A0A087XKM1_POEFO Loading...

GP1 homolog, RAB6A GEF complex partner 1

AlphaFold DB , UniProt , Accession A0A087XKM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 386 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.2Confident90.4Very high122 Ų12244.5 Ų44.560%0.60125%0.249SC*.  0120.50-175.8-179.2-69.600106.5P29 E40 N385 I386M1-P29 WeakPolarHBondContact O-CD 3.43Å; M1-E40 PolarHBondContact N-OE1 3.32Å; M1-E40 VanDerWaalsContact N-OE1 3.12Å; M1-E40 PolarHBondContact N-OE2 3.5Å; M1-N385 HydrophobicContact CG-CB 4.27Å; M1-N385 HydrophobicContact SD-CB 4.3Å; M1-I386 CarbonylContact C-O 3.45Å; M1-I386 WeakPolarHBondContact CA-O 3.17Å
2I90Very high90.7Very high0 Ų041.3 Ų41.30%023%0.231CC..  trans-111.1137178-69.7169.4000108.2V4 F26 T27 E40 L42 L104 N385 I386I2-V4 HydrophobicContact CG2-CG2 4.29Å; I2-F26 HydrophobicContact CG2-CB 4.28Å; I2-F26 HydrophobicContact CG2-CD1 4.48Å; I2-T27 WeakPolarHBondContact CA-O 3.42Å; I2-E40 HydrophobicContact CD1-CB 3.56Å; I2-E40 HydrophobicContact CG1-CB 3.69Å; I2-E40 HydrophobicContact CG1-CG 4.19Å; I2-L42 HydrophobicContact CD1-CD1 3.74Å; I2-L42 HydrophobicContact CD1-CD2 3.69Å; I2-L42 HydrophobicContact CD1-CG 3.45Å; I2-L42 VanDerWaalsContact CD1-CG 3.45Å; I2-L42 HydrophobicContact CG2-CD1 4.3Å; I2-L104 HydrophobicContact CD1-CD1 4.25Å; I2-L104 HydrophobicContact CG2-CD1 4.29Å; I2-N385 CarbonylContact O-C 3.54Å; I2-N385 WeakPolarHBondContact O-CA 3.38Å; I2-I386 HydrophobicContact CB-CD1 4.16Å; I2-I386 HydrophobicContact CB-CG1 3.7Å; I2-I386 HydrophobicContact CG2-CD1 4.23Å; I2-I386 HydrophobicContact CG2-CG1 4.18Å; I2-I386 PolarHBondContact N-O 3.02Å; I2-I386 WeakPolarHBondContact O-CG1 3.35Å; I2-I386 PolarHBondContact O-N 3.46Å
3E94.1Very high91Very high63 Ų6338.3 Ų38.329%0.29422%0.215SC..EExtended strand (participates in β ladder)trans-89.3128.6169.3-175178.2-163.100109V5 F26 T27E3-V5 HydrophobicContact CG-CG2 3.96Å; E3-F26 CarbonylContact O-C 3.44Å; E3-F26 WeakPolarHBondContact O-CA 3.49Å; E3-T27 PolarHBondContact N-O 2.6Å; E3-T27 PolarHBondContact O-N 2.86Å
4V96Very high91.3Very high0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans-113.2123.4173.5-171.60000108.4I2 I24 T25 F26 L151 S383 I384 I386I2-V4 HydrophobicContact CG2-CG2 4.29Å; V4-I24 HydrophobicContact CG1-CG2 4.06Å; V4-T25 CarbonylContact C-O 3.44Å; V4-T25 WeakPolarHBondContact CA-O 3.25Å; V4-F26 HydrophobicContact CB-CD1 4.32Å; V4-F26 HydrophobicContact CB-CE1 4.34Å; V4-F26 HydrophobicContact CG1-CD1 3.99Å; V4-F26 HydrophobicContact CG1-CE1 3.67Å; V4-F26 HydrophobicContact CG1-CZ 4.01Å; V4-F26 HydrophobicContact CG2-CD1 3.55Å; V4-F26 HydrophobicContact CG2-CE1 3.69Å; V4-L151 HydrophobicContact CB-CD2 4.43Å; V4-L151 HydrophobicContact CG1-CD2 3.94Å; V4-S383 CarbonylContact O-C 3.57Å; V4-S383 WeakPolarHBondContact O-CA 3.43Å; V4-S383 WeakPolarHBondContact O-CB 3.18Å; V4-I384 HydrophobicContact CB-CG2 4.01Å; V4-I384 PolarHBondContact N-O 2.86Å; V4-I384 PolarHBondContact O-N 2.73Å; V4-I386 HydrophobicContact CG2-CD1 3.55Å; V4-I386 HydrophobicContact CG2-CG1 4.05Å; V4-I386 HydrophobicContact CG2-CG2 4.3Å
5V96.5Very high91.4Very high38 Ų3834 Ų3423%0.2319%0.19CC..EExtended strand (participates in β ladder)trans-121.7125.4178.6-173.70000108.6E3 I24 T25 T381E3-V5 HydrophobicContact CG-CG2 3.96Å; V5-I24 CarbonylContact O-C 3.53Å; V5-I24 WeakPolarHBondContact O-CA 3.49Å; V5-T25 PolarHBondContact N-O 3.03Å; V5-T25 PolarHBondContact O-N 2.91Å; V5-T381 HydrophobicContact CG1-CG2 3.93Å
6A96.4Very high91.5Very high0 Ų033.6 Ų33.60%019%0.192CC..EExtended strand (participates in β ladder)trans-114.3129.9173.500000109.1L23 I24 I139 L151 V153 T381 N382A6-L23 CarbonylContact C-O 3.47Å; A6-L23 WeakPolarHBondContact CA-O 3.28Å; A6-I24 HydrophobicContact CB-CG1 4.25Å; A6-I139 HydrophobicContact CB-CD1 3.77Å; A6-L151 HydrophobicContact CB-CD2 3.64Å; A6-V153 HydrophobicContact CB-CG2 3.63Å; A6-T381 CarbonylContact O-C 3.58Å; A6-T381 WeakPolarHBondContact O-CA 3.45Å; A6-N382 PolarHBondContact N-O 3.13Å; A6-N382 PolarHBondContact O-N 3.03Å
7S94.5Very high91.4Very high43 Ų4332.8 Ų32.830%0.30119%0.194SC..EExtended strand (participates in β ladder)trans-133.6128.3-176-178.10000111C22 L23 G380 T381S7-C22 CarbonylContact O-C 3.58Å; S7-C22 WeakPolarHBondContact O-CA 3.46Å; S7-C22 PolarHBondContact O-SG 3.26Å; S7-C22 VanDerWaalsContact O-SG 3.35Å; S7-L23 PolarHBondContact N-O 3.31Å; S7-L23 PolarHBondContact O-N 2.9Å; S7-G380 WeakPolarHBondContact CA-O 3.1Å; S7-T381 PolarHBondContact OG-OG1 3.2Å
8M92.4Very high91.3Very high10 Ų1031.6 Ų31.65%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-89.7125.6176.1-65.4174.6176.900110.5R10 P12 F14 L20 C22 L137 V153 F155 G380M8-R10 PolarHBondContact O-N 3.03Å; M8-P12 HydrophobicContact SD-CB 4.48Å; M8-F14 HydrophobicContact SD-CE2 3.87Å; M8-F14 HydrophobicContact SD-CZ 4.34Å; M8-L20 HydrophobicContact CE-CD1 4.14Å; M8-C22 HydrophobicContact CG-CB 4.47Å; M8-L137 HydrophobicContact CE-CB 4.09Å; M8-L137 HydrophobicContact CE-CD2 4.29Å; M8-V153 HydrophobicContact CE-CB 3.94Å; M8-V153 HydrophobicContact CE-CG1 3.6Å; M8-V153 HydrophobicContact SD-CG1 4.24Å; M8-F155 HydrophobicContact CE-CB 4Å; M8-F155 HydrophobicContact CE-CD1 3.9Å; M8-F155 HydrophobicContact CE-CG 4.23Å; M8-F155 HydrophobicContact SD-CB 4.08Å; M8-G380 PolarHBondContact N-O 3.38Å
9A80.8Confident91.3Very high74 Ų7433.9 Ų33.961%0.61220%0.197SC*.THydrogen-bonded Turntrans-66.8-35.5-170.900000114.3E21A9-E21 PolarHBondContact N-O 2.85Å
10R83.1Confident91.5Very high120 Ų12032.3 Ų32.345%0.45319%0.187SC..THydrogen-bonded Turntrans-105.910.9-173.8-71.6-177.254.7-134.5-17.1114.4M8 E18M8-R10 PolarHBondContact O-N 3.03Å; R10-E18 IonicContact CZ-OE1 2.56Å; R10-E18 IonicContact NH1-OE1 3.57Å; R10-E18 PolarHBondContact NH1-OE1 3.27Å; R10-E18 IonicContact NH2-OE1 3.46Å; R10-E18 PolarHBondContact NH2-OE1 3.4Å
11G89.3Confident91.6Very high19 Ų1934.9 Ų34.920%0.19620%0.198CC..  trans91.3-178.5-173.800000113.4F14G11-F14 VanDerWaalsContact O-CE2 3.31Å; G11-F14 WeakPolarHBondContact O-CE2 3.39Å; G11-F14 VanDerWaalsContact O-CZ 3.28Å; G11-F14 WeakPolarHBondContact O-CZ 3.45Å
12P94.2Very high92.3Very high6 Ų629.1 Ų29.14%0.03917%0.169CC..SBendtrans-98.919.8-166.641.2-41.8000113.6M8 F155 R156 S376 F378M8-P12 HydrophobicContact SD-CB 4.48Å; P12-F155 HydrophobicContact CB-CB 4.48Å; P12-F155 CarbonylContact O-C 3.49Å; P12-F155 VanDerWaalsContact O-CA 3.3Å; P12-F155 WeakPolarHBondContact O-CA 3.42Å; P12-F155 VanDerWaalsContact O-CB 3.28Å; P12-F155 WeakPolarHBondContact O-CB 3.4Å; P12-R156 PolarHBondContact O-N 2.86Å; P12-S376 WeakPolarHBondContact CG-OG 3.3Å; P12-F378 HydrophobicContact CB-CB 3.65Å; P12-F378 HydrophobicContact CG-CB 3.82Å; P12-F378 WeakPolarHBondContact CG-O 2.86Å
13V95.1Very high92.6Very high3 Ų333.3 Ų33.32%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-125.4132.8179.4-170.30000108.8R156 L158 P369 A372 S373V13-R156 CarbonylContact C-O 3.53Å; V13-R156 VanDerWaalsContact CA-O 3.32Å; V13-R156 WeakPolarHBondContact CA-O 2.96Å; V13-R156 HydrophobicContact CB-CB 4.45Å; V13-R156 HydrophobicContact CG1-CB 4.18Å; V13-R156 HydrophobicContact CG1-CG 4.42Å; V13-R156 HydrophobicContact CG2-CB 4.05Å; V13-L158 HydrophobicContact CG1-CD1 4.04Å; V13-L158 HydrophobicContact CG1-CG 4.04Å; V13-P369 HydrophobicContact CB-CB 4.46Å; V13-P369 HydrophobicContact CG1-CB 4.31Å; V13-P369 VanDerWaalsContact O-CB 3.26Å; V13-P369 WeakPolarHBondContact O-CB 3.25Å; V13-A372 HydrophobicContact CB-CB 4.37Å; V13-A372 HydrophobicContact CG1-CB 3.86Å; V13-A372 HydrophobicContact CG2-CB 4.38Å; V13-S373 WeakPolarHBondContact CB-OG 3.48Å; V13-S373 WeakPolarHBondContact CG2-OG 3.49Å; V13-S373 PolarHBondContact N-OG 2.81Å
14F94.2Very high92.8Very high4 Ų430.3 Ų30.32%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-138.3150.9-176.8-62.1-90.3000110.2M8 G11 E18 L20 V118 F155 R156 V157 L158M8-F14 HydrophobicContact SD-CE2 3.87Å; M8-F14 HydrophobicContact SD-CZ 4.34Å; G11-F14 VanDerWaalsContact O-CE2 3.31Å; G11-F14 WeakPolarHBondContact O-CE2 3.39Å; G11-F14 VanDerWaalsContact O-CZ 3.28Å; G11-F14 WeakPolarHBondContact O-CZ 3.45Å; F14-E18 WeakPolarHBondContact CA-OE2 3.42Å; F14-E18 HydrophobicContact CD1-CG 4.25Å; F14-L20 HydrophobicContact CD1-CB 4.38Å; F14-L20 HydrophobicContact CD2-CD1 4.11Å; F14-L20 HydrophobicContact CE1-CB 4.14Å; F14-L20 HydrophobicContact CE1-CG 4.11Å; F14-L20 HydrophobicContact CE2-CD1 3.85Å; F14-L20 HydrophobicContact CE2-CG 4Å; F14-L20 HydrophobicContact CZ-CB 4.32Å; F14-L20 HydrophobicContact CZ-CD1 4.16Å; F14-L20 HydrophobicContact CZ-CG 3.77Å; F14-V118 HydrophobicContact CB-CG2 3.84Å; F14-V118 HydrophobicContact CG-CG2 4.21Å; F14-F155 HydrophobicContact CD2-CB 4.39Å; F14-F155 AromaticContact CD2-CD2 3.77Å; F14-F155 HydrophobicContact CD2-CD2 3.77Å; F14-F155 HydrophobicContact CD2-CE2 4.4Å; F14-F155 HydrophobicContact CD2-CG 4.36Å; F14-F155 HydrophobicContact CE2-CB 4.4Å; F14-F155 HydrophobicContact CE2-CD2 4.41Å; F14-R156 PolarHBondContact N-O 2.85Å; F14-V157 CarbonylContact O-C 3.6Å; F14-V157 WeakPolarHBondContact O-CA 3.38Å; F14-L158 PolarHBondContact O-N 3.05Å
15L93.3Very high92.8Very high8 Ų831.9 Ų31.94%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-80.8148.5162.3-82.4160.7000110G17 E18 L158 L194 P366 P369L15-G17 PolarHBondContact O-N 3.06Å; L15-E18 HydrophobicContact CB-CB 4.41Å; L15-E18 PolarHBondContact N-OE2 2.75Å; L15-E18 WeakPolarHBondContact O-CB 3.43Å; L15-E18 PolarHBondContact O-N 3.2Å; L15-L158 CarbonylContact C-O 3.51Å; L15-L158 WeakPolarHBondContact CA-O 3.29Å; L15-L158 HydrophobicContact CD2-CB 3.72Å; L15-L158 HydrophobicContact CG-CB 4.37Å; L15-L194 HydrophobicContact CB-CD1 4.49Å; L15-L194 HydrophobicContact CD1-CD1 3.41Å; L15-L194 VanDerWaalsContact CD1-CD1 3.41Å; L15-L194 HydrophobicContact CG-CD1 4.45Å; L15-P366 HydrophobicContact CD2-CB 4.16Å; L15-P366 HydrophobicContact CD2-CG 4.24Å; L15-P369 HydrophobicContact CB-CG 4.21Å; L15-P369 HydrophobicContact CD1-CG 3.78Å; L15-P369 HydrophobicContact CG-CG 3.65Å
16A92.6Very high92.8Very high27 Ų2730.1 Ų30.122%0.22318%0.176CC..THydrogen-bonded Turntrans-58.2130.416900000110V157 L158 V159A16-V157 HydrophobicContact CB-CG1 4.15Å; A16-L158 PolarHBondContact N-O 2.81Å; A16-V159 HydrophobicContact CB-CG2 4.02Å
17G89.8Confident92.7Very high21 Ų2131.6 Ų31.622%0.21619%0.185CC..THydrogen-bonded Turntrans86.4-4.3-172.600000115.2L15 V118 V120L15-G17 PolarHBondContact O-N 3.06Å; G17-V118 VanDerWaalsContact CA-O 3.29Å; G17-V118 WeakPolarHBondContact CA-O 3.47Å; G17-V118 PolarHBondContact N-O 3.38Å; G17-V120 VanDerWaalsContact CA-CG1 3.45Å
18E90.8Very high92.6Very high11 Ų1129.6 Ų29.65%0.05117%0.171CC..PPolyproline II helixtrans-77.2148174.6-170.3175.5179.100111.3R10 F14 L15 L20 V118 L194 P369R10-E18 IonicContact CZ-OE1 2.56Å; R10-E18 IonicContact NH1-OE1 3.57Å; R10-E18 PolarHBondContact NH1-OE1 3.27Å; R10-E18 IonicContact NH2-OE1 3.46Å; R10-E18 PolarHBondContact NH2-OE1 3.4Å; F14-E18 WeakPolarHBondContact CA-OE2 3.42Å; F14-E18 HydrophobicContact CD1-CG 4.25Å; L15-E18 HydrophobicContact CB-CB 4.41Å; L15-E18 PolarHBondContact N-OE2 2.75Å; L15-E18 WeakPolarHBondContact O-CB 3.43Å; L15-E18 PolarHBondContact O-N 3.2Å; E18-L20 PolarHBondContact O-N 3.45Å; E18-V118 WeakPolarHBondContact O-CG2 3.25Å; E18-V118 PolarHBondContact O-N 2.84Å; E18-L194 HydrophobicContact CG-CD2 4.44Å; E18-L194 WeakPolarHBondContact OE1-CD2 2.97Å; E18-P369 WeakPolarHBondContact OE2-CG 3.18Å
19L91.5Very high92.4Very high76 Ų7632.6 Ų32.640%0.39819%0.192SC..EExtended strand (participates in β ladder)trans-73.8118.5173.6-171.870.1000110.4E21 L117L19-E21 HydrophobicContact CD2-CG 3.93Å; L19-E21 HydrophobicContact CG-CG 4.03Å; L19-L117 HydrophobicContact CB-CD2 4.11Å; L19-L117 HydrophobicContact CD1-CD2 3.96Å; L19-L117 HydrophobicContact CD1-CG 4.48Å
20L93.6Very high92.6Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-89.4119.4169.7-174.5156.6000108.9M8 F14 E18 C22 I49 Y114 S115 E116 V118 L137 F155M8-L20 HydrophobicContact CE-CD1 4.14Å; F14-L20 HydrophobicContact CD1-CB 4.38Å; F14-L20 HydrophobicContact CD2-CD1 4.11Å; F14-L20 HydrophobicContact CE1-CB 4.14Å; F14-L20 HydrophobicContact CE1-CG 4.11Å; F14-L20 HydrophobicContact CE2-CD1 3.85Å; F14-L20 HydrophobicContact CE2-CG 4Å; F14-L20 HydrophobicContact CZ-CB 4.32Å; F14-L20 HydrophobicContact CZ-CD1 4.16Å; F14-L20 HydrophobicContact CZ-CG 3.77Å; E18-L20 PolarHBondContact O-N 3.45Å; L20-C22 HydrophobicContact CD2-CB 4.05Å; L20-I49 HydrophobicContact CB-CD1 4.4Å; L20-I49 HydrophobicContact CD1-CD1 4.14Å; L20-Y114 HydrophobicContact CD2-CD1 4.16Å; L20-Y114 HydrophobicContact CD2-CE1 4.18Å; L20-S115 VanDerWaalsContact O-CA 3.32Å; L20-S115 WeakPolarHBondContact O-CA 3.28Å; L20-E116 WeakPolarHBondContact CB-O 3.44Å; L20-E116 PolarHBondContact N-O 2.81Å; L20-E116 PolarHBondContact O-N 2.89Å; L20-V118 HydrophobicContact CB-CG2 4.09Å; L20-V118 HydrophobicContact CD1-CG2 4.47Å; L20-L137 HydrophobicContact CD2-CD2 4.08Å; L20-F155 HydrophobicContact CD1-CD1 4.06Å; L20-F155 HydrophobicContact CD1-CD2 4.16Å; L20-F155 HydrophobicContact CD1-CE1 3.82Å; L20-F155 HydrophobicContact CD1-CE2 3.9Å; L20-F155 HydrophobicContact CD1-CG 4.21Å; L20-F155 HydrophobicContact CD1-CZ 3.73Å
21E94.4Very high92.3Very high88 Ų8830.9 Ų30.941%0.41118%0.184SC..EExtended strand (participates in β ladder)trans-112.8127.5173.8-60.5-166.9129.600110.8A9 L19 Y114A9-E21 PolarHBondContact N-O 2.85Å; L19-E21 HydrophobicContact CD2-CG 3.93Å; L19-E21 HydrophobicContact CG-CG 4.03Å; E21-Y114 CarbonylContact C-O 3.56Å; E21-Y114 WeakPolarHBondContact CA-O 3.33Å
22C95.7Very high91.5Very high1 Ų137 Ų371%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-134.4127.4-179.4-174.80000110.9S7 M8 L20 Y114 L137S7-C22 CarbonylContact O-C 3.58Å; S7-C22 WeakPolarHBondContact O-CA 3.46Å; S7-C22 PolarHBondContact O-SG 3.26Å; S7-C22 VanDerWaalsContact O-SG 3.35Å; M8-C22 HydrophobicContact CG-CB 4.47Å; L20-C22 HydrophobicContact CD2-CB 4.05Å; C22-Y114 HydrophobicContact CB-CD1 4.45Å; C22-Y114 PolarHBondContact N-O 2.84Å; C22-Y114 PolarHBondContact O-N 3.39Å; C22-L137 HydrophobicContact CB-CD2 3.58Å
23L96.8Very high90.4Very high88 Ų8844.8 Ų44.846%0.46125%0.248SC..EExtended strand (participates in β ladder)trans-88.9124.5172.1-63.3177.1000109.1A6 S7 T111A6-L23 CarbonylContact C-O 3.47Å; A6-L23 WeakPolarHBondContact CA-O 3.28Å; S7-L23 PolarHBondContact N-O 3.31Å; S7-L23 PolarHBondContact O-N 2.9Å; L23-T111 HydrophobicContact CB-CG2 4.13Å; L23-T111 HydrophobicContact CD2-CG2 4.36Å
24I97.1Very high89.4Confident0 Ų046.6 Ų46.60%026%0.261CS..EExtended strand (participates in β ladder)trans-117.2109.8-177.6-53.6164.9000107.9V4 V5 A6 F26 A47 L98 T111 Y112 I139V4-I24 HydrophobicContact CG1-CG2 4.06Å; V5-I24 CarbonylContact O-C 3.53Å; V5-I24 WeakPolarHBondContact O-CA 3.49Å; A6-I24 HydrophobicContact CB-CG1 4.25Å; I24-F26 HydrophobicContact CB-CE2 4.34Å; I24-F26 HydrophobicContact CG2-CD2 4.28Å; I24-F26 HydrophobicContact CG2-CE2 3.47Å; I24-F26 VanDerWaalsContact CG2-CE2 3.47Å; I24-F26 HydrophobicContact CG2-CZ 3.75Å; I24-A47 HydrophobicContact CD1-CB 4.21Å; I24-L98 HydrophobicContact CB-CD1 4.46Å; I24-L98 HydrophobicContact CD1-CD1 3.59Å; I24-L98 HydrophobicContact CD1-CD2 4.13Å; I24-L98 HydrophobicContact CG2-CD1 4.28Å; I24-T111 CarbonylContact O-C 3.58Å; I24-T111 WeakPolarHBondContact O-CA 3.26Å; I24-Y112 PolarHBondContact N-O 3.3Å; I24-Y112 PolarHBondContact O-N 3.3Å; I24-I139 HydrophobicContact CD1-CG1 3.67Å; I24-I139 HydrophobicContact CG1-CG1 4.23Å; I24-I139 HydrophobicContact CG2-CG1 4.46Å; I24-I139 HydrophobicContact CG2-CG2 4.31Å
25T96.8Very high88.4Confident33 Ų3351.2 Ų51.220%0.20229%0.29CS..EExtended strand (participates in β ladder)trans-104.5128.9-178.7-55.60000110.1V4 V5 K110 T111V4-T25 CarbonylContact C-O 3.44Å; V4-T25 WeakPolarHBondContact CA-O 3.25Å; V5-T25 PolarHBondContact N-O 3.03Å; V5-T25 PolarHBondContact O-N 2.91Å; T25-K110 WeakPolarHBondContact CA-O 3.2Å; T25-T111 WeakPolarHBondContact OG1-CG2 3.27Å; T25-T111 PolarHBondContact OG1-OG1 2.85Å
26F96.7Very high87.3Confident0 Ų054.5 Ų54.50%031%0.313CS..EExtended strand (participates in β ladder)trans-108.3122172.1-61.3-98.7000108I2 E3 V4 I24 L42 A45 L98 F99 L102 L104 S109 K110 Y112 I139 C141I2-F26 HydrophobicContact CG2-CB 4.28Å; I2-F26 HydrophobicContact CG2-CD1 4.48Å; E3-F26 CarbonylContact O-C 3.44Å; E3-F26 WeakPolarHBondContact O-CA 3.49Å; V4-F26 HydrophobicContact CB-CD1 4.32Å; V4-F26 HydrophobicContact CB-CE1 4.34Å; V4-F26 HydrophobicContact CG1-CD1 3.99Å; V4-F26 HydrophobicContact CG1-CE1 3.67Å; V4-F26 HydrophobicContact CG1-CZ 4.01Å; V4-F26 HydrophobicContact CG2-CD1 3.55Å; V4-F26 HydrophobicContact CG2-CE1 3.69Å; I24-F26 HydrophobicContact CB-CE2 4.34Å; I24-F26 HydrophobicContact CG2-CD2 4.28Å; I24-F26 HydrophobicContact CG2-CE2 3.47Å; I24-F26 VanDerWaalsContact CG2-CE2 3.47Å; I24-F26 HydrophobicContact CG2-CZ 3.75Å; F26-L42 HydrophobicContact CD1-CD1 3.49Å; F26-L42 VanDerWaalsContact CD1-CD1 3.49Å; F26-L42 HydrophobicContact CE1-CD1 4.03Å; F26-L42 HydrophobicContact CG-CD1 4.26Å; F26-A45 HydrophobicContact CE1-CB 4.04Å; F26-A45 HydrophobicContact CZ-CB 3.63Å; F26-L98 HydrophobicContact CE2-CD1 4.24Å; F26-L98 HydrophobicContact CZ-CD1 4.2Å; F26-F99 HydrophobicContact CD1-CE1 4.35Å; F26-F99 HydrophobicContact CD1-CZ 4.35Å; F26-F99 AromaticContact CD2-CE1 3.94Å; F26-F99 HydrophobicContact CD2-CE1 3.94Å; F26-F99 HydrophobicContact CE1-CE1 4.06Å; F26-F99 HydrophobicContact CE1-CZ 4.09Å; F26-F99 AromaticContact CE2-CE1 3.63Å; F26-F99 HydrophobicContact CE2-CE1 3.63Å; F26-F99 HydrophobicContact CE2-CZ 4.45Å; F26-F99 HydrophobicContact CG-CE1 4.3Å; F26-F99 AromaticContact CZ-CE1 3.7Å; F26-F99 HydrophobicContact CZ-CE1 3.7Å; F26-F99 HydrophobicContact CZ-CZ 4.15Å; F26-L102 HydrophobicContact CB-CD2 4.26Å; F26-L102 HydrophobicContact CG-CD2 4.43Å; F26-L104 HydrophobicContact CB-CD1 3.84Å; F26-S109 CarbonylContact O-C 3.28Å; F26-S109 WeakPolarHBondContact O-CA 3.46Å; F26-K110 PolarHBondContact N-O 2.91Å; F26-K110 PolarHBondContact O-N 2.88Å; F26-Y112 AromaticContact CD2-CD2 3.97Å; F26-Y112 HydrophobicContact CD2-CD2 3.97Å; F26-Y112 HydrophobicContact CD2-CE2 4.24Å; F26-Y112 HydrophobicContact CE2-CD2 4.04Å; F26-I139 HydrophobicContact CZ-CG2 4.47Å; F26-C141 HydrophobicContact CE1-CB 4.3Å
27T94.4Very high86.3Confident32 Ų3257.7 Ų57.720%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-126.2132.1-174.9-57.40000110.3I2 E3 P29 S109I2-T27 WeakPolarHBondContact CA-O 3.42Å; E3-T27 PolarHBondContact N-O 2.6Å; E3-T27 PolarHBondContact O-N 2.86Å; T27-P29 VanDerWaalsContact O-CD 3.31Å; T27-P29 WeakPolarHBondContact O-CD 3.25Å; T27-S109 WeakPolarHBondContact OG1-CB 3.07Å
28N92.9Very high85.8Confident1 Ų158 Ų581%0.00534%0.338CS..  trans-85.2106.7164.1-174.9-15.7000108.3M30 S38 L104 D105 G107 E108N28-M30 PolarHBondContact O-N 3.21Å; N28-M30 VanDerWaalsContact O-N 3.11Å; N28-M30 VanDerWaalsContact OD1-CB 3.25Å; N28-M30 WeakPolarHBondContact OD1-CB 3.45Å; N28-M30 PolarHBondContact OD1-N 2.98Å; N28-S38 PolarHBondContact ND2-O 2.65Å; N28-L104 HydrophobicContact CB-CB 4.06Å; N28-L104 PolarHBondContact ND2-O 2.81Å; N28-L104 VanDerWaalsContact ND2-O 3.16Å; N28-D105 VanDerWaalsContact CB-O 3.31Å; N28-D105 WeakPolarHBondContact CB-O 3.27Å; N28-D105 PolarHBondContact ND2-O 3.27Å; N28-G107 WeakPolarHBondContact O-CA 3.26Å; N28-G107 PolarHBondContact O-N 3.29Å; N28-E108 PolarHBondContact N-O 2.78Å
29P87.9Confident85.5Confident73 Ų7358.8 Ų58.847%0.47435%0.345SS..  trans-74.8-0.9-172.333.7-36.5000113.2M1 T27M1-P29 WeakPolarHBondContact O-CD 3.43Å; T27-P29 VanDerWaalsContact O-CD 3.31Å; T27-P29 WeakPolarHBondContact O-CD 3.25Å
30M84.8Confident85.4Confident90 Ų9056.6 Ų56.644%0.44333%0.333SS..SBendtrans-68.6143.2-180-156.1140.6-7200110.5N28 H32 S34 P106 G107N28-M30 PolarHBondContact O-N 3.21Å; N28-M30 VanDerWaalsContact O-N 3.11Å; N28-M30 VanDerWaalsContact OD1-CB 3.25Å; N28-M30 WeakPolarHBondContact OD1-CB 3.45Å; N28-M30 PolarHBondContact OD1-N 2.98Å; M30-H32 PolarHBondContact O-N 3.1Å; M30-S34 WeakPolarHBondContact CG-OG 3.45Å; M30-P106 HydrophobicContact CB-CB 4.15Å; M30-P106 CarbonylContact O-C 3.54Å; M30-G107 WeakPolarHBondContact O-CA 3.21Å; M30-G107 PolarHBondContact O-N 3.01Å
31S77.1Confident85.2Confident67 Ų6760.9 Ų60.947%0.46935%0.354SS..  trans-58.2140.3-177.61760000111.6L33 S34 P106S31-L33 PolarHBondContact O-N 3.19Å; S31-L33 PolarHBondContact OG-N 3.26Å; S31-S34 WeakPolarHBondContact O-CB 3.37Å; S31-S34 PolarHBondContact O-N 2.83Å; S31-S34 PolarHBondContact O-OG 2.78Å; S31-P106 WeakPolarHBondContact O-CB 3.14Å
32H71.5Confident85.1Confident149 Ų14956.7 Ų56.769%0.6934%0.335SS*.THydrogen-bonded Turntrans-57.1-16.5172.8-69.9-72.3000113.9M30 S34 P106 G107M30-H32 PolarHBondContact O-N 3.1Å; H32-S34 PolarHBondContact O-N 3.06Å; H32-P106 PolarHBondContact ND1-O 3.24Å; H32-G107 WeakPolarHBondContact CE1-CA 3.39Å; H32-G107 PolarHBondContact CE1-O 3.5Å
33L71.4Confident84.9Confident168 Ų16857.8 Ų57.888%0.8834%0.344SS*.THydrogen-bonded Turntrans-77.2-7.1173.7-62.3171.2000112.9S31S31-L33 PolarHBondContact O-N 3.19Å; S31-L33 PolarHBondContact OG-N 3.26Å
34S73.3Confident84.7Confident42 Ų4255.3 Ų55.329%0.29433%0.328SS..SBendtrans-82.1146.3179.2-42.50000110.5M30 S31 H32M30-S34 WeakPolarHBondContact CG-OG 3.45Å; S31-S34 WeakPolarHBondContact O-CB 3.37Å; S31-S34 PolarHBondContact O-N 2.83Å; S31-S34 PolarHBondContact O-OG 2.78Å; H32-S34 PolarHBondContact O-N 3.06Å
35T75.1Confident84.7Confident101 Ų10155.3 Ų55.362%0.6233%0.328SS*.  trans-69.1154.9-177.660.50000112.5A37 S38T35-A37 PolarHBondContact O-N 2.74Å; T35-S38 PolarHBondContact O-N 2.97Å; T35-S38 PolarHBondContact O-OG 2.84Å
36S69.6Low84.6Confident76 Ų7654.2 Ų54.253%0.53132%0.322SS..G310 helixtrans-60-1.3172.6-46.30000115.2S38 S39S36-S38 VanDerWaalsContact C-N 3.25Å; S36-S39 PolarHBondContact O-OG 2.8Å
37A71.4Confident84.6Confident95 Ų9554.2 Ų54.279%0.78532%0.322SS*.G310 helixtrans-72.4-17.9167.600000112.9T35 S39T35-A37 PolarHBondContact O-N 2.74Å; A37-S39 VanDerWaalsContact C-N 3.34Å
38S78.8Confident84.6Confident27 Ų2753 Ų5319%0.18931%0.314CS..G310 helixtrans-97.523.2173.459.30000112.9N28 T35 S36 P106N28-S38 PolarHBondContact ND2-O 2.65Å; T35-S38 PolarHBondContact O-N 2.97Å; T35-S38 PolarHBondContact O-OG 2.84Å; S36-S38 VanDerWaalsContact C-N 3.25Å; S38-P106 WeakPolarHBondContact OG-CG 3.44Å
39S85Confident84.7Confident28 Ų2852.9 Ų52.920%0.19631%0.313CS..  trans-64.9141.7167.2-52.10000109.7S36 A37 R103 L104 D105S36-S39 PolarHBondContact O-OG 2.8Å; A37-S39 VanDerWaalsContact C-N 3.34Å; S39-R103 PolarHBondContact OG-NE 3.15Å; S39-R103 PolarHBondContact OG-NH2 2.77Å; S39-L104 WeakPolarHBondContact CA-O 3.35Å; S39-D105 WeakPolarHBondContact CB-OD1 3.44Å; S39-D105 PolarHBondContact OG-OD1 2.9Å
40E88.5Confident85.1Confident29 Ų2949.4 Ų49.414%0.13629%0.291CS..EExtended strand (participates in β ladder)trans-111.6146.1-179.4-68.5-89140.700109.5M1 I2 R103 L104 R143M1-E40 PolarHBondContact N-OE1 3.32Å; M1-E40 VanDerWaalsContact N-OE1 3.12Å; M1-E40 PolarHBondContact N-OE2 3.5Å; I2-E40 HydrophobicContact CD1-CB 3.56Å; I2-E40 HydrophobicContact CG1-CB 3.69Å; I2-E40 HydrophobicContact CG1-CG 4.19Å; E40-R103 WeakPolarHBondContact O-CA 3.41Å; E40-L104 PolarHBondContact N-O 3.41Å; E40-L104 PolarHBondContact O-N 2.93Å; E40-R143 IonicContact OE1-CZ 3.71Å; E40-R143 IonicContact OE1-NH1 2.73Å; E40-R143 PolarHBondContact OE1-NH1 3.03Å; E40-R143 IonicContact OE2-CZ 3.96Å; E40-R143 IonicContact OE2-NH1 3.09Å; E40-R143 PolarHBondContact OE2-NH1 2.9Å
