R26-C29 WeakPolarHBondContact O-CB 3.21Å; R26-C29 PolarHBondContact O-N 3.43Å; S27-C29 PolarHBondContact O-N 3.05Å; C29-Y31 PolarHBondContact O-N 2.86Å; C29-F32 WeakPolarHBondContact O-CA 3.37Å; C29-F32 VanDerWaalsContact O-CB 3.31Å; C29-F32 WeakPolarHBondContact O-CB 3.36Å; C29-F32 PolarHBondContact O-N 2.9Å; C29-F33 HydrophobicContact CB-CD2 4.25Å; C29-F33 HydrophobicContact CB-CE2 3.69Å; C29-F33 HydrophobicContact CB-CZ 4.18Å; C29-F33 WeakPolarHBondContact O-CD2 3.39Å; C29-F33 WeakPolarHBondContact O-CG 3.23Å; C29-F33 PolarHBondContact O-N 2.79Å
30D96.8Very high94.5Very high93 Ų9369.3 Ų69.350%0.49736%0.356SS..Hα-helixtrans-58.5-36.5176.7-61.6-17.4000111.1S27 V28 F32 F33 E34S27-D30 WeakPolarHBondContact CA-OD2 3.49Å; S27-D30 WeakPolarHBondContact O-CB 3.37Å; S27-D30 VanDerWaalsContact O-CG 3.24Å; S27-D30 PolarHBondContact O-N 3.45Å; V28-D30 PolarHBondContact O-N 2.98Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.04Å; D30-F33 PolarHBondContact O-N 2.94Å; D30-E34 WeakPolarHBondContact O-CB 3.1Å; D30-E34 PolarHBondContact O-N 3.42Å
31Y97.1Very high94.3Very high94 Ų9473.5 Ų73.537%0.36938%0.377SS..Hα-helixtrans-64.2-33.8173-63.2-80.7000113.1V28 C29 A35 T51 P52V28-Y31 WeakPolarHBondContact O-CD2 3.43Å; C29-Y31 PolarHBondContact O-N 2.86Å; Y31-A35 PolarHBondContact O-N 2.72Å; Y31-T51 HydrophobicContact CD1-CG2 4.42Å; Y31-T51 HydrophobicContact CD2-CG2 3.55Å; Y31-T51 HydrophobicContact CE2-CG2 4.2Å; Y31-T51 HydrophobicContact CG-CG2 3.68Å; Y31-P52 VanDerWaalsContact CZ-CD 3.47Å; Y31-P52 VanDerWaalsContact OH-CD 3.26Å; Y31-P52 WeakPolarHBondContact OH-CD 3.43Å; Y31-P52 WeakPolarHBondContact OH-CG 3.49Å
32F97.2Very high94.4Very high0 Ų072.3 Ų72.30%038%0.379CS..Hα-helixtrans-71.4-44174.9172.5-90.6000110.8V8 C29 D30 E34 A35 Q36 V45 I49 L56 Y65 V67V8-F32 HydrophobicContact CG1-CE1 4.47Å; C29-F32 WeakPolarHBondContact O-CA 3.37Å; C29-F32 VanDerWaalsContact O-CB 3.31Å; C29-F32 WeakPolarHBondContact O-CB 3.36Å; C29-F32 PolarHBondContact O-N 2.9Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.04Å; F32-E34 PolarHBondContact O-N 2.79Å; F32-A35 WeakPolarHBondContact O-CB 3.28Å; F32-A35 PolarHBondContact O-N 3.43Å; F32-Q36 WeakPolarHBondContact O-CB 3.45Å; F32-Q36 PolarHBondContact O-N 2.75Å; F32-V45 HydrophobicContact CD2-CG1 4.41Å; F32-V45 HydrophobicContact CE2-CG1 3.85Å; F32-V45 HydrophobicContact CZ-CG1 4.39Å; F32-I49 HydrophobicContact CB-CD1 4.38Å; F32-I49 HydrophobicContact CD2-CD1 3.93Å; F32-L56 HydrophobicContact CB-CD1 3.76Å; F32-Y65 HydrophobicContact CE1-CD2 4.2Å; F32-Y65 HydrophobicContact CE1-CG 4.21Å; F32-Y65 HydrophobicContact CE2-CD1 4.04Å; F32-Y65 HydrophobicContact CE2-CE1 4.37Å; F32-Y65 HydrophobicContact CE2-CG 4.33Å; F32-Y65 AromaticContact CZ-CD1 3.54Å; F32-Y65 HydrophobicContact CZ-CD1 3.54Å; F32-Y65 AromaticContact CZ-CD2 3.77Å; F32-Y65 HydrophobicContact CZ-CD2 3.77Å; F32-Y65 AromaticContact CZ-CE1 3.87Å; F32-Y65 HydrophobicContact CZ-CE1 3.87Å; F32-Y65 HydrophobicContact CZ-CE2 4.09Å; F32-Y65 AromaticContact CZ-CG 3.46Å; F32-Y65 HydrophobicContact CZ-CG 3.46Å; F32-Y65 VanDerWaalsContact CZ-CG 3.46Å; F32-V67 HydrophobicContact CD1-CG2 4.32Å; F32-V67 HydrophobicContact CD2-CG1 4.41Å; F32-V67 HydrophobicContact CD2-CG2 4.03Å; F32-V67 HydrophobicContact CE1-CG2 4.27Å; F32-V67 HydrophobicContact CE2-CG2 3.97Å; F32-V67 HydrophobicContact CG-CG2 4.22Å; F32-V67 HydrophobicContact CZ-CG2 4.11Å
33F96.8Very high94.7Very high41 Ų4177.2 Ų77.218%0.1840%0.395CS..Hα-helixtrans-63.5-40.4177.4-61.9-50.7000112.2V8 G12 I14 C29 D30 A35 Q36 E37V8-F33 HydrophobicContact CG1-CE1 3.71Å; V8-F33 HydrophobicContact CG1-CZ 4.34Å; V8-F33 HydrophobicContact CG2-CE1 4.39Å; V8-F33 HydrophobicContact CG2-CZ 4.44Å; G12-F33 WeakPolarHBondContact O-CE1 3.42Å; G12-F33 VanDerWaalsContact O-CZ 3.26Å; G12-F33 WeakPolarHBondContact O-CZ 3.25Å; I14-F33 HydrophobicContact CD1-CE2 4.38Å; I14-F33 HydrophobicContact CD1-CZ 4.23Å; I14-F33 HydrophobicContact CG1-CZ 3.99Å; C29-F33 HydrophobicContact CB-CD2 4.25Å; C29-F33 HydrophobicContact CB-CE2 3.69Å; C29-F33 HydrophobicContact CB-CZ 4.18Å; C29-F33 WeakPolarHBondContact O-CD2 3.39Å; C29-F33 WeakPolarHBondContact O-CG 3.23Å; C29-F33 PolarHBondContact O-N 2.79Å; D30-F33 PolarHBondContact O-N 2.94Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 3.02Å; F33-Q36 WeakPolarHBondContact O-CB 3.29Å; F33-Q36 PolarHBondContact O-N 3.24Å; F33-Q36 VanDerWaalsContact O-N 3.13Å; F33-E37 WeakPolarHBondContact O-CG 3.35Å; F33-E37 PolarHBondContact O-N 2.84Å
34E95.8Very high94.7Very high89 Ų8975.3 Ų75.342%0.41638%0.381SS..Hα-helixtrans-61-40.9173.5-175179.6-173.600111.9D30 F32 Q36 E37 R38D30-E34 WeakPolarHBondContact O-CB 3.1Å; D30-E34 PolarHBondContact O-N 3.42Å; F32-E34 PolarHBondContact O-N 2.79Å; E34-Q36 VanDerWaalsContact C-N 3.33Å; E34-E37 PolarHBondContact O-N 2.84Å; E34-R38 VanDerWaalsContact O-CG 3.29Å; E34-R38 WeakPolarHBondContact O-CG 3.27Å; E34-R38 PolarHBondContact O-N 2.95Å; E34-R38 IonicContact OE1-CZ 2.64Å; E34-R38 IonicContact OE1-NE 2.76Å; E34-R38 IonicContact OE1-NH2 3.64Å; E34-R38 PolarHBondContact OE1-NH2 2.88Å
35A95.2Very high94.7Very high16 Ų1675.3 Ų75.313%0.13238%0.381CS..Hα-helixtrans-67-35.9174.900000112.1Y31 F32 F33 R38 A39 V45 I49Y31-A35 PolarHBondContact O-N 2.72Å; F32-A35 WeakPolarHBondContact O-CB 3.28Å; F32-A35 PolarHBondContact O-N 3.43Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 3.02Å; A35-R38 PolarHBondContact O-N 2.99Å; A35-A39 PolarHBondContact O-N 2.93Å; A35-V45 HydrophobicContact CB-CG1 4.36Å; A35-I49 HydrophobicContact CB-CD1 3.49Å; A35-I49 VanDerWaalsContact CB-CD1 3.49Å; A35-I49 HydrophobicContact CB-CG1 4.31Å
36Q94.1Very high94.7Very high43 Ų4374.9 Ų74.920%0.20138%0.377CS..Hα-helixtrans-64.7-43.8175.7-173-179.48.400112.1F32 F33 E34 R38 A39 V45F32-Q36 WeakPolarHBondContact O-CB 3.45Å; F32-Q36 PolarHBondContact O-N 2.75Å; F33-Q36 WeakPolarHBondContact O-CB 3.29Å; F33-Q36 PolarHBondContact O-N 3.24Å; F33-Q36 VanDerWaalsContact O-N 3.13Å; E34-Q36 VanDerWaalsContact C-N 3.33Å; Q36-R38 VanDerWaalsContact C-N 3.28Å; Q36-R38 PolarHBondContact O-N 2.95Å; Q36-A39 PolarHBondContact O-N 2.9Å; Q36-V45 HydrophobicContact CB-CG2 4.24Å; Q36-V45 HydrophobicContact CG-CG2 4.27Å
37E93.8Very high94.7Very high166 Ų16672.3 Ų72.378%0.77638%0.376SS*.Hα-helixtrans-64.2-32.2177.3-73.8179.8178.100112.9F33 E34F33-E37 WeakPolarHBondContact O-CG 3.35Å; F33-E37 PolarHBondContact O-N 2.84Å; E34-E37 PolarHBondContact O-N 2.84Å
38R94.3Very high94.7Very high195 Ų19572 Ų7274%0.73637%0.371SS*.Hα-helixtrans-77.8-20.7178-69.3173.4-176.1-150.14.9113.3E34 A35 Q36E34-R38 VanDerWaalsContact O-CG 3.29Å; E34-R38 WeakPolarHBondContact O-CG 3.27Å; E34-R38 PolarHBondContact O-N 2.95Å; E34-R38 IonicContact OE1-CZ 2.64Å; E34-R38 IonicContact OE1-NE 2.76Å; E34-R38 IonicContact OE1-NH2 3.64Å; E34-R38 PolarHBondContact OE1-NH2 2.88Å; A35-R38 PolarHBondContact O-N 2.99Å; Q36-R38 VanDerWaalsContact C-N 3.28Å; Q36-R38 PolarHBondContact O-N 2.95Å
39A92.9Very high94.8Very high23 Ų2372.2 Ų72.219%0.1937%0.372CS..  trans-78.5134.1-177.400000111A35 Q36 E41 N44 V45A35-A39 PolarHBondContact O-N 2.93Å; Q36-A39 PolarHBondContact O-N 2.9Å; A39-E41 VanDerWaalsContact C-N 3.29Å; A39-E41 WeakPolarHBondContact CB-O 3.41Å; A39-E41 PolarHBondContact O-N 2.48Å; A39-N44 HydrophobicContact CB-CB 4.19Å; A39-V45 HydrophobicContact CB-CG2 3.65Å
40S91.5Very high94.7Very high107 Ų10776.6 Ų76.675%0.74840%0.401SS*.SBendtrans-68.1-30.6176.952.40000113N44S40-N44 PolarHBondContact OG-ND2 3.02Å
41E91.3Very high94.6Very high114 Ų11473.1 Ų73.153%0.53338%0.383SS..SBendtrans-138.6153.9177.6-60.3-177.715800108.8A39 E43 N44A39-E41 VanDerWaalsContact C-N 3.29Å; A39-E41 WeakPolarHBondContact CB-O 3.41Å; A39-E41 PolarHBondContact O-N 2.48Å; E41-E43 PolarHBondContact O-N 3.22Å; E41-E43 VanDerWaalsContact O-N 3.14Å; E41-N44 WeakPolarHBondContact O-CB 3.35Å; E41-N44 PolarHBondContact O-N 3.04Å
42P91.3Very high94.4Very high76 Ų7672.9 Ų72.949%0.49439%0.393SS..G310 helixtrans-54.2-34178.3-29.137.3000114.1N44 V45 L60 Y65P42-N44 PolarHBondContact O-N 3.37Å; P42-V45 WeakPolarHBondContact O-CG2 3.39Å; P42-V45 PolarHBondContact O-N 3.34Å; P42-L60 HydrophobicContact CB-CD2 3.48Å; P42-L60 VanDerWaalsContact CB-CD2 3.48Å; P42-Y65 WeakPolarHBondContact CA-OH 3.31Å; P42-Y65 VanDerWaalsContact CB-OH 3.3Å; P42-Y65 WeakPolarHBondContact CB-OH 3.27Å; P42-Y65 PolarHBondContact O-OH 2.99Å
43E92Very high94.2Very high162 Ų16279.8 Ų79.876%0.75743%0.425SS*.G310 helixtrans-71.8-16.5179.6-61.4-177.2-171.700113.2E41 V45 L60E41-E43 PolarHBondContact O-N 3.22Å; E41-E43 VanDerWaalsContact O-N 3.14Å; E43-V45 VanDerWaalsContact C-N 3.34Å; E43-L60 HydrophobicContact CG-CD2 4.19Å
44N93.6Very high94.1Very high85 Ų8579.5 Ų79.546%0.45542%0.424SS..G310 helixtrans-88.5-1-179.7-64-34.2000113.1A39 S40 E41 P42 P46A39-N44 HydrophobicContact CB-CB 4.19Å; S40-N44 PolarHBondContact OG-ND2 3.02Å; E41-N44 WeakPolarHBondContact O-CB 3.35Å; E41-N44 PolarHBondContact O-N 3.04Å; P42-N44 PolarHBondContact O-N 3.37Å; N44-P46 WeakPolarHBondContact O-CD 3.25Å
45V94.8Very high94.1Very high10 Ų1079.6 Ų79.66%0.06142%0.421CS..SBendtrans-65.3126.3173-178.50000109.1F32 A35 Q36 A39 P42 E43 I49 Y65F32-V45 HydrophobicContact CD2-CG1 4.41Å; F32-V45 HydrophobicContact CE2-CG1 3.85Å; F32-V45 HydrophobicContact CZ-CG1 4.39Å; A35-V45 HydrophobicContact CB-CG1 4.36Å; Q36-V45 HydrophobicContact CB-CG2 4.24Å; Q36-V45 HydrophobicContact CG-CG2 4.27Å; A39-V45 HydrophobicContact CB-CG2 3.65Å; P42-V45 WeakPolarHBondContact O-CG2 3.39Å; P42-V45 PolarHBondContact O-N 3.34Å; E43-V45 VanDerWaalsContact C-N 3.34Å; V45-I49 HydrophobicContact CG1-CD1 4.48Å; V45-Y65 HydrophobicContact CB-CE1 4.34Å; V45-Y65 HydrophobicContact CG2-CE1 4.4Å; V45-Y65 VanDerWaalsContact CG2-OH 3.3Å; V45-Y65 WeakPolarHBondContact CG2-OH 3.38Å
46P95.6Very high94.3Very high63 Ų6378.8 Ų78.841%0.40942%0.415SS..  trans-56.5128.7178.7-2634.6000111.5N44 V48 I49N44-P46 WeakPolarHBondContact O-CD 3.25Å; P46-V48 PolarHBondContact O-N 2.7Å; P46-I49 HydrophobicContact CB-CG1 4.28Å
47P95.2Very high94.4Very high69 Ų6976.8 Ų76.845%0.44841%0.405SS..SBendtrans-72.4-13.8-176.128.4-35.8000113.3I57 S58P47-I57 CarbonylContact O-C 3.47Å; P47-I57 VanDerWaalsContact O-CA 3.29Å; P47-I57 WeakPolarHBondContact O-CA 3.35Å; P47-S58 PolarHBondContact O-N 3.36Å
48V96.8Very high94.6Very high55 Ų5569.2 Ų69.233%0.33337%0.371SS..EExtended strand (participates in β ladder)trans-132.1119.5176.7-1750000108.4P46 L56 I57 P76P46-V48 PolarHBondContact O-N 2.7Å; V48-L56 CarbonylContact C-O 3.53Å; V48-L56 WeakPolarHBondContact CA-O 3.45Å; V48-I57 HydrophobicContact CG1-CG1 4.37Å; V48-I57 HydrophobicContact CG2-CG1 4.34Å; V48-P76 HydrophobicContact CG2-CB 3.95Å; V48-P76 HydrophobicContact CG2-CG 4.48Å
49I97.1Very high94.8Very high16 Ų1660.4 Ų60.48%0.08234%0.338CS..EExtended strand (participates in β ladder)trans-122.6116.2-177.7-60.6165.9000108.6F32 A35 V45 P46 L56F32-I49 HydrophobicContact CB-CD1 4.38Å; F32-I49 HydrophobicContact CD2-CD1 3.93Å; A35-I49 HydrophobicContact CB-CD1 3.49Å; A35-I49 VanDerWaalsContact CB-CD1 3.49Å; A35-I49 HydrophobicContact CB-CG1 4.31Å; V45-I49 HydrophobicContact CG1-CD1 4.48Å; P46-I49 HydrophobicContact CB-CG1 4.28Å; I49-L56 HydrophobicContact CB-CB 4.24Å; I49-L56 PolarHBondContact N-O 3.02Å; I49-L56 PolarHBondContact O-N 2.86Å
50P95.3Very high95Very high92 Ų9261.8 Ų61.860%0.59734%0.342SS*.EExtended strand (participates in β ladder)trans-75.4140.4174.331.2-33.1000110.9Y55P50-Y55 HydrophobicContact CB-CD1 4Å; P50-Y55 HydrophobicContact CB-CE1 4.04Å
51T94.8Very high95.1Very high20 Ų2059.9 Ų59.912%0.12332%0.319CS..  trans-125.5171.3171.679.40000108.8Y31 H53 H54 L56Y31-T51 HydrophobicContact CD1-CG2 4.42Å; Y31-T51 HydrophobicContact CD2-CG2 3.55Å; Y31-T51 HydrophobicContact CE2-CG2 4.2Å; Y31-T51 HydrophobicContact CG-CG2 3.68Å; T51-H53 PolarHBondContact O-N 3.34Å; T51-H53 VanDerWaalsContact O-N 3.12Å; T51-H54 CarbonylContact C-O 3.59Å; T51-H54 WeakPolarHBondContact CA-O 3.48Å; T51-H54 WeakPolarHBondContact CB-O 3.06Å; T51-H54 PolarHBondContact N-O 3.13Å; T51-H54 VanDerWaalsContact OG1-C 3.28Å; T51-H54 WeakPolarHBondContact OG1-CA 3.29Å; T51-H54 WeakPolarHBondContact OG1-CB 3.35Å; T51-H54 PolarHBondContact OG1-N 2.92Å; T51-H54 PolarHBondContact OG1-O 3.06Å; T51-L56 HydrophobicContact CG2-CD1 4.11Å; T51-L56 HydrophobicContact CG2-CG 3.95Å
52P93.7Very high95.2Very high89 Ų8958.4 Ų58.458%0.57831%0.312SS*.SBendtrans-57.1-30.3-177.1-28.536.4000115.4Y31Y31-P52 VanDerWaalsContact CZ-CD 3.47Å; Y31-P52 VanDerWaalsContact OH-CD 3.26Å; Y31-P52 WeakPolarHBondContact OH-CD 3.43Å; Y31-P52 WeakPolarHBondContact OH-CG 3.49Å
53H92.3Very high95.3Very high145 Ų14564.7 Ų64.767%0.67133%0.326SS*.SBendtrans-131.7-6.9-173.4-59.2-46.1000114.3T51T51-H53 PolarHBondContact O-N 3.34Å; T51-H53 VanDerWaalsContact O-N 3.12Å
54H95.1Very high95.6Very high35 Ų3557.3 Ų57.316%0.16229%0.291CS..  trans-142.3165.6-176.6-59.491.9000110.5V28 T51 V69 I70V28-H54 HydrophobicContact CG2-CB 4.26Å; T51-H54 CarbonylContact C-O 3.59Å; T51-H54 WeakPolarHBondContact CA-O 3.48Å; T51-H54 WeakPolarHBondContact CB-O 3.06Å; T51-H54 PolarHBondContact N-O 3.13Å; T51-H54 VanDerWaalsContact OG1-C 3.28Å; T51-H54 WeakPolarHBondContact OG1-CA 3.29Å; T51-H54 WeakPolarHBondContact OG1-CB 3.35Å; T51-H54 PolarHBondContact OG1-N 2.92Å; T51-H54 PolarHBondContact OG1-O 3.06Å; H54-V69 HydrophobicContact CB-CG1 3.73Å; H54-I70 CarbonylContact C-O 3.49Å; H54-I70 WeakPolarHBondContact CA-O 3.36Å; H54-I70 WeakPolarHBondContact CB-O 3.49Å
55Y96.1Very high95.8Very high90 Ų9053.6 Ų53.635%0.35327%0.271SS..EExtended strand (participates in β ladder)trans-114.4139.6160.5-53.4-97.3000108.8P50 I70P50-Y55 HydrophobicContact CB-CD1 4Å; P50-Y55 HydrophobicContact CB-CE1 4.04Å; Y55-I70 HydrophobicContact CD2-CD1 4.28Å; Y55-I70 HydrophobicContact CD2-CG1 4.2Å; Y55-I70 HydrophobicContact CG-CD1 4.38Å; Y55-I70 HydrophobicContact CG-CG1 4.34Å; Y55-I70 PolarHBondContact N-O 3.01Å; Y55-I70 WeakPolarHBondContact O-CG1 3.48Å; Y55-I70 PolarHBondContact O-N 3.18Å
56L97.8Very high95.9Very high0 Ų053.1 Ų53.10%027%0.268CS..EExtended strand (participates in β ladder)trans-98.2128.4170.9-52.7178.6000107.7V28 F32 V48 I49 T51 V67 A68 V69V28-L56 HydrophobicContact CG1-CD2 4.29Å; V28-L56 HydrophobicContact CG2-CD2 4.02Å; V28-L56 WeakPolarHBondContact O-CD1 3.35Å; F32-L56 HydrophobicContact CB-CD1 3.76Å; V48-L56 CarbonylContact C-O 3.53Å; V48-L56 WeakPolarHBondContact CA-O 3.45Å; I49-L56 HydrophobicContact CB-CB 4.24Å; I49-L56 PolarHBondContact N-O 3.02Å; I49-L56 PolarHBondContact O-N 2.86Å; T51-L56 HydrophobicContact CG2-CD1 4.11Å; T51-L56 HydrophobicContact CG2-CG 3.95Å; L56-V67 HydrophobicContact CB-CG1 4.16Å; L56-V67 HydrophobicContact CD2-CG1 4.38Å; L56-A68 CarbonylContact C-O 3.53Å; L56-A68 WeakPolarHBondContact CA-O 3.21Å; L56-V69 HydrophobicContact CD2-CB 4.37Å; L56-V69 HydrophobicContact CD2-CG1 4.27Å; L56-V69 HydrophobicContact CD2-CG2 3.67Å
57I98Very high96.1Very high1 Ų150.1 Ų50.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-120.7123.8174-59.8-180000107.4P47 V48 A68 I70 P76 V79 I80P47-I57 CarbonylContact O-C 3.47Å; P47-I57 VanDerWaalsContact O-CA 3.29Å; P47-I57 WeakPolarHBondContact O-CA 3.35Å; V48-I57 HydrophobicContact CG1-CG1 4.37Å; V48-I57 HydrophobicContact CG2-CG1 4.34Å; I57-A68 PolarHBondContact N-O 2.8Å; I57-A68 PolarHBondContact O-N 3.48Å; I57-I70 HydrophobicContact CD1-CD1 3.61Å; I57-I70 HydrophobicContact CD1-CG1 4.36Å; I57-I70 HydrophobicContact CG1-CD1 4.31Å; I57-P76 HydrophobicContact CD1-CB 4.14Å; I57-V79 HydrophobicContact CB-CB 4.45Å; I57-V79 HydrophobicContact CB-CG1 3.93Å; I57-V79 HydrophobicContact CD1-CB 3.84Å; I57-V79 HydrophobicContact CD1-CG1 4.09Å; I57-V79 HydrophobicContact CD1-CG2 3.95Å; I57-V79 HydrophobicContact CG2-CB 4.12Å; I57-V79 HydrophobicContact CG2-CG1 3.9Å; I57-I80 HydrophobicContact CG2-CD1 4.36Å; I57-I80 HydrophobicContact CG2-CG1 3.63Å
58S97.3Very high96.2Very high7 Ų746.9 Ų46.95%0.04923%0.227CC..EExtended strand (participates in β ladder)trans-131146.8-172.660.70000113.9P47 F66P47-S58 PolarHBondContact O-N 3.36Å; S58-F66 WeakPolarHBondContact CA-O 3.04Å
59V97.8Very high96.2Very high10 Ų1044.2 Ų44.26%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-124.7144.4167.2-58.60000110.1Y65 F66 I80 L83V59-Y65 WeakPolarHBondContact O-CA 3.25Å; V59-F66 HydrophobicContact CG2-CB 3.9Å; V59-F66 PolarHBondContact N-O 3.29Å; V59-F66 VanDerWaalsContact N-O 3.08Å; V59-F66 PolarHBondContact O-N 3.37Å; V59-I80 HydrophobicContact CG1-CB 4.37Å; V59-I80 HydrophobicContact CG1-CG1 4.4Å; V59-I80 HydrophobicContact CG1-CG2 3.86Å; V59-L83 HydrophobicContact CG1-CB 4.21Å; V59-L83 HydrophobicContact CG1-CD1 4.28Å; V59-L83 HydrophobicContact CG2-CB 3.58Å; V59-L83 HydrophobicContact CG2-CD1 4.19Å
60L96.8Very high96.2Very high51 Ų5143.7 Ų43.727%0.26721%0.208SC..EExtended strand (participates in β ladder)trans-103.7117173.3179.661.2000109.6P42 E43 Y65P42-L60 HydrophobicContact CB-CD2 3.48Å; P42-L60 VanDerWaalsContact CB-CD2 3.48Å; E43-L60 HydrophobicContact CG-CD2 4.19Å; L60-Y65 HydrophobicContact CB-CD1 3.83Å; L60-Y65 HydrophobicContact CB-CE1 3.72Å; L60-Y65 HydrophobicContact CD1-CD1 3.9Å; L60-Y65 HydrophobicContact CD1-CD2 4Å; L60-Y65 HydrophobicContact CD1-CE1 3.86Å; L60-Y65 HydrophobicContact CD1-CE2 3.96Å; L60-Y65 HydrophobicContact CD1-CG 3.98Å; L60-Y65 HydrophobicContact CD2-CE1 4.12Å; L60-Y65 HydrophobicContact CG-CD1 4.38Å; L60-Y65 HydrophobicContact CG-CE1 4.1Å
61R95.3Very high96Very high67 Ų6744.4 Ų44.425%0.25320%0.204SC..EExtended strand (participates in β ladder)trans-141137.2175.8-70.2-74.2-66.8-80.4-11.1109.6R63 I64 H84 V87 D88R61-R63 PolarHBondContact O-N 3.5Å; R61-R63 VanDerWaalsContact O-N 3.13Å; R61-I64 PolarHBondContact N-O 2.83Å; R61-I64 PolarHBondContact O-N 2.85Å; R61-I64 VanDerWaalsContact O-O 3.07Å; R61-H84 PolarHBondContact NH1-ND1 3.38Å; R61-H84 VanDerWaalsContact NH1-ND1 3.18Å; R61-V87 HydrophobicContact CB-CB 4.49Å; R61-V87 HydrophobicContact CB-CG1 3.79Å; R61-V87 HydrophobicContact CB-CG2 4Å; R61-V87 HydrophobicContact CG-CG1 4.17Å; R61-V87 HydrophobicContact CG-CG2 4.16Å; R61-D88 IonicContact CZ-OD1 2.67Å; R61-D88 IonicContact NH1-OD1 2.62Å; R61-D88 IonicContact NH2-OD1 2.73Å; R61-D88 PolarHBondContact NH2-OD1 2.96Å
62H93.6Very high95.8Very high84 Ų8446.4 Ų46.439%0.38922%0.219SC..THydrogen-bonded Turntrans52.934.1179.7-52.6102.4000113.9I64 Q91 C97H62-I64 PolarHBondContact O-N 3.06Å; H62-Q91 PolarHBondContact CE1-OE1 3.46Å; H62-C97 WeakPolarHBondContact CB-O 3.25Å
63R93.5Very high95.4Very high208 Ų20850.4 Ų50.479%0.78523%0.23SC*.THydrogen-bonded Turntrans62.421.7-174.9-46.4-174.4-163.8167.84.3115.2R61R61-R63 PolarHBondContact O-N 3.5Å; R61-R63 VanDerWaalsContact O-N 3.13Å
64I96.6Very high95.3Very high6 Ų644.4 Ų44.43%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-118132173.9-59.8167.6000107.6L7 V8 F15 R61 H62 F66 I102L7-I64 HydrophobicContact CB-CG2 4.34Å; L7-I64 HydrophobicContact CG-CG2 4.35Å; V8-I64 WeakPolarHBondContact O-CA 3.25Å; F15-I64 HydrophobicContact CE1-CG2 3.98Å; F15-I64 HydrophobicContact CZ-CD1 4.34Å; F15-I64 HydrophobicContact CZ-CG2 4.1Å; R61-I64 PolarHBondContact N-O 2.83Å; R61-I64 PolarHBondContact O-N 2.85Å; R61-I64 VanDerWaalsContact O-O 3.07Å; H62-I64 PolarHBondContact O-N 3.06Å; I64-F66 HydrophobicContact CB-CE2 3.92Å; I64-F66 HydrophobicContact CG2-CD2 4.09Å; I64-F66 HydrophobicContact CG2-CE2 3.64Å; I64-F66 HydrophobicContact CG2-CZ 4.2Å; I64-I102 HydrophobicContact CD1-CD1 4.11Å
65Y97.9Very high95.3Very high8 Ų847 Ų473%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-87.4132.8167.8-67.2-85.2000110.1L7 V8 F32 P42 V45 V59 L60L7-Y65 WeakPolarHBondContact CA-O 3.37Å; V8-Y65 PolarHBondContact N-O 3.01Å; V8-Y65 PolarHBondContact O-N 2.83Å; F32-Y65 HydrophobicContact CE1-CD2 4.2Å; F32-Y65 HydrophobicContact CE1-CG 4.21Å; F32-Y65 HydrophobicContact CE2-CD1 4.04Å; F32-Y65 HydrophobicContact CE2-CE1 4.37Å; F32-Y65 HydrophobicContact CE2-CG 4.33Å; F32-Y65 AromaticContact CZ-CD1 3.54Å; F32-Y65 HydrophobicContact CZ-CD1 3.54Å; F32-Y65 AromaticContact CZ-CD2 3.77Å; F32-Y65 HydrophobicContact CZ-CD2 3.77Å; F32-Y65 AromaticContact CZ-CE1 3.87Å; F32-Y65 HydrophobicContact CZ-CE1 3.87Å; F32-Y65 HydrophobicContact CZ-CE2 4.09Å; F32-Y65 AromaticContact CZ-CG 3.46Å; F32-Y65 HydrophobicContact CZ-CG 3.46Å; F32-Y65 VanDerWaalsContact CZ-CG 3.46Å; P42-Y65 WeakPolarHBondContact CA-OH 3.31Å; P42-Y65 VanDerWaalsContact CB-OH 3.3Å; P42-Y65 WeakPolarHBondContact CB-OH 3.27Å; P42-Y65 PolarHBondContact O-OH 2.99Å; V45-Y65 HydrophobicContact CB-CE1 4.34Å; V45-Y65 HydrophobicContact CG2-CE1 4.4Å; V45-Y65 VanDerWaalsContact CG2-OH 3.3Å; V45-Y65 WeakPolarHBondContact CG2-OH 3.38Å; V59-Y65 WeakPolarHBondContact O-CA 3.25Å; L60-Y65 HydrophobicContact CB-CD1 3.83Å; L60-Y65 HydrophobicContact CB-CE1 3.72Å; L60-Y65 HydrophobicContact CD1-CD1 3.9Å; L60-Y65 HydrophobicContact CD1-CD2 4Å; L60-Y65 HydrophobicContact CD1-CE1 3.86Å; L60-Y65 HydrophobicContact CD1-CE2 3.96Å; L60-Y65 HydrophobicContact CD1-CG 3.98Å; L60-Y65 HydrophobicContact CD2-CE1 4.12Å; L60-Y65 HydrophobicContact CG-CD1 4.38Å; L60-Y65 HydrophobicContact CG-CE1 4.1Å
66F98.4Very high95.2Very high0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-105.6109.8169.8-69-108.3000106.3L5 L7 S58 V59 I64 L83 V86 V87 F90L5-F66 HydrophobicContact CD1-CB 4.23Å; L7-F66 HydrophobicContact CD1-CD1 3.73Å; L7-F66 HydrophobicContact CD1-CE1 3.98Å; L7-F66 HydrophobicContact CD1-CG 4.48Å; L7-F66 HydrophobicContact CD2-CD1 4.38Å; L7-F66 HydrophobicContact CD2-CE1 3.8Å; L7-F66 HydrophobicContact CD2-CZ 4.14Å; L7-F66 HydrophobicContact CG-CD1 3.89Å; L7-F66 HydrophobicContact CG-CE1 3.81Å; L7-F66 HydrophobicContact CG-CG 4.44Å; L7-F66 HydrophobicContact CG-CZ 4.27Å; S58-F66 WeakPolarHBondContact CA-O 3.04Å; V59-F66 HydrophobicContact CG2-CB 3.9Å; V59-F66 PolarHBondContact N-O 3.29Å; V59-F66 VanDerWaalsContact N-O 3.08Å; V59-F66 PolarHBondContact O-N 3.37Å; I64-F66 HydrophobicContact CB-CE2 3.92Å; I64-F66 HydrophobicContact CG2-CD2 4.09Å; I64-F66 HydrophobicContact CG2-CE2 3.64Å; I64-F66 HydrophobicContact CG2-CZ 4.2Å; F66-L83 HydrophobicContact CB-CD2 4.22Å; F66-L83 WeakPolarHBondContact O-CD1 3.5Å; F66-V86 HydrophobicContact CD1-CG1 4.33Å; F66-V86 HydrophobicContact CE1-CG1 4.11Å; F66-V87 HydrophobicContact CD1-CG2 4.18Å; F66-V87 HydrophobicContact CD2-CG2 3.74Å; F66-V87 HydrophobicContact CE1-CG2 3.92Å; F66-V87 HydrophobicContact CE2-CG2 3.49Å; F66-V87 VanDerWaalsContact CE2-CG2 3.49Å; F66-V87 HydrophobicContact CG-CG2 4.1Å; F66-V87 HydrophobicContact CZ-CG2 3.59Å; F66-F90 HydrophobicContact CE1-CD2 4.21Å; F66-F90 AromaticContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CZ-CD2 4.42Å
67V98.3Very high95Very high0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-111.6104.5-172.9-173.10000108.9L5 F6 V8 F32 L56L5-V67 WeakPolarHBondContact CA-O 3.38Å; F6-V67 HydrophobicContact CB-CB 4.42Å; F6-V67 PolarHBondContact N-O 2.86Å; F6-V67 PolarHBondContact O-N 2.62Å; V8-V67 HydrophobicContact CG2-CG2 4.27Å; F32-V67 HydrophobicContact CD1-CG2 4.32Å; F32-V67 HydrophobicContact CD2-CG1 4.41Å; F32-V67 HydrophobicContact CD2-CG2 4.03Å; F32-V67 HydrophobicContact CE1-CG2 4.27Å; F32-V67 HydrophobicContact CE2-CG2 3.97Å; F32-V67 HydrophobicContact CG-CG2 4.22Å; F32-V67 HydrophobicContact CZ-CG2 4.11Å; L56-V67 HydrophobicContact CB-CG1 4.16Å; L56-V67 HydrophobicContact CD2-CG1 4.38Å
68A97.9Very high94.8Very high0 Ų056.3 Ų56.30%028%0.277CS..EExtended strand (participates in β ladder)trans-84139.5172.400000110.9I2 S4 L56 I57 V79 L83I2-A68 HydrophobicContact CG2-CB 4.28Å; S4-A68 CarbonylContact O-C 3.47Å; S4-A68 WeakPolarHBondContact O-CA 3.48Å; L56-A68 CarbonylContact C-O 3.53Å; L56-A68 WeakPolarHBondContact CA-O 3.21Å; I57-A68 PolarHBondContact N-O 2.8Å; I57-A68 PolarHBondContact O-N 3.48Å; A68-V79 HydrophobicContact CB-CG1 3.61Å; A68-L83 HydrophobicContact CB-CD1 4.05Å; A68-L83 HydrophobicContact CB-CD2 4.17Å; A68-L83 HydrophobicContact CB-CG 4.44Å
69V97.6Very high94.8Very high0 Ų056 Ų560%028%0.275CS..EExtended strand (participates in β ladder)trans-106.5127.2172.1-172.10000109.4H3 S4 F6 V24 V28 H54 L56H3-V69 PolarHBondContact N-O 3.31Å; S4-V69 PolarHBondContact O-N 3.15Å; F6-V69 HydrophobicContact CD2-CG2 3.84Å; F6-V69 HydrophobicContact CE2-CG2 3.54Å; V24-V69 HydrophobicContact CG1-CG1 4.29Å; V28-V69 HydrophobicContact CG1-CG2 4.04Å; H54-V69 HydrophobicContact CB-CG1 3.73Å; L56-V69 HydrophobicContact CD2-CB 4.37Å; L56-V69 HydrophobicContact CD2-CG1 4.27Å; L56-V69 HydrophobicContact CD2-CG2 3.67Å
70I95.7Very high94.7Very high4 Ų457 Ų572%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-121.5147173.564.6169.7000109.6I2 H54 Y55 I57 V74 V79I2-I70 HydrophobicContact CG1-CG2 4.22Å; H54-I70 CarbonylContact C-O 3.49Å; H54-I70 WeakPolarHBondContact CA-O 3.36Å; H54-I70 WeakPolarHBondContact CB-O 3.49Å; Y55-I70 HydrophobicContact CD2-CD1 4.28Å; Y55-I70 HydrophobicContact CD2-CG1 4.2Å; Y55-I70 HydrophobicContact CG-CD1 4.38Å; Y55-I70 HydrophobicContact CG-CG1 4.34Å; Y55-I70 PolarHBondContact N-O 3.01Å; Y55-I70 WeakPolarHBondContact O-CG1 3.48Å; Y55-I70 PolarHBondContact O-N 3.18Å; I57-I70 HydrophobicContact CD1-CD1 3.61Å; I57-I70 HydrophobicContact CD1-CG1 4.36Å; I57-I70 HydrophobicContact CG1-CD1 4.31Å; I70-V74 HydrophobicContact CD1-CG2 3.67Å; I70-V74 HydrophobicContact CG2-CG2 4.37Å; I70-V79 HydrophobicContact CG2-CG2 4.3Å
71Q91.6Very high94.6Very high107 Ų10759 Ų5950%0.529%0.288SS..SBendtrans-104.7-26.8178.5-167177.84.200112.7H3H3-Q71 PolarHBondContact CE1-OE1 3.38Å
72S89.5Confident94.6Very high63 Ų6356.2 Ų56.244%0.44128%0.278SS..SBendtrans-110.7150.1177.358.90000110.4V74S72-V74 PolarHBondContact O-N 3.47Å
73E87Confident94.8Very high173 Ų17352.3 Ų52.381%0.80826%0.259SS*.  trans-59.9126.6173.1-170.3175.1178.500110.8
74V90.4Very high94.9Very high18 Ų1844.7 Ų44.711%0.10923%0.233CC..  trans-140.2156.5174.2-61.60000109.2M1 I70 S72 P76 V79M1-V74 HydrophobicContact CB-CG1 4.34Å; M1-V74 HydrophobicContact CE-CB 4.33Å; M1-V74 HydrophobicContact CE-CG1 3.92Å; M1-V74 HydrophobicContact CG-CB 4.29Å; M1-V74 HydrophobicContact CG-CG1 3.81Å; M1-V74 HydrophobicContact CG-CG2 4.08Å; M1-V74 HydrophobicContact SD-CB 4.38Å; M1-V74 HydrophobicContact SD-CG1 4.26Å; M1-V74 HydrophobicContact SD-CG2 4.46Å; I70-V74 HydrophobicContact CD1-CG2 3.67Å; I70-V74 HydrophobicContact CG2-CG2 4.37Å; S72-V74 PolarHBondContact O-N 3.47Å; V74-P76 WeakPolarHBondContact O-CD 3.33Å; V74-V79 HydrophobicContact CG2-CG2 3.79Å
75P93.8Very high94.8Very high91 Ų9148.8 Ų48.859%0.59125%0.248SC*.  trans-55114.9176.4-26.435.7000111L77 F78P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 2.9Å; P75-F78 HydrophobicContact CB-CB 4.39Å; P75-F78 VanDerWaalsContact O-CB 3.26Å; P75-F78 WeakPolarHBondContact O-CB 3.46Å; P75-F78 PolarHBondContact O-N 3.38Å
76P94.2Very high94.8Very high57 Ų5748.4 Ų48.437%0.3725%0.246SC..Hα-helixtrans-61.9-34.4-171.8-27.636.5000113.5V48 I57 V74 F78 V79 I80V48-P76 HydrophobicContact CG2-CB 3.95Å; V48-P76 HydrophobicContact CG2-CG 4.48Å; I57-P76 HydrophobicContact CD1-CB 4.14Å; V74-P76 WeakPolarHBondContact O-CD 3.33Å; P76-F78 PolarHBondContact O-N 3Å; P76-V79 PolarHBondContact O-N 2.82Å; P76-V79 VanDerWaalsContact O-N 3.09Å; P76-I80 WeakPolarHBondContact O-CG1 3.49Å; P76-I80 PolarHBondContact O-N 2.82Å
77L94.8Very high94.7Very high139 Ų13948.4 Ų48.473%0.72825%0.246SC*.Hα-helixtrans-58.4-31.8176.6-70.5175.5000112.8P75 E81P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 2.9Å; L77-E81 WeakPolarHBondContact O-CB 3.34Å; L77-E81 PolarHBondContact O-N 2.87Å
78F93.6Very high94.4Very high89 Ų8950.5 Ų50.539%0.3926%0.258SS..Hα-helixtrans-64.2-44.3176.3179.8-92.4000111.5M1 P75 P76 F82 P122M1-F78 HydrophobicContact CE-CD1 4.45Å; M1-F78 HydrophobicContact CE-CE1 4.27Å; M1-F78 HydrophobicContact SD-CD1 3.37Å; M1-F78 WeakPolarHBondContact SD-CD1 3.47Å; M1-F78 HydrophobicContact SD-CE1 3.2Å; M1-F78 WeakPolarHBondContact SD-CE1 3.49Å; M1-F78 HydrophobicContact SD-CG 4.48Å; M1-F78 HydrophobicContact SD-CZ 4.21Å; P75-F78 HydrophobicContact CB-CB 4.39Å; P75-F78 VanDerWaalsContact O-CB 3.26Å; P75-F78 WeakPolarHBondContact O-CB 3.46Å; P75-F78 PolarHBondContact O-N 3.38Å; P76-F78 PolarHBondContact O-N 3Å; F78-F82 PolarHBondContact O-N 2.91Å; F78-F82 VanDerWaalsContact O-N 3.1Å; F78-P122 VanDerWaalsContact CE1-CD 3.49Å; F78-P122 HydrophobicContact CE1-CG 3.55Å; F78-P122 HydrophobicContact CZ-CB 4.27Å; F78-P122 HydrophobicContact CZ-CG 3.5Å
79V96.4Very high94.2Very high0 Ų050.8 Ų50.80%026%0.259CS..Hα-helixtrans-70.5-41.7178.9-179.10000110.4I2 I57 A68 I70 V74 P76 E81 F82 L83I2-V79 HydrophobicContact CD1-CG1 4.06Å; I2-V79 HydrophobicContact CD1-CG2 4.38Å; I2-V79 HydrophobicContact CG1-CG1 4.19Å; I2-V79 HydrophobicContact CG1-CG2 4.2Å; I57-V79 HydrophobicContact CB-CB 4.45Å; I57-V79 HydrophobicContact CB-CG1 3.93Å; I57-V79 HydrophobicContact CD1-CB 3.84Å; I57-V79 HydrophobicContact CD1-CG1 4.09Å; I57-V79 HydrophobicContact CD1-CG2 3.95Å; I57-V79 HydrophobicContact CG2-CB 4.12Å; I57-V79 HydrophobicContact CG2-CG1 3.9Å; A68-V79 HydrophobicContact CB-CG1 3.61Å; I70-V79 HydrophobicContact CG2-CG2 4.3Å; V74-V79 HydrophobicContact CG2-CG2 3.79Å; P76-V79 PolarHBondContact O-N 2.82Å; P76-V79 VanDerWaalsContact O-N 3.09Å; V79-E81 PolarHBondContact O-N 2.85Å; V79-F82 PolarHBondContact O-N 3.33Å; V79-L83 HydrophobicContact CG1-CD1 4.38Å; V79-L83 HydrophobicContact CG1-CG 4.47Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.19Å; V79-L83 PolarHBondContact O-N 2.95Å