41M90.3Very high85.6Confident91 Ų9145.1 Ų45.145%0.44827%0.27SS..EExtended strand (participates in β ladder)trans-126.1122.6-176.7-169.6175.1-78.300111.2L102 R143 V144M41-L102 WeakPolarHBondContact CA-O 3.34Å; M41-R143 WeakPolarHBondContact O-CG 3.36Å; M41-V144 HydrophobicContact CB-CG2 3.98Å; M41-V144 HydrophobicContact CG-CG2 3.67Å; M41-V144 PolarHBondContact O-N 2.78Å; M41-V144 HydrophobicContact SD-CG2 3.93Å
42L91.8Very high86.4Confident0 Ų042 Ų420%025%0.248CC..EExtended strand (participates in β ladder)trans-99.7126.8170.3-63173.6000108.8I2 F26 F99 D101 L102 Q142 R143 I386I2-L42 HydrophobicContact CD1-CD1 3.74Å; I2-L42 HydrophobicContact CD1-CD2 3.69Å; I2-L42 HydrophobicContact CD1-CG 3.45Å; I2-L42 VanDerWaalsContact CD1-CG 3.45Å; I2-L42 HydrophobicContact CG2-CD1 4.3Å; F26-L42 HydrophobicContact CD1-CD1 3.49Å; F26-L42 VanDerWaalsContact CD1-CD1 3.49Å; F26-L42 HydrophobicContact CE1-CD1 4.03Å; F26-L42 HydrophobicContact CG-CD1 4.26Å; L42-F99 HydrophobicContact CB-CE2 3.65Å; L42-F99 HydrophobicContact CB-CZ 3.91Å; L42-F99 HydrophobicContact CD1-CE2 4.32Å; L42-F99 HydrophobicContact CD1-CZ 3.7Å; L42-F99 HydrophobicContact CG-CZ 4.46Å; L42-D101 CarbonylContact O-C 3.54Å; L42-D101 VanDerWaalsContact O-CA 3.3Å; L42-D101 WeakPolarHBondContact O-CA 3.42Å; L42-L102 HydrophobicContact CB-CB 4.37Å; L42-L102 HydrophobicContact CD1-CD2 4.45Å; L42-L102 PolarHBondContact N-O 2.98Å; L42-L102 PolarHBondContact O-N 3.11Å; L42-Q142 CarbonylContact C-O 3.58Å; L42-Q142 WeakPolarHBondContact CA-O 3.37Å; L42-R143 HydrophobicContact CD2-CB 4.06Å; L42-I386 HydrophobicContact CD1-CD1 4.23Å; L42-I386 HydrophobicContact CD2-CD1 3.41Å; L42-I386 VanDerWaalsContact CD2-CD1 3.41Å; L42-I386 HydrophobicContact CD2-CG1 4.34Å; L42-I386 HydrophobicContact CG-CD1 4.47Å
43A91.7Very high87.4Confident24 Ų2435 Ų3520%0.19822%0.215CC..EExtended strand (participates in β ladder)trans-69.3-40.6177.600000111.1D101 Q142 V144A43-D101 PolarHBondContact O-N 2.76Å; A43-Q142 PolarHBondContact N-O 3.2Å; A43-V144 HydrophobicContact CB-CG2 4.23Å
44W93.5Very high88.5Confident36 Ų3629.8 Ų29.814%0.13619%0.186CC..EExtended strand (participates in β ladder)trans-163.8161.3177.657.1-90.1000111.3S46 T77 L79 F99 G140 C141 Q142 I148W44-S46 VanDerWaalsContact CZ3-OG 3.28Å; W44-S46 WeakPolarHBondContact CZ3-OG 3.35Å; W44-T77 WeakPolarHBondContact CZ2-O 3.19Å; W44-L79 HydrophobicContact CH2-CB 4.14Å; W44-L79 HydrophobicContact CH2-CD1 4.27Å; W44-L79 HydrophobicContact CZ3-CB 4.21Å; W44-L79 HydrophobicContact CZ3-CD1 4.29Å; W44-F99 WeakPolarHBondContact CA-O 3.41Å; W44-G140 WeakPolarHBondContact CZ3-O 3.36Å; W44-C141 WeakPolarHBondContact O-CA 3.39Å; W44-Q142 HydrophobicContact CD2-CB 4.29Å; W44-Q142 HydrophobicContact CZ2-CB 3.95Å; W44-Q142 PolarHBondContact O-N 2.96Å; W44-Q142 VanDerWaalsContact O-N 3.08Å; W44-I148 HydrophobicContact CH2-CD1 3.9Å; W44-I148 HydrophobicContact CH2-CG1 4.13Å; W44-I148 HydrophobicContact CH2-CG2 3.97Å; W44-I148 HydrophobicContact CZ2-CD1 3.6Å; W44-I148 HydrophobicContact CZ2-CG1 3.71Å; W44-I148 HydrophobicContact CZ2-CG2 4.38Å
45A95.5Very high89.4Confident0 Ų029.2 Ų29.20%018%0.184CC..EExtended strand (participates in β ladder)trans-139.7143.5161.300000110.2F26 L98 F99 G140 C141F26-A45 HydrophobicContact CE1-CB 4.04Å; F26-A45 HydrophobicContact CZ-CB 3.63Å; A45-L98 HydrophobicContact CB-CB 4.34Å; A45-L98 HydrophobicContact CB-CD1 4.12Å; A45-L98 PolarHBondContact O-N 3.39Å; A45-F99 HydrophobicContact CB-CD1 4.18Å; A45-F99 HydrophobicContact CB-CE1 3.49Å; A45-F99 VanDerWaalsContact CB-CE1 3.49Å; A45-F99 HydrophobicContact CB-CE2 4Å; A45-F99 HydrophobicContact CB-CZ 3.37Å; A45-F99 PolarHBondContact N-O 2.8Å; A45-G140 CarbonylContact C-O 3.36Å; A45-G140 VanDerWaalsContact CA-O 3.28Å; A45-G140 WeakPolarHBondContact CA-O 3.29Å; A45-C141 HydrophobicContact CB-CB 4.01Å
46S95.3Very high90.2Very high9 Ų926 Ų266%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-144.3150.3175.855.90000110.5W44 L79 K96 I139 G140W44-S46 VanDerWaalsContact CZ3-OG 3.28Å; W44-S46 WeakPolarHBondContact CZ3-OG 3.35Å; S46-L79 WeakPolarHBondContact OG-CD2 3.32Å; S46-K96 CarbonylContact C-O 3.59Å; S46-K96 WeakPolarHBondContact CA-O 3.32Å; S46-K96 VanDerWaalsContact CB-O 3.32Å; S46-K96 WeakPolarHBondContact CB-O 3.36Å; S46-I139 CarbonylContact O-C 3.59Å; S46-I139 WeakPolarHBondContact O-CA 3.48Å; S46-G140 PolarHBondContact N-O 2.86Å; S46-G140 PolarHBondContact O-N 2.84Å
47A96.3Very high91.1Very high0 Ų030 Ų300%018%0.176CC..EExtended strand (participates in β ladder)trans-126.4145.9-177.300000111.1I24 K96 L98 Y114 L137 T138 I139I24-A47 HydrophobicContact CD1-CB 4.21Å; A47-K96 PolarHBondContact N-O 3.36Å; A47-K96 PolarHBondContact O-N 2.81Å; A47-L98 HydrophobicContact CB-CD1 4.48Å; A47-Y114 HydrophobicContact CB-CD2 3.54Å; A47-Y114 HydrophobicContact CB-CE2 3.67Å; A47-Y114 HydrophobicContact CB-CG 4.17Å; A47-L137 HydrophobicContact CB-CD1 4.24Å; A47-T138 VanDerWaalsContact CA-O 3.29Å; A47-T138 WeakPolarHBondContact CA-O 3.45Å; A47-I139 HydrophobicContact CB-CG1 4.1Å
48Q95.1Very high91.9Very high6 Ų632 Ų323%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-153.7151.5175.968.8-167.6-3700111.9L79 P81 P95 T138Q48-L79 HydrophobicContact CG-CD2 4.08Å; Q48-P81 VanDerWaalsContact CD-CG 3.43Å; Q48-P81 HydrophobicContact CG-CB 3.79Å; Q48-P81 HydrophobicContact CG-CG 4.11Å; Q48-P95 HydrophobicContact CB-CB 4.31Å; Q48-T138 PolarHBondContact N-O 2.81Å; Q48-T138 PolarHBondContact O-N 3.07Å
49I95.9Very high92.4Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-92.4138.1172.8-66.7167.7000108.7L20 D92 T93 Y114 E116 Y135 K136 L137 F155L20-I49 HydrophobicContact CB-CD1 4.4Å; L20-I49 HydrophobicContact CD1-CD1 4.14Å; I49-D92 CarbonylContact O-C 3.56Å; I49-D92 WeakPolarHBondContact O-CA 3.47Å; I49-T93 HydrophobicContact CB-CG2 3.86Å; I49-T93 HydrophobicContact CG2-CG2 4.41Å; I49-T93 PolarHBondContact N-OG1 2.85Å; I49-T93 PolarHBondContact O-N 3.32Å; I49-T93 PolarHBondContact O-OG1 3.03Å; I49-Y114 HydrophobicContact CD1-CE1 4.36Å; I49-Y114 HydrophobicContact CG1-CE1 4.36Å; I49-E116 HydrophobicContact CD1-CB 3.95Å; I49-E116 HydrophobicContact CD1-CG 3.95Å; I49-Y135 HydrophobicContact CG2-CD1 4.45Å; I49-K136 WeakPolarHBondContact CA-O 3.24Å; I49-L137 HydrophobicContact CG1-CD1 4.13Å; I49-F155 HydrophobicContact CD1-CZ 4.41Å; I49-F155 HydrophobicContact CG1-CE1 4.39Å; I49-F155 HydrophobicContact CG1-CZ 4.31Å; I49-F155 HydrophobicContact CG2-CE1 4.11Å; I49-F155 HydrophobicContact CG2-CZ 3.66Å
50H94.8Very high92.6Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-145.7156.2172.774.5-81.8000112.4Q52 P81 E85 L91 D92 Y135 K136 T138H50-Q52 PolarHBondContact CD2-NE2 2.98Å; H50-Q52 PolarHBondContact NE2-NE2 3.48Å; H50-P81 HydrophobicContact CB-CB 4.4Å; H50-P81 HydrophobicContact CB-CG 4.45Å; H50-E85 IonicContact CD2-OE2 2.8Å; H50-E85 IonicContact CE1-OE2 3.12Å; H50-E85 IonicContact NE2-OE2 3.45Å; H50-E85 PolarHBondContact NE2-OE2 3.01Å; H50-L91 CarbonylContact C-O 3.52Å; H50-L91 VanDerWaalsContact CA-O 3.25Å; H50-L91 WeakPolarHBondContact CA-O 3.26Å; H50-D92 HydrophobicContact CB-CB 4.03Å; H50-Y135 WeakPolarHBondContact O-CA 3.45Å; H50-K136 PolarHBondContact N-O 2.99Å; H50-K136 PolarHBondContact ND1-O 2.99Å; H50-K136 PolarHBondContact O-N 3.41Å; H50-T138 PolarHBondContact CE1-OG1 2.86Å; H50-T138 PolarHBondContact ND1-OG1 3.45Å; H50-T138 VanDerWaalsContact ND1-OG1 3.12Å
51C95.2Very high92.7Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-115.5117.4176.4-173.70000110.5V90 L91 V134 Y135C51-V90 HydrophobicContact CB-CG2 4.1Å; C51-V90 WeakPolarHBondContact O-CG2 3.48Å; C51-V90 PolarHBondContact O-N 3.48Å; C51-L91 HydrophobicContact CB-CB 3.96Å; C51-L91 PolarHBondContact N-O 3.1Å; C51-V134 WeakPolarHBondContact CA-O 3.49Å; C51-Y135 HydrophobicContact CB-CD1 3.89Å; C51-Y135 HydrophobicContact CB-CD2 4.36Å; C51-Y135 HydrophobicContact CB-CE1 3.58Å; C51-Y135 HydrophobicContact CB-CE2 4.1Å; C51-Y135 HydrophobicContact CB-CG 4.28Å; C51-Y135 WeakPolarHBondContact SG-CE2 3.29Å; C51-Y135 VanDerWaalsContact SG-CZ 3.53Å
52Q94.1Very high92.6Very high1 Ų131.7 Ų31.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-90.1126.6173-67.8-61.6-21.600110.8H50 E85 Q88 Y133 V134H50-Q52 PolarHBondContact CD2-NE2 2.98Å; H50-Q52 PolarHBondContact NE2-NE2 3.48Å; Q52-E85 VanDerWaalsContact CG-OE2 3.29Å; Q52-E85 WeakPolarHBondContact CG-OE2 3.41Å; Q52-E85 PolarHBondContact NE2-OE2 3.18Å; Q52-Q88 PolarHBondContact OE1-O 2.87Å; Q52-Y133 CarbonylContact O-C 3.58Å; Q52-Y133 WeakPolarHBondContact O-CA 3.39Å; Q52-V134 HydrophobicContact CB-CB 4.5Å; Q52-V134 PolarHBondContact N-O 2.78Å; Q52-V134 PolarHBondContact O-N 2.89Å
53F93.6Very high91.9Very high3 Ų335.8 Ų35.81%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-103.4131.4173.3171.3-118.1000110.8A55 L62 G87 Q88 V90 V131 K132 Y133 I312F53-A55 HydrophobicContact CE1-CB 3.98Å; F53-A55 HydrophobicContact CZ-CB 3.72Å; F53-L62 HydrophobicContact CE1-CD1 3.8Å; F53-L62 HydrophobicContact CE1-CD2 4.21Å; F53-L62 HydrophobicContact CZ-CD1 4.5Å; F53-L62 HydrophobicContact CZ-CD2 4.42Å; F53-G87 CarbonylContact O-C 3.6Å; F53-G87 VanDerWaalsContact O-CA 3.25Å; F53-G87 WeakPolarHBondContact O-CA 3.34Å; F53-Q88 WeakPolarHBondContact CB-O 3.41Å; F53-Q88 HydrophobicContact CD1-CB 4.37Å; F53-Q88 PolarHBondContact N-O 3.47Å; F53-Q88 PolarHBondContact O-N 3.43Å; F53-V90 HydrophobicContact CB-CB 4.22Å; F53-V90 HydrophobicContact CB-CG1 3.36Å; F53-V90 HydrophobicContact CB-CG2 3.8Å; F53-V90 HydrophobicContact CD1-CG1 4.06Å; F53-V90 HydrophobicContact CG-CG1 3.95Å; F53-V131 HydrophobicContact CE2-CB 3.72Å; F53-V131 HydrophobicContact CE2-CG1 3.61Å; F53-V131 HydrophobicContact CZ-CG1 3.95Å; F53-K132 CarbonylContact C-O 3.57Å; F53-K132 WeakPolarHBondContact CA-O 3.5Å; F53-Y133 HydrophobicContact CB-CD1 4.22Å; F53-Y133 HydrophobicContact CB-CE1 4.2Å; F53-Y133 AromaticContact CD2-CD1 3.71Å; F53-Y133 HydrophobicContact CD2-CD1 3.71Å; F53-Y133 AromaticContact CD2-CE1 3.19Å; F53-Y133 HydrophobicContact CD2-CE1 3.19Å; F53-Y133 HydrophobicContact CD2-CE2 4.42Å; F53-Y133 AromaticContact CD2-CZ 3.6Å; F53-Y133 AromaticContact CE2-CE1 3.77Å; F53-Y133 HydrophobicContact CE2-CE1 3.77Å; F53-Y133 HydrophobicContact CE2-CE2 4.46Å; F53-Y133 AromaticContact CE2-CZ 3.68Å; F53-Y133 HydrophobicContact CG-CD1 4.4Å; F53-Y133 AromaticContact CG-CE1 3.98Å; F53-Y133 HydrophobicContact CG-CE1 3.98Å; F53-I312 HydrophobicContact CE1-CD1 3.68Å; F53-I312 HydrophobicContact CE2-CD1 4Å; F53-I312 HydrophobicContact CZ-CD1 3.28Å
54H93.8Very high90.7Very high57 Ų5739.5 Ų39.526%0.26423%0.225SC..EExtended strand (participates in β ladder)trans-123.6133.6169.4-53.9-105.5000109.4R86 V131 K132H54-R86 PolarHBondContact CE1-O 3.11Å; H54-R86 PolarHBondContact ND1-O 3.33Å; H54-V131 CarbonylContact O-C 3.52Å; H54-V131 VanDerWaalsContact O-CA 3.25Å; H54-V131 WeakPolarHBondContact O-CA 3.29Å; H54-K132 HydrophobicContact CB-CB 4.21Å; H54-K132 PolarHBondContact N-O 3.21Å; H54-K132 PolarHBondContact O-N 2.82Å
55A93Very high89Confident30 Ų3043.3 Ų43.325%0.24825%0.245CC..EExtended strand (participates in β ladder)trans-111.4141.2170.600000110.1F53 E57 V60 L62F53-A55 HydrophobicContact CE1-CB 3.98Å; F53-A55 HydrophobicContact CZ-CB 3.72Å; A55-E57 PolarHBondContact O-N 3.42Å; A55-V60 HydrophobicContact CB-CB 4Å; A55-V60 HydrophobicContact CB-CG1 4.1Å; A55-V60 HydrophobicContact CB-CG2 4.32Å; A55-L62 HydrophobicContact CB-CD1 3.64Å; A55-L62 HydrophobicContact CB-CG 4.13Å
56S90.5Very high86.5Confident35 Ų3546.4 Ų46.425%0.24528%0.276CS..  trans-71.7114.8173.1177.20000109.6N58 R59 V60 A130S56-N58 PolarHBondContact O-N 2.84Å; S56-N58 VanDerWaalsContact O-N 3.11Å; S56-R59 PolarHBondContact O-N 3.05Å; S56-V60 PolarHBondContact O-N 2.73Å; S56-A130 WeakPolarHBondContact CB-O 3.37Å; S56-A130 PolarHBondContact N-O 2.81Å
57E88.2Confident83.6Confident158 Ų15851.9 Ų51.974%0.73831%0.305SS*.THydrogen-bonded Turntrans-57.6-29.3-178.6-64.4178.7-175.900112.9A55 R270A55-E57 PolarHBondContact O-N 3.42Å; E57-R270 PolarHBondContact O-NE 3.18Å; E57-R270 VanDerWaalsContact O-NE 3.11Å; E57-R270 PolarHBondContact O-NH2 3.07Å
58N89Confident81.1Confident138 Ų13860.3 Ų60.374%0.73834%0.341SS*.THydrogen-bonded Turntrans-77.5-22.1179.9-67.7-27.2000113.5S56S56-N58 PolarHBondContact O-N 2.84Å; S56-N58 VanDerWaalsContact O-N 3.11Å
59R88.7Confident78.4Confident82 Ų8266.8 Ų66.831%0.30937%0.372SS..THydrogen-bonded Turntrans-116.5-31-171-67.7-170.5-178.8-150.52.4113.3S56 Q129 A130 I264 R270 Q274 S277S56-R59 PolarHBondContact O-N 3.05Å; R59-Q129 VanDerWaalsContact NH1-CB 3.33Å; R59-A130 HydrophobicContact CB-CB 4.46Å; R59-I264 HydrophobicContact CB-CD1 4.06Å; R59-I264 WeakPolarHBondContact O-CD1 3.32Å; R59-R270 PolarHBondContact O-N 2.93Å; R59-Q274 VanDerWaalsContact CA-NE2 3.33Å; R59-Q274 VanDerWaalsContact CB-NE2 3.31Å; R59-Q274 PolarHBondContact O-NE2 2.88Å; R59-Q274 PolarHBondContact O-OE1 3.11Å; R59-S277 PolarHBondContact NH1-OG 2.86Å
60V91.1Very high75.7Confident4 Ų472.4 Ų72.42%0.02440%0.402CS..BIsolated β-bridgetrans-116130.2-172.9-173.10000109.4A55 S56 L62 A130 V131 I264 Y268 R270 I312A55-V60 HydrophobicContact CB-CB 4Å; A55-V60 HydrophobicContact CB-CG1 4.1Å; A55-V60 HydrophobicContact CB-CG2 4.32Å; S56-V60 PolarHBondContact O-N 2.73Å; V60-L62 HydrophobicContact CG1-CD2 3.75Å; V60-L62 HydrophobicContact CG1-CG 3.98Å; V60-A130 HydrophobicContact CG2-CB 3.94Å; V60-V131 HydrophobicContact CG2-CG1 4.24Å; V60-I264 HydrophobicContact CG2-CD1 4.19Å; V60-Y268 WeakPolarHBondContact CA-O 3.42Å; V60-R270 PolarHBondContact O-NE 3.03Å; V60-I312 HydrophobicContact CG1-CG2 3.85Å
61A90.4Very high73.2Confident28 Ų2879.1 Ų79.123%0.23144%0.442CS..  trans-102.587.4174.100000108.1Y268 R270A61-Y268 PolarHBondContact N-O 2.89Å; A61-Y268 WeakPolarHBondContact O-CD1 3.43Å; A61-R270 HydrophobicContact CB-CG 4.01Å
62L86.4Confident70.9Confident54 Ų5485.2 Ų85.228%0.28347%0.471SS..  trans-74.6144.9172.1-62.3177.1000109.5F53 A55 V60 A64 Y268 I312F53-L62 HydrophobicContact CE1-CD1 3.8Å; F53-L62 HydrophobicContact CE1-CD2 4.21Å; F53-L62 HydrophobicContact CZ-CD1 4.5Å; F53-L62 HydrophobicContact CZ-CD2 4.42Å; A55-L62 HydrophobicContact CB-CD1 3.64Å; A55-L62 HydrophobicContact CB-CG 4.13Å; V60-L62 HydrophobicContact CG1-CD2 3.75Å; V60-L62 HydrophobicContact CG1-CG 3.98Å; L62-A64 PolarHBondContact O-N 2.68Å; L62-Y268 HydrophobicContact CD2-CD1 4.34Å; L62-I312 HydrophobicContact CD2-CD1 3.89Å
63P78.9Confident68.4Low87 Ų8788.2 Ų88.257%0.56550%0.496SS*.  trans-54.3139168.823.1-32.6000108.2Q65 Y268P63-Q65 VanDerWaalsContact C-N 3.31Å; P63-Q65 PolarHBondContact O-N 3.48Å; P63-Y268 HydrophobicContact CG-CE1 4.48Å
64A65.9Low66.1Low101 Ų10196.4 Ų96.484%0.83554%0.54SS*.  trans-58.2101.6172.600000107.2L62 G66L62-A64 PolarHBondContact O-N 2.68Å; A64-G66 PolarHBondContact O-N 3.47Å
65Q58.5Low64Low117 Ų11795.5 Ų95.555%0.54754%0.54SS..  trans-64.897.6162.6-76.5-171.7-14.900104.2P63 N67P63-Q65 VanDerWaalsContact C-N 3.31Å; P63-Q65 PolarHBondContact O-N 3.48Å; Q65-N67 PolarHBondContact O-N 3.19Å; Q65-N67 VanDerWaalsContact O-N 3.1Å
66G41.5Very low62.4Low65 Ų6599.6 Ų99.667%0.6756%0.558SS**THydrogen-bonded Turntrans-47.2124.4176.400000107.5A64 K68A64-G66 PolarHBondContact O-N 3.47Å; G66-K68 VanDerWaalsContact C-N 3.26Å; G66-K68 PolarHBondContact O-N 2.73Å
67N35.9Very low61.2Low124 Ų124102.2 Ų102.266%0.66357%0.572SS**THydrogen-bonded Turntrans-13.581.9-173.7-79.1-4000113.6Q65 Q69Q65-N67 PolarHBondContact O-N 3.19Å; Q65-N67 VanDerWaalsContact O-N 3.1Å; N67-Q69 HydrophobicContact CB-CB 4.24Å; N67-Q69 HydrophobicContact CB-CG 4.33Å; N67-Q69 PolarHBondContact O-N 3.39Å
68K42.2Very low60.4Low176 Ų17698.3 Ų98.377%0.76556%0.559SS**  trans-84.654.7136.1-63.3-172.6-179.2-175.60104.9G66 D70G66-K68 VanDerWaalsContact C-N 3.26Å; G66-K68 PolarHBondContact O-N 2.73Å; K68-D70 PolarHBondContact O-N 2.8Å
69Q38.6Very low59.7Low142 Ų14292.7 Ų92.766%0.66453%0.529SS*.  -30.3109.8111.5-80-174.1-7.100107.4N67 V71N67-Q69 HydrophobicContact CB-CB 4.24Å; N67-Q69 HydrophobicContact CB-CG 4.33Å; N67-Q69 PolarHBondContact O-N 3.39Å; Q69-V71 WeakPolarHBondContact O-CG2 3.46Å; Q69-V71 PolarHBondContact O-N 2.93Å
70D40.2Very low59.4Low118 Ų11889.9 Ų89.963%0.63152%0.52SS*.  trans-41.994.5165.2-68.7-44.7000107.6K68 Q72K68-D70 PolarHBondContact O-N 2.8Å; D70-Q72 HydrophobicContact CB-CB 3.94Å; D70-Q72 PolarHBondContact O-N 2.89Å
71V41.2Very low58.6Low141 Ų14190.3 Ų90.386%0.85552%0.523SS*.  trans-72.521.9158.5-170.10000107.4Q69 A73Q69-V71 WeakPolarHBondContact O-CG2 3.46Å; Q69-V71 PolarHBondContact O-N 2.93Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 3.45Å
72Q47.2Very low58.1Low128 Ų12890.4 Ų90.460%0.59852%0.522SS*.  trans-94.678.6-166.1-155.3152.9-11.400106.5D70D70-Q72 HydrophobicContact CB-CB 3.94Å; D70-Q72 PolarHBondContact O-N 2.89Å
73A41.8Very low57.8Low64 Ų6492.2 Ų92.253%0.52953%0.525SS..  trans37.3122.5161.700000116.3V71 S75V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 3.45Å; A73-S75 PolarHBondContact O-N 2.86Å
74D45.4Very low57.7Low175 Ų17592 Ų9294%0.93654%0.539SS*.  trans-56.733.5151.3-105.2-12.4000112.6D76D74-D76 PolarHBondContact O-N 3.25Å
75S49.6Very low58.4Low38 Ų3889.3 Ų89.327%0.26651%0.509SS..  trans-87.699.7177.7178.80000108.6A73 T77 V78A73-S75 PolarHBondContact O-N 2.86Å; S75-T77 PolarHBondContact O-N 2.94Å; S75-T77 PolarHBondContact OG-OG1 2.89Å; S75-V78 WeakPolarHBondContact OG-CG2 3.28Å
76D59.8Low59.4Low117 Ų11794.1 Ų94.163%0.62652%0.522SS*.THydrogen-bonded Turntrans-62.6-6179.4-80.7-29000115D74 I148D74-D76 PolarHBondContact O-N 3.25Å; D76-I148 WeakPolarHBondContact O-CD1 3.26Å; D76-I148 WeakPolarHBondContact O-CG1 3.32Å
77T63.8Low61.4Low89 Ų8993.3 Ų93.355%0.54651%0.514SS..THydrogen-bonded Turntrans-113.7-6.8-171.755.90000115.2W44 S75W44-T77 WeakPolarHBondContact CZ2-O 3.19Å; S75-T77 PolarHBondContact O-N 2.94Å; S75-T77 PolarHBondContact OG-OG1 2.89Å
78V72.9Confident63.9Low77 Ų7790 Ų9047%0.46749%0.494SS..SBendtrans-93.2134.2-178.7174.60000110.7S75 I80 I148S75-V78 WeakPolarHBondContact OG-CG2 3.28Å; V78-I80 HydrophobicContact CG1-CG1 4.44Å; V78-I80 PolarHBondContact O-N 2.81Å; V78-I148 WeakPolarHBondContact O-CD1 3.36Å
79L74.6Confident66.1Low20 Ų2084 Ų8411%0.10547%0.473CS..  trans-69.3112.1172-177.766.6000110.6W44 S46 Q48 P95 G140 L150W44-L79 HydrophobicContact CH2-CB 4.14Å; W44-L79 HydrophobicContact CH2-CD1 4.27Å; W44-L79 HydrophobicContact CZ3-CB 4.21Å; W44-L79 HydrophobicContact CZ3-CD1 4.29Å; S46-L79 WeakPolarHBondContact OG-CD2 3.32Å; Q48-L79 HydrophobicContact CG-CD2 4.08Å; L79-P95 HydrophobicContact CD2-CB 4.31Å; L79-G140 VanDerWaalsContact CD1-CA 3.46Å; L79-L150 HydrophobicContact CD1-CD2 3.57Å
80I81.3Confident68.6Low23 Ų2380.6 Ų80.612%0.11846%0.462CS..  trans-110.3106.8170.1-56.8177.8000107.9V78 S82 R83V78-I80 HydrophobicContact CG1-CG1 4.44Å; V78-I80 PolarHBondContact O-N 2.81Å; I80-S82 VanDerWaalsContact C-N 3.34Å; I80-S82 PolarHBondContact O-N 2.83Å; I80-R83 HydrophobicContact CB-CB 4.06Å; I80-R83 HydrophobicContact CG2-CB 4.01Å; I80-R83 VanDerWaalsContact O-CB 3.31Å; I80-R83 WeakPolarHBondContact O-CB 3.36Å; I80-R83 PolarHBondContact O-N 2.83Å
81P75.4Confident71Confident13 Ų1376.3 Ų76.38%0.08444%0.439CS..THydrogen-bonded Turntrans-67.6-38.1-17123.5-25.2000112.2Q48 H50 R83 T138 R152Q48-P81 VanDerWaalsContact CD-CG 3.43Å; Q48-P81 HydrophobicContact CG-CB 3.79Å; Q48-P81 HydrophobicContact CG-CG 4.11Å; H50-P81 HydrophobicContact CB-CB 4.4Å; H50-P81 HydrophobicContact CB-CG 4.45Å; P81-R83 VanDerWaalsContact C-N 3.25Å; P81-R83 PolarHBondContact O-N 3.17Å; P81-T138 HydrophobicContact CB-CG2 4.4Å; P81-R152 PolarHBondContact O-NH2 3.03Å
82S78Confident73.4Confident30 Ų3074 Ų7421%0.2142%0.422CS..THydrogen-bonded Turntrans-77.8-2.3-179.953.90000113.7I80 G84 E85I80-S82 VanDerWaalsContact C-N 3.34Å; I80-S82 PolarHBondContact O-N 2.83Å; S82-G84 PolarHBondContact O-N 2.9Å; S82-G84 VanDerWaalsContact O-N 3.11Å; S82-E85 WeakPolarHBondContact O-CB 3.38Å; S82-E85 PolarHBondContact O-N 2.8Å
83R82Confident75.6Confident92 Ų9268.4 Ų68.435%0.34740%0.397SS..THydrogen-bonded Turntrans-57.2119.3-173.8-175.6-177.6-76.4-170.4-2.6111.2I80 P81 E85 L150 R152I80-R83 HydrophobicContact CB-CB 4.06Å; I80-R83 HydrophobicContact CG2-CB 4.01Å; I80-R83 VanDerWaalsContact O-CB 3.31Å; I80-R83 WeakPolarHBondContact O-CB 3.36Å; I80-R83 PolarHBondContact O-N 2.83Å; P81-R83 VanDerWaalsContact C-N 3.25Å; P81-R83 PolarHBondContact O-N 3.17Å; R83-E85 VanDerWaalsContact C-N 3.3Å; R83-L150 HydrophobicContact CB-CD1 4.02Å; R83-R152 PolarHBondContact O-NH2 3.24Å
84G75.8Confident78Confident83 Ų8369.9 Ų69.986%0.85640%0.401SS*.THydrogen-bonded Turntrans796.9-178.800000114.8S82S82-G84 PolarHBondContact O-N 2.9Å; S82-G84 VanDerWaalsContact O-N 3.11Å
85E81Confident80.2Confident43 Ų4365 Ų6520%0.20138%0.379CS..  trans-88.4148.2169.7-55.7-153.2100.700110.9H50 Q52 S82 R83 K136 R152H50-E85 IonicContact CD2-OE2 2.8Å; H50-E85 IonicContact CE1-OE2 3.12Å; H50-E85 IonicContact NE2-OE2 3.45Å; H50-E85 PolarHBondContact NE2-OE2 3.01Å; Q52-E85 VanDerWaalsContact CG-OE2 3.29Å; Q52-E85 WeakPolarHBondContact CG-OE2 3.41Å; Q52-E85 PolarHBondContact NE2-OE2 3.18Å; S82-E85 WeakPolarHBondContact O-CB 3.38Å; S82-E85 PolarHBondContact O-N 2.8Å; R83-E85 VanDerWaalsContact C-N 3.3Å; E85-K136 IonicContact OE1-NZ 3.63Å; E85-K136 PolarHBondContact OE1-NZ 2.81Å; E85-R152 IonicContact OE1-NE 3.87Å; E85-R152 IonicContact OE2-NE 2.66Å
86R79.3Confident82.4Confident219 Ų21967.1 Ų67.183%0.82638%0.383SS*.  trans-85.6156.5168.4-60.4-176.6-173.6-174.21.3108.6H54H54-R86 PolarHBondContact CE1-O 3.11Å; H54-R86 PolarHBondContact ND1-O 3.33Å
87G83.4Confident84Confident48 Ų4867.2 Ų67.250%0.49538%0.383SS..SBendtrans97.5-174.1178.900000112.8F53F53-G87 CarbonylContact O-C 3.6Å; F53-G87 VanDerWaalsContact O-CA 3.25Å; F53-G87 WeakPolarHBondContact O-CA 3.34Å
88Q87.7Confident85.5Confident54 Ų5464.1 Ų64.125%0.25236%0.363SS..EExtended strand (participates in β ladder)trans-108.7132.4-179.2-68.4170.4-15.400109.3Q52 F53 V90Q52-Q88 PolarHBondContact OE1-O 2.87Å; F53-Q88 WeakPolarHBondContact CB-O 3.41Å; F53-Q88 HydrophobicContact CD1-CB 4.37Å; F53-Q88 PolarHBondContact N-O 3.47Å; F53-Q88 PolarHBondContact O-N 3.43Å; Q88-V90 HydrophobicContact CB-CG1 4.48Å; Q88-V90 PolarHBondContact O-N 2.7Å
89C89.2Confident86.5Confident49 Ų4961.3 Ų61.333%0.33134%0.344SS..EExtended strand (participates in β ladder)trans-72.8109.7166.6-165.10000107.8
90V90.4Very high87.3Confident71 Ų7164.7 Ų64.743%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-96.5-15.3-178.7-71.10000112.5C51 F53 Q88 Y133C51-V90 HydrophobicContact CB-CG2 4.1Å; C51-V90 WeakPolarHBondContact O-CG2 3.48Å; C51-V90 PolarHBondContact O-N 3.48Å; F53-V90 HydrophobicContact CB-CB 4.22Å; F53-V90 HydrophobicContact CB-CG1 3.36Å; F53-V90 HydrophobicContact CB-CG2 3.8Å; F53-V90 HydrophobicContact CD1-CG1 4.06Å; F53-V90 HydrophobicContact CG-CG1 3.95Å; Q88-V90 HydrophobicContact CB-CG1 4.48Å; Q88-V90 PolarHBondContact O-N 2.7Å; V90-Y133 HydrophobicContact CG2-CD1 4.5Å
91L91Very high87.8Confident28 Ų2869.1 Ų69.115%0.14739%0.393CS..EExtended strand (participates in β ladder)trans-157.1137.9179.1-169.9150.9000109.7H50 C51 P119H50-L91 CarbonylContact C-O 3.52Å; H50-L91 VanDerWaalsContact CA-O 3.25Å; H50-L91 WeakPolarHBondContact CA-O 3.26Å; C51-L91 HydrophobicContact CB-CB 3.96Å; C51-L91 PolarHBondContact N-O 3.1Å; L91-P119 HydrophobicContact CD1-CB 3.68Å; L91-P119 HydrophobicContact CD2-CB 3.43Å; L91-P119 VanDerWaalsContact CD2-CB 3.43Å; L91-P119 HydrophobicContact CD2-CG 3.34Å; L91-P119 HydrophobicContact CG-CB 4.16Å
92D91.5Very high88.7Confident94 Ų9468.7 Ų68.750%0.50339%0.389SS..EExtended strand (participates in β ladder)trans-146.1150.9169.856-87.9000111.3I49 H50I49-D92 CarbonylContact O-C 3.56Å; I49-D92 WeakPolarHBondContact O-CA 3.47Å; H50-D92 HydrophobicContact CB-CB 4.03Å
93T93.8Very high89.4Confident9 Ų973.4 Ų73.46%0.05540%0.403CS..PPolyproline II helixtrans-91.5154.4171.361.10000109.9I49 E116 P119I49-T93 HydrophobicContact CB-CG2 3.86Å; I49-T93 HydrophobicContact CG2-CG2 4.41Å; I49-T93 PolarHBondContact N-OG1 2.85Å; I49-T93 PolarHBondContact O-N 3.32Å; I49-T93 PolarHBondContact O-OG1 3.03Å; T93-E116 HydrophobicContact CG2-CG 4.12Å; T93-P119 HydrophobicContact CG2-CG 3.57Å
94P91.6Very high89.9Confident95 Ų9569 Ų6962%0.61739%0.386SS*.PPolyproline II helixtrans-57.3138172.325-34.2000110.8K96P94-K96 PolarHBondContact O-N 2.99Å
95P92.1Very high90.7Very high74 Ų7467.9 Ų67.948%0.48136%0.36SS..PPolyproline II helixtrans-69.3133.2-178.927.2-34.1000111.6Q48 L79Q48-P95 HydrophobicContact CB-CB 4.31Å; L79-P95 HydrophobicContact CD2-CB 4.31Å
96K94.6Very high91.1Very high81 Ų8166.3 Ų66.335%0.35235%0.354SS..EExtended strand (participates in β ladder)trans-101.2125.1174.1-73.7175163161.30110.3S46 A47 P94 Y114 S115 E116S46-K96 CarbonylContact C-O 3.59Å; S46-K96 WeakPolarHBondContact CA-O 3.32Å; S46-K96 VanDerWaalsContact CB-O 3.32Å; S46-K96 WeakPolarHBondContact CB-O 3.36Å; A47-K96 PolarHBondContact N-O 3.36Å; A47-K96 PolarHBondContact O-N 2.81Å; P94-K96 PolarHBondContact O-N 2.99Å; K96-Y114 HydrophobicContact CB-CD2 4.32Å; K96-Y114 HydrophobicContact CB-CE2 4Å; K96-Y114 HydrophobicContact CD-CD2 4.39Å; K96-Y114 HydrophobicContact CD-CE2 3.94Å; K96-Y114 HydrophobicContact CG-CE2 4.4Å; K96-S115 PolarHBondContact NZ-O 2.85Å; K96-E116 WeakPolarHBondContact CD-OE2 3.26Å; K96-E116 WeakPolarHBondContact CE-OE2 3.42Å; K96-E116 VanDerWaalsContact NZ-CD 3.26Å; K96-E116 IonicContact NZ-OE1 2.72Å; K96-E116 PolarHBondContact NZ-OE1 3Å; K96-E116 IonicContact NZ-OE2 3.64Å; K96-E116 PolarHBondContact NZ-OE2 3.13Å
97I94.7Very high91.5Very high119 Ų11956.8 Ų56.861%0.6132%0.324SS*.EExtended strand (participates in β ladder)trans-76.1127.4176.3-59.7171.9000108.6
98L94.9Very high92Very high25 Ų2557.4 Ų57.413%0.13131%0.314CS..EExtended strand (participates in β ladder)trans-85.4-42.7175.9-57.9175.3000110.8I24 F26 A45 A47 Y112 I139I24-L98 HydrophobicContact CB-CD1 4.46Å; I24-L98 HydrophobicContact CD1-CD1 3.59Å; I24-L98 HydrophobicContact CD1-CD2 4.13Å; I24-L98 HydrophobicContact CG2-CD1 4.28Å; F26-L98 HydrophobicContact CE2-CD1 4.24Å; F26-L98 HydrophobicContact CZ-CD1 4.2Å; A45-L98 HydrophobicContact CB-CB 4.34Å; A45-L98 HydrophobicContact CB-CD1 4.12Å; A45-L98 PolarHBondContact O-N 3.39Å; A47-L98 HydrophobicContact CB-CD1 4.48Å; L98-Y112 HydrophobicContact CB-CG 4.44Å; L98-Y112 WeakPolarHBondContact O-CD1 3.41Å; L98-Y112 WeakPolarHBondContact O-CE1 3.38Å; L98-I139 HydrophobicContact CD1-CG2 4.13Å
99F94.8Very high92.3Very high17 Ų1758 Ų588%0.07532%0.324CS..EExtended strand (participates in β ladder)trans-160.4159173.957.6-99.5000110.9F26 L42 W44 A45 L102 Y112F26-F99 HydrophobicContact CD1-CE1 4.35Å; F26-F99 HydrophobicContact CD1-CZ 4.35Å; F26-F99 AromaticContact CD2-CE1 3.94Å; F26-F99 HydrophobicContact CD2-CE1 3.94Å; F26-F99 HydrophobicContact CE1-CE1 4.06Å; F26-F99 HydrophobicContact CE1-CZ 4.09Å; F26-F99 AromaticContact CE2-CE1 3.63Å; F26-F99 HydrophobicContact CE2-CE1 3.63Å; F26-F99 HydrophobicContact CE2-CZ 4.45Å; F26-F99 HydrophobicContact CG-CE1 4.3Å; F26-F99 AromaticContact CZ-CE1 3.7Å; F26-F99 HydrophobicContact CZ-CE1 3.7Å; F26-F99 HydrophobicContact CZ-CZ 4.15Å; L42-F99 HydrophobicContact CB-CE2 3.65Å; L42-F99 HydrophobicContact CB-CZ 3.91Å; L42-F99 HydrophobicContact CD1-CE2 4.32Å; L42-F99 HydrophobicContact CD1-CZ 3.7Å; L42-F99 HydrophobicContact CG-CZ 4.46Å; W44-F99 WeakPolarHBondContact CA-O 3.41Å; A45-F99 HydrophobicContact CB-CD1 4.18Å; A45-F99 HydrophobicContact CB-CE1 3.49Å; A45-F99 VanDerWaalsContact CB-CE1 3.49Å; A45-F99 HydrophobicContact CB-CE2 4Å; A45-F99 HydrophobicContact CB-CZ 3.37Å; A45-F99 PolarHBondContact N-O 2.8Å; F99-L102 HydrophobicContact CD1-CB 4.37Å; F99-L102 HydrophobicContact CD1-CD2 4.08Å; F99-L102 HydrophobicContact CD2-CB 3.49Å; F99-L102 VanDerWaalsContact CD2-CB 3.49Å; F99-L102 HydrophobicContact CE1-CB 4.3Å; F99-L102 HydrophobicContact CE1-CD2 3.67Å; F99-L102 HydrophobicContact CE2-CB 3.45Å; F99-L102 VanDerWaalsContact CE2-CB 3.45Å; F99-L102 HydrophobicContact CE2-CD2 4.27Å; F99-L102 HydrophobicContact CE2-CG 4.49Å; F99-L102 HydrophobicContact CG-CB 3.99Å; F99-L102 HydrophobicContact CZ-CB 3.87Å; F99-L102 HydrophobicContact CZ-CD2 3.79Å; F99-L102 HydrophobicContact CZ-CG 4.47Å; F99-Y112 HydrophobicContact CB-CE1 4.17Å; F99-Y112 HydrophobicContact CD1-CD2 4.12Å; F99-Y112 HydrophobicContact CD1-CE1 4.11Å; F99-Y112 AromaticContact CD1-CE2 3.56Å; F99-Y112 HydrophobicContact CD1-CE2 3.56Å; F99-Y112 AromaticContact CD1-CZ 3.56Å; F99-Y112 HydrophobicContact CE1-CD2 4.43Å; F99-Y112 AromaticContact CE1-CE2 3.99Å; F99-Y112 HydrophobicContact CE1-CE2 3.99Å
100C90.7Very high92.6Very high91 Ų9159.2 Ų59.262%0.61532%0.324SS*.EExtended strand (participates in β ladder)trans-117.3120.7163.6-57.50000106.2
101D92.5Very high92.9Very high117 Ų11759.5 Ų59.563%0.62633%0.326SS*.EExtended strand (participates in β ladder)trans61.5101.2-174.4-58.8-39.9000115.4L42 A43L42-D101 CarbonylContact O-C 3.54Å; L42-D101 VanDerWaalsContact O-CA 3.3Å; L42-D101 WeakPolarHBondContact O-CA 3.42Å; A43-D101 PolarHBondContact O-N 2.76Å
102L93.2Very high93.2Very high3 Ų361.1 Ų61.12%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-120.3118.4172.7173.559000110.5F26 M41 L42 F99 L104 K110 Y112F26-L102 HydrophobicContact CB-CD2 4.26Å; F26-L102 HydrophobicContact CG-CD2 4.43Å; M41-L102 WeakPolarHBondContact CA-O 3.34Å; L42-L102 HydrophobicContact CB-CB 4.37Å; L42-L102 HydrophobicContact CD1-CD2 4.45Å; L42-L102 PolarHBondContact N-O 2.98Å; L42-L102 PolarHBondContact O-N 3.11Å; F99-L102 HydrophobicContact CD1-CB 4.37Å; F99-L102 HydrophobicContact CD1-CD2 4.08Å; F99-L102 HydrophobicContact CD2-CB 3.49Å; F99-L102 VanDerWaalsContact CD2-CB 3.49Å; F99-L102 HydrophobicContact CE1-CB 4.3Å; F99-L102 HydrophobicContact CE1-CD2 3.67Å; F99-L102 HydrophobicContact CE2-CB 3.45Å; F99-L102 VanDerWaalsContact CE2-CB 3.45Å; F99-L102 HydrophobicContact CE2-CD2 4.27Å; F99-L102 HydrophobicContact CE2-CG 4.49Å; F99-L102 HydrophobicContact CG-CB 3.99Å; F99-L102 HydrophobicContact CZ-CB 3.87Å; F99-L102 HydrophobicContact CZ-CD2 3.79Å; F99-L102 HydrophobicContact CZ-CG 4.47Å; L102-L104 HydrophobicContact CD1-CD2 4.03Å; L102-L104 HydrophobicContact CD1-CG 4.32Å; L102-L104 HydrophobicContact CD2-CD1 4.26Å; L102-L104 HydrophobicContact CD2-CD2 4.24Å; L102-L104 HydrophobicContact CD2-CG 4.19Å; L102-L104 HydrophobicContact CG-CD2 4.22Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L102-K110 HydrophobicContact CD1-CD 3.54Å; L102-K110 HydrophobicContact CD1-CG 4.46Å; L102-Y112 HydrophobicContact CD2-CE2 4.08Å
103R93.6Very high93.4Very high130 Ų13060.4 Ų60.449%0.49133%0.332SS..EExtended strand (participates in β ladder)trans-94.1133.3165.6-177.2179.6175.5163.47.4109.9S39 E40 D105S39-R103 PolarHBondContact OG-NE 3.15Å; S39-R103 PolarHBondContact OG-NH2 2.77Å; E40-R103 WeakPolarHBondContact O-CA 3.41Å; R103-D105 IonicContact NE-OD1 2.68Å; R103-D105 PolarHBondContact NE-OD1 3.18Å; R103-D105 IonicContact NH2-OD1 3.19Å
104L92.5Very high93.5Very high0 Ų060.1 Ų60.10%033%0.33CS..EExtended strand (participates in β ladder)trans-124.5120.4172.8-66173.7000110.3I2 F26 N28 S39 E40 L102 E108 K110I2-L104 HydrophobicContact CD1-CD1 4.25Å; I2-L104 HydrophobicContact CG2-CD1 4.29Å; F26-L104 HydrophobicContact CB-CD1 3.84Å; N28-L104 HydrophobicContact CB-CB 4.06Å; N28-L104 PolarHBondContact ND2-O 2.81Å; N28-L104 VanDerWaalsContact ND2-O 3.16Å; S39-L104 WeakPolarHBondContact CA-O 3.35Å; E40-L104 PolarHBondContact N-O 3.41Å; E40-L104 PolarHBondContact O-N 2.93Å; L102-L104 HydrophobicContact CD1-CD2 4.03Å; L102-L104 HydrophobicContact CD1-CG 4.32Å; L102-L104 HydrophobicContact CD2-CD1 4.26Å; L102-L104 HydrophobicContact CD2-CD2 4.24Å; L102-L104 HydrophobicContact CD2-CG 4.19Å; L102-L104 HydrophobicContact CG-CD2 4.22Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L104-E108 WeakPolarHBondContact CA-OE2 3.4Å; L104-E108 HydrophobicContact CD2-CB 4.37Å; L104-E108 HydrophobicContact CD2-CG 4.07Å; L104-K110 HydrophobicContact CD2-CB 4.21Å; L104-K110 HydrophobicContact CD2-CD 4.23Å; L104-K110 HydrophobicContact CD2-CG 3.79Å
105D92.1Very high93.6Very high58 Ų5857.5 Ų57.531%0.3131%0.314SS..  trans-75.2164172.2-72.1-21.3000111.5N28 S39 R103 G107 E108N28-D105 VanDerWaalsContact CB-O 3.31Å; N28-D105 WeakPolarHBondContact CB-O 3.27Å; N28-D105 PolarHBondContact ND2-O 3.27Å; S39-D105 WeakPolarHBondContact CB-OD1 3.44Å; S39-D105 PolarHBondContact OG-OD1 2.9Å; R103-D105 IonicContact NE-OD1 2.68Å; R103-D105 PolarHBondContact NE-OD1 3.18Å; R103-D105 IonicContact NH2-OD1 3.19Å; D105-G107 PolarHBondContact O-N 3.14Å; D105-E108 HydrophobicContact CB-CB 4.4Å; D105-E108 PolarHBondContact N-OE2 3Å; D105-E108 WeakPolarHBondContact O-CB 3.28Å; D105-E108 PolarHBondContact O-N 3.06Å
106P89.5Confident93.7Very high11 Ų1155.5 Ų55.57%0.07130%0.299CS..THydrogen-bonded Turntrans-55.3123.2-179.4-2939000112.9M30 S31 H32 S38 E108M30-P106 HydrophobicContact CB-CB 4.15Å; M30-P106 CarbonylContact O-C 3.54Å; S31-P106 WeakPolarHBondContact O-CB 3.14Å; H32-P106 PolarHBondContact ND1-O 3.24Å; S38-P106 WeakPolarHBondContact OG-CG 3.44Å; P106-E108 PolarHBondContact O-N 2.86Å
107G88.3Confident93.7Very high19 Ų1956.2 Ų56.220%0.19631%0.306CS..THydrogen-bonded Turntrans78.1-2.5-177.400000114.4N28 M30 H32 D105N28-G107 WeakPolarHBondContact O-CA 3.26Å; N28-G107 PolarHBondContact O-N 3.29Å; M30-G107 WeakPolarHBondContact O-CA 3.21Å; M30-G107 PolarHBondContact O-N 3.01Å; H32-G107 WeakPolarHBondContact CE1-CA 3.39Å; H32-G107 PolarHBondContact CE1-O 3.5Å; D105-G107 PolarHBondContact O-N 3.14Å
108E92.5Very high93.6Very high60 Ų6050.7 Ų50.728%0.2828%0.277SS..  trans-71.7138.5174.6-166.6-176.1174.300110.3N28 L104 D105 P106 K110N28-E108 PolarHBondContact N-O 2.78Å; L104-E108 WeakPolarHBondContact CA-OE2 3.4Å; L104-E108 HydrophobicContact CD2-CB 4.37Å; L104-E108 HydrophobicContact CD2-CG 4.07Å; D105-E108 HydrophobicContact CB-CB 4.4Å; D105-E108 PolarHBondContact N-OE2 3Å; D105-E108 WeakPolarHBondContact O-CB 3.28Å; D105-E108 PolarHBondContact O-N 3.06Å; P106-E108 PolarHBondContact O-N 2.86Å; E108-K110 WeakPolarHBondContact OE1-CE 3.36Å; E108-K110 IonicContact OE1-NZ 3.87Å
109S94.6Very high93.5Very high67 Ų6750.6 Ų50.647%0.46928%0.278SS..EExtended strand (participates in β ladder)trans-127.2142.7168.9610000110.9F26 T27F26-S109 CarbonylContact O-C 3.28Å; F26-S109 WeakPolarHBondContact O-CA 3.46Å; T27-S109 WeakPolarHBondContact OG1-CB 3.07Å
110K96.1Very high93.2Very high75 Ų7554 Ų5433%0.32630%0.3SS..EExtended strand (participates in β ladder)trans-127.8134.1171-68.3-165.4-160.41640110.6T25 F26 L102 L104 E108 Y112T25-K110 WeakPolarHBondContact CA-O 3.2Å; F26-K110 PolarHBondContact N-O 2.91Å; F26-K110 PolarHBondContact O-N 2.88Å; L102-K110 HydrophobicContact CD1-CD 3.54Å; L102-K110 HydrophobicContact CD1-CG 4.46Å; L104-K110 HydrophobicContact CD2-CB 4.21Å; L104-K110 HydrophobicContact CD2-CD 4.23Å; L104-K110 HydrophobicContact CD2-CG 3.79Å; E108-K110 WeakPolarHBondContact OE1-CE 3.36Å; E108-K110 IonicContact OE1-NZ 3.87Å; K110-Y112 HydrophobicContact CB-CE2 4.03Å
111T96.8Very high92.9Very high77 Ų7757.1 Ų57.147%0.47231%0.311SS..EExtended strand (participates in β ladder)trans-112.7132.6-179.1-54.50000110.2L23 I24 T25L23-T111 HydrophobicContact CB-CG2 4.13Å; L23-T111 HydrophobicContact CD2-CG2 4.36Å; I24-T111 CarbonylContact O-C 3.58Å; I24-T111 WeakPolarHBondContact O-CA 3.26Å; T25-T111 WeakPolarHBondContact OG1-CG2 3.27Å; T25-T111 PolarHBondContact OG1-OG1 2.85Å
112Y96.6Very high92.7Very high62 Ų6251.8 Ų51.824%0.24328%0.284CS..EExtended strand (participates in β ladder)trans-116.4143.1175.2-64.4-95.1000109.4I24 F26 L98 F99 L102 K110I24-Y112 PolarHBondContact N-O 3.3Å; I24-Y112 PolarHBondContact O-N 3.3Å; F26-Y112 AromaticContact CD2-CD2 3.97Å; F26-Y112 HydrophobicContact CD2-CD2 3.97Å; F26-Y112 HydrophobicContact CD2-CE2 4.24Å; F26-Y112 HydrophobicContact CE2-CD2 4.04Å; L98-Y112 HydrophobicContact CB-CG 4.44Å; L98-Y112 WeakPolarHBondContact O-CD1 3.41Å; L98-Y112 WeakPolarHBondContact O-CE1 3.38Å; F99-Y112 HydrophobicContact CB-CE1 4.17Å; F99-Y112 HydrophobicContact CD1-CD2 4.12Å; F99-Y112 HydrophobicContact CD1-CE1 4.11Å; F99-Y112 AromaticContact CD1-CE2 3.56Å; F99-Y112 HydrophobicContact CD1-CE2 3.56Å; F99-Y112 AromaticContact CD1-CZ 3.56Å; F99-Y112 HydrophobicContact CE1-CD2 4.43Å; F99-Y112 AromaticContact CE1-CE2 3.99Å; F99-Y112 HydrophobicContact CE1-CE2 3.99Å; L102-Y112 HydrophobicContact CD2-CE2 4.08Å; K110-Y112 HydrophobicContact CB-CE2 4.03Å
113S95.4Very high92.8Very high78 Ų7852.6 Ų52.655%0.54529%0.289SS..EExtended strand (participates in β ladder)trans-96.7125.7173.1-168.90000110.1
114Y95.9Very high92.9Very high3 Ų346.6 Ų46.61%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-105.5123.6170.7173.3-91000109.2L20 E21 C22 A47 I49 K96 E116 L137L20-Y114 HydrophobicContact CD2-CD1 4.16Å; L20-Y114 HydrophobicContact CD2-CE1 4.18Å; E21-Y114 CarbonylContact C-O 3.56Å; E21-Y114 WeakPolarHBondContact CA-O 3.33Å; C22-Y114 HydrophobicContact CB-CD1 4.45Å; C22-Y114 PolarHBondContact N-O 2.84Å; C22-Y114 PolarHBondContact O-N 3.39Å; A47-Y114 HydrophobicContact CB-CD2 3.54Å; A47-Y114 HydrophobicContact CB-CE2 3.67Å; A47-Y114 HydrophobicContact CB-CG 4.17Å; I49-Y114 HydrophobicContact CD1-CE1 4.36Å; I49-Y114 HydrophobicContact CG1-CE1 4.36Å; K96-Y114 HydrophobicContact CB-CD2 4.32Å; K96-Y114 HydrophobicContact CB-CE2 4Å; K96-Y114 HydrophobicContact CD-CD2 4.39Å; K96-Y114 HydrophobicContact CD-CE2 3.94Å; K96-Y114 HydrophobicContact CG-CE2 4.4Å; Y114-E116 HydrophobicContact CE1-CB 3.61Å; Y114-E116 HydrophobicContact CE2-CB 4.43Å; Y114-E116 VanDerWaalsContact OH-CB 3.29Å; Y114-E116 WeakPolarHBondContact OH-CB 2.85Å; Y114-L137 HydrophobicContact CD1-CD1 3.89Å; Y114-L137 HydrophobicContact CD1-CD2 4.16Å; Y114-L137 HydrophobicContact CE1-CD1 3.45Å; Y114-L137 VanDerWaalsContact CE1-CD1 3.45Å; Y114-L137 HydrophobicContact CE1-CD2 4.41Å; Y114-L137 HydrophobicContact CE2-CD1 4.44Å
115S94.6Very high93.1Very high40 Ų4047.2 Ų47.228%0.2827%0.271SS..EExtended strand (participates in β ladder)trans-128.3124.1176.5-53.30000110L20 K96L20-S115 VanDerWaalsContact O-CA 3.32Å; L20-S115 WeakPolarHBondContact O-CA 3.28Å; K96-S115 PolarHBondContact NZ-O 2.85Å
116E94.3Very high93.3Very high32 Ų3245.4 Ų45.415%0.1526%0.261CS..EExtended strand (participates in β ladder)trans-148.9145.2178.9-173.860.7-87.400110.9L20 I49 T93 K96 Y114L20-E116 WeakPolarHBondContact CB-O 3.44Å; L20-E116 PolarHBondContact N-O 2.81Å; L20-E116 PolarHBondContact O-N 2.89Å; I49-E116 HydrophobicContact CD1-CB 3.95Å; I49-E116 HydrophobicContact CD1-CG 3.95Å; T93-E116 HydrophobicContact CG2-CG 4.12Å; K96-E116 WeakPolarHBondContact CD-OE2 3.26Å; K96-E116 WeakPolarHBondContact CE-OE2 3.42Å; K96-E116 VanDerWaalsContact NZ-CD 3.26Å; K96-E116 IonicContact NZ-OE1 2.72Å; K96-E116 PolarHBondContact NZ-OE1 3Å; K96-E116 IonicContact NZ-OE2 3.64Å; K96-E116 PolarHBondContact NZ-OE2 3.13Å; Y114-E116 HydrophobicContact CE1-CB 3.61Å; Y114-E116 HydrophobicContact CE2-CB 4.43Å; Y114-E116 VanDerWaalsContact OH-CB 3.29Å; Y114-E116 WeakPolarHBondContact OH-CB 2.85Å
117L93.4Very high93.6Very high97 Ų9754.2 Ų54.251%0.50829%0.292SS..EExtended strand (participates in β ladder)trans-75.5133.2175.3-66175.6000110.2L19 P119L19-L117 HydrophobicContact CB-CD2 4.11Å; L19-L117 HydrophobicContact CD1-CD2 3.96Å; L19-L117 HydrophobicContact CD1-CG 4.48Å; L117-P119 WeakPolarHBondContact O-CD 3.41Å
118V94Very high93.8Very high2 Ų254.4 Ų54.41%0.01230%0.295CS..PPolyproline II helixtrans-64.1126.5172.6178.70000108.5F14 G17 E18 L20 V120 F155 V157F14-V118 HydrophobicContact CB-CG2 3.84Å; F14-V118 HydrophobicContact CG-CG2 4.21Å; G17-V118 VanDerWaalsContact CA-O 3.29Å; G17-V118 WeakPolarHBondContact CA-O 3.47Å; G17-V118 PolarHBondContact N-O 3.38Å; E18-V118 WeakPolarHBondContact O-CG2 3.25Å; E18-V118 PolarHBondContact O-N 2.84Å; L20-V118 HydrophobicContact CB-CG2 4.09Å; L20-V118 HydrophobicContact CD1-CG2 4.47Å; V118-V120 PolarHBondContact O-N 3.29Å; V118-F155 HydrophobicContact CG1-CE2 4.41Å; V118-F155 HydrophobicContact CG2-CE2 4.19Å; V118-V157 HydrophobicContact CG1-CB 4.48Å; V118-V157 HydrophobicContact CG1-CG1 3.89Å; V118-V157 HydrophobicContact CG1-CG2 3.7Å
119P91.5Very high93.9Very high23 Ų2356.7 Ų56.715%0.14931%0.306CS..PPolyproline II helixtrans-57.5132.2-175.7-31.340.7000113.4L91 T93 L117L91-P119 HydrophobicContact CD1-CB 3.68Å; L91-P119 HydrophobicContact CD2-CB 3.43Å; L91-P119 VanDerWaalsContact CD2-CB 3.43Å; L91-P119 HydrophobicContact CD2-CG 3.34Å; L91-P119 HydrophobicContact CG-CB 4.16Å; T93-P119 HydrophobicContact CG2-CG 3.57Å; L117-P119 WeakPolarHBondContact O-CD 3.41Å
120V88.7Confident93.8Very high89 Ų8953.6 Ų53.654%0.53928%0.284SS..SBendtrans-82.6-30-176.1-66.40000113.7G17 V118 G122G17-V120 VanDerWaalsContact CA-CG1 3.45Å; V118-V120 PolarHBondContact O-N 3.29Å; V120-G122 PolarHBondContact O-N 3.15Å
121D85.3Confident93.7Very high157 Ų15750.2 Ų50.284%0.8427%0.269SS*.SBendtrans-80.1-3.6-176.9-55.7-47.6000112.9
122G88.4Confident93.7Very high5 Ų550 Ų505%0.05226%0.262CS..SBendtrans-82.2154.5-176.700000114.1V120 Y135V120-G122 PolarHBondContact O-N 3.15Å; G122-Y135 WeakPolarHBondContact CA-OH 3.22Å
123P94.6Very high93.7Very high20 Ų2047.6 Ų47.613%0.1325%0.253CS..PPolyproline II helixtrans-67.4158.5170.429.9-35000111.2Y133 Y135 T310P123-Y133 HydrophobicContact CB-CD1 4.03Å; P123-Y133 HydrophobicContact CB-CD2 4.24Å; P123-Y133 HydrophobicContact CB-CE1 4.1Å; P123-Y133 HydrophobicContact CB-CE2 4.33Å; P123-Y133 HydrophobicContact CB-CG 4.09Å; P123-Y133 HydrophobicContact CG-CD1 3.34Å; P123-Y133 HydrophobicContact CG-CD2 4.42Å; P123-Y133 HydrophobicContact CG-CE1 3.59Å; P123-Y133 HydrophobicContact CG-CG 3.8Å; P123-Y135 WeakPolarHBondContact CD-OH 3.25Å; P123-Y135 WeakPolarHBondContact O-CE2 3.39Å; P123-Y135 VanDerWaalsContact O-CZ 3.24Å; P123-Y135 PolarHBondContact O-OH 2.82Å; P123-T310 HydrophobicContact CB-CG2 3.82Å
124P96.1Very high93.7Very high3 Ų344.8 Ų44.82%0.01923%0.232CC..PPolyproline II helixtrans-67.4158.7171.329.6-34.7000111.6F126 V159 T305 F308P124-F126 PolarHBondContact O-N 2.69Å; P124-V159 HydrophobicContact CB-CB 4.17Å; P124-V159 HydrophobicContact CB-CG2 3.76Å; P124-V159 HydrophobicContact CG-CG2 4.38Å; P124-T305 HydrophobicContact CB-CG2 3.84Å; P124-T305 HydrophobicContact CG-CG2 3.85Å; P124-F308 HydrophobicContact CG-CB 3.73Å; P124-F308 HydrophobicContact CG-CD1 3.52Å; P124-F308 HydrophobicContact CG-CD2 3.85Å; P124-F308 HydrophobicContact CG-CE1 4.06Å; P124-F308 HydrophobicContact CG-CE2 4.36Å; P124-F308 HydrophobicContact CG-CG 3.41Å; P124-F308 VanDerWaalsContact CG-CG 3.41Å; P124-F308 HydrophobicContact CG-CZ 4.45Å
125S96.4Very high93.7Very high13 Ų1344.7 Ų44.79%0.09123%0.231CC..PPolyproline II helixtrans-62.1122.8167.7-70.50000109.7Y135 R156 V157 T305S125-Y135 WeakPolarHBondContact OG-CD2 3.39Å; S125-R156 WeakPolarHBondContact OG-CA 3.4Å; S125-V157 PolarHBondContact N-O 3.22Å; S125-V157 PolarHBondContact OG-N 2.89Å; S125-T305 WeakPolarHBondContact O-CG2 3.29Å; S125-T305 PolarHBondContact O-OG1 3.3Å
126F96.3Very high93.7Very high21 Ų2144.8 Ų44.89%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-148.8145.1-175.2175.5-114.3000111.2P124 G128 V131 K132 Y133 E262 T305 F308 L315P124-F126 PolarHBondContact O-N 2.69Å; F126-G128 VanDerWaalsContact CE1-CA 3.44Å; F126-V131 HydrophobicContact CD1-CG2 4.03Å; F126-V131 HydrophobicContact CE1-CG2 4.04Å; F126-K132 CarbonylContact O-C 3.59Å; F126-K132 VanDerWaalsContact O-CA 3.29Å; F126-K132 WeakPolarHBondContact O-CA 3.46Å; F126-Y133 HydrophobicContact CB-CD2 4.25Å; F126-Y133 HydrophobicContact CD1-CD2 4.5Å; F126-Y133 PolarHBondContact N-O 2.85Å; F126-Y133 PolarHBondContact O-N 3.06Å; F126-E262 HydrophobicContact CE1-CG 4.46Å; F126-E262 HydrophobicContact CZ-CG 4.43Å; F126-T305 HydrophobicContact CB-CG2 4.24Å; F126-T305 HydrophobicContact CD2-CG2 4.31Å; F126-F308 HydrophobicContact CB-CE1 3.83Å; F126-F308 HydrophobicContact CB-CZ 3.89Å; F126-F308 AromaticContact CD1-CE1 3.89Å; F126-F308 HydrophobicContact CD1-CE1 3.89Å; F126-F308 AromaticContact CD1-CZ 3.55Å; F126-F308 HydrophobicContact CD1-CZ 3.55Å; F126-F308 AromaticContact CD2-CE1 3.82Å; F126-F308 HydrophobicContact CD2-CE1 3.82Å; F126-F308 HydrophobicContact CD2-CZ 4.34Å; F126-F308 HydrophobicContact CE1-CE1 4.37Å; F126-F308 HydrophobicContact CE1-CZ 4.1Å; F126-F308 HydrophobicContact CE2-CE1 4.33Å; F126-F308 AromaticContact CG-CE1 3.56Å; F126-F308 HydrophobicContact CG-CE1 3.56Å; F126-F308 AromaticContact CG-CZ 3.66Å; F126-F308 HydrophobicContact CG-CZ 3.66Å; F126-L315 HydrophobicContact CD2-CD2 4.04Å; F126-L315 HydrophobicContact CE2-CD1 3.92Å; F126-L315 HydrophobicContact CE2-CD2 3.64Å; F126-L315 HydrophobicContact CE2-CG 4.35Å; F126-L315 HydrophobicContact CZ-CD1 3.86Å; F126-L315 HydrophobicContact CZ-CD2 4.29Å
127R95.1Very high93.8Very high195 Ų19543.2 Ų43.274%0.73622%0.22SC*.EExtended strand (participates in β ladder)trans-133.787.8175.4-174.6179.4-174.1178.2-0.9109.1K132R127-K132 HydrophobicContact CB-CG 4.26Å; R127-K132 HydrophobicContact CG-CD 4.37Å; R127-K132 HydrophobicContact CG-CG 4.14Å
128G93.8Very high93.9Very high24 Ų2438.6 Ų38.625%0.24720%0.196CC..  trans-94.2-168.6175.700000113F126 V131F126-G128 VanDerWaalsContact CE1-CA 3.44Å; G128-V131 WeakPolarHBondContact CA-O 3.44Å; G128-V131 PolarHBondContact N-O 2.97Å
129Q93.4Very high94.1Very high108 Ų10838.5 Ų38.551%0.50520%0.195SC..SBendtrans-87.2-32174.3-60.5-65.6-30.200111.6R59 E262R59-Q129 VanDerWaalsContact NH1-CB 3.33Å; Q129-E262 WeakPolarHBondContact CB-OE2 3.29Å; Q129-E262 PolarHBondContact N-OE2 2.84Å
130A93.1Very high94.2Very high1 Ų137.4 Ų37.41%0.00819%0.188CC..SBendtrans-91.7-41.6179.200000111.7S56 R59 V60 E262 I264 V313S56-A130 WeakPolarHBondContact CB-O 3.37Å; S56-A130 PolarHBondContact N-O 2.81Å; R59-A130 HydrophobicContact CB-CB 4.46Å; V60-A130 HydrophobicContact CG2-CB 3.94Å; A130-E262 WeakPolarHBondContact CA-OE1 3.41Å; A130-E262 HydrophobicContact CB-CG 4.41Å; A130-E262 VanDerWaalsContact CB-OE1 3.24Å; A130-E262 WeakPolarHBondContact CB-OE1 3.32Å; A130-E262 PolarHBondContact N-OE1 2.77Å; A130-E262 PolarHBondContact N-OE2 3.05Å; A130-I264 HydrophobicContact CB-CD1 3.58Å; A130-I264 HydrophobicContact CB-CG1 3.68Å; A130-V313 HydrophobicContact CB-CG1 4.34Å