80I96.5Very high94.1Very high33 Ų3350.8 Ų50.817%0.16926%0.259CS..Hα-helixtrans-58.4-47.2176.2-70.1168.3000111.2I57 V59 P76 L83 H84I57-I80 HydrophobicContact CG2-CD1 4.36Å; I57-I80 HydrophobicContact CG2-CG1 3.63Å; V59-I80 HydrophobicContact CG1-CB 4.37Å; V59-I80 HydrophobicContact CG1-CG1 4.4Å; V59-I80 HydrophobicContact CG1-CG2 3.86Å; P76-I80 WeakPolarHBondContact O-CG1 3.49Å; P76-I80 PolarHBondContact O-N 2.82Å; I80-L83 PolarHBondContact O-N 2.92Å; I80-H84 PolarHBondContact O-CD2 3.15Å; I80-H84 PolarHBondContact O-N 3.3Å
81E94.3Very high94Very high93 Ų9354 Ų5444%0.43527%0.274SS..Hα-helixtrans-62.3-43.9177.5176.855.5-154.100111.5L77 V79 L83 H84 R85L77-E81 WeakPolarHBondContact O-CB 3.34Å; L77-E81 PolarHBondContact O-N 2.87Å; V79-E81 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 2.89Å; E81-H84 PolarHBondContact O-N 2.76Å; E81-R85 WeakPolarHBondContact O-CG 3.24Å; E81-R85 PolarHBondContact O-N 2.92Å; E81-R85 IonicContact OE1-CZ 3.6Å; E81-R85 IonicContact OE1-NE 2.78Å; E81-R85 IonicContact OE1-NH1 3.43Å; E81-R85 PolarHBondContact OE1-NH1 2.98Å
82F96.1Very high93.8Very high8 Ų852.8 Ų52.84%0.03527%0.271CS..Hα-helixtrans-58.4-44.5175172.2-101.5000112.1I2 F78 V79 H84 R85 V86 M116 L117 P122 T125I2-F82 HydrophobicContact CD1-CD1 3.53Å; I2-F82 HydrophobicContact CD1-CE1 3.94Å; I2-F82 HydrophobicContact CD1-CG 4.21Å; F78-F82 PolarHBondContact O-N 2.91Å; F78-F82 VanDerWaalsContact O-N 3.1Å; V79-F82 PolarHBondContact O-N 3.33Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 2.85Å; F82-R85 WeakPolarHBondContact O-CB 3.38Å; F82-R85 PolarHBondContact O-N 3.23Å; F82-R85 VanDerWaalsContact O-N 3.11Å; F82-V86 HydrophobicContact CD1-CG2 4.36Å; F82-V86 HydrophobicContact CE1-CG2 3.8Å; F82-V86 HydrophobicContact CE2-CG2 4.14Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 WeakPolarHBondContact O-CG2 3.23Å; F82-V86 PolarHBondContact O-N 2.83Å; F82-M116 HydrophobicContact CE2-CB 4.19Å; F82-M116 HydrophobicContact CE2-CE 4.48Å; F82-M116 HydrophobicContact CZ-CB 4.48Å; F82-L117 HydrophobicContact CD1-CD1 4.49Å; F82-L117 HydrophobicContact CD2-CD1 4.35Å; F82-L117 HydrophobicContact CE1-CD1 3.98Å; F82-L117 HydrophobicContact CE1-CD2 4.46Å; F82-L117 HydrophobicContact CE2-CB 4.26Å; F82-L117 HydrophobicContact CE2-CD1 3.81Å; F82-L117 HydrophobicContact CZ-CB 3.84Å; F82-L117 HydrophobicContact CZ-CD1 3.62Å; F82-L117 HydrophobicContact CZ-CD2 4.35Å; F82-L117 HydrophobicContact CZ-CG 4.16Å; F82-P122 HydrophobicContact CB-CG 4.26Å; F82-P122 HydrophobicContact CD2-CB 3.88Å; F82-P122 HydrophobicContact CD2-CG 3.6Å; F82-P122 HydrophobicContact CE2-CB 4.28Å; F82-P122 HydrophobicContact CE2-CG 4.19Å; F82-P122 HydrophobicContact CG-CG 4.01Å; F82-T125 HydrophobicContact CD2-CG2 4.33Å; F82-T125 HydrophobicContact CE2-CG2 4.42Å
83L97.4Very high93.9Very high1 Ų150.4 Ų50.41%0.00525%0.252CS..Hα-helixtrans-63.2-39.9177.7-67.1177.9000112.2L5 V59 F66 A68 V79 I80 E81 R85 V86 V87L5-L83 HydrophobicContact CD1-CD2 3.58Å; V59-L83 HydrophobicContact CG1-CB 4.21Å; V59-L83 HydrophobicContact CG1-CD1 4.28Å; V59-L83 HydrophobicContact CG2-CB 3.58Å; V59-L83 HydrophobicContact CG2-CD1 4.19Å; F66-L83 HydrophobicContact CB-CD2 4.22Å; F66-L83 WeakPolarHBondContact O-CD1 3.5Å; A68-L83 HydrophobicContact CB-CD1 4.05Å; A68-L83 HydrophobicContact CB-CD2 4.17Å; A68-L83 HydrophobicContact CB-CG 4.44Å; V79-L83 HydrophobicContact CG1-CD1 4.38Å; V79-L83 HydrophobicContact CG1-CG 4.47Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.19Å; V79-L83 PolarHBondContact O-N 2.95Å; I80-L83 PolarHBondContact O-N 2.92Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 2.89Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 2.85Å; L83-V86 PolarHBondContact O-N 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.18Å; L83-V87 PolarHBondContact O-N 3.06Å; L83-V87 VanDerWaalsContact O-N 3.12Å
84H95.8Very high94.1Very high49 Ų4943.7 Ų43.723%0.22722%0.221CC..Hα-helixtrans-62.4-38.6172.1-75.6-47.1000112.3R61 I80 E81 F82 V86 V87 D88R61-H84 PolarHBondContact NH1-ND1 3.38Å; R61-H84 VanDerWaalsContact NH1-ND1 3.18Å; I80-H84 PolarHBondContact O-CD2 3.15Å; I80-H84 PolarHBondContact O-N 3.3Å; E81-H84 PolarHBondContact O-N 2.76Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 2.85Å; H84-V86 PolarHBondContact O-N 2.8Å; H84-V87 PolarHBondContact O-N 2.57Å; H84-D88 PolarHBondContact O-N 2.85Å
85R94.6Very high94.1Very high92 Ų9245.4 Ų45.435%0.34724%0.242SC..Hα-helixtrans-63.8-36.7173.8-70.4-70.783.299.6-7.2113.3E81 F82 L83 D88 T89 M116E81-R85 WeakPolarHBondContact O-CG 3.24Å; E81-R85 PolarHBondContact O-N 2.92Å; E81-R85 IonicContact OE1-CZ 3.6Å; E81-R85 IonicContact OE1-NE 2.78Å; E81-R85 IonicContact OE1-NH1 3.43Å; E81-R85 PolarHBondContact OE1-NH1 2.98Å; F82-R85 WeakPolarHBondContact O-CB 3.38Å; F82-R85 PolarHBondContact O-N 3.23Å; F82-R85 VanDerWaalsContact O-N 3.11Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 2.85Å; R85-D88 IonicContact CZ-OD2 3.49Å; R85-D88 IonicContact NE-OD2 2.64Å; R85-D88 IonicContact NH2-OD2 3.8Å; R85-D88 PolarHBondContact NH2-OD2 3.19Å; R85-D88 PolarHBondContact O-N 2.65Å; R85-T89 WeakPolarHBondContact O-CB 3.47Å; R85-T89 PolarHBondContact O-N 2.93Å; R85-T89 PolarHBondContact O-OG1 2.81Å; R85-M116 HydrophobicContact CB-CE 4.35Å
86V96.6Very high94Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-61.1-48.5172.6172.30000110.6F66 F82 L83 H84 D88 T89 F90 L113 M116F66-V86 HydrophobicContact CD1-CG1 4.33Å; F66-V86 HydrophobicContact CE1-CG1 4.11Å; F82-V86 HydrophobicContact CD1-CG2 4.36Å; F82-V86 HydrophobicContact CE1-CG2 3.8Å; F82-V86 HydrophobicContact CE2-CG2 4.14Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 WeakPolarHBondContact O-CG2 3.23Å; F82-V86 PolarHBondContact O-N 2.83Å; L83-V86 PolarHBondContact O-N 3.28Å; H84-V86 PolarHBondContact O-N 2.8Å; V86-D88 PolarHBondContact O-N 3.14Å; V86-T89 PolarHBondContact O-N 3.08Å; V86-F90 HydrophobicContact CG1-CD2 4.3Å; V86-F90 HydrophobicContact CG1-CE1 4.08Å; V86-F90 HydrophobicContact CG1-CE2 3.74Å; V86-F90 HydrophobicContact CG1-CZ 3.59Å; V86-F90 WeakPolarHBondContact O-CG 3.5Å; V86-F90 PolarHBondContact O-N 2.86Å; V86-L113 HydrophobicContact CG1-CD2 3.79Å; V86-L113 HydrophobicContact CG2-CD2 4.18Å; V86-M116 HydrophobicContact CB-CE 4.49Å; V86-M116 HydrophobicContact CG2-CE 3.88Å; V86-M116 HydrophobicContact CG2-SD 4.19Å
87V96.4Very high94Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-58-48178175.30000111.4R61 F66 L83 H84 T89 F90 Q91R61-V87 HydrophobicContact CB-CB 4.49Å; R61-V87 HydrophobicContact CB-CG1 3.79Å; R61-V87 HydrophobicContact CB-CG2 4Å; R61-V87 HydrophobicContact CG-CG1 4.17Å; R61-V87 HydrophobicContact CG-CG2 4.16Å; F66-V87 HydrophobicContact CD1-CG2 4.18Å; F66-V87 HydrophobicContact CD2-CG2 3.74Å; F66-V87 HydrophobicContact CE1-CG2 3.92Å; F66-V87 HydrophobicContact CE2-CG2 3.49Å; F66-V87 VanDerWaalsContact CE2-CG2 3.49Å; F66-V87 HydrophobicContact CG-CG2 4.1Å; F66-V87 HydrophobicContact CZ-CG2 3.59Å; L83-V87 WeakPolarHBondContact O-CG2 3.18Å; L83-V87 PolarHBondContact O-N 3.06Å; L83-V87 VanDerWaalsContact O-N 3.12Å; H84-V87 PolarHBondContact O-N 2.57Å; V87-T89 VanDerWaalsContact C-N 3.31Å; V87-T89 PolarHBondContact O-N 2.89Å; V87-F90 PolarHBondContact O-N 2.83Å; V87-Q91 PolarHBondContact O-N 3.22Å
88D93.3Very high94.1Very high44 Ų4438.3 Ų38.324%0.23520%0.202CC..Hα-helixtrans-68-34-177.5-63.5-19.2000111.5R61 H84 R85 V86 Q91 D92R61-D88 IonicContact CZ-OD1 2.67Å; R61-D88 IonicContact NH1-OD1 2.62Å; R61-D88 IonicContact NH2-OD1 2.73Å; R61-D88 PolarHBondContact NH2-OD1 2.96Å; H84-D88 PolarHBondContact O-N 2.85Å; R85-D88 IonicContact CZ-OD2 3.49Å; R85-D88 IonicContact NE-OD2 2.64Å; R85-D88 IonicContact NH2-OD2 3.8Å; R85-D88 PolarHBondContact NH2-OD2 3.19Å; R85-D88 PolarHBondContact O-N 2.65Å; V86-D88 PolarHBondContact O-N 3.14Å; D88-Q91 PolarHBondContact O-N 2.87Å; D88-D92 WeakPolarHBondContact O-CB 3.5Å; D88-D92 PolarHBondContact O-N 2.8Å
89T93.6Very high94.2Very high5 Ų536.8 Ų36.83%0.03120%0.196CC..Hα-helixtrans-63.4-46.6172.7-590000111R85 V86 V87 Q91 D92 Y93 L112 M116 L130R85-T89 WeakPolarHBondContact O-CB 3.47Å; R85-T89 PolarHBondContact O-N 2.93Å; R85-T89 PolarHBondContact O-OG1 2.81Å; V86-T89 PolarHBondContact O-N 3.08Å; V87-T89 VanDerWaalsContact C-N 3.31Å; V87-T89 PolarHBondContact O-N 2.89Å; T89-Q91 VanDerWaalsContact C-N 3.31Å; T89-Q91 PolarHBondContact O-N 2.85Å; T89-D92 PolarHBondContact O-N 2.99Å; T89-Y93 HydrophobicContact CG2-CD2 3.94Å; T89-Y93 HydrophobicContact CG2-CE2 3.94Å; T89-Y93 VanDerWaalsContact O-CD2 3.26Å; T89-Y93 WeakPolarHBondContact O-CD2 3.17Å; T89-Y93 PolarHBondContact O-N 3.37Å; T89-L112 HydrophobicContact CG2-CD1 4.26Å; T89-L112 HydrophobicContact CG2-CD2 4.17Å; T89-M116 HydrophobicContact CG2-SD 4.06Å; T89-L130 HydrophobicContact CG2-CD1 3.75Å
90F94.9Very high94.1Very high0 Ų039.5 Ų39.50%022%0.218CC..Hα-helixtrans-61.5-41.6176.5-68.1-7.7000111.8L7 F66 V86 V87 D92 Y93 F94 I102 V109 L112 L113L7-F90 HydrophobicContact CD2-CE2 4.34Å; F66-F90 HydrophobicContact CE1-CD2 4.21Å; F66-F90 AromaticContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CZ-CD2 4.42Å; V86-F90 HydrophobicContact CG1-CD2 4.3Å; V86-F90 HydrophobicContact CG1-CE1 4.08Å; V86-F90 HydrophobicContact CG1-CE2 3.74Å; V86-F90 HydrophobicContact CG1-CZ 3.59Å; V86-F90 WeakPolarHBondContact O-CG 3.5Å; V86-F90 PolarHBondContact O-N 2.86Å; V87-F90 PolarHBondContact O-N 2.83Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-D92 PolarHBondContact O-N 3.1Å; F90-Y93 PolarHBondContact O-N 3.1Å; F90-F94 HydrophobicContact CB-CD2 4Å; F90-F94 HydrophobicContact CB-CE2 4.04Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CG-CE2 4.11Å; F90-F94 WeakPolarHBondContact O-CB 3.49Å; F90-F94 WeakPolarHBondContact O-CD2 3.03Å; F90-F94 WeakPolarHBondContact O-CG 3.42Å; F90-F94 PolarHBondContact O-N 2.89Å; F90-I102 HydrophobicContact CD2-CD1 4.02Å; F90-I102 HydrophobicContact CD2-CG1 4.17Å; F90-I102 HydrophobicContact CE2-CD1 4.37Å; F90-V109 HydrophobicContact CE1-CG1 4.07Å; F90-V109 HydrophobicContact CE1-CG2 4.35Å; F90-V109 HydrophobicContact CE2-CG1 4.22Å; F90-V109 HydrophobicContact CZ-CB 4.46Å; F90-V109 HydrophobicContact CZ-CG1 3.59Å; F90-V109 HydrophobicContact CZ-CG2 4.42Å; F90-L112 HydrophobicContact CD1-CD1 4.27Å; F90-L112 HydrophobicContact CE1-CB 4.5Å; F90-L112 HydrophobicContact CE1-CD1 4.35Å; F90-L113 HydrophobicContact CZ-CD1 4.39Å; F90-L113 HydrophobicContact CZ-CD2 4.03Å; F90-L113 HydrophobicContact CZ-CG 4.11Å
91Q92.6Very high94Very high73 Ų7338.6 Ų38.634%0.34122%0.215SC..Hα-helixtrans-63.7-39.4176.4-173.8161.916.900112.3H62 V87 D88 T89 G95 C97H62-Q91 PolarHBondContact CE1-OE1 3.46Å; V87-Q91 PolarHBondContact O-N 3.22Å; D88-Q91 PolarHBondContact O-N 2.87Å; T89-Q91 VanDerWaalsContact C-N 3.31Å; T89-Q91 PolarHBondContact O-N 2.85Å; Q91-G95 CarbonylContact O-C 3.59Å; Q91-G95 WeakPolarHBondContact O-CA 3.32Å; Q91-G95 PolarHBondContact O-N 3.12Å; Q91-C97 HydrophobicContact CB-CB 4.43Å
92D89.1Confident94.1Very high80 Ų8034.1 Ų34.143%0.42820%0.195SC..Hα-helixtrans-73.7-25.7178.9-169.824.8000113.3D88 T89 F90 S127 K131D88-D92 WeakPolarHBondContact O-CB 3.5Å; D88-D92 PolarHBondContact O-N 2.8Å; T89-D92 PolarHBondContact O-N 2.99Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-D92 PolarHBondContact O-N 3.1Å; D92-S127 WeakPolarHBondContact OD2-CB 3.39Å; D92-S127 PolarHBondContact OD2-OG 3.08Å; D92-K131 IonicContact OD1-NZ 3.15Å; D92-K131 PolarHBondContact OD1-NZ 3.38Å; D92-K131 VanDerWaalsContact OD2-CE 3.27Å; D92-K131 WeakPolarHBondContact OD2-CE 3.46Å; D92-K131 IonicContact OD2-NZ 2.89Å; D92-K131 PolarHBondContact OD2-NZ 3.4Å
93Y91.3Very high94.1Very high13 Ų1338.6 Ų38.65%0.05121%0.214CC..Hα-helixtrans-83.2-42.4175.8-91.1-111.3000113.6T89 F90 V108 L112 L130 K131 I134 P136T89-Y93 HydrophobicContact CG2-CD2 3.94Å; T89-Y93 HydrophobicContact CG2-CE2 3.94Å; T89-Y93 VanDerWaalsContact O-CD2 3.26Å; T89-Y93 WeakPolarHBondContact O-CD2 3.17Å; T89-Y93 PolarHBondContact O-N 3.37Å; F90-Y93 PolarHBondContact O-N 3.1Å; Y93-V108 HydrophobicContact CD1-CG1 4.13Å; Y93-V108 HydrophobicContact CE1-CG1 4.45Å; Y93-L112 HydrophobicContact CD1-CD1 3.87Å; Y93-L112 HydrophobicContact CD1-CD2 4.37Å; Y93-L112 HydrophobicContact CD2-CD1 4.3Å; Y93-L112 HydrophobicContact CE1-CD1 4.08Å; Y93-L112 HydrophobicContact CE1-CD2 3.75Å; Y93-L112 HydrophobicContact CE1-CG 4.35Å; Y93-L112 HydrophobicContact CE2-CD1 4.49Å; Y93-L112 HydrophobicContact CE2-CD2 3.91Å; Y93-L112 HydrophobicContact CG-CD1 3.96Å; Y93-L112 VanDerWaalsContact CZ-CD2 3.47Å; Y93-L112 WeakPolarHBondContact OH-CD2 3.34Å; Y93-L130 HydrophobicContact CE2-CB 4.32Å; Y93-L130 VanDerWaalsContact OH-CB 3.26Å; Y93-L130 WeakPolarHBondContact OH-CB 3.31Å; Y93-L130 PolarHBondContact OH-O 2.83Å; Y93-K131 HydrophobicContact CD2-CG 4.49Å; Y93-K131 HydrophobicContact CE1-CG 4.4Å; Y93-K131 HydrophobicContact CE2-CD 4.48Å; Y93-K131 HydrophobicContact CE2-CG 3.64Å; Y93-K131 WeakPolarHBondContact OH-CA 3.46Å; Y93-K131 PolarHBondContact OH-N 2.93Å; Y93-I134 HydrophobicContact CE1-CG2 4.35Å; Y93-I134 WeakPolarHBondContact CE1-O 3.41Å; Y93-I134 PolarHBondContact OH-O 2.88Å; Y93-P136 HydrophobicContact CD1-CB 4.14Å; Y93-P136 HydrophobicContact CD1-CG 4.04Å; Y93-P136 HydrophobicContact CE1-CB 4.45Å; Y93-P136 HydrophobicContact CE1-CG 3.98Å
94F91.4Very high93.9Very high32 Ų3244.9 Ų44.914%0.1425%0.248CC..Hα-helixtrans-108.1-3.8-170.3-47.1-49000112.8F90 V96 A101 N105 V108 V109 L112 P137F90-F94 HydrophobicContact CB-CD2 4Å; F90-F94 HydrophobicContact CB-CE2 4.04Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CG-CE2 4.11Å; F90-F94 WeakPolarHBondContact O-CB 3.49Å; F90-F94 WeakPolarHBondContact O-CD2 3.03Å; F90-F94 WeakPolarHBondContact O-CG 3.42Å; F90-F94 PolarHBondContact O-N 2.89Å; F94-V96 PolarHBondContact O-N 3.1Å; F94-A101 HydrophobicContact CB-CB 4.41Å; F94-N105 HydrophobicContact CD1-CB 3.88Å; F94-N105 HydrophobicContact CE1-CB 3.39Å; F94-N105 HydrophobicContact CE2-CB 4.45Å; F94-N105 HydrophobicContact CZ-CB 3.73Å; F94-V108 HydrophobicContact CE1-CB 4.37Å; F94-V108 HydrophobicContact CE1-CG1 4.04Å; F94-V108 HydrophobicContact CZ-CB 4.41Å; F94-V108 HydrophobicContact CZ-CG1 4.1Å; F94-V109 HydrophobicContact CE2-CG2 3.67Å; F94-V109 HydrophobicContact CZ-CG2 3.71Å; F94-L112 HydrophobicContact CZ-CD1 4.29Å; F94-P137 HydrophobicContact CD1-CG 4.05Å; F94-P137 HydrophobicContact CE1-CG 3.95Å
95G89.8Confident93.8Very high54 Ų5444.4 Ų44.456%0.55725%0.247SC*.SBendtrans76.6-26.8-17500000114Q91Q91-G95 CarbonylContact O-C 3.59Å; Q91-G95 WeakPolarHBondContact O-CA 3.32Å; Q91-G95 PolarHBondContact O-N 3.12Å
96V92Very high93.9Very high75 Ų7542.9 Ų42.946%0.45525%0.247SC..SBendtrans-139.3151.2177-63.10000110.1F94 T98 A101F94-V96 PolarHBondContact O-N 3.1Å; V96-T98 HydrophobicContact CB-CG2 4.31Å; V96-T98 HydrophobicContact CG2-CG2 4.29Å; V96-A101 HydrophobicContact CG2-CB 3.87Å
97C94.3Very high93.7Very high2 Ų247.5 Ų47.51%0.01428%0.276CS..  trans-110.880.9173.8-178.60000109.1H62 Q91H62-C97 WeakPolarHBondContact CB-O 3.25Å; Q91-C97 HydrophobicContact CB-CB 4.43Å
98T95.9Very high93.6Very high61 Ų6147.7 Ų47.737%0.37428%0.277SS..  trans-120.7159.6177.4650000110.7V96 A100 A101 I102V96-T98 HydrophobicContact CB-CG2 4.31Å; V96-T98 HydrophobicContact CG2-CG2 4.29Å; T98-A100 VanDerWaalsContact C-N 3.26Å; T98-A100 PolarHBondContact O-N 2.89Å; T98-A101 PolarHBondContact O-N 2.91Å; T98-A101 WeakPolarHBondContact OG1-CB 3.43Å; T98-A101 PolarHBondContact OG1-N 3.19Å; T98-I102 WeakPolarHBondContact O-CG1 3.39Å; T98-I102 PolarHBondContact O-N 2.72Å
99E95.5Very high93.7Very high58 Ų5845.6 Ų45.627%0.27127%0.266SS..Hα-helixtrans-54.9-43.4177.2-176.5-178.4159.200111.7N9 F15 I102 K103N9-E99 VanDerWaalsContact CB-OE2 3.25Å; N9-E99 WeakPolarHBondContact CB-OE2 3.49Å; N9-E99 PolarHBondContact ND2-OE2 3.05Å; F15-E99 HydrophobicContact CD1-CG 4.08Å; F15-E99 HydrophobicContact CD2-CG 3.94Å; F15-E99 HydrophobicContact CE1-CB 4.5Å; F15-E99 HydrophobicContact CE1-CG 4.13Å; F15-E99 HydrophobicContact CE2-CG 4Å; F15-E99 HydrophobicContact CG-CG 3.97Å; F15-E99 HydrophobicContact CZ-CB 4.31Å; F15-E99 HydrophobicContact CZ-CG 4.08Å; E99-I102 PolarHBondContact O-N 2.92Å; E99-K103 HydrophobicContact CG-CD 4.11Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 2.83Å; E99-K103 WeakPolarHBondContact OE1-CE 3.2Å; E99-K103 IonicContact OE1-NZ 2.8Å; E99-K103 PolarHBondContact OE1-NZ 2.9Å
100A95.3Very high93.8Very high57 Ų5749.6 Ų49.647%0.47128%0.281SS..Hα-helixtrans-61.3-50.517700000111.9T98 I102 K103 D104T98-A100 VanDerWaalsContact C-N 3.26Å; T98-A100 PolarHBondContact O-N 2.89Å; A100-I102 VanDerWaalsContact C-N 3.29Å; A100-I102 PolarHBondContact O-N 2.87Å; A100-K103 PolarHBondContact O-N 3.28Å; A100-D104 WeakPolarHBondContact O-CB 3.25Å; A100-D104 PolarHBondContact O-N 2.88Å
101A94.6Very high93.8Very high13 Ų1351.7 Ų51.711%0.10729%0.29CS..Hα-helixtrans-61.9-37-179.500000112.6F94 V96 T98 N105F94-A101 HydrophobicContact CB-CB 4.41Å; V96-A101 HydrophobicContact CG2-CB 3.87Å; T98-A101 PolarHBondContact O-N 2.91Å; T98-A101 WeakPolarHBondContact OG1-CB 3.43Å; T98-A101 PolarHBondContact OG1-N 3.19Å; A101-N105 PolarHBondContact O-N 3.12Å; A101-N105 PolarHBondContact O-ND2 3.34Å
102I95.9Very high93.9Very high0 Ų048.2 Ų48.20%027%0.274CS..Hα-helixtrans-68.5-44.4176.7-67169.6000110.7L7 F15 L16 I64 F90 T98 E99 A100 N105 V106 V109L7-I102 HydrophobicContact CD2-CD1 3.87Å; L7-I102 HydrophobicContact CD2-CG2 4.25Å; F15-I102 HydrophobicContact CE2-CB 4.22Å; F15-I102 HydrophobicContact CE2-CD1 4.45Å; F15-I102 HydrophobicContact CE2-CG2 3.86Å; F15-I102 HydrophobicContact CZ-CD1 4.3Å; L16-I102 HydrophobicContact CD1-CG2 3.81Å; I64-I102 HydrophobicContact CD1-CD1 4.11Å; F90-I102 HydrophobicContact CD2-CD1 4.02Å; F90-I102 HydrophobicContact CD2-CG1 4.17Å; F90-I102 HydrophobicContact CE2-CD1 4.37Å; T98-I102 WeakPolarHBondContact O-CG1 3.39Å; T98-I102 PolarHBondContact O-N 2.72Å; E99-I102 PolarHBondContact O-N 2.92Å; A100-I102 VanDerWaalsContact C-N 3.29Å; A100-I102 PolarHBondContact O-N 2.87Å; I102-N105 CarbonylContact O-C 3.42Å; I102-N105 PolarHBondContact O-N 2.85Å; I102-V106 WeakPolarHBondContact O-CA 3.45Å; I102-V106 PolarHBondContact O-N 2.8Å; I102-V106 VanDerWaalsContact O-N 3.11Å; I102-V109 HydrophobicContact CG2-CG1 4.35Å; I102-V109 HydrophobicContact CG2-CG2 4.09Å
103K95.3Very high94.3Very high101 Ų10144.4 Ų44.444%0.43925%0.254SS..Hα-helixtrans-64.7-43.1177.6-77.1179172.4175.80112.4F15 E99 A100 N105 V106F15-K103 HydrophobicContact CD2-CG 4.31Å; E99-K103 HydrophobicContact CG-CD 4.11Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 2.83Å; E99-K103 WeakPolarHBondContact OE1-CE 3.2Å; E99-K103 IonicContact OE1-NZ 2.8Å; E99-K103 PolarHBondContact OE1-NZ 2.9Å; A100-K103 PolarHBondContact O-N 3.28Å; K103-N105 PolarHBondContact O-N 2.86Å; K103-V106 PolarHBondContact O-N 3Å
104D93.9Very high94.4Very high133 Ų13348.4 Ų48.471%0.71127%0.273SS*.Hα-helixtrans-64.6-24.9179.2-69.2-15.3000112.3A100A100-D104 WeakPolarHBondContact O-CB 3.25Å; A100-D104 PolarHBondContact O-N 2.88Å
105N94.6Very high94.5Very high40 Ų4050.1 Ų50.121%0.21428%0.282CS..THydrogen-bonded Turntrans-116.927.6-178.6-61.3-81.5000112.9F94 A101 I102 K103 V107 V108 V109 P137F94-N105 HydrophobicContact CD1-CB 3.88Å; F94-N105 HydrophobicContact CE1-CB 3.39Å; F94-N105 HydrophobicContact CE2-CB 4.45Å; F94-N105 HydrophobicContact CZ-CB 3.73Å; A101-N105 PolarHBondContact O-N 3.12Å; A101-N105 PolarHBondContact O-ND2 3.34Å; I102-N105 CarbonylContact O-C 3.42Å; I102-N105 PolarHBondContact O-N 2.85Å; K103-N105 PolarHBondContact O-N 2.86Å; N105-V107 PolarHBondContact O-N 2.84Å; N105-V107 VanDerWaalsContact O-N 3.09Å; N105-V108 PolarHBondContact O-N 2.79Å; N105-V109 WeakPolarHBondContact O-CG2 3.34Å; N105-V109 PolarHBondContact O-N 2.89Å; N105-P137 VanDerWaalsContact OD1-CG 3.31Å; N105-P137 WeakPolarHBondContact OD1-CG 3.43Å
106V94.9Very high94.7Very high59 Ų5947.6 Ų47.636%0.35826%0.255SS..Hα-helixtrans-54.9-35.4-169.971.80000114.1L16 I102 K103 V109 Y110L16-V106 HydrophobicContact CD1-CG2 4.28Å; I102-V106 WeakPolarHBondContact O-CA 3.45Å; I102-V106 PolarHBondContact O-N 2.8Å; I102-V106 VanDerWaalsContact O-N 3.11Å; K103-V106 PolarHBondContact O-N 3Å; V106-V109 WeakPolarHBondContact O-CB 3.29Å; V106-V109 PolarHBondContact O-N 2.9Å; V106-Y110 HydrophobicContact CG2-CD2 3.85Å; V106-Y110 HydrophobicContact CG2-CE2 3.56Å; V106-Y110 WeakPolarHBondContact O-CD2 3.49Å; V106-Y110 PolarHBondContact O-N 2.84Å
107V93.3Very high94.8Very high98 Ų9844 Ų4459%0.59423%0.234SC*.Hα-helixtrans-63.2-51.3177.5178.40000110.7N105 V109 Y110 E111N105-V107 PolarHBondContact O-N 2.84Å; N105-V107 VanDerWaalsContact O-N 3.09Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 3.5Å; V107-Y110 PolarHBondContact O-N 2.8Å; V107-E111 WeakPolarHBondContact O-CG 3.39Å; V107-E111 PolarHBondContact O-N 2.85Å
108V93.3Very high94.6Very high4 Ų448.6 Ų48.62%0.02426%0.258CS..Hα-helixtrans-63.9-36178.4177.60000110.7Y93 F94 N105 E111 L112 I134 N152Y93-V108 HydrophobicContact CD1-CG1 4.13Å; Y93-V108 HydrophobicContact CE1-CG1 4.45Å; F94-V108 HydrophobicContact CE1-CB 4.37Å; F94-V108 HydrophobicContact CE1-CG1 4.04Å; F94-V108 HydrophobicContact CZ-CB 4.41Å; F94-V108 HydrophobicContact CZ-CG1 4.1Å; N105-V108 PolarHBondContact O-N 2.79Å; V108-E111 PolarHBondContact O-N 2.8Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.25Å; V108-L112 WeakPolarHBondContact O-CB 3.49Å; V108-L112 WeakPolarHBondContact O-CG 3.23Å; V108-L112 PolarHBondContact O-N 2.94Å; V108-I134 HydrophobicContact CG1-CG2 3.9Å; V108-N152 WeakPolarHBondContact CG2-ND2 3.32Å
109V96.3Very high94.2Very high0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-59.6-47.2174.4168.30000111.2L16 F90 F94 I102 N105 V106 V107 L112 L113L16-V109 HydrophobicContact CD1-CG1 3.65Å; F90-V109 HydrophobicContact CE1-CG1 4.07Å; F90-V109 HydrophobicContact CE1-CG2 4.35Å; F90-V109 HydrophobicContact CE2-CG1 4.22Å; F90-V109 HydrophobicContact CZ-CB 4.46Å; F90-V109 HydrophobicContact CZ-CG1 3.59Å; F90-V109 HydrophobicContact CZ-CG2 4.42Å; F94-V109 HydrophobicContact CE2-CG2 3.67Å; F94-V109 HydrophobicContact CZ-CG2 3.71Å; I102-V109 HydrophobicContact CG2-CG1 4.35Å; I102-V109 HydrophobicContact CG2-CG2 4.09Å; N105-V109 WeakPolarHBondContact O-CG2 3.34Å; N105-V109 PolarHBondContact O-N 2.89Å; V106-V109 WeakPolarHBondContact O-CB 3.29Å; V106-V109 PolarHBondContact O-N 2.9Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 3.5Å; V109-L112 PolarHBondContact O-N 2.75Å; V109-L113 HydrophobicContact CG1-CD1 3.99Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 WeakPolarHBondContact O-CB 3.38Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.38Å; V109-L113 PolarHBondContact O-N 2.76Å
110Y96.3Very high93.8Very high88 Ų8847 Ų4735%0.34525%0.249SC..Hα-helixtrans-66-41.1177.1-80.8-64.1000112.6E17 K18 V106 V107 L112 L113 E114E17-Y110 WeakPolarHBondContact O-CE1 3.38Å; E17-Y110 PolarHBondContact O-OH 2.89Å; K18-Y110 HydrophobicContact CB-CE1 4.17Å; K18-Y110 HydrophobicContact CD-CD1 3.91Å; K18-Y110 HydrophobicContact CD-CE1 4.03Å; V106-Y110 HydrophobicContact CG2-CD2 3.85Å; V106-Y110 HydrophobicContact CG2-CE2 3.56Å; V106-Y110 WeakPolarHBondContact O-CD2 3.49Å; V106-Y110 PolarHBondContact O-N 2.84Å; V107-Y110 PolarHBondContact O-N 2.8Å; Y110-L112 VanDerWaalsContact C-N 3.33Å; Y110-L112 PolarHBondContact O-N 2.88Å; Y110-L113 PolarHBondContact O-N 3.47Å; Y110-E114 WeakPolarHBondContact O-CB 3.22Å; Y110-E114 PolarHBondContact O-N 2.91Å
111E94.4Very high93.5Very high44 Ų4449.3 Ų49.321%0.20625%0.248CC..Hα-helixtrans-56.7-48173.5-69.2172.6161.700110.5V107 V108 E114 E115 I134 V153V107-E111 WeakPolarHBondContact O-CG 3.39Å; V107-E111 PolarHBondContact O-N 2.85Å; V108-E111 PolarHBondContact O-N 2.8Å; E111-E114 PolarHBondContact O-N 3.01Å; E111-E115 PolarHBondContact O-N 2.92Å; E111-I134 HydrophobicContact CB-CD1 3.72Å; E111-I134 HydrophobicContact CB-CG1 4.11Å; E111-I134 HydrophobicContact CB-CG2 4.21Å; E111-I134 WeakPolarHBondContact O-CD1 3.4Å; E111-V153 WeakPolarHBondContact OE1-CG2 3.12Å
112L95.4Very high93.4Very high0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-62.7-46.5179.2-72.4168.8000111.9T89 F90 Y93 F94 V108 V109 Y110 E114 E115 M116 L130 I134T89-L112 HydrophobicContact CG2-CD1 4.26Å; T89-L112 HydrophobicContact CG2-CD2 4.17Å; F90-L112 HydrophobicContact CD1-CD1 4.27Å; F90-L112 HydrophobicContact CE1-CB 4.5Å; F90-L112 HydrophobicContact CE1-CD1 4.35Å; Y93-L112 HydrophobicContact CD1-CD1 3.87Å; Y93-L112 HydrophobicContact CD1-CD2 4.37Å; Y93-L112 HydrophobicContact CD2-CD1 4.3Å; Y93-L112 HydrophobicContact CE1-CD1 4.08Å; Y93-L112 HydrophobicContact CE1-CD2 3.75Å; Y93-L112 HydrophobicContact CE1-CG 4.35Å; Y93-L112 HydrophobicContact CE2-CD1 4.49Å; Y93-L112 HydrophobicContact CE2-CD2 3.91Å; Y93-L112 HydrophobicContact CG-CD1 3.96Å; Y93-L112 VanDerWaalsContact CZ-CD2 3.47Å; Y93-L112 WeakPolarHBondContact OH-CD2 3.34Å; F94-L112 HydrophobicContact CZ-CD1 4.29Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.25Å; V108-L112 WeakPolarHBondContact O-CB 3.49Å; V108-L112 WeakPolarHBondContact O-CG 3.23Å; V108-L112 PolarHBondContact O-N 2.94Å; V109-L112 PolarHBondContact O-N 2.75Å; Y110-L112 VanDerWaalsContact C-N 3.33Å; Y110-L112 PolarHBondContact O-N 2.88Å; L112-E114 VanDerWaalsContact C-N 3.25Å; L112-E114 PolarHBondContact O-N 2.81Å; L112-E115 PolarHBondContact O-N 3.49Å; L112-M116 VanDerWaalsContact O-CB 3.26Å; L112-M116 WeakPolarHBondContact O-CB 3.36Å; L112-M116 WeakPolarHBondContact O-CG 3.4Å; L112-M116 PolarHBondContact O-N 2.78Å; L112-L130 HydrophobicContact CD2-CB 4.23Å; L112-L130 HydrophobicContact CD2-CD1 4.46Å; L112-L130 HydrophobicContact CD2-CD2 4.44Å; L112-I134 HydrophobicContact CD2-CB 4.25Å; L112-I134 HydrophobicContact CD2-CD1 3.83Å; L112-I134 HydrophobicContact CD2-CG2 4.35Å; L112-I134 HydrophobicContact CG-CD1 4.18Å; L112-I134 HydrophobicContact CG-CG2 4.45Å
113L96.3Very high93Very high0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-63.5-31.7179.5-73.9178.7000112.6L5 L16 K18 W20 V86 F90 V109 Y110 L117L5-L113 HydrophobicContact CD2-CD1 4.34Å; L5-L113 HydrophobicContact CD2-CD2 3.83Å; L16-L113 HydrophobicContact CD2-CD1 4.18Å; K18-L113 HydrophobicContact CB-CD1 4.11Å; K18-L113 HydrophobicContact CG-CB 4.42Å; K18-L113 HydrophobicContact CG-CD1 4.47Å; W20-L113 HydrophobicContact CZ2-CB 3.93Å; W20-L113 HydrophobicContact CZ2-CD2 4.35Å; W20-L113 WeakPolarHBondContact CZ2-O 3.4Å; W20-L113 PolarHBondContact NE1-O 3.02Å; V86-L113 HydrophobicContact CG1-CD2 3.79Å; V86-L113 HydrophobicContact CG2-CD2 4.18Å; F90-L113 HydrophobicContact CZ-CD1 4.39Å; F90-L113 HydrophobicContact CZ-CD2 4.03Å; F90-L113 HydrophobicContact CZ-CG 4.11Å; V109-L113 HydrophobicContact CG1-CD1 3.99Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 WeakPolarHBondContact O-CB 3.38Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.38Å; V109-L113 PolarHBondContact O-N 2.76Å; Y110-L113 PolarHBondContact O-N 3.47Å; L113-L117 PolarHBondContact O-N 2.67Å
114E93.8Very high92.5Very high97 Ų9751.4 Ų51.445%0.45327%0.266SS..Hα-helixtrans-70.2-47174.3-161.968.9-170.700111.3K18 Y110 E111 L112 M116 L117K18-E114 WeakPolarHBondContact CE-OE2 3.37Å; K18-E114 IonicContact NZ-OE2 3.44Å; K18-E114 PolarHBondContact NZ-OE2 3.23Å; Y110-E114 WeakPolarHBondContact O-CB 3.22Å; Y110-E114 PolarHBondContact O-N 2.91Å; E111-E114 PolarHBondContact O-N 3.01Å; L112-E114 VanDerWaalsContact C-N 3.25Å; L112-E114 PolarHBondContact O-N 2.81Å; E114-M116 PolarHBondContact O-N 2.82Å; E114-L117 CarbonylContact O-C 3.57Å; E114-L117 PolarHBondContact O-N 3.05Å; E114-L117 VanDerWaalsContact O-O 3.11Å
115E92.7Very high92.2Very high69 Ų6947.1 Ų47.132%0.32224%0.244SC..Hα-helixtrans-69.9-32.7179.7-70.7-59.8146.200113.2E111 L112 L117 A124 L130 I134E111-E115 PolarHBondContact O-N 2.92Å; L112-E115 PolarHBondContact O-N 3.49Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 2.78Å; E115-A124 PolarHBondContact O-N 2.85Å; E115-L130 HydrophobicContact CB-CD2 3.94Å; E115-I134 HydrophobicContact CB-CD1 4.02Å; E115-I134 HydrophobicContact CG-CD1 3.53Å; E115-I134 HydrophobicContact CG-CG1 4.32Å
116M94.6Very high91.9Very high0 Ų047.5 Ų47.50%025%0.245CC..Hα-helixtrans-71.9-26.1179.9-74.1-17881.900113.1F82 R85 V86 T89 L112 E114 P122 L123 A124 T125 L130F82-M116 HydrophobicContact CE2-CB 4.19Å; F82-M116 HydrophobicContact CE2-CE 4.48Å; F82-M116 HydrophobicContact CZ-CB 4.48Å; R85-M116 HydrophobicContact CB-CE 4.35Å; V86-M116 HydrophobicContact CB-CE 4.49Å; V86-M116 HydrophobicContact CG2-CE 3.88Å; V86-M116 HydrophobicContact CG2-SD 4.19Å; T89-M116 HydrophobicContact CG2-SD 4.06Å; L112-M116 VanDerWaalsContact O-CB 3.26Å; L112-M116 WeakPolarHBondContact O-CB 3.36Å; L112-M116 WeakPolarHBondContact O-CG 3.4Å; L112-M116 PolarHBondContact O-N 2.78Å; E114-M116 PolarHBondContact O-N 2.82Å; M116-P122 WeakPolarHBondContact O-CA 3.25Å; M116-L123 PolarHBondContact O-N 3.09Å; M116-A124 WeakPolarHBondContact CA-O 3.47Å; M116-A124 WeakPolarHBondContact CG-O 3.5Å; M116-T125 HydrophobicContact CE-CG2 4.21Å; M116-L130 HydrophobicContact CG-CD1 3.79Å; M116-L130 HydrophobicContact CG-CD2 4.1Å; M116-L130 HydrophobicContact SD-CD1 4.18Å