131V95.2Very high94.4Very high4 Ų433.2 Ų33.22%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-137.3161.3-177-580000114.1F53 H54 V60 F126 G128 Y133 E262 I312 V313F53-V131 HydrophobicContact CE2-CB 3.72Å; F53-V131 HydrophobicContact CE2-CG1 3.61Å; F53-V131 HydrophobicContact CZ-CG1 3.95Å; H54-V131 CarbonylContact O-C 3.52Å; H54-V131 VanDerWaalsContact O-CA 3.25Å; H54-V131 WeakPolarHBondContact O-CA 3.29Å; V60-V131 HydrophobicContact CG2-CG1 4.24Å; F126-V131 HydrophobicContact CD1-CG2 4.03Å; F126-V131 HydrophobicContact CE1-CG2 4.04Å; G128-V131 WeakPolarHBondContact CA-O 3.44Å; G128-V131 PolarHBondContact N-O 2.97Å; V131-Y133 HydrophobicContact CB-CE2 4.33Å; V131-Y133 HydrophobicContact CG2-CD2 4.34Å; V131-Y133 HydrophobicContact CG2-CE2 3.67Å; V131-E262 PolarHBondContact N-OE1 2.85Å; V131-E262 VanDerWaalsContact N-OE1 3.15Å; V131-I312 HydrophobicContact CG1-CG2 4.13Å; V131-V313 HydrophobicContact CB-CG1 4.42Å; V131-V313 HydrophobicContact CG1-CG1 3.72Å; V131-V313 HydrophobicContact CG2-CB 4.24Å; V131-V313 HydrophobicContact CG2-CG1 3.81Å; V131-V313 HydrophobicContact CG2-CG2 3.41Å; V131-V313 VanDerWaalsContact CG2-CG2 3.41Å
132K95.6Very high94.7Very high72 Ų7227.1 Ų27.131%0.31313%0.129SC..EExtended strand (participates in β ladder)trans-140.6129.9174.4-172.2-168.5-175.7-1630110.3F53 H54 F126 R127 V134F53-K132 CarbonylContact C-O 3.57Å; F53-K132 WeakPolarHBondContact CA-O 3.5Å; H54-K132 HydrophobicContact CB-CB 4.21Å; H54-K132 PolarHBondContact N-O 3.21Å; H54-K132 PolarHBondContact O-N 2.82Å; F126-K132 CarbonylContact O-C 3.59Å; F126-K132 VanDerWaalsContact O-CA 3.29Å; F126-K132 WeakPolarHBondContact O-CA 3.46Å; R127-K132 HydrophobicContact CB-CG 4.26Å; R127-K132 HydrophobicContact CG-CD 4.37Å; R127-K132 HydrophobicContact CG-CG 4.14Å; K132-V134 HydrophobicContact CD-CG2 3.8Å; K132-V134 HydrophobicContact CG-CG2 3.78Å
133Y96.3Very high94.8Very high13 Ų1331 Ų315%0.05114%0.142CC..EExtended strand (participates in β ladder)trans-115.7123.2173.8-61-80000109.3Q52 F53 V90 P123 F126 V131 F308 T310Q52-Y133 CarbonylContact O-C 3.58Å; Q52-Y133 WeakPolarHBondContact O-CA 3.39Å; F53-Y133 HydrophobicContact CB-CD1 4.22Å; F53-Y133 HydrophobicContact CB-CE1 4.2Å; F53-Y133 AromaticContact CD2-CD1 3.71Å; F53-Y133 HydrophobicContact CD2-CD1 3.71Å; F53-Y133 AromaticContact CD2-CE1 3.19Å; F53-Y133 HydrophobicContact CD2-CE1 3.19Å; F53-Y133 HydrophobicContact CD2-CE2 4.42Å; F53-Y133 AromaticContact CD2-CZ 3.6Å; F53-Y133 AromaticContact CE2-CE1 3.77Å; F53-Y133 HydrophobicContact CE2-CE1 3.77Å; F53-Y133 HydrophobicContact CE2-CE2 4.46Å; F53-Y133 AromaticContact CE2-CZ 3.68Å; F53-Y133 HydrophobicContact CG-CD1 4.4Å; F53-Y133 AromaticContact CG-CE1 3.98Å; F53-Y133 HydrophobicContact CG-CE1 3.98Å; V90-Y133 HydrophobicContact CG2-CD1 4.5Å; P123-Y133 HydrophobicContact CB-CD1 4.03Å; P123-Y133 HydrophobicContact CB-CD2 4.24Å; P123-Y133 HydrophobicContact CB-CE1 4.1Å; P123-Y133 HydrophobicContact CB-CE2 4.33Å; P123-Y133 HydrophobicContact CB-CG 4.09Å; P123-Y133 HydrophobicContact CG-CD1 3.34Å; P123-Y133 HydrophobicContact CG-CD2 4.42Å; P123-Y133 HydrophobicContact CG-CE1 3.59Å; P123-Y133 HydrophobicContact CG-CG 3.8Å; F126-Y133 HydrophobicContact CB-CD2 4.25Å; F126-Y133 HydrophobicContact CD1-CD2 4.5Å; F126-Y133 PolarHBondContact N-O 2.85Å; F126-Y133 PolarHBondContact O-N 3.06Å; V131-Y133 HydrophobicContact CB-CE2 4.33Å; V131-Y133 HydrophobicContact CG2-CD2 4.34Å; V131-Y133 HydrophobicContact CG2-CE2 3.67Å; Y133-F308 HydrophobicContact CE2-CE2 4.28Å; Y133-F308 HydrophobicContact CE2-CZ 4.45Å; Y133-T310 HydrophobicContact CE2-CG2 4.44Å
134V95.8Very high94.4Very high19 Ų1932.5 Ų32.512%0.11515%0.15CC..EExtended strand (participates in β ladder)trans-129.7116.5-174.8-171.60000110.4C51 Q52 K132 K136C51-V134 WeakPolarHBondContact CA-O 3.49Å; Q52-V134 HydrophobicContact CB-CB 4.5Å; Q52-V134 PolarHBondContact N-O 2.78Å; Q52-V134 PolarHBondContact O-N 2.89Å; K132-V134 HydrophobicContact CD-CG2 3.8Å; K132-V134 HydrophobicContact CG-CG2 3.78Å; V134-K136 HydrophobicContact CG1-CG 4.25Å
135Y95.9Very high93.8Very high0 Ų040.3 Ų40.30%019%0.192CC..EExtended strand (participates in β ladder)trans-90.3139.1174.6-73.7-99.4000111.4I49 H50 C51 G122 P123 S125 P154 F155 V157I49-Y135 HydrophobicContact CG2-CD1 4.45Å; H50-Y135 WeakPolarHBondContact O-CA 3.45Å; C51-Y135 HydrophobicContact CB-CD1 3.89Å; C51-Y135 HydrophobicContact CB-CD2 4.36Å; C51-Y135 HydrophobicContact CB-CE1 3.58Å; C51-Y135 HydrophobicContact CB-CE2 4.1Å; C51-Y135 HydrophobicContact CB-CG 4.28Å; C51-Y135 WeakPolarHBondContact SG-CE2 3.29Å; C51-Y135 VanDerWaalsContact SG-CZ 3.53Å; G122-Y135 WeakPolarHBondContact CA-OH 3.22Å; P123-Y135 WeakPolarHBondContact CD-OH 3.25Å; P123-Y135 WeakPolarHBondContact O-CE2 3.39Å; P123-Y135 VanDerWaalsContact O-CZ 3.24Å; P123-Y135 PolarHBondContact O-OH 2.82Å; S125-Y135 WeakPolarHBondContact OG-CD2 3.39Å; Y135-P154 WeakPolarHBondContact O-CA 3.29Å; Y135-F155 HydrophobicContact CD1-CE2 4.45Å; Y135-F155 HydrophobicContact CD1-CZ 4.25Å; Y135-F155 HydrophobicContact CG-CE2 4.43Å; Y135-F155 HydrophobicContact CG-CZ 4.45Å; Y135-F155 PolarHBondContact O-N 3.17Å; Y135-F155 VanDerWaalsContact O-N 3.09Å; Y135-V157 HydrophobicContact CD1-CG2 3.66Å; Y135-V157 HydrophobicContact CD2-CB 3.93Å; Y135-V157 HydrophobicContact CD2-CG2 3.64Å; Y135-V157 HydrophobicContact CE1-CG2 4.02Å; Y135-V157 HydrophobicContact CE2-CB 3.96Å; Y135-V157 HydrophobicContact CE2-CG2 3.99Å; Y135-V157 HydrophobicContact CG-CB 4.26Å; Y135-V157 HydrophobicContact CG-CG2 3.45Å; Y135-V157 VanDerWaalsContact CG-CG2 3.45Å
136K95.6Very high93.4Very high42 Ų4241.4 Ų41.418%0.18320%0.2CC..EExtended strand (participates in β ladder)trans-142.1140.2177.5-59-178.8-177.2-179.70109.9I49 H50 E85 V134 R152 V153 P154I49-K136 WeakPolarHBondContact CA-O 3.24Å; H50-K136 PolarHBondContact N-O 2.99Å; H50-K136 PolarHBondContact ND1-O 2.99Å; H50-K136 PolarHBondContact O-N 3.41Å; E85-K136 IonicContact OE1-NZ 3.63Å; E85-K136 PolarHBondContact OE1-NZ 2.81Å; V134-K136 HydrophobicContact CG1-CG 4.25Å; K136-R152 HydrophobicContact CD-CB 4.38Å; K136-V153 WeakPolarHBondContact CA-O 3.39Å; K136-P154 HydrophobicContact CG-CB 4.36Å
137L96.1Very high93Very high0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans-87.9119.5159.5173.263.3000107.2M8 L20 C22 A47 I49 Y114 I139 R152 V153 F155M8-L137 HydrophobicContact CE-CB 4.09Å; M8-L137 HydrophobicContact CE-CD2 4.29Å; L20-L137 HydrophobicContact CD2-CD2 4.08Å; C22-L137 HydrophobicContact CB-CD2 3.58Å; A47-L137 HydrophobicContact CB-CD1 4.24Å; I49-L137 HydrophobicContact CG1-CD1 4.13Å; Y114-L137 HydrophobicContact CD1-CD1 3.89Å; Y114-L137 HydrophobicContact CD1-CD2 4.16Å; Y114-L137 HydrophobicContact CE1-CD1 3.45Å; Y114-L137 VanDerWaalsContact CE1-CD1 3.45Å; Y114-L137 HydrophobicContact CE1-CD2 4.41Å; Y114-L137 HydrophobicContact CE2-CD1 4.44Å; L137-I139 HydrophobicContact CD2-CD1 4.26Å; L137-I139 HydrophobicContact CG-CD1 4Å; L137-R152 CarbonylContact O-C 3.56Å; L137-R152 WeakPolarHBondContact O-CA 3.29Å; L137-V153 HydrophobicContact CB-CB 4.33Å; L137-V153 PolarHBondContact N-O 3.04Å; L137-V153 PolarHBondContact O-N 3.29Å; L137-F155 HydrophobicContact CB-CE1 4.36Å
138T95.9Very high92.7Very high0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-109.6119.4178.4-57.40000110.2A47 Q48 H50 P81 L150 L151 R152A47-T138 VanDerWaalsContact CA-O 3.29Å; A47-T138 WeakPolarHBondContact CA-O 3.45Å; Q48-T138 PolarHBondContact N-O 2.81Å; Q48-T138 PolarHBondContact O-N 3.07Å; H50-T138 PolarHBondContact CE1-OG1 2.86Å; H50-T138 PolarHBondContact ND1-OG1 3.45Å; H50-T138 VanDerWaalsContact ND1-OG1 3.12Å; P81-T138 HydrophobicContact CB-CG2 4.4Å; T138-L150 HydrophobicContact CG2-CB 4.15Å; T138-L150 HydrophobicContact CG2-CD2 4.14Å; T138-L151 CarbonylContact C-O 3.54Å; T138-L151 WeakPolarHBondContact CA-O 3.35Å; T138-R152 HydrophobicContact CG2-CG 4.14Å
139I96.3Very high92.6Very high0 Ų039.5 Ų39.50%020%0.201CC..EExtended strand (participates in β ladder)trans-100.6111.5170.9-52.182.2000106.6A6 I24 F26 S46 A47 L98 L137 L150 L151 V153A6-I139 HydrophobicContact CB-CD1 3.77Å; I24-I139 HydrophobicContact CD1-CG1 3.67Å; I24-I139 HydrophobicContact CG1-CG1 4.23Å; I24-I139 HydrophobicContact CG2-CG1 4.46Å; I24-I139 HydrophobicContact CG2-CG2 4.31Å; F26-I139 HydrophobicContact CZ-CG2 4.47Å; S46-I139 CarbonylContact O-C 3.59Å; S46-I139 WeakPolarHBondContact O-CA 3.48Å; A47-I139 HydrophobicContact CB-CG1 4.1Å; L98-I139 HydrophobicContact CD1-CG2 4.13Å; L137-I139 HydrophobicContact CD2-CD1 4.26Å; L137-I139 HydrophobicContact CG-CD1 4Å; I139-L150 WeakPolarHBondContact O-CA 3.42Å; I139-L151 HydrophobicContact CB-CB 4.24Å; I139-L151 HydrophobicContact CD1-CB 4.44Å; I139-L151 HydrophobicContact CD1-CD2 4.26Å; I139-L151 HydrophobicContact CD1-CG 4.26Å; I139-L151 PolarHBondContact N-O 2.8Å; I139-L151 PolarHBondContact O-N 2.89Å; I139-V153 HydrophobicContact CD1-CG2 3.97Å
140G94.8Very high92.7Very high0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-98.7142167.600000111.1W44 A45 S46 L79 K149W44-G140 WeakPolarHBondContact CZ3-O 3.36Å; A45-G140 CarbonylContact C-O 3.36Å; A45-G140 VanDerWaalsContact CA-O 3.28Å; A45-G140 WeakPolarHBondContact CA-O 3.29Å; S46-G140 PolarHBondContact N-O 2.86Å; S46-G140 PolarHBondContact O-N 2.84Å; L79-G140 VanDerWaalsContact CD1-CA 3.46Å; G140-K149 WeakPolarHBondContact CA-O 3.39Å
141C93.3Very high92.8Very high1 Ų136 Ų361%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-143.6148.3-17952.10000109.3F26 W44 A45 K149 I386F26-C141 HydrophobicContact CE1-CB 4.3Å; W44-C141 WeakPolarHBondContact O-CA 3.39Å; A45-C141 HydrophobicContact CB-CB 4.01Å; C141-K149 PolarHBondContact N-O 2.95Å; C141-K149 PolarHBondContact O-N 3.22Å; C141-I386 HydrophobicContact CB-CD1 4.2Å; C141-I386 VanDerWaalsContact SG-CD1 3.51Å
142Q91.6Very high92.7Very high28 Ų2838.9 Ų38.913%0.13120%0.196CC..EExtended strand (participates in β ladder)trans-126.9120.2178.6-174.4169.833.700109.5L42 A43 W44 S146 I148L42-Q142 CarbonylContact C-O 3.58Å; L42-Q142 WeakPolarHBondContact CA-O 3.37Å; A43-Q142 PolarHBondContact N-O 3.2Å; W44-Q142 HydrophobicContact CD2-CB 4.29Å; W44-Q142 HydrophobicContact CZ2-CB 3.95Å; W44-Q142 PolarHBondContact O-N 2.96Å; W44-Q142 VanDerWaalsContact O-N 3.08Å; Q142-S146 WeakPolarHBondContact CG-O 3.32Å; Q142-S146 PolarHBondContact NE2-O 2.83Å; Q142-S146 VanDerWaalsContact NE2-O 3.08Å; Q142-I148 HydrophobicContact CB-CG1 4.4Å
143R89.5Confident92.7Very high88 Ų8835.5 Ų35.533%0.33218%0.181SC..EExtended strand (participates in β ladder)trans-74.9143.7163.8-179.1-168.2146.5125.64.1108.7E40 M41 L42 N145 S146E40-R143 IonicContact OE1-CZ 3.71Å; E40-R143 IonicContact OE1-NH1 2.73Å; E40-R143 PolarHBondContact OE1-NH1 3.03Å; E40-R143 IonicContact OE2-CZ 3.96Å; E40-R143 IonicContact OE2-NH1 3.09Å; E40-R143 PolarHBondContact OE2-NH1 2.9Å; M41-R143 WeakPolarHBondContact O-CG 3.36Å; L42-R143 HydrophobicContact CD2-CB 4.06Å; R143-N145 PolarHBondContact O-N 3.19Å; R143-S146 WeakPolarHBondContact O-CB 3.34Å; R143-S146 PolarHBondContact O-N 2.8Å
144V85.7Confident92.7Very high50 Ų5036 Ų3630%0.30319%0.186SC..THydrogen-bonded Turntrans-53.2131.2175.8-179.20000110M41 A43 S146M41-V144 HydrophobicContact CB-CG2 3.98Å; M41-V144 HydrophobicContact CG-CG2 3.67Å; M41-V144 PolarHBondContact O-N 2.78Å; M41-V144 HydrophobicContact SD-CG2 3.93Å; A43-V144 HydrophobicContact CB-CG2 4.23Å; V144-S146 VanDerWaalsContact C-N 3.26Å; V144-S146 PolarHBondContact O-N 3.4Å
145N84.5Confident92.7Very high167 Ų16735.1 Ų35.189%0.89318%0.181SC*.THydrogen-bonded Turntrans59.129.2-176.2-54.8-35.7000114.6R143R143-N145 PolarHBondContact O-N 3.19Å
146S87.3Confident92.7Very high36 Ų3636.1 Ų36.125%0.25219%0.185SC..SBendtrans-132.3155.7177.8-60.20000111.3Q142 R143 V144Q142-S146 WeakPolarHBondContact CG-O 3.32Å; Q142-S146 PolarHBondContact NE2-O 2.83Å; Q142-S146 VanDerWaalsContact NE2-O 3.08Å; R143-S146 WeakPolarHBondContact O-CB 3.34Å; R143-S146 PolarHBondContact O-N 2.8Å; V144-S146 VanDerWaalsContact C-N 3.26Å; V144-S146 PolarHBondContact O-N 3.4Å
147P88.3Confident92.7Very high103 Ų10334.1 Ų34.167%0.66918%0.176SC*.  trans-66.2155.4174.528.5-35.3000111.3K149P147-K149 PolarHBondContact O-N 2.78Å
148I89.4Confident92.6Very high23 Ų2334.1 Ų34.112%0.11818%0.176CC..  trans-61131.6174-57.1172.3000109.5W44 D76 V78 Q142 L150W44-I148 HydrophobicContact CH2-CD1 3.9Å; W44-I148 HydrophobicContact CH2-CG1 4.13Å; W44-I148 HydrophobicContact CH2-CG2 3.97Å; W44-I148 HydrophobicContact CZ2-CD1 3.6Å; W44-I148 HydrophobicContact CZ2-CG1 3.71Å; W44-I148 HydrophobicContact CZ2-CG2 4.38Å; D76-I148 WeakPolarHBondContact O-CD1 3.26Å; D76-I148 WeakPolarHBondContact O-CG1 3.32Å; V78-I148 WeakPolarHBondContact O-CD1 3.36Å; Q142-I148 HydrophobicContact CB-CG1 4.4Å; I148-L150 HydrophobicContact CG2-CD2 3.81Å; I148-L150 HydrophobicContact CG2-CG 4.48Å
149K92Very high92.5Very high75 Ų7535 Ų3533%0.32618%0.182SC..EExtended strand (participates in β ladder)trans-110.2142.5168.7-74.3-177.7174.8179.30110G140 C141 P147 I384 N385 I386G140-K149 WeakPolarHBondContact CA-O 3.39Å; C141-K149 PolarHBondContact N-O 2.95Å; C141-K149 PolarHBondContact O-N 3.22Å; P147-K149 PolarHBondContact O-N 2.78Å; K149-I384 HydrophobicContact CB-CD1 4.38Å; K149-N385 PolarHBondContact NZ-O 2.7Å; K149-N385 VanDerWaalsContact NZ-O 3.09Å; K149-I386 HydrophobicContact CB-CB 4.45Å; K149-I386 HydrophobicContact CB-CG2 3.66Å; K149-I386 HydrophobicContact CD-CB 3.67Å; K149-I386 HydrophobicContact CD-CG2 3.49Å; K149-I386 VanDerWaalsContact CD-CG2 3.49Å; K149-I386 HydrophobicContact CG-CG2 4.22Å; K149-I386 PolarHBondContact NZ-OXT 3.29Å
150L93.7Very high92Very high28 Ų2837.6 Ų37.615%0.14720%0.195CC..EExtended strand (participates in β ladder)trans-118.1115.4-175-58.5179.8000110L79 R83 T138 I139 I148 R152L79-L150 HydrophobicContact CD1-CD2 3.57Å; R83-L150 HydrophobicContact CB-CD1 4.02Å; T138-L150 HydrophobicContact CG2-CB 4.15Å; T138-L150 HydrophobicContact CG2-CD2 4.14Å; I139-L150 WeakPolarHBondContact O-CA 3.42Å; I148-L150 HydrophobicContact CG2-CD2 3.81Å; I148-L150 HydrophobicContact CG2-CG 4.48Å; L150-R152 VanDerWaalsContact CD1-NH2 3.33Å
151L95.2Very high91Very high7 Ų740.8 Ų40.84%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-87.3127.8165.2178.458.5000108.7V4 A6 T138 I139 N382 I384V4-L151 HydrophobicContact CB-CD2 4.43Å; V4-L151 HydrophobicContact CG1-CD2 3.94Å; A6-L151 HydrophobicContact CB-CD2 3.64Å; T138-L151 CarbonylContact C-O 3.54Å; T138-L151 WeakPolarHBondContact CA-O 3.35Å; I139-L151 HydrophobicContact CB-CB 4.24Å; I139-L151 HydrophobicContact CD1-CB 4.44Å; I139-L151 HydrophobicContact CD1-CD2 4.26Å; I139-L151 HydrophobicContact CD1-CG 4.26Å; I139-L151 PolarHBondContact N-O 2.8Å; I139-L151 PolarHBondContact O-N 2.89Å; L151-N382 HydrophobicContact CD1-CB 3.85Å; L151-I384 HydrophobicContact CB-CG2 3.72Å; L151-I384 HydrophobicContact CD1-CB 4.09Å; L151-I384 HydrophobicContact CD1-CG2 4.03Å; L151-I384 HydrophobicContact CD2-CG2 4.39Å; L151-I384 HydrophobicContact CG-CG2 4.26Å
152R94.4Very high89.4Confident65 Ų6543.9 Ų43.925%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-118.6124.3179.7-66.7177.6172108-2.4109.7P81 R83 E85 K136 L137 T138 L150 N382P81-R152 PolarHBondContact O-NH2 3.03Å; R83-R152 PolarHBondContact O-NH2 3.24Å; E85-R152 IonicContact OE1-NE 3.87Å; E85-R152 IonicContact OE2-NE 2.66Å; K136-R152 HydrophobicContact CD-CB 4.38Å; L137-R152 CarbonylContact O-C 3.56Å; L137-R152 WeakPolarHBondContact O-CA 3.29Å; T138-R152 HydrophobicContact CG2-CG 4.14Å; L150-R152 VanDerWaalsContact CD1-NH2 3.33Å; R152-N382 PolarHBondContact O-ND2 2.63Å
153V95.6Very high87.8Confident0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-111.4101.9176.1-163.50000108.1A6 M8 K136 L137 I139 N382A6-V153 HydrophobicContact CB-CG2 3.63Å; M8-V153 HydrophobicContact CE-CB 3.94Å; M8-V153 HydrophobicContact CE-CG1 3.6Å; M8-V153 HydrophobicContact SD-CG1 4.24Å; K136-V153 WeakPolarHBondContact CA-O 3.39Å; L137-V153 HydrophobicContact CB-CB 4.33Å; L137-V153 PolarHBondContact N-O 3.04Å; L137-V153 PolarHBondContact O-N 3.29Å; I139-V153 HydrophobicContact CD1-CG2 3.97Å; V153-N382 HydrophobicContact CG2-CB 4.26Å
154P95.5Very high85.9Confident24 Ų2445 Ų4516%0.15626%0.26CS..EExtended strand (participates in β ladder)trans-71.4142.5178.230.7-34000110.8Y135 K136 F378 N382Y135-P154 WeakPolarHBondContact O-CA 3.29Å; K136-P154 HydrophobicContact CG-CB 4.36Å; P154-F378 HydrophobicContact CB-CD1 3.84Å; P154-F378 HydrophobicContact CB-CE1 3.63Å; P154-F378 HydrophobicContact CB-CE2 4.45Å; P154-F378 HydrophobicContact CB-CG 4.35Å; P154-F378 HydrophobicContact CB-CZ 3.96Å; P154-F378 HydrophobicContact CG-CD1 3.47Å; P154-F378 VanDerWaalsContact CG-CD1 3.47Å; P154-F378 HydrophobicContact CG-CE1 3.66Å; P154-F378 HydrophobicContact CG-CG 4.15Å; P154-F378 HydrophobicContact CG-CZ 4.46Å; P154-N382 WeakPolarHBondContact CD-ND2 3.48Å
155F95.8Very high84.1Confident1 Ų150.4 Ų50.40%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-142.4166.2174.467.9-87.2000110.5M8 P12 F14 L20 I49 V118 Y135 L137 V157M8-F155 HydrophobicContact CE-CB 4Å; M8-F155 HydrophobicContact CE-CD1 3.9Å; M8-F155 HydrophobicContact CE-CG 4.23Å; M8-F155 HydrophobicContact SD-CB 4.08Å; P12-F155 HydrophobicContact CB-CB 4.48Å; P12-F155 CarbonylContact O-C 3.49Å; P12-F155 VanDerWaalsContact O-CA 3.3Å; P12-F155 WeakPolarHBondContact O-CA 3.42Å; P12-F155 VanDerWaalsContact O-CB 3.28Å; P12-F155 WeakPolarHBondContact O-CB 3.4Å; F14-F155 HydrophobicContact CD2-CB 4.39Å; F14-F155 AromaticContact CD2-CD2 3.77Å; F14-F155 HydrophobicContact CD2-CD2 3.77Å; F14-F155 HydrophobicContact CD2-CE2 4.4Å; F14-F155 HydrophobicContact CD2-CG 4.36Å; F14-F155 HydrophobicContact CE2-CB 4.4Å; F14-F155 HydrophobicContact CE2-CD2 4.41Å; L20-F155 HydrophobicContact CD1-CD1 4.06Å; L20-F155 HydrophobicContact CD1-CD2 4.16Å; L20-F155 HydrophobicContact CD1-CE1 3.82Å; L20-F155 HydrophobicContact CD1-CE2 3.9Å; L20-F155 HydrophobicContact CD1-CG 4.21Å; L20-F155 HydrophobicContact CD1-CZ 3.73Å; I49-F155 HydrophobicContact CD1-CZ 4.41Å; I49-F155 HydrophobicContact CG1-CE1 4.39Å; I49-F155 HydrophobicContact CG1-CZ 4.31Å; I49-F155 HydrophobicContact CG2-CE1 4.11Å; I49-F155 HydrophobicContact CG2-CZ 3.66Å; V118-F155 HydrophobicContact CG1-CE2 4.41Å; V118-F155 HydrophobicContact CG2-CE2 4.19Å; Y135-F155 HydrophobicContact CD1-CE2 4.45Å; Y135-F155 HydrophobicContact CD1-CZ 4.25Å; Y135-F155 HydrophobicContact CG-CE2 4.43Å; Y135-F155 HydrophobicContact CG-CZ 4.45Å; Y135-F155 PolarHBondContact O-N 3.17Å; Y135-F155 VanDerWaalsContact O-N 3.09Å; L137-F155 HydrophobicContact CB-CE1 4.36Å; F155-V157 HydrophobicContact CD2-CG2 3.88Å; F155-V157 HydrophobicContact CE2-CG2 3.42Å; F155-V157 VanDerWaalsContact CE2-CG2 3.42Å; F155-V157 HydrophobicContact CZ-CG2 4.39Å
156R95.9Very high82.3Confident20 Ų2046.8 Ų46.88%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-109127.7-176.2-170.7-177.2174.9-156.1-6.8109.8P12 V13 F14 S125 L302 N303 V304P12-R156 PolarHBondContact O-N 2.86Å; V13-R156 CarbonylContact C-O 3.53Å; V13-R156 VanDerWaalsContact CA-O 3.32Å; V13-R156 WeakPolarHBondContact CA-O 2.96Å; V13-R156 HydrophobicContact CB-CB 4.45Å; V13-R156 HydrophobicContact CG1-CB 4.18Å; V13-R156 HydrophobicContact CG1-CG 4.42Å; V13-R156 HydrophobicContact CG2-CB 4.05Å; F14-R156 PolarHBondContact N-O 2.85Å; S125-R156 WeakPolarHBondContact OG-CA 3.4Å; R156-L302 PolarHBondContact NH1-O 2.84Å; R156-N303 PolarHBondContact NH2-O 3.05Å; R156-V304 PolarHBondContact NH2-O 2.8Å
157V95.9Very high80.1Confident0 Ų050.6 Ų50.60%029%0.291CS..EExtended strand (participates in β ladder)trans-103128.3175-179.70000109.5F14 A16 V118 S125 Y135 F155 V159F14-V157 CarbonylContact O-C 3.6Å; F14-V157 WeakPolarHBondContact O-CA 3.38Å; A16-V157 HydrophobicContact CB-CG1 4.15Å; V118-V157 HydrophobicContact CG1-CB 4.48Å; V118-V157 HydrophobicContact CG1-CG1 3.89Å; V118-V157 HydrophobicContact CG1-CG2 3.7Å; S125-V157 PolarHBondContact N-O 3.22Å; S125-V157 PolarHBondContact OG-N 2.89Å; Y135-V157 HydrophobicContact CD1-CG2 3.66Å; Y135-V157 HydrophobicContact CD2-CB 3.93Å; Y135-V157 HydrophobicContact CD2-CG2 3.64Å; Y135-V157 HydrophobicContact CE1-CG2 4.02Å; Y135-V157 HydrophobicContact CE2-CB 3.96Å; Y135-V157 HydrophobicContact CE2-CG2 3.99Å; Y135-V157 HydrophobicContact CG-CB 4.26Å; Y135-V157 HydrophobicContact CG-CG2 3.45Å; Y135-V157 VanDerWaalsContact CG-CG2 3.45Å; F155-V157 HydrophobicContact CD2-CG2 3.88Å; F155-V157 HydrophobicContact CE2-CG2 3.42Å; F155-V157 VanDerWaalsContact CE2-CG2 3.42Å; F155-V157 HydrophobicContact CZ-CG2 4.39Å; V157-V159 HydrophobicContact CG1-CG2 4.22Å
158L94.9Very high77.8Confident0 Ų053.9 Ų53.90%030%0.295CS..EExtended strand (participates in β ladder)trans-101141.6167.7-61.4-179.2000108.6V13 F14 L15 A16 L234 P366 A372V13-L158 HydrophobicContact CG1-CD1 4.04Å; V13-L158 HydrophobicContact CG1-CG 4.04Å; F14-L158 PolarHBondContact O-N 3.05Å; L15-L158 CarbonylContact C-O 3.51Å; L15-L158 WeakPolarHBondContact CA-O 3.29Å; L15-L158 HydrophobicContact CD2-CB 3.72Å; L15-L158 HydrophobicContact CG-CB 4.37Å; A16-L158 PolarHBondContact N-O 2.81Å; L158-L234 HydrophobicContact CD2-CD1 4.37Å; L158-P366 HydrophobicContact CB-CB 4.02Å; L158-P366 HydrophobicContact CD1-CB 4.15Å; L158-A372 HydrophobicContact CD1-CB 4.29Å
159V92.3Very high75.6Confident20 Ų2058.3 Ų58.312%0.12133%0.326CS..  trans-122.4135.4179-176.50000109.1A16 P124 V157 Q161A16-V159 HydrophobicContact CB-CG2 4.02Å; P124-V159 HydrophobicContact CB-CB 4.17Å; P124-V159 HydrophobicContact CB-CG2 3.76Å; P124-V159 HydrophobicContact CG-CG2 4.38Å; V157-V159 HydrophobicContact CG1-CG2 4.22Å; V159-Q161 HydrophobicContact CG1-CG 3.85Å; V159-Q161 PolarHBondContact O-N 2.87Å
160L86.7Confident73.2Confident53 Ų5363.3 Ų63.328%0.27735%0.35SS..  trans-93.687.9173.7-167.6111.9000109.3M163 M200 L201 P366L160-M163 HydrophobicContact CD2-CB 4.28Å; L160-M163 HydrophobicContact CD2-CG 4.08Å; L160-M163 HydrophobicContact CG-CG 4.34Å; L160-M200 HydrophobicContact CD2-SD 3.97Å; L160-L201 HydrophobicContact CD1-CD1 3.81Å; L160-L201 HydrophobicContact CD1-CD2 3.48Å; L160-L201 VanDerWaalsContact CD1-CD2 3.48Å; L160-L201 HydrophobicContact CD1-CG 3.5Å; L160-L201 VanDerWaalsContact CD1-CG 3.5Å; L160-P366 HydrophobicContact CB-CG 4.41Å; L160-P366 HydrophobicContact CD1-CG 4.02Å
161Q73.5Confident70.8Confident68 Ų6868.9 Ų68.932%0.31838%0.38SS..  trans-91.7137.8-179.3-87.3-173.3-1800113.5V159 F308 S309V159-Q161 HydrophobicContact CG1-CG 3.85Å; V159-Q161 PolarHBondContact O-N 2.87Å; Q161-F308 VanDerWaalsContact OE1-CB 3.3Å; Q161-S309 PolarHBondContact NE2-O 2.94Å; Q161-S309 VanDerWaalsContact NE2-O 3.07Å
162G60Low68.5Low65 Ų6577.4 Ų77.467%0.6742%0.42SS*.SBendtrans65.64716200000113.7K363G162-K363 PolarHBondContact O-NZ 2.89Å
163M57.1Low66.1Low40 Ų4083 Ų8320%0.19745%0.448CS..PPolyproline II helixtrans-102.4132.7165.2-70-58.7-58.900108.3L160 E165 M200 T204 L365L160-M163 HydrophobicContact CD2-CB 4.28Å; L160-M163 HydrophobicContact CD2-CG 4.08Å; L160-M163 HydrophobicContact CG-CG 4.34Å; M163-E165 PolarHBondContact O-N 2.85Å; M163-M200 HydrophobicContact CB-CE 3.36Å; M163-M200 HydrophobicContact CB-SD 3.71Å; M163-M200 HydrophobicContact CE-CE 4.16Å; M163-M200 HydrophobicContact CE-CG 4.49Å; M163-M200 HydrophobicContact CG-CE 4.29Å; M163-M200 HydrophobicContact CG-SD 4.17Å; M163-T204 HydrophobicContact CE-CG2 3.52Å; M163-T204 WeakPolarHBondContact CE-OG1 3.45Å; M163-T204 HydrophobicContact SD-CG2 4.14Å; M163-L365 HydrophobicContact SD-CD1 4.36Å
164P49.8Very low63.7Low99 Ų9988.7 Ų88.764%0.64348%0.483SS*.PPolyproline II helixtrans-57.2125.5170.6-12.825.3000106.7P166 M200P164-P166 VanDerWaalsContact O-N 3.16Å; P164-M200 WeakPolarHBondContact O-CE 3.41Å
165E48.2Very low61.6Low164 Ų16491.9 Ų91.977%0.76651%0.506SS*.PPolyproline II helixtrans-46.4130.1160.1-75.3-177.9158.400106.1M163 P167M163-E165 PolarHBondContact O-N 2.85Å; E165-P167 VanDerWaalsContact O-N 3.12Å