117L93.8Very high91.4Very high0 Ų045.8 Ų45.80%024%0.236CC..EExtended strand (participates in β ladder)trans-144.1114.2-170.6-164.987000111.6I2 W20 F82 L113 E114 E115 F121 P122I2-L117 HydrophobicContact CB-CD2 4.05Å; I2-L117 HydrophobicContact CD1-CD1 4.07Å; I2-L117 HydrophobicContact CG2-CD2 4.09Å; W20-L117 HydrophobicContact CD2-CD2 3.39Å; W20-L117 HydrophobicContact CD2-CG 4.47Å; W20-L117 VanDerWaalsContact CE2-CD2 3.42Å; W20-L117 HydrophobicContact CE3-CD2 3.62Å; W20-L117 HydrophobicContact CG-CD2 3.83Å; W20-L117 HydrophobicContact CH2-CD2 3.9Å; W20-L117 HydrophobicContact CZ2-CB 4.1Å; W20-L117 HydrophobicContact CZ2-CD2 3.67Å; W20-L117 HydrophobicContact CZ3-CD2 3.86Å; W20-L117 PolarHBondContact NE1-O 2.95Å; W20-L117 VanDerWaalsContact NE1-O 3.12Å; F82-L117 HydrophobicContact CD1-CD1 4.49Å; F82-L117 HydrophobicContact CD2-CD1 4.35Å; F82-L117 HydrophobicContact CE1-CD1 3.98Å; F82-L117 HydrophobicContact CE1-CD2 4.46Å; F82-L117 HydrophobicContact CE2-CB 4.26Å; F82-L117 HydrophobicContact CE2-CD1 3.81Å; F82-L117 HydrophobicContact CZ-CB 3.84Å; F82-L117 HydrophobicContact CZ-CD1 3.62Å; F82-L117 HydrophobicContact CZ-CD2 4.35Å; F82-L117 HydrophobicContact CZ-CG 4.16Å; L113-L117 PolarHBondContact O-N 2.67Å; E114-L117 CarbonylContact O-C 3.57Å; E114-L117 PolarHBondContact O-N 3.05Å; E114-L117 VanDerWaalsContact O-O 3.11Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 2.78Å; L117-F121 WeakPolarHBondContact CA-O 3.26Å; L117-P122 HydrophobicContact CD1-CB 4.39Å; L117-P122 HydrophobicContact CD1-CG 3.78Å; L117-P122 VanDerWaalsContact CD1-N 3.34Å
118D89.7Confident91Very high99 Ų9941.8 Ų41.853%0.52921%0.211SC..EExtended strand (participates in β ladder)trans-107125.5176.8-178.615.7000110.7G120 F121 L123D118-G120 PolarHBondContact O-N 3Å; D118-F121 PolarHBondContact N-O 2.87Å; D118-F121 PolarHBondContact O-N 3.33Å; D118-L123 HydrophobicContact CB-CD2 4.42Å
119N88.3Confident90.6Very high85 Ų8541.9 Ų41.946%0.45521%0.211SC..THydrogen-bonded Turntrans47.732.3-178.3-166.513.9000113.7K21 F121K21-N119 WeakPolarHBondContact CE-O 3.33Å; K21-N119 WeakPolarHBondContact CE-OD1 3.42Å; K21-N119 WeakPolarHBondContact CG-OD1 3.39Å; N119-F121 WeakPolarHBondContact O-CD2 3.43Å
120G87.1Confident90.2Very high0 Ų041.9 Ų41.90%021%0.211CC..THydrogen-bonded Turntrans80.117.4-178.100000115.8M1 I2 D118M1-G120 CarbonylContact C-O 3.57Å; M1-G120 WeakPolarHBondContact CA-O 3.47Å; M1-G120 WeakPolarHBondContact CB-O 3.27Å; M1-G120 PolarHBondContact N-O 3.04Å; I2-G120 PolarHBondContact N-O 2.83Å; I2-G120 WeakPolarHBondContact O-CA 3.44Å; D118-G120 PolarHBondContact O-N 3Å
121F90.2Very high89.7Confident105 Ų10539.5 Ų39.546%0.46120%0.202SC..EExtended strand (participates in β ladder)trans-118.3129174.1-65.8-87.7000109.8M1 L117 D118 N119 L123M1-F121 HydrophobicContact CB-CD1 4.11Å; M1-F121 HydrophobicContact CB-CE1 3.89Å; M1-F121 HydrophobicContact CB-CZ 4.23Å; M1-F121 HydrophobicContact CE-CD1 4.17Å; M1-F121 HydrophobicContact CE-CE1 3.97Å; L117-F121 WeakPolarHBondContact CA-O 3.26Å; D118-F121 PolarHBondContact N-O 2.87Å; D118-F121 PolarHBondContact O-N 3.33Å; N119-F121 WeakPolarHBondContact O-CD2 3.43Å; F121-L123 PolarHBondContact O-N 2.86Å
122P91.6Very high89.1Confident41 Ų4139.3 Ų39.327%0.26620%0.202SC..EExtended strand (participates in β ladder)trans-57.6130.9175.2-28.536.8000112.1F78 F82 M116 L117 T125F78-P122 VanDerWaalsContact CE1-CD 3.49Å; F78-P122 HydrophobicContact CE1-CG 3.55Å; F78-P122 HydrophobicContact CZ-CB 4.27Å; F78-P122 HydrophobicContact CZ-CG 3.5Å; F82-P122 HydrophobicContact CB-CG 4.26Å; F82-P122 HydrophobicContact CD2-CB 3.88Å; F82-P122 HydrophobicContact CD2-CG 3.6Å; F82-P122 HydrophobicContact CE2-CB 4.28Å; F82-P122 HydrophobicContact CE2-CG 4.19Å; F82-P122 HydrophobicContact CG-CG 4.01Å; M116-P122 WeakPolarHBondContact O-CA 3.25Å; L117-P122 HydrophobicContact CD1-CB 4.39Å; L117-P122 HydrophobicContact CD1-CG 3.78Å; L117-P122 VanDerWaalsContact CD1-N 3.34Å; P122-T125 HydrophobicContact CB-CG2 4.34Å
123L86.8Confident88.5Confident109 Ų10940.1 Ų40.157%0.57121%0.206SC*.  trans-117.6-81.2-178.8-176.270.4000111M116 D118 F121M116-L123 PolarHBondContact O-N 3.09Å; D118-L123 HydrophobicContact CB-CD2 4.42Å; F121-L123 PolarHBondContact O-N 2.86Å
124A85.7Confident88.1Confident9 Ų940.3 Ų40.37%0.07421%0.207CC..  trans-105.199.4-178.500000111E115 M116 L130E115-A124 PolarHBondContact O-N 2.85Å; M116-A124 WeakPolarHBondContact CA-O 3.47Å; M116-A124 WeakPolarHBondContact CG-O 3.5Å; A124-L130 HydrophobicContact CB-CD2 4.27Å; A124-L130 WeakPolarHBondContact O-CD2 3.41Å
125T88.1Confident87.7Confident42 Ų4239.9 Ų39.926%0.25820%0.204SC..  trans-109.4-1.2-179.756.30000113.7F82 M116 P122 S127F82-T125 HydrophobicContact CD2-CG2 4.33Å; F82-T125 HydrophobicContact CE2-CG2 4.42Å; M116-T125 HydrophobicContact CE-CG2 4.21Å; P122-T125 HydrophobicContact CB-CG2 4.34Å; T125-S127 PolarHBondContact O-N 2.6Å
126E87.3Confident87.3Confident49 Ų4938.3 Ų38.323%0.22920%0.199CC..  trans-79.9115.5178.2-69.5-63.3159.800110.7N128 I129 L130 P166 W167E126-N128 VanDerWaalsContact C-N 3.26Å; E126-N128 PolarHBondContact O-N 3.49Å; E126-I129 HydrophobicContact CB-CB 4.26Å; E126-I129 HydrophobicContact CB-CG1 4.02Å; E126-I129 WeakPolarHBondContact O-CB 3.46Å; E126-I129 PolarHBondContact O-N 2.64Å; E126-L130 PolarHBondContact O-N 2.89Å; E126-P166 HydrophobicContact CG-CB 4.39Å; E126-W167 WeakPolarHBondContact OE2-CB 3.49Å
127S85.6Confident86.5Confident23 Ų2339.5 Ų39.516%0.16121%0.207CC..Hα-helixtrans-55.9-39.9-175.11790000113.2D92 T125 I129 L130 K131D92-S127 WeakPolarHBondContact OD2-CB 3.39Å; D92-S127 PolarHBondContact OD2-OG 3.08Å; T125-S127 PolarHBondContact O-N 2.6Å; S127-I129 VanDerWaalsContact C-N 3.29Å; S127-I129 PolarHBondContact O-N 2.89Å; S127-L130 PolarHBondContact O-N 2.97Å; S127-K131 WeakPolarHBondContact O-CB 3.28Å; S127-K131 VanDerWaalsContact O-CG 3.26Å; S127-K131 WeakPolarHBondContact O-CG 3.33Å; S127-K131 PolarHBondContact O-N 2.74Å; S127-K131 WeakPolarHBondContact OG-CE 3.3Å
128N83.4Confident85.6Confident14 Ų1443.2 Ų43.28%0.07523%0.23CC..Hα-helixtrans-63.2-34.8179.1-82.1-31.6000112.8E126 W167 R169 D254E126-N128 VanDerWaalsContact C-N 3.26Å; E126-N128 PolarHBondContact O-N 3.49Å; N128-W167 PolarHBondContact ND2-O 3Å; N128-R169 HydrophobicContact CB-CG 4.13Å; N128-R169 WeakPolarHBondContact O-CD 3.35Å; N128-D254 PolarHBondContact ND2-N 2.95Å; N128-D254 VanDerWaalsContact ND2-N 3.17Å; N128-D254 PolarHBondContact ND2-O 2.99Å
129I84.7Confident84.5Confident5 Ų545.8 Ų45.83%0.02624%0.242CC..Hα-helixtrans-72.9-46.6174.4-63.3-59.2000110.2E126 S127 K131 E132 L133 P158 Q161 P166E126-I129 HydrophobicContact CB-CB 4.26Å; E126-I129 HydrophobicContact CB-CG1 4.02Å; E126-I129 WeakPolarHBondContact O-CB 3.46Å; E126-I129 PolarHBondContact O-N 2.64Å; S127-I129 VanDerWaalsContact C-N 3.29Å; S127-I129 PolarHBondContact O-N 2.89Å; I129-K131 PolarHBondContact O-N 3.32Å; I129-E132 WeakPolarHBondContact O-CB 3.45Å; I129-E132 PolarHBondContact O-N 3.08Å; I129-L133 HydrophobicContact CG2-CD1 4.08Å; I129-L133 PolarHBondContact O-N 2.82Å; I129-P158 HydrophobicContact CD1-CB 4.34Å; I129-P158 HydrophobicContact CG2-CB 4.2Å; I129-P158 HydrophobicContact CG2-CG 4.07Å; I129-Q161 HydrophobicContact CG2-CG 4.24Å; I129-P166 WeakPolarHBondContact CD1-O 3.28Å; I129-P166 WeakPolarHBondContact CG1-O 3.43Å
130L88.1Confident83.2Confident0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-54.7-42.9176.6-69.7172.1000110.1T89 Y93 L112 E115 M116 A124 E126 S127 E132 L133 I134T89-L130 HydrophobicContact CG2-CD1 3.75Å; Y93-L130 HydrophobicContact CE2-CB 4.32Å; Y93-L130 VanDerWaalsContact OH-CB 3.26Å; Y93-L130 WeakPolarHBondContact OH-CB 3.31Å; Y93-L130 PolarHBondContact OH-O 2.83Å; L112-L130 HydrophobicContact CD2-CB 4.23Å; L112-L130 HydrophobicContact CD2-CD1 4.46Å; L112-L130 HydrophobicContact CD2-CD2 4.44Å; E115-L130 HydrophobicContact CB-CD2 3.94Å; M116-L130 HydrophobicContact CG-CD1 3.79Å; M116-L130 HydrophobicContact CG-CD2 4.1Å; M116-L130 HydrophobicContact SD-CD1 4.18Å; A124-L130 HydrophobicContact CB-CD2 4.27Å; A124-L130 WeakPolarHBondContact O-CD2 3.41Å; E126-L130 PolarHBondContact O-N 2.89Å; S127-L130 PolarHBondContact O-N 2.97Å; L130-E132 PolarHBondContact O-N 2.99Å; L130-L133 PolarHBondContact O-N 2.91Å; L130-L133 VanDerWaalsContact O-N 3.1Å; L130-I134 CarbonylContact O-C 3.59Å; L130-I134 PolarHBondContact O-N 3.4Å; L130-I134 VanDerWaalsContact O-O 3.11Å
131K86Confident82.2Confident38 Ų3851.1 Ų51.117%0.16527%0.266CS..Hα-helixtrans-68.5-16.1-178.2-74.1176172.9171.50114.1D92 Y93 S127 I129 I134 P136D92-K131 IonicContact OD1-NZ 3.15Å; D92-K131 PolarHBondContact OD1-NZ 3.38Å; D92-K131 VanDerWaalsContact OD2-CE 3.27Å; D92-K131 WeakPolarHBondContact OD2-CE 3.46Å; D92-K131 IonicContact OD2-NZ 2.89Å; D92-K131 PolarHBondContact OD2-NZ 3.4Å; Y93-K131 HydrophobicContact CD2-CG 4.49Å; Y93-K131 HydrophobicContact CE1-CG 4.4Å; Y93-K131 HydrophobicContact CE2-CD 4.48Å; Y93-K131 HydrophobicContact CE2-CG 3.64Å; Y93-K131 WeakPolarHBondContact OH-CA 3.46Å; Y93-K131 PolarHBondContact OH-N 2.93Å; S127-K131 WeakPolarHBondContact O-CB 3.28Å; S127-K131 VanDerWaalsContact O-CG 3.26Å; S127-K131 WeakPolarHBondContact O-CG 3.33Å; S127-K131 PolarHBondContact O-N 2.74Å; S127-K131 WeakPolarHBondContact OG-CE 3.3Å; I129-K131 PolarHBondContact O-N 3.32Å; K131-I134 WeakPolarHBondContact CA-O 3.33Å; K131-P136 HydrophobicContact CB-CG 4.46Å; K131-P136 HydrophobicContact CD-CG 4.08Å; K131-P136 HydrophobicContact CG-CG 3.76Å
132E81.5Confident80.9Confident41 Ų4149.7 Ų49.719%0.19227%0.266CS..Hα-helixtrans-81.6-44.1168.8-67.6-171.4161.600111.3I129 L130 P158 R169I129-E132 WeakPolarHBondContact O-CB 3.45Å; I129-E132 PolarHBondContact O-N 3.08Å; L130-E132 PolarHBondContact O-N 2.99Å; E132-P158 HydrophobicContact CB-CB 4.4Å; E132-P158 HydrophobicContact CB-CG 4.13Å; E132-P158 WeakPolarHBondContact OE2-CA 2.95Å; E132-P158 VanDerWaalsContact OE2-CB 3.26Å; E132-P158 WeakPolarHBondContact OE2-CB 3.3Å; E132-R169 HydrophobicContact CG-CG 3.99Å; E132-R169 WeakPolarHBondContact OE1-CB 3.41Å; E132-R169 WeakPolarHBondContact OE1-CD 3.5Å; E132-R169 WeakPolarHBondContact OE1-CG 3.47Å
133L84.1Confident79.5Confident17 Ų1751.5 Ų51.59%0.08928%0.276CS..Hα-helixtrans-67.7-48.1178.8-70.7167.3000112.3I129 L130 V153 G154 P158I129-L133 HydrophobicContact CG2-CD1 4.08Å; I129-L133 PolarHBondContact O-N 2.82Å; L130-L133 PolarHBondContact O-N 2.91Å; L130-L133 VanDerWaalsContact O-N 3.1Å; L133-V153 CarbonylContact O-C 3.59Å; L133-V153 WeakPolarHBondContact O-CA 3.36Å; L133-G154 PolarHBondContact O-N 2.8Å; L133-P158 HydrophobicContact CD1-CG 4.08Å; L133-P158 HydrophobicContact CD2-CG 3.49Å; L133-P158 VanDerWaalsContact CD2-CG 3.49Å; L133-P158 HydrophobicContact CG-CG 3.42Å; L133-P158 VanDerWaalsContact CG-CG 3.42Å
134I88.2Confident78.4Confident4 Ų450 Ų502%0.02127%0.271CS..BIsolated β-bridgetrans-129.698.9-174.5-58.5159.3000105.6Y93 V108 E111 L112 E115 L130 K131Y93-I134 HydrophobicContact CE1-CG2 4.35Å; Y93-I134 WeakPolarHBondContact CE1-O 3.41Å; Y93-I134 PolarHBondContact OH-O 2.88Å; V108-I134 HydrophobicContact CG1-CG2 3.9Å; E111-I134 HydrophobicContact CB-CD1 3.72Å; E111-I134 HydrophobicContact CB-CG1 4.11Å; E111-I134 HydrophobicContact CB-CG2 4.21Å; E111-I134 WeakPolarHBondContact O-CD1 3.4Å; L112-I134 HydrophobicContact CD2-CB 4.25Å; L112-I134 HydrophobicContact CD2-CD1 3.83Å; L112-I134 HydrophobicContact CD2-CG2 4.35Å; L112-I134 HydrophobicContact CG-CD1 4.18Å; L112-I134 HydrophobicContact CG-CG2 4.45Å; E115-I134 HydrophobicContact CB-CD1 4.02Å; E115-I134 HydrophobicContact CG-CD1 3.53Å; E115-I134 HydrophobicContact CG-CG1 4.32Å; L130-I134 CarbonylContact O-C 3.59Å; L130-I134 PolarHBondContact O-N 3.4Å; L130-I134 VanDerWaalsContact O-O 3.11Å; K131-I134 WeakPolarHBondContact CA-O 3.33Å
135K85.1Confident77.7Confident88 Ų8850.6 Ų50.638%0.38327%0.273SS..PPolyproline II helixtrans-77139.4-172.9-55.4-167.5-162.7156.10109.9N152K135-N152 PolarHBondContact N-O 2.86Å
136P83.9Confident76.6Confident35 Ų3554.2 Ų54.223%0.22730%0.295CS..PPolyproline II helixtrans-56.7142.5-177.2-28.434.8000113.7Y93 K131 T138Y93-P136 HydrophobicContact CD1-CB 4.14Å; Y93-P136 HydrophobicContact CD1-CG 4.04Å; Y93-P136 HydrophobicContact CE1-CB 4.45Å; Y93-P136 HydrophobicContact CE1-CG 3.98Å; K131-P136 HydrophobicContact CB-CG 4.46Å; K131-P136 HydrophobicContact CD-CG 4.08Å; K131-P136 HydrophobicContact CG-CG 3.76Å; P136-T138 PolarHBondContact O-N 2.71Å
137P77.4Confident75.6Confident26 Ų2658.2 Ų58.217%0.16932%0.317CS..PPolyproline II helixtrans-68.1125.7174.827.7-31.2000109.4F94 N105F94-P137 HydrophobicContact CD1-CG 4.05Å; F94-P137 HydrophobicContact CE1-CG 3.95Å; N105-P137 VanDerWaalsContact OD1-CG 3.31Å; N105-P137 WeakPolarHBondContact OD1-CG 3.43Å
138T74.5Confident74.9Confident78 Ų7861.2 Ų61.248%0.47933%0.334SS..  trans-126.3150.7171.357.60000109P136 L140 R141 T142P136-T138 PolarHBondContact O-N 2.71Å; T138-L140 VanDerWaalsContact C-N 3.27Å; T138-L140 PolarHBondContact O-N 3.22Å; T138-R141 CarbonylContact O-C 3.53Å; T138-R141 WeakPolarHBondContact O-CA 3.25Å; T138-R141 WeakPolarHBondContact O-CB 3.1Å; T138-R141 PolarHBondContact O-N 3.27Å; T138-R141 VanDerWaalsContact OG1-CB 3.3Å; T138-R141 WeakPolarHBondContact OG1-CB 3.42Å; T138-T142 PolarHBondContact O-N 2.81Å; T138-T142 PolarHBondContact O-OG1 2.98Å
139I67.9Low74.2Confident152 Ų15263.9 Ų63.978%0.77937%0.365SS*.Hα-helixtrans-51.3-47.1-175.6-63.3169.1000111.6R141 T142 V143I139-R141 VanDerWaalsContact C-N 3.25Å; I139-R141 PolarHBondContact O-N 3.29Å; I139-T142 PolarHBondContact O-N 2.84Å; I139-V143 WeakPolarHBondContact O-CG2 3.49Å; I139-V143 PolarHBondContact O-N 2.8Å
140L60.6Low73.6Confident144 Ų14466.2 Ų66.275%0.75438%0.382SS*.Hα-helixtrans-61.1-37178.1-70.8171.4000112T138 V144T138-L140 VanDerWaalsContact C-N 3.27Å; T138-L140 PolarHBondContact O-N 3.22Å; L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 2.88Å
141R64.9Low72.9Confident53 Ų5370.5 Ų70.520%0.241%0.408CS..Hα-helixtrans-77.5-37.7-178.7-171.6167.4-171.2178.4-12.3113.4T138 I139 V143 V144 N145 N152T138-R141 CarbonylContact O-C 3.53Å; T138-R141 WeakPolarHBondContact O-CA 3.25Å; T138-R141 WeakPolarHBondContact O-CB 3.1Å; T138-R141 PolarHBondContact O-N 3.27Å; T138-R141 VanDerWaalsContact OG1-CB 3.3Å; T138-R141 WeakPolarHBondContact OG1-CB 3.42Å; I139-R141 VanDerWaalsContact C-N 3.25Å; I139-R141 PolarHBondContact O-N 3.29Å; R141-V143 PolarHBondContact O-N 3.36Å; R141-V144 PolarHBondContact O-N 2.86Å; R141-V144 VanDerWaalsContact O-N 3.11Å; R141-N145 WeakPolarHBondContact CG-OD1 3.23Å; R141-N145 WeakPolarHBondContact O-CB 3.39Å; R141-N145 VanDerWaalsContact O-CG 3.29Å; R141-N145 PolarHBondContact O-N 2.65Å; R141-N145 PolarHBondContact O-OD1 2.79Å; R141-N152 PolarHBondContact NH2-O 3.17Å
142T63.4Low72.2Confident75 Ų7569.7 Ų69.746%0.4641%0.406SS..Hα-helixtrans-56.7-38.4173.2-51.90000110.4T138 I139 T146T138-T142 PolarHBondContact O-N 2.81Å; T138-T142 PolarHBondContact O-OG1 2.98Å; I139-T142 PolarHBondContact O-N 2.84Å; T142-T146 WeakPolarHBondContact O-CB 3.32Å; T142-T146 PolarHBondContact O-N 3.23Å; T142-T146 VanDerWaalsContact O-N 3.14Å; T142-T146 PolarHBondContact O-OG1 2.99Å
143V62.7Low71.9Confident80 Ų8071.1 Ų71.149%0.48542%0.417SS..Hα-helixtrans-68.3-46.6174.6176.60000111.5I139 R141 N145 T146 I147I139-V143 WeakPolarHBondContact O-CG2 3.49Å; I139-V143 PolarHBondContact O-N 2.8Å; R141-V143 PolarHBondContact O-N 3.36Å; V143-N145 PolarHBondContact O-N 3.08Å; V143-T146 PolarHBondContact O-N 3.02Å; V143-I147 HydrophobicContact CG1-CD1 3.7Å; V143-I147 WeakPolarHBondContact O-CD1 3.41Å; V143-I147 VanDerWaalsContact O-CG1 3.27Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 2.94Å; V143-I147 VanDerWaalsContact O-N 3.1Å
144V64.4Low71Confident77 Ų7771.1 Ų71.147%0.46742%0.421SS..Hα-helixtrans-61.8-45.2177.8170.50000111.9L140 R141 T146 I147 T148L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 2.88Å; R141-V144 PolarHBondContact O-N 2.86Å; R141-V144 VanDerWaalsContact O-N 3.11Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 2.87Å; V144-I147 PolarHBondContact O-N 2.91Å; V144-I147 VanDerWaalsContact O-N 3.16Å; V144-T148 HydrophobicContact CG1-CG2 4.05Å; V144-T148 WeakPolarHBondContact O-CB 3.45Å; V144-T148 WeakPolarHBondContact O-CG2 3.34Å; V144-T148 PolarHBondContact O-N 3.1Å; V144-T148 PolarHBondContact O-OG1 2.91Å
145N69.3Low69.8Low22 Ų2280.4 Ų80.412%0.11846%0.464CS..Hα-helixtrans-61.2-43178.9-71.511.1000111R141 V143 I147 T148 G149 S150 N152R141-N145 WeakPolarHBondContact CG-OD1 3.23Å; R141-N145 WeakPolarHBondContact O-CB 3.39Å; R141-N145 VanDerWaalsContact O-CG 3.29Å; R141-N145 PolarHBondContact O-N 2.65Å; R141-N145 PolarHBondContact O-OD1 2.79Å; V143-N145 PolarHBondContact O-N 3.08Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 3.35Å; N145-T148 PolarHBondContact O-N 2.66Å; N145-G149 WeakPolarHBondContact O-CA 3.29Å; N145-G149 PolarHBondContact O-N 3.31Å; N145-S150 VanDerWaalsContact CB-O 3.23Å; N145-S150 WeakPolarHBondContact CB-O 3.38Å; N145-S150 VanDerWaalsContact CG-O 3.31Å; N145-S150 PolarHBondContact O-N 3.44Å; N145-S150 PolarHBondContact OD1-OG 3.1Å; N145-N152 PolarHBondContact ND2-OD1 2.96Å
146T66.8Low68.8Low117 Ų11784.2 Ų84.272%0.71848%0.484SS*.Hα-helixtrans-61.6-36.1176.1-54.20000112.3T142 V143 V144T142-T146 WeakPolarHBondContact O-CB 3.32Å; T142-T146 PolarHBondContact O-N 3.23Å; T142-T146 VanDerWaalsContact O-N 3.14Å; T142-T146 PolarHBondContact O-OG1 2.99Å; V143-T146 PolarHBondContact O-N 3.02Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 2.87Å
147I66.1Low67.9Low133 Ų13389.6 Ų89.668%0.68251%0.51SS*.Hα-helixtrans-81.8-35.7-178.5-66.2167.4000112.1V143 V144 N145V143-I147 HydrophobicContact CG1-CD1 3.7Å; V143-I147 WeakPolarHBondContact O-CD1 3.41Å; V143-I147 VanDerWaalsContact O-CG1 3.27Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 2.94Å; V143-I147 VanDerWaalsContact O-N 3.1Å; V144-I147 PolarHBondContact O-N 2.91Å; V144-I147 VanDerWaalsContact O-N 3.16Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 3.35Å
148T70.3Confident67.2Low87 Ų8788.9 Ų88.953%0.53451%0.505SS..Hα-helixtrans-100.1-10-171.658.60000113.8V144 N145 S150V144-T148 HydrophobicContact CG1-CG2 4.05Å; V144-T148 WeakPolarHBondContact O-CB 3.45Å; V144-T148 WeakPolarHBondContact O-CG2 3.34Å; V144-T148 PolarHBondContact O-N 3.1Å; V144-T148 PolarHBondContact O-OG1 2.91Å; N145-T148 PolarHBondContact O-N 2.66Å; T148-S150 PolarHBondContact O-N 3.21Å; T148-S150 PolarHBondContact OG1-OG 3.31Å
149G69.3Low66.6Low70 Ų7089.8 Ų89.872%0.72251%0.51SS*.  trans68.315.1-172.700000113.8N145N145-G149 WeakPolarHBondContact O-CA 3.29Å; N145-G149 PolarHBondContact O-N 3.31Å
150S70.8Confident66.2Low54 Ų5482.6 Ų82.638%0.37847%0.474SS..  trans-84.2155.1-179.557.60000112.5N145 T148N145-S150 VanDerWaalsContact CB-O 3.23Å; N145-S150 WeakPolarHBondContact CB-O 3.38Å; N145-S150 VanDerWaalsContact CG-O 3.31Å; N145-S150 PolarHBondContact O-N 3.44Å; N145-S150 PolarHBondContact OD1-OG 3.1Å; T148-S150 PolarHBondContact O-N 3.21Å; T148-S150 PolarHBondContact OG1-OG 3.31Å
151T72.9Confident66Low89 Ų8979.4 Ų79.455%0.54646%0.456SS..  trans-101.6172.1179.761.80000112V153T151-V153 VanDerWaalsContact C-N 3.27Å
152N73.1Confident65.9Low22 Ų2285.3 Ų85.312%0.11849%0.49CS..SBendtrans-78.7-14.5174.5-73-33.5000113.2V108 K135 R141 N145V108-N152 WeakPolarHBondContact CG2-ND2 3.32Å; K135-N152 PolarHBondContact N-O 2.86Å; R141-N152 PolarHBondContact NH2-O 3.17Å; N145-N152 PolarHBondContact ND2-OD1 2.96Å
153V74.4Confident66.2Low70 Ų7083.9 Ų83.942%0.42448%0.483SS..BIsolated β-bridgetrans-64.6134.1177.1-175.30000110.5E111 L133 T151E111-V153 WeakPolarHBondContact OE1-CG2 3.12Å; L133-V153 CarbonylContact O-C 3.59Å; L133-V153 WeakPolarHBondContact O-CA 3.36Å; T151-V153 VanDerWaalsContact C-N 3.27Å
154G66Low66.9Low18 Ų1886.5 Ų86.519%0.18650%0.499CS..  trans-72.1140.7176.400000112L133 Q156L133-G154 PolarHBondContact O-N 2.8Å; G154-Q156 VanDerWaalsContact C-N 3.28Å; G154-Q156 PolarHBondContact O-N 2.88Å
155E61.9Low67.8Low198 Ų19883.4 Ų83.493%0.92548%0.48SS*.SBendtrans-77.7-13.1177-63.9-179.8171.200113.3
156Q65.3Low68.5Low169 Ų16984.2 Ų84.279%0.7949%0.487SS*.SBendtrans-123.2134.1-177.9-67.9-177.7-9.400110.1G154G154-Q156 VanDerWaalsContact C-N 3.28Å; G154-Q156 PolarHBondContact O-N 2.88Å
157L64Low69.5Low147 Ų14780.1 Ų80.177%0.7746%0.458SS*.  trans-64.8140.2173.9-69.7169.8000110.4T159L157-T159 PolarHBondContact O-N 2.95Å
158P62.6Low70.6Confident11 Ų1173.9 Ų73.97%0.07143%0.426CS..  trans-58124.6175.9-2230.9000110.3I129 E132 L133 G160 Q161I129-P158 HydrophobicContact CD1-CB 4.34Å; I129-P158 HydrophobicContact CG2-CB 4.2Å; I129-P158 HydrophobicContact CG2-CG 4.07Å; E132-P158 HydrophobicContact CB-CB 4.4Å; E132-P158 HydrophobicContact CB-CG 4.13Å; E132-P158 WeakPolarHBondContact OE2-CA 2.95Å; E132-P158 VanDerWaalsContact OE2-CB 3.26Å; E132-P158 WeakPolarHBondContact OE2-CB 3.3Å; L133-P158 HydrophobicContact CD1-CG 4.08Å; L133-P158 HydrophobicContact CD2-CG 3.49Å; L133-P158 VanDerWaalsContact CD2-CG 3.49Å; L133-P158 HydrophobicContact CG-CG 3.42Å; L133-P158 VanDerWaalsContact CG-CG 3.42Å; P158-G160 PolarHBondContact O-N 2.89Å; P158-Q161 HydrophobicContact CB-CB 4.37Å; P158-Q161 PolarHBondContact O-N 2.85Å
159T62.7Low71.1Confident97 Ų9772.9 Ų72.960%0.59541%0.413SS*.THydrogen-bonded Turntrans-63.2-20.8169.144.40000111.8L157 T170L157-T159 PolarHBondContact O-N 2.95Å; T159-T170 PolarHBondContact OG1-OG1 2.87Å
160G58.7Low71.6Confident2 Ų273.2 Ų73.22%0.02140%0.401CS..THydrogen-bonded Turntrans-77.7-18.1-179.300000115.8P158 L162 S163P158-G160 PolarHBondContact O-N 2.89Å; G160-L162 PolarHBondContact O-N 2.81Å; G160-S163 VanDerWaalsContact O-CB 3.24Å; G160-S163 WeakPolarHBondContact O-CB 3.24Å; G160-S163 PolarHBondContact O-N 2.79Å
161Q57.6Low72.1Confident77 Ų7773.5 Ų73.536%0.3641%0.412SS..THydrogen-bonded Turntrans-66.9-24.9-172.3-139.9173.3-300113.1I129 P158I129-Q161 HydrophobicContact CG2-CG 4.24Å; P158-Q161 HydrophobicContact CB-CB 4.37Å; P158-Q161 PolarHBondContact O-N 2.85Å
162L62Low72.9Confident177 Ų17770 Ų7093%0.92739%0.39SS*.THydrogen-bonded Turntrans-108.46.9173.1-62.1173.6000112.6G160G160-L162 PolarHBondContact O-N 2.81Å
163S70.4Confident73.8Confident44 Ų4477.4 Ų77.431%0.30842%0.422SS..SBendtrans-78.9149.6-179.5-179.90000110.9G160 V165G160-S163 VanDerWaalsContact O-CB 3.24Å; G160-S163 WeakPolarHBondContact O-CB 3.24Å; G160-S163 PolarHBondContact O-N 2.79Å; S163-V165 PolarHBondContact O-N 3.3Å; S163-V165 PolarHBondContact OG-N 2.87Å
164V75.6Confident74.7Confident135 Ų13577.4 Ų77.482%0.81842%0.415SS*.SBendtrans-70.2-3.1167.3-61.80000112.9P166V164-P166 VanDerWaalsContact C-CD 3.47Å
165V84.6Confident76Confident13 Ų1383.2 Ų83.28%0.07945%0.447CS..  trans-127.165.8176.9-166.10000109.6S163 W167 R168 M215 I251S163-V165 PolarHBondContact O-N 3.3Å; S163-V165 PolarHBondContact OG-N 2.87Å; V165-W167 VanDerWaalsContact C-N 3.25Å; V165-W167 HydrophobicContact CB-CZ2 4.39Å; V165-W167 HydrophobicContact CG1-CD2 4.41Å; V165-W167 HydrophobicContact CG1-CZ2 3.83Å; V165-W167 VanDerWaalsContact CG1-NE1 3.29Å; V165-W167 PolarHBondContact O-N 2.77Å; V165-R168 HydrophobicContact CG1-CB 3.91Å; V165-R168 PolarHBondContact O-N 3.17Å; V165-M215 HydrophobicContact CB-CE 4.15Å; V165-M215 HydrophobicContact CG1-CE 4.06Å; V165-M215 HydrophobicContact CG2-CE 4.39Å; V165-I251 HydrophobicContact CG1-CB 4Å; V165-I251 HydrophobicContact CG1-CD1 4.48Å; V165-I251 HydrophobicContact CG1-CG2 3.74Å; V165-I251 HydrophobicContact CG2-CD1 3.87Å
166P84.2Confident77.6Confident39 Ų3979.7 Ų79.725%0.25343%0.434SS..THydrogen-bonded Turntrans-66.1-26.8-173.727.2-35.4000112.5E126 I129 V164 R168E126-P166 HydrophobicContact CG-CB 4.39Å; I129-P166 WeakPolarHBondContact CD1-O 3.28Å; I129-P166 WeakPolarHBondContact CG1-O 3.43Å; V164-P166 VanDerWaalsContact C-CD 3.47Å; P166-R168 VanDerWaalsContact C-N 3.28Å; P166-R168 PolarHBondContact O-N 2.9Å
167W87.5Confident79.1Confident31 Ų3173 Ų7312%0.11740%0.404CS..THydrogen-bonded Turntrans-77-4-178.453.276.4000115E126 N128 V165 P235 C236 I251 P253E126-W167 WeakPolarHBondContact OE2-CB 3.49Å; N128-W167 PolarHBondContact ND2-O 3Å; V165-W167 VanDerWaalsContact C-N 3.25Å; V165-W167 HydrophobicContact CB-CZ2 4.39Å; V165-W167 HydrophobicContact CG1-CD2 4.41Å; V165-W167 HydrophobicContact CG1-CZ2 3.83Å; V165-W167 VanDerWaalsContact CG1-NE1 3.29Å; V165-W167 PolarHBondContact O-N 2.77Å; W167-P235 HydrophobicContact CE3-CB 4.06Å; W167-P235 VanDerWaalsContact CH2-O 3.25Å; W167-P235 WeakPolarHBondContact CH2-O 3.42Å; W167-P235 HydrophobicContact CZ3-CB 4Å; W167-P235 WeakPolarHBondContact CZ3-O 3.28Å; W167-C236 HydrophobicContact CD2-CB 3.92Å; W167-C236 VanDerWaalsContact CE2-CA 3.49Å; W167-C236 VanDerWaalsContact CE2-CB 3.45Å; W167-C236 HydrophobicContact CG-CB 4.15Å; W167-C236 VanDerWaalsContact CZ2-CA 3.44Å; W167-C236 HydrophobicContact CZ2-CB 3.91Å; W167-C236 VanDerWaalsContact NE1-CB 3.28Å; W167-I251 PolarHBondContact NE1-O 2.94Å; W167-P253 HydrophobicContact CB-CG 4.07Å; W167-P253 HydrophobicContact CG-CG 4.17Å; W167-P253 WeakPolarHBondContact O-CA 3.4Å
168R88Confident80.7Confident1 Ų168 Ų680%0.00438%0.377CS..SBendtrans-131.1128.6-178.1-170.4-178.4-177.575.75.9112.5V165 P166 L212 G214 M215 I251 P252V165-R168 HydrophobicContact CG1-CB 3.91Å; V165-R168 PolarHBondContact O-N 3.17Å; P166-R168 VanDerWaalsContact C-N 3.28Å; P166-R168 PolarHBondContact O-N 2.9Å; R168-L212 PolarHBondContact NH2-O 3Å; R168-G214 PolarHBondContact NE-O 2.93Å; R168-G214 PolarHBondContact NH2-O 3.3Å; R168-M215 HydrophobicContact CB-CE 4.45Å; R168-M215 HydrophobicContact CG-CE 4.46Å; R168-M215 HydrophobicContact CG-SD 3.95Å; R168-I251 HydrophobicContact CB-CG2 4.34Å; R168-I251 HydrophobicContact CG-CG2 4.46Å; R168-P252 WeakPolarHBondContact CD-O 3.44Å; R168-P252 PolarHBondContact NH1-O 3.45Å
169R81.3Confident82.4Confident67 Ų6767.6 Ų67.625%0.25337%0.374SS..  trans-75.2145.2178.2-60.7-175.3-71.7177.3-1.2112.6N128 E132 V172 D254N128-R169 HydrophobicContact CB-CG 4.13Å; N128-R169 WeakPolarHBondContact O-CD 3.35Å; E132-R169 HydrophobicContact CG-CG 3.99Å; E132-R169 WeakPolarHBondContact OE1-CB 3.41Å; E132-R169 WeakPolarHBondContact OE1-CD 3.5Å; E132-R169 WeakPolarHBondContact OE1-CG 3.47Å; R169-V172 HydrophobicContact CB-CG2 3.95Å; R169-V172 WeakPolarHBondContact O-CG2 3.3Å; R169-D254 IonicContact NH2-OD2 3.5Å; R169-D254 PolarHBondContact NH2-OD2 3.27Å
170T79.8Confident84.1Confident77 Ų7766.7 Ų66.747%0.47236%0.36SS..THydrogen-bonded Turntrans-77.1146.1171.6550000111.1T159 V172T159-T170 PolarHBondContact OG1-OG1 2.87Å; T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 PolarHBondContact O-N 2.85Å
171G82.7Confident86Confident60 Ų6066.6 Ų66.662%0.61936%0.359SS*.THydrogen-bonded Turntrans76.513.3172.400000115.7K173G171-K173 PolarHBondContact O-N 2.81Å
172V88.1Confident87.9Confident15 Ų1566.2 Ų66.29%0.09136%0.359CS..  trans-53.5133.6170.6176.10000109.9R169 T170 Y174 L212 T213 G214 D254R169-V172 HydrophobicContact CB-CG2 3.95Å; R169-V172 WeakPolarHBondContact O-CG2 3.3Å; T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 PolarHBondContact O-N 2.85Å; V172-Y174 HydrophobicContact CG1-CD2 3.85Å; V172-Y174 HydrophobicContact CG1-CE2 3.37Å; V172-L212 WeakPolarHBondContact CG1-O 3.09Å; V172-T213 CarbonylContact O-C 3.42Å; V172-T213 VanDerWaalsContact O-CA 3.31Å; V172-T213 WeakPolarHBondContact O-CA 3.26Å; V172-T213 WeakPolarHBondContact O-CG2 3.34Å; V172-G214 PolarHBondContact O-N 2.82Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.16Å
173K92.1Very high89.6Confident178 Ų17857.8 Ų57.877%0.77432%0.316SS*.  trans-135.4134.9179.6-70.6-178.6-176.4-179.90111.1G171 T213G171-K173 PolarHBondContact O-N 2.81Å; K173-T213 HydrophobicContact CG-CG2 4.19Å
174Y93.8Very high90.9Very high70 Ų7057 Ų5728%0.27531%0.309SS..  trans-131.7140.9173-69.9-78.8000111V172 N176 N177 K211 T213 D254V172-Y174 HydrophobicContact CG1-CD2 3.85Å; V172-Y174 HydrophobicContact CG1-CE2 3.37Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 WeakPolarHBondContact CB-O 3.29Å; Y174-N177 PolarHBondContact O-ND2 3.31Å; Y174-K211 HydrophobicContact CD1-CB 3.98Å; Y174-K211 HydrophobicContact CD2-CB 4.01Å; Y174-K211 HydrophobicContact CE1-CB 3.81Å; Y174-K211 HydrophobicContact CE1-CD 4.1Å; Y174-K211 HydrophobicContact CE1-CG 3.99Å; Y174-K211 VanDerWaalsContact CE2-CA 3.45Å; Y174-K211 HydrophobicContact CE2-CB 3.81Å; Y174-K211 HydrophobicContact CE2-CG 4.49Å; Y174-K211 HydrophobicContact CG-CB 4.07Å; Y174-T213 PolarHBondContact N-OG1 2.99Å; Y174-T213 PolarHBondContact O-OG1 2.85Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.29Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.49Å; Y174-D254 VanDerWaalsContact OH-CG 3.3Å; Y174-D254 PolarHBondContact OH-OD1 3.29Å; Y174-D254 PolarHBondContact OH-OD2 2.93Å; Y174-D254 VanDerWaalsContact OH-OD2 3.06Å
175T93.9Very high91.9Very high140 Ų14050.6 Ų50.686%0.85927%0.27SS*.SBendtrans-63.9-43.7169.9-47.80000110.7
176N95.3Very high92.6Very high123 Ų12353 Ų5366%0.65828%0.28SS*.SBendtrans-114.5120.1177.6-63.9-31.7000109Y174Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 WeakPolarHBondContact CB-O 3.29Å
177N97.3Very high93.1Very high30 Ų3051.1 Ų51.116%0.1627%0.268CS..  trans-96.2116.2-178.3-67-86.5000109.5Y174 K211 L212 T213 Y399 P401 F402Y174-N177 PolarHBondContact O-ND2 3.31Å; N177-K211 CarbonylContact C-O 3.53Å; N177-K211 WeakPolarHBondContact CA-O 3.11Å; N177-L212 HydrophobicContact CB-CD2 4.05Å; N177-T213 VanDerWaalsContact OD1-CB 3.23Å; N177-T213 WeakPolarHBondContact OD1-CB 3.32Å; N177-T213 PolarHBondContact OD1-N 2.96Å; N177-T213 PolarHBondContact OD1-OG1 2.85Å; N177-Y399 HydrophobicContact CB-CD2 3.64Å; N177-Y399 HydrophobicContact CB-CE2 3.39Å; N177-P401 HydrophobicContact CB-CB 4.23Å; N177-P401 CarbonylContact O-C 3.59Å; N177-P401 VanDerWaalsContact O-CA 3.23Å; N177-P401 WeakPolarHBondContact O-CA 3.49Å; N177-P401 WeakPolarHBondContact O-CB 3.39Å; N177-F402 PolarHBondContact O-N 3.36Å
178E97.3Very high93.5Very high42 Ų4250.8 Ų50.820%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-141.6144.4-172.957.1-178.6-166.800111.8Y180 K211 F402E178-Y180 HydrophobicContact CB-CD2 4.48Å; E178-Y180 HydrophobicContact CB-CE2 3.74Å; E178-Y180 VanDerWaalsContact CD-CE2 3.44Å; E178-Y180 HydrophobicContact CG-CE2 3.78Å; E178-Y180 VanDerWaalsContact OE2-CE2 3.28Å; E178-Y180 WeakPolarHBondContact OE2-CE2 3.24Å; E178-Y180 PolarHBondContact OE2-OH 3.43Å; E178-K211 HydrophobicContact CG-CB 3.94Å; E178-K211 HydrophobicContact CG-CD 4.31Å; E178-K211 HydrophobicContact CG-CG 4.48Å; E178-K211 PolarHBondContact N-O 3.47Å; E178-K211 CarbonylContact O-C 3.48Å; E178-K211 PolarHBondContact O-N 3.02Å; E178-K211 WeakPolarHBondContact OE1-CD 3.25Å; E178-K211 IonicContact OE1-NZ 3.64Å; E178-K211 PolarHBondContact OE1-NZ 3.48Å; E178-F402 CarbonylContact C-O 3.18Å; E178-F402 WeakPolarHBondContact CA-O 3.45Å; E178-F402 HydrophobicContact CB-CB 4.21Å