166P47.3Very low59.2Low92 Ų9297.6 Ų97.660%0.59754%0.543SS*.PPolyproline II helixtrans-51.5131.8175.123.7-30.4000105.7P164 F168P164-P166 VanDerWaalsContact O-N 3.16Å; P166-F168 PolarHBondContact O-N 3.37Å
167P41Very low57Low115 Ų115101.2 Ų101.275%0.74757%0.572SS**PPolyproline II helixtrans-50.2123.516523.1-30.3000104.3E165 P169E165-P167 VanDerWaalsContact O-N 3.12Å; P167-P169 WeakPolarHBondContact O-CD 3.29Å
168F38.7Very low55.2Low173 Ų173105 Ų10576%0.75959%0.592SS**  trans-40.3122.4167.8-71.9-91.2000105.8P166 Q170P166-F168 PolarHBondContact O-N 3.37Å; F168-Q170 PolarHBondContact O-N 2.84Å
169P44.8Very low53.4Low116 Ų116109.3 Ų109.375%0.75362%0.62SS**  trans-66.692.2175.124.8-28.5000105.8P167P167-P169 WeakPolarHBondContact O-CD 3.29Å
170Q41.9Very low51.7Low180 Ų180117.1 Ų117.184%0.84165%0.652SS**  trans-83.1-5.3159.6-81.7-170.4-2.500110.7F168F168-Q170 PolarHBondContact O-N 2.84Å
171D42.1Very low50.1Low144 Ų144117.6 Ų117.677%0.7766%0.655SS**SBendtrans-114.2108.8169.3-70.3-41.6000109.4E173D171-E173 VanDerWaalsContact C-N 3.28Å; D171-E173 PolarHBondContact O-N 2.87Å
172E47.3Very low49.2Very low186 Ų186121.5 Ų121.587%0.86967%0.673SS**  trans-55.687.2163.3-69.8-178.6148.200109.8V174E172-V174 PolarHBondContact O-N 2.87Å
173E44.8Very low48.9Very low182 Ų182127 Ų12785%0.8568%0.681SS**  trans-74.6103.1151.5-89.5-169.9163.100107D171 S175D171-E173 VanDerWaalsContact C-N 3.28Å; D171-E173 PolarHBondContact O-N 2.87Å; E173-S175 PolarHBondContact O-N 3.12Å
174V44.8Very low48.6Very low121 Ų121129.8 Ų129.873%0.73369%0.694SS**  trans-57.280.9177.5-169.60000109.7E172E172-V174 PolarHBondContact O-N 2.87Å
175S50.1Low48.5Very low90 Ų90130.6 Ų130.663%0.62969%0.689SS**  trans-61.4134.8156.650.70000107E173 S177E173-S175 PolarHBondContact O-N 3.12Å; S175-S177 PolarHBondContact O-N 2.81Å
176P46Very low48.4Very low121 Ų121125.6 Ų125.679%0.78668%0.676SS**  trans-55.5111.9-175.822.5-32.1000108.7N178P176-N178 PolarHBondContact O-N 3.05Å
177S50.4Low48.4Very low97 Ų97124.4 Ų124.468%0.67867%0.67SS**  trans-58.1109.1179-48.50000106.7S175 P179S175-S177 PolarHBondContact O-N 2.81Å; S177-P179 WeakPolarHBondContact O-CD 3.33Å
178N56.8Low48.8Very low79 Ų79126.6 Ų126.642%0.42266%0.663SS.*  trans-76.2109.7178.1-173.5-8.9000106.8P176 F180 L181P176-N178 PolarHBondContact O-N 3.05Å; N178-F180 PolarHBondContact O-N 3.11Å; N178-F180 WeakPolarHBondContact OD1-CD2 3.25Å; N178-F180 PolarHBondContact OD1-N 2.93Å; N178-L181 HydrophobicContact CB-CB 4.47Å; N178-L181 HydrophobicContact CB-CD1 3.84Å; N178-L181 HydrophobicContact CB-CG 4Å; N178-L181 PolarHBondContact O-N 3.23Å
179P57.4Low49.2Very low90 Ų90128.7 Ų128.758%0.58467%0.666SS**THydrogen-bonded Turntrans-67.90-172.929.4-35.4000113.4S177S177-P179 WeakPolarHBondContact O-CD 3.33Å
180F56.1Low49.3Very low184 Ų184129.8 Ų129.881%0.80767%0.666SS**THydrogen-bonded Turntrans-97.2-1.1173.7-58.4-71.9000113.8N178N178-F180 PolarHBondContact O-N 3.11Å; N178-F180 WeakPolarHBondContact OD1-CD2 3.25Å; N178-F180 PolarHBondContact OD1-N 2.93Å
181L54.2Low50.1Low63 Ų63122 Ų12233%0.3363%0.632SS.*  trans-112.311.6-175.2-62.1-178.7000114.3N178 E183 E184N178-L181 HydrophobicContact CB-CB 4.47Å; N178-L181 HydrophobicContact CB-CD1 3.84Å; N178-L181 HydrophobicContact CB-CG 4Å; N178-L181 PolarHBondContact O-N 3.23Å; L181-E183 PolarHBondContact O-N 3.41Å; L181-E183 VanDerWaalsContact O-N 3.09Å; L181-E184 WeakPolarHBondContact CD2-OE2 3.35Å; L181-E184 PolarHBondContact O-N 2.96Å
182E54.4Low51.5Low151 Ų151118.7 Ų118.771%0.70662%0.617SS**Hα-helixtrans-58.3-26.6-177.6-64.8-175.1171.700113
183E53.3Low52.9Low180 Ų180112.6 Ų112.684%0.84160%0.599SS**Hα-helixtrans-77-23.1174.7-72-179.2164.500113.8L181L181-E183 PolarHBondContact O-N 3.41Å; L181-E183 VanDerWaalsContact O-N 3.09Å
184E51.3Low54.7Low99 Ų99105.2 Ų105.246%0.46357%0.565SS.*Hα-helixtrans-82.1-26179.4-83.9-172.2171.300113.5L181 A186 S187 R188L181-E184 WeakPolarHBondContact CD2-OE2 3.35Å; L181-E184 PolarHBondContact O-N 2.96Å; E184-A186 VanDerWaalsContact C-N 3.29Å; E184-A186 PolarHBondContact O-N 2.7Å; E184-S187 WeakPolarHBondContact CA-OG 3.11Å; E184-S187 PolarHBondContact O-N 2.71Å; E184-S187 PolarHBondContact O-OG 3.49Å; E184-R188 WeakPolarHBondContact O-CG 3.41Å; E184-R188 PolarHBondContact O-N 3.32Å
185E47.8Very low56.6Low115 Ų115104 Ų10454%0.53755%0.551SS.*Hα-helixtrans-72.4-24.3179.7-67.1-173.8165.600112.7
186A45.1Very low58.1Low59 Ų59107.3 Ų107.349%0.48855%0.55SS.*Hα-helixtrans-75.4-38.7170.400000111.9E184 R189E184-A186 VanDerWaalsContact C-N 3.29Å; E184-A186 PolarHBondContact O-N 2.7Å; A186-R189 PolarHBondContact O-N 3.5Å
187S47.1Very low60Low67 Ų67102.6 Ų102.647%0.46952%0.521SS..Hα-helixtrans-75.7-22.3178.563.30000113.7E184 R189 D190 A191E184-S187 WeakPolarHBondContact CA-OG 3.11Å; E184-S187 PolarHBondContact O-N 2.71Å; E184-S187 PolarHBondContact O-OG 3.49Å; S187-R189 PolarHBondContact O-N 2.75Å; S187-D190 PolarHBondContact O-N 3.24Å; S187-D190 VanDerWaalsContact O-N 3.11Å; S187-A191 PolarHBondContact O-N 2.76Å
188R49.9Very low61.8Low162 Ų16299.6 Ų99.661%0.61150%0.497SS*.G310 helixtrans-62.2-23.1170.7-82.6-179.8179.7175.33.7114.4E184 D190 A191E184-R188 WeakPolarHBondContact O-CG 3.41Å; E184-R188 PolarHBondContact O-N 3.32Å; R188-D190 VanDerWaalsContact C-N 3.29Å; R188-A191 WeakPolarHBondContact O-CB 3.35Å; R188-A191 PolarHBondContact O-N 2.85Å
189R47.5Very low63.2Low217 Ų217100.4 Ų100.482%0.81950%0.502SS*.G310 helixtrans-73.9-24175.3-61.2-174.9-151.5179.16.9112.5A186 S187A186-R189 PolarHBondContact O-N 3.5Å; S187-R189 PolarHBondContact O-N 2.75Å
190D46.4Very low64.5Low139 Ų13998.1 Ų98.174%0.74348%0.484SS*.G310 helixtrans-96.97.6177-66.4-33.7000112.6S187 R188 T192S187-D190 PolarHBondContact O-N 3.24Å; S187-D190 VanDerWaalsContact O-N 3.11Å; R188-D190 VanDerWaalsContact C-N 3.29Å; D190-T192 PolarHBondContact O-N 3.25Å; D190-T192 VanDerWaalsContact O-N 3.12Å
191A58.2Low66Low17 Ų1789.5 Ų89.514%0.1445%0.446CS..  trans-58.2119.7178.800000110.4S187 R188 E195 R196S187-A191 PolarHBondContact O-N 2.76Å; R188-A191 WeakPolarHBondContact O-CB 3.35Å; R188-A191 PolarHBondContact O-N 2.85Å; A191-E195 WeakPolarHBondContact CA-OE2 3.47Å; A191-E195 HydrophobicContact CB-CB 4.3Å; A191-R196 HydrophobicContact CB-CG 4.04Å; A191-R196 PolarHBondContact O-NE 3.14Å
192T72.9Confident67.6Low73 Ų7392 Ų9245%0.44846%0.457SS..  trans-54.3151.4178.260.10000109.7D190 L194 E195 R196D190-T192 PolarHBondContact O-N 3.25Å; D190-T192 VanDerWaalsContact O-N 3.12Å; T192-L194 PolarHBondContact O-N 2.92Å; T192-E195 PolarHBondContact N-OE2 2.99Å; T192-E195 PolarHBondContact O-N 2.97Å; T192-E195 VanDerWaalsContact OG1-CD 3.22Å; T192-E195 WeakPolarHBondContact OG1-CG 3.38Å; T192-E195 PolarHBondContact OG1-N 3.41Å; T192-E195 PolarHBondContact OG1-OE2 3.03Å; T192-R196 PolarHBondContact O-N 3.21Å
193A77.2Confident69.1Low59 Ų5988.7 Ų88.749%0.48845%0.447SS..Hα-helixtrans-53.5-30.5178.100000112.4A197A193-A197 WeakPolarHBondContact O-CB 3.32Å; A193-A197 PolarHBondContact O-N 3.19Å; A193-A197 VanDerWaalsContact O-N 3.14Å
194L82Confident70.6Confident27 Ų2781.8 Ų81.814%0.14142%0.417CS..Hα-helixtrans-63.3-52173.2176.862.1000112.6L15 E18 T192 R196 A197 L198 P369L15-L194 HydrophobicContact CB-CD1 4.49Å; L15-L194 HydrophobicContact CD1-CD1 3.41Å; L15-L194 VanDerWaalsContact CD1-CD1 3.41Å; L15-L194 HydrophobicContact CG-CD1 4.45Å; E18-L194 HydrophobicContact CG-CD2 4.44Å; E18-L194 WeakPolarHBondContact OE1-CD2 2.97Å; T192-L194 PolarHBondContact O-N 2.92Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 2.74Å; L194-A197 WeakPolarHBondContact O-CB 3.42Å; L194-A197 PolarHBondContact O-N 2.73Å; L194-A197 VanDerWaalsContact O-N 3.12Å; L194-L198 HydrophobicContact CD1-CD1 4.2Å; L194-L198 HydrophobicContact CD1-CG 4.2Å; L194-L198 HydrophobicContact CG-CD1 4.15Å; L194-L198 HydrophobicContact CG-CG 4.49Å; L194-L198 WeakPolarHBondContact O-CG 3.4Å; L194-L198 PolarHBondContact O-N 3.37Å; L194-P369 HydrophobicContact CD1-CG 4.33Å
195E84.1Confident72.3Confident96 Ų9677.1 Ų77.145%0.44940%0.396SS..Hα-helixtrans-59.5-45.4-179-74.1159161.800111.3A191 T192 A197 L198 D199A191-E195 WeakPolarHBondContact CA-OE2 3.47Å; A191-E195 HydrophobicContact CB-CB 4.3Å; T192-E195 PolarHBondContact N-OE2 2.99Å; T192-E195 PolarHBondContact O-N 2.97Å; T192-E195 VanDerWaalsContact OG1-CD 3.22Å; T192-E195 WeakPolarHBondContact OG1-CG 3.38Å; T192-E195 PolarHBondContact OG1-N 3.41Å; T192-E195 PolarHBondContact OG1-OE2 3.03Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 2.99Å; E195-L198 PolarHBondContact O-N 3.46Å; E195-L198 VanDerWaalsContact O-N 3.07Å; E195-D199 PolarHBondContact O-N 3.26Å
196R82.5Confident74.1Confident159 Ų15975.1 Ų75.160%0.639%0.394SS*.Hα-helixtrans-58.5-41.3174.8-71.2-172-80.3140.8-6.1112.4A191 T192 L194 M200A191-R196 HydrophobicContact CB-CG 4.04Å; A191-R196 PolarHBondContact O-NE 3.14Å; T192-R196 PolarHBondContact O-N 3.21Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 2.74Å; R196-M200 WeakPolarHBondContact O-CB 3.28Å; R196-M200 PolarHBondContact O-N 3.33Å
197A84.8Confident75.9Confident21 Ų2181.3 Ų81.317%0.17441%0.405CS..Hα-helixtrans-65.6-38.6175.900000112.2A193 L194 E195 L201A193-A197 WeakPolarHBondContact O-CB 3.32Å; A193-A197 PolarHBondContact O-N 3.19Å; A193-A197 VanDerWaalsContact O-N 3.14Å; L194-A197 WeakPolarHBondContact O-CB 3.42Å; L194-A197 PolarHBondContact O-N 2.73Å; L194-A197 VanDerWaalsContact O-N 3.12Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 2.99Å; A197-L201 WeakPolarHBondContact O-CB 3.35Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.38Å; A197-L201 PolarHBondContact O-N 2.82Å
198L88.1Confident77.7Confident35 Ų3587.7 Ų87.718%0.18342%0.419CS..Hα-helixtrans-69.6-41.1178.2-65.9178.1000112.5L194 E195 M200 L201 M202 N368L194-L198 HydrophobicContact CD1-CD1 4.2Å; L194-L198 HydrophobicContact CD1-CG 4.2Å; L194-L198 HydrophobicContact CG-CD1 4.15Å; L194-L198 HydrophobicContact CG-CG 4.49Å; L194-L198 WeakPolarHBondContact O-CG 3.4Å; L194-L198 PolarHBondContact O-N 3.37Å; E195-L198 PolarHBondContact O-N 3.46Å; E195-L198 VanDerWaalsContact O-N 3.07Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-L201 HydrophobicContact CD2-CD1 4.27Å; L198-L201 WeakPolarHBondContact O-CB 3.39Å; L198-L201 PolarHBondContact O-N 3.43Å; L198-M202 PolarHBondContact O-N 3Å; L198-N368 HydrophobicContact CD1-CB 4.46Å; L198-N368 HydrophobicContact CD2-CB 3.95Å
199D86.3Confident79.4Confident96 Ų9683.8 Ų83.851%0.51342%0.415SS..Hα-helixtrans-61-46.1174.5-76.1-13000110.6E195 L201 M202 V203E195-D199 PolarHBondContact O-N 3.26Å; D199-L201 VanDerWaalsContact C-N 3.33Å; D199-L201 PolarHBondContact O-N 3.48Å; D199-M202 WeakPolarHBondContact O-CB 3.4Å; D199-M202 PolarHBondContact O-N 3.25Å; D199-M202 VanDerWaalsContact O-N 3.13Å; D199-V203 WeakPolarHBondContact O-CG2 3.38Å; D199-V203 PolarHBondContact O-N 3.25Å
200M84.2Confident81.5Confident42 Ų4277 Ų7721%0.20740%0.399CS..Hα-helixtrans-59.6-43.8176.1-170.2-168.4-151.400112.3L160 M163 P164 R196 L198 M202 V203 T204L160-M200 HydrophobicContact CD2-SD 3.97Å; M163-M200 HydrophobicContact CB-CE 3.36Å; M163-M200 HydrophobicContact CB-SD 3.71Å; M163-M200 HydrophobicContact CE-CE 4.16Å; M163-M200 HydrophobicContact CE-CG 4.49Å; M163-M200 HydrophobicContact CG-CE 4.29Å; M163-M200 HydrophobicContact CG-SD 4.17Å; P164-M200 WeakPolarHBondContact O-CE 3.41Å; R196-M200 WeakPolarHBondContact O-CB 3.28Å; R196-M200 PolarHBondContact O-N 3.33Å; L198-M200 VanDerWaalsContact C-N 3.34Å; M200-M202 VanDerWaalsContact C-N 3.31Å; M200-M202 PolarHBondContact O-N 2.84Å; M200-V203 PolarHBondContact O-N 3.17Å; M200-T204 WeakPolarHBondContact O-CB 3.39Å; M200-T204 PolarHBondContact O-N 3.22Å; M200-T204 PolarHBondContact O-OG1 2.61Å
201L88.6Confident83.7Confident2 Ų273.7 Ų73.71%0.0138%0.379CS..Hα-helixtrans-59.2-43.9174.8-79.1171.4000111.2L160 A197 L198 D199 T204 T205 L365 P366L160-L201 HydrophobicContact CD1-CD1 3.81Å; L160-L201 HydrophobicContact CD1-CD2 3.48Å; L160-L201 VanDerWaalsContact CD1-CD2 3.48Å; L160-L201 HydrophobicContact CD1-CG 3.5Å; L160-L201 VanDerWaalsContact CD1-CG 3.5Å; A197-L201 WeakPolarHBondContact O-CB 3.35Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.38Å; A197-L201 PolarHBondContact O-N 2.82Å; L198-L201 HydrophobicContact CD2-CD1 4.27Å; L198-L201 WeakPolarHBondContact O-CB 3.39Å; L198-L201 PolarHBondContact O-N 3.43Å; D199-L201 VanDerWaalsContact C-N 3.33Å; D199-L201 PolarHBondContact O-N 3.48Å; L201-T204 PolarHBondContact O-N 2.88Å; L201-T205 WeakPolarHBondContact O-CG2 3.29Å; L201-T205 PolarHBondContact O-N 2.88Å; L201-T205 PolarHBondContact O-OG1 3.25Å; L201-L365 HydrophobicContact CD2-CB 3.75Å; L201-L365 HydrophobicContact CD2-CD1 3.86Å; L201-L365 HydrophobicContact CD2-CG 4.38Å; L201-P366 HydrophobicContact CD1-CG 4.34Å; L201-P366 HydrophobicContact CD2-CG 4.34Å
202M87Confident85.4Confident117 Ų11779.2 Ų79.258%0.57640%0.404SS*.Hα-helixtrans-64.7-44.7178.7-176.8170.3173.300112.2L198 D199 M200 T204 S206L198-M202 PolarHBondContact O-N 3Å; D199-M202 WeakPolarHBondContact O-CB 3.4Å; D199-M202 PolarHBondContact O-N 3.25Å; D199-M202 VanDerWaalsContact O-N 3.13Å; M200-M202 VanDerWaalsContact C-N 3.31Å; M200-M202 PolarHBondContact O-N 2.84Å; M202-T204 VanDerWaalsContact C-N 3.28Å; M202-T204 PolarHBondContact O-N 2.77Å; M202-S206 WeakPolarHBondContact O-CB 3.35Å; M202-S206 PolarHBondContact O-N 2.77Å; M202-S206 VanDerWaalsContact O-N 3.09Å; M202-S206 PolarHBondContact O-OG 2.88Å
203V86.3Confident86.4Confident81 Ų8178.6 Ų78.649%0.49140%0.395SS..Hα-helixtrans-62.3-39176.4171.90000111D199 M200 S206D199-V203 WeakPolarHBondContact O-CG2 3.38Å; D199-V203 PolarHBondContact O-N 3.25Å; M200-V203 PolarHBondContact O-N 3.17Å; V203-S206 PolarHBondContact O-OG 2.84Å; V203-S206 VanDerWaalsContact O-OG 3.14Å
204T85.4Confident87.2Confident34 Ų3480.8 Ų80.821%0.20940%0.399CS..Hα-helixtrans-71.3-43.3-177.1-56.10000112.1M163 M200 L201 M202 V231 L365M163-T204 HydrophobicContact CE-CG2 3.52Å; M163-T204 WeakPolarHBondContact CE-OG1 3.45Å; M163-T204 HydrophobicContact SD-CG2 4.14Å; M200-T204 WeakPolarHBondContact O-CB 3.39Å; M200-T204 PolarHBondContact O-N 3.22Å; M200-T204 PolarHBondContact O-OG1 2.61Å; L201-T204 PolarHBondContact O-N 2.88Å; M202-T204 VanDerWaalsContact C-N 3.28Å; M202-T204 PolarHBondContact O-N 2.77Å; T204-V231 HydrophobicContact CG2-CG1 4.16Å; T204-L365 HydrophobicContact CG2-CD1 3.99Å
205T87.1Confident87.8Confident2 Ų279.9 Ų79.91%0.01239%0.394CS..Hα-helixtrans-93.8-5.9-172.273.30000114.5L201 K229 V231 R233 E236 L365L201-T205 WeakPolarHBondContact O-CG2 3.29Å; L201-T205 PolarHBondContact O-N 2.88Å; L201-T205 PolarHBondContact O-OG1 3.25Å; T205-K229 PolarHBondContact O-NZ 3.4Å; T205-V231 HydrophobicContact CG2-CG1 4.2Å; T205-R233 HydrophobicContact CG2-CG 3.42Å; T205-R233 VanDerWaalsContact CG2-CG 3.42Å; T205-R233 WeakPolarHBondContact OG1-CD 3.38Å; T205-R233 PolarHBondContact OG1-NE 2.93Å; T205-E236 PolarHBondContact OG1-OE1 3.24Å; T205-E236 VanDerWaalsContact OG1-OE1 3.11Å; T205-L365 HydrophobicContact CG2-CD1 3.91Å
206S86Confident88.2Confident72 Ų7279.5 Ų79.550%0.50340%0.398SS..Hα-helixtrans-80.9-23.417257.70000113.5M202 V203 R208M202-S206 WeakPolarHBondContact O-CB 3.35Å; M202-S206 PolarHBondContact O-N 2.77Å; M202-S206 VanDerWaalsContact O-N 3.09Å; M202-S206 PolarHBondContact O-OG 2.88Å; V203-S206 PolarHBondContact O-OG 2.84Å; V203-S206 VanDerWaalsContact O-OG 3.14Å; S206-R208 PolarHBondContact O-N 2.67Å
207R81.1Confident88.4Confident189 Ų18973.2 Ų73.271%0.71338%0.376SS*.  trans-62.8118.9176.6-67.7-179.7-176.4-141.1-0.3110.2
208R86Confident88.4Confident202 Ų20278.7 Ų78.776%0.76241%0.408SS*.  trans-114.3120.8176.6-64.2180-170.7-172.61.2109.4S206 F228S206-R208 PolarHBondContact O-N 2.67Å; R208-F228 CarbonylContact C-O 3.55Å; R208-F228 VanDerWaalsContact CA-O 3.28Å; R208-F228 WeakPolarHBondContact CA-O 3.16Å; R208-F228 HydrophobicContact CB-CB 4.49Å
209C86.3Confident88.3Confident79 Ų7982 Ų8253%0.53442%0.418SS..  trans-134.5120.2173.3-170.70000107.8H211 F228C209-H211 PolarHBondContact O-CE1 2.85Å; C209-H211 PolarHBondContact O-N 2.85Å; C209-H211 PolarHBondContact O-ND1 2.9Å; C209-F228 CarbonylContact C-O 3.58Å; C209-F228 PolarHBondContact N-O 3.33Å; C209-F228 CarbonylContact O-C 3.55Å; C209-F228 VanDerWaalsContact O-C 3.28Å
210P90.9Very high88.4Confident75 Ų7578.5 Ų78.549%0.48740%0.404SS..  trans-67118.8-178.627.1-32.7000110.4F228P210-F228 HydrophobicContact CB-CD1 4.14Å; P210-F228 HydrophobicContact CB-CE1 4.13Å
211H92.5Very high88.7Confident70 Ų7078.3 Ų78.332%0.32440%0.402SS..EExtended strand (participates in β ladder)trans-100.6118.6171.9-65.167.6000108.3C209 F213 C226 I227C209-H211 PolarHBondContact O-CE1 2.85Å; C209-H211 PolarHBondContact O-N 2.85Å; C209-H211 PolarHBondContact O-ND1 2.9Å; H211-F213 HydrophobicContact CB-CE2 3.64Å; H211-F213 HydrophobicContact CB-CZ 4.08Å; H211-C226 VanDerWaalsContact O-CA 3.32Å; H211-C226 WeakPolarHBondContact O-CA 3.5Å; H211-I227 HydrophobicContact CB-CG2 3.89Å; H211-I227 PolarHBondContact N-O 3.14Å; H211-I227 PolarHBondContact O-N 2.82Å
212M94.4Very high88.9Confident133 Ų13378.3 Ų78.366%0.65540%0.402SS*.EExtended strand (participates in β ladder)trans-107.5131.5-178-61.6175.969.700110.2F225M212-F225 CarbonylContact C-O 3.57Å; M212-F225 WeakPolarHBondContact CA-O 3.44Å
213F94.6Very high89.2Confident60 Ų6072.7 Ų72.726%0.26338%0.375SS..EExtended strand (participates in β ladder)trans-126.4135.6179.8-59.4-87.2000109.7H211 I215 K224 F225 I227 W358 L360H211-F213 HydrophobicContact CB-CE2 3.64Å; H211-F213 HydrophobicContact CB-CZ 4.08Å; F213-I215 HydrophobicContact CB-CD1 4.43Å; F213-K224 CarbonylContact O-C 3.5Å; F213-K224 WeakPolarHBondContact O-CA 3.4Å; F213-F225 HydrophobicContact CB-CB 4.4Å; F213-F225 HydrophobicContact CB-CD1 4.45Å; F213-F225 AromaticContact CD2-CD1 3.77Å; F213-F225 HydrophobicContact CD2-CD1 3.77Å; F213-F225 HydrophobicContact CD2-CE1 4.31Å; F213-F225 HydrophobicContact CG-CD1 4.49Å; F213-F225 PolarHBondContact N-O 2.83Å; F213-F225 PolarHBondContact O-N 3.12Å; F213-I227 HydrophobicContact CE2-CG2 4.17Å; F213-W358 HydrophobicContact CB-CH2 4.06Å; F213-W358 HydrophobicContact CB-CZ2 4.16Å; F213-W358 HydrophobicContact CD1-CH2 4.38Å; F213-W358 AromaticContact CD1-CZ2 3.97Å; F213-W358 HydrophobicContact CD1-CZ2 3.97Å; F213-W358 AromaticContact CD2-CH2 3.95Å; F213-W358 HydrophobicContact CD2-CH2 3.95Å; F213-W358 HydrophobicContact CD2-CZ2 4.36Å; F213-W358 HydrophobicContact CE1-CZ2 4.47Å; F213-W358 HydrophobicContact CE2-CH2 4.48Å; F213-W358 AromaticContact CG-CH2 3.87Å; F213-W358 HydrophobicContact CG-CH2 3.87Å; F213-W358 AromaticContact CG-CZ2 3.9Å; F213-W358 HydrophobicContact CG-CZ2 3.9Å; F213-L360 HydrophobicContact CE1-CD1 4.21Å; F213-L360 HydrophobicContact CE2-CD1 4.02Å; F213-L360 HydrophobicContact CE2-CD2 4.26Å; F213-L360 HydrophobicContact CZ-CD1 3.66Å
214N93.9Very high89.6Confident105 Ų10571.4 Ų71.456%0.56136%0.362SS*.EExtended strand (participates in β ladder)trans-89.4116170.6-68-35.5000108.3K224N214-K224 WeakPolarHBondContact OD1-CG 3.45Å
215I93.4Very high90.1Very high7 Ų769.8 Ų69.84%0.03635%0.353CS..EExtended strand (participates in β ladder)trans-88.3115.1174.9-50.7-55.6000107.7F213 V222 A223 F225 F323 F356 W358F213-I215 HydrophobicContact CB-CD1 4.43Å; I215-V222 HydrophobicContact CG2-CB 4.42Å; I215-V222 PolarHBondContact O-N 3.06Å; I215-A223 WeakPolarHBondContact CB-O 3.26Å; I215-A223 PolarHBondContact N-O 3.04Å; I215-A223 PolarHBondContact O-N 3.35Å; I215-F225 HydrophobicContact CD1-CB 4.13Å; I215-F225 HydrophobicContact CG1-CB 3.99Å; I215-F323 HydrophobicContact CG1-CZ 4.35Å; I215-F323 HydrophobicContact CG2-CD2 4.23Å; I215-F323 HydrophobicContact CG2-CE2 3.85Å; I215-F323 HydrophobicContact CG2-CZ 4.04Å; I215-F356 HydrophobicContact CG2-CE2 3.73Å; I215-F356 HydrophobicContact CG2-CZ 3.75Å; I215-W358 HydrophobicContact CD1-CD2 3.8Å; I215-W358 HydrophobicContact CD1-CE3 3.54Å; I215-W358 HydrophobicContact CD1-CG 4.47Å; I215-W358 HydrophobicContact CD1-CH2 4.17Å; I215-W358 HydrophobicContact CD1-CZ2 4.38Å; I215-W358 HydrophobicContact CD1-CZ3 3.75Å
216T92.1Very high90.6Very high88 Ų8870.7 Ų70.754%0.5436%0.359SS..EExtended strand (participates in β ladder)trans-121.1145.5-17957.30000110.3G220 K221T216-G220 WeakPolarHBondContact CA-O 3.47Å; T216-K221 HydrophobicContact CG2-CB 4.41Å
217N87.8Confident91Very high28 Ų2867.3 Ų67.315%0.1534%0.335CS..EExtended strand (participates in β ladder)trans-107.3171.6167.4-168.3-0.9000108.3R219 G220 V222 I249 T325 F356N217-R219 PolarHBondContact O-N 3.5Å; N217-G220 PolarHBondContact N-O 3.02Å; N217-G220 PolarHBondContact O-N 3.4Å; N217-G220 VanDerWaalsContact O-O 3.14Å; N217-V222 HydrophobicContact CB-CG2 3.8Å; N217-I249 HydrophobicContact CB-CD1 3.76Å; N217-T325 PolarHBondContact ND2-OG1 3.44Å; N217-F356 HydrophobicContact CB-CD1 4.32Å; N217-F356 HydrophobicContact CB-CE1 4Å; N217-F356 HydrophobicContact CB-CZ 4.45Å
218T85.1Confident91.5Very high135 Ų13562.7 Ų62.783%0.82832%0.32SS*.THydrogen-bonded Turntrans-53.4-26.4177.454.20000113.7
219R84.6Confident91.9Very high106 Ų10654.6 Ų54.640%0.429%0.29SS..THydrogen-bonded Turntrans-89.7-13.9179.1-71-167.9-66.6-79.65.1115.4N217 I249 A326 D354N217-R219 PolarHBondContact O-N 3.5Å; R219-I249 HydrophobicContact CB-CD1 3.62Å; R219-I249 HydrophobicContact CB-CG1 4.27Å; R219-A326 PolarHBondContact NH2-O 3.37Å; R219-D354 IonicContact CZ-OD2 3.18Å; R219-D354 IonicContact NH1-OD2 2.6Å; R219-D354 PolarHBondContact NH1-OD2 2.78Å; R219-D354 IonicContact NH2-OD2 2.91Å; R219-D354 PolarHBondContact NH2-OD2 2.85Å
220G88.1Confident92.2Very high22 Ų2252.9 Ų52.923%0.22728%0.277CS..EExtended strand (participates in β ladder)trans146-168.5-169.700000114.5T216 N217 I249T216-G220 WeakPolarHBondContact CA-O 3.47Å; N217-G220 PolarHBondContact N-O 3.02Å; N217-G220 PolarHBondContact O-N 3.4Å; N217-G220 VanDerWaalsContact O-O 3.14Å; G220-I249 WeakPolarHBondContact O-CD1 3.36Å
221K91.3Very high92.3Very high38 Ų3850.9 Ų50.917%0.16526%0.264CS..EExtended strand (participates in β ladder)trans-82.3134.9-175.3-174.6174.4162.6-1450111.1T216 E246 G247 D248 I249T216-K221 HydrophobicContact CG2-CB 4.41Å; K221-E246 WeakPolarHBondContact CD-O 3.15Å; K221-E246 WeakPolarHBondContact CE-O 3.38Å; K221-E246 PolarHBondContact NZ-O 2.69Å; K221-E246 IonicContact NZ-OE2 2.85Å; K221-E246 PolarHBondContact NZ-OE2 3.09Å; K221-G247 CarbonylContact O-C 3.55Å; K221-G247 WeakPolarHBondContact O-CA 3.42Å; K221-D248 WeakPolarHBondContact CB-OD2 3.33Å; K221-D248 PolarHBondContact N-OD2 2.73Å; K221-D248 PolarHBondContact O-N 2.91Å; K221-I249 PolarHBondContact O-N 2.91Å
222V92.2Very high92.4Very high1 Ų147.8 Ų47.81%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-100.2-52.1179.1-178.10000110.3I215 N217 I249 C251 T325 F356I215-V222 HydrophobicContact CG2-CB 4.42Å; I215-V222 PolarHBondContact O-N 3.06Å; N217-V222 HydrophobicContact CB-CG2 3.8Å; V222-I249 HydrophobicContact CG2-CB 4.28Å; V222-I249 HydrophobicContact CG2-CD1 4.13Å; V222-C251 HydrophobicContact CG1-CB 3.79Å; V222-T325 HydrophobicContact CG1-CG2 3.77Å; V222-T325 HydrophobicContact CG2-CG2 3.95Å; V222-F356 HydrophobicContact CB-CZ 4.46Å; V222-F356 HydrophobicContact CG2-CE1 4.03Å; V222-F356 HydrophobicContact CG2-CZ 3.93Å