179A97.8Very high93.9Very high2 Ų250.8 Ų50.82%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-136.5118.4173.900000109.6F181 C209 V210 L212 F402 K403 G404A179-F181 HydrophobicContact CB-CE2 3.96Å; A179-C209 WeakPolarHBondContact CA-O 3.41Å; A179-V210 HydrophobicContact CB-CG2 4.39Å; A179-L212 HydrophobicContact CB-CD1 4.35Å; A179-F402 PolarHBondContact N-O 3.25Å; A179-K403 CarbonylContact O-C 3.52Å; A179-K403 WeakPolarHBondContact O-CA 3.48Å; A179-G404 PolarHBondContact O-N 3.34Å
180Y98.1Very high94.6Very high78 Ų7849.6 Ų49.631%0.30627%0.267SS..EExtended strand (participates in β ladder)trans-112.1141.5176.9-59.2-91000110.6E178 A208 C209 F402 G404E178-Y180 HydrophobicContact CB-CD2 4.48Å; E178-Y180 HydrophobicContact CB-CE2 3.74Å; E178-Y180 VanDerWaalsContact CD-CE2 3.44Å; E178-Y180 HydrophobicContact CG-CE2 3.78Å; E178-Y180 VanDerWaalsContact OE2-CE2 3.28Å; E178-Y180 WeakPolarHBondContact OE2-CE2 3.24Å; E178-Y180 PolarHBondContact OE2-OH 3.43Å; Y180-A208 CarbonylContact O-C 3.59Å; Y180-A208 VanDerWaalsContact O-CA 3.26Å; Y180-A208 WeakPolarHBondContact O-CA 3.36Å; Y180-C209 PolarHBondContact N-O 3.31Å; Y180-C209 PolarHBondContact O-N 3.13Å; Y180-F402 HydrophobicContact CD1-CE1 4.32Å; Y180-F402 AromaticContact CE1-CD1 3.8Å; Y180-F402 HydrophobicContact CE1-CD1 3.8Å; Y180-F402 AromaticContact CE1-CE1 3.44Å; Y180-F402 HydrophobicContact CE1-CE1 3.44Å; Y180-F402 VanDerWaalsContact CE1-CE1 3.44Å; Y180-F402 AromaticContact CZ-CD1 3.75Å; Y180-F402 AromaticContact CZ-CE1 3.84Å; Y180-G404 CarbonylContact C-O 3.56Å; Y180-G404 VanDerWaalsContact CA-O 3.31Å; Y180-G404 WeakPolarHBondContact CA-O 3.36Å
181F98.2Very high95.4Very high0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-129118.7175.2-61.1-93000109.4A179 I206 D207 A208 V210 L218 L220 F250 L259 L392 G404 I405 K406A179-F181 HydrophobicContact CB-CE2 3.96Å; F181-I206 HydrophobicContact CB-CG2 4.22Å; F181-I206 HydrophobicContact CD1-CG2 4.15Å; F181-D207 CarbonylContact C-O 3.49Å; F181-D207 WeakPolarHBondContact CA-O 3.31Å; F181-A208 HydrophobicContact CD1-CB 3.78Å; F181-A208 HydrophobicContact CE1-CB 3.76Å; F181-V210 HydrophobicContact CZ-CG2 4.46Å; F181-L218 HydrophobicContact CZ-CD1 4.18Å; F181-L220 HydrophobicContact CD1-CD2 4.42Å; F181-F250 HydrophobicContact CE1-CE2 4.41Å; F181-F250 AromaticContact CE1-CZ 3.97Å; F181-F250 HydrophobicContact CE1-CZ 3.97Å; F181-F250 HydrophobicContact CZ-CZ 4.14Å; F181-L259 HydrophobicContact CD1-CD2 4.15Å; F181-L259 HydrophobicContact CE1-CD2 3.96Å; F181-L392 HydrophobicContact CD2-CD2 3.92Å; F181-L392 HydrophobicContact CE2-CD1 4.23Å; F181-L392 HydrophobicContact CE2-CD2 3.34Å; F181-L392 HydrophobicContact CE2-CG 4.43Å; F181-L392 HydrophobicContact CZ-CD1 4.29Å; F181-L392 HydrophobicContact CZ-CD2 4.18Å; F181-G404 PolarHBondContact N-O 2.86Å; F181-I405 HydrophobicContact CB-CG1 4.46Å; F181-I405 CarbonylContact O-C 3.56Å; F181-I405 VanDerWaalsContact O-CA 3.25Å; F181-I405 WeakPolarHBondContact O-CA 3.39Å; F181-K406 PolarHBondContact O-N 3.2Å
182D97.9Very high95.9Very high68 Ų6845.6 Ų45.636%0.36423%0.229SC..EExtended strand (participates in β ladder)trans-103.7110.2177.9-72.2-14.1000108.7V184 I206 D207 K406D182-V184 HydrophobicContact CB-CG2 4.37Å; D182-I206 WeakPolarHBondContact O-CA 3.37Å; D182-D207 PolarHBondContact N-O 3.01Å; D182-D207 PolarHBondContact O-N 3.36Å; D182-K406 VanDerWaalsContact OD1-CB 3.27Å; D182-K406 WeakPolarHBondContact OD1-CB 3.23Å
183V98Very high96.1Very high1 Ų152.5 Ų52.51%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-86.1107.9171.5-175.40000107.7V205 I206 Y262 A383 L387 I405 K406 Y407 M408V183-V205 WeakPolarHBondContact CA-O 3.43Å; V183-I206 HydrophobicContact CG2-CD1 4.37Å; V183-I206 HydrophobicContact CG2-CG1 4.21Å; V183-Y262 WeakPolarHBondContact CG1-OH 3.32Å; V183-A383 HydrophobicContact CG1-CB 4.37Å; V183-L387 HydrophobicContact CG1-CD2 4.22Å; V183-I405 HydrophobicContact CG2-CG2 4.49Å; V183-K406 PolarHBondContact N-O 2.96Å; V183-Y407 HydrophobicContact CB-CD1 3.62Å; V183-Y407 HydrophobicContact CB-CE1 3.99Å; V183-Y407 HydrophobicContact CB-CG 4.38Å; V183-Y407 HydrophobicContact CG1-CD1 3.96Å; V183-Y407 HydrophobicContact CG1-CE1 4.3Å; V183-Y407 HydrophobicContact CG2-CD1 3.91Å; V183-Y407 HydrophobicContact CG2-CE1 3.74Å; V183-Y407 CarbonylContact O-C 3.52Å; V183-Y407 WeakPolarHBondContact O-CA 3.44Å; V183-M408 PolarHBondContact O-N 3.38Å
184V98Very high96.1Very high27 Ų2748.2 Ų48.216%0.16425%0.25CC..EExtended strand (participates in β ladder)trans-115.5122.9-178.9-176.60000109.4D182 G204 V205 M408D182-V184 HydrophobicContact CB-CG2 4.37Å; V184-G204 CarbonylContact O-C 3.51Å; V184-G204 WeakPolarHBondContact O-CA 3.2Å; V184-V205 HydrophobicContact CB-CG2 3.89Å; V184-V205 PolarHBondContact N-O 3.47Å; V184-V205 PolarHBondContact O-N 3.23Å; V184-M408 CarbonylContact C-O 3.56Å; V184-M408 WeakPolarHBondContact CA-O 3.16Å; V184-M408 HydrophobicContact CG1-CE 3.74Å; V184-M408 HydrophobicContact CG2-CE 4.05Å
185E97.3Very high96Very high0 Ų046.2 Ų46.20%025%0.25CS..EExtended strand (participates in β ladder)trans-112.8137.4177.3-69.5-170.4160.400111.1I202 Q203 Y262 A383 L384 S385 M408 T409 K410E185-I202 HydrophobicContact CB-CG2 3.73Å; E185-I202 HydrophobicContact CG-CG2 3.77Å; E185-Q203 WeakPolarHBondContact CA-O 3.3Å; E185-Y262 VanDerWaalsContact CD-OH 3.31Å; E185-Y262 VanDerWaalsContact CG-OH 3.24Å; E185-Y262 WeakPolarHBondContact CG-OH 3.29Å; E185-Y262 WeakPolarHBondContact OE1-CE2 3.22Å; E185-Y262 PolarHBondContact OE1-OH 3.01Å; E185-A383 HydrophobicContact CG-CB 4.39Å; E185-A383 VanDerWaalsContact OE2-CA 3.23Å; E185-A383 WeakPolarHBondContact OE2-CA 3.09Å; E185-L384 PolarHBondContact OE2-N 3.25Å; E185-S385 WeakPolarHBondContact OE1-CB 3.33Å; E185-S385 PolarHBondContact OE1-OG 3.41Å; E185-S385 PolarHBondContact OE2-N 3.16Å; E185-M408 PolarHBondContact N-O 3.2Å; E185-T409 HydrophobicContact CB-CG2 4.06Å; E185-T409 CarbonylContact O-C 3.57Å; E185-T409 VanDerWaalsContact O-CA 3.31Å; E185-T409 WeakPolarHBondContact O-CA 3.42Å; E185-K410 WeakPolarHBondContact O-CG 3.37Å; E185-K410 PolarHBondContact O-N 2.78Å
186E97.4Very high95.9Very high63 Ų6342.5 Ų42.529%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-109.4130.6167.4-167.8161.6131.700108.3I202 Q203 K410 G412E186-I202 CarbonylContact O-C 3.49Å; E186-I202 VanDerWaalsContact O-CA 3.32Å; E186-I202 WeakPolarHBondContact O-CA 3.41Å; E186-Q203 PolarHBondContact N-O 3.1Å; E186-Q203 PolarHBondContact O-N 3.09Å; E186-Q203 PolarHBondContact O-OE1 3.26Å; E186-K410 WeakPolarHBondContact CA-O 3.32Å; E186-K410 WeakPolarHBondContact OE2-CE 3.43Å; E186-K410 IonicContact OE2-NZ 3.59Å; E186-K410 PolarHBondContact OE2-NZ 2.63Å; E186-G412 VanDerWaalsContact OE1-CA 3.29Å; E186-G412 WeakPolarHBondContact OE1-CA 3.44Å
187I95.9Very high95.8Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-108.5118.1177.1-179.5174.1000110.3A189 E201 V270 I272 F377 L384 T409 K410 G412 F414I187-A189 HydrophobicContact CG1-CB 4.4Å; I187-E201 WeakPolarHBondContact CA-O 3.23Å; I187-V270 HydrophobicContact CD1-CG1 3.73Å; I187-V270 HydrophobicContact CG1-CG1 4.4Å; I187-I272 HydrophobicContact CD1-CD1 4.25Å; I187-F377 HydrophobicContact CG2-CE2 4.08Å; I187-F377 HydrophobicContact CG2-CZ 3.57Å; I187-L384 HydrophobicContact CD1-CD1 4.08Å; I187-L384 HydrophobicContact CG2-CD1 4.39Å; I187-T409 HydrophobicContact CG2-CG2 4.28Å; I187-K410 PolarHBondContact N-O 3.43Å; I187-G412 PolarHBondContact O-N 3.29Å; I187-F414 HydrophobicContact CD1-CE2 4.32Å; I187-F414 HydrophobicContact CG2-CD2 4.32Å
188D95.9Very high95.6Very high24 Ų2442.1 Ų42.113%0.12823%0.229CC..EExtended strand (participates in β ladder)trans-97.7127168.5-70.3-17.9000108.1A200 E201 Q203 G412 K413D188-A200 CarbonylContact O-C 3.55Å; D188-A200 VanDerWaalsContact O-CA 3.28Å; D188-A200 WeakPolarHBondContact O-CA 3.42Å; D188-E201 HydrophobicContact CB-CG 3.75Å; D188-E201 PolarHBondContact N-O 2.96Å; D188-E201 PolarHBondContact O-N 3.49Å; D188-Q203 PolarHBondContact OD2-NE2 3.28Å; D188-Q203 PolarHBondContact OD2-OE1 3.41Å; D188-G412 VanDerWaalsContact OD1-CA 3.3Å; D188-G412 WeakPolarHBondContact OD1-CA 3.32Å; D188-K413 HydrophobicContact CB-CB 4.45Å; D188-K413 PolarHBondContact OD1-N 2.96Å
189A95.8Very high95.5Very high1 Ų142.7 Ų42.71%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-151.7142.9-178.400000112.3I187 I191 T199 A200 I272 K413 F414 Q415I187-A189 HydrophobicContact CG1-CB 4.4Å; A189-I191 HydrophobicContact CB-CD1 4.41Å; A189-T199 CarbonylContact C-O 3.58Å; A189-T199 VanDerWaalsContact CA-O 3.25Å; A189-T199 WeakPolarHBondContact CA-O 3.32Å; A189-A200 HydrophobicContact CB-CB 4.12Å; A189-I272 HydrophobicContact CB-CD1 4.23Å; A189-K413 PolarHBondContact N-O 3.06Å; A189-F414 HydrophobicContact CB-CD2 3.75Å; A189-F414 HydrophobicContact CB-CE2 3.75Å; A189-F414 HydrophobicContact CB-CG 4.45Å; A189-F414 HydrophobicContact CB-CZ 4.44Å; A189-F414 WeakPolarHBondContact O-CA 3.35Å; A189-Q415 PolarHBondContact O-N 3Å
190I96.1Very high95.3Very high42 Ų4243 Ų4322%0.21524%0.239CC..EExtended strand (participates in β ladder)trans-116.7117.3169.2-56.4177.5000108I198 T199 Q415 R417I190-I198 HydrophobicContact CB-CB 4.36Å; I190-I198 HydrophobicContact CG2-CB 4.34Å; I190-I198 HydrophobicContact CG2-CD1 3.93Å; I190-I198 HydrophobicContact CG2-CG1 4.45Å; I190-I198 WeakPolarHBondContact O-CB 3.05Å; I190-I198 PolarHBondContact O-N 3.48Å; I190-T199 PolarHBondContact N-O 3.28Å; I190-T199 PolarHBondContact O-N 2.92Å; I190-Q415 WeakPolarHBondContact CA-O 3.47Å; I190-R417 HydrophobicContact CG2-CG 4.26Å
191I95.7Very high95.1Very high10 Ų1042.1 Ų42.15%0.05124%0.237CC..EExtended strand (participates in β ladder)trans-103.7134.7175.9-47.8-57000108.5A189 S196 T197 I272 F414 Q415 V416 R417A189-I191 HydrophobicContact CB-CD1 4.41Å; I191-S196 WeakPolarHBondContact CA-O 3.49Å; I191-S196 WeakPolarHBondContact CG2-O 3.26Å; I191-T197 HydrophobicContact CD1-CG2 4.11Å; I191-I272 HydrophobicContact CD1-CD1 4.1Å; I191-I272 HydrophobicContact CD1-CG1 4.1Å; I191-I272 HydrophobicContact CD1-CG2 4.12Å; I191-F414 HydrophobicContact CG1-CE1 4.22Å; I191-F414 HydrophobicContact CG1-CZ 4.17Å; I191-Q415 PolarHBondContact N-O 3.28Å; I191-V416 HydrophobicContact CB-CB 4.45Å; I191-V416 HydrophobicContact CB-CG1 4.29Å; I191-V416 HydrophobicContact CB-CG2 4.09Å; I191-V416 HydrophobicContact CG1-CG2 4.28Å; I191-V416 HydrophobicContact CG2-CG1 4.47Å; I191-V416 WeakPolarHBondContact O-CA 3.43Å; I191-R417 PolarHBondContact O-N 2.87Å
192D94.8Very high95Very high44 Ų4442.2 Ų42.224%0.23524%0.238CC..  trans-78.3173.8176.181.62.1000112.5S194 G195 S196 I198 R417D192-S194 VanDerWaalsContact CG-OG 3.23Å; D192-S194 PolarHBondContact O-N 3.35Å; D192-S194 VanDerWaalsContact O-N 3.12Å; D192-S194 VanDerWaalsContact OD1-CA 3.29Å; D192-S194 WeakPolarHBondContact OD1-CA 3.02Å; D192-S194 WeakPolarHBondContact OD1-CB 3.17Å; D192-S194 PolarHBondContact OD1-N 3.18Å; D192-S194 PolarHBondContact OD1-OG 2.97Å; D192-S194 PolarHBondContact OD2-OG 3.47Å; D192-S194 VanDerWaalsContact OD2-OG 3.06Å; D192-G195 PolarHBondContact O-N 3.47Å; D192-G195 PolarHBondContact OD1-N 3.45Å; D192-S196 PolarHBondContact N-O 3.39Å; D192-S196 WeakPolarHBondContact OD1-CB 2.99Å; D192-S196 PolarHBondContact OD1-N 2.94Å; D192-I198 HydrophobicContact CB-CD1 3.79Å; D192-I198 HydrophobicContact CB-CG1 3.86Å; D192-R417 CarbonylContact C-O 3.55Å
193K92.5Very high94.9Very high160 Ų16041.8 Ų41.870%0.69623%0.234SC*.THydrogen-bonded Turntrans-62.7-15.5178.568180-179.1-176.40115H278 R417K193-H278 PolarHBondContact O-NE2 3.5Å; K193-R417 WeakPolarHBondContact CA-O 3.38Å; K193-R417 PolarHBondContact N-O 3.44Å
194S91.9Very high94.9Very high87 Ų8741.8 Ų41.861%0.60823%0.234SC*.THydrogen-bonded Turntrans-89.7-9.9176.278.10000112.5D192 S196D192-S194 VanDerWaalsContact CG-OG 3.23Å; D192-S194 PolarHBondContact O-N 3.35Å; D192-S194 VanDerWaalsContact O-N 3.12Å; D192-S194 VanDerWaalsContact OD1-CA 3.29Å; D192-S194 WeakPolarHBondContact OD1-CA 3.02Å; D192-S194 WeakPolarHBondContact OD1-CB 3.17Å; D192-S194 PolarHBondContact OD1-N 3.18Å; D192-S194 PolarHBondContact OD1-OG 2.97Å; D192-S194 PolarHBondContact OD2-OG 3.47Å; D192-S194 VanDerWaalsContact OD2-OG 3.06Å; S194-S196 WeakPolarHBondContact OG-CB 3.37Å; S194-S196 PolarHBondContact OG-OG 2.63Å
195G90.2Very high94.9Very high28 Ų2841.7 Ų41.729%0.28923%0.233SC..SBendtrans87.310.7-172.300000113.8D192D192-G195 PolarHBondContact O-N 3.47Å; D192-G195 PolarHBondContact OD1-N 3.45Å
196S92.1Very high94.9Very high63 Ų6341.8 Ų41.844%0.44123%0.233SC..  trans-84.9143.7175.8-580000110.6I191 D192 S194 I198I191-S196 WeakPolarHBondContact CA-O 3.49Å; I191-S196 WeakPolarHBondContact CG2-O 3.26Å; D192-S196 PolarHBondContact N-O 3.39Å; D192-S196 WeakPolarHBondContact OD1-CB 2.99Å; D192-S196 PolarHBondContact OD1-N 2.94Å; S194-S196 WeakPolarHBondContact OG-CB 3.37Å; S194-S196 PolarHBondContact OG-OG 2.63Å; S196-I198 PolarHBondContact O-N 3.11Å
197T93.2Very high94.9Very high61 Ų6141.2 Ų41.237%0.37423%0.233SC..EExtended strand (participates in β ladder)trans-81.3119.5-179.7-53.10000109.6I191 A200 I272I191-T197 HydrophobicContact CD1-CG2 4.11Å; T197-A200 HydrophobicContact CG2-CB 3.57Å; T197-I272 HydrophobicContact CG2-CD1 3.98Å; T197-I272 HydrophobicContact CG2-CG1 4.21Å; T197-I272 VanDerWaalsContact OG1-CG1 3.29Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.49Å
198I93.8Very high95Very high83 Ų8341.5 Ų41.543%0.42624%0.235SC..EExtended strand (participates in β ladder)trans-83-53.3173.6-54.5-177.3000109.1I190 D192 S196I190-I198 HydrophobicContact CB-CB 4.36Å; I190-I198 HydrophobicContact CG2-CB 4.34Å; I190-I198 HydrophobicContact CG2-CD1 3.93Å; I190-I198 HydrophobicContact CG2-CG1 4.45Å; I190-I198 WeakPolarHBondContact O-CB 3.05Å; I190-I198 PolarHBondContact O-N 3.48Å; D192-I198 HydrophobicContact CB-CD1 3.79Å; D192-I198 HydrophobicContact CB-CG1 3.86Å; S196-I198 PolarHBondContact O-N 3.11Å
199T94.1Very high95.1Very high55 Ų5541.6 Ų41.634%0.33724%0.237SC..EExtended strand (participates in β ladder)trans-137.9146.1175.160.50000108.9A189 I190A189-T199 CarbonylContact C-O 3.58Å; A189-T199 VanDerWaalsContact CA-O 3.25Å; A189-T199 WeakPolarHBondContact CA-O 3.32Å; I190-T199 PolarHBondContact N-O 3.28Å; I190-T199 PolarHBondContact O-N 2.92Å
200A94Very high95.1Very high8 Ų841.5 Ų41.57%0.06624%0.237CC..EExtended strand (participates in β ladder)trans-155.4121.4171.300000109D188 A189 T197 C266 V270 I272D188-A200 CarbonylContact O-C 3.55Å; D188-A200 VanDerWaalsContact O-CA 3.28Å; D188-A200 WeakPolarHBondContact O-CA 3.42Å; A189-A200 HydrophobicContact CB-CB 4.12Å; T197-A200 HydrophobicContact CG2-CB 3.57Å; A200-C266 VanDerWaalsContact C-SG 3.6Å; A200-C266 PolarHBondContact N-SG 3.24Å; A200-C266 VanDerWaalsContact O-CA 3.25Å; A200-C266 WeakPolarHBondContact O-CA 3.39Å; A200-C266 PolarHBondContact O-SG 3.4Å; A200-C266 VanDerWaalsContact O-SG 3.36Å; A200-V270 HydrophobicContact CB-CB 3.75Å; A200-V270 HydrophobicContact CB-CG1 4.02Å; A200-V270 HydrophobicContact CB-CG2 4.27Å; A200-V270 WeakPolarHBondContact O-CG2 3.48Å; A200-I272 HydrophobicContact CB-CD1 3.76Å
201E94.4Very high95.1Very high60 Ų6043 Ų4328%0.2824%0.241SC..EExtended strand (participates in β ladder)trans-132.3157.1178.461.3-174-169.800109.9I187 D188 Q203 H263 V264I187-E201 WeakPolarHBondContact CA-O 3.23Å; D188-E201 HydrophobicContact CB-CG 3.75Å; D188-E201 PolarHBondContact N-O 2.96Å; D188-E201 PolarHBondContact O-N 3.49Å; E201-Q203 PolarHBondContact OE1-NE2 2.78Å; E201-Q203 VanDerWaalsContact OE1-NE2 3.14Å; E201-H263 IonicContact OE2-CE1 2.79Å; E201-H263 PolarHBondContact OE2-CE1 2.84Å; E201-H263 IonicContact OE2-NE2 3.96Å; E201-V264 WeakPolarHBondContact CA-O 3.19Å
202I95.6Very high95.1Very high1 Ų142.5 Ų42.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-122.6125177.1-61.7162.6000108.8E185 E186 H263 V264 V270 L384E185-I202 HydrophobicContact CB-CG2 3.73Å; E185-I202 HydrophobicContact CG-CG2 3.77Å; E186-I202 CarbonylContact O-C 3.49Å; E186-I202 VanDerWaalsContact O-CA 3.32Å; E186-I202 WeakPolarHBondContact O-CA 3.41Å; I202-H263 WeakPolarHBondContact O-CA 3.5Å; I202-V264 HydrophobicContact CB-CB 4.08Å; I202-V264 HydrophobicContact CB-CG2 4.36Å; I202-V264 PolarHBondContact N-O 2.87Å; I202-V264 PolarHBondContact O-N 2.87Å; I202-V270 HydrophobicContact CD1-CG1 3.78Å; I202-V270 HydrophobicContact CD1-CG2 4.19Å; I202-V270 HydrophobicContact CG1-CG1 3.97Å; I202-V270 HydrophobicContact CG1-CG2 4.36Å; I202-L384 HydrophobicContact CD1-CB 4.14Å
203Q96.6Very high95.2Very high60 Ų6041.9 Ų41.928%0.2824%0.237SC..EExtended strand (participates in β ladder)trans-99116.4165-56.888.2-6.100108.4E185 E186 D188 E201E185-Q203 WeakPolarHBondContact CA-O 3.3Å; E186-Q203 PolarHBondContact N-O 3.1Å; E186-Q203 PolarHBondContact O-N 3.09Å; E186-Q203 PolarHBondContact O-OE1 3.26Å; D188-Q203 PolarHBondContact OD2-NE2 3.28Å; D188-Q203 PolarHBondContact OD2-OE1 3.41Å; E201-Q203 PolarHBondContact OE1-NE2 2.78Å; E201-Q203 VanDerWaalsContact OE1-NE2 3.14Å
204G96.8Very high95.2Very high1 Ų134.9 Ų34.91%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-113.3147.7-178.100000112.5V184 S261 Y262V184-G204 CarbonylContact O-C 3.51Å; V184-G204 WeakPolarHBondContact O-CA 3.2Å; G204-S261 CarbonylContact O-C 3.52Å; G204-S261 VanDerWaalsContact O-CA 3.27Å; G204-S261 WeakPolarHBondContact O-CA 3.39Å; G204-Y262 PolarHBondContact N-O 3.08Å; G204-Y262 WeakPolarHBondContact O-CD1 3.36Å; G204-Y262 PolarHBondContact O-N 2.94Å
205V98.1Very high95.2Very high25 Ų2533.5 Ų33.515%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-133.5146.8171.5-58.70000109.8V183 V184 L260V183-V205 WeakPolarHBondContact CA-O 3.43Å; V184-V205 HydrophobicContact CB-CG2 3.89Å; V184-V205 PolarHBondContact N-O 3.47Å; V184-V205 PolarHBondContact O-N 3.23Å; V205-L260 WeakPolarHBondContact CA-O 3.47Å
206I98.2Very high95.5Very high1 Ų132.2 Ų32.21%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-114.4101.6167.6-53.9-174.9000107.1F181 D182 V183 F222 L259 L260 Y262 L387F181-I206 HydrophobicContact CB-CG2 4.22Å; F181-I206 HydrophobicContact CD1-CG2 4.15Å; D182-I206 WeakPolarHBondContact O-CA 3.37Å; V183-I206 HydrophobicContact CG2-CD1 4.37Å; V183-I206 HydrophobicContact CG2-CG1 4.21Å; I206-F222 HydrophobicContact CD1-CE1 3.74Å; I206-F222 HydrophobicContact CD1-CZ 3.66Å; I206-L259 HydrophobicContact CG2-CB 4.47Å; I206-L259 HydrophobicContact CG2-CD2 4.34Å; I206-L259 WeakPolarHBondContact O-CB 3.33Å; I206-L259 PolarHBondContact O-N 3.33Å; I206-L260 HydrophobicContact CB-CD1 4.17Å; I206-L260 HydrophobicContact CB-CG 4.09Å; I206-L260 HydrophobicContact CD1-CD1 3.78Å; I206-L260 HydrophobicContact CD1-CD2 4.08Å; I206-L260 HydrophobicContact CD1-CG 4Å; I206-L260 HydrophobicContact CG1-CD1 3.68Å; I206-L260 HydrophobicContact CG1-CG 4.06Å; I206-L260 PolarHBondContact N-O 2.81Å; I206-L260 PolarHBondContact O-N 3.27Å; I206-Y262 HydrophobicContact CG1-CE1 4.27Å; I206-L387 HydrophobicContact CD1-CD2 4.37Å
207D97.9Very high95.7Very high52 Ų5230.8 Ų30.828%0.27817%0.169SC..EExtended strand (participates in β ladder)trans-92.1137174.3-68.2-30.1000108.7F181 D182 R258F181-D207 CarbonylContact C-O 3.49Å; F181-D207 WeakPolarHBondContact CA-O 3.31Å; D182-D207 PolarHBondContact N-O 3.01Å; D182-D207 PolarHBondContact O-N 3.36Å; D207-R258 WeakPolarHBondContact OD1-CA 3.37Å; D207-R258 WeakPolarHBondContact OD1-CB 3.08Å; D207-R258 WeakPolarHBondContact OD1-CG 3.36Å; D207-R258 IonicContact OD1-CZ 3.95Å; D207-R258 IonicContact OD1-NE 2.76Å; D207-R258 PolarHBondContact OD1-NE 3.28Å; D207-R258 IonicContact OD1-NH2 3.99Å; D207-R258 PolarHBondContact OD1-NH2 3.47Å; D207-R258 IonicContact OD2-CZ 2.75Å; D207-R258 IonicContact OD2-NE 3.38Å; D207-R258 IonicContact OD2-NH2 3.8Å; D207-R258 PolarHBondContact OD2-NH2 2.98Å; D207-R258 VanDerWaalsContact OD2-NH2 3.08Å
208A97.8Very high95.9Very high5 Ų528 Ų284%0.04115%0.151CC..EExtended strand (participates in β ladder)trans-121.1140.1-174.300000110.7Y180 F181 V210 N256 F257Y180-A208 CarbonylContact O-C 3.59Å; Y180-A208 VanDerWaalsContact O-CA 3.26Å; Y180-A208 WeakPolarHBondContact O-CA 3.36Å; F181-A208 HydrophobicContact CD1-CB 3.78Å; F181-A208 HydrophobicContact CE1-CB 3.76Å; A208-V210 HydrophobicContact CB-CG2 4.26Å; A208-N256 CarbonylContact O-C 3.56Å; A208-N256 VanDerWaalsContact O-CA 3.28Å; A208-N256 WeakPolarHBondContact O-CA 3.36Å; A208-F257 HydrophobicContact CB-CD1 4.19Å; A208-F257 HydrophobicContact CB-CE1 3.67Å; A208-F257 HydrophobicContact CB-CE2 4.25Å; A208-F257 HydrophobicContact CB-CZ 3.68Å; A208-F257 PolarHBondContact N-O 2.94Å; A208-F257 PolarHBondContact O-N 3.18Å
209C96.7Very high96.1Very high26 Ų2624.3 Ų24.318%0.17613%0.133CC..EExtended strand (participates in β ladder)trans-118.2104.5166.7-176.10000108A179 Y180 G255 N256A179-C209 WeakPolarHBondContact CA-O 3.41Å; Y180-C209 PolarHBondContact N-O 3.31Å; Y180-C209 PolarHBondContact O-N 3.13Å; C209-G255 WeakPolarHBondContact CA-O 3.26Å; C209-N256 VanDerWaalsContact CB-OD1 3.3Å; C209-N256 WeakPolarHBondContact CB-OD1 3.38Å; C209-N256 PolarHBondContact SG-OD1 3.32Å
210V96.8Very high96.3Very high0 Ų021.8 Ų21.80%012%0.117CC..EExtended strand (participates in β ladder)trans-114112.3-174.6179.70000109.9A179 F181 A208 L212 P252 G255 F257A179-V210 HydrophobicContact CB-CG2 4.39Å; F181-V210 HydrophobicContact CZ-CG2 4.46Å; A208-V210 HydrophobicContact CB-CG2 4.26Å; V210-L212 HydrophobicContact CG1-CB 4Å; V210-L212 HydrophobicContact CG1-CD1 3.58Å; V210-L212 HydrophobicContact CG1-CG 3.54Å; V210-P252 HydrophobicContact CB-CB 4.19Å; V210-P252 HydrophobicContact CB-CG 4.4Å; V210-P252 HydrophobicContact CG1-CB 3.96Å; V210-P252 HydrophobicContact CG1-CG 3.63Å; V210-P252 HydrophobicContact CG2-CB 3.95Å; V210-P252 HydrophobicContact CG2-CG 4.38Å; V210-G255 PolarHBondContact N-O 3.12Å; V210-G255 PolarHBondContact O-N 3.46Å; V210-F257 HydrophobicContact CB-CE1 4.2Å; V210-F257 HydrophobicContact CG2-CE1 3.7Å; V210-F257 HydrophobicContact CG2-CZ 4.27Å
211K96.4Very high96.4Very high72 Ų7222.2 Ų22.231%0.31312%0.12SC..EExtended strand (participates in β ladder)trans-118.180.3173.2-60.7-176.5-156.6149.20108.7Y174 N177 E178Y174-K211 HydrophobicContact CD1-CB 3.98Å; Y174-K211 HydrophobicContact CD2-CB 4.01Å; Y174-K211 HydrophobicContact CE1-CB 3.81Å; Y174-K211 HydrophobicContact CE1-CD 4.1Å; Y174-K211 HydrophobicContact CE1-CG 3.99Å; Y174-K211 VanDerWaalsContact CE2-CA 3.45Å; Y174-K211 HydrophobicContact CE2-CB 3.81Å; Y174-K211 HydrophobicContact CE2-CG 4.49Å; Y174-K211 HydrophobicContact CG-CB 4.07Å; N177-K211 CarbonylContact C-O 3.53Å; N177-K211 WeakPolarHBondContact CA-O 3.11Å; E178-K211 HydrophobicContact CG-CB 3.94Å; E178-K211 HydrophobicContact CG-CD 4.31Å; E178-K211 HydrophobicContact CG-CG 4.48Å; E178-K211 PolarHBondContact N-O 3.47Å; E178-K211 CarbonylContact O-C 3.48Å; E178-K211 PolarHBondContact O-N 3.02Å; E178-K211 WeakPolarHBondContact OE1-CD 3.25Å; E178-K211 IonicContact OE1-NZ 3.64Å; E178-K211 PolarHBondContact OE1-NZ 3.48Å
212L96.2Very high96.5Very high0 Ų019.9 Ų19.90%011%0.109CC..  trans-121.5139.2-175.2-66.9-177000109.8R168 V172 N177 A179 V210 P216 L218 M394 Y399 P401R168-L212 PolarHBondContact NH2-O 3Å; V172-L212 WeakPolarHBondContact CG1-O 3.09Å; N177-L212 HydrophobicContact CB-CD2 4.05Å; A179-L212 HydrophobicContact CB-CD1 4.35Å; V210-L212 HydrophobicContact CG1-CB 4Å; V210-L212 HydrophobicContact CG1-CD1 3.58Å; V210-L212 HydrophobicContact CG1-CG 3.54Å; L212-P216 HydrophobicContact CB-CB 4.45Å; L212-P216 HydrophobicContact CB-CG 3.73Å; L212-P216 HydrophobicContact CD1-CB 3.89Å; L212-P216 HydrophobicContact CD1-CG 3.7Å; L212-P216 HydrophobicContact CG-CG 4.38Å; L212-L218 HydrophobicContact CD1-CD1 4.21Å; L212-L218 HydrophobicContact CD1-CD2 4.16Å; L212-M394 HydrophobicContact CD1-SD 4.23Å; L212-Y399 WeakPolarHBondContact CB-OH 3.14Å; L212-Y399 HydrophobicContact CD2-CE2 4.09Å; L212-P401 HydrophobicContact CD2-CB 3.49Å; L212-P401 VanDerWaalsContact CD2-CB 3.49Å; L212-P401 HydrophobicContact CD2-CG 4.2Å
213T95.2Very high96.4Very high31 Ų3125.3 Ų25.319%0.1914%0.136CC..SBendtrans-75.4144.4176.9-62.10000110.6V172 K173 Y174 N177 Y399V172-T213 CarbonylContact O-C 3.42Å; V172-T213 VanDerWaalsContact O-CA 3.31Å; V172-T213 WeakPolarHBondContact O-CA 3.26Å; V172-T213 WeakPolarHBondContact O-CG2 3.34Å; K173-T213 HydrophobicContact CG-CG2 4.19Å; Y174-T213 PolarHBondContact N-OG1 2.99Å; Y174-T213 PolarHBondContact O-OG1 2.85Å; N177-T213 VanDerWaalsContact OD1-CB 3.23Å; N177-T213 WeakPolarHBondContact OD1-CB 3.32Å; N177-T213 PolarHBondContact OD1-N 2.96Å; N177-T213 PolarHBondContact OD1-OG1 2.85Å; T213-Y399 PolarHBondContact N-OH 3.11Å; T213-Y399 VanDerWaalsContact N-OH 3.1Å; T213-Y399 PolarHBondContact O-OH 2.86Å
214G92.7Very high96.1Very high14 Ų1425.1 Ų25.114%0.14414%0.136CC..SBendtrans73.6-141.7173.800000113.9R168 V172 P216 E397R168-G214 PolarHBondContact NE-O 2.93Å; R168-G214 PolarHBondContact NH2-O 3.3Å; V172-G214 PolarHBondContact O-N 2.82Å; G214-P216 VanDerWaalsContact C-CD 3.43Å; G214-P216 WeakPolarHBondContact O-CD 3.31Å; G214-E397 WeakPolarHBondContact CA-OE1 3.33Å
215M93.1Very high95.8Very high58 Ų5826.5 Ų26.529%0.28615%0.145SC..  trans-122.167.1-175.1-65.9-64.2-73.900110.6V165 R168 D217 I251 E397V165-M215 HydrophobicContact CB-CE 4.15Å; V165-M215 HydrophobicContact CG1-CE 4.06Å; V165-M215 HydrophobicContact CG2-CE 4.39Å; R168-M215 HydrophobicContact CB-CE 4.45Å; R168-M215 HydrophobicContact CG-CE 4.46Å; R168-M215 HydrophobicContact CG-SD 3.95Å; M215-D217 PolarHBondContact O-N 3.06Å; M215-I251 HydrophobicContact CE-CG2 4.13Å; M215-E397 PolarHBondContact N-OE1 3.29Å
216P95.6Very high95.3Very high0 Ų034.1 Ų34.10%017%0.171CC..  trans-65133.2-178.730.6-38.1000111.1L212 G214 L218 P252 M394 E397L212-P216 HydrophobicContact CB-CB 4.45Å; L212-P216 HydrophobicContact CB-CG 3.73Å; L212-P216 HydrophobicContact CD1-CB 3.89Å; L212-P216 HydrophobicContact CD1-CG 3.7Å; L212-P216 HydrophobicContact CG-CG 4.38Å; G214-P216 VanDerWaalsContact C-CD 3.43Å; G214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-L218 HydrophobicContact CB-CD2 4.44Å; P216-P252 HydrophobicContact CG-CG 4.23Å; P216-P252 WeakPolarHBondContact O-CD 3.15Å; P216-M394 HydrophobicContact CB-CG 3.9Å; P216-M394 HydrophobicContact CB-SD 3.91Å; P216-E397 HydrophobicContact CB-CG 4.23Å
217D96.3Very high94.7Very high33 Ų3335.7 Ų35.718%0.17618%0.18CC..EExtended strand (participates in β ladder)trans-99.1114.5168.5-167.9-26.1000108.1M215 R238 I251 M394 Y395M215-D217 PolarHBondContact O-N 3.06Å; D217-R238 IonicContact OD1-CZ 2.7Å; D217-R238 IonicContact OD1-NH1 2.86Å; D217-R238 PolarHBondContact OD1-NH1 2.95Å; D217-R238 IonicContact OD1-NH2 3.83Å; D217-R238 IonicContact OD2-CZ 2.86Å; D217-R238 IonicContact OD2-NH1 3.37Å; D217-R238 PolarHBondContact OD2-NH1 2.98Å; D217-R238 IonicContact OD2-NH2 3.08Å; D217-R238 PolarHBondContact OD2-NH2 3.04Å; D217-I251 HydrophobicContact CB-CG1 4.33Å; D217-M394 CarbonylContact O-C 3.46Å; D217-M394 WeakPolarHBondContact O-CA 3.31Å; D217-Y395 PolarHBondContact N-O 3.43Å; D217-Y395 WeakPolarHBondContact O-CD2 3.46Å; D217-Y395 PolarHBondContact O-N 2.72Å
218L97.9Very high94.2Very high2 Ų233.3 Ų33.31%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-99.8144.9-176.8-62-173.1000111.1F181 L212 P216 S249 F250 P252 L392 D393 M394F181-L218 HydrophobicContact CZ-CD1 4.18Å; L212-L218 HydrophobicContact CD1-CD1 4.21Å; L212-L218 HydrophobicContact CD1-CD2 4.16Å; P216-L218 HydrophobicContact CB-CD2 4.44Å; L218-S249 WeakPolarHBondContact O-CA 3.01Å; L218-F250 HydrophobicContact CB-CD2 4.33Å; L218-F250 HydrophobicContact CB-CE1 4.16Å; L218-F250 HydrophobicContact CB-CE2 3.97Å; L218-F250 HydrophobicContact CB-CZ 3.88Å; L218-F250 HydrophobicContact CD1-CE2 3.85Å; L218-F250 HydrophobicContact CD1-CZ 4.12Å; L218-F250 HydrophobicContact CG-CE2 4.44Å; L218-F250 PolarHBondContact N-O 2.95Å; L218-F250 PolarHBondContact O-N 2.71Å; L218-P252 HydrophobicContact CD1-CB 4.37Å; L218-P252 HydrophobicContact CD1-CG 3.73Å; L218-P252 HydrophobicContact CG-CG 4.14Å; L218-L392 HydrophobicContact CB-CD1 4.36Å; L218-D393 WeakPolarHBondContact CA-O 3.25Å; L218-M394 HydrophobicContact CD2-CB 3.61Å; L218-M394 HydrophobicContact CD2-CG 3.63Å
219T97.8Very high93.5Very high7 Ų739 Ų394%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-127.4116.9171-64.40000110I247 L248 L392 D393T219-I247 HydrophobicContact CG2-CG2 3.23Å; T219-L248 CarbonylContact C-O 3.55Å; T219-L248 VanDerWaalsContact CA-O 3.25Å; T219-L248 WeakPolarHBondContact CA-O 3.45Å; T219-L392 CarbonylContact O-C 3.57Å; T219-L392 VanDerWaalsContact O-CA 3.32Å; T219-L392 WeakPolarHBondContact O-CA 3.42Å; T219-D393 PolarHBondContact N-O 2.88Å; T219-D393 PolarHBondContact O-N 2.83Å
220L97.5Very high93.2Very high1 Ų142.2 Ų42.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-113.8126.9178.9-177.469.4000109.6F181 F222 L248 F250 L259 V389 R391 L392F181-L220 HydrophobicContact CD1-CD2 4.42Å; L220-F222 HydrophobicContact CD2-CE1 4.48Å; L220-F222 HydrophobicContact CD2-CZ 4.05Å; L220-F222 HydrophobicContact CG-CZ 4.35Å; L220-L248 HydrophobicContact CB-CB 4.15Å; L220-L248 HydrophobicContact CB-CD1 4.38Å; L220-L248 HydrophobicContact CD2-CD1 3.99Å; L220-L248 HydrophobicContact CG-CD1 4.41Å; L220-L248 PolarHBondContact N-O 3.39Å; L220-L248 WeakPolarHBondContact O-CB 3.42Å; L220-L248 PolarHBondContact O-N 3.41Å; L220-F250 HydrophobicContact CB-CE1 4.06Å; L220-L259 HydrophobicContact CD2-CD2 3.9Å; L220-V389 HydrophobicContact CD1-CB 4.36Å; L220-V389 HydrophobicContact CD1-CG1 3.37Å; L220-V389 HydrophobicContact CD1-CG2 4.06Å; L220-V389 HydrophobicContact CG-CG1 4.48Å; L220-R391 WeakPolarHBondContact CA-O 3.35Å; L220-L392 HydrophobicContact CB-CD1 4.16Å; L220-L392 HydrophobicContact CD1-CB 4Å; L220-L392 HydrophobicContact CD1-CD1 4.09Å
221S96.6Very high93.1Very high17 Ų1743.4 Ų43.412%0.11922%0.219CC..EExtended strand (participates in β ladder)trans-123.8150.6179.861.60000111.1N390 R391S221-N390 PolarHBondContact O-N 2.65Å; S221-R391 PolarHBondContact N-O 3.16Å; S221-R391 PolarHBondContact O-N 2.79Å; S221-R391 WeakPolarHBondContact OG-CB 3.19Å; S221-R391 PolarHBondContact OG-N 2.84Å; S221-R391 PolarHBondContact OG-O 3.05Å
222F96.2Very high93.1Very high11 Ų1143.6 Ų43.65%0.04823%0.23CC..EExtended strand (participates in β ladder)trans-112.2152.6179.7-56.6-82.7000111I206 L220 N224 P225 L228 W242 L248 L387 K388 V389I206-F222 HydrophobicContact CD1-CE1 3.74Å; I206-F222 HydrophobicContact CD1-CZ 3.66Å; L220-F222 HydrophobicContact CD2-CE1 4.48Å; L220-F222 HydrophobicContact CD2-CZ 4.05Å; L220-F222 HydrophobicContact CG-CZ 4.35Å; F222-N224 VanDerWaalsContact C-N 3.31Å; F222-P225 HydrophobicContact CB-CB 4.45Å; F222-L228 HydrophobicContact CD1-CD1 4.44Å; F222-L228 HydrophobicContact CD2-CD1 3.54Å; F222-L228 HydrophobicContact CE1-CD1 4.33Å; F222-L228 HydrophobicContact CE2-CD1 3.4Å; F222-L228 VanDerWaalsContact CE2-CD1 3.4Å; F222-L228 HydrophobicContact CG-CD1 4.07Å; F222-L228 HydrophobicContact CZ-CD1 3.83Å; F222-W242 HydrophobicContact CD2-CZ3 4.42Å; F222-W242 HydrophobicContact CE2-CZ3 4.42Å; F222-L248 HydrophobicContact CE2-CD1 3.45Å; F222-L248 VanDerWaalsContact CE2-CD1 3.45Å; F222-L248 HydrophobicContact CE2-CG 3.98Å; F222-L248 HydrophobicContact CZ-CD1 3.65Å; F222-L387 HydrophobicContact CB-CD1 4.22Å; F222-L387 HydrophobicContact CD1-CD1 3.63Å; F222-L387 HydrophobicContact CD1-CD2 4.38Å; F222-L387 HydrophobicContact CD1-CG 4.02Å; F222-L387 HydrophobicContact CE1-CD1 4.19Å; F222-L387 HydrophobicContact CE1-CD2 4.18Å; F222-L387 HydrophobicContact CE1-CG 4.3Å; F222-L387 HydrophobicContact CG-CD1 3.99Å; F222-K388 CarbonylContact C-O 3.58Å; F222-K388 WeakPolarHBondContact CA-O 3.46Å; F222-V389 HydrophobicContact CD1-CG2 4.06Å; F222-V389 HydrophobicContact CE1-CG2 3.85Å
223M94.9Very high93.1Very high116 Ų11645.9 Ų45.957%0.57124%0.24SC*.SBendtrans-64.1-38.3175.6-71.2-66.3-62.800111.6K388 N390M223-K388 HydrophobicContact CB-CB 4.33Å; M223-K388 HydrophobicContact CG-CB 4.1Å; M223-K388 HydrophobicContact CG-CD 4.17Å; M223-K388 HydrophobicContact CG-CG 4.09Å; M223-K388 PolarHBondContact N-O 3.34Å; M223-N390 HydrophobicContact CG-CB 4.02Å; M223-N390 HydrophobicContact SD-CB 3.77Å; M223-N390 PolarHBondContact SD-OD1 3.5Å
224N90.6Very high93.1Very high55 Ų5546.1 Ų46.129%0.29424%0.238SC..  trans-136.488175.6-176.312.9000109.7F222 R226 L227F222-N224 VanDerWaalsContact C-N 3.31Å; N224-R226 PolarHBondContact O-N 3.46Å; N224-R226 WeakPolarHBondContact OD1-CB 3.41Å; N224-R226 PolarHBondContact OD1-N 3.3Å; N224-L227 HydrophobicContact CB-CD1 4.32Å; N224-L227 PolarHBondContact O-N 2.92Å
225P90.2Very high93.1Very high31 Ų3149.3 Ų49.320%0.20126%0.257CS..G310 helixtrans-72-9.7-178.529.2-34.6000113.6F222 L227 L228 W242 R246F222-P225 HydrophobicContact CB-CB 4.45Å; P225-L227 PolarHBondContact O-N 2.91Å; P225-L228 WeakPolarHBondContact O-CB 3.48Å; P225-L228 PolarHBondContact O-N 3.07Å; P225-W242 HydrophobicContact CB-CH2 4.1Å; P225-R246 HydrophobicContact CB-CB 3.84Å; P225-R246 HydrophobicContact CG-CB 3.82Å; P225-R246 HydrophobicContact CG-CG 4.48Å
226R86.9Confident93.2Very high184 Ų18446.7 Ų46.769%0.69424%0.244SC*.G310 helixtrans-67.6-10.8175.1-61.5-171.7-66.1-102.8-1.7113.5N224 L228N224-R226 PolarHBondContact O-N 3.46Å; N224-R226 WeakPolarHBondContact OD1-CB 3.41Å; N224-R226 PolarHBondContact OD1-N 3.3Å; R226-L228 PolarHBondContact O-N 3.41Å
227L85.8Confident93.3Very high35 Ų3547.3 Ų47.318%0.18325%0.248CC..G310 helixtrans-74.7-9.9171.4-62172.4000112.1N224 P225 S385 L387N224-L227 HydrophobicContact CB-CD1 4.32Å; N224-L227 PolarHBondContact O-N 2.92Å; P225-L227 PolarHBondContact O-N 2.91Å; L227-S385 VanDerWaalsContact CD1-O 3.31Å; L227-S385 WeakPolarHBondContact CD1-O 3.29Å; L227-L387 HydrophobicContact CB-CD1 4.49Å; L227-L387 HydrophobicContact CD1-CB 4.45Å
228L87.3Confident93.3Very high2 Ų250.8 Ų50.81%0.0126%0.258CS..  trans-111.856.2-175.4-64.2178.7000109.9F222 P225 R226 V231 W242 Y262 L387F222-L228 HydrophobicContact CD1-CD1 4.44Å; F222-L228 HydrophobicContact CD2-CD1 3.54Å; F222-L228 HydrophobicContact CE1-CD1 4.33Å; F222-L228 HydrophobicContact CE2-CD1 3.4Å; F222-L228 VanDerWaalsContact CE2-CD1 3.4Å; F222-L228 HydrophobicContact CG-CD1 4.07Å; F222-L228 HydrophobicContact CZ-CD1 3.83Å; P225-L228 WeakPolarHBondContact O-CB 3.48Å; P225-L228 PolarHBondContact O-N 3.07Å; R226-L228 PolarHBondContact O-N 3.41Å; L228-V231 HydrophobicContact CB-CG2 3.62Å; L228-V231 HydrophobicContact CD2-CG2 4.32Å; L228-V231 WeakPolarHBondContact O-CG2 3.22Å; L228-W242 HydrophobicContact CB-CH2 3.9Å; L228-W242 HydrophobicContact CB-CZ2 3.89Å; L228-W242 HydrophobicContact CD1-CH2 3.83Å; L228-Y262 VanDerWaalsContact CD2-CB 3.48Å; L228-Y262 HydrophobicContact CD2-CD1 3.7Å; L228-Y262 HydrophobicContact CD2-CD2 3.7Å; L228-Y262 HydrophobicContact CD2-CE1 4.3Å; L228-Y262 HydrophobicContact CD2-CE2 4.32Å; L228-Y262 HydrophobicContact CD2-CG 3.34Å; L228-L387 HydrophobicContact CD1-CD1 3.99Å; L228-L387 HydrophobicContact CD2-CD1 4.21Å; L228-L387 HydrophobicContact CD2-CD2 4.09Å; L228-L387 HydrophobicContact CG-CD1 3.95Å
229D82.3Confident93.1Very high124 Ų12456.2 Ų56.266%0.66328%0.282SS*.SBendtrans-87.5-33.4-179.9-74.7-19000112.7
230D91.3Very high93Very high93 Ų9364.2 Ų64.250%0.49732%0.316SS..EExtended strand (participates in β ladder)trans-110.2103.2171.4-175.67.9000109.1Y262 H263D230-Y262 CarbonylContact O-C 3.51Å; D230-Y262 VanDerWaalsContact O-CA 3.23Å; D230-Y262 WeakPolarHBondContact O-CA 3.39Å; D230-H263 HydrophobicContact CB-CB 4.24Å; D230-H263 PolarHBondContact O-N 3.18Å; D230-H263 IonicContact OD2-CD2 3.21Å
231V94.5Very high92.9Very high26 Ų2668 Ų6816%0.15833%0.331CS..EExtended strand (participates in β ladder)trans-142.6134.7-169.5-168.30000111.1L228 F233 L260 S261L228-V231 HydrophobicContact CB-CG2 3.62Å; L228-V231 HydrophobicContact CD2-CG2 4.32Å; L228-V231 WeakPolarHBondContact O-CG2 3.22Å; V231-F233 HydrophobicContact CB-CE1 4.21Å; V231-F233 HydrophobicContact CB-CE2 4.11Å; V231-F233 HydrophobicContact CB-CZ 3.74Å; V231-F233 HydrophobicContact CG1-CD1 3.9Å; V231-F233 HydrophobicContact CG1-CD2 4.5Å; V231-F233 HydrophobicContact CG1-CE1 3.34Å; V231-F233 HydrophobicContact CG1-CE2 4.03Å; V231-F233 HydrophobicContact CG1-CG 4.43Å; V231-F233 HydrophobicContact CG1-CZ 3.4Å; V231-F233 HydrophobicContact CG2-CZ 4.41Å; V231-L260 HydrophobicContact CG1-CB 4.06Å; V231-L260 HydrophobicContact CG1-CD1 4.25Å; V231-L260 HydrophobicContact CG1-CD2 4.4Å; V231-L260 HydrophobicContact CG1-CG 4.48Å; V231-S261 CarbonylContact C-O 3.6Å; V231-S261 WeakPolarHBondContact CA-O 3.44Å; V231-S261 WeakPolarHBondContact CG1-O 3.45Å
232S95.9Very high92.9Very high75 Ų7567.7 Ų67.752%0.52433%0.327SS..EExtended strand (participates in β ladder)trans-108.3126.1167.5-64.20000109.3L260 S261S232-L260 CarbonylContact O-C 3.55Å; S232-L260 WeakPolarHBondContact O-CA 2.98Å; S232-L260 WeakPolarHBondContact O-CB 3.49Å; S232-S261 PolarHBondContact N-O 2.78Å; S232-S261 PolarHBondContact O-N 2.92Å
233F96.8Very high92.8Very high48 Ų4872.9 Ų72.921%0.21135%0.351CS..EExtended strand (participates in β ladder)trans-101.2150.3-177.5-61.3-70.1000112V231 V237 F239 W242 L248 L260V231-F233 HydrophobicContact CB-CE1 4.21Å; V231-F233 HydrophobicContact CB-CE2 4.11Å; V231-F233 HydrophobicContact CB-CZ 3.74Å; V231-F233 HydrophobicContact CG1-CD1 3.9Å; V231-F233 HydrophobicContact CG1-CD2 4.5Å; V231-F233 HydrophobicContact CG1-CE1 3.34Å; V231-F233 HydrophobicContact CG1-CE2 4.03Å; V231-F233 HydrophobicContact CG1-CG 4.43Å; V231-F233 HydrophobicContact CG1-CZ 3.4Å; V231-F233 HydrophobicContact CG2-CZ 4.41Å; F233-V237 HydrophobicContact CB-CB 3.94Å; F233-V237 HydrophobicContact CB-CG1 4.42Å; F233-V237 HydrophobicContact CB-CG2 4.09Å; F233-V237 HydrophobicContact CD1-CB 4.27Å; F233-V237 HydrophobicContact CD1-CG1 3.99Å; F233-V237 HydrophobicContact CD1-CG2 4.16Å; F233-V237 HydrophobicContact CG-CB 4.22Å; F233-V237 HydrophobicContact CG-CG1 4.16Å; F233-V237 HydrophobicContact CG-CG2 4.45Å; F233-F239 HydrophobicContact CD2-CD2 4.08Å; F233-F239 HydrophobicContact CD2-CE2 4.47Å; F233-F239 HydrophobicContact CE2-CD2 4.19Å; F233-F239 HydrophobicContact CE2-CE2 4.28Å; F233-W242 HydrophobicContact CE1-CD2 4.33Å; F233-W242 HydrophobicContact CE1-CG 4.47Å; F233-W242 AromaticContact CE2-CD1 3.56Å; F233-W242 HydrophobicContact CE2-CG 4.09Å; F233-W242 AromaticContact CE2-NE1 3.75Å; F233-W242 AromaticContact CZ-CD1 3.47Å; F233-W242 VanDerWaalsContact CZ-CD1 3.47Å; F233-W242 AromaticContact CZ-CD2 3.77Å; F233-W242 HydrophobicContact CZ-CD2 3.77Å; F233-W242 AromaticContact CZ-CE2 3.57Å; F233-W242 AromaticContact CZ-CG 3.73Å; F233-W242 HydrophobicContact CZ-CG 3.73Å; F233-W242 HydrophobicContact CZ-CZ2 4.24Å; F233-W242 AromaticContact CZ-NE1 3.36Å; F233-L248 HydrophobicContact CD1-CD2 3.9Å; F233-L248 HydrophobicContact CE1-CD2 3.41Å; F233-L248 VanDerWaalsContact CE1-CD2 3.41Å; F233-L248 HydrophobicContact CZ-CD2 4.28Å; F233-L260 HydrophobicContact CD1-CB 3.91Å; F233-L260 HydrophobicContact CD1-CD2 4.19Å; F233-L260 HydrophobicContact CE1-CB 4.34Å; F233-L260 HydrophobicContact CE1-CD2 3.97Å
234H95.1Very high92.9Very high36 Ų3671.4 Ų71.417%0.16736%0.357CS..  trans-59.5144.7158.4-165.7-85.4000109.8C236 V237 P253 F257 R258 L259H234-C236 WeakPolarHBondContact ND1-CB 3.38Å; H234-C236 PolarHBondContact ND1-N 3.02Å; H234-C236 VanDerWaalsContact ND1-N 3.12Å; H234-C236 PolarHBondContact ND1-SG 3.21Å; H234-C236 PolarHBondContact O-N 3.24Å; H234-V237 PolarHBondContact O-N 3.26Å; H234-P253 VanDerWaalsContact CE1-CG 3.42Å; H234-P253 WeakPolarHBondContact CE1-CG 3.13Å; H234-F257 AromaticContact CD2-CD2 3.93Å; H234-R258 WeakPolarHBondContact CB-O 3.42Å; H234-R258 PolarHBondContact CD2-O 3.43Å; H234-L259 WeakPolarHBondContact CB-O 3.2Å; H234-L259 PolarHBondContact N-O 3.1Å
235P92.6Very high93.1Very high82 Ų8273.6 Ų73.653%0.53237%0.366SS..THydrogen-bonded Turntrans-53.2-16.4175-29.735.7000115.5W167 V237W167-P235 HydrophobicContact CE3-CB 4.06Å; W167-P235 VanDerWaalsContact CH2-O 3.25Å; W167-P235 WeakPolarHBondContact CH2-O 3.42Å; W167-P235 HydrophobicContact CZ3-CB 4Å; W167-P235 WeakPolarHBondContact CZ3-O 3.28Å; P235-V237 PolarHBondContact O-N 2.82Å
236C95Very high93.3Very high3 Ų376.9 Ų76.92%0.0237%0.374CS..THydrogen-bonded Turntrans-72.9-17.6179.271.10000113.8W167 H234 F250 I251W167-C236 HydrophobicContact CD2-CB 3.92Å; W167-C236 VanDerWaalsContact CE2-CA 3.49Å; W167-C236 VanDerWaalsContact CE2-CB 3.45Å; W167-C236 HydrophobicContact CG-CB 4.15Å; W167-C236 VanDerWaalsContact CZ2-CA 3.44Å; W167-C236 HydrophobicContact CZ2-CB 3.91Å; W167-C236 VanDerWaalsContact NE1-CB 3.28Å; H234-C236 WeakPolarHBondContact ND1-CB 3.38Å; H234-C236 PolarHBondContact ND1-N 3.02Å; H234-C236 VanDerWaalsContact ND1-N 3.12Å; H234-C236 PolarHBondContact ND1-SG 3.21Å; H234-C236 PolarHBondContact O-N 3.24Å; C236-F250 HydrophobicContact CB-CB 4.31Å; C236-F250 VanDerWaalsContact O-CA 3.25Å; C236-F250 WeakPolarHBondContact O-CA 3.26Å; C236-F250 WeakPolarHBondContact O-CB 3.26Å; C236-I251 WeakPolarHBondContact CB-O 3.41Å
237V97.2Very high93.7Very high12 Ų1270.2 Ų70.27%0.07335%0.352CS..BIsolated β-bridgetrans-81.2126.9-179.4-177.30000110.4F233 H234 P235 F239 L248 F250 L259F233-V237 HydrophobicContact CB-CB 3.94Å; F233-V237 HydrophobicContact CB-CG1 4.42Å; F233-V237 HydrophobicContact CB-CG2 4.09Å; F233-V237 HydrophobicContact CD1-CB 4.27Å; F233-V237 HydrophobicContact CD1-CG1 3.99Å; F233-V237 HydrophobicContact CD1-CG2 4.16Å; F233-V237 HydrophobicContact CG-CB 4.22Å; F233-V237 HydrophobicContact CG-CG1 4.16Å; F233-V237 HydrophobicContact CG-CG2 4.45Å; H234-V237 PolarHBondContact O-N 3.26Å; P235-V237 PolarHBondContact O-N 2.82Å; V237-F239 PolarHBondContact O-N 2.9Å; V237-L248 HydrophobicContact CG1-CD2 3.86Å; V237-F250 HydrophobicContact CG2-CB 4.36Å; V237-L259 HydrophobicContact CG2-CD1 3.77Å
238R96.6Very high94.2Very high106 Ų10668.5 Ų68.540%0.434%0.343SS..  trans-73.789.1175.2-63176.6-176.3152.3-1.5110.2D217 K240 R241 W242 S249D217-R238 IonicContact OD1-CZ 2.7Å; D217-R238 IonicContact OD1-NH1 2.86Å; D217-R238 PolarHBondContact OD1-NH1 2.95Å; D217-R238 IonicContact OD1-NH2 3.83Å; D217-R238 IonicContact OD2-CZ 2.86Å; D217-R238 IonicContact OD2-NH1 3.37Å; D217-R238 PolarHBondContact OD2-NH1 2.98Å; D217-R238 IonicContact OD2-NH2 3.08Å; D217-R238 PolarHBondContact OD2-NH2 3.04Å; R238-K240 VanDerWaalsContact C-N 3.34Å; R238-K240 PolarHBondContact O-N 2.67Å; R238-R241 HydrophobicContact CB-CB 4.37Å; R238-R241 PolarHBondContact O-N 2.48Å; R238-W242 PolarHBondContact O-N 3.47Å; R238-S249 WeakPolarHBondContact CB-O 3.48Å; R238-S249 WeakPolarHBondContact CG-O 3.46Å; R238-S249 PolarHBondContact N-O 2.8Å; R238-S249 PolarHBondContact NH1-OG 2.87Å
239F94.8Very high94.7Very high117 Ų11768.4 Ų68.451%0.51334%0.342SS..Hα-helixtrans-51.3-45.7-174.3-176.2-98.3000114.2F233 V237 R241 W242 E243F233-F239 HydrophobicContact CD2-CD2 4.08Å; F233-F239 HydrophobicContact CD2-CE2 4.47Å; F233-F239 HydrophobicContact CE2-CD2 4.19Å; F233-F239 HydrophobicContact CE2-CE2 4.28Å; V237-F239 PolarHBondContact O-N 2.9Å; F239-R241 PolarHBondContact O-N 2.9Å; F239-R241 VanDerWaalsContact O-N 3.16Å; F239-W242 WeakPolarHBondContact O-CB 3.27Å; F239-W242 PolarHBondContact O-N 3.49Å; F239-E243 PolarHBondContact O-N 2.96Å
240K95.3Very high95.4Very high174 Ų17462.5 Ų62.576%0.75731%0.311SS*.Hα-helixtrans-56.5-35.1179.4-68-174177.1-178.20113.2R238 A244R238-K240 VanDerWaalsContact C-N 3.34Å; R238-K240 PolarHBondContact O-N 2.67Å; K240-A244 PolarHBondContact O-N 2.73Å
241R95.8Very high95.7Very high81 Ų8159.2 Ų59.231%0.30629%0.293SS..Hα-helixtrans-76.4-37.6178-172.3168.2177.9-167.35.5111.8R238 F239 E243 A244 E245 S249R238-R241 HydrophobicContact CB-CB 4.37Å; R238-R241 PolarHBondContact O-N 2.48Å; F239-R241 PolarHBondContact O-N 2.9Å; F239-R241 VanDerWaalsContact O-N 3.16Å; R241-E243 VanDerWaalsContact C-N 3.31Å; R241-A244 PolarHBondContact O-N 3.35Å; R241-E245 HydrophobicContact CG-CG 4.44Å; R241-E245 IonicContact CZ-OE2 3.58Å; R241-E245 IonicContact NE-OE1 3.52Å; R241-E245 IonicContact NE-OE2 3.97Å; R241-E245 PolarHBondContact NE-OE2 3.47Å; R241-E245 IonicContact NH2-OE2 3.36Å; R241-E245 PolarHBondContact NH2-OE2 3.45Å; R241-E245 WeakPolarHBondContact O-CB 3.44Å; R241-E245 PolarHBondContact O-N 3.21Å; R241-S249 PolarHBondContact NH1-OG 3.48Å; R241-S249 VanDerWaalsContact NH1-OG 3.15Å
242W95.9Very high95.7Very high10 Ų1058 Ų584%0.03829%0.286CS..Hα-helixtrans-60.3-42.3170.9169.5-102.6000111.9F222 P225 L228 F233 R238 F239 R246 L248F222-W242 HydrophobicContact CD2-CZ3 4.42Å; F222-W242 HydrophobicContact CE2-CZ3 4.42Å; P225-W242 HydrophobicContact CB-CH2 4.1Å; L228-W242 HydrophobicContact CB-CH2 3.9Å; L228-W242 HydrophobicContact CB-CZ2 3.89Å; L228-W242 HydrophobicContact CD1-CH2 3.83Å; F233-W242 HydrophobicContact CE1-CD2 4.33Å; F233-W242 HydrophobicContact CE1-CG 4.47Å; F233-W242 AromaticContact CE2-CD1 3.56Å; F233-W242 HydrophobicContact CE2-CG 4.09Å; F233-W242 AromaticContact CE2-NE1 3.75Å; F233-W242 AromaticContact CZ-CD1 3.47Å; F233-W242 VanDerWaalsContact CZ-CD1 3.47Å; F233-W242 AromaticContact CZ-CD2 3.77Å; F233-W242 HydrophobicContact CZ-CD2 3.77Å; F233-W242 AromaticContact CZ-CE2 3.57Å; F233-W242 AromaticContact CZ-CG 3.73Å; F233-W242 HydrophobicContact CZ-CG 3.73Å; F233-W242 HydrophobicContact CZ-CZ2 4.24Å; F233-W242 AromaticContact CZ-NE1 3.36Å; R238-W242 PolarHBondContact O-N 3.47Å; F239-W242 WeakPolarHBondContact O-CB 3.27Å; F239-W242 PolarHBondContact O-N 3.49Å; W242-R246 VanDerWaalsContact CE3-C 3.46Å; W242-R246 VanDerWaalsContact CZ3-C 3.46Å; W242-R246 HydrophobicContact CZ3-CB 4.36Å; W242-R246 VanDerWaalsContact CZ3-O 3.31Å; W242-R246 WeakPolarHBondContact CZ3-O 3.39Å; W242-R246 WeakPolarHBondContact O-CA 3.26Å; W242-R246 PolarHBondContact O-N 2.87Å; W242-R246 PolarHBondContact O-NH1 2.75Å; W242-L248 HydrophobicContact CD2-CD2 4.09Å; W242-L248 HydrophobicContact CE3-CD2 3.52Å; W242-L248 HydrophobicContact CE3-CG 4.04Å; W242-L248 HydrophobicContact CZ3-CD2 3.96Å; W242-L248 HydrophobicContact CZ3-CG 4.15Å
243E94.8Very high95.7Very high121 Ų12154.7 Ų54.757%0.56526%0.262SS*.Hα-helixtrans-61.8-45.7178.4-173.4175.2-126.100112.2F239 R241F239-E243 PolarHBondContact O-N 2.96Å; R241-E243 VanDerWaalsContact C-N 3.31Å
244A95.4Very high95.4Very high84 Ų8453.2 Ų53.269%0.69426%0.256SS*.Hα-helixtrans-78.1-42.8-177.400000114K240 R241K240-A244 PolarHBondContact O-N 2.73Å; R241-A244 PolarHBondContact O-N 3.35Å
245E95.1Very high95.3Very high101 Ų10152.3 Ų52.347%0.47226%0.257SS..Hα-helixtrans-112.8-11.7-167.2-62.7174-163.800113.5R241 I247R241-E245 HydrophobicContact CG-CG 4.44Å; R241-E245 IonicContact CZ-OE2 3.58Å; R241-E245 IonicContact NE-OE1 3.52Å; R241-E245 IonicContact NE-OE2 3.97Å; R241-E245 PolarHBondContact NE-OE2 3.47Å; R241-E245 IonicContact NH2-OE2 3.36Å; R241-E245 PolarHBondContact NH2-OE2 3.45Å; R241-E245 WeakPolarHBondContact O-CB 3.44Å; R241-E245 PolarHBondContact O-N 3.21Å; E245-I247 HydrophobicContact CB-CB 4.14Å; E245-I247 HydrophobicContact CB-CD1 4.1Å; E245-I247 HydrophobicContact CB-CG1 4.12Å; E245-I247 PolarHBondContact O-N 2.93Å
246R94.4Very high95.2Very high101 Ų10155 Ų5538%0.38127%0.267SS..SBendtrans53.837-168.9-62.7-66.1-175.2-128.25.7113P225 W242P225-R246 HydrophobicContact CB-CB 3.84Å; P225-R246 HydrophobicContact CG-CB 3.82Å; P225-R246 HydrophobicContact CG-CG 4.48Å; W242-R246 VanDerWaalsContact CE3-C 3.46Å; W242-R246 VanDerWaalsContact CZ3-C 3.46Å; W242-R246 HydrophobicContact CZ3-CB 4.36Å; W242-R246 VanDerWaalsContact CZ3-O 3.31Å; W242-R246 WeakPolarHBondContact CZ3-O 3.39Å; W242-R246 WeakPolarHBondContact O-CA 3.26Å; W242-R246 PolarHBondContact O-N 2.87Å; W242-R246 PolarHBondContact O-NH1 2.75Å
247I95.3Very high95.2Very high43 Ų4355.9 Ų55.922%0.22127%0.271CS..  trans-120.1131177.9-68.9175.5000108.8T219 E245 S249T219-I247 HydrophobicContact CG2-CG2 3.23Å; E245-I247 HydrophobicContact CB-CB 4.14Å; E245-I247 HydrophobicContact CB-CD1 4.1Å; E245-I247 HydrophobicContact CB-CG1 4.12Å; E245-I247 PolarHBondContact O-N 2.93Å; I247-S249 PolarHBondContact O-N 2.85Å
248L97.1Very high95.1Very high0 Ų061.3 Ų61.30%029%0.29CS..EExtended strand (participates in β ladder)trans-81.3115173.4-59174.1000108.9T219 L220 F222 F233 V237 W242 F250 L259 L260T219-L248 CarbonylContact C-O 3.55Å; T219-L248 VanDerWaalsContact CA-O 3.25Å; T219-L248 WeakPolarHBondContact CA-O 3.45Å; L220-L248 HydrophobicContact CB-CB 4.15Å; L220-L248 HydrophobicContact CB-CD1 4.38Å; L220-L248 HydrophobicContact CD2-CD1 3.99Å; L220-L248 HydrophobicContact CG-CD1 4.41Å; L220-L248 PolarHBondContact N-O 3.39Å; L220-L248 WeakPolarHBondContact O-CB 3.42Å; L220-L248 PolarHBondContact O-N 3.41Å; F222-L248 HydrophobicContact CE2-CD1 3.45Å; F222-L248 VanDerWaalsContact CE2-CD1 3.45Å; F222-L248 HydrophobicContact CE2-CG 3.98Å; F222-L248 HydrophobicContact CZ-CD1 3.65Å; F233-L248 HydrophobicContact CD1-CD2 3.9Å; F233-L248 HydrophobicContact CE1-CD2 3.41Å; F233-L248 VanDerWaalsContact CE1-CD2 3.41Å; F233-L248 HydrophobicContact CZ-CD2 4.28Å; V237-L248 HydrophobicContact CG1-CD2 3.86Å; W242-L248 HydrophobicContact CD2-CD2 4.09Å; W242-L248 HydrophobicContact CE3-CD2 3.52Å; W242-L248 HydrophobicContact CE3-CG 4.04Å; W242-L248 HydrophobicContact CZ3-CD2 3.96Å; W242-L248 HydrophobicContact CZ3-CG 4.15Å; L248-F250 HydrophobicContact CB-CD1 4.19Å; L248-F250 HydrophobicContact CB-CE1 4.16Å; L248-L259 HydrophobicContact CD1-CD2 4.21Å; L248-L260 HydrophobicContact CD1-CD2 3.47Å; L248-L260 VanDerWaalsContact CD1-CD2 3.47Å; L248-L260 HydrophobicContact CD2-CD2 4.16Å; L248-L260 HydrophobicContact CG-CD2 4.46Å
249S97.6Very high95.1Very high0 Ų056.3 Ų56.30%027%0.271CS..EExtended strand (participates in β ladder)trans-117.6126.7172.2176.70000109.1L218 R238 R241 I247L218-S249 WeakPolarHBondContact O-CA 3.01Å; R238-S249 WeakPolarHBondContact CB-O 3.48Å; R238-S249 WeakPolarHBondContact CG-O 3.46Å; R238-S249 PolarHBondContact N-O 2.8Å; R238-S249 PolarHBondContact NH1-OG 2.87Å; R241-S249 PolarHBondContact NH1-OG 3.48Å; R241-S249 VanDerWaalsContact NH1-OG 3.15Å; I247-S249 PolarHBondContact O-N 2.85Å
250F97.8Very high95.3Very high0 Ų050.8 Ų50.80%025%0.247CC..EExtended strand (participates in β ladder)trans-159.6150-172.557.1-79.2000112.1F181 L218 L220 C236 V237 L248 P252 F257 L259F181-F250 HydrophobicContact CE1-CE2 4.41Å; F181-F250 AromaticContact CE1-CZ 3.97Å; F181-F250 HydrophobicContact CE1-CZ 3.97Å; F181-F250 HydrophobicContact CZ-CZ 4.14Å; L218-F250 HydrophobicContact CB-CD2 4.33Å; L218-F250 HydrophobicContact CB-CE1 4.16Å; L218-F250 HydrophobicContact CB-CE2 3.97Å; L218-F250 HydrophobicContact CB-CZ 3.88Å; L218-F250 HydrophobicContact CD1-CE2 3.85Å; L218-F250 HydrophobicContact CD1-CZ 4.12Å; L218-F250 HydrophobicContact CG-CE2 4.44Å; L218-F250 PolarHBondContact N-O 2.95Å; L218-F250 PolarHBondContact O-N 2.71Å; L220-F250 HydrophobicContact CB-CE1 4.06Å; C236-F250 HydrophobicContact CB-CB 4.31Å; C236-F250 VanDerWaalsContact O-CA 3.25Å; C236-F250 WeakPolarHBondContact O-CA 3.26Å; C236-F250 WeakPolarHBondContact O-CB 3.26Å; V237-F250 HydrophobicContact CG2-CB 4.36Å; L248-F250 HydrophobicContact CB-CD1 4.19Å; L248-F250 HydrophobicContact CB-CE1 4.16Å; F250-P252 HydrophobicContact CD2-CB 3.94Å; F250-P252 HydrophobicContact CE2-CB 3.95Å; F250-F257 HydrophobicContact CE2-CZ 4.45Å; F250-L259 HydrophobicContact CD1-CD1 4.14Å; F250-L259 HydrophobicContact CD2-CD1 3.91Å; F250-L259 HydrophobicContact CE1-CD1 4.05Å; F250-L259 HydrophobicContact CE1-CD2 4.06Å; F250-L259 HydrophobicContact CE2-CD1 3.79Å; F250-L259 HydrophobicContact CE2-CD2 4.43Å; F250-L259 HydrophobicContact CG-CD1 4.09Å; F250-L259 HydrophobicContact CZ-CD1 3.87Å; F250-L259 HydrophobicContact CZ-CD2 3.81Å
251I96.6Very high95.4Very high24 Ų2444.4 Ų44.412%0.12322%0.224CC..  trans-96.4111.2161.7-66.6167.3000106V165 W167 R168 M215 D217 C236V165-I251 HydrophobicContact CG1-CB 4Å; V165-I251 HydrophobicContact CG1-CD1 4.48Å; V165-I251 HydrophobicContact CG1-CG2 3.74Å; V165-I251 HydrophobicContact CG2-CD1 3.87Å; W167-I251 PolarHBondContact NE1-O 2.94Å; R168-I251 HydrophobicContact CB-CG2 4.34Å; R168-I251 HydrophobicContact CG-CG2 4.46Å; M215-I251 HydrophobicContact CE-CG2 4.13Å; D217-I251 HydrophobicContact CB-CG1 4.33Å; C236-I251 WeakPolarHBondContact CB-O 3.41Å
252P96Very high95.4Very high0 Ų040.9 Ų40.90%021%0.211CC..PPolyproline II helixtrans-71145.1-17128-35.9000112.8R168 V210 P216 L218 F250 F257R168-P252 WeakPolarHBondContact CD-O 3.44Å; R168-P252 PolarHBondContact NH1-O 3.45Å; V210-P252 HydrophobicContact CB-CB 4.19Å; V210-P252 HydrophobicContact CB-CG 4.4Å; V210-P252 HydrophobicContact CG1-CB 3.96Å; V210-P252 HydrophobicContact CG1-CG 3.63Å; V210-P252 HydrophobicContact CG2-CB 3.95Å; V210-P252 HydrophobicContact CG2-CG 4.38Å; P216-P252 HydrophobicContact CG-CG 4.23Å; P216-P252 WeakPolarHBondContact O-CD 3.15Å; L218-P252 HydrophobicContact CD1-CB 4.37Å; L218-P252 HydrophobicContact CD1-CG 3.73Å; L218-P252 HydrophobicContact CG-CG 4.14Å; F250-P252 HydrophobicContact CD2-CB 3.94Å; F250-P252 HydrophobicContact CE2-CB 3.95Å; P252-F257 HydrophobicContact CB-CE1 3.9Å; P252-F257 HydrophobicContact CB-CZ 3.74Å
253P94Very high95.3Very high6 Ų642.9 Ų42.94%0.03922%0.221CC..PPolyproline II helixtrans-50.2153.9157.4-21.230.4000111.6W167 H234 F257W167-P253 HydrophobicContact CB-CG 4.07Å; W167-P253 HydrophobicContact CG-CG 4.17Å; W167-P253 WeakPolarHBondContact O-CA 3.4Å; H234-P253 VanDerWaalsContact CE1-CG 3.42Å; H234-P253 WeakPolarHBondContact CE1-CG 3.13Å; P253-F257 HydrophobicContact CB-CB 4.32Å; P253-F257 HydrophobicContact CB-CD1 3.9Å; P253-F257 HydrophobicContact CB-CE1 4.38Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.25Å; P253-F257 HydrophobicContact CG-CD1 4.02Å; P253-F257 HydrophobicContact CG-CD2 3.82Å; P253-F257 HydrophobicContact CG-CE1 4.34Å; P253-F257 HydrophobicContact CG-CE2 4.17Å; P253-F257 HydrophobicContact CG-CG 3.76Å; P253-F257 HydrophobicContact CG-CZ 4.43Å
254D91.5Very high95.2Very high16 Ų1637.4 Ų37.49%0.08620%0.195CC..SBendtrans-79.7137173-168.455000110.6N128 R169 V172 Y174N128-D254 PolarHBondContact ND2-N 2.95Å; N128-D254 VanDerWaalsContact ND2-N 3.17Å; N128-D254 PolarHBondContact ND2-O 2.99Å; R169-D254 IonicContact NH2-OD2 3.5Å; R169-D254 PolarHBondContact NH2-OD2 3.27Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.16Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.29Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.49Å; Y174-D254 VanDerWaalsContact OH-CG 3.3Å; Y174-D254 PolarHBondContact OH-OD1 3.29Å; Y174-D254 PolarHBondContact OH-OD2 2.93Å; Y174-D254 VanDerWaalsContact OH-OD2 3.06Å
255G92.1Very high94.6Very high18 Ų1835.5 Ų35.519%0.18618%0.177CC..EExtended strand (participates in β ladder)trans83.4-143.5179.600000114.4C209 V210C209-G255 WeakPolarHBondContact CA-O 3.26Å; V210-G255 PolarHBondContact N-O 3.12Å; V210-G255 PolarHBondContact O-N 3.46Å
256N92.1Very high93.5Very high137 Ų13733.5 Ų33.573%0.73317%0.173SC*.EExtended strand (participates in β ladder)trans-89.4130.9-175.7-60.1-42.9000110.7A208 C209A208-N256 CarbonylContact O-C 3.56Å; A208-N256 VanDerWaalsContact O-CA 3.28Å; A208-N256 WeakPolarHBondContact O-CA 3.36Å; C209-N256 VanDerWaalsContact CB-OD1 3.3Å; C209-N256 WeakPolarHBondContact CB-OD1 3.38Å; C209-N256 PolarHBondContact SG-OD1 3.32Å
257F93.5Very high92.3Very high23 Ų2337.2 Ų37.210%0.10120%0.195CC..EExtended strand (participates in β ladder)trans-156.5158.6172.968.8-78.6000111A208 V210 H234 F250 P252 P253 L259A208-F257 HydrophobicContact CB-CD1 4.19Å; A208-F257 HydrophobicContact CB-CE1 3.67Å; A208-F257 HydrophobicContact CB-CE2 4.25Å; A208-F257 HydrophobicContact CB-CZ 3.68Å; A208-F257 PolarHBondContact N-O 2.94Å; A208-F257 PolarHBondContact O-N 3.18Å; V210-F257 HydrophobicContact CB-CE1 4.2Å; V210-F257 HydrophobicContact CG2-CE1 3.7Å; V210-F257 HydrophobicContact CG2-CZ 4.27Å; H234-F257 AromaticContact CD2-CD2 3.93Å; F250-F257 HydrophobicContact CE2-CZ 4.45Å; P252-F257 HydrophobicContact CB-CE1 3.9Å; P252-F257 HydrophobicContact CB-CZ 3.74Å; P253-F257 HydrophobicContact CB-CB 4.32Å; P253-F257 HydrophobicContact CB-CD1 3.9Å; P253-F257 HydrophobicContact CB-CE1 4.38Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.25Å; P253-F257 HydrophobicContact CG-CD1 4.02Å; P253-F257 HydrophobicContact CG-CD2 3.82Å; P253-F257 HydrophobicContact CG-CE1 4.34Å; P253-F257 HydrophobicContact CG-CE2 4.17Å; P253-F257 HydrophobicContact CG-CG 3.76Å; P253-F257 HydrophobicContact CG-CZ 4.43Å; F257-L259 HydrophobicContact CE2-CB 3.95Å; F257-L259 HydrophobicContact CE2-CD1 3.93Å; F257-L259 HydrophobicContact CZ-CD1 4.48Å
258R95.5Very high91.2Very high126 Ų12639.1 Ų39.148%0.47521%0.206SC..EExtended strand (participates in β ladder)trans-82.9116.6169.7179.6156.5-67.11691.3109.3D207 H234D207-R258 WeakPolarHBondContact OD1-CA 3.37Å; D207-R258 WeakPolarHBondContact OD1-CB 3.08Å; D207-R258 WeakPolarHBondContact OD1-CG 3.36Å; D207-R258 IonicContact OD1-CZ 3.95Å; D207-R258 IonicContact OD1-NE 2.76Å; D207-R258 PolarHBondContact OD1-NE 3.28Å; D207-R258 IonicContact OD1-NH2 3.99Å; D207-R258 PolarHBondContact OD1-NH2 3.47Å; D207-R258 IonicContact OD2-CZ 2.75Å; D207-R258 IonicContact OD2-NE 3.38Å; D207-R258 IonicContact OD2-NH2 3.8Å; D207-R258 PolarHBondContact OD2-NH2 2.98Å; D207-R258 VanDerWaalsContact OD2-NH2 3.08Å; H234-R258 WeakPolarHBondContact CB-O 3.42Å; H234-R258 PolarHBondContact CD2-O 3.43Å
259L97.5Very high90.3Very high0 Ų047.9 Ų47.90%025%0.251CS..EExtended strand (participates in β ladder)trans-74.2-44.9178.1176.264.3000111.4F181 I206 L220 H234 V237 L248 F250 F257F181-L259 HydrophobicContact CD1-CD2 4.15Å; F181-L259 HydrophobicContact CE1-CD2 3.96Å; I206-L259 HydrophobicContact CG2-CB 4.47Å; I206-L259 HydrophobicContact CG2-CD2 4.34Å; I206-L259 WeakPolarHBondContact O-CB 3.33Å; I206-L259 PolarHBondContact O-N 3.33Å; L220-L259 HydrophobicContact CD2-CD2 3.9Å; H234-L259 WeakPolarHBondContact CB-O 3.2Å; H234-L259 PolarHBondContact N-O 3.1Å; V237-L259 HydrophobicContact CG2-CD1 3.77Å; L248-L259 HydrophobicContact CD1-CD2 4.21Å; F250-L259 HydrophobicContact CD1-CD1 4.14Å; F250-L259 HydrophobicContact CD2-CD1 3.91Å; F250-L259 HydrophobicContact CE1-CD1 4.05Å; F250-L259 HydrophobicContact CE1-CD2 4.06Å; F250-L259 HydrophobicContact CE2-CD1 3.79Å; F250-L259 HydrophobicContact CE2-CD2 4.43Å; F250-L259 HydrophobicContact CG-CD1 4.09Å; F250-L259 HydrophobicContact CZ-CD1 3.87Å; F250-L259 HydrophobicContact CZ-CD2 3.81Å; F257-L259 HydrophobicContact CE2-CB 3.95Å; F257-L259 HydrophobicContact CE2-CD1 3.93Å; F257-L259 HydrophobicContact CZ-CD1 4.48Å