223A93.8Very high92.3Very high0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-158161.9-176.100000111.8I215 F242 N243 F244I215-A223 WeakPolarHBondContact CB-O 3.26Å; I215-A223 PolarHBondContact N-O 3.04Å; I215-A223 PolarHBondContact O-N 3.35Å; A223-F242 HydrophobicContact CB-CD1 4.21Å; A223-N243 CarbonylContact C-O 3.5Å; A223-N243 WeakPolarHBondContact CA-O 3.1Å; A223-F244 HydrophobicContact CB-CD1 3.47Å; A223-F244 VanDerWaalsContact CB-CD1 3.47Å; A223-F244 HydrophobicContact CB-CE1 3.51Å; A223-F244 HydrophobicContact CB-CG 4.39Å; A223-F244 HydrophobicContact CB-CZ 4.45Å
224K94.9Very high92.3Very high53 Ų5341.8 Ų41.823%0.2322%0.218CC..EExtended strand (participates in β ladder)trans-98.3124.5159.8-71.1-176.7170.1166.40109F213 N214 F242 N243 E246F213-K224 CarbonylContact O-C 3.5Å; F213-K224 WeakPolarHBondContact O-CA 3.4Å; N214-K224 WeakPolarHBondContact OD1-CG 3.45Å; K224-F242 CarbonylContact O-C 3.53Å; K224-F242 WeakPolarHBondContact O-CA 3.47Å; K224-N243 HydrophobicContact CB-CB 4.35Å; K224-N243 PolarHBondContact N-O 3.36Å; K224-N243 PolarHBondContact O-N 3.11Å; K224-E246 WeakPolarHBondContact CE-OE2 3.41Å; K224-E246 IonicContact NZ-OE1 3.26Å; K224-E246 PolarHBondContact NZ-OE1 2.98Å; K224-E246 IonicContact NZ-OE2 2.69Å; K224-E246 PolarHBondContact NZ-OE2 3.25Å
225F96.4Very high92.3Very high1 Ų138.8 Ų38.80%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-100.2137.7174.1175-112000110.4M212 F213 I215 I227 T241 F242 F296 F321 W358 L360M212-F225 CarbonylContact C-O 3.57Å; M212-F225 WeakPolarHBondContact CA-O 3.44Å; F213-F225 HydrophobicContact CB-CB 4.4Å; F213-F225 HydrophobicContact CB-CD1 4.45Å; F213-F225 AromaticContact CD2-CD1 3.77Å; F213-F225 HydrophobicContact CD2-CD1 3.77Å; F213-F225 HydrophobicContact CD2-CE1 4.31Å; F213-F225 HydrophobicContact CG-CD1 4.49Å; F213-F225 PolarHBondContact N-O 2.83Å; F213-F225 PolarHBondContact O-N 3.12Å; I215-F225 HydrophobicContact CD1-CB 4.13Å; I215-F225 HydrophobicContact CG1-CB 3.99Å; F225-I227 HydrophobicContact CE1-CB 3.83Å; F225-I227 HydrophobicContact CE1-CG2 3.99Å; F225-I227 HydrophobicContact CZ-CB 3.77Å; F225-I227 HydrophobicContact CZ-CD1 4.32Å; F225-I227 HydrophobicContact CZ-CG1 4.4Å; F225-I227 HydrophobicContact CZ-CG2 4.43Å; F225-T241 CarbonylContact C-O 3.56Å; F225-T241 WeakPolarHBondContact CA-O 3.49Å; F225-T241 WeakPolarHBondContact CD2-O 3.31Å; F225-F242 HydrophobicContact CB-CD1 3.98Å; F225-F242 HydrophobicContact CB-CE1 3.71Å; F225-F242 AromaticContact CD2-CD1 3.85Å; F225-F242 HydrophobicContact CD2-CD1 3.85Å; F225-F242 HydrophobicContact CD2-CD2 4.38Å; F225-F242 AromaticContact CD2-CE1 3.39Å; F225-F242 HydrophobicContact CD2-CE1 3.39Å; F225-F242 AromaticContact CD2-CE2 3.98Å; F225-F242 HydrophobicContact CD2-CE2 3.98Å; F225-F242 HydrophobicContact CD2-CG 4.32Å; F225-F242 AromaticContact CD2-CZ 3.47Å; F225-F242 HydrophobicContact CD2-CZ 3.47Å; F225-F242 VanDerWaalsContact CD2-CZ 3.47Å; F225-F242 HydrophobicContact CE2-CE1 4.35Å; F225-F242 HydrophobicContact CE2-CE2 4.25Å; F225-F242 AromaticContact CE2-CZ 3.99Å; F225-F242 HydrophobicContact CE2-CZ 3.99Å; F225-F242 HydrophobicContact CG-CD1 4.37Å; F225-F242 AromaticContact CG-CE1 3.84Å; F225-F242 HydrophobicContact CG-CE1 3.84Å; F225-F242 HydrophobicContact CG-CZ 4.24Å; F225-F296 AromaticContact CE2-CE1 3.64Å; F225-F296 HydrophobicContact CE2-CE1 3.64Å; F225-F296 HydrophobicContact CE2-CZ 4.11Å; F225-F296 HydrophobicContact CZ-CE1 4.21Å; F225-F296 HydrophobicContact CZ-CZ 4.22Å; F225-F321 HydrophobicContact CD2-CE1 4.48Å; F225-F321 HydrophobicContact CE1-CZ 4.02Å; F225-F321 HydrophobicContact CE2-CE1 4.09Å; F225-F321 HydrophobicContact CE2-CZ 4.16Å; F225-F321 HydrophobicContact CZ-CE1 4.15Å; F225-F321 AromaticContact CZ-CZ 3.74Å; F225-F321 HydrophobicContact CZ-CZ 3.74Å; F225-W358 HydrophobicContact CB-CZ3 4.47Å; F225-W358 AromaticContact CD1-CH2 3.49Å; F225-W358 HydrophobicContact CD1-CH2 3.49Å; F225-W358 VanDerWaalsContact CD1-CH2 3.49Å; F225-W358 AromaticContact CD1-CZ3 3.48Å; F225-W358 HydrophobicContact CD1-CZ3 3.48Å; F225-W358 VanDerWaalsContact CD1-CZ3 3.48Å; F225-W358 AromaticContact CE1-CH2 3.93Å; F225-W358 HydrophobicContact CE1-CH2 3.93Å; F225-W358 AromaticContact CE1-CZ3 3.92Å; F225-W358 HydrophobicContact CE1-CZ3 3.92Å; F225-W358 HydrophobicContact CG-CH2 4.4Å; F225-W358 HydrophobicContact CG-CZ3 4.05Å; F225-L360 HydrophobicContact CE1-CD2 3.82Å
226C96.3Very high92.3Very high21 Ų2140 Ų4014%0.14222%0.218CC..EExtended strand (participates in β ladder)trans-129.8135.7175.7-174.40000111.1H211 G240 T241H211-C226 VanDerWaalsContact O-CA 3.32Å; H211-C226 WeakPolarHBondContact O-CA 3.5Å; C226-G240 WeakPolarHBondContact O-CA 3.35Å; C226-T241 PolarHBondContact N-O 3.07Å; C226-T241 PolarHBondContact O-N 3.33Å
227I95.9Very high92.4Very high0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-136.3137.9174.1-164.8175000109.9H211 F213 F225 K229 Y232 I238 L319 L360H211-I227 HydrophobicContact CB-CG2 3.89Å; H211-I227 PolarHBondContact N-O 3.14Å; H211-I227 PolarHBondContact O-N 2.82Å; F213-I227 HydrophobicContact CE2-CG2 4.17Å; F225-I227 HydrophobicContact CE1-CB 3.83Å; F225-I227 HydrophobicContact CE1-CG2 3.99Å; F225-I227 HydrophobicContact CZ-CB 3.77Å; F225-I227 HydrophobicContact CZ-CD1 4.32Å; F225-I227 HydrophobicContact CZ-CG1 4.4Å; F225-I227 HydrophobicContact CZ-CG2 4.43Å; I227-K229 WeakPolarHBondContact CD1-O 3.41Å; I227-K229 WeakPolarHBondContact CG1-O 3.46Å; I227-Y232 HydrophobicContact CD1-CE2 4.34Å; I227-Y232 VanDerWaalsContact CD1-OH 3.28Å; I227-Y232 WeakPolarHBondContact CD1-OH 3.48Å; I227-Y232 WeakPolarHBondContact CG1-OH 3.36Å; I227-I238 HydrophobicContact CD1-CG2 4.15Å; I227-L319 HydrophobicContact CD1-CD1 3.91Å; I227-L360 HydrophobicContact CD1-CD2 4.22Å; I227-L360 HydrophobicContact CG2-CD2 4.11Å
228F92.1Very high92.8Very high93 Ų9338.6 Ų38.641%0.40821%0.207SC..SBendtrans-87.9-12.4-172.2-71.2-84.4000114.7R208 C209 P210R208-F228 CarbonylContact C-O 3.55Å; R208-F228 VanDerWaalsContact CA-O 3.28Å; R208-F228 WeakPolarHBondContact CA-O 3.16Å; R208-F228 HydrophobicContact CB-CB 4.49Å; C209-F228 CarbonylContact C-O 3.58Å; C209-F228 PolarHBondContact N-O 3.33Å; C209-F228 CarbonylContact O-C 3.55Å; C209-F228 VanDerWaalsContact O-C 3.28Å; P210-F228 HydrophobicContact CB-CD1 4.14Å; P210-F228 HydrophobicContact CB-CE1 4.13Å
229K93.1Very high93.4Very high31 Ų3135.1 Ų35.114%0.13519%0.185CC..  trans-159.5159.1173.963.4-174.2-169.6173.20110T205 I227 V231 Y232 E236T205-K229 PolarHBondContact O-NZ 3.4Å; I227-K229 WeakPolarHBondContact CD1-O 3.41Å; I227-K229 WeakPolarHBondContact CG1-O 3.46Å; K229-V231 WeakPolarHBondContact CD-O 3.39Å; K229-Y232 HydrophobicContact CD-CD1 4.31Å; K229-Y232 HydrophobicContact CD-CE1 4.04Å; K229-Y232 HydrophobicContact CG-CD1 4.24Å; K229-Y232 HydrophobicContact CG-CE1 3.62Å; K229-Y232 HydrophobicContact CG-CE2 4.08Å; K229-Y232 VanDerWaalsContact O-CE2 3.26Å; K229-Y232 WeakPolarHBondContact O-CE2 3.41Å; K229-Y232 PolarHBondContact O-OH 3Å; K229-E236 IonicContact NZ-OE1 3.89Å; K229-E236 IonicContact NZ-OE2 3.84Å; K229-E236 PolarHBondContact NZ-OE2 3.09Å
230T92.4Very high93.9Very high43 Ų4330 Ų3026%0.26417%0.166SC..SBendtrans-116.1-0.2176.354.10000112.1V362 K363T230-V362 CarbonylContact O-C 3.6Å; T230-V362 WeakPolarHBondContact O-CA 3.44Å; T230-K363 PolarHBondContact O-N 2.82Å
231V93.4Very high94.3Very high34 Ų3431.5 Ų31.521%0.20617%0.171CC..EExtended strand (participates in β ladder)trans-118.3121.7178.7-172.20000108.9T204 T205 K229 K363 L365T204-V231 HydrophobicContact CG2-CG1 4.16Å; T205-V231 HydrophobicContact CG2-CG1 4.2Å; K229-V231 WeakPolarHBondContact CD-O 3.39Å; V231-K363 CarbonylContact C-O 3.57Å; V231-K363 WeakPolarHBondContact CA-O 3.42Å; V231-K363 HydrophobicContact CG1-CB 4.26Å; V231-K363 HydrophobicContact CG2-CB 4.16Å; V231-L365 HydrophobicContact CG1-CD1 3.48Å; V231-L365 VanDerWaalsContact CG1-CD1 3.48Å; V231-L365 HydrophobicContact CG1-CG 3.76Å
232Y93.8Very high94.5Very high5 Ų529.9 Ų29.92%0.0216%0.164CC..EExtended strand (participates in β ladder)trans-128.8151.3-174.5-66-90000110.4I227 K229 E236 I238 V362 K363 V364 L365I227-Y232 HydrophobicContact CD1-CE2 4.34Å; I227-Y232 VanDerWaalsContact CD1-OH 3.28Å; I227-Y232 WeakPolarHBondContact CD1-OH 3.48Å; I227-Y232 WeakPolarHBondContact CG1-OH 3.36Å; K229-Y232 HydrophobicContact CD-CD1 4.31Å; K229-Y232 HydrophobicContact CD-CE1 4.04Å; K229-Y232 HydrophobicContact CG-CD1 4.24Å; K229-Y232 HydrophobicContact CG-CE1 3.62Å; K229-Y232 HydrophobicContact CG-CE2 4.08Å; K229-Y232 VanDerWaalsContact O-CE2 3.26Å; K229-Y232 WeakPolarHBondContact O-CE2 3.41Å; K229-Y232 PolarHBondContact O-OH 3Å; Y232-E236 WeakPolarHBondContact CA-OE2 3.32Å; Y232-E236 HydrophobicContact CD1-CB 4.48Å; Y232-I238 HydrophobicContact CD1-CG1 3.71Å; Y232-I238 HydrophobicContact CD2-CD1 4.2Å; Y232-I238 HydrophobicContact CD2-CG1 3.99Å; Y232-I238 HydrophobicContact CE1-CB 4.07Å; Y232-I238 HydrophobicContact CE1-CG1 3.73Å; Y232-I238 HydrophobicContact CE1-CG2 4.25Å; Y232-I238 HydrophobicContact CE2-CD1 4.36Å; Y232-I238 HydrophobicContact CE2-CG1 4Å; Y232-I238 HydrophobicContact CE2-CG2 4.15Å; Y232-I238 HydrophobicContact CG-CD1 4.38Å; Y232-I238 HydrophobicContact CG-CG1 3.85Å; Y232-V362 HydrophobicContact CE2-CG1 4.45Å; Y232-K363 PolarHBondContact N-O 2.84Å; Y232-V364 CarbonylContact O-C 3.49Å; Y232-V364 VanDerWaalsContact O-CA 3.32Å; Y232-V364 WeakPolarHBondContact O-CA 3.2Å; Y232-L365 PolarHBondContact O-N 2.95Å
233R93.6Very high94.6Very high64 Ų6432.5 Ų32.524%0.24218%0.177CC..EExtended strand (participates in β ladder)trans-95.4157.7168.5-62.4179.1-65.9-174.9-6.7110.7T205 G235 E236 L365T205-R233 HydrophobicContact CG2-CG 3.42Å; T205-R233 VanDerWaalsContact CG2-CG 3.42Å; T205-R233 WeakPolarHBondContact OG1-CD 3.38Å; T205-R233 PolarHBondContact OG1-NE 2.93Å; R233-G235 PolarHBondContact O-N 3.28Å; R233-E236 HydrophobicContact CB-CG 4.02Å; R233-E236 IonicContact CZ-OE1 2.66Å; R233-E236 PolarHBondContact N-OE2 2.76Å; R233-E236 IonicContact NE-OE1 2.84Å; R233-E236 PolarHBondContact NE-OE1 3.13Å; R233-E236 IonicContact NH2-OE1 3.75Å; R233-E236 PolarHBondContact NH2-OE1 3.41Å; R233-E236 VanDerWaalsContact NH2-OE1 3.09Å; R233-E236 WeakPolarHBondContact O-CB 3.22Å; R233-E236 PolarHBondContact O-N 3.46Å; R233-L365 WeakPolarHBondContact CA-O 3.45Å; R233-L365 HydrophobicContact CG-CB 4.33Å
234L94.9Very high94.5Very high2 Ų233.5 Ų33.51%0.0118%0.182CC..THydrogen-bonded Turntrans-53.6131.7166-59177.8000110.2L158 E236 V300 P301 L302 V304 P306 V364 L365 T367L158-L234 HydrophobicContact CD2-CD1 4.37Å; L234-E236 VanDerWaalsContact C-N 3.35Å; L234-V300 HydrophobicContact CD2-CG1 4.03Å; L234-P301 WeakPolarHBondContact CD2-O 3.37Å; L234-L302 HydrophobicContact CB-CD2 4.14Å; L234-V304 WeakPolarHBondContact CD1-O 3.28Å; L234-V304 HydrophobicContact CD2-CG2 3.6Å; L234-V304 WeakPolarHBondContact CD2-O 3.38Å; L234-P306 HydrophobicContact CD1-CG 3.89Å; L234-P306 HydrophobicContact CD2-CG 4.34Å; L234-P306 HydrophobicContact CG-CG 4.14Å; L234-V364 HydrophobicContact CD2-CG1 3.58Å; L234-V364 HydrophobicContact CG-CG1 4.33Å; L234-L365 PolarHBondContact N-O 3.24Å; L234-T367 HydrophobicContact CB-CG2 3.84Å; L234-T367 HydrophobicContact CD1-CG2 4.44Å; L234-T367 WeakPolarHBondContact O-CB 3.5Å
235G93.3Very high94.2Very high43 Ų4334.8 Ų34.844%0.44320%0.198SC..THydrogen-bonded Turntrans85.1-3.7-176.700000115.4R233 V300R233-G235 PolarHBondContact O-N 3.28Å; G235-V300 VanDerWaalsContact CA-O 3.22Å; G235-V300 WeakPolarHBondContact CA-O 3.5Å; G235-V300 PolarHBondContact N-O 2.83Å
236E93.9Very high93.4Very high32 Ų3238.9 Ų38.915%0.1522%0.217CC..  trans-83.1155.1171.2-68.1-177.3166.500111.6T205 K229 Y232 R233 L234 V300T205-E236 PolarHBondContact OG1-OE1 3.24Å; T205-E236 VanDerWaalsContact OG1-OE1 3.11Å; K229-E236 IonicContact NZ-OE1 3.89Å; K229-E236 IonicContact NZ-OE2 3.84Å; K229-E236 PolarHBondContact NZ-OE2 3.09Å; Y232-E236 WeakPolarHBondContact CA-OE2 3.32Å; Y232-E236 HydrophobicContact CD1-CB 4.48Å; R233-E236 HydrophobicContact CB-CG 4.02Å; R233-E236 IonicContact CZ-OE1 2.66Å; R233-E236 PolarHBondContact N-OE2 2.76Å; R233-E236 IonicContact NE-OE1 2.84Å; R233-E236 PolarHBondContact NE-OE1 3.13Å; R233-E236 IonicContact NH2-OE1 3.75Å; R233-E236 PolarHBondContact NH2-OE1 3.41Å; R233-E236 VanDerWaalsContact NH2-OE1 3.09Å; R233-E236 WeakPolarHBondContact O-CB 3.22Å; R233-E236 PolarHBondContact O-N 3.46Å; L234-E236 VanDerWaalsContact C-N 3.35Å; E236-V300 WeakPolarHBondContact O-CB 3.36Å; E236-V300 WeakPolarHBondContact O-CG2 3.35Å; E236-V300 PolarHBondContact O-N 2.77Å
237D94.6Very high92.6Very high86 Ų8639 Ų3946%0.4622%0.222SC..EExtended strand (participates in β ladder)trans-93.2131.6173.4-73.7-8.7000111.3V239 S297 P299D237-V239 HydrophobicContact CB-CG2 4.45Å; D237-S297 PolarHBondContact OD2-OG 3.2Å; D237-P299 VanDerWaalsContact OD1-CA 3.28Å; D237-P299 WeakPolarHBondContact OD1-CA 3.32Å; D237-P299 WeakPolarHBondContact OD1-CB 3.33Å
238I96.2Very high92.1Very high0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-87.1108.5170.2-57179.3000107.9I227 Y232 L258 F296 S297 L298 V300 L319I227-I238 HydrophobicContact CD1-CG2 4.15Å; Y232-I238 HydrophobicContact CD1-CG1 3.71Å; Y232-I238 HydrophobicContact CD2-CD1 4.2Å; Y232-I238 HydrophobicContact CD2-CG1 3.99Å; Y232-I238 HydrophobicContact CE1-CB 4.07Å; Y232-I238 HydrophobicContact CE1-CG1 3.73Å; Y232-I238 HydrophobicContact CE1-CG2 4.25Å; Y232-I238 HydrophobicContact CE2-CD1 4.36Å; Y232-I238 HydrophobicContact CE2-CG1 4Å; Y232-I238 HydrophobicContact CE2-CG2 4.15Å; Y232-I238 HydrophobicContact CG-CD1 4.38Å; Y232-I238 HydrophobicContact CG-CG1 3.85Å; I238-L258 HydrophobicContact CD1-CD1 3.79Å; I238-L258 HydrophobicContact CD1-CD2 4.32Å; I238-F296 HydrophobicContact CG2-CE2 4.11Å; I238-S297 WeakPolarHBondContact O-CA 3.36Å; I238-L298 HydrophobicContact CB-CB 4.37Å; I238-L298 PolarHBondContact N-O 2.94Å; I238-L298 PolarHBondContact O-N 3.37Å; I238-V300 HydrophobicContact CD1-CG2 3.79Å; I238-V300 HydrophobicContact CG1-CG2 3.77Å; I238-L319 HydrophobicContact CD1-CD2 3.94Å; I238-L319 HydrophobicContact CG2-CD1 3.78Å; I238-L319 HydrophobicContact CG2-CD2 4.16Å
239V96Very high91.9Very high62 Ų6241.3 Ų41.338%0.37624%0.238SC..EExtended strand (participates in β ladder)trans-106.1127176.4-175.50000109.9D237 F296D237-V239 HydrophobicContact CB-CG2 4.45Å; V239-F296 WeakPolarHBondContact CA-O 3.31Å
240G96.4Very high91.6Very high0 Ų041.6 Ų41.60%024%0.244CC..EExtended strand (participates in β ladder)trans-132.6148.8174.400000110.9C226 H295 F296C226-G240 WeakPolarHBondContact O-CA 3.35Å; G240-H295 VanDerWaalsContact O-CA 3.29Å; G240-H295 WeakPolarHBondContact O-CA 3.32Å; G240-F296 PolarHBondContact N-O 3.2Å; G240-F296 PolarHBondContact O-N 3.41Å
241T95.8Very high91.5Very high53 Ų5339.9 Ų39.933%0.32523%0.233SC..EExtended strand (participates in β ladder)trans-121144.518061.50000111.1F225 C226 S294 H295F225-T241 CarbonylContact C-O 3.56Å; F225-T241 WeakPolarHBondContact CA-O 3.49Å; F225-T241 WeakPolarHBondContact CD2-O 3.31Å; C226-T241 PolarHBondContact N-O 3.07Å; C226-T241 PolarHBondContact O-N 3.33Å; T241-S294 WeakPolarHBondContact CA-O 3.46Å; T241-H295 HydrophobicContact CG2-CB 3.97Å
242F95.7Very high91.5Very high3 Ų339.5 Ų39.51%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-115136.8174.4-70.6-78000109.8A223 K224 F225 F244 Y254 V256 S293 S294 F296 F321 F323A223-F242 HydrophobicContact CB-CD1 4.21Å; K224-F242 CarbonylContact O-C 3.53Å; K224-F242 WeakPolarHBondContact O-CA 3.47Å; F225-F242 HydrophobicContact CB-CD1 3.98Å; F225-F242 HydrophobicContact CB-CE1 3.71Å; F225-F242 AromaticContact CD2-CD1 3.85Å; F225-F242 HydrophobicContact CD2-CD1 3.85Å; F225-F242 HydrophobicContact CD2-CD2 4.38Å; F225-F242 AromaticContact CD2-CE1 3.39Å; F225-F242 HydrophobicContact CD2-CE1 3.39Å; F225-F242 AromaticContact CD2-CE2 3.98Å; F225-F242 HydrophobicContact CD2-CE2 3.98Å; F225-F242 HydrophobicContact CD2-CG 4.32Å; F225-F242 AromaticContact CD2-CZ 3.47Å; F225-F242 HydrophobicContact CD2-CZ 3.47Å; F225-F242 VanDerWaalsContact CD2-CZ 3.47Å; F225-F242 HydrophobicContact CE2-CE1 4.35Å; F225-F242 HydrophobicContact CE2-CE2 4.25Å; F225-F242 AromaticContact CE2-CZ 3.99Å; F225-F242 HydrophobicContact CE2-CZ 3.99Å; F225-F242 HydrophobicContact CG-CD1 4.37Å; F225-F242 AromaticContact CG-CE1 3.84Å; F225-F242 HydrophobicContact CG-CE1 3.84Å; F225-F242 HydrophobicContact CG-CZ 4.24Å; F242-F244 HydrophobicContact CB-CD2 4.29Å; F242-F244 HydrophobicContact CB-CE1 4.42Å; F242-F244 HydrophobicContact CB-CE2 3.62Å; F242-F244 HydrophobicContact CB-CZ 3.68Å; F242-F244 HydrophobicContact CD1-CZ 4.46Å; F242-F244 HydrophobicContact CG-CE2 4.45Å; F242-F244 HydrophobicContact CG-CZ 4.08Å; F242-Y254 HydrophobicContact CD2-CD2 4.25Å; F242-Y254 HydrophobicContact CD2-CE1 4.3Å; F242-Y254 AromaticContact CD2-CE2 3.83Å; F242-Y254 HydrophobicContact CD2-CE2 3.83Å; F242-Y254 AromaticContact CD2-CZ 3.87Å; F242-Y254 AromaticContact CE2-CD2 3.7Å; F242-Y254 HydrophobicContact CE2-CD2 3.7Å; F242-Y254 AromaticContact CE2-CE2 3.48Å; F242-Y254 HydrophobicContact CE2-CE2 3.48Å; F242-Y254 VanDerWaalsContact CE2-CE2 3.48Å; F242-Y254 HydrophobicContact CE2-CG 4.4Å; F242-Y254 HydrophobicContact CZ-CD2 4.29Å; F242-Y254 HydrophobicContact CZ-CE2 4.47Å; F242-V256 HydrophobicContact CE2-CG2 4.37Å; F242-S293 CarbonylContact O-C 3.57Å; F242-S293 WeakPolarHBondContact O-CA 3.42Å; F242-S293 WeakPolarHBondContact O-CB 3.02Å; F242-S294 PolarHBondContact N-O 2.88Å; F242-S294 PolarHBondContact O-N 2.88Å; F242-F296 HydrophobicContact CD2-CD1 4.45Å; F242-F296 AromaticContact CE2-CD1 3.82Å; F242-F296 HydrophobicContact CE2-CD1 3.82Å; F242-F296 AromaticContact CE2-CE1 3.85Å; F242-F296 HydrophobicContact CE2-CE1 3.85Å; F242-F296 HydrophobicContact CZ-CE1 4.42Å; F242-F321 HydrophobicContact CE2-CE1 4.34Å; F242-F321 AromaticContact CZ-CD1 3.74Å; F242-F321 HydrophobicContact CZ-CD1 3.74Å; F242-F321 AromaticContact CZ-CE1 3.66Å; F242-F321 HydrophobicContact CZ-CE1 3.66Å; F242-F323 HydrophobicContact CD1-CE1 4.45Å; F242-F323 AromaticContact CE1-CE1 3.78Å; F242-F323 HydrophobicContact CE1-CE1 3.78Å; F242-F323 AromaticContact CE1-CZ 3.73Å; F242-F323 HydrophobicContact CE1-CZ 3.73Å; F242-F323 HydrophobicContact CZ-CE1 4.07Å; F242-F323 AromaticContact CZ-CZ 3.98Å; F242-F323 HydrophobicContact CZ-CZ 3.98Å
243N94.3Very high91.5Very high56 Ų5642.6 Ų42.630%0.29925%0.245SC..EExtended strand (participates in β ladder)trans-117114.8167.5-177.8-7.3000108.7A223 K224 S245 A292A223-N243 CarbonylContact C-O 3.5Å; A223-N243 WeakPolarHBondContact CA-O 3.1Å; K224-N243 HydrophobicContact CB-CB 4.35Å; K224-N243 PolarHBondContact N-O 3.36Å; K224-N243 PolarHBondContact O-N 3.11Å; N243-S245 WeakPolarHBondContact OD1-CB 3.44Å; N243-S245 PolarHBondContact OD1-N 3.46Å; N243-S245 PolarHBondContact OD1-OG 2.87Å; N243-A292 PolarHBondContact OD1-O 3.4Å
244F91.9Very high91.6Very high22 Ų2239.6 Ų39.610%0.09623%0.233CC..  trans-99.9-6179.4-60.1-75.1000112.5A223 F242 E246 G247 C251 Y254 C288 T291 A292A223-F244 HydrophobicContact CB-CD1 3.47Å; A223-F244 VanDerWaalsContact CB-CD1 3.47Å; A223-F244 HydrophobicContact CB-CE1 3.51Å; A223-F244 HydrophobicContact CB-CG 4.39Å; A223-F244 HydrophobicContact CB-CZ 4.45Å; F242-F244 HydrophobicContact CB-CD2 4.29Å; F242-F244 HydrophobicContact CB-CE1 4.42Å; F242-F244 HydrophobicContact CB-CE2 3.62Å; F242-F244 HydrophobicContact CB-CZ 3.68Å; F242-F244 HydrophobicContact CD1-CZ 4.46Å; F242-F244 HydrophobicContact CG-CE2 4.45Å; F242-F244 HydrophobicContact CG-CZ 4.08Å; F244-E246 PolarHBondContact O-N 2.69Å; F244-E246 VanDerWaalsContact O-N 3.17Å; F244-G247 PolarHBondContact O-N 3.43Å; F244-C251 HydrophobicContact CD1-CB 3.89Å; F244-C251 HydrophobicContact CE1-CB 3.64Å; F244-C251 HydrophobicContact CZ-CB 4.48Å; F244-Y254 HydrophobicContact CZ-CD1 4.1Å; F244-Y254 HydrophobicContact CZ-CE1 4.46Å; F244-C288 HydrophobicContact CD2-CB 4.38Å; F244-C288 HydrophobicContact CE2-CB 3.73Å; F244-C288 HydrophobicContact CZ-CB 3.96Å; F244-T291 WeakPolarHBondContact CB-O 3.15Å; F244-A292 PolarHBondContact N-O 3.11Å
245S87.3Confident91.8Very high80 Ų8039.7 Ų39.756%0.55923%0.234SC*.THydrogen-bonded Turntrans-63.2-25.4-175.273.80000113.9N243 A292N243-S245 WeakPolarHBondContact OD1-CB 3.44Å; N243-S245 PolarHBondContact OD1-N 3.46Å; N243-S245 PolarHBondContact OD1-OG 2.87Å; S245-A292 PolarHBondContact N-O 3.02Å
246E79.8Confident92Very high86 Ų8637.6 Ų37.640%0.40221%0.213SC..THydrogen-bonded Turntrans-106.821.2177.4-53.8176.5-152.600112.8K221 K224 F244K221-E246 WeakPolarHBondContact CD-O 3.15Å; K221-E246 WeakPolarHBondContact CE-O 3.38Å; K221-E246 PolarHBondContact NZ-O 2.69Å; K221-E246 IonicContact NZ-OE2 2.85Å; K221-E246 PolarHBondContact NZ-OE2 3.09Å; K224-E246 WeakPolarHBondContact CE-OE2 3.41Å; K224-E246 IonicContact NZ-OE1 3.26Å; K224-E246 PolarHBondContact NZ-OE1 2.98Å; K224-E246 IonicContact NZ-OE2 2.69Å; K224-E246 PolarHBondContact NZ-OE2 3.25Å; F244-E246 PolarHBondContact O-N 2.69Å; F244-E246 VanDerWaalsContact O-N 3.17Å
247G80.8Confident92.2Very high25 Ų2536.6 Ų36.626%0.25821%0.209SC..  trans-87.6132.5175.900000111.2K221 F244 I249K221-G247 CarbonylContact O-C 3.55Å; K221-G247 WeakPolarHBondContact O-CA 3.42Å; F244-G247 PolarHBondContact O-N 3.43Å; G247-I249 VanDerWaalsContact C-N 3.33Å
248D84Confident92.3Very high126 Ų12632.6 Ų32.667%0.67419%0.187SC*.SBendtrans-76.5-27.8172.6-50.1-54.1000111.1K221K221-D248 WeakPolarHBondContact CB-OD2 3.33Å; K221-D248 PolarHBondContact N-OD2 2.73Å; K221-D248 PolarHBondContact O-N 2.91Å
249I88.1Confident92.4Very high14 Ų1433.7 Ų33.77%0.07219%0.193CC..SBendtrans-110.1125.5-175.6-54.4169.1000109.6N217 R219 G220 K221 V222 G247 C251 T325N217-I249 HydrophobicContact CB-CD1 3.76Å; R219-I249 HydrophobicContact CB-CD1 3.62Å; R219-I249 HydrophobicContact CB-CG1 4.27Å; G220-I249 WeakPolarHBondContact O-CD1 3.36Å; K221-I249 PolarHBondContact O-N 2.91Å; V222-I249 HydrophobicContact CG2-CB 4.28Å; V222-I249 HydrophobicContact CG2-CD1 4.13Å; G247-I249 VanDerWaalsContact C-N 3.33Å; I249-C251 PolarHBondContact O-N 3.38Å; I249-T325 HydrophobicContact CG2-CG2 4.09Å
250P87.9Confident92.5Very high38 Ų3831.1 Ų31.125%0.24718%0.178CC..  trans-66.9121.117628.1-34.9000111T325 A326P250-T325 WeakPolarHBondContact O-CA 3.21Å; P250-A326 HydrophobicContact CG-CB 3.88Å; P250-A326 PolarHBondContact O-N 2.99Å
251C90.7Very high92.5Very high6 Ų632.9 Ų32.94%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-86.5121.2171.4-165.70000109.2V222 F244 I249 C288 L289V222-C251 HydrophobicContact CG1-CB 3.79Å; F244-C251 HydrophobicContact CD1-CB 3.89Å; F244-C251 HydrophobicContact CE1-CB 3.64Å; F244-C251 HydrophobicContact CZ-CB 4.48Å; I249-C251 PolarHBondContact O-N 3.38Å; C251-C288 VanDerWaalsContact C-SG 3.55Å; C251-C288 CarbonylContact O-C 3.54Å; C251-C288 PolarHBondContact O-SG 3.49Å; C251-C288 PolarHBondContact SG-SG 2.94Å; C251-L289 PolarHBondContact O-N 3.39Å
252L92Very high92.6Very high26 Ų2630.6 Ų30.614%0.13617%0.171CC..EExtended strand (participates in β ladder)trans-82.1-45.2-179.7-57.9179.9000110.8S287 C288 L289 V324 A326 M330 V351 V353L252-S287 CarbonylContact O-C 3.57Å; L252-S287 WeakPolarHBondContact O-CA 3.41Å; L252-C288 PolarHBondContact O-N 2.58Å; L252-L289 HydrophobicContact CD2-CB 4.36Å; L252-L289 HydrophobicContact CD2-CD1 3.74Å; L252-L289 HydrophobicContact CD2-CD2 4.42Å; L252-L289 HydrophobicContact CD2-CG 4.38Å; L252-L289 PolarHBondContact O-N 2.75Å; L252-V324 HydrophobicContact CB-CG1 4.42Å; L252-V324 HydrophobicContact CD1-CG1 4.32Å; L252-V324 PolarHBondContact N-O 2.84Å; L252-A326 HydrophobicContact CD1-CB 4.25Å; L252-A326 HydrophobicContact CD2-CB 4.19Å; L252-A326 HydrophobicContact CG-CB 4.29Å; L252-M330 HydrophobicContact CD2-CE 3.87Å; L252-V351 HydrophobicContact CD1-CG1 3.8Å; L252-V353 HydrophobicContact CD1-CG1 3.44Å; L252-V353 VanDerWaalsContact CD1-CG1 3.44Å