260L97.6Very high89.7Confident1 Ų148.7 Ų48.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-158.8161.3176.462.982.9000111.5V205 I206 V231 S232 F233 L248 Y262V205-L260 WeakPolarHBondContact CA-O 3.47Å; I206-L260 HydrophobicContact CB-CD1 4.17Å; I206-L260 HydrophobicContact CB-CG 4.09Å; I206-L260 HydrophobicContact CD1-CD1 3.78Å; I206-L260 HydrophobicContact CD1-CD2 4.08Å; I206-L260 HydrophobicContact CD1-CG 4Å; I206-L260 HydrophobicContact CG1-CD1 3.68Å; I206-L260 HydrophobicContact CG1-CG 4.06Å; I206-L260 PolarHBondContact N-O 2.81Å; I206-L260 PolarHBondContact O-N 3.27Å; V231-L260 HydrophobicContact CG1-CB 4.06Å; V231-L260 HydrophobicContact CG1-CD1 4.25Å; V231-L260 HydrophobicContact CG1-CD2 4.4Å; V231-L260 HydrophobicContact CG1-CG 4.48Å; S232-L260 CarbonylContact O-C 3.55Å; S232-L260 WeakPolarHBondContact O-CA 2.98Å; S232-L260 WeakPolarHBondContact O-CB 3.49Å; F233-L260 HydrophobicContact CD1-CB 3.91Å; F233-L260 HydrophobicContact CD1-CD2 4.19Å; F233-L260 HydrophobicContact CE1-CB 4.34Å; F233-L260 HydrophobicContact CE1-CD2 3.97Å; L248-L260 HydrophobicContact CD1-CD2 3.47Å; L248-L260 VanDerWaalsContact CD1-CD2 3.47Å; L248-L260 HydrophobicContact CD2-CD2 4.16Å; L248-L260 HydrophobicContact CG-CD2 4.46Å; L260-Y262 HydrophobicContact CD1-CD1 3.55Å; L260-Y262 HydrophobicContact CD1-CE1 4.29Å; L260-Y262 HydrophobicContact CD1-CG 4.45Å
261S97.6Very high89.2Confident40 Ų4049.9 Ų49.928%0.2827%0.266SS..EExtended strand (participates in β ladder)trans-124.3144.7163.1560000109.2G204 V231 S232G204-S261 CarbonylContact O-C 3.52Å; G204-S261 VanDerWaalsContact O-CA 3.27Å; G204-S261 WeakPolarHBondContact O-CA 3.39Å; V231-S261 CarbonylContact C-O 3.6Å; V231-S261 WeakPolarHBondContact CA-O 3.44Å; V231-S261 WeakPolarHBondContact CG1-O 3.45Å; S232-S261 PolarHBondContact N-O 2.78Å; S232-S261 PolarHBondContact O-N 2.92Å
262Y96Very high89.1Confident8 Ų848.9 Ų48.93%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-137.1157.4-179.162.8-84.8000111.5V183 E185 G204 I206 L228 D230 L260 V264 L387V183-Y262 WeakPolarHBondContact CG1-OH 3.32Å; E185-Y262 VanDerWaalsContact CD-OH 3.31Å; E185-Y262 VanDerWaalsContact CG-OH 3.24Å; E185-Y262 WeakPolarHBondContact CG-OH 3.29Å; E185-Y262 WeakPolarHBondContact OE1-CE2 3.22Å; E185-Y262 PolarHBondContact OE1-OH 3.01Å; G204-Y262 PolarHBondContact N-O 3.08Å; G204-Y262 WeakPolarHBondContact O-CD1 3.36Å; G204-Y262 PolarHBondContact O-N 2.94Å; I206-Y262 HydrophobicContact CG1-CE1 4.27Å; L228-Y262 VanDerWaalsContact CD2-CB 3.48Å; L228-Y262 HydrophobicContact CD2-CD1 3.7Å; L228-Y262 HydrophobicContact CD2-CD2 3.7Å; L228-Y262 HydrophobicContact CD2-CE1 4.3Å; L228-Y262 HydrophobicContact CD2-CE2 4.32Å; L228-Y262 HydrophobicContact CD2-CG 3.34Å; D230-Y262 CarbonylContact O-C 3.51Å; D230-Y262 VanDerWaalsContact O-CA 3.23Å; D230-Y262 WeakPolarHBondContact O-CA 3.39Å; L260-Y262 HydrophobicContact CD1-CD1 3.55Å; L260-Y262 HydrophobicContact CD1-CE1 4.29Å; L260-Y262 HydrophobicContact CD1-CG 4.45Å; Y262-V264 HydrophobicContact CD2-CG2 4.04Å; Y262-V264 HydrophobicContact CE2-CG2 4.13Å; Y262-L387 HydrophobicContact CE1-CD2 3.71Å; Y262-L387 HydrophobicContact CE2-CD2 4.19Å; Y262-L387 WeakPolarHBondContact OH-CD2 3.38Å
263H94.4Very high89Confident52 Ų5248.9 Ų48.924%0.24126%0.261CS..EExtended strand (participates in β ladder)trans-125.6130177.1176.670.1000110.5E201 I202 D230E201-H263 IonicContact OE2-CE1 2.79Å; E201-H263 PolarHBondContact OE2-CE1 2.84Å; E201-H263 IonicContact OE2-NE2 3.96Å; I202-H263 WeakPolarHBondContact O-CA 3.5Å; D230-H263 HydrophobicContact CB-CB 4.24Å; D230-H263 PolarHBondContact O-N 3.18Å; D230-H263 IonicContact OD2-CD2 3.21Å
264V91.4Very high89Confident5 Ų548.8 Ų48.83%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-106.6107.6171.5-172.80000108E201 I202 Y262 N268E201-V264 WeakPolarHBondContact CA-O 3.19Å; I202-V264 HydrophobicContact CB-CB 4.08Å; I202-V264 HydrophobicContact CB-CG2 4.36Å; I202-V264 PolarHBondContact N-O 2.87Å; I202-V264 PolarHBondContact O-N 2.87Å; Y262-V264 HydrophobicContact CD2-CG2 4.04Å; Y262-V264 HydrophobicContact CE2-CG2 4.13Å; V264-N268 HydrophobicContact CG1-CB 3.9Å
265S83Confident89.1Confident44 Ų4451 Ų5131%0.30827%0.268SS..  trans-65.2155.1-176.6-178.70000113.6Q267 N268S265-Q267 PolarHBondContact O-N 3.31Å; S265-N268 WeakPolarHBondContact O-CB 3.34Å; S265-N268 PolarHBondContact O-N 2.93Å
266C73.6Confident89.2Confident59 Ų5951 Ų5140%0.39927%0.265SS..THydrogen-bonded Turntrans-54-18.7172.2-69.20000115.4A200 N268A200-C266 VanDerWaalsContact C-SG 3.6Å; A200-C266 PolarHBondContact N-SG 3.24Å; A200-C266 VanDerWaalsContact O-CA 3.25Å; A200-C266 WeakPolarHBondContact O-CA 3.39Å; A200-C266 PolarHBondContact O-SG 3.4Å; A200-C266 VanDerWaalsContact O-SG 3.36Å; C266-N268 PolarHBondContact O-N 3.14Å
267Q68.9Low89.4Confident180 Ų18051 Ų5184%0.84126%0.258SS*.THydrogen-bonded Turntrans-69-23.1175.1-64.1179.2-0.200112.2S265S265-Q267 PolarHBondContact O-N 3.31Å
268N72.4Confident89.5Confident83 Ų8351.9 Ų51.944%0.44426%0.262SS..SBendtrans-83.1142.2173-66.2-51.1000109.9V264 S265 C266 V270V264-N268 HydrophobicContact CG1-CB 3.9Å; S265-N268 WeakPolarHBondContact O-CB 3.34Å; S265-N268 PolarHBondContact O-N 2.93Å; C266-N268 PolarHBondContact O-N 3.14Å; N268-V270 VanDerWaalsContact C-N 3.35Å; N268-V270 PolarHBondContact O-N 3.07Å
269L76.4Confident89.5Confident183 Ų18349.1 Ų49.196%0.95826%0.257SS*.  trans-6991.5175-70.7171.4000110
270V85.7Confident89.3Confident18 Ų1849.3 Ų49.311%0.10926%0.258CS..  trans-74.5124.4174.2177.50000109.7I187 A200 I202 N268 I272I187-V270 HydrophobicContact CD1-CG1 3.73Å; I187-V270 HydrophobicContact CG1-CG1 4.4Å; A200-V270 HydrophobicContact CB-CB 3.75Å; A200-V270 HydrophobicContact CB-CG1 4.02Å; A200-V270 HydrophobicContact CB-CG2 4.27Å; A200-V270 WeakPolarHBondContact O-CG2 3.48Å; I202-V270 HydrophobicContact CD1-CG1 3.78Å; I202-V270 HydrophobicContact CD1-CG2 4.19Å; I202-V270 HydrophobicContact CG1-CG1 3.97Å; I202-V270 HydrophobicContact CG1-CG2 4.36Å; N268-V270 VanDerWaalsContact C-N 3.35Å; N268-V270 PolarHBondContact O-N 3.07Å; V270-I272 PolarHBondContact O-N 2.92Å
271A88.5Confident89.1Confident24 Ų2451.9 Ų51.920%0.19827%0.274CS..  trans-72115.817800000110.5P273 Q299A271-P273 WeakPolarHBondContact O-CD 3.4Å; A271-Q299 HydrophobicContact CB-CB 3.9Å
272I93.9Very high88.7Confident4 Ų450.5 Ų50.52%0.02126%0.263CS..  trans-80.9119.2-179-59.5-54.9000109.7I187 A189 I191 T197 A200 V270 V274 K298 Q299 F414I187-I272 HydrophobicContact CD1-CD1 4.25Å; A189-I272 HydrophobicContact CB-CD1 4.23Å; I191-I272 HydrophobicContact CD1-CD1 4.1Å; I191-I272 HydrophobicContact CD1-CG1 4.1Å; I191-I272 HydrophobicContact CD1-CG2 4.12Å; T197-I272 HydrophobicContact CG2-CD1 3.98Å; T197-I272 HydrophobicContact CG2-CG1 4.21Å; T197-I272 VanDerWaalsContact OG1-CG1 3.29Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.49Å; A200-I272 HydrophobicContact CB-CD1 3.76Å; V270-I272 PolarHBondContact O-N 2.92Å; I272-V274 VanDerWaalsContact CG2-O 3.27Å; I272-V274 WeakPolarHBondContact CG2-O 3.45Å; I272-K298 HydrophobicContact CB-CD 4.45Å; I272-K298 WeakPolarHBondContact O-CB 3.43Å; I272-Q299 WeakPolarHBondContact O-CB 3.2Å; I272-Q299 PolarHBondContact O-N 3.3Å; I272-F414 HydrophobicContact CG2-CE2 4.25Å; I272-F414 HydrophobicContact CG2-CZ 3.83Å
273P93.9Very high88Confident0 Ų057.9 Ų57.90%029%0.29CS..  trans-81.5-21.7-170.130.7-35.2000113.7A271 K298 T300 L305 F377 I379 L384A271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-K298 PolarHBondContact O-N 3.45Å; P273-T300 HydrophobicContact CB-CG2 4.12Å; P273-T300 WeakPolarHBondContact O-CG2 3.47Å; P273-L305 HydrophobicContact CB-CD2 4.49Å; P273-F377 HydrophobicContact CB-CE2 4.45Å; P273-F377 HydrophobicContact CG-CE1 4.16Å; P273-F377 HydrophobicContact CG-CE2 3.64Å; P273-F377 HydrophobicContact CG-CZ 3.34Å; P273-I379 HydrophobicContact CB-CD1 3.53Å; P273-I379 HydrophobicContact CG-CD1 4.19Å; P273-L384 HydrophobicContact CB-CD1 4.02Å; P273-L384 HydrophobicContact CB-CD2 4.39Å; P273-L384 HydrophobicContact CG-CD1 3.69Å
274V94.3Very high87Confident4 Ų463.4 Ų63.42%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-124136.3-175.6-1730000109.5I272 V276 L295 G296 L305 I375 F377I272-V274 VanDerWaalsContact CG2-O 3.27Å; I272-V274 WeakPolarHBondContact CG2-O 3.45Å; V274-V276 HydrophobicContact CG1-CG2 4.39Å; V274-L295 HydrophobicContact CG1-CD2 4.19Å; V274-G296 WeakPolarHBondContact CA-O 3.46Å; V274-L305 HydrophobicContact CG2-CD1 3.75Å; V274-L305 HydrophobicContact CG2-CD2 3.73Å; V274-L305 HydrophobicContact CG2-CG 4.41Å; V274-I375 HydrophobicContact CG1-CD1 4.32Å; V274-F377 HydrophobicContact CG2-CD1 3.88Å; V274-F377 HydrophobicContact CG2-CE1 3.96Å; V274-F377 HydrophobicContact CG2-CG 4.35Å
275Y92.8Very high85.9Confident62 Ų6267.1 Ų67.124%0.24336%0.355CS..EExtended strand (participates in β ladder)trans-110.1152.7163.177.9-89.2000110.2K277 G296 P297 K298 L351Y275-K277 HydrophobicContact CD2-CG 4.17Å; Y275-K277 HydrophobicContact CE2-CD 4.14Å; Y275-K277 HydrophobicContact CE2-CG 4.01Å; Y275-G296 VanDerWaalsContact CD1-O 3.25Å; Y275-G296 WeakPolarHBondContact CD1-O 3.32Å; Y275-G296 VanDerWaalsContact CE1-CA 3.44Å; Y275-G296 PolarHBondContact N-O 3.36Å; Y275-G296 PolarHBondContact O-N 2.99Å; Y275-G296 VanDerWaalsContact O-N 3.08Å; Y275-P297 WeakPolarHBondContact CD1-O 3.43Å; Y275-P297 WeakPolarHBondContact CE1-O 3.4Å; Y275-K298 HydrophobicContact CD1-CB 4.12Å; Y275-L351 WeakPolarHBondContact OH-CD1 3.3Å
276V95.3Very high85.5Confident19 Ų1967.1 Ų67.112%0.11536%0.355CS..EExtended strand (participates in β ladder)trans-128.9125.9-178.1-176.30000108.7V274 L293 L295 I373 I375 V416V274-V276 HydrophobicContact CG1-CG2 4.39Å; V276-L293 HydrophobicContact CG1-CD1 3.23Å; V276-L293 HydrophobicContact CG1-CG 4.36Å; V276-L295 HydrophobicContact CB-CD2 4.2Å; V276-L295 HydrophobicContact CG1-CD2 4.1Å; V276-L295 HydrophobicContact CG2-CD2 3.42Å; V276-L295 VanDerWaalsContact CG2-CD2 3.42Å; V276-I373 HydrophobicContact CG1-CD1 4.37Å; V276-I375 HydrophobicContact CG2-CD1 3.46Å; V276-I375 VanDerWaalsContact CG2-CD1 3.46Å; V276-V416 HydrophobicContact CB-CG1 4.21Å; V276-V416 HydrophobicContact CB-CG2 4.26Å; V276-V416 HydrophobicContact CG1-CG1 4.47Å; V276-V416 HydrophobicContact CG2-CG2 3.77Å
277K95.4Very high86Confident137 Ų13767 Ų6760%0.59636%0.355SS*.EExtended strand (participates in β ladder)trans-105.3123.9166.6-69.9-178.8178.5-179.50107.8Y275 L293 T294Y275-K277 HydrophobicContact CD2-CG 4.17Å; Y275-K277 HydrophobicContact CE2-CD 4.14Å; Y275-K277 HydrophobicContact CE2-CG 4.01Å; K277-L293 CarbonylContact O-C 3.53Å; K277-L293 WeakPolarHBondContact O-CA 3.38Å; K277-T294 PolarHBondContact N-O 3.05Å; K277-T294 PolarHBondContact O-N 3.46Å
278H95.4Very high87Confident41 Ų4164.2 Ų64.219%0.1934%0.342CS..EExtended strand (participates in β ladder)trans-130152.6-179.462.784.9000111K193 E292 L293 I373 T418K193-H278 PolarHBondContact O-NE2 3.5Å; H278-E292 CarbonylContact C-O 3.6Å; H278-E292 VanDerWaalsContact CA-O 3.25Å; H278-E292 WeakPolarHBondContact CA-O 3.11Å; H278-L293 HydrophobicContact CB-CD1 3.86Å; H278-I373 HydrophobicContact CB-CD1 4.41Å; H278-T418 HydrophobicContact CB-CG2 4.25Å; H278-T418 WeakPolarHBondContact CE1-CA 3.33Å; H278-T418 PolarHBondContact CE1-OXT 3.36Å; H278-T418 WeakPolarHBondContact ND1-CB 3.4Å; H278-T418 PolarHBondContact ND1-OXT 3.1Å
279N95.2Very high87.9Confident67 Ų6760.5 Ų60.536%0.35832%0.324SS..EExtended strand (participates in β ladder)trans-147.190.3169.4175.825.4000107.4E292N279-E292 HydrophobicContact CB-CB 4.17Å; N279-E292 PolarHBondContact N-O 2.72Å; N279-E292 PolarHBondContact ND2-OE2 3.37Å; N279-E292 VanDerWaalsContact ND2-OE2 3.1Å; N279-E292 PolarHBondContact O-N 2.75Å; N279-E292 VanDerWaalsContact O-N 3.08Å
280I94.6Very high88.8Confident4 Ų457.4 Ų57.42%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-110.1120.4-179-55176.2000107.2F282 R290 F291 M358 N370 P371 I373 T418I280-F282 HydrophobicContact CG2-CE2 3.83Å; I280-F282 HydrophobicContact CG2-CZ 4.08Å; I280-R290 WeakPolarHBondContact CA-O 3.31Å; I280-F291 HydrophobicContact CD1-CD2 3.89Å; I280-F291 HydrophobicContact CD1-CE2 3.57Å; I280-F291 HydrophobicContact CD1-CZ 4.31Å; I280-F291 HydrophobicContact CG1-CD2 3.94Å; I280-F291 HydrophobicContact CG1-CE2 4.1Å; I280-F291 HydrophobicContact CG2-CD2 4.31Å; I280-M358 HydrophobicContact CG2-CE 4.05Å; I280-N370 PolarHBondContact O-ND2 2.87Å; I280-N370 VanDerWaalsContact O-ND2 3.08Å; I280-P371 HydrophobicContact CD1-CG 4.24Å; I280-P371 HydrophobicContact CG2-CG 4.37Å; I280-I373 HydrophobicContact CD1-CD1 4.4Å; I280-T418 HydrophobicContact CD1-CG2 4.2Å
281T92.3Very high89.3Confident55 Ų5556.7 Ų56.734%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-137.6140.2-176.653.30000111.2G289 R290T281-G289 CarbonylContact O-C 3.52Å; T281-G289 VanDerWaalsContact O-CA 3.23Å; T281-G289 WeakPolarHBondContact O-CA 3.38Å; T281-R290 PolarHBondContact N-O 2.63Å; T281-R290 PolarHBondContact O-N 3.35Å; T281-R290 WeakPolarHBondContact OG1-CB 3.31Å
282F89.6Confident89.7Confident12 Ų1257.3 Ų57.35%0.05329%0.293CS..EExtended strand (participates in β ladder)trans-117.5123.3174.3-58.2-87.1000107.5I280 P315 V318 M358 L360 K366 P367I280-F282 HydrophobicContact CG2-CE2 3.83Å; I280-F282 HydrophobicContact CG2-CZ 4.08Å; F282-P315 HydrophobicContact CE1-CG 4.08Å; F282-P315 HydrophobicContact CE2-CG 4.28Å; F282-P315 HydrophobicContact CZ-CG 3.67Å; F282-V318 HydrophobicContact CE1-CG2 4Å; F282-M358 HydrophobicContact CD1-CE 4.13Å; F282-M358 HydrophobicContact CE1-CE 3.44Å; F282-M358 VanDerWaalsContact CE1-CE 3.44Å; F282-M358 HydrophobicContact CE1-SD 4.35Å; F282-M358 HydrophobicContact CZ-CE 3.66Å; F282-L360 HydrophobicContact CB-CD1 4.49Å; F282-L360 HydrophobicContact CD1-CD1 4.01Å; F282-L360 HydrophobicContact CD1-CD2 3.8Å; F282-L360 HydrophobicContact CD1-CG 4.49Å; F282-L360 HydrophobicContact CE1-CD2 4.07Å; F282-K366 HydrophobicContact CB-CG 4.23Å; F282-P367 HydrophobicContact CB-CG 4.49Å; F282-P367 HydrophobicContact CD1-CG 4.08Å; F282-P367 HydrophobicContact CD2-CG 3.86Å; F282-P367 HydrophobicContact CE1-CG 4.27Å; F282-P367 HydrophobicContact CE2-CG 4.06Å; F282-P367 HydrophobicContact CG-CG 3.88Å; F282-P367 HydrophobicContact CZ-CG 4.26Å
283R81.7Confident89.9Confident163 Ų16357.1 Ų57.162%0.61529%0.293SS*.  trans-93.6121.6-176.3-73.9-177.1-177-169.5-1.2110.2S286 Q288R283-S286 WeakPolarHBondContact CB-OG 3.36Å; R283-S286 PolarHBondContact O-N 3.3Å; R283-S286 PolarHBondContact O-OG 3.02Å; R283-Q288 PolarHBondContact N-O 2.81Å
284E72.3Confident90Very high168 Ų16858.5 Ų58.579%0.78530%0.301SS*.THydrogen-bonded Turntrans-61.9138.7178.9-166.5170.2-164.500111.6S286E284-S286 PolarHBondContact O-N 2.82Å; E284-S286 VanDerWaalsContact O-N 3.13Å
285G69.4Low90Very high82 Ų8258.3 Ų58.385%0.84530%0.3SS*.THydrogen-bonded Turntrans69.83.3-17900000115.2
286S74.9Confident90.1Very high44 Ų4455.3 Ų55.331%0.30829%0.288SS..SBendtrans-120.4145.6177.783.80000111.6R283 E284 Q288R283-S286 WeakPolarHBondContact CB-OG 3.36Å; R283-S286 PolarHBondContact O-N 3.3Å; R283-S286 PolarHBondContact O-OG 3.02Å; E284-S286 PolarHBondContact O-N 2.82Å; E284-S286 VanDerWaalsContact O-N 3.13Å; S286-Q288 PolarHBondContact O-N 2.85Å; S286-Q288 VanDerWaalsContact O-N 3.07Å; S286-Q288 PolarHBondContact OG-N 3.42Å; S286-Q288 PolarHBondContact OG-O 3.4Å
287S84Confident90Very high56 Ų5656.2 Ų56.239%0.39229%0.294SS..SBendtrans-78.824.7174.1-51.40000113.1L360S287-L360 WeakPolarHBondContact CB-O 3.36Å; S287-L360 PolarHBondContact O-N 3.26Å
288Q88.5Confident89.8Confident122 Ų12254.6 Ų54.657%0.5729%0.287SS*.EExtended strand (participates in β ladder)trans-132.5138.2-173.8-65.5-168-16.400113.3R283 S286 M358R283-Q288 PolarHBondContact N-O 2.81Å; S286-Q288 PolarHBondContact O-N 2.85Å; S286-Q288 VanDerWaalsContact O-N 3.07Å; S286-Q288 PolarHBondContact OG-N 3.42Å; S286-Q288 PolarHBondContact OG-O 3.4Å; Q288-M358 CarbonylContact C-O 3.56Å; Q288-M358 WeakPolarHBondContact CA-O 3.48Å
289G91.6Very high89.6Confident6 Ų657 Ų576%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-125.5167168.900000111.6T281 S357 M358T281-G289 CarbonylContact O-C 3.52Å; T281-G289 VanDerWaalsContact O-CA 3.23Å; T281-G289 WeakPolarHBondContact O-CA 3.38Å; G289-S357 CarbonylContact O-C 3.54Å; G289-S357 VanDerWaalsContact O-CA 3.3Å; G289-S357 WeakPolarHBondContact O-CA 3.45Å; G289-M358 PolarHBondContact N-O 2.81Å; G289-M358 PolarHBondContact O-N 2.86Å
290R94.6Very high89.2Confident118 Ų11854.4 Ų54.445%0.44529%0.285SS..EExtended strand (participates in β ladder)trans-120.3135.2174.4-172.9179.6-174.6159.9-3.2109.2I280 T281 E292I280-R290 WeakPolarHBondContact CA-O 3.31Å; T281-R290 PolarHBondContact N-O 2.63Å; T281-R290 PolarHBondContact O-N 3.35Å; T281-R290 WeakPolarHBondContact OG1-CB 3.31Å; R290-E292 HydrophobicContact CG-CG 4.09Å; R290-E292 IonicContact CZ-OE1 2.63Å; R290-E292 IonicContact CZ-OE2 2.66Å; R290-E292 IonicContact NE-OE1 3.5Å; R290-E292 PolarHBondContact NE-OE1 2.94Å; R290-E292 IonicContact NE-OE2 2.79Å; R290-E292 PolarHBondContact NE-OE2 3.12Å; R290-E292 IonicContact NH2-OE1 3.43Å; R290-E292 PolarHBondContact NH2-OE1 3.37Å; R290-E292 IonicContact NH2-OE2 3.93Å
291F96.4Very high88.7Confident2 Ų261.8 Ų61.81%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-125.1118.3175.3-173.6-81.1000108.6I280 L293 L314 L323 L339 L354 K355 G356 M358I280-F291 HydrophobicContact CD1-CD2 3.89Å; I280-F291 HydrophobicContact CD1-CE2 3.57Å; I280-F291 HydrophobicContact CD1-CZ 4.31Å; I280-F291 HydrophobicContact CG1-CD2 3.94Å; I280-F291 HydrophobicContact CG1-CE2 4.1Å; I280-F291 HydrophobicContact CG2-CD2 4.31Å; F291-L293 HydrophobicContact CE1-CB 3.82Å; F291-L293 HydrophobicContact CE1-CD2 4.39Å; F291-L293 HydrophobicContact CZ-CB 4.36Å; F291-L293 HydrophobicContact CZ-CD2 4.33Å; F291-L314 HydrophobicContact CE2-CD2 4.32Å; F291-L323 HydrophobicContact CB-CD2 3.84Å; F291-L323 HydrophobicContact CD1-CD1 4.04Å; F291-L323 HydrophobicContact CD1-CD2 4.27Å; F291-L323 HydrophobicContact CE1-CD1 4.49Å; F291-L323 HydrophobicContact CG-CD1 4.46Å; F291-L323 HydrophobicContact CG-CD2 4.36Å; F291-L339 HydrophobicContact CD1-CD2 4.47Å; F291-L339 HydrophobicContact CD2-CD2 4.33Å; F291-L339 HydrophobicContact CE1-CD2 3.95Å; F291-L339 HydrophobicContact CE2-CD2 3.78Å; F291-L339 HydrophobicContact CZ-CD2 3.58Å; F291-L354 HydrophobicContact CE1-CD2 4.03Å; F291-L354 HydrophobicContact CE1-CG 4.34Å; F291-K355 CarbonylContact O-C 3.56Å; F291-K355 VanDerWaalsContact O-CA 3.32Å; F291-K355 WeakPolarHBondContact O-CA 3.28Å; F291-G356 PolarHBondContact N-O 3.06Å; F291-G356 PolarHBondContact O-N 3.49Å; F291-M358 HydrophobicContact CB-CE 4.17Å; F291-M358 HydrophobicContact CB-CG 4.06Å; F291-M358 HydrophobicContact CB-SD 4.02Å; F291-M358 HydrophobicContact CD2-SD 4.13Å
292E97.3Very high88.3Confident37 Ų3763 Ų6317%0.17334%0.344CS..EExtended strand (participates in β ladder)trans-133.1130.1172.8-56.8-174.1141.900110H278 N279 R290 L354 K355H278-E292 CarbonylContact C-O 3.6Å; H278-E292 VanDerWaalsContact CA-O 3.25Å; H278-E292 WeakPolarHBondContact CA-O 3.11Å; N279-E292 HydrophobicContact CB-CB 4.17Å; N279-E292 PolarHBondContact N-O 2.72Å; N279-E292 PolarHBondContact ND2-OE2 3.37Å; N279-E292 VanDerWaalsContact ND2-OE2 3.1Å; N279-E292 PolarHBondContact O-N 2.75Å; N279-E292 VanDerWaalsContact O-N 3.08Å; R290-E292 HydrophobicContact CG-CG 4.09Å; R290-E292 IonicContact CZ-OE1 2.63Å; R290-E292 IonicContact CZ-OE2 2.66Å; R290-E292 IonicContact NE-OE1 3.5Å; R290-E292 PolarHBondContact NE-OE1 2.94Å; R290-E292 IonicContact NE-OE2 2.79Å; R290-E292 PolarHBondContact NE-OE2 3.12Å; R290-E292 IonicContact NH2-OE1 3.43Å; R290-E292 PolarHBondContact NH2-OE1 3.37Å; R290-E292 IonicContact NH2-OE2 3.93Å; E292-L354 CarbonylContact C-O 3.55Å; E292-L354 WeakPolarHBondContact CA-O 3.33Å; E292-K355 HydrophobicContact CB-CG 4.14Å; E292-K355 HydrophobicContact CG-CB 4.27Å; E292-K355 HydrophobicContact CG-CG 4.14Å
293L97.6Very high88.5Confident1 Ų165.9 Ų65.91%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-137.2139.2178-168.760.2000109.5V276 K277 H278 F291 I310 W341 S353 L354 I373V276-L293 HydrophobicContact CG1-CD1 3.23Å; V276-L293 HydrophobicContact CG1-CG 4.36Å; K277-L293 CarbonylContact O-C 3.53Å; K277-L293 WeakPolarHBondContact O-CA 3.38Å; H278-L293 HydrophobicContact CB-CD1 3.86Å; F291-L293 HydrophobicContact CE1-CB 3.82Å; F291-L293 HydrophobicContact CE1-CD2 4.39Å; F291-L293 HydrophobicContact CZ-CB 4.36Å; F291-L293 HydrophobicContact CZ-CD2 4.33Å; L293-I310 HydrophobicContact CD2-CD1 3.55Å; L293-I310 HydrophobicContact CD2-CG2 4.06Å; L293-W341 HydrophobicContact CD2-CE3 4.13Å; L293-W341 HydrophobicContact CD2-CZ3 4.08Å; L293-W341 HydrophobicContact CG-CZ3 4.3Å; L293-S353 CarbonylContact O-C 3.37Å; L293-S353 WeakPolarHBondContact O-CA 3.4Å; L293-S353 VanDerWaalsContact O-CB 3.25Å; L293-S353 WeakPolarHBondContact O-CB 3.42Å; L293-L354 PolarHBondContact N-O 3.3Å; L293-L354 PolarHBondContact O-N 2.99Å; L293-I373 HydrophobicContact CD1-CD1 3.29Å; L293-I373 HydrophobicContact CD2-CD1 3.89Å; L293-I373 HydrophobicContact CD2-CG2 4.42Å; L293-I373 HydrophobicContact CG-CD1 4.22Å
294T96.8Very high89Confident28 Ų2859.8 Ų59.817%0.17235%0.345CS..EExtended strand (participates in β ladder)trans-140128.5172.4-58.50000108.3K277 L351 P352 S353K277-T294 PolarHBondContact N-O 3.05Å; K277-T294 PolarHBondContact O-N 3.46Å; T294-L351 HydrophobicContact CG2-CB 4.07Å; T294-P352 WeakPolarHBondContact CA-O 3.42Å; T294-S353 WeakPolarHBondContact OG1-CB 3.34Å
295L95.1Very high90.1Very high0 Ų052 Ų520%031%0.309CS..EExtended strand (participates in β ladder)trans-106.9151.9177.7-62.9176.5000110.6V274 V276 V308 I310 W341 V343 I346 P352 I375V274-L295 HydrophobicContact CG1-CD2 4.19Å; V276-L295 HydrophobicContact CB-CD2 4.2Å; V276-L295 HydrophobicContact CG1-CD2 4.1Å; V276-L295 HydrophobicContact CG2-CD2 3.42Å; V276-L295 VanDerWaalsContact CG2-CD2 3.42Å; L295-V308 HydrophobicContact CD1-CG1 3.84Å; L295-I310 HydrophobicContact CD1-CD1 3.15Å; L295-I310 HydrophobicContact CD1-CG1 3.84Å; L295-I310 HydrophobicContact CD2-CD1 3.93Å; L295-I310 HydrophobicContact CG-CD1 3.65Å; L295-W341 HydrophobicContact CD1-CZ3 4.25Å; L295-W341 HydrophobicContact CG-CZ3 4.27Å; L295-V343 HydrophobicContact CD1-CG2 4.19Å; L295-I346 HydrophobicContact CB-CD1 4.36Å; L295-P352 HydrophobicContact CB-CG 4.17Å; L295-P352 PolarHBondContact N-O 3.03Å; L295-P352 WeakPolarHBondContact O-CD 3.19Å; L295-I375 HydrophobicContact CD2-CD1 4.25Å
296G93.1Very high91.3Very high0 Ų050.9 Ų50.90%028%0.282CS..EExtended strand (participates in β ladder)trans-156.6163.4166.200000113.6V274 Y275V274-G296 WeakPolarHBondContact CA-O 3.46Å; Y275-G296 VanDerWaalsContact CD1-O 3.25Å; Y275-G296 WeakPolarHBondContact CD1-O 3.32Å; Y275-G296 VanDerWaalsContact CE1-CA 3.44Å; Y275-G296 PolarHBondContact N-O 3.36Å; Y275-G296 PolarHBondContact O-N 2.99Å; Y275-G296 VanDerWaalsContact O-N 3.08Å
297P94.1Very high92.4Very high37 Ų3751.5 Ų51.524%0.2429%0.289CS..EExtended strand (participates in β ladder)trans-66.2139.8171.229.8-33.2000109.9Y275 T300 L305 P348Y275-P297 WeakPolarHBondContact CD1-O 3.43Å; Y275-P297 WeakPolarHBondContact CE1-O 3.4Å; P297-T300 HydrophobicContact CB-CG2 3.84Å; P297-L305 HydrophobicContact CB-CD1 4Å; P297-P348 HydrophobicContact CG-CB 4.29Å; P297-P348 HydrophobicContact CG-CG 4.36Å
298K92.1Very high93Very high103 Ų10348.8 Ų48.845%0.44827%0.271SS..SBendtrans-114.4-81.8175-168.5-171.3-175.5178.10110.4I272 P273 Y275I272-K298 HydrophobicContact CB-CD 4.45Å; I272-K298 WeakPolarHBondContact O-CB 3.43Å; P273-K298 PolarHBondContact O-N 3.45Å; Y275-K298 HydrophobicContact CD1-CB 4.12Å
299Q90.4Very high93.5Very high92 Ų9245.7 Ų45.743%0.4326%0.258SS..SBendtrans-113.569179.2-64.4170.8-57.400111.4A271 I272A271-Q299 HydrophobicContact CB-CB 3.9Å; I272-Q299 WeakPolarHBondContact O-CB 3.2Å; I272-Q299 PolarHBondContact O-N 3.3Å
300T86.2Confident93.8Very high13 Ų1345.7 Ų45.78%0.0826%0.256CS..  trans-96.45.3-178.367.60000114.3P273 P297 G302 K303 L305P273-T300 HydrophobicContact CB-CG2 4.12Å; P273-T300 WeakPolarHBondContact O-CG2 3.47Å; P297-T300 HydrophobicContact CB-CG2 3.84Å; T300-G302 PolarHBondContact O-N 3.07Å; T300-G302 VanDerWaalsContact O-N 3.13Å; T300-K303 WeakPolarHBondContact CB-O 3.43Å; T300-K303 WeakPolarHBondContact O-CB 3.14Å; T300-K303 PolarHBondContact O-N 3.37Å; T300-K303 PolarHBondContact OG1-O 3.46Å; T300-L305 HydrophobicContact CG2-CD1 3.97Å; T300-L305 HydrophobicContact CG2-CD2 4.49Å; T300-L305 HydrophobicContact CG2-CG 4.02Å
301M84Confident94Very high158 Ų15841.5 Ų41.578%0.77825%0.245SC*.THydrogen-bonded Turntrans52.734.2-176.4-56.3-58.9-73.200113.4K303M301-K303 PolarHBondContact O-N 2.94Å
302G85.5Confident94Very high80 Ų8041.4 Ų41.483%0.82525%0.245SC*.THydrogen-bonded Turntrans76.82.6-178.400000114.8T300T300-G302 PolarHBondContact O-N 3.07Å; T300-G302 VanDerWaalsContact O-N 3.13Å
303K92.8Very high93.9Very high73 Ų7344.4 Ų44.432%0.31726%0.259SS..PPolyproline II helixtrans-84.9149.2174.5-57.5-61.4-174.5175.20110.9T300 M301 I379 Q381T300-K303 WeakPolarHBondContact CB-O 3.43Å; T300-K303 WeakPolarHBondContact O-CB 3.14Å; T300-K303 PolarHBondContact O-N 3.37Å; T300-K303 PolarHBondContact OG1-O 3.46Å; M301-K303 PolarHBondContact O-N 2.94Å; K303-I379 HydrophobicContact CB-CG2 3.48Å; K303-I379 VanDerWaalsContact CB-CG2 3.48Å; K303-I379 HydrophobicContact CG-CG2 4.34Å; K303-Q381 HydrophobicContact CD-CB 4.5Å; K303-Q381 WeakPolarHBondContact CE-O 3.34Å
304G92.4Very high93.8Very high36 Ų3644.6 Ų44.637%0.37126%0.26SS..PPolyproline II helixtrans-78.9146.5179.800000112.2
305L95.1Very high93.6Very high4 Ų444.6 Ų44.62%0.02126%0.26CS..PPolyproline II helixtrans-89.5123.5169.2-74.3157.8000109.2P273 V274 P297 T300 V308 K345 I346 F377 I379P273-L305 HydrophobicContact CB-CD2 4.49Å; V274-L305 HydrophobicContact CG2-CD1 3.75Å; V274-L305 HydrophobicContact CG2-CD2 3.73Å; V274-L305 HydrophobicContact CG2-CG 4.41Å; P297-L305 HydrophobicContact CB-CD1 4Å; T300-L305 HydrophobicContact CG2-CD1 3.97Å; T300-L305 HydrophobicContact CG2-CD2 4.49Å; T300-L305 HydrophobicContact CG2-CG 4.02Å; L305-V308 HydrophobicContact CB-CG2 3.97Å; L305-K345 WeakPolarHBondContact O-CA 3.12Å; L305-I346 HydrophobicContact CB-CB 4.2Å; L305-I346 HydrophobicContact CB-CD1 4.16Å; L305-I346 HydrophobicContact CB-CG1 4.24Å; L305-I346 HydrophobicContact CD1-CD1 4.06Å; L305-I346 PolarHBondContact O-N 3.37Å; L305-F377 HydrophobicContact CD2-CB 4.08Å; L305-F377 HydrophobicContact CD2-CD2 3.78Å; L305-F377 HydrophobicContact CD2-CE2 4.44Å; L305-F377 HydrophobicContact CD2-CG 3.95Å; L305-I379 HydrophobicContact CD2-CD1 3.9Å; L305-I379 HydrophobicContact CD2-CG1 3.72Å
306E95.9Very high93.4Very high59 Ų5955.4 Ų55.428%0.27630%0.301SS..EExtended strand (participates in β ladder)trans-124.7160.4-176.3-59.3-174.2160.800110.6V308 K345 K378E306-V308 PolarHBondContact O-N 2.88Å; E306-K345 HydrophobicContact CG-CD 4.12Å; E306-K345 HydrophobicContact CG-CG 4.11Å; E306-K345 WeakPolarHBondContact OE1-CE 3.29Å; E306-K345 IonicContact OE1-NZ 3.35Å; E306-K345 PolarHBondContact OE1-NZ 2.91Å; E306-K378 PolarHBondContact N-O 3.41Å; E306-K378 PolarHBondContact O-N 2.87Å
307A96.7Very high93.2Very high56 Ų5656.3 Ų56.346%0.46331%0.31SS..EExtended strand (participates in β ladder)trans49.544.5-179.500000112.5L309 G344 K378A307-L309 PolarHBondContact O-N 3.05Å; A307-G344 PolarHBondContact N-O 2.62Å; A307-K378 HydrophobicContact CB-CD 4.37Å; A307-K378 HydrophobicContact CB-CG 4.45Å
308V97.9Very high93.1Very high0 Ų054.5 Ų54.50%030%0.299CS..EExtended strand (participates in β ladder)trans-80117.1-178.4-178.70000109.9L295 L305 E306 V343 G344 I346 I375 Q376 F377L295-V308 HydrophobicContact CD1-CG1 3.84Å; L305-V308 HydrophobicContact CB-CG2 3.97Å; E306-V308 PolarHBondContact O-N 2.88Å; V308-V343 HydrophobicContact CB-CB 4.08Å; V308-V343 HydrophobicContact CG1-CB 4.18Å; V308-V343 HydrophobicContact CG1-CG2 4.16Å; V308-V343 WeakPolarHBondContact O-CB 3.39Å; V308-V343 PolarHBondContact O-N 2.91Å; V308-G344 WeakPolarHBondContact CB-O 3.49Å; V308-G344 PolarHBondContact N-O 2.99Å; V308-G344 PolarHBondContact O-N 3.18Å; V308-I346 HydrophobicContact CB-CD1 4.42Å; V308-I346 HydrophobicContact CB-CG1 4.39Å; V308-I346 HydrophobicContact CG1-CD1 4.25Å; V308-I346 HydrophobicContact CG2-CD1 3.9Å; V308-I346 HydrophobicContact CG2-CG1 3.89Å; V308-I375 HydrophobicContact CG1-CG2 4.38Å; V308-Q376 CarbonylContact C-O 3.5Å; V308-Q376 VanDerWaalsContact CA-O 3.25Å; V308-Q376 WeakPolarHBondContact CA-O 3.46Å; V308-F377 HydrophobicContact CG2-CB 3.92Å
309L97.9Very high93.2Very high56 Ų5653.7 Ų53.729%0.29330%0.298SS..EExtended strand (participates in β ladder)trans-125.4130.9176.8178.373.2000108.8A307 D342 Q376A307-L309 PolarHBondContact O-N 3.05Å; L309-D342 HydrophobicContact CD1-CB 4.01Å; L309-Q376 HydrophobicContact CB-CB 4.26Å; L309-Q376 PolarHBondContact N-O 3.32Å; L309-Q376 PolarHBondContact O-N 3.07Å
310I98.1Very high93.3Very high6 Ų653.7 Ų53.73%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-107.2140.9172.7-67.3163.5000109.4L293 L295 S340 W341 V343 I373 N374L293-I310 HydrophobicContact CD2-CD1 3.55Å; L293-I310 HydrophobicContact CD2-CG2 4.06Å; L295-I310 HydrophobicContact CD1-CD1 3.15Å; L295-I310 HydrophobicContact CD1-CG1 3.84Å; L295-I310 HydrophobicContact CD2-CD1 3.93Å; L295-I310 HydrophobicContact CG-CD1 3.65Å; I310-S340 CarbonylContact O-C 3.5Å; I310-S340 VanDerWaalsContact O-CA 3.31Å; I310-S340 WeakPolarHBondContact O-CA 3.29Å; I310-W341 HydrophobicContact CB-CB 4.36Å; I310-W341 HydrophobicContact CD1-CD2 4.2Å; I310-W341 HydrophobicContact CD1-CE3 3.22Å; I310-W341 HydrophobicContact CD1-CZ3 3.39Å; I310-W341 HydrophobicContact CG1-CE3 4.41Å; I310-W341 PolarHBondContact N-O 2.83Å; I310-W341 PolarHBondContact O-N 3.44Å; I310-V343 HydrophobicContact CD1-CG2 4.43Å; I310-I373 HydrophobicContact CG2-CG2 3.61Å; I310-N374 WeakPolarHBondContact CA-O 3.46Å
311S97.9Very high93.8Very high30 Ų3053.3 Ų53.321%0.2130%0.299CS..EExtended strand (participates in β ladder)trans-131.8146.6164.865.30000111.9L339 N374S311-L339 CarbonylContact C-O 3.54Å; S311-L339 VanDerWaalsContact CA-O 3.24Å; S311-L339 WeakPolarHBondContact CA-O 3.17Å; S311-N374 PolarHBondContact N-O 3.02Å; S311-N374 PolarHBondContact O-N 3.06Å
312S97.3Very high94.4Very high1 Ų150.5 Ų50.51%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-145.1123.8177.5-175.70000109L314 L339 T372S312-L314 PolarHBondContact O-N 2.79Å; S312-L339 PolarHBondContact N-O 2.98Å; S312-L339 PolarHBondContact O-N 3.43Å; S312-T372 PolarHBondContact OG-O 3.14Å
313Q96.1Very high95Very high100 Ų10046.9 Ų46.947%0.46725%0.249SC..EExtended strand (participates in β ladder)trans-78.5105.8173.3-176.660.849.900108.3T336 P371Q313-T336 PolarHBondContact NE2-O 2.85Å; Q313-P371 WeakPolarHBondContact O-CB 3.33Å
314L94.9Very high95.2Very high5 Ų548.6 Ų48.63%0.02626%0.262CS..  trans-79.7155.3-177.4-61.9-173.5000111.6F291 S312 V318 T321 F332 K337 L339 M358 P371F291-L314 HydrophobicContact CE2-CD2 4.32Å; S312-L314 PolarHBondContact O-N 2.79Å; L314-V318 HydrophobicContact CB-CB 4.3Å; L314-V318 HydrophobicContact CB-CG2 4.16Å; L314-V318 HydrophobicContact CD1-CG1 4.03Å; L314-T321 HydrophobicContact CD1-CG2 3.72Å; L314-F332 HydrophobicContact CB-CE2 4.39Å; L314-F332 HydrophobicContact CD1-CD2 4.02Å; L314-F332 HydrophobicContact CD1-CE2 3.73Å; L314-F332 HydrophobicContact CG-CE2 4.35Å; L314-K337 PolarHBondContact N-O 3.25Å; L314-K337 WeakPolarHBondContact O-CB 3.21Å; L314-L339 HydrophobicContact CD1-CB 4.03Å; L314-L339 HydrophobicContact CD1-CD2 4.39Å; L314-L339 HydrophobicContact CG-CB 4.07Å; L314-M358 HydrophobicContact CD1-SD 4.04Å; L314-M358 HydrophobicContact CD2-SD 4.43Å; L314-P371 HydrophobicContact CD2-CB 4.26Å; L314-P371 HydrophobicContact CD2-CG 3.86Å
315P93Very high95.5Very high27 Ų2749.1 Ų49.118%0.17526%0.259CS..  trans-56.9147176.2-25.835.2000112.6F282 G317 V318 P367F282-P315 HydrophobicContact CE1-CG 4.08Å; F282-P315 HydrophobicContact CE2-CG 4.28Å; F282-P315 HydrophobicContact CZ-CG 3.67Å; P315-G317 PolarHBondContact O-N 2.86Å; P315-V318 WeakPolarHBondContact O-CB 3.38Å; P315-V318 PolarHBondContact O-N 2.82Å; P315-P367 HydrophobicContact CB-CB 4.22Å; P315-P367 HydrophobicContact CB-CG 3.74Å; P315-P367 HydrophobicContact CG-CB 3.96Å; P315-P367 HydrophobicContact CG-CG 3.57Å
316R89.3Confident95.5Very high227 Ų22751.2 Ų51.286%0.85727%0.273SS*.THydrogen-bonded Turntrans-55.2-30.7-177.5-65.8-175.1-177.2-1701.4113.8V318 K337R316-V318 PolarHBondContact O-N 2.92Å; R316-K337 WeakPolarHBondContact O-CE 3.49Å
317G89.3Confident95.6Very high19 Ų1950.7 Ų50.720%0.19627%0.271CS..THydrogen-bonded Turntrans-68.8-12.1177.300000114.9P315 L319 L360 Q361P315-G317 PolarHBondContact O-N 2.86Å; G317-L319 PolarHBondContact O-N 2.91Å; G317-L360 CarbonylContact O-C 3.52Å; G317-L360 VanDerWaalsContact O-CA 3.31Å; G317-L360 WeakPolarHBondContact O-CA 3.48Å; G317-Q361 PolarHBondContact O-N 2.82Å
318V92.6Very high95.5Very high0 Ų049.8 Ų49.80%027%0.267CS..EExtended strand (participates in β ladder)trans-75.5118.2175.6-179.20000109.7F282 L314 P315 R316 T321 F332 K337 M358 L360F282-V318 HydrophobicContact CE1-CG2 4Å; L314-V318 HydrophobicContact CB-CB 4.3Å; L314-V318 HydrophobicContact CB-CG2 4.16Å; L314-V318 HydrophobicContact CD1-CG1 4.03Å; P315-V318 WeakPolarHBondContact O-CB 3.38Å; P315-V318 PolarHBondContact O-N 2.82Å; R316-V318 PolarHBondContact O-N 2.92Å; V318-T321 HydrophobicContact CG1-CG2 4.13Å; V318-F332 HydrophobicContact CG1-CE1 4.47Å; V318-F332 HydrophobicContact CG1-CE2 4.45Å; V318-F332 HydrophobicContact CG1-CZ 3.92Å; V318-K337 WeakPolarHBondContact O-CD 3.35Å; V318-K337 WeakPolarHBondContact O-CE 3.46Å; V318-K337 PolarHBondContact O-NZ 3.4Å; V318-M358 HydrophobicContact CG1-CB 4.36Å; V318-M358 HydrophobicContact CG2-SD 4.39Å; V318-L360 HydrophobicContact CB-CD2 4.49Å; V318-L360 HydrophobicContact CG2-CD2 3.71Å
319L93.1Very high95.5Very high85 Ų8554.6 Ų54.645%0.44530%0.297SS..EExtended strand (participates in β ladder)trans-92.3-39.2179.9-61.9-178000112.2G317 S359 Q361G317-L319 PolarHBondContact O-N 2.91Å; L319-S359 PolarHBondContact N-O 2.93Å; L319-Q361 HydrophobicContact CD1-CB 4.2Å; L319-Q361 HydrophobicContact CD2-CB 4.34Å; L319-Q361 HydrophobicContact CG-CB 4.26Å
320N94.1Very high95.5Very high92 Ų9255.2 Ų55.249%0.49230%0.296SS..EExtended strand (participates in β ladder)trans-154.9162.5-179.6-164.917.2000111.1S359N320-S359 PolarHBondContact O-N 3.36Å
321T96.1Very high95.5Very high6 Ų659.8 Ų59.84%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-127.9129.8175.665.20000110.1L314 V318 F332 M358L314-T321 HydrophobicContact CD1-CG2 3.72Å; V318-T321 HydrophobicContact CG1-CG2 4.13Å; T321-F332 HydrophobicContact CG2-CB 4.34Å; T321-F332 HydrophobicContact CG2-CD1 4.06Å; T321-F332 HydrophobicContact CG2-CD2 3.99Å; T321-F332 HydrophobicContact CG2-CE1 4.38Å; T321-F332 HydrophobicContact CG2-CE2 4.32Å; T321-F332 HydrophobicContact CG2-CG 3.84Å; T321-F332 HydrophobicContact CG2-CZ 4.5Å; T321-F332 WeakPolarHBondContact OG1-CB 3.41Å; T321-M358 HydrophobicContact CG2-CG 4.16Å
322N96.4Very high95.5Very high98 Ų9859.2 Ų59.252%0.52431%0.314SS..EExtended strand (participates in β ladder)trans-11387.6171.2-170-45.4000108.1G356 S357N322-G356 WeakPolarHBondContact O-CA 3.43Å; N322-S357 PolarHBondContact N-O 3.21Å; N322-S357 PolarHBondContact O-N 3.3Å
323L97.6Very high95.5Very high5 Ų561.7 Ų61.73%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-112150.6-175.1-48.6178.1000110.7F291 Y330 L339 L354F291-L323 HydrophobicContact CB-CD2 3.84Å; F291-L323 HydrophobicContact CD1-CD1 4.04Å; F291-L323 HydrophobicContact CD1-CD2 4.27Å; F291-L323 HydrophobicContact CE1-CD1 4.49Å; F291-L323 HydrophobicContact CG-CD1 4.46Å; F291-L323 HydrophobicContact CG-CD2 4.36Å; L323-Y330 HydrophobicContact CB-CD1 4.44Å; L323-Y330 HydrophobicContact CB-CD2 4.4Å; L323-Y330 HydrophobicContact CB-CE1 4.03Å; L323-Y330 HydrophobicContact CB-CE2 3.97Å; L323-Y330 HydrophobicContact CD1-CD2 4.24Å; L323-Y330 HydrophobicContact CD1-CE2 4.23Å; L323-Y330 HydrophobicContact CG-CE2 4.19Å; L323-Y330 PolarHBondContact N-OH 2.86Å; L323-Y330 WeakPolarHBondContact O-CE1 3.39Å; L323-Y330 PolarHBondContact O-OH 3.01Å; L323-Y330 VanDerWaalsContact O-OH 3.06Å; L323-L339 HydrophobicContact CD1-CD1 3.89Å; L323-L339 HydrophobicContact CD1-CD2 3.85Å; L323-L354 HydrophobicContact CB-CD1 3.55Å; L323-L354 HydrophobicContact CB-CG 3.99Å; L323-L354 HydrophobicContact CD1-CD1 4.25Å; L323-L354 HydrophobicContact CD1-CD2 3.77Å; L323-L354 HydrophobicContact CD1-CG 3.92Å
324N97.8Very high95.4Very high109 Ų10960.2 Ų60.258%0.58333%0.326SS*.EExtended strand (participates in β ladder)trans-118.7106.3178.3-65.7-76.6000108.7K355N324-K355 PolarHBondContact N-O 3.45Å; N324-K355 PolarHBondContact O-N 3.31Å; N324-K355 VanDerWaalsContact O-N 3.17Å
325P97.5Very high95.4Very high47 Ų4765.9 Ų65.931%0.30536%0.361SS..EExtended strand (participates in β ladder)trans-75.5132.1172.929.2-31.6000109.9Q327 Y330 S353 L354P325-Q327 VanDerWaalsContact C-N 3.25Å; P325-Y330 HydrophobicContact CG-CD1 4.05Å; P325-S353 CarbonylContact C-O 3.52Å; P325-S353 WeakPolarHBondContact CA-O 3.31Å; P325-L354 HydrophobicContact CB-CD1 3.91Å; P325-L354 HydrophobicContact CG-CD1 4.49Å
326S96.9Very high95.4Very high47 Ų4768 Ų6833%0.32937%0.373SS..SBendtrans-79.5-13.3169.472.50000112.8S353S326-S353 WeakPolarHBondContact CB-OG 2.93Å; S326-S353 PolarHBondContact N-O 2.84Å; S326-S353 PolarHBondContact OG-N 3.09Å; S326-S353 PolarHBondContact OG-O 3.13Å; S326-S353 PolarHBondContact OG-OG 3.01Å
327Q96.4Very high95.7Very high49 Ų4958.8 Ų58.823%0.22934%0.339CS..SBendtrans-157.3143.3176.6175.4174.1-26.800109P325 W341 V343 K345 P352P325-Q327 VanDerWaalsContact C-N 3.25Å; Q327-W341 PolarHBondContact O-NE1 2.65Å; Q327-V343 HydrophobicContact CG-CG1 4.3Å; Q327-V343 PolarHBondContact NE2-O 3.19Å; Q327-K345 PolarHBondContact NE2-O 3.38Å; Q327-P352 HydrophobicContact CB-CB 3.94Å; Q327-P352 HydrophobicContact CG-CB 4.48Å
328G95.9Very high96.1Very high37 Ų3761.1 Ų61.138%0.38135%0.347SS..SBendtrans76.5-168.1176.200000113.3D342G328-D342 CarbonylContact C-O 3.58Å; G328-D342 WeakPolarHBondContact CA-O 3.07Å
329T97.6Very high96.4Very high100 Ų10061.4 Ų61.461%0.61335%0.348SS*.EExtended strand (participates in β ladder)trans-128.8145-177.554.20000110.5D342T329-D342 PolarHBondContact N-O 3.34Å; T329-D342 PolarHBondContact O-N 2.85Å
330Y98.1Very high96.6Very high70 Ų7059 Ų5928%0.27534%0.338SS..EExtended strand (participates in β ladder)trans-118.1154.4175.682.2-79.6000110.4L323 P325 L339 S340 L354L323-Y330 HydrophobicContact CB-CD1 4.44Å; L323-Y330 HydrophobicContact CB-CD2 4.4Å; L323-Y330 HydrophobicContact CB-CE1 4.03Å; L323-Y330 HydrophobicContact CB-CE2 3.97Å; L323-Y330 HydrophobicContact CD1-CD2 4.24Å; L323-Y330 HydrophobicContact CD1-CE2 4.23Å; L323-Y330 HydrophobicContact CG-CE2 4.19Å; L323-Y330 PolarHBondContact N-OH 2.86Å; L323-Y330 WeakPolarHBondContact O-CE1 3.39Å; L323-Y330 PolarHBondContact O-OH 3.01Å; L323-Y330 VanDerWaalsContact O-OH 3.06Å; P325-Y330 HydrophobicContact CG-CD1 4.05Å; Y330-L339 HydrophobicContact CD2-CD1 3.81Å; Y330-S340 CarbonylContact C-O 3.56Å; Y330-S340 WeakPolarHBondContact CA-O 3.19Å; Y330-S340 VanDerWaalsContact CB-O 3.32Å; Y330-S340 WeakPolarHBondContact CB-O 3.41Å; Y330-L354 HydrophobicContact CD1-CD1 3.95Å; Y330-L354 HydrophobicContact CG-CD1 4.08Å
331N98Very high96.8Very high101 Ų10154.6 Ų54.654%0.5432%0.315SS..EExtended strand (participates in β ladder)trans-136.9139.3172-178.650.5000109.3S340N331-S340 PolarHBondContact N-O 2.83Å; N331-S340 PolarHBondContact O-N 3.41Å; N331-S340 PolarHBondContact O-OG 2.74Å; N331-S340 VanDerWaalsContact O-OG 3.07Å
332F97.9Very high96.9Very high18 Ų1858.3 Ų58.38%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-122.3121.1174.2173.3-111.2000109.1L314 V318 T321 P334 K337 L339L314-F332 HydrophobicContact CB-CE2 4.39Å; L314-F332 HydrophobicContact CD1-CD2 4.02Å; L314-F332 HydrophobicContact CD1-CE2 3.73Å; L314-F332 HydrophobicContact CG-CE2 4.35Å; V318-F332 HydrophobicContact CG1-CE1 4.47Å; V318-F332 HydrophobicContact CG1-CE2 4.45Å; V318-F332 HydrophobicContact CG1-CZ 3.92Å; T321-F332 HydrophobicContact CG2-CB 4.34Å; T321-F332 HydrophobicContact CG2-CD1 4.06Å; T321-F332 HydrophobicContact CG2-CD2 3.99Å; T321-F332 HydrophobicContact CG2-CE1 4.38Å; T321-F332 HydrophobicContact CG2-CE2 4.32Å; T321-F332 HydrophobicContact CG2-CG 3.84Å; T321-F332 HydrophobicContact CG2-CZ 4.5Å; T321-F332 WeakPolarHBondContact OG1-CB 3.41Å; F332-P334 HydrophobicContact CE1-CB 4.02Å; F332-P334 WeakPolarHBondContact O-CD 3.46Å; F332-K337 HydrophobicContact CE2-CB 4.49Å; F332-K337 HydrophobicContact CZ-CD 4.11Å; F332-L339 HydrophobicContact CB-CD1 4.2Å; F332-L339 HydrophobicContact CD2-CB 4.24Å
333D96.9Very high97Very high54 Ų5453.9 Ų53.929%0.28931%0.311SS..  trans-90112.4172.5177.2-1.1000109.7V335 T336 K337 L338D333-V335 PolarHBondContact O-N 2.82Å; D333-V335 WeakPolarHBondContact OD1-CB 3.4Å; D333-V335 PolarHBondContact OD1-N 3.48Å; D333-T336 VanDerWaalsContact CB-OG1 3.32Å; D333-T336 WeakPolarHBondContact CB-OG1 3.3Å; D333-T336 PolarHBondContact OD1-N 3.19Å; D333-T336 WeakPolarHBondContact OD2-CB 3.3Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.14Å; D333-T336 PolarHBondContact OD2-OG1 3.43Å; D333-K337 WeakPolarHBondContact O-CA 3.4Å; D333-K337 PolarHBondContact O-N 3.12Å; D333-L338 PolarHBondContact N-O 3.25Å; D333-L338 PolarHBondContact O-N 3.13Å
334P94Very high96.9Very high69 Ų6954.8 Ų54.845%0.44832%0.321SS..THydrogen-bonded Turntrans-71.7-13.5-179.131.1-36.3000113.8F332 K337F332-P334 HydrophobicContact CE1-CB 4.02Å; F332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-K337 VanDerWaalsContact O-CD 3.31Å; P334-K337 WeakPolarHBondContact O-CD 3.26Å; P334-K337 WeakPolarHBondContact O-CE 3.31Å; P334-K337 PolarHBondContact O-NZ 2.86Å
335V93.8Very high96.8Very high124 Ų12455.7 Ų55.775%0.75232%0.32SS*.THydrogen-bonded Turntrans-84.9-59177.5179.70000109.6D333 K337D333-V335 PolarHBondContact O-N 2.82Å; D333-V335 WeakPolarHBondContact OD1-CB 3.4Å; D333-V335 PolarHBondContact OD1-N 3.48Å; V335-K337 VanDerWaalsContact C-N 3.25Å; V335-K337 PolarHBondContact O-N 3.22Å
336T95Very high96.6Very high72 Ų7253.8 Ų53.844%0.44231%0.307SS..THydrogen-bonded Turntrans-76.1-15.3179.4620000112.6Q313 D333 L338Q313-T336 PolarHBondContact NE2-O 2.85Å; D333-T336 VanDerWaalsContact CB-OG1 3.32Å; D333-T336 WeakPolarHBondContact CB-OG1 3.3Å; D333-T336 PolarHBondContact OD1-N 3.19Å; D333-T336 WeakPolarHBondContact OD2-CB 3.3Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.14Å; D333-T336 PolarHBondContact OD2-OG1 3.43Å; T336-L338 PolarHBondContact O-N 3.5Å; T336-L338 WeakPolarHBondContact OG1-CB 3.39Å; T336-L338 PolarHBondContact OG1-N 3.25Å
337K95.1Very high96Very high32 Ų3255.3 Ų55.314%0.13931%0.312CS..  trans62.421.5-172.6-46.9-63.1-177.5-174.20113.6L314 R316 V318 F332 D333 P334 V335L314-K337 PolarHBondContact N-O 3.25Å; L314-K337 WeakPolarHBondContact O-CB 3.21Å; R316-K337 WeakPolarHBondContact O-CE 3.49Å; V318-K337 WeakPolarHBondContact O-CD 3.35Å; V318-K337 WeakPolarHBondContact O-CE 3.46Å; V318-K337 PolarHBondContact O-NZ 3.4Å; F332-K337 HydrophobicContact CE2-CB 4.49Å; F332-K337 HydrophobicContact CZ-CD 4.11Å; D333-K337 WeakPolarHBondContact O-CA 3.4Å; D333-K337 PolarHBondContact O-N 3.12Å; P334-K337 VanDerWaalsContact O-CD 3.31Å; P334-K337 WeakPolarHBondContact O-CD 3.26Å; P334-K337 WeakPolarHBondContact O-CE 3.31Å; P334-K337 PolarHBondContact O-NZ 2.86Å; V335-K337 VanDerWaalsContact C-N 3.25Å; V335-K337 PolarHBondContact O-N 3.22Å
338L97.1Very high95.4Very high68 Ų6856.9 Ų56.936%0.35633%0.327SS..EExtended strand (participates in β ladder)trans-84.3116.7178.5-173.963.9000110.4D333 T336D333-L338 PolarHBondContact N-O 3.25Å; D333-L338 PolarHBondContact O-N 3.13Å; T336-L338 PolarHBondContact O-N 3.5Å; T336-L338 WeakPolarHBondContact OG1-CB 3.39Å; T336-L338 PolarHBondContact OG1-N 3.25Å
339L98.1Very high95Very high6 Ų663 Ų633%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-89.4130165.3176.364.8000108.8F291 S311 S312 L314 L323 Y330 F332 L354F291-L339 HydrophobicContact CD1-CD2 4.47Å; F291-L339 HydrophobicContact CD2-CD2 4.33Å; F291-L339 HydrophobicContact CE1-CD2 3.95Å; F291-L339 HydrophobicContact CE2-CD2 3.78Å; F291-L339 HydrophobicContact CZ-CD2 3.58Å; S311-L339 CarbonylContact C-O 3.54Å; S311-L339 VanDerWaalsContact CA-O 3.24Å; S311-L339 WeakPolarHBondContact CA-O 3.17Å; S312-L339 PolarHBondContact N-O 2.98Å; S312-L339 PolarHBondContact O-N 3.43Å; L314-L339 HydrophobicContact CD1-CB 4.03Å; L314-L339 HydrophobicContact CD1-CD2 4.39Å; L314-L339 HydrophobicContact CG-CB 4.07Å; L323-L339 HydrophobicContact CD1-CD1 3.89Å; L323-L339 HydrophobicContact CD1-CD2 3.85Å; Y330-L339 HydrophobicContact CD2-CD1 3.81Å; F332-L339 HydrophobicContact CB-CD1 4.2Å; F332-L339 HydrophobicContact CD2-CB 4.24Å; L339-L354 HydrophobicContact CD2-CD2 4.43Å
340S98.1Very high94.6Very high34 Ų3464.9 Ų64.924%0.23835%0.345CS..EExtended strand (participates in β ladder)trans-126.8139.8175.657.80000110.3I310 Y330 N331I310-S340 CarbonylContact O-C 3.5Å; I310-S340 VanDerWaalsContact O-CA 3.31Å; I310-S340 WeakPolarHBondContact O-CA 3.29Å; Y330-S340 CarbonylContact C-O 3.56Å; Y330-S340 WeakPolarHBondContact CA-O 3.19Å; Y330-S340 VanDerWaalsContact CB-O 3.32Å; Y330-S340 WeakPolarHBondContact CB-O 3.41Å; N331-S340 PolarHBondContact N-O 2.83Å; N331-S340 PolarHBondContact O-N 3.41Å; N331-S340 PolarHBondContact O-OG 2.74Å; N331-S340 VanDerWaalsContact O-OG 3.07Å
341W98.4Very high94.4Very high1 Ų164.5 Ų64.50%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-137.1109.7176.917628.6000110L293 L295 I310 Q327 V343 P352 L354L293-W341 HydrophobicContact CD2-CE3 4.13Å; L293-W341 HydrophobicContact CD2-CZ3 4.08Å; L293-W341 HydrophobicContact CG-CZ3 4.3Å; L295-W341 HydrophobicContact CD1-CZ3 4.25Å; L295-W341 HydrophobicContact CG-CZ3 4.27Å; I310-W341 HydrophobicContact CB-CB 4.36Å; I310-W341 HydrophobicContact CD1-CD2 4.2Å; I310-W341 HydrophobicContact CD1-CE3 3.22Å; I310-W341 HydrophobicContact CD1-CZ3 3.39Å; I310-W341 HydrophobicContact CG1-CE3 4.41Å; I310-W341 PolarHBondContact N-O 2.83Å; I310-W341 PolarHBondContact O-N 3.44Å; Q327-W341 PolarHBondContact O-NE1 2.65Å; W341-V343 HydrophobicContact CD2-CG2 3.7Å; W341-V343 HydrophobicContact CE3-CG2 4.1Å; W341-V343 HydrophobicContact CG-CG2 4.14Å; W341-V343 HydrophobicContact CH2-CG2 4.05Å; W341-V343 HydrophobicContact CZ2-CG1 4.27Å; W341-V343 HydrophobicContact CZ2-CG2 3.73Å; W341-V343 HydrophobicContact CZ3-CG2 4.24Å; W341-P352 HydrophobicContact CH2-CB 3.88Å; W341-P352 HydrophobicContact CZ2-CB 3.85Å; W341-L354 HydrophobicContact CB-CD2 3.96Å; W341-L354 HydrophobicContact CD2-CB 3.87Å; W341-L354 HydrophobicContact CD2-CD2 4Å; W341-L354 HydrophobicContact CD2-CG 4.45Å; W341-L354 HydrophobicContact CE3-CB 3.65Å; W341-L354 HydrophobicContact CE3-CD2 4.05Å; W341-L354 HydrophobicContact CE3-CG 4.48Å; W341-L354 HydrophobicContact CG-CD2 3.96Å; W341-L354 HydrophobicContact CH2-CB 4.21Å; W341-L354 HydrophobicContact CZ2-CB 4.32Å; W341-L354 HydrophobicContact CZ3-CB 3.86Å
342D98.2Very high94.4Very high84 Ų8459.7 Ų59.745%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-87.4108.3174.6-173.2-10.8000109.1L309 G328 T329 G344L309-D342 HydrophobicContact CD1-CB 4.01Å; G328-D342 CarbonylContact C-O 3.58Å; G328-D342 WeakPolarHBondContact CA-O 3.07Å; T329-D342 PolarHBondContact N-O 3.34Å; T329-D342 PolarHBondContact O-N 2.85Å; D342-G344 PolarHBondContact OD1-N 2.88Å; D342-G344 VanDerWaalsContact OD1-N 3.1Å
343V97.7Very high94.3Very high5 Ų559.7 Ų59.73%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-91.3-27.8-177.8-169.80000111.1L295 V308 I310 Q327 W341 I346 P352L295-V343 HydrophobicContact CD1-CG2 4.19Å; V308-V343 HydrophobicContact CB-CB 4.08Å; V308-V343 HydrophobicContact CG1-CB 4.18Å; V308-V343 HydrophobicContact CG1-CG2 4.16Å; V308-V343 WeakPolarHBondContact O-CB 3.39Å; V308-V343 PolarHBondContact O-N 2.91Å; I310-V343 HydrophobicContact CD1-CG2 4.43Å; Q327-V343 HydrophobicContact CG-CG1 4.3Å; Q327-V343 PolarHBondContact NE2-O 3.19Å; W341-V343 HydrophobicContact CD2-CG2 3.7Å; W341-V343 HydrophobicContact CE3-CG2 4.1Å; W341-V343 HydrophobicContact CG-CG2 4.14Å; W341-V343 HydrophobicContact CH2-CG2 4.05Å; W341-V343 HydrophobicContact CZ2-CG1 4.27Å; W341-V343 HydrophobicContact CZ2-CG2 3.73Å; W341-V343 HydrophobicContact CZ3-CG2 4.24Å; V343-I346 HydrophobicContact CG1-CG1 4.32Å; V343-P352 HydrophobicContact CG1-CB 3.52Å; V343-P352 HydrophobicContact CG1-CG 3.71Å
344G96.1Very high94.4Very high23 Ų2357.2 Ų57.224%0.23731%0.31CS..EExtended strand (participates in β ladder)trans69-125.9-171.200000113A307 V308 D342A307-G344 PolarHBondContact N-O 2.62Å; V308-G344 WeakPolarHBondContact CB-O 3.49Å; V308-G344 PolarHBondContact N-O 2.99Å; V308-G344 PolarHBondContact O-N 3.18Å; D342-G344 PolarHBondContact OD1-N 2.88Å; D342-G344 VanDerWaalsContact OD1-N 3.1Å
345K95.1Very high94.6Very high128 Ų12858.2 Ų58.256%0.55731%0.308SS*.SBendtrans-93.1125.1-177.6-179.8167.4-176.71530111.3L305 E306 Q327 N347L305-K345 WeakPolarHBondContact O-CA 3.12Å; E306-K345 HydrophobicContact CG-CD 4.12Å; E306-K345 HydrophobicContact CG-CG 4.11Å; E306-K345 WeakPolarHBondContact OE1-CE 3.29Å; E306-K345 IonicContact OE1-NZ 3.35Å; E306-K345 PolarHBondContact OE1-NZ 2.91Å; Q327-K345 PolarHBondContact NE2-O 3.38Å; K345-N347 PolarHBondContact O-N 3.18Å
346I93.4Very high94.7Very high7 Ų753.4 Ų53.44%0.03628%0.283CS..  trans-77.7127-179.9-61.7-173.8000110.4L295 L305 V308 V343 P352L295-I346 HydrophobicContact CB-CD1 4.36Å; L305-I346 HydrophobicContact CB-CB 4.2Å; L305-I346 HydrophobicContact CB-CD1 4.16Å; L305-I346 HydrophobicContact CB-CG1 4.24Å; L305-I346 HydrophobicContact CD1-CD1 4.06Å; L305-I346 PolarHBondContact O-N 3.37Å; V308-I346 HydrophobicContact CB-CD1 4.42Å; V308-I346 HydrophobicContact CB-CG1 4.39Å; V308-I346 HydrophobicContact CG1-CD1 4.25Å; V308-I346 HydrophobicContact CG2-CD1 3.9Å; V308-I346 HydrophobicContact CG2-CG1 3.89Å; V343-I346 HydrophobicContact CG1-CG1 4.32Å; I346-P352 HydrophobicContact CD1-CG 4.26Å; I346-P352 HydrophobicContact CG1-CG 4.15Å; I346-P352 HydrophobicContact CG2-CG 4.28Å
347N85.8Confident94.7Very high79 Ų7952.4 Ų52.442%0.42228%0.279SS..  trans-96115.1170.5-177.5-38.5000109.3K345 Q349 K350K345-N347 PolarHBondContact O-N 3.18Å; N347-Q349 PolarHBondContact O-N 3.38Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.45Å; N347-Q349 PolarHBondContact OD1-N 3.38Å; N347-Q349 PolarHBondContact OD1-OE1 2.96Å; N347-K350 CarbonylContact O-C 3.56Å; N347-K350 PolarHBondContact O-N 3.01Å; N347-K350 VanDerWaalsContact O-O 3.11Å
348P83.4Confident94.7Very high83 Ų8350.9 Ų50.954%0.53927%0.273SS..THydrogen-bonded Turntrans-61-25.8-176.9-2433.7000114.9P297 K350P297-P348 HydrophobicContact CG-CB 4.29Å; P297-P348 HydrophobicContact CG-CG 4.36Å; P348-K350 VanDerWaalsContact C-N 3.34Å
349Q86.6Confident94.5Very high166 Ų16650.2 Ų50.278%0.77627%0.274SS*.THydrogen-bonded Turntrans-71.9-28.2-177.9-69.777.9-7.300112.6N347N347-Q349 PolarHBondContact O-N 3.38Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.45Å; N347-Q349 PolarHBondContact OD1-N 3.38Å; N347-Q349 PolarHBondContact OD1-OE1 2.96Å
350K89.4Confident94.2Very high139 Ų13950.8 Ų50.860%0.60428%0.276SS*.SBendtrans-136.198.4177.6-174.2-178.9178.3-174.20109.5N347 P348N347-K350 CarbonylContact O-C 3.56Å; N347-K350 PolarHBondContact O-N 3.01Å; N347-K350 VanDerWaalsContact O-O 3.11Å; P348-K350 VanDerWaalsContact C-N 3.34Å
351L94.1Very high93.7Very high61 Ų6154.5 Ų54.532%0.31929%0.29SS..  trans-62.4129.3-176.9-62.2174.3000111.4Y275 T294Y275-L351 WeakPolarHBondContact OH-CD1 3.3Å; T294-L351 HydrophobicContact CG2-CB 4.07Å
352P97.1Very high93Very high1 Ų158.1 Ų58.11%0.00632%0.32CS..  trans-68.6139.7177.328.4-35.3000110.5T294 L295 Q327 W341 V343 I346T294-P352 WeakPolarHBondContact CA-O 3.42Å; L295-P352 HydrophobicContact CB-CG 4.17Å; L295-P352 PolarHBondContact N-O 3.03Å; L295-P352 WeakPolarHBondContact O-CD 3.19Å; Q327-P352 HydrophobicContact CB-CB 3.94Å; Q327-P352 HydrophobicContact CG-CB 4.48Å; W341-P352 HydrophobicContact CH2-CB 3.88Å; W341-P352 HydrophobicContact CZ2-CB 3.85Å; V343-P352 HydrophobicContact CG1-CB 3.52Å; V343-P352 HydrophobicContact CG1-CG 3.71Å; I346-P352 HydrophobicContact CD1-CG 4.26Å; I346-P352 HydrophobicContact CG1-CG 4.15Å; I346-P352 HydrophobicContact CG2-CG 4.28Å
353S97.4Very high92.1Very high18 Ų1858.1 Ų58.113%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-142.8152178.564.10000111.7L293 T294 P325 S326L293-S353 CarbonylContact O-C 3.37Å; L293-S353 WeakPolarHBondContact O-CA 3.4Å; L293-S353 VanDerWaalsContact O-CB 3.25Å; L293-S353 WeakPolarHBondContact O-CB 3.42Å; T294-S353 WeakPolarHBondContact OG1-CB 3.34Å; P325-S353 CarbonylContact C-O 3.52Å; P325-S353 WeakPolarHBondContact CA-O 3.31Å; S326-S353 WeakPolarHBondContact CB-OG 2.93Å; S326-S353 PolarHBondContact N-O 2.84Å; S326-S353 PolarHBondContact OG-N 3.09Å; S326-S353 PolarHBondContact OG-O 3.13Å; S326-S353 PolarHBondContact OG-OG 3.01Å
354L98.2Very high91.1Very high1 Ų159.5 Ų59.51%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-129.5114.8174.2-178.764.8000107.8F291 E292 L293 L323 P325 Y330 L339 W341F291-L354 HydrophobicContact CE1-CD2 4.03Å; F291-L354 HydrophobicContact CE1-CG 4.34Å; E292-L354 CarbonylContact C-O 3.55Å; E292-L354 WeakPolarHBondContact CA-O 3.33Å; L293-L354 PolarHBondContact N-O 3.3Å; L293-L354 PolarHBondContact O-N 2.99Å; L323-L354 HydrophobicContact CB-CD1 3.55Å; L323-L354 HydrophobicContact CB-CG 3.99Å; L323-L354 HydrophobicContact CD1-CD1 4.25Å; L323-L354 HydrophobicContact CD1-CD2 3.77Å; L323-L354 HydrophobicContact CD1-CG 3.92Å; P325-L354 HydrophobicContact CB-CD1 3.91Å; P325-L354 HydrophobicContact CG-CD1 4.49Å; Y330-L354 HydrophobicContact CD1-CD1 3.95Å; Y330-L354 HydrophobicContact CG-CD1 4.08Å; L339-L354 HydrophobicContact CD2-CD2 4.43Å; W341-L354 HydrophobicContact CB-CD2 3.96Å; W341-L354 HydrophobicContact CD2-CB 3.87Å; W341-L354 HydrophobicContact CD2-CD2 4Å; W341-L354 HydrophobicContact CD2-CG 4.45Å; W341-L354 HydrophobicContact CE3-CB 3.65Å; W341-L354 HydrophobicContact CE3-CD2 4.05Å; W341-L354 HydrophobicContact CE3-CG 4.48Å; W341-L354 HydrophobicContact CG-CD2 3.96Å; W341-L354 HydrophobicContact CH2-CB 4.21Å; W341-L354 HydrophobicContact CZ2-CB 4.32Å; W341-L354 HydrophobicContact CZ3-CB 3.86Å
355K98.1Very high90.3Very high90 Ų9063.5 Ų63.539%0.39138%0.376SS..EExtended strand (participates in β ladder)trans-136140-172-58.7-176.3-174.1179.20112F291 E292 N324F291-K355 CarbonylContact O-C 3.56Å; F291-K355 VanDerWaalsContact O-CA 3.32Å; F291-K355 WeakPolarHBondContact O-CA 3.28Å; E292-K355 HydrophobicContact CB-CG 4.14Å; E292-K355 HydrophobicContact CG-CB 4.27Å; E292-K355 HydrophobicContact CG-CG 4.14Å; N324-K355 PolarHBondContact N-O 3.45Å; N324-K355 PolarHBondContact O-N 3.31Å; N324-K355 VanDerWaalsContact O-N 3.17Å
356G96.9Very high89.7Confident23 Ų2363.1 Ų63.124%0.23738%0.375CS..EExtended strand (participates in β ladder)trans166.6-155.5173.100000113.6F291 N322F291-G356 PolarHBondContact N-O 3.06Å; F291-G356 PolarHBondContact O-N 3.49Å; N322-G356 WeakPolarHBondContact O-CA 3.43Å
357S95.1Very high89.2Confident51 Ų5164.1 Ų64.136%0.35738%0.382SS..EExtended strand (participates in β ladder)trans-111.7153.2-177.660.50000112G289 N322G289-S357 CarbonylContact O-C 3.54Å; G289-S357 VanDerWaalsContact O-CA 3.3Å; G289-S357 WeakPolarHBondContact O-CA 3.45Å; N322-S357 PolarHBondContact N-O 3.21Å; N322-S357 PolarHBondContact O-N 3.3Å
358M95Very high89.1Confident1 Ų168.5 Ų68.51%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-114.3137.3171.7-61.3-175.5-7000108.5I280 F282 Q288 G289 F291 L314 V318 T321I280-M358 HydrophobicContact CG2-CE 4.05Å; F282-M358 HydrophobicContact CD1-CE 4.13Å; F282-M358 HydrophobicContact CE1-CE 3.44Å; F282-M358 VanDerWaalsContact CE1-CE 3.44Å; F282-M358 HydrophobicContact CE1-SD 4.35Å; F282-M358 HydrophobicContact CZ-CE 3.66Å; Q288-M358 CarbonylContact C-O 3.56Å; Q288-M358 WeakPolarHBondContact CA-O 3.48Å; G289-M358 PolarHBondContact N-O 2.81Å; G289-M358 PolarHBondContact O-N 2.86Å; F291-M358 HydrophobicContact CB-CE 4.17Å; F291-M358 HydrophobicContact CB-CG 4.06Å; F291-M358 HydrophobicContact CB-SD 4.02Å; F291-M358 HydrophobicContact CD2-SD 4.13Å; L314-M358 HydrophobicContact CD1-SD 4.04Å; L314-M358 HydrophobicContact CD2-SD 4.43Å; V318-M358 HydrophobicContact CG1-CB 4.36Å; V318-M358 HydrophobicContact CG2-SD 4.39Å; T321-M358 HydrophobicContact CG2-CG 4.16Å
359S92.6Very high89.1Confident54 Ų5472.3 Ų72.338%0.37842%0.416SS..EExtended strand (participates in β ladder)trans-93.1125.6173-610000109.1L319 N320L319-S359 PolarHBondContact N-O 2.93Å; N320-S359 PolarHBondContact O-N 3.36Å
360L90.4Very high89.2Confident17 Ų1766.6 Ų66.69%0.08939%0.39CS..EExtended strand (participates in β ladder)trans-104.6153.6179.9-61.2164.7000110.3F282 S287 G317 V318F282-L360 HydrophobicContact CB-CD1 4.49Å; F282-L360 HydrophobicContact CD1-CD1 4.01Å; F282-L360 HydrophobicContact CD1-CD2 3.8Å; F282-L360 HydrophobicContact CD1-CG 4.49Å; F282-L360 HydrophobicContact CE1-CD2 4.07Å; S287-L360 WeakPolarHBondContact CB-O 3.36Å; S287-L360 PolarHBondContact O-N 3.26Å; G317-L360 CarbonylContact O-C 3.52Å; G317-L360 VanDerWaalsContact O-CA 3.31Å; G317-L360 WeakPolarHBondContact O-CA 3.48Å; V318-L360 HydrophobicContact CB-CD2 4.49Å; V318-L360 HydrophobicContact CG2-CD2 3.71Å
361Q88.4Confident89.4Confident113 Ų11360.4 Ų60.453%0.52836%0.364SS..  trans-59.5136.9169.1-178176.4-14.100110.2G317 L319 G363 A364G317-Q361 PolarHBondContact O-N 2.82Å; L319-Q361 HydrophobicContact CD1-CB 4.2Å; L319-Q361 HydrophobicContact CD2-CB 4.34Å; L319-Q361 HydrophobicContact CG-CB 4.26Å; Q361-G363 PolarHBondContact O-N 3.22Å; Q361-A364 HydrophobicContact CB-CB 4.31Å; Q361-A364 WeakPolarHBondContact O-CB 3.2Å; Q361-A364 PolarHBondContact O-N 2.8Å
362A84.2Confident89.4Confident77 Ų7759.6 Ų59.664%0.63636%0.362SS*.THydrogen-bonded Turntrans-59.4130.8178.500000110.5A364A362-A364 VanDerWaalsContact C-N 3.26Å; A362-A364 PolarHBondContact O-N 3.37Å
363G78.6Confident89.5Confident83 Ų8359.5 Ų59.586%0.85636%0.362SS*.THydrogen-bonded Turntrans74.68.2-177.500000115.1Q361 S365Q361-G363 PolarHBondContact O-N 3.22Å; G363-S365 PolarHBondContact O-N 2.88Å
364A77.6Confident89.5Confident35 Ų3561.5 Ų61.529%0.28937%0.371SS..PPolyproline II helixtrans-62.2134.7173.500000110.8Q361 A362Q361-A364 HydrophobicContact CB-CB 4.31Å; Q361-A364 WeakPolarHBondContact O-CB 3.2Å; Q361-A364 PolarHBondContact O-N 2.8Å; A362-A364 VanDerWaalsContact C-N 3.26Å; A362-A364 PolarHBondContact O-N 3.37Å
365S78.8Confident89.5Confident107 Ų10761.6 Ų61.675%0.74837%0.372SS*.PPolyproline II helixtrans-65.3153.3168.954.50000110.1G363G363-S365 PolarHBondContact O-N 2.88Å
366K81.8Confident89.5Confident119 Ų11962.8 Ų62.852%0.51738%0.378SS..PPolyproline II helixtrans-58.1134.2167.2-175.2-175170.3-1720108.4F282F282-K366 HydrophobicContact CB-CG 4.23Å
367P84.3Confident89.5Confident29 Ų2961.9 Ų61.919%0.18837%0.368CS..PPolyproline II helixtrans-57.3142.2171.5-21.631.9000111F282 P315 E369F282-P367 HydrophobicContact CB-CG 4.49Å; F282-P367 HydrophobicContact CD1-CG 4.08Å; F282-P367 HydrophobicContact CD2-CG 3.86Å; F282-P367 HydrophobicContact CE1-CG 4.27Å; F282-P367 HydrophobicContact CE2-CG 4.06Å; F282-P367 HydrophobicContact CG-CG 3.88Å; F282-P367 HydrophobicContact CZ-CG 4.26Å; P315-P367 HydrophobicContact CB-CB 4.22Å; P315-P367 HydrophobicContact CB-CG 3.74Å; P315-P367 HydrophobicContact CG-CB 3.96Å; P315-P367 HydrophobicContact CG-CG 3.57Å; P367-E369 WeakPolarHBondContact CB-O 3.4Å; P367-E369 PolarHBondContact O-N 2.9Å
368D83Confident89.6Confident171 Ų17164 Ų6491%0.91437%0.371SS*.SBendtrans-61.1-33.6176.8-61.9-37.3000111.4