253Q94.8Very high92.6Very high71 Ų7132.6 Ų32.633%0.33218%0.181SC..EExtended strand (participates in β ladder)trans-152.5146.5-175.5-175.7-176.1-30.100109.4V285 E286 V324Q253-V285 HydrophobicContact CG-CG1 4.1Å; Q253-E286 WeakPolarHBondContact CA-O 3.17Å; Q253-E286 VanDerWaalsContact CG-O 3.29Å; Q253-E286 WeakPolarHBondContact CG-O 3.18Å; Q253-V324 HydrophobicContact CB-CB 4.2Å; Q253-V324 HydrophobicContact CB-CG2 4.31Å; Q253-V324 PolarHBondContact N-O 2.85Å; Q253-V324 PolarHBondContact O-N 2.89Å
254Y96Very high92.6Very high1 Ų130.3 Ų30.30%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-127.7154.7166.174.9-85.9000110.3F242 F244 V256 E286 C288 S294 H295 F296 E322F242-Y254 HydrophobicContact CD2-CD2 4.25Å; F242-Y254 HydrophobicContact CD2-CE1 4.3Å; F242-Y254 AromaticContact CD2-CE2 3.83Å; F242-Y254 HydrophobicContact CD2-CE2 3.83Å; F242-Y254 AromaticContact CD2-CZ 3.87Å; F242-Y254 AromaticContact CE2-CD2 3.7Å; F242-Y254 HydrophobicContact CE2-CD2 3.7Å; F242-Y254 AromaticContact CE2-CE2 3.48Å; F242-Y254 HydrophobicContact CE2-CE2 3.48Å; F242-Y254 VanDerWaalsContact CE2-CE2 3.48Å; F242-Y254 HydrophobicContact CE2-CG 4.4Å; F242-Y254 HydrophobicContact CZ-CD2 4.29Å; F242-Y254 HydrophobicContact CZ-CE2 4.47Å; F244-Y254 HydrophobicContact CZ-CD1 4.1Å; F244-Y254 HydrophobicContact CZ-CE1 4.46Å; Y254-V256 HydrophobicContact CD2-CG2 3.7Å; Y254-V256 HydrophobicContact CE2-CG2 3.75Å; Y254-E286 HydrophobicContact CD1-CB 4.34Å; Y254-E286 HydrophobicContact CE1-CB 3.66Å; Y254-E286 HydrophobicContact CE1-CG 4.23Å; Y254-E286 PolarHBondContact N-O 3.2Å; Y254-E286 PolarHBondContact O-N 2.87Å; Y254-E286 PolarHBondContact OH-OE2 3.12Å; Y254-C288 HydrophobicContact CD1-CB 4.13Å; Y254-C288 HydrophobicContact CE1-CB 4.35Å; Y254-S294 WeakPolarHBondContact CE1-OG 3.47Å; Y254-S294 PolarHBondContact OH-OG 3.49Å; Y254-H295 PolarHBondContact OH-O 2.86Å; Y254-F296 HydrophobicContact CE2-CD1 4.31Å; Y254-E322 CarbonylContact C-O 3.58Å; Y254-E322 WeakPolarHBondContact CA-O 3.39Å
255S97.6Very high92.7Very high3 Ų332.2 Ų32.22%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-132.9144.9166.980.70000111.2R283 H284 F321 E322S255-R283 PolarHBondContact OG-NE 2.96Å; S255-R283 PolarHBondContact OG-NH2 3.27Å; S255-R283 VanDerWaalsContact OG-NH2 3.14Å; S255-H284 CarbonylContact C-O 3.48Å; S255-H284 WeakPolarHBondContact CA-O 3.43Å; S255-H284 WeakPolarHBondContact CB-O 3.26Å; S255-F321 CarbonylContact O-C 3.53Å; S255-F321 VanDerWaalsContact O-CA 3.28Å; S255-F321 WeakPolarHBondContact O-CA 3.3Å; S255-E322 PolarHBondContact N-O 2.82Å; S255-E322 PolarHBondContact O-N 3.27Å; S255-E322 PolarHBondContact OG-OE2 3.35Å
256V97.9Very high92.9Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-126.8130.5178.6-166.60000107.8F242 Y254 R283 H284 F296 L298 L319 H320 F321F242-V256 HydrophobicContact CE2-CG2 4.37Å; Y254-V256 HydrophobicContact CD2-CG2 3.7Å; Y254-V256 HydrophobicContact CE2-CG2 3.75Å; V256-R283 CarbonylContact O-C 3.56Å; V256-R283 WeakPolarHBondContact O-CA 3.31Å; V256-H284 PolarHBondContact N-O 2.9Å; V256-H284 PolarHBondContact O-N 3.48Å; V256-F296 HydrophobicContact CB-CD1 4.47Å; V256-F296 HydrophobicContact CB-CE1 4.43Å; V256-F296 HydrophobicContact CB-CZ 4.47Å; V256-F296 HydrophobicContact CG1-CD2 4.49Å; V256-F296 HydrophobicContact CG1-CE1 4.18Å; V256-F296 HydrophobicContact CG1-CE2 4.02Å; V256-F296 HydrophobicContact CG1-CZ 3.85Å; V256-F296 HydrophobicContact CG2-CD1 3.78Å; V256-F296 HydrophobicContact CG2-CE1 3.83Å; V256-F296 HydrophobicContact CG2-CG 4.19Å; V256-F296 HydrophobicContact CG2-CZ 4.35Å; V256-L298 HydrophobicContact CB-CD1 3.95Å; V256-L298 HydrophobicContact CG1-CD1 3.7Å; V256-L319 HydrophobicContact CG1-CB 4.42Å; V256-L319 HydrophobicContact CG1-CD2 4.32Å; V256-H320 CarbonylContact C-O 3.58Å; V256-H320 WeakPolarHBondContact CA-O 3.46Å; V256-F321 HydrophobicContact CB-CD1 4.16Å; V256-F321 HydrophobicContact CB-CE1 4.16Å; V256-F321 HydrophobicContact CG1-CD1 3.79Å; V256-F321 HydrophobicContact CG1-CE1 3.48Å; V256-F321 VanDerWaalsContact CG1-CE1 3.48Å; V256-F321 HydrophobicContact CG1-CE2 4.49Å; V256-F321 HydrophobicContact CG1-CG 4.41Å; V256-F321 HydrophobicContact CG1-CZ 3.88Å; V256-F321 HydrophobicContact CG2-CD1 3.5Å; V256-F321 VanDerWaalsContact CG2-CD1 3.5Å; V256-F321 HydrophobicContact CG2-CE1 3.59Å
257S97.9Very high93.4Very high11 Ų1138.7 Ų38.78%0.07720%0.199CC..EExtended strand (participates in β ladder)trans-129.1136.4175.659.10000111.4Q259 G282 L319 H320S257-Q259 PolarHBondContact OG-NE2 3.21Å; S257-G282 WeakPolarHBondContact CA-O 3.49Å; S257-G282 WeakPolarHBondContact CB-O 3.28Å; S257-L319 WeakPolarHBondContact O-CA 3.49Å; S257-H320 PolarHBondContact N-O 2.75Å; S257-H320 PolarHBondContact O-N 2.87Å; S257-H320 PolarHBondContact OG-O 2.93Å
258L98.2Very high93.9Very high1 Ų139.8 Ų39.81%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-82.3120.9170.2-18063.9000108.2I238 H281 G282 V300 W317 L319 V362I238-L258 HydrophobicContact CD1-CD1 3.79Å; I238-L258 HydrophobicContact CD1-CD2 4.32Å; L258-H281 HydrophobicContact CD2-CB 4.5Å; L258-H281 PolarHBondContact O-N 2.82Å; L258-G282 PolarHBondContact N-O 2.87Å; L258-G282 VanDerWaalsContact N-O 3.12Å; L258-V300 HydrophobicContact CD2-CB 4.43Å; L258-V300 HydrophobicContact CD2-CG1 4.4Å; L258-V300 HydrophobicContact CD2-CG2 4.09Å; L258-W317 HydrophobicContact CD1-CE3 3.73Å; L258-W317 HydrophobicContact CD1-CZ3 4.19Å; L258-W317 HydrophobicContact CD2-CE3 4.11Å; L258-W317 HydrophobicContact CD2-CZ3 3.75Å; L258-W317 HydrophobicContact CG-CE3 3.78Å; L258-W317 HydrophobicContact CG-CZ3 3.7Å; L258-L319 HydrophobicContact CB-CD2 4.44Å; L258-L319 HydrophobicContact CD1-CD2 4.03Å; L258-V362 HydrophobicContact CD1-CG2 4.24Å
259Q97.6Very high94.2Very high24 Ų2436.9 Ų36.911%0.11218%0.175CC..EExtended strand (participates in β ladder)trans-125.7141.6-175.2-62.4-178.2-6.800111.2S257 V278 T279 W317 R318 H320S257-Q259 PolarHBondContact OG-NE2 3.21Å; Q259-V278 HydrophobicContact CB-CG1 3.89Å; Q259-V278 HydrophobicContact CG-CG1 4.17Å; Q259-V278 VanDerWaalsContact OE1-CG1 3.29Å; Q259-T279 CarbonylContact C-O 3.57Å; Q259-T279 VanDerWaalsContact CA-O 3.29Å; Q259-T279 WeakPolarHBondContact CA-O 3.33Å; Q259-W317 WeakPolarHBondContact O-CA 3.19Å; Q259-R318 HydrophobicContact CB-CG 4.03Å; Q259-R318 PolarHBondContact N-O 2.92Å; Q259-R318 PolarHBondContact O-N 3.09Å; Q259-R318 VanDerWaalsContact OE1-CZ 3.32Å; Q259-H320 HydrophobicContact CG-CB 4.12Å; Q259-H320 PolarHBondContact NE2-CD2 3.31Å
260S97.6Very high94.3Very high8 Ų843.2 Ų43.26%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-103.7133.2167.667.60000110.2V278 T279 H281 R316S260-V278 WeakPolarHBondContact O-CA 3.31Å; S260-T279 PolarHBondContact N-O 2.94Å; S260-T279 PolarHBondContact O-N 2.95Å; S260-H281 WeakPolarHBondContact CB-NE2 3.29Å; S260-H281 PolarHBondContact OG-NE2 2.8Å; S260-R316 CarbonylContact C-O 3.6Å; S260-R316 WeakPolarHBondContact CA-O 3.34Å
261E97.3Very high94.3Very high36 Ų3650 Ų5017%0.16822%0.219CC..EExtended strand (participates in β ladder)trans-109.2110.4179.8-66.3-175.2140.300109.5I276 V278 L315 R316 R318E261-I276 HydrophobicContact CB-CG2 3.82Å; E261-I276 HydrophobicContact CG-CG2 4.36Å; E261-V278 HydrophobicContact CG-CG2 4.32Å; E261-L315 CarbonylContact O-C 3.55Å; E261-L315 WeakPolarHBondContact O-CA 3.47Å; E261-R316 HydrophobicContact CB-CB 4.44Å; E261-R316 PolarHBondContact N-O 2.97Å; E261-R316 PolarHBondContact O-N 2.88Å; E261-R318 HydrophobicContact CG-CG 4.36Å; E261-R318 WeakPolarHBondContact OE1-CD 3.1Å; E261-R318 IonicContact OE1-CZ 3.01Å; E261-R318 IonicContact OE1-NE 2.65Å; E261-R318 PolarHBondContact OE1-NE 3Å; E261-R318 IonicContact OE1-NH1 2.74Å; E261-R318 PolarHBondContact OE1-NH1 2.81Å
262E96.9Very high93.8Very high6 Ų655.6 Ų55.63%0.02826%0.255CS..EExtended strand (participates in β ladder)trans-94.2106.1173176.5-172.7-155.900108.7F126 Q129 A130 V131 S277 L315F126-E262 HydrophobicContact CE1-CG 4.46Å; F126-E262 HydrophobicContact CZ-CG 4.43Å; Q129-E262 WeakPolarHBondContact CB-OE2 3.29Å; Q129-E262 PolarHBondContact N-OE2 2.84Å; A130-E262 WeakPolarHBondContact CA-OE1 3.41Å; A130-E262 HydrophobicContact CB-CG 4.41Å; A130-E262 VanDerWaalsContact CB-OE1 3.24Å; A130-E262 WeakPolarHBondContact CB-OE1 3.32Å; A130-E262 PolarHBondContact N-OE1 2.77Å; A130-E262 PolarHBondContact N-OE2 3.05Å; V131-E262 PolarHBondContact N-OE1 2.85Å; V131-E262 VanDerWaalsContact N-OE1 3.15Å; E262-S277 PolarHBondContact N-O 3.43Å; E262-S277 PolarHBondContact O-N 2.91Å; E262-L315 HydrophobicContact CB-CD1 4.13Å
263E95.8Very high93.4Very high44 Ų4463.2 Ų63.221%0.20629%0.29CS..EExtended strand (participates in β ladder)trans-102.1126.8177.1-179.2173.2-157.600110.1R269 I276 V313 T314 R316E263-R269 IonicContact OE1-NH2 2.75Å; E263-R269 PolarHBondContact OE1-NH2 2.99Å; E263-I276 HydrophobicContact CB-CG1 4.42Å; E263-I276 HydrophobicContact CG-CG1 4.38Å; E263-V313 CarbonylContact O-C 3.47Å; E263-V313 VanDerWaalsContact O-CA 3.25Å; E263-V313 WeakPolarHBondContact O-CA 3.28Å; E263-T314 PolarHBondContact N-O 3.49Å; E263-T314 PolarHBondContact O-N 3.09Å; E263-R316 IonicContact OE2-CZ 3.63Å; E263-R316 IonicContact OE2-NH1 3.46Å; E263-R316 PolarHBondContact OE2-NH1 2.66Å; E263-R316 IonicContact OE2-NH2 3.09Å
264I95.6Very high93Very high8 Ų861.5 Ų61.54%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-86.4133173.4-55.1166.9000108.4R59 V60 A130 R269 Q274 V313R59-I264 HydrophobicContact CB-CD1 4.06Å; R59-I264 WeakPolarHBondContact O-CD1 3.32Å; V60-I264 HydrophobicContact CG2-CD1 4.19Å; A130-I264 HydrophobicContact CB-CD1 3.58Å; A130-I264 HydrophobicContact CB-CG1 3.68Å; I264-R269 HydrophobicContact CB-CG 4.16Å; I264-R269 HydrophobicContact CG2-CG 4.06Å; I264-R269 PolarHBondContact O-NE 3.37Å; I264-R269 PolarHBondContact O-NH2 3.43Å; I264-Q274 VanDerWaalsContact CD1-NE2 3.29Å; I264-V313 HydrophobicContact CG1-CG1 4.19Å
265Q93.4Very high92.7Very high62 Ų6265.3 Ų65.329%0.2931%0.314SS..PPolyproline II helixtrans-60.7140.5176.7-68.4-63.9-19.800110.9Q267 Y268 R269 D311 I312 T314Q265-Q267 PolarHBondContact O-N 3.45Å; Q265-Q267 VanDerWaalsContact O-N 3.1Å; Q265-Y268 HydrophobicContact CB-CD2 4.23Å; Q265-Y268 PolarHBondContact O-N 2.85Å; Q265-R269 PolarHBondContact O-N 3.02Å; Q265-D311 WeakPolarHBondContact CB-O 3.42Å; Q265-D311 VanDerWaalsContact CG-O 3.26Å; Q265-D311 WeakPolarHBondContact CG-O 3.15Å; Q265-I312 PolarHBondContact N-O 3.31Å; Q265-T314 PolarHBondContact NE2-OG1 3Å
266Q90.8Very high92.5Very high164 Ų16468.7 Ų68.777%0.76633%0.331SS*.G310 helixtrans-53.8-39.4-167.9-171.6176.46.900113.2Y268 R269Q266-Y268 VanDerWaalsContact C-N 3.25Å; Q266-Y268 PolarHBondContact O-N 3.39Å; Q266-R269 PolarHBondContact O-N 2.79Å
267Q90.3Very high92.3Very high139 Ų13969.3 Ų69.365%0.6534%0.335SS*.G310 helixtrans-65.2-23.4179.667.9-168.5-1.800114.5Q265Q265-Q267 PolarHBondContact O-N 3.45Å; Q265-Q267 VanDerWaalsContact O-N 3.1Å
268Y91.6Very high92.3Very high48 Ų4872 Ų7219%0.18835%0.351CS..G310 helixtrans-1085.5-178.7-61.2-64.2000112.7V60 A61 L62 P63 Q265 Q266 D311 I312V60-Y268 WeakPolarHBondContact CA-O 3.42Å; A61-Y268 PolarHBondContact N-O 2.89Å; A61-Y268 WeakPolarHBondContact O-CD1 3.43Å; L62-Y268 HydrophobicContact CD2-CD1 4.34Å; P63-Y268 HydrophobicContact CG-CE1 4.48Å; Q265-Y268 HydrophobicContact CB-CD2 4.23Å; Q265-Y268 PolarHBondContact O-N 2.85Å; Q266-Y268 VanDerWaalsContact C-N 3.25Å; Q266-Y268 PolarHBondContact O-N 3.39Å; Y268-D311 VanDerWaalsContact CD2-O 3.27Å; Y268-D311 WeakPolarHBondContact CD2-O 3.48Å; Y268-D311 HydrophobicContact CE2-CB 4.38Å; Y268-D311 WeakPolarHBondContact CE2-O 3.36Å; Y268-I312 HydrophobicContact CD2-CB 4.19Å; Y268-I312 HydrophobicContact CD2-CG1 4.03Å; Y268-I312 HydrophobicContact CD2-CG2 4.24Å; Y268-I312 HydrophobicContact CE2-CG1 3.92Å; Y268-I312 HydrophobicContact CG-CG2 4.29Å
269R91.4Very high92.2Very high64 Ų6474.6 Ų74.624%0.24237%0.367CS..BIsolated β-bridgetrans-71.3133.9175.1-69.5-177.4-174.1176.71.5110E263 I264 Q265 Q266 R271E263-R269 IonicContact OE1-NH2 2.75Å; E263-R269 PolarHBondContact OE1-NH2 2.99Å; I264-R269 HydrophobicContact CB-CG 4.16Å; I264-R269 HydrophobicContact CG2-CG 4.06Å; I264-R269 PolarHBondContact O-NE 3.37Å; I264-R269 PolarHBondContact O-NH2 3.43Å; Q265-R269 PolarHBondContact O-N 3.02Å; Q266-R269 PolarHBondContact O-N 2.79Å; R269-R271 VanDerWaalsContact C-N 3.33Å; R269-R271 WeakPolarHBondContact CB-O 3.3Å
270R88.4Confident92.1Very high147 Ų14776 Ų7656%0.55539%0.388SS*.SBendtrans-70-33.7171-86.2-77.1-171.2-177.14.6112.1E57 R59 V60 A61E57-R270 PolarHBondContact O-NE 3.18Å; E57-R270 VanDerWaalsContact O-NE 3.11Å; E57-R270 PolarHBondContact O-NH2 3.07Å; R59-R270 PolarHBondContact O-N 2.93Å; V60-R270 PolarHBondContact O-NE 3.03Å; A61-R270 HydrophobicContact CB-CG 4.01Å
271R88.1Confident91.9Very high182 Ų18278.2 Ų78.269%0.68740%0.397SS*.SBendtrans-128.4137-179-58.8179.5-174.4173.30.7109.3R269 E273 Q274R269-R271 VanDerWaalsContact C-N 3.33Å; R269-R271 WeakPolarHBondContact CB-O 3.3Å; R271-E273 VanDerWaalsContact C-N 3.28Å; R271-E273 PolarHBondContact O-N 2.79Å; R271-Q274 HydrophobicContact CB-CB 4.33Å; R271-Q274 VanDerWaalsContact O-CB 3.25Å; R271-Q274 WeakPolarHBondContact O-CB 3.42Å; R271-Q274 PolarHBondContact O-N 3.2Å
272P80.7Confident91.8Very high122 Ų12278 Ų7879%0.79240%0.404SS*.THydrogen-bonded Turntrans-59.8-38.1-178.820.5-30.3000112.6Q274P272-Q274 VanDerWaalsContact C-N 3.33Å; P272-Q274 PolarHBondContact O-N 3.12Å
273E84.6Confident91.8Very high187 Ų18785 Ų8587%0.87443%0.431SS*.THydrogen-bonded Turntrans-94.130.6179.3-61.2-176171.500113.5R271 A275R271-E273 VanDerWaalsContact C-N 3.28Å; R271-E273 PolarHBondContact O-N 2.79Å; E273-A275 PolarHBondContact O-N 3.44Å
274Q86.4Confident91.8Very high34 Ų3485.4 Ų85.416%0.15943%0.432CS..PPolyproline II helixtrans-70.6120.3-179.9-170.6167.7-9.900111.4R59 I264 R271 P272R59-Q274 VanDerWaalsContact CA-NE2 3.33Å; R59-Q274 VanDerWaalsContact CB-NE2 3.31Å; R59-Q274 PolarHBondContact O-NE2 2.88Å; R59-Q274 PolarHBondContact O-OE1 3.11Å; I264-Q274 VanDerWaalsContact CD1-NE2 3.29Å; R271-Q274 HydrophobicContact CB-CB 4.33Å; R271-Q274 VanDerWaalsContact O-CB 3.25Å; R271-Q274 WeakPolarHBondContact O-CB 3.42Å; R271-Q274 PolarHBondContact O-N 3.2Å; P272-Q274 VanDerWaalsContact C-N 3.33Å; P272-Q274 PolarHBondContact O-N 3.12Å
275A88.6Confident91.8Very high82 Ų8288.3 Ų88.368%0.67845%0.45SS*.PPolyproline II helixtrans-65.6148.8179.500000112.6E273E273-A275 PolarHBondContact O-N 3.44Å
276I93.4Very high91.9Very high74 Ų7488 Ų8838%0.37945%0.449SS..PPolyproline II helixtrans-63.8136.2172.3-61.7173.5000108.8E261 E263 V278E261-I276 HydrophobicContact CB-CG2 3.82Å; E261-I276 HydrophobicContact CG-CG2 4.36Å; E263-I276 HydrophobicContact CB-CG1 4.42Å; E263-I276 HydrophobicContact CG-CG1 4.38Å; I276-V278 HydrophobicContact CG2-CG2 4.5Å; I276-V278 PolarHBondContact O-N 3.4Å
277S94.4Very high92Very high12 Ų1284.3 Ų84.38%0.08444%0.441CS..EExtended strand (participates in β ladder)trans-85.9114.4179.7-59.70000109.7R59 E262R59-S277 PolarHBondContact NH1-OG 2.86Å; E262-S277 PolarHBondContact N-O 3.43Å; E262-S277 PolarHBondContact O-N 2.91Å
278V96.4Very high91.9Very high68 Ų6877.9 Ų77.941%0.41241%0.412SS..EExtended strand (participates in β ladder)trans-105.9132.5-177.6-172.50000110Q259 S260 E261 I276Q259-V278 HydrophobicContact CB-CG1 3.89Å; Q259-V278 HydrophobicContact CG-CG1 4.17Å; Q259-V278 VanDerWaalsContact OE1-CG1 3.29Å; S260-V278 WeakPolarHBondContact O-CA 3.31Å; E261-V278 HydrophobicContact CG-CG2 4.32Å; I276-V278 HydrophobicContact CG2-CG2 4.5Å; I276-V278 PolarHBondContact O-N 3.4Å
279T96.6Very high91.7Very high55 Ų5578.6 Ų78.634%0.33742%0.418SS..EExtended strand (participates in β ladder)trans-127.2129.5175.3-56.70000109.8Q259 S260 H281Q259-T279 CarbonylContact C-O 3.57Å; Q259-T279 VanDerWaalsContact CA-O 3.29Å; Q259-T279 WeakPolarHBondContact CA-O 3.33Å; S260-T279 PolarHBondContact N-O 2.94Å; S260-T279 PolarHBondContact O-N 2.95Å; T279-H281 PolarHBondContact O-CD2 2.82Å
280G95.9Very high91.3Very high53 Ų5380.4 Ų80.455%0.54643%0.429SS..EExtended strand (participates in β ladder)trans-89.6139.3176.600000112.5
281H94.3Very high91.2Very high56 Ų5675.6 Ų75.626%0.25942%0.416SS..EExtended strand (participates in β ladder)trans-118-5.3-174.8-64.7-76.8000114L258 S260 T279 P301 V304 W317L258-H281 HydrophobicContact CD2-CB 4.5Å; L258-H281 PolarHBondContact O-N 2.82Å; S260-H281 WeakPolarHBondContact CB-NE2 3.29Å; S260-H281 PolarHBondContact OG-NE2 2.8Å; T279-H281 PolarHBondContact O-CD2 2.82Å; H281-P301 HydrophobicContact CB-CG 4.11Å; H281-V304 VanDerWaalsContact ND1-CG1 3.29Å; H281-V304 WeakPolarHBondContact ND1-CG1 3.39Å; H281-W317 HydrophobicContact CB-CZ3 4.23Å; H281-W317 AromaticContact CD2-CH2 3.39Å; H281-W317 WeakPolarHBondContact CD2-CH2 3.48Å; H281-W317 AromaticContact CD2-CZ3 3.29Å; H281-W317 WeakPolarHBondContact CD2-CZ3 3.48Å; H281-W317 AromaticContact CG-CH2 3.78Å; H281-W317 AromaticContact CG-CZ3 3.81Å; H281-W317 AromaticContact NE2-CH2 3.55Å; H281-W317 AromaticContact NE2-CZ3 3.9Å
282G94.1Very high91.2Very high31 Ų3169.8 Ų69.832%0.3241%0.407SS..EExtended strand (participates in β ladder)trans176.3150.2177.900000109.6S257 L258S257-G282 WeakPolarHBondContact CA-O 3.49Å; S257-G282 WeakPolarHBondContact CB-O 3.28Å; L258-G282 PolarHBondContact N-O 2.87Å; L258-G282 VanDerWaalsContact N-O 3.12Å
283R96.1Very high91.8Very high154 Ų15468.1 Ų68.158%0.58140%0.398SS*.EExtended strand (participates in β ladder)trans-139.8131.9177.9-171-179.6-171.7179.66.8109.9S255 V256 V285 E322S255-R283 PolarHBondContact OG-NE 2.96Å; S255-R283 PolarHBondContact OG-NH2 3.27Å; S255-R283 VanDerWaalsContact OG-NH2 3.14Å; V256-R283 CarbonylContact O-C 3.56Å; V256-R283 WeakPolarHBondContact O-CA 3.31Å; R283-V285 HydrophobicContact CG-CG2 4.03Å; R283-E322 IonicContact CZ-OE2 2.75Å; R283-E322 IonicContact NH2-OE2 2.58Å; R283-E322 PolarHBondContact NH2-OE2 3.11Å
284H96.8Very high92.3Very high51 Ų5159.6 Ų59.624%0.23636%0.359CS..EExtended strand (participates in β ladder)trans-111.9140.1170.3-177.784.2000108.4S255 V256 E286 F296 L298S255-H284 CarbonylContact C-O 3.48Å; S255-H284 WeakPolarHBondContact CA-O 3.43Å; S255-H284 WeakPolarHBondContact CB-O 3.26Å; V256-H284 PolarHBondContact N-O 2.9Å; V256-H284 PolarHBondContact O-N 3.48Å; H284-E286 IonicContact NE2-OE2 3.52Å; H284-E286 PolarHBondContact NE2-OE2 2.99Å; H284-F296 HydrophobicContact CB-CB 4.23Å; H284-F296 WeakPolarHBondContact CD2-CB 3.47Å; H284-L298 HydrophobicContact CB-CD2 3.82Å; H284-L298 HydrophobicContact CB-CG 4.16Å
285V96.3Very high92.7Very high70 Ų7063.7 Ų63.742%0.42438%0.379SS..EExtended strand (participates in β ladder)trans-139.3131.9-178.7-175.30000108Q253 R283Q253-V285 HydrophobicContact CG-CG1 4.1Å; R283-V285 HydrophobicContact CG-CG2 4.03Å
286E94.7Very high93Very high54 Ų5459.9 Ų59.925%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-144.3138.7178.9-170179.6157.800110.9Q253 Y254 H284 S294Q253-E286 WeakPolarHBondContact CA-O 3.17Å; Q253-E286 VanDerWaalsContact CG-O 3.29Å; Q253-E286 WeakPolarHBondContact CG-O 3.18Å; Y254-E286 HydrophobicContact CD1-CB 4.34Å; Y254-E286 HydrophobicContact CE1-CB 3.66Å; Y254-E286 HydrophobicContact CE1-CG 4.23Å; Y254-E286 PolarHBondContact N-O 3.2Å; Y254-E286 PolarHBondContact O-N 2.87Å; Y254-E286 PolarHBondContact OH-OE2 3.12Å; H284-E286 IonicContact NE2-OE2 3.52Å; H284-E286 PolarHBondContact NE2-OE2 2.99Å; E286-S294 PolarHBondContact OE1-OG 3.1Å; E286-S294 PolarHBondContact OE2-OG 3.44Å
287S92.4Very high93.2Very high88 Ų8858.8 Ų58.862%0.61535%0.345SS*.EExtended strand (participates in β ladder)trans-86.1122.5170.7-60.10000108.8L252L252-S287 CarbonylContact O-C 3.57Å; L252-S287 WeakPolarHBondContact O-CA 3.41Å
288C88.9Confident93.3Very high3 Ų358.5 Ų58.52%0.0234%0.343CS..  trans-119.910.8-16959.80000113.5F244 C251 L252 Y254 H290 T291F244-C288 HydrophobicContact CD2-CB 4.38Å; F244-C288 HydrophobicContact CE2-CB 3.73Å; F244-C288 HydrophobicContact CZ-CB 3.96Å; C251-C288 VanDerWaalsContact C-SG 3.55Å; C251-C288 CarbonylContact O-C 3.54Å; C251-C288 PolarHBondContact O-SG 3.49Å; C251-C288 PolarHBondContact SG-SG 2.94Å; L252-C288 PolarHBondContact O-N 2.58Å; Y254-C288 HydrophobicContact CD1-CB 4.13Å; Y254-C288 HydrophobicContact CE1-CB 4.35Å; C288-H290 PolarHBondContact O-N 3.21Å; C288-T291 WeakPolarHBondContact CA-OG1 3.41Å; C288-T291 WeakPolarHBondContact CB-OG1 3.49Å; C288-T291 WeakPolarHBondContact O-CB 3.36Å; C288-T291 PolarHBondContact O-N 3.41Å; C288-T291 PolarHBondContact O-OG1 3.09Å
289L86.8Confident93.3Very high63 Ų6359 Ų5933%0.3335%0.347SS..THydrogen-bonded Turntrans-55.2129175.1176.965000110.6C251 L252 T291 M330C251-L289 PolarHBondContact O-N 3.39Å; L252-L289 HydrophobicContact CD2-CB 4.36Å; L252-L289 HydrophobicContact CD2-CD1 3.74Å; L252-L289 HydrophobicContact CD2-CD2 4.42Å; L252-L289 HydrophobicContact CD2-CG 4.38Å; L252-L289 PolarHBondContact O-N 2.75Å; L289-T291 PolarHBondContact O-N 3.45Å; L289-T291 VanDerWaalsContact O-N 3.15Å; L289-M330 HydrophobicContact CD1-CE 4.47Å; L289-M330 HydrophobicContact CD1-SD 3.62Å; L289-M330 HydrophobicContact CD2-CE 4.49Å; L289-M330 HydrophobicContact CD2-SD 3.52Å; L289-M330 VanDerWaalsContact CD2-SD 3.52Å; L289-M330 HydrophobicContact CG-SD 4.2Å
290H82.4Confident93.3Very high103 Ų10356.4 Ų56.448%0.47733%0.332SS..THydrogen-bonded Turntrans59.115.7-177.1-53.7137.2000115.7C288C288-H290 PolarHBondContact O-N 3.21Å
291T86.6Confident93.2Very high45 Ų4555.3 Ų55.328%0.27632%0.315SS..  trans-88.6134.9171.765.80000110.2F244 C288 L289F244-T291 WeakPolarHBondContact CB-O 3.15Å; C288-T291 WeakPolarHBondContact CA-OG1 3.41Å; C288-T291 WeakPolarHBondContact CB-OG1 3.49Å; C288-T291 WeakPolarHBondContact O-CB 3.36Å; C288-T291 PolarHBondContact O-N 3.41Å; C288-T291 PolarHBondContact O-OG1 3.09Å; L289-T291 PolarHBondContact O-N 3.45Å; L289-T291 VanDerWaalsContact O-N 3.15Å
292A88.8Confident93.2Very high61 Ų6154.8 Ų54.850%0.50431%0.314SS..SBendtrans-78.7-33.9176.200000111.8N243 F244 S245N243-A292 PolarHBondContact OD1-O 3.4Å; F244-A292 PolarHBondContact N-O 3.11Å; S245-A292 PolarHBondContact N-O 3.02Å
293S92.9Very high93Very high86 Ų8658.1 Ų58.160%0.60132%0.324SS*.EExtended strand (participates in β ladder)trans-149155.6177.8610000110.8F242F242-S293 CarbonylContact O-C 3.57Å; F242-S293 WeakPolarHBondContact O-CA 3.42Å; F242-S293 WeakPolarHBondContact O-CB 3.02Å
294S94.7Very high92.9Very high8 Ų851.4 Ų51.46%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-151.6166.2-179.8173.20000109.6T241 F242 Y254 E286T241-S294 WeakPolarHBondContact CA-O 3.46Å; F242-S294 PolarHBondContact N-O 2.88Å; F242-S294 PolarHBondContact O-N 2.88Å; Y254-S294 WeakPolarHBondContact CE1-OG 3.47Å; Y254-S294 PolarHBondContact OH-OG 3.49Å; E286-S294 PolarHBondContact OE1-OG 3.1Å; E286-S294 PolarHBondContact OE2-OG 3.44Å
295H95.1Very high92.8Very high121 Ų12149.6 Ų49.656%0.5629%0.293SS*.EExtended strand (participates in β ladder)trans-150.7154.1179.467.5-72.3000110.7G240 T241 Y254G240-H295 VanDerWaalsContact O-CA 3.29Å; G240-H295 WeakPolarHBondContact O-CA 3.32Å; T241-H295 HydrophobicContact CG2-CB 3.97Å; Y254-H295 PolarHBondContact OH-O 2.86Å