369E83.6Confident89.7Confident162 Ų16264 Ų6476%0.75737%0.371SS*.SBendtrans-136.4149.7-180-61.4-174.7169.800111.8P367P367-E369 WeakPolarHBondContact CB-O 3.4Å; P367-E369 PolarHBondContact O-N 2.9Å
370N89.3Confident89.9Confident46 Ų4664.2 Ų64.225%0.24637%0.366CS..PPolyproline II helixtrans-72.7148.9170.5-85-11.9000110.5I280 T418I280-N370 PolarHBondContact O-ND2 2.87Å; I280-N370 VanDerWaalsContact O-ND2 3.08Å; N370-T418 WeakPolarHBondContact CB-O 3.27Å; N370-T418 WeakPolarHBondContact CB-OG1 3.49Å; N370-T418 PolarHBondContact ND2-OXT 3.14Å
371P92.7Very high90Very high9 Ų969.6 Ų69.66%0.05839%0.391CS..PPolyproline II helixtrans-68.6141.4-178.230.6-36.8000111.7I280 Q313 L314 T418I280-P371 HydrophobicContact CD1-CG 4.24Å; I280-P371 HydrophobicContact CG2-CG 4.37Å; Q313-P371 WeakPolarHBondContact O-CB 3.33Å; L314-P371 HydrophobicContact CD2-CB 4.26Å; L314-P371 HydrophobicContact CD2-CG 3.86Å; P371-T418 PolarHBondContact O-OG1 3.36Å
372T95.4Very high90.3Very high44 Ų4464.7 Ų64.727%0.2737%0.369SS..PPolyproline II helixtrans-78.2147.3175.362.20000111.6S312 Q415 R417S312-T372 PolarHBondContact OG-O 3.14Å; T372-Q415 VanDerWaalsContact CB-NE2 3.31Å; T372-Q415 HydrophobicContact CG2-CG 4.4Å; T372-Q415 PolarHBondContact OG1-NE2 2.81Å; T372-Q415 VanDerWaalsContact OG1-NE2 3.09Å; T372-R417 HydrophobicContact CG2-CG 4.44Å
373I97.6Very high90.7Very high0 Ų061.7 Ų61.70%034%0.344CS..EExtended strand (participates in β ladder)trans-102.3122.6178.1-62.4179.4000108.8V276 H278 I280 L293 I310 I375 Q415 V416 T418V276-I373 HydrophobicContact CG1-CD1 4.37Å; H278-I373 HydrophobicContact CB-CD1 4.41Å; I280-I373 HydrophobicContact CD1-CD1 4.4Å; L293-I373 HydrophobicContact CD1-CD1 3.29Å; L293-I373 HydrophobicContact CD2-CD1 3.89Å; L293-I373 HydrophobicContact CD2-CG2 4.42Å; L293-I373 HydrophobicContact CG-CD1 4.22Å; I310-I373 HydrophobicContact CG2-CG2 3.61Å; I373-I375 HydrophobicContact CG2-CG1 4.11Å; I373-Q415 CarbonylContact O-C 3.56Å; I373-Q415 WeakPolarHBondContact O-CA 3.47Å; I373-V416 HydrophobicContact CB-CB 4.28Å; I373-V416 PolarHBondContact N-O 3.35Å; I373-V416 PolarHBondContact O-N 3.29Å; I373-T418 HydrophobicContact CB-CG2 4.48Å; I373-T418 HydrophobicContact CD1-CG2 3.51Å; I373-T418 HydrophobicContact CG1-CG2 3.65Å
374N98.1Very high91.4Very high60 Ų6058.4 Ų58.432%0.32131%0.306SS..EExtended strand (participates in β ladder)trans-98.5139.8171.3-55.2-62000109.3I310 S311 F414I310-N374 WeakPolarHBondContact CA-O 3.46Å; S311-N374 PolarHBondContact N-O 3.02Å; S311-N374 PolarHBondContact O-N 3.06Å; N374-F414 WeakPolarHBondContact CA-O 3.41Å
375I97.9Very high92.1Very high3 Ų357.6 Ų57.62%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-126.8126.1-176.7-45.1-179.8000109.2V274 V276 L295 V308 I373 F377 A411 F414 V416V274-I375 HydrophobicContact CG1-CD1 4.32Å; V276-I375 HydrophobicContact CG2-CD1 3.46Å; V276-I375 VanDerWaalsContact CG2-CD1 3.46Å; L295-I375 HydrophobicContact CD2-CD1 4.25Å; V308-I375 HydrophobicContact CG1-CG2 4.38Å; I373-I375 HydrophobicContact CG2-CG1 4.11Å; I375-F377 HydrophobicContact CG2-CD1 3.99Å; I375-A411 VanDerWaalsContact O-CB 3.3Å; I375-A411 WeakPolarHBondContact O-CB 3.38Å; I375-F414 HydrophobicContact CB-CD1 3.91Å; I375-F414 HydrophobicContact CD1-CD1 3.86Å; I375-F414 HydrophobicContact CD1-CE1 3.78Å; I375-F414 HydrophobicContact CG1-CD1 4.04Å; I375-F414 HydrophobicContact CG1-CE1 4.47Å; I375-F414 PolarHBondContact N-O 3.13Å; I375-F414 WeakPolarHBondContact O-CB 3.37Å; I375-V416 HydrophobicContact CD1-CG2 3.87Å
376Q98.1Very high92.7Very high114 Ų11454.9 Ų54.953%0.53329%0.288SS..EExtended strand (participates in β ladder)trans-104.4141.1164.7-61-178.80.300109V308 L309V308-Q376 CarbonylContact C-O 3.5Å; V308-Q376 VanDerWaalsContact CA-O 3.25Å; V308-Q376 WeakPolarHBondContact CA-O 3.46Å; L309-Q376 HydrophobicContact CB-CB 4.26Å; L309-Q376 PolarHBondContact N-O 3.32Å; L309-Q376 PolarHBondContact O-N 3.07Å
377F97.4Very high93.2Very high5 Ų549.4 Ų49.42%0.02226%0.264CS..EExtended strand (participates in β ladder)trans-158.7166.417560.1-98.5000110.8I187 P273 V274 L305 V308 I375 I379 K410 A411 F414I187-F377 HydrophobicContact CG2-CE2 4.08Å; I187-F377 HydrophobicContact CG2-CZ 3.57Å; P273-F377 HydrophobicContact CB-CE2 4.45Å; P273-F377 HydrophobicContact CG-CE1 4.16Å; P273-F377 HydrophobicContact CG-CE2 3.64Å; P273-F377 HydrophobicContact CG-CZ 3.34Å; V274-F377 HydrophobicContact CG2-CD1 3.88Å; V274-F377 HydrophobicContact CG2-CE1 3.96Å; V274-F377 HydrophobicContact CG2-CG 4.35Å; L305-F377 HydrophobicContact CD2-CB 4.08Å; L305-F377 HydrophobicContact CD2-CD2 3.78Å; L305-F377 HydrophobicContact CD2-CE2 4.44Å; L305-F377 HydrophobicContact CD2-CG 3.95Å; V308-F377 HydrophobicContact CG2-CB 3.92Å; I375-F377 HydrophobicContact CG2-CD1 3.99Å; F377-I379 HydrophobicContact CD2-CD1 4.35Å; F377-I379 HydrophobicContact CD2-CG1 4.08Å; F377-I379 HydrophobicContact CE2-CD1 4.12Å; F377-I379 HydrophobicContact CE2-CG1 4.3Å; F377-K410 VanDerWaalsContact O-CA 3.28Å; F377-K410 WeakPolarHBondContact O-CA 3.4Å; F377-A411 HydrophobicContact CD1-CB 3.73Å; F377-A411 HydrophobicContact CE1-CB 3.66Å; F377-A411 HydrophobicContact CE2-CB 4.46Å; F377-A411 HydrophobicContact CG-CB 4.16Å; F377-A411 HydrophobicContact CZ-CB 4.04Å; F377-A411 PolarHBondContact O-N 3.31Å; F377-F414 HydrophobicContact CE1-CB 4.48Å; F377-F414 HydrophobicContact CE1-CD1 4.48Å; F377-F414 AromaticContact CE1-CD2 3.77Å; F377-F414 HydrophobicContact CE1-CD2 3.77Å; F377-F414 HydrophobicContact CE1-CE2 4.07Å; F377-F414 AromaticContact CE1-CG 3.99Å; F377-F414 HydrophobicContact CE1-CG 3.99Å; F377-F414 HydrophobicContact CZ-CD2 4.08Å; F377-F414 HydrophobicContact CZ-CE2 4.27Å
378K97.3Very high93.7Very high96 Ų9654 Ų5442%0.41728%0.281SS..EExtended strand (participates in β ladder)trans-132.1143.3169.7-63.3-178.5-177.5175.50110.6E306 A307 T409 K410E306-K378 PolarHBondContact N-O 3.41Å; E306-K378 PolarHBondContact O-N 2.87Å; A307-K378 HydrophobicContact CB-CD 4.37Å; A307-K378 HydrophobicContact CB-CG 4.45Å; K378-T409 CarbonylContact C-O 3.56Å; K378-T409 WeakPolarHBondContact CA-O 3.43Å; K378-K410 HydrophobicContact CG-CB 4.21Å
379I96.7Very high94.3Very high0 Ų046.5 Ų46.50%024%0.241CC..EExtended strand (participates in β ladder)trans-126.1108.6173.1-51.3175.8000107.2P273 K303 L305 F377 L384 M408 T409P273-I379 HydrophobicContact CB-CD1 3.53Å; P273-I379 HydrophobicContact CG-CD1 4.19Å; K303-I379 HydrophobicContact CB-CG2 3.48Å; K303-I379 VanDerWaalsContact CB-CG2 3.48Å; K303-I379 HydrophobicContact CG-CG2 4.34Å; L305-I379 HydrophobicContact CD2-CD1 3.9Å; L305-I379 HydrophobicContact CD2-CG1 3.72Å; F377-I379 HydrophobicContact CD2-CD1 4.35Å; F377-I379 HydrophobicContact CD2-CG1 4.08Å; F377-I379 HydrophobicContact CE2-CD1 4.12Å; F377-I379 HydrophobicContact CE2-CG1 4.3Å; I379-L384 HydrophobicContact CD1-CD1 4.34Å; I379-L384 HydrophobicContact CD1-CD2 4.29Å; I379-M408 WeakPolarHBondContact O-CA 3.46Å; I379-T409 PolarHBondContact N-O 3.35Å; I379-T409 PolarHBondContact O-N 3.41Å
380Q95.8Very high94.9Very high59 Ų5943.4 Ų43.428%0.27623%0.23SC..EExtended strand (participates in β ladder)trans-77.2149.8177-63.5-65.8-13.700110.9S382Q380-S382 PolarHBondContact O-N 3.06Å
381Q94.3Very high95.2Very high130 Ų13048 Ų4861%0.60724%0.244SC*.THydrogen-bonded Turntrans58.234178.3-52176.4-14.900113.5K303 Y407K303-Q381 HydrophobicContact CD-CB 4.5Å; K303-Q381 WeakPolarHBondContact CE-O 3.34Å; Q381-Y407 WeakPolarHBondContact CA-O 3.33Å; Q381-Y407 PolarHBondContact N-O 2.76Å
382S93.4Very high95.4Very high10 Ų1048.3 Ų48.37%0.0725%0.245CC..  trans-141.7140.4179.3-166.20000111.8Q380 M408 T409Q380-S382 PolarHBondContact O-N 3.06Å; S382-M408 CarbonylContact O-C 3.55Å; S382-M408 WeakPolarHBondContact O-CA 3.4Å; S382-M408 PolarHBondContact O-N 3.2Å; S382-T409 PolarHBondContact O-N 2.92Å; S382-T409 VanDerWaalsContact O-N 3.15Å; S382-T409 PolarHBondContact O-OG1 2.9Å
383A94Very high95.4Very high13 Ų1347.7 Ų47.711%0.10724%0.24CC..  trans-117.6114.9159.100000106.5V183 E185 S385 G386 Y407V183-A383 HydrophobicContact CG1-CB 4.37Å; E185-A383 HydrophobicContact CG-CB 4.39Å; E185-A383 VanDerWaalsContact OE2-CA 3.23Å; E185-A383 WeakPolarHBondContact OE2-CA 3.09Å; A383-S385 PolarHBondContact O-N 2.91Å; A383-G386 PolarHBondContact O-N 2.89Å; A383-Y407 HydrophobicContact CB-CD1 3.9Å
384L92.6Very high95.3Very high15 Ų1549.1 Ų49.18%0.07925%0.247CC..THydrogen-bonded Turntrans-67.2-21.4-178.3-72.2-179.3000113E185 I187 I202 P273 I379 G386 T409E185-L384 PolarHBondContact OE2-N 3.25Å; I187-L384 HydrophobicContact CD1-CD1 4.08Å; I187-L384 HydrophobicContact CG2-CD1 4.39Å; I202-L384 HydrophobicContact CD1-CB 4.14Å; P273-L384 HydrophobicContact CB-CD1 4.02Å; P273-L384 HydrophobicContact CB-CD2 4.39Å; P273-L384 HydrophobicContact CG-CD1 3.69Å; I379-L384 HydrophobicContact CD1-CD1 4.34Å; I379-L384 HydrophobicContact CD1-CD2 4.29Å; L384-G386 PolarHBondContact O-N 3.3Å; L384-T409 HydrophobicContact CB-CG2 4.26Å; L384-T409 HydrophobicContact CD1-CG2 3.53Å; L384-T409 HydrophobicContact CG-CG2 3.71Å; L384-T409 PolarHBondContact N-OG1 3.18Å
385S91.9Very high95.2Very high18 Ų1851.7 Ų51.713%0.12625%0.253CS..THydrogen-bonded Turntrans-64-18.4169.866.80000112.9E185 L227 A383 L387E185-S385 WeakPolarHBondContact OE1-CB 3.33Å; E185-S385 PolarHBondContact OE1-OG 3.41Å; E185-S385 PolarHBondContact OE2-N 3.16Å; L227-S385 VanDerWaalsContact CD1-O 3.31Å; L227-S385 WeakPolarHBondContact CD1-O 3.29Å; A383-S385 PolarHBondContact O-N 2.91Å; S385-L387 VanDerWaalsContact C-N 3.26Å; S385-L387 WeakPolarHBondContact OG-CB 3.41Å; S385-L387 PolarHBondContact OG-N 2.69Å
386G90.8Very high94.9Very high50 Ų5055 Ų5552%0.51529%0.287SS..  trans79.56.3-168.500000113.6A383 L384 K388A383-G386 PolarHBondContact O-N 2.89Å; L384-G386 PolarHBondContact O-N 3.3Å; G386-K388 PolarHBondContact O-N 2.64Å
387L92.8Very high94.7Very high4 Ų452.3 Ų52.32%0.02128%0.275CS..  trans-58.4124.8175.1-173.369.9000109.9V183 I206 F222 L227 L228 Y262 S385 Y407V183-L387 HydrophobicContact CG1-CD2 4.22Å; I206-L387 HydrophobicContact CD1-CD2 4.37Å; F222-L387 HydrophobicContact CB-CD1 4.22Å; F222-L387 HydrophobicContact CD1-CD1 3.63Å; F222-L387 HydrophobicContact CD1-CD2 4.38Å; F222-L387 HydrophobicContact CD1-CG 4.02Å; F222-L387 HydrophobicContact CE1-CD1 4.19Å; F222-L387 HydrophobicContact CE1-CD2 4.18Å; F222-L387 HydrophobicContact CE1-CG 4.3Å; F222-L387 HydrophobicContact CG-CD1 3.99Å; L227-L387 HydrophobicContact CB-CD1 4.49Å; L227-L387 HydrophobicContact CD1-CB 4.45Å; L228-L387 HydrophobicContact CD1-CD1 3.99Å; L228-L387 HydrophobicContact CD2-CD1 4.21Å; L228-L387 HydrophobicContact CD2-CD2 4.09Å; L228-L387 HydrophobicContact CG-CD1 3.95Å; Y262-L387 HydrophobicContact CE1-CD2 3.71Å; Y262-L387 HydrophobicContact CE2-CD2 4.19Å; Y262-L387 WeakPolarHBondContact OH-CD2 3.38Å; S385-L387 VanDerWaalsContact C-N 3.26Å; S385-L387 WeakPolarHBondContact OG-CB 3.41Å; S385-L387 PolarHBondContact OG-N 2.69Å; L387-Y407 WeakPolarHBondContact O-CE1 3.39Å
388K94.4Very high94.4Very high125 Ų12562.4 Ų62.454%0.54332%0.319SS..  trans-137.5126.4179.1-175.1175.4177.5-1760109.5F222 M223 G386 N390F222-K388 CarbonylContact C-O 3.58Å; F222-K388 WeakPolarHBondContact CA-O 3.46Å; M223-K388 HydrophobicContact CB-CB 4.33Å; M223-K388 HydrophobicContact CG-CB 4.1Å; M223-K388 HydrophobicContact CG-CD 4.17Å; M223-K388 HydrophobicContact CG-CG 4.09Å; M223-K388 PolarHBondContact N-O 3.34Å; G386-K388 PolarHBondContact O-N 2.64Å; K388-N390 PolarHBondContact O-N 3.27Å
389V95.6Very high94.3Very high13 Ų1360.4 Ų60.48%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-64.7127.9169175.30000108.9L220 F222 I405 Y407L220-V389 HydrophobicContact CD1-CB 4.36Å; L220-V389 HydrophobicContact CD1-CG1 3.37Å; L220-V389 HydrophobicContact CD1-CG2 4.06Å; L220-V389 HydrophobicContact CG-CG1 4.48Å; F222-V389 HydrophobicContact CD1-CG2 4.06Å; F222-V389 HydrophobicContact CE1-CG2 3.85Å; V389-I405 HydrophobicContact CB-CD1 3.59Å; V389-I405 HydrophobicContact CG1-CD1 3.41Å; V389-I405 VanDerWaalsContact CG1-CD1 3.41Å; V389-I405 HydrophobicContact CG2-CD1 3.94Å; V389-I405 HydrophobicContact CG2-CG2 4.29Å; V389-Y407 WeakPolarHBondContact CB-OH 3.29Å; V389-Y407 PolarHBondContact N-OH 3.48Å
390N96.1Very high94.2Very high97 Ų9770.2 Ų70.252%0.51935%0.352SS..EExtended strand (participates in β ladder)trans-85-57.9174.5178.426.2000110.2S221 M223 K388S221-N390 PolarHBondContact O-N 2.65Å; M223-N390 HydrophobicContact CG-CB 4.02Å; M223-N390 HydrophobicContact SD-CB 3.77Å; M223-N390 PolarHBondContact SD-OD1 3.5Å; K388-N390 PolarHBondContact O-N 3.27Å
391R95.6Very high94.1Very high143 Ų14368.4 Ų68.454%0.5435%0.345SS..EExtended strand (participates in β ladder)trans-149.1143.6-174.1-163.2171.973.6-1737.1111.9L220 S221 D393L220-R391 WeakPolarHBondContact CA-O 3.35Å; S221-R391 PolarHBondContact N-O 3.16Å; S221-R391 PolarHBondContact O-N 2.79Å; S221-R391 WeakPolarHBondContact OG-CB 3.19Å; S221-R391 PolarHBondContact OG-N 2.84Å; S221-R391 PolarHBondContact OG-O 3.05Å; R391-D393 WeakPolarHBondContact CD-OD1 3.44Å; R391-D393 IonicContact CZ-OD2 2.65Å; R391-D393 IonicContact NE-OD1 3.13Å; R391-D393 PolarHBondContact NE-OD1 3.44Å; R391-D393 IonicContact NE-OD2 3.97Å; R391-D393 PolarHBondContact NE-OD2 3.11Å; R391-D393 IonicContact NH2-OD2 3.52Å; R391-D393 PolarHBondContact NH2-OD2 3.06Å
392L96.7Very high94.3Very high15 Ų1568 Ų688%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-123115.4169.6174.265.7000109.1F181 L218 T219 L220 K403F181-L392 HydrophobicContact CD2-CD2 3.92Å; F181-L392 HydrophobicContact CE2-CD1 4.23Å; F181-L392 HydrophobicContact CE2-CD2 3.34Å; F181-L392 HydrophobicContact CE2-CG 4.43Å; F181-L392 HydrophobicContact CZ-CD1 4.29Å; F181-L392 HydrophobicContact CZ-CD2 4.18Å; L218-L392 HydrophobicContact CB-CD1 4.36Å; T219-L392 CarbonylContact O-C 3.57Å; T219-L392 VanDerWaalsContact O-CA 3.32Å; T219-L392 WeakPolarHBondContact O-CA 3.42Å; L220-L392 HydrophobicContact CB-CD1 4.16Å; L220-L392 HydrophobicContact CD1-CB 4Å; L220-L392 HydrophobicContact CD1-CD1 4.09Å; L392-K403 HydrophobicContact CB-CD 4.35Å; L392-K403 HydrophobicContact CD2-CB 4.11Å; L392-K403 HydrophobicContact CD2-CD 3.88Å; L392-K403 HydrophobicContact CD2-CG 3.86Å; L392-K403 HydrophobicContact CG-CD 4.07Å; L392-K403 PolarHBondContact O-NZ 3.28Å
393D96.2Very high94.4Very high32 Ų3271.6 Ų71.617%0.17136%0.356CS..EExtended strand (participates in β ladder)trans-109.8152.8177.5-58.1-45.2000110.9L218 T219 R391 Y395L218-D393 WeakPolarHBondContact CA-O 3.25Å; T219-D393 PolarHBondContact N-O 2.88Å; T219-D393 PolarHBondContact O-N 2.83Å; R391-D393 WeakPolarHBondContact CD-OD1 3.44Å; R391-D393 IonicContact CZ-OD2 2.65Å; R391-D393 IonicContact NE-OD1 3.13Å; R391-D393 PolarHBondContact NE-OD1 3.44Å; R391-D393 IonicContact NE-OD2 3.97Å; R391-D393 PolarHBondContact NE-OD2 3.11Å; R391-D393 IonicContact NH2-OD2 3.52Å; R391-D393 PolarHBondContact NH2-OD2 3.06Å; D393-Y395 HydrophobicContact CB-CE2 3.69Å
394M96.1Very high94.5Very high29 Ų2971.6 Ų71.614%0.14336%0.357CS..EExtended strand (participates in β ladder)trans-127.8135.3174.5-177.3-17476.800109L212 P216 D217 L218 E397 Y399 P401L212-M394 HydrophobicContact CD1-SD 4.23Å; P216-M394 HydrophobicContact CB-CG 3.9Å; P216-M394 HydrophobicContact CB-SD 3.91Å; D217-M394 CarbonylContact O-C 3.46Å; D217-M394 WeakPolarHBondContact O-CA 3.31Å; L218-M394 HydrophobicContact CD2-CB 3.61Å; L218-M394 HydrophobicContact CD2-CG 3.63Å; M394-E397 HydrophobicContact CE-CB 3.75Å; M394-E397 HydrophobicContact SD-CB 4.29Å; M394-Y399 HydrophobicContact CE-CD2 3.99Å; M394-Y399 HydrophobicContact CE-CE2 3.68Å; M394-Y399 WeakPolarHBondContact CE-O 3.26Å; M394-Y399 HydrophobicContact SD-CE2 3.83Å; M394-P401 HydrophobicContact CE-CG 4.01Å; M394-P401 HydrophobicContact SD-CG 3.73Å
395Y94.9Very high94.7Very high114 Ų11474 Ų7445%0.44737%0.369SS..EExtended strand (participates in β ladder)trans-125.9168.5177.5-51.5-88.2000110D217 D393 E397D217-Y395 PolarHBondContact N-O 3.43Å; D217-Y395 WeakPolarHBondContact O-CD2 3.46Å; D217-Y395 PolarHBondContact O-N 2.72Å; D393-Y395 HydrophobicContact CB-CE2 3.69Å; Y395-E397 PolarHBondContact O-N 3.26Å
396G91.2Very high94.9Very high72 Ų7278.1 Ų78.174%0.74239%0.385SS*.SBendtrans83-25.4178.800000114.7
397E93.9Very high95.3Very high59 Ų5977.8 Ų77.828%0.27637%0.368SS..  trans-119.3145.3-177.8-62.3-61.3157.800112.2G214 M215 P216 M394 Y395 Y399G214-E397 WeakPolarHBondContact CA-OE1 3.33Å; M215-E397 PolarHBondContact N-OE1 3.29Å; P216-E397 HydrophobicContact CB-CG 4.23Å; M394-E397 HydrophobicContact CE-CB 3.75Å; M394-E397 HydrophobicContact SD-CB 4.29Å; Y395-E397 PolarHBondContact O-N 3.26Å; E397-Y399 HydrophobicContact CB-CD1 4.01Å; E397-Y399 HydrophobicContact CB-CE1 3.52Å; E397-Y399 HydrophobicContact CG-CE1 3.83Å
398K92.3Very high95.5Very high217 Ų21779.5 Ų79.594%0.94338%0.377SS*.  trans-87.9-17.8-173.6-67.1-177.8-179.6177.50114.7
399Y94.5Very high95.6Very high54 Ų5473.5 Ų73.521%0.21235%0.351CS..SBendtrans-80.3162.6-178.162.4-98.9000111.4N177 L212 T213 M394 E397 P401N177-Y399 HydrophobicContact CB-CD2 3.64Å; N177-Y399 HydrophobicContact CB-CE2 3.39Å; L212-Y399 WeakPolarHBondContact CB-OH 3.14Å; L212-Y399 HydrophobicContact CD2-CE2 4.09Å; T213-Y399 PolarHBondContact N-OH 3.11Å; T213-Y399 VanDerWaalsContact N-OH 3.1Å; T213-Y399 PolarHBondContact O-OH 2.86Å; M394-Y399 HydrophobicContact CE-CD2 3.99Å; M394-Y399 HydrophobicContact CE-CE2 3.68Å; M394-Y399 WeakPolarHBondContact CE-O 3.26Å; M394-Y399 HydrophobicContact SD-CE2 3.83Å; E397-Y399 HydrophobicContact CB-CD1 4.01Å; E397-Y399 HydrophobicContact CB-CE1 3.52Å; E397-Y399 HydrophobicContact CG-CE1 3.83Å; Y399-P401 HydrophobicContact CD2-CB 4.42Å; Y399-P401 HydrophobicContact CE2-CB 4.08Å; Y399-P401 HydrophobicContact CE2-CG 4.38Å; Y399-P401 WeakPolarHBondContact O-CD 3.16Å
400K94.2Very high95.7Very high206 Ų20676.3 Ų76.390%0.89636%0.362SS*.  trans-103.8107.3174.9-68-177.2-179.5179.10109.6
401P95.6Very high95.8Very high20 Ų2072.3 Ų72.313%0.1334%0.342CS..  trans-76.5154.6178.831-35.4000111.6N177 L212 M394 Y399 K403N177-P401 HydrophobicContact CB-CB 4.23Å; N177-P401 CarbonylContact O-C 3.59Å; N177-P401 VanDerWaalsContact O-CA 3.23Å; N177-P401 WeakPolarHBondContact O-CA 3.49Å; N177-P401 WeakPolarHBondContact O-CB 3.39Å; L212-P401 HydrophobicContact CD2-CB 3.49Å; L212-P401 VanDerWaalsContact CD2-CB 3.49Å; L212-P401 HydrophobicContact CD2-CG 4.2Å; M394-P401 HydrophobicContact CE-CG 4.01Å; M394-P401 HydrophobicContact SD-CG 3.73Å; Y399-P401 HydrophobicContact CD2-CB 4.42Å; Y399-P401 HydrophobicContact CE2-CB 4.08Å; Y399-P401 HydrophobicContact CE2-CG 4.38Å; Y399-P401 WeakPolarHBondContact O-CD 3.16Å; P401-K403 HydrophobicContact CG-CG 4.46Å
402F97.1Very high95.8Very high122 Ų12266.5 Ų66.554%0.53533%0.327SS..EExtended strand (participates in β ladder)trans-68.4137161-175.3-90.8000109.6N177 E178 A179 Y180N177-F402 PolarHBondContact O-N 3.36Å; E178-F402 CarbonylContact C-O 3.18Å; E178-F402 WeakPolarHBondContact CA-O 3.45Å; E178-F402 HydrophobicContact CB-CB 4.21Å; A179-F402 PolarHBondContact N-O 3.25Å; Y180-F402 HydrophobicContact CD1-CE1 4.32Å; Y180-F402 AromaticContact CE1-CD1 3.8Å; Y180-F402 HydrophobicContact CE1-CD1 3.8Å; Y180-F402 AromaticContact CE1-CE1 3.44Å; Y180-F402 HydrophobicContact CE1-CE1 3.44Å; Y180-F402 VanDerWaalsContact CE1-CE1 3.44Å; Y180-F402 AromaticContact CZ-CD1 3.75Å; Y180-F402 AromaticContact CZ-CE1 3.84Å
403K95.8Very high95.7Very high86 Ų8673.8 Ų73.837%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-126115.7-179-64.5172.4-175176.50108.7A179 L392 P401A179-K403 CarbonylContact O-C 3.52Å; A179-K403 WeakPolarHBondContact O-CA 3.48Å; L392-K403 HydrophobicContact CB-CD 4.35Å; L392-K403 HydrophobicContact CD2-CB 4.11Å; L392-K403 HydrophobicContact CD2-CD 3.88Å; L392-K403 HydrophobicContact CD2-CG 3.86Å; L392-K403 HydrophobicContact CG-CD 4.07Å; L392-K403 PolarHBondContact O-NZ 3.28Å; P401-K403 HydrophobicContact CG-CG 4.46Å
404G96.3Very high95.7Very high12 Ų1272.4 Ų72.412%0.12435%0.351CS..EExtended strand (participates in β ladder)trans-115140.7178.500000111.4A179 Y180 F181A179-G404 PolarHBondContact O-N 3.34Å; Y180-G404 CarbonylContact C-O 3.56Å; Y180-G404 VanDerWaalsContact CA-O 3.31Å; Y180-G404 WeakPolarHBondContact CA-O 3.36Å; F181-G404 PolarHBondContact N-O 2.86Å
405I97Very high95.8Very high67 Ų6773.3 Ų73.334%0.34435%0.354SS..EExtended strand (participates in β ladder)trans-134.4129.6172.2-53.2175.9000108.5F181 V183 V389 Y407F181-I405 HydrophobicContact CB-CG1 4.46Å; F181-I405 CarbonylContact O-C 3.56Å; F181-I405 VanDerWaalsContact O-CA 3.25Å; F181-I405 WeakPolarHBondContact O-CA 3.39Å; V183-I405 HydrophobicContact CG2-CG2 4.49Å; V389-I405 HydrophobicContact CB-CD1 3.59Å; V389-I405 HydrophobicContact CG1-CD1 3.41Å; V389-I405 VanDerWaalsContact CG1-CD1 3.41Å; V389-I405 HydrophobicContact CG2-CD1 3.94Å; V389-I405 HydrophobicContact CG2-CG2 4.29Å; I405-Y407 HydrophobicContact CB-CE2 4.49Å; I405-Y407 HydrophobicContact CG2-CD2 4.34Å; I405-Y407 HydrophobicContact CG2-CE2 3.6Å
406K96.9Very high95.9Very high103 Ų10368.1 Ų68.145%0.44833%0.334SS..EExtended strand (participates in β ladder)trans-121.4149.2175.1-168.6179.3173.1-174.60109.6F181 D182 V183F181-K406 PolarHBondContact O-N 3.2Å; D182-K406 VanDerWaalsContact OD1-CB 3.27Å; D182-K406 WeakPolarHBondContact OD1-CB 3.23Å; V183-K406 PolarHBondContact N-O 2.96Å
407Y97.5Very high96.1Very high43 Ų4370.2 Ų70.217%0.16932%0.32CS..EExtended strand (participates in β ladder)trans-122.7138.9174.8-59.3-95.6000108.7V183 Q381 A383 L387 V389 I405V183-Y407 HydrophobicContact CB-CD1 3.62Å; V183-Y407 HydrophobicContact CB-CE1 3.99Å; V183-Y407 HydrophobicContact CB-CG 4.38Å; V183-Y407 HydrophobicContact CG1-CD1 3.96Å; V183-Y407 HydrophobicContact CG1-CE1 4.3Å; V183-Y407 HydrophobicContact CG2-CD1 3.91Å; V183-Y407 HydrophobicContact CG2-CE1 3.74Å; V183-Y407 CarbonylContact O-C 3.52Å; V183-Y407 WeakPolarHBondContact O-CA 3.44Å; Q381-Y407 WeakPolarHBondContact CA-O 3.33Å; Q381-Y407 PolarHBondContact N-O 2.76Å; A383-Y407 HydrophobicContact CB-CD1 3.9Å; L387-Y407 WeakPolarHBondContact O-CE1 3.39Å; V389-Y407 WeakPolarHBondContact CB-OH 3.29Å; V389-Y407 PolarHBondContact N-OH 3.48Å; I405-Y407 HydrophobicContact CB-CE2 4.49Å; I405-Y407 HydrophobicContact CG2-CD2 4.34Å; I405-Y407 HydrophobicContact CG2-CE2 3.6Å
408M97.4Very high95.8Very high40 Ų4068.8 Ų68.820%0.19732%0.315CS..EExtended strand (participates in β ladder)trans-147.5132.5173-178.4176.364.600109.2V183 V184 E185 I379 S382V183-M408 PolarHBondContact O-N 3.38Å; V184-M408 CarbonylContact C-O 3.56Å; V184-M408 WeakPolarHBondContact CA-O 3.16Å; V184-M408 HydrophobicContact CG1-CE 3.74Å; V184-M408 HydrophobicContact CG2-CE 4.05Å; E185-M408 PolarHBondContact N-O 3.2Å; I379-M408 WeakPolarHBondContact O-CA 3.46Å; S382-M408 CarbonylContact O-C 3.55Å; S382-M408 WeakPolarHBondContact O-CA 3.4Å; S382-M408 PolarHBondContact O-N 3.2Å
409T97.3Very high96Very high0 Ų061.4 Ų61.40%028%0.284CS..EExtended strand (participates in β ladder)trans-111.4138.5167.2-50.30000109.3E185 I187 K378 I379 S382 L384E185-T409 HydrophobicContact CB-CG2 4.06Å; E185-T409 CarbonylContact O-C 3.57Å; E185-T409 VanDerWaalsContact O-CA 3.31Å; E185-T409 WeakPolarHBondContact O-CA 3.42Å; I187-T409 HydrophobicContact CG2-CG2 4.28Å; K378-T409 CarbonylContact C-O 3.56Å; K378-T409 WeakPolarHBondContact CA-O 3.43Å; I379-T409 PolarHBondContact N-O 3.35Å; I379-T409 PolarHBondContact O-N 3.41Å; S382-T409 PolarHBondContact O-N 2.92Å; S382-T409 VanDerWaalsContact O-N 3.15Å; S382-T409 PolarHBondContact O-OG1 2.9Å; L384-T409 HydrophobicContact CB-CG2 4.26Å; L384-T409 HydrophobicContact CD1-CG2 3.53Å; L384-T409 HydrophobicContact CG-CG2 3.71Å; L384-T409 PolarHBondContact N-OG1 3.18Å
410K97.4Very high96.1Very high71 Ų7161.7 Ų61.731%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-131.1156.4174.357.7170.6-177.9145.70110E185 E186 I187 F377 K378E185-K410 WeakPolarHBondContact O-CG 3.37Å; E185-K410 PolarHBondContact O-N 2.78Å; E186-K410 WeakPolarHBondContact CA-O 3.32Å; E186-K410 WeakPolarHBondContact OE2-CE 3.43Å; E186-K410 IonicContact OE2-NZ 3.59Å; E186-K410 PolarHBondContact OE2-NZ 2.63Å; I187-K410 PolarHBondContact N-O 3.43Å; F377-K410 VanDerWaalsContact O-CA 3.28Å; F377-K410 WeakPolarHBondContact O-CA 3.4Å; K378-K410 HydrophobicContact CG-CB 4.21Å
411A97.3Very high96.2Very high14 Ų1453.7 Ų53.712%0.11625%0.254CS..EExtended strand (participates in β ladder)trans-68.7137.1170.500000110.8I375 F377 F414I375-A411 VanDerWaalsContact O-CB 3.3Å; I375-A411 WeakPolarHBondContact O-CB 3.38Å; F377-A411 HydrophobicContact CD1-CB 3.73Å; F377-A411 HydrophobicContact CE1-CB 3.66Å; F377-A411 HydrophobicContact CE2-CB 4.46Å; F377-A411 HydrophobicContact CG-CB 4.16Å; F377-A411 HydrophobicContact CZ-CB 4.04Å; F377-A411 PolarHBondContact O-N 3.31Å; A411-F414 HydrophobicContact CB-CB 4.11Å
412G95.8Very high96.2Very high21 Ų2155.7 Ų55.722%0.21626%0.261CS..EExtended strand (participates in β ladder)trans-95-120.4158.800000109.6E186 I187 D188 F414E186-G412 VanDerWaalsContact OE1-CA 3.29Å; E186-G412 WeakPolarHBondContact OE1-CA 3.44Å; I187-G412 PolarHBondContact O-N 3.29Å; D188-G412 VanDerWaalsContact OD1-CA 3.3Å; D188-G412 WeakPolarHBondContact OD1-CA 3.32Å; G412-F414 VanDerWaalsContact C-N 3.3Å; G412-F414 PolarHBondContact O-N 2.88Å
413K94.9Very high96.2Very high168 Ų16851.6 Ų51.673%0.7324%0.244SC*.EExtended strand (participates in β ladder)trans-7875.9169.4-63179.4-176.5174.50110.4D188 A189D188-K413 HydrophobicContact CB-CB 4.45Å; D188-K413 PolarHBondContact OD1-N 2.96Å; A189-K413 PolarHBondContact N-O 3.06Å
414F97.2Very high96.2Very high3 Ų349.3 Ų49.31%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-97.9107.9175.8-162.2-73.9000110.8I187 A189 I191 I272 N374 I375 F377 A411 G412 V416I187-F414 HydrophobicContact CD1-CE2 4.32Å; I187-F414 HydrophobicContact CG2-CD2 4.32Å; A189-F414 HydrophobicContact CB-CD2 3.75Å; A189-F414 HydrophobicContact CB-CE2 3.75Å; A189-F414 HydrophobicContact CB-CG 4.45Å; A189-F414 HydrophobicContact CB-CZ 4.44Å; A189-F414 WeakPolarHBondContact O-CA 3.35Å; I191-F414 HydrophobicContact CG1-CE1 4.22Å; I191-F414 HydrophobicContact CG1-CZ 4.17Å; I272-F414 HydrophobicContact CG2-CE2 4.25Å; I272-F414 HydrophobicContact CG2-CZ 3.83Å; N374-F414 WeakPolarHBondContact CA-O 3.41Å; I375-F414 HydrophobicContact CB-CD1 3.91Å; I375-F414 HydrophobicContact CD1-CD1 3.86Å; I375-F414 HydrophobicContact CD1-CE1 3.78Å; I375-F414 HydrophobicContact CG1-CD1 4.04Å; I375-F414 HydrophobicContact CG1-CE1 4.47Å; I375-F414 PolarHBondContact N-O 3.13Å; I375-F414 WeakPolarHBondContact O-CB 3.37Å; F377-F414 HydrophobicContact CE1-CB 4.48Å; F377-F414 HydrophobicContact CE1-CD1 4.48Å; F377-F414 AromaticContact CE1-CD2 3.77Å; F377-F414 HydrophobicContact CE1-CD2 3.77Å; F377-F414 HydrophobicContact CE1-CE2 4.07Å; F377-F414 AromaticContact CE1-CG 3.99Å; F377-F414 HydrophobicContact CE1-CG 3.99Å; F377-F414 HydrophobicContact CZ-CD2 4.08Å; F377-F414 HydrophobicContact CZ-CE2 4.27Å; A411-F414 HydrophobicContact CB-CB 4.11Å; G412-F414 VanDerWaalsContact C-N 3.3Å; G412-F414 PolarHBondContact O-N 2.88Å; F414-V416 HydrophobicContact CE1-CG2 4.2Å
415Q97.1Very high96.2Very high48 Ų4851.9 Ų51.922%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-121.5140.8-174.4-169.2-176.651.400111.8A189 I190 I191 T372 I373A189-Q415 PolarHBondContact O-N 3Å; I190-Q415 WeakPolarHBondContact CA-O 3.47Å; I191-Q415 PolarHBondContact N-O 3.28Å; T372-Q415 VanDerWaalsContact CB-NE2 3.31Å; T372-Q415 HydrophobicContact CG2-CG 4.4Å; T372-Q415 PolarHBondContact OG1-NE2 2.81Å; T372-Q415 VanDerWaalsContact OG1-NE2 3.09Å; I373-Q415 CarbonylContact O-C 3.56Å; I373-Q415 WeakPolarHBondContact O-CA 3.47Å
416V97Very high96.1Very high4 Ų450.8 Ų50.82%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-119.7121169.9-174.10000108.8I191 V276 I373 I375 F414I191-V416 HydrophobicContact CB-CB 4.45Å; I191-V416 HydrophobicContact CB-CG1 4.29Å; I191-V416 HydrophobicContact CB-CG2 4.09Å; I191-V416 HydrophobicContact CG1-CG2 4.28Å; I191-V416 HydrophobicContact CG2-CG1 4.47Å; I191-V416 WeakPolarHBondContact O-CA 3.43Å; V276-V416 HydrophobicContact CB-CG1 4.21Å; V276-V416 HydrophobicContact CB-CG2 4.26Å; V276-V416 HydrophobicContact CG1-CG1 4.47Å; V276-V416 HydrophobicContact CG2-CG2 3.77Å; I373-V416 HydrophobicContact CB-CB 4.28Å; I373-V416 PolarHBondContact N-O 3.35Å; I373-V416 PolarHBondContact O-N 3.29Å; I375-V416 HydrophobicContact CD1-CG2 3.87Å; F414-V416 HydrophobicContact CE1-CG2 4.2Å
417R94.9Very high96.1Very high116 Ų11646.4 Ų46.444%0.43822%0.218SC..  trans-80.1135.8174-62.1-179.3177.8175.4-0.9108.8I190 I191 D192 K193 T372I190-R417 HydrophobicContact CG2-CG 4.26Å; I191-R417 PolarHBondContact O-N 2.87Å; D192-R417 CarbonylContact C-O 3.55Å; K193-R417 WeakPolarHBondContact CA-O 3.38Å; K193-R417 PolarHBondContact N-O 3.44Å; T372-R417 HydrophobicContact CG2-CG 4.44Å
418T89Confident95.9Very high29 Ų2946.7 Ų46.718%0.17822%0.222CC..  trans-118.30-170.669.50000115.6H278 I280 N370 P371 I373H278-T418 HydrophobicContact CB-CG2 4.25Å; H278-T418 WeakPolarHBondContact CE1-CA 3.33Å; H278-T418 PolarHBondContact CE1-OXT 3.36Å; H278-T418 WeakPolarHBondContact ND1-CB 3.4Å; H278-T418 PolarHBondContact ND1-OXT 3.1Å; I280-T418 HydrophobicContact CD1-CG2 4.2Å; N370-T418 WeakPolarHBondContact CB-O 3.27Å; N370-T418 WeakPolarHBondContact CB-OG1 3.49Å; N370-T418 PolarHBondContact ND2-OXT 3.14Å; P371-T418 PolarHBondContact O-OG1 3.36Å; I373-T418 HydrophobicContact CB-CG2 4.48Å; I373-T418 HydrophobicContact CD1-CG2 3.51Å; I373-T418 HydrophobicContact CG1-CG2 3.65Å

Retrieved 418 of 418 residues in 2529.7 ms (Link to these results)

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