296F96.3Very high92.8Very high1 Ų146.5 Ų46.50%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-125.1157.3170.869.1-93.4000110.9F225 I238 V239 G240 F242 Y254 V256 H284 L298 L319 F321F225-F296 AromaticContact CE2-CE1 3.64Å; F225-F296 HydrophobicContact CE2-CE1 3.64Å; F225-F296 HydrophobicContact CE2-CZ 4.11Å; F225-F296 HydrophobicContact CZ-CE1 4.21Å; F225-F296 HydrophobicContact CZ-CZ 4.22Å; I238-F296 HydrophobicContact CG2-CE2 4.11Å; V239-F296 WeakPolarHBondContact CA-O 3.31Å; G240-F296 PolarHBondContact N-O 3.2Å; G240-F296 PolarHBondContact O-N 3.41Å; F242-F296 HydrophobicContact CD2-CD1 4.45Å; F242-F296 AromaticContact CE2-CD1 3.82Å; F242-F296 HydrophobicContact CE2-CD1 3.82Å; F242-F296 AromaticContact CE2-CE1 3.85Å; F242-F296 HydrophobicContact CE2-CE1 3.85Å; F242-F296 HydrophobicContact CZ-CE1 4.42Å; Y254-F296 HydrophobicContact CE2-CD1 4.31Å; V256-F296 HydrophobicContact CB-CD1 4.47Å; V256-F296 HydrophobicContact CB-CE1 4.43Å; V256-F296 HydrophobicContact CB-CZ 4.47Å; V256-F296 HydrophobicContact CG1-CD2 4.49Å; V256-F296 HydrophobicContact CG1-CE1 4.18Å; V256-F296 HydrophobicContact CG1-CE2 4.02Å; V256-F296 HydrophobicContact CG1-CZ 3.85Å; V256-F296 HydrophobicContact CG2-CD1 3.78Å; V256-F296 HydrophobicContact CG2-CE1 3.83Å; V256-F296 HydrophobicContact CG2-CG 4.19Å; V256-F296 HydrophobicContact CG2-CZ 4.35Å; H284-F296 HydrophobicContact CB-CB 4.23Å; H284-F296 WeakPolarHBondContact CD2-CB 3.47Å; F296-L298 HydrophobicContact CD2-CB 4.38Å; F296-L298 HydrophobicContact CD2-CD1 4.02Å; F296-L298 HydrophobicContact CD2-CG 3.93Å; F296-L298 HydrophobicContact CE2-CD1 4.03Å; F296-L298 HydrophobicContact CE2-CG 4.32Å; F296-L319 HydrophobicContact CZ-CD1 4.5Å; F296-F321 AromaticContact CE1-CE1 3.86Å; F296-F321 HydrophobicContact CE1-CE1 3.86Å; F296-F321 HydrophobicContact CE1-CZ 4.45Å; F296-F321 HydrophobicContact CZ-CE1 4.11Å; F296-F321 HydrophobicContact CZ-CZ 4.3Å
297S96.4Very high92.7Very high51 Ų5145.2 Ų45.236%0.35728%0.275SS..EExtended strand (participates in β ladder)trans-128.6123.1165.3-171.40000109D237 I238D237-S297 PolarHBondContact OD2-OG 3.2Å; I238-S297 WeakPolarHBondContact O-CA 3.36Å
298L96.3Very high92.9Very high6 Ų641.4 Ų41.43%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-119.8114.7177.8-80173.6000110.1I238 V256 H284 F296 L319I238-L298 HydrophobicContact CB-CB 4.37Å; I238-L298 PolarHBondContact N-O 2.94Å; I238-L298 PolarHBondContact O-N 3.37Å; V256-L298 HydrophobicContact CB-CD1 3.95Å; V256-L298 HydrophobicContact CG1-CD1 3.7Å; H284-L298 HydrophobicContact CB-CD2 3.82Å; H284-L298 HydrophobicContact CB-CG 4.16Å; F296-L298 HydrophobicContact CD2-CB 4.38Å; F296-L298 HydrophobicContact CD2-CD1 4.02Å; F296-L298 HydrophobicContact CD2-CG 3.93Å; F296-L298 HydrophobicContact CE2-CD1 4.03Å; F296-L298 HydrophobicContact CE2-CG 4.32Å; L298-L319 HydrophobicContact CD1-CD2 4.32Å
299P96Very high93.1Very high78 Ų7843.9 Ų43.951%0.50627%0.265SS..EExtended strand (participates in β ladder)trans-71.6133.3178.328.6-33.7000110.9D237 P301D237-P299 VanDerWaalsContact OD1-CA 3.28Å; D237-P299 WeakPolarHBondContact OD1-CA 3.32Å; D237-P299 WeakPolarHBondContact OD1-CB 3.33Å; P299-P301 WeakPolarHBondContact O-CD 3.39Å
300V96.6Very high93.4Very high2 Ų242.1 Ų42.11%0.01226%0.257CS..PPolyproline II helixtrans-79.1116.3168.1-176.90000108.1L234 G235 E236 I238 L258 V364L234-V300 HydrophobicContact CD2-CG1 4.03Å; G235-V300 VanDerWaalsContact CA-O 3.22Å; G235-V300 WeakPolarHBondContact CA-O 3.5Å; G235-V300 PolarHBondContact N-O 2.83Å; E236-V300 WeakPolarHBondContact O-CB 3.36Å; E236-V300 WeakPolarHBondContact O-CG2 3.35Å; E236-V300 PolarHBondContact O-N 2.77Å; I238-V300 HydrophobicContact CD1-CG2 3.79Å; I238-V300 HydrophobicContact CG1-CG2 3.77Å; L258-V300 HydrophobicContact CD2-CB 4.43Å; L258-V300 HydrophobicContact CD2-CG1 4.4Å; L258-V300 HydrophobicContact CD2-CG2 4.09Å; V300-V364 HydrophobicContact CG1-CG1 3.81Å; V300-V364 HydrophobicContact CG1-CG2 4.34Å
301P94.9Very high93.8Very high29 Ų2943.2 Ų43.219%0.18827%0.266CS..PPolyproline II helixtrans-62150.7-175.9-23.134000113L234 H281 P299 N303 V304L234-P301 WeakPolarHBondContact CD2-O 3.37Å; H281-P301 HydrophobicContact CB-CG 4.11Å; P299-P301 WeakPolarHBondContact O-CD 3.39Å; P301-N303 WeakPolarHBondContact CB-OD1 3.48Å; P301-V304 HydrophobicContact CB-CG1 3.87Å; P301-V304 HydrophobicContact CB-CG2 4.23Å; P301-V304 HydrophobicContact CG-CG1 4.13Å; P301-V304 VanDerWaalsContact O-CG2 3.32Å; P301-V304 WeakPolarHBondContact O-CG2 3.28Å
302L93.2Very high94.1Very high46 Ų4642.1 Ų42.124%0.24126%0.259CS..SBendtrans-80.5-21.4178.1-75.5169000113.2R156 L234 T367 V375R156-L302 PolarHBondContact NH1-O 2.84Å; L234-L302 HydrophobicContact CB-CD2 4.14Å; L302-T367 HydrophobicContact CD2-CG2 3.82Å; L302-V375 HydrophobicContact CB-CB 4.49Å; L302-V375 HydrophobicContact CB-CG1 4.38Å; L302-V375 HydrophobicContact CB-CG2 3.44Å; L302-V375 VanDerWaalsContact CB-CG2 3.44Å; L302-V375 HydrophobicContact CD1-CG1 4.22Å; L302-V375 HydrophobicContact CD1-CG2 4.48Å
303N91.3Very high94.4Very high100 Ų10039.2 Ų39.254%0.53524%0.235SC..SBendtrans-86.8-10.5-175.866-34.4000114.2R156 P301 V375R156-N303 PolarHBondContact NH2-O 3.05Å; P301-N303 WeakPolarHBondContact CB-OD1 3.48Å; N303-V375 HydrophobicContact CB-CG2 4.47Å
304V93.7Very high94.5Very high13 Ų1335.6 Ų35.68%0.07921%0.209CC..SBendtrans-87.9151.6-176.6-59.50000112R156 L234 H281 P301 W317R156-V304 PolarHBondContact NH2-O 2.8Å; L234-V304 WeakPolarHBondContact CD1-O 3.28Å; L234-V304 HydrophobicContact CD2-CG2 3.6Å; L234-V304 WeakPolarHBondContact CD2-O 3.38Å; H281-V304 VanDerWaalsContact ND1-CG1 3.29Å; H281-V304 WeakPolarHBondContact ND1-CG1 3.39Å; P301-V304 HydrophobicContact CB-CG1 3.87Å; P301-V304 HydrophobicContact CB-CG2 4.23Å; P301-V304 HydrophobicContact CG-CG1 4.13Å; P301-V304 VanDerWaalsContact O-CG2 3.32Å; P301-V304 WeakPolarHBondContact O-CG2 3.28Å; V304-W317 HydrophobicContact CB-CH2 3.72Å; V304-W317 HydrophobicContact CB-CZ2 3.89Å; V304-W317 HydrophobicContact CG1-CH2 4.16Å; V304-W317 HydrophobicContact CG2-CH2 3.43Å; V304-W317 VanDerWaalsContact CG2-CH2 3.43Å; V304-W317 HydrophobicContact CG2-CZ2 3.66Å; V304-W317 HydrophobicContact CG2-CZ3 4.5Å
305T95.1Very high94.6Very high13 Ų1335.5 Ų35.58%0.0821%0.208CC..PPolyproline II helixtrans-82.3130-179.9-51.80000110.6P124 S125 F126 F308 L315 W317P124-T305 HydrophobicContact CB-CG2 3.84Å; P124-T305 HydrophobicContact CG-CG2 3.85Å; S125-T305 WeakPolarHBondContact O-CG2 3.29Å; S125-T305 PolarHBondContact O-OG1 3.3Å; F126-T305 HydrophobicContact CB-CG2 4.24Å; F126-T305 HydrophobicContact CD2-CG2 4.31Å; T305-F308 HydrophobicContact CG2-CD1 3.94Å; T305-F308 HydrophobicContact CG2-CE1 4.07Å; T305-L315 WeakPolarHBondContact O-CD2 3.35Å; T305-W317 VanDerWaalsContact O-CZ2 3.29Å; T305-W317 WeakPolarHBondContact O-CZ2 3.43Å; T305-W317 PolarHBondContact O-NE1 2.66Å
306P95.1Very high94.6Very high5 Ų535.8 Ų35.83%0.03220%0.204CC..PPolyproline II helixtrans-55.5166.2172.3-25.536.2000112.6L234 F308 V364 P366L234-P306 HydrophobicContact CD1-CG 3.89Å; L234-P306 HydrophobicContact CD2-CG 4.34Å; L234-P306 HydrophobicContact CG-CG 4.14Å; P306-F308 PolarHBondContact O-N 3.17Å; P306-V364 WeakPolarHBondContact CB-O 3.41Å; P306-P366 HydrophobicContact CG-CB 3.97Å
307G93.9Very high94.7Very high27 Ų2736.1 Ų36.128%0.27821%0.205SC..PPolyproline II helixtrans-61.4133.9176.700000111.2L315 V364G307-L315 VanDerWaalsContact CA-O 3.26Å; G307-L315 WeakPolarHBondContact CA-O 3.4Å; G307-V364 PolarHBondContact N-O 2.91Å
308F95.1Very high94.7Very high8 Ų835.7 Ų35.74%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-148.5161.8179.474.9-88.2000112P124 F126 Y133 Q161 T305 P306 T310 V313 T314 L315P124-F308 HydrophobicContact CG-CB 3.73Å; P124-F308 HydrophobicContact CG-CD1 3.52Å; P124-F308 HydrophobicContact CG-CD2 3.85Å; P124-F308 HydrophobicContact CG-CE1 4.06Å; P124-F308 HydrophobicContact CG-CE2 4.36Å; P124-F308 HydrophobicContact CG-CG 3.41Å; P124-F308 VanDerWaalsContact CG-CG 3.41Å; P124-F308 HydrophobicContact CG-CZ 4.45Å; F126-F308 HydrophobicContact CB-CE1 3.83Å; F126-F308 HydrophobicContact CB-CZ 3.89Å; F126-F308 AromaticContact CD1-CE1 3.89Å; F126-F308 HydrophobicContact CD1-CE1 3.89Å; F126-F308 AromaticContact CD1-CZ 3.55Å; F126-F308 HydrophobicContact CD1-CZ 3.55Å; F126-F308 AromaticContact CD2-CE1 3.82Å; F126-F308 HydrophobicContact CD2-CE1 3.82Å; F126-F308 HydrophobicContact CD2-CZ 4.34Å; F126-F308 HydrophobicContact CE1-CE1 4.37Å; F126-F308 HydrophobicContact CE1-CZ 4.1Å; F126-F308 HydrophobicContact CE2-CE1 4.33Å; F126-F308 AromaticContact CG-CE1 3.56Å; F126-F308 HydrophobicContact CG-CE1 3.56Å; F126-F308 AromaticContact CG-CZ 3.66Å; F126-F308 HydrophobicContact CG-CZ 3.66Å; Y133-F308 HydrophobicContact CE2-CE2 4.28Å; Y133-F308 HydrophobicContact CE2-CZ 4.45Å; Q161-F308 VanDerWaalsContact OE1-CB 3.3Å; T305-F308 HydrophobicContact CG2-CD1 3.94Å; T305-F308 HydrophobicContact CG2-CE1 4.07Å; P306-F308 PolarHBondContact O-N 3.17Å; F308-T310 HydrophobicContact CD2-CG2 3.86Å; F308-T310 HydrophobicContact CE2-CG2 3.74Å; F308-V313 HydrophobicContact CE2-CG2 4.1Å; F308-V313 HydrophobicContact CZ-CG2 4.22Å; F308-T314 WeakPolarHBondContact O-CA 3.34Å; F308-L315 HydrophobicContact CD1-CB 3.75Å; F308-L315 HydrophobicContact CD1-CD2 3.95Å; F308-L315 HydrophobicContact CE1-CB 3.65Å; F308-L315 HydrophobicContact CE1-CD2 3.76Å; F308-L315 HydrophobicContact CE1-CG 4.34Å; F308-L315 HydrophobicContact CG-CB 4.49Å; F308-L315 HydrophobicContact CZ-CB 4.33Å; F308-L315 PolarHBondContact N-O 3.08Å; F308-L315 VanDerWaalsContact N-O 3.17Å; F308-L315 PolarHBondContact O-N 3.42Å
309S94.1Very high94.8Very high55 Ų5535.4 Ų35.439%0.38519%0.194SC..EExtended strand (participates in β ladder)trans-130.2138.9172.5-158.30000111.4Q161 T314Q161-S309 PolarHBondContact NE2-O 2.94Å; Q161-S309 VanDerWaalsContact NE2-O 3.07Å; S309-T314 PolarHBondContact OG-OG1 2.92Å
310T93.1Very high94.9Very high26 Ų2632.8 Ų32.816%0.1618%0.175CC..  trans-129.2175.5171.260.20000108.7P123 Y133 F308 I312 V313P123-T310 HydrophobicContact CB-CG2 3.82Å; Y133-T310 HydrophobicContact CE2-CG2 4.44Å; F308-T310 HydrophobicContact CD2-CG2 3.86Å; F308-T310 HydrophobicContact CE2-CG2 3.74Å; T310-I312 PolarHBondContact O-N 2.99Å; T310-I312 PolarHBondContact OG1-N 2.92Å; T310-V313 PolarHBondContact N-O 2.92Å; T310-V313 PolarHBondContact OG1-N 3.43Å; T310-V313 PolarHBondContact OG1-O 3.28Å
311D90.1Very high95Very high126 Ų12632.7 Ų32.767%0.67418%0.175SC*.SBendtrans-61.9-23.4175.4-59.9-29.1000113.1Q265 Y268Q265-D311 WeakPolarHBondContact CB-O 3.42Å; Q265-D311 VanDerWaalsContact CG-O 3.26Å; Q265-D311 WeakPolarHBondContact CG-O 3.15Å; Y268-D311 VanDerWaalsContact CD2-O 3.27Å; Y268-D311 WeakPolarHBondContact CD2-O 3.48Å; Y268-D311 HydrophobicContact CE2-CB 4.38Å; Y268-D311 WeakPolarHBondContact CE2-O 3.36Å
312I92.8Very high95.1Very high22 Ų2234.7 Ų34.711%0.11318%0.181CC..SBendtrans-103.1-45.2-170.9-53.7173000111.6F53 V60 L62 V131 Q265 Y268 T310F53-I312 HydrophobicContact CE1-CD1 3.68Å; F53-I312 HydrophobicContact CE2-CD1 4Å; F53-I312 HydrophobicContact CZ-CD1 3.28Å; V60-I312 HydrophobicContact CG1-CG2 3.85Å; L62-I312 HydrophobicContact CD2-CD1 3.89Å; V131-I312 HydrophobicContact CG1-CG2 4.13Å; Q265-I312 PolarHBondContact N-O 3.31Å; Y268-I312 HydrophobicContact CD2-CB 4.19Å; Y268-I312 HydrophobicContact CD2-CG1 4.03Å; Y268-I312 HydrophobicContact CD2-CG2 4.24Å; Y268-I312 HydrophobicContact CE2-CG1 3.92Å; Y268-I312 HydrophobicContact CG-CG2 4.29Å; T310-I312 PolarHBondContact O-N 2.99Å; T310-I312 PolarHBondContact OG1-N 2.92Å
313V94.9Very high95.2Very high1 Ų132.5 Ų32.51%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-135.4153.4-178.6-57.80000112.3A130 V131 E263 I264 F308 T310A130-V313 HydrophobicContact CB-CG1 4.34Å; V131-V313 HydrophobicContact CB-CG1 4.42Å; V131-V313 HydrophobicContact CG1-CG1 3.72Å; V131-V313 HydrophobicContact CG2-CB 4.24Å; V131-V313 HydrophobicContact CG2-CG1 3.81Å; V131-V313 HydrophobicContact CG2-CG2 3.41Å; V131-V313 VanDerWaalsContact CG2-CG2 3.41Å; E263-V313 CarbonylContact O-C 3.47Å; E263-V313 VanDerWaalsContact O-CA 3.25Å; E263-V313 WeakPolarHBondContact O-CA 3.28Å; I264-V313 HydrophobicContact CG1-CG1 4.19Å; F308-V313 HydrophobicContact CE2-CG2 4.1Å; F308-V313 HydrophobicContact CZ-CG2 4.22Å; T310-V313 PolarHBondContact N-O 2.92Å; T310-V313 PolarHBondContact OG1-N 3.43Å; T310-V313 PolarHBondContact OG1-O 3.28Å
314T95.8Very high95.3Very high10 Ų1029.3 Ų29.36%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-123.1128168.4-56.80000108.8E263 Q265 F308 S309 R316E263-T314 PolarHBondContact N-O 3.49Å; E263-T314 PolarHBondContact O-N 3.09Å; Q265-T314 PolarHBondContact NE2-OG1 3Å; F308-T314 WeakPolarHBondContact O-CA 3.34Å; S309-T314 PolarHBondContact OG-OG1 2.92Å; T314-R316 HydrophobicContact CG2-CG 4.05Å
315L96.8Very high95.3Very high5 Ų528.7 Ų28.73%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-101.7118.5173.6-172.572.3000109.6F126 E261 E262 T305 G307 F308F126-L315 HydrophobicContact CD2-CD2 4.04Å; F126-L315 HydrophobicContact CE2-CD1 3.92Å; F126-L315 HydrophobicContact CE2-CD2 3.64Å; F126-L315 HydrophobicContact CE2-CG 4.35Å; F126-L315 HydrophobicContact CZ-CD1 3.86Å; F126-L315 HydrophobicContact CZ-CD2 4.29Å; E261-L315 CarbonylContact O-C 3.55Å; E261-L315 WeakPolarHBondContact O-CA 3.47Å; E262-L315 HydrophobicContact CB-CD1 4.13Å; T305-L315 WeakPolarHBondContact O-CD2 3.35Å; G307-L315 VanDerWaalsContact CA-O 3.26Å; G307-L315 WeakPolarHBondContact CA-O 3.4Å; F308-L315 HydrophobicContact CD1-CB 3.75Å; F308-L315 HydrophobicContact CD1-CD2 3.95Å; F308-L315 HydrophobicContact CE1-CB 3.65Å; F308-L315 HydrophobicContact CE1-CD2 3.76Å; F308-L315 HydrophobicContact CE1-CG 4.34Å; F308-L315 HydrophobicContact CG-CB 4.49Å; F308-L315 HydrophobicContact CZ-CB 4.33Å; F308-L315 PolarHBondContact N-O 3.08Å; F308-L315 VanDerWaalsContact N-O 3.17Å; F308-L315 PolarHBondContact O-N 3.42Å
316R96.3Very high95Very high128 Ų12828.2 Ų28.248%0.48315%0.148SC..EExtended strand (participates in β ladder)trans-115.2162.7174.7-60.4-168.9-178.8111.12.6111.1S260 E261 E263 T314S260-R316 CarbonylContact C-O 3.6Å; S260-R316 WeakPolarHBondContact CA-O 3.34Å; E261-R316 HydrophobicContact CB-CB 4.44Å; E261-R316 PolarHBondContact N-O 2.97Å; E261-R316 PolarHBondContact O-N 2.88Å; E263-R316 IonicContact OE2-CZ 3.63Å; E263-R316 IonicContact OE2-NH1 3.46Å; E263-R316 PolarHBondContact OE2-NH1 2.66Å; E263-R316 IonicContact OE2-NH2 3.09Å; T314-R316 HydrophobicContact CG2-CG 4.05Å
317W97.3Very high94.5Very high7 Ų734 Ų343%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-123.1143178.6-72.982000110.4L258 Q259 H281 V304 T305 V362 V364L258-W317 HydrophobicContact CD1-CE3 3.73Å; L258-W317 HydrophobicContact CD1-CZ3 4.19Å; L258-W317 HydrophobicContact CD2-CE3 4.11Å; L258-W317 HydrophobicContact CD2-CZ3 3.75Å; L258-W317 HydrophobicContact CG-CE3 3.78Å; L258-W317 HydrophobicContact CG-CZ3 3.7Å; Q259-W317 WeakPolarHBondContact O-CA 3.19Å; H281-W317 HydrophobicContact CB-CZ3 4.23Å; H281-W317 AromaticContact CD2-CH2 3.39Å; H281-W317 WeakPolarHBondContact CD2-CH2 3.48Å; H281-W317 AromaticContact CD2-CZ3 3.29Å; H281-W317 WeakPolarHBondContact CD2-CZ3 3.48Å; H281-W317 AromaticContact CG-CH2 3.78Å; H281-W317 AromaticContact CG-CZ3 3.81Å; H281-W317 AromaticContact NE2-CH2 3.55Å; H281-W317 AromaticContact NE2-CZ3 3.9Å; V304-W317 HydrophobicContact CB-CH2 3.72Å; V304-W317 HydrophobicContact CB-CZ2 3.89Å; V304-W317 HydrophobicContact CG1-CH2 4.16Å; V304-W317 HydrophobicContact CG2-CH2 3.43Å; V304-W317 VanDerWaalsContact CG2-CH2 3.43Å; V304-W317 HydrophobicContact CG2-CZ2 3.66Å; V304-W317 HydrophobicContact CG2-CZ3 4.5Å; T305-W317 VanDerWaalsContact O-CZ2 3.29Å; T305-W317 WeakPolarHBondContact O-CZ2 3.43Å; T305-W317 PolarHBondContact O-NE1 2.66Å; W317-V362 CarbonylContact C-O 3.52Å; W317-V362 HydrophobicContact CB-CG2 3.98Å; W317-V362 WeakPolarHBondContact CB-O 3.47Å; W317-V362 PolarHBondContact O-N 3.41Å; W317-V364 HydrophobicContact CB-CG2 3.9Å; W317-V364 HydrophobicContact CD2-CB 4.16Å; W317-V364 HydrophobicContact CD2-CG2 3.63Å; W317-V364 HydrophobicContact CE3-CG2 4Å; W317-V364 HydrophobicContact CG-CB 4Å; W317-V364 HydrophobicContact CG-CG2 3.59Å
318R97.4Very high93.9Very high43 Ų4339.5 Ų39.516%0.16219%0.187CC..EExtended strand (participates in β ladder)trans-145.7154.3176.469.8173.1-171-176.113.9111.8Q259 E261 N359 L360Q259-R318 HydrophobicContact CB-CG 4.03Å; Q259-R318 PolarHBondContact N-O 2.92Å; Q259-R318 PolarHBondContact O-N 3.09Å; Q259-R318 VanDerWaalsContact OE1-CZ 3.32Å; E261-R318 HydrophobicContact CG-CG 4.36Å; E261-R318 WeakPolarHBondContact OE1-CD 3.1Å; E261-R318 IonicContact OE1-CZ 3.01Å; E261-R318 IonicContact OE1-NE 2.65Å; E261-R318 PolarHBondContact OE1-NE 3Å; E261-R318 IonicContact OE1-NH1 2.74Å; E261-R318 PolarHBondContact OE1-NH1 2.81Å; R318-N359 VanDerWaalsContact CZ-OD1 3.27Å; R318-N359 PolarHBondContact NE-OD1 2.94Å; R318-N359 PolarHBondContact NH1-ND2 3.08Å; R318-N359 PolarHBondContact NH1-OD1 2.89Å; R318-L360 CarbonylContact C-O 3.56Å; R318-L360 WeakPolarHBondContact CA-O 3.35Å
319L98Very high92.8Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-91.1123.9159.6-63.5172.1000108.2I227 I238 V256 S257 L258 F296 L298 F321 N359 L360 V362I227-L319 HydrophobicContact CD1-CD1 3.91Å; I238-L319 HydrophobicContact CD1-CD2 3.94Å; I238-L319 HydrophobicContact CG2-CD1 3.78Å; I238-L319 HydrophobicContact CG2-CD2 4.16Å; V256-L319 HydrophobicContact CG1-CB 4.42Å; V256-L319 HydrophobicContact CG1-CD2 4.32Å; S257-L319 WeakPolarHBondContact O-CA 3.49Å; L258-L319 HydrophobicContact CB-CD2 4.44Å; L258-L319 HydrophobicContact CD1-CD2 4.03Å; F296-L319 HydrophobicContact CZ-CD1 4.5Å; L298-L319 HydrophobicContact CD1-CD2 4.32Å; L319-F321 HydrophobicContact CB-CD2 4.28Å; L319-F321 HydrophobicContact CB-CE2 3.48Å; L319-F321 VanDerWaalsContact CB-CE2 3.48Å; L319-F321 HydrophobicContact CB-CZ 3.86Å; L319-F321 HydrophobicContact CD1-CE2 4.39Å; L319-F321 HydrophobicContact CD1-CZ 4.07Å; L319-N359 WeakPolarHBondContact O-CA 3.39Å; L319-L360 HydrophobicContact CB-CB 4.4Å; L319-L360 HydrophobicContact CD1-CD2 4.42Å; L319-L360 PolarHBondContact N-O 2.85Å; L319-L360 PolarHBondContact O-N 2.82Å; L319-V362 HydrophobicContact CD1-CG1 4.07Å; L319-V362 HydrophobicContact CG-CG1 4.06Å
320H97.9Very high91.6Very high22 Ų2245 Ų4510%0.10222%0.218CC..EExtended strand (participates in β ladder)trans-106.1118.4175.1179.371.8000109.2V256 S257 Q259 E322 N359V256-H320 CarbonylContact C-O 3.58Å; V256-H320 WeakPolarHBondContact CA-O 3.46Å; S257-H320 PolarHBondContact N-O 2.75Å; S257-H320 PolarHBondContact O-N 2.87Å; S257-H320 PolarHBondContact OG-O 2.93Å; Q259-H320 HydrophobicContact CG-CB 4.12Å; Q259-H320 PolarHBondContact NE2-CD2 3.31Å; H320-E322 IonicContact NE2-OE1 2.88Å; H320-N359 PolarHBondContact ND1-OD1 3.12Å
321F97.4Very high90.3Very high0 Ų051.5 Ų51.50%025%0.247CC..EExtended strand (participates in β ladder)trans-104136.7-179.8-59.6-97.1000109.4F225 F242 S255 V256 F296 L319 F323 S357 W358 L360F225-F321 HydrophobicContact CD2-CE1 4.48Å; F225-F321 HydrophobicContact CE1-CZ 4.02Å; F225-F321 HydrophobicContact CE2-CE1 4.09Å; F225-F321 HydrophobicContact CE2-CZ 4.16Å; F225-F321 HydrophobicContact CZ-CE1 4.15Å; F225-F321 AromaticContact CZ-CZ 3.74Å; F225-F321 HydrophobicContact CZ-CZ 3.74Å; F242-F321 HydrophobicContact CE2-CE1 4.34Å; F242-F321 AromaticContact CZ-CD1 3.74Å; F242-F321 HydrophobicContact CZ-CD1 3.74Å; F242-F321 AromaticContact CZ-CE1 3.66Å; F242-F321 HydrophobicContact CZ-CE1 3.66Å; S255-F321 CarbonylContact O-C 3.53Å; S255-F321 VanDerWaalsContact O-CA 3.28Å; S255-F321 WeakPolarHBondContact O-CA 3.3Å; V256-F321 HydrophobicContact CB-CD1 4.16Å; V256-F321 HydrophobicContact CB-CE1 4.16Å; V256-F321 HydrophobicContact CG1-CD1 3.79Å; V256-F321 HydrophobicContact CG1-CE1 3.48Å; V256-F321 VanDerWaalsContact CG1-CE1 3.48Å; V256-F321 HydrophobicContact CG1-CE2 4.49Å; V256-F321 HydrophobicContact CG1-CG 4.41Å; V256-F321 HydrophobicContact CG1-CZ 3.88Å; V256-F321 HydrophobicContact CG2-CD1 3.5Å; V256-F321 VanDerWaalsContact CG2-CD1 3.5Å; V256-F321 HydrophobicContact CG2-CE1 3.59Å; F296-F321 AromaticContact CE1-CE1 3.86Å; F296-F321 HydrophobicContact CE1-CE1 3.86Å; F296-F321 HydrophobicContact CE1-CZ 4.45Å; F296-F321 HydrophobicContact CZ-CE1 4.11Å; F296-F321 HydrophobicContact CZ-CZ 4.3Å; L319-F321 HydrophobicContact CB-CD2 4.28Å; L319-F321 HydrophobicContact CB-CE2 3.48Å; L319-F321 VanDerWaalsContact CB-CE2 3.48Å; L319-F321 HydrophobicContact CB-CZ 3.86Å; L319-F321 HydrophobicContact CD1-CE2 4.39Å; L319-F321 HydrophobicContact CD1-CZ 4.07Å; F321-F323 HydrophobicContact CB-CD2 4.34Å; F321-F323 HydrophobicContact CB-CE2 3.54Å; F321-F323 HydrophobicContact CB-CZ 3.94Å; F321-F323 HydrophobicContact CD1-CZ 4.21Å; F321-F323 HydrophobicContact CG-CE2 4.36Å; F321-F323 HydrophobicContact CG-CZ 4.38Å; F321-S357 CarbonylContact O-C 3.49Å; F321-S357 WeakPolarHBondContact O-CA 3.14Å; F321-S357 WeakPolarHBondContact O-CB 3.5Å; F321-W358 HydrophobicContact CB-CB 4.31Å; F321-W358 HydrophobicContact CB-CE3 4.22Å; F321-W358 HydrophobicContact CD1-CE3 4.36Å; F321-W358 HydrophobicContact CD2-CD2 4.15Å; F321-W358 AromaticContact CD2-CE3 3.27Å; F321-W358 HydrophobicContact CD2-CE3 3.27Å; F321-W358 AromaticContact CD2-CZ3 3.64Å; F321-W358 HydrophobicContact CD2-CZ3 3.64Å; F321-W358 HydrophobicContact CE1-CZ3 4.36Å; F321-W358 AromaticContact CE2-CE3 3.59Å; F321-W358 HydrophobicContact CE2-CE3 3.59Å; F321-W358 HydrophobicContact CE2-CH2 4.32Å; F321-W358 AromaticContact CE2-CZ3 3.41Å; F321-W358 HydrophobicContact CE2-CZ3 3.41Å; F321-W358 VanDerWaalsContact CE2-CZ3 3.41Å; F321-W358 AromaticContact CG-CE3 3.71Å; F321-W358 HydrophobicContact CG-CE3 3.71Å; F321-W358 HydrophobicContact CG-CZ3 4.21Å; F321-W358 HydrophobicContact CZ-CE3 4.28Å; F321-W358 AromaticContact CZ-CZ3 3.82Å; F321-W358 HydrophobicContact CZ-CZ3 3.82Å; F321-W358 PolarHBondContact N-O 2.76Å; F321-W358 PolarHBondContact O-N 2.85Å; F321-L360 HydrophobicContact CE2-CB 3.95Å
322E96.9Very high89.1Confident71 Ų7149.9 Ų49.933%0.33224%0.243SC..EExtended strand (participates in β ladder)trans-124.8129169.1-60.9178.314000108Y254 S255 R283 H320Y254-E322 CarbonylContact C-O 3.58Å; Y254-E322 WeakPolarHBondContact CA-O 3.39Å; S255-E322 PolarHBondContact N-O 2.82Å; S255-E322 PolarHBondContact O-N 3.27Å; S255-E322 PolarHBondContact OG-OE2 3.35Å; R283-E322 IonicContact CZ-OE2 2.75Å; R283-E322 IonicContact NH2-OE2 2.58Å; R283-E322 PolarHBondContact NH2-OE2 3.11Å; H320-E322 IonicContact NE2-OE1 2.88Å
323F95.6Very high87.7Confident0 Ų051.8 Ų51.80%026%0.257CS..EExtended strand (participates in β ladder)trans-116.5137.6179.5-62.2-86.4000109.7I215 F242 F321 T355 F356 W358I215-F323 HydrophobicContact CG1-CZ 4.35Å; I215-F323 HydrophobicContact CG2-CD2 4.23Å; I215-F323 HydrophobicContact CG2-CE2 3.85Å; I215-F323 HydrophobicContact CG2-CZ 4.04Å; F242-F323 HydrophobicContact CD1-CE1 4.45Å; F242-F323 AromaticContact CE1-CE1 3.78Å; F242-F323 HydrophobicContact CE1-CE1 3.78Å; F242-F323 AromaticContact CE1-CZ 3.73Å; F242-F323 HydrophobicContact CE1-CZ 3.73Å; F242-F323 HydrophobicContact CZ-CE1 4.07Å; F242-F323 AromaticContact CZ-CZ 3.98Å; F242-F323 HydrophobicContact CZ-CZ 3.98Å; F321-F323 HydrophobicContact CB-CD2 4.34Å; F321-F323 HydrophobicContact CB-CE2 3.54Å; F321-F323 HydrophobicContact CB-CZ 3.94Å; F321-F323 HydrophobicContact CD1-CZ 4.21Å; F321-F323 HydrophobicContact CG-CE2 4.36Å; F321-F323 HydrophobicContact CG-CZ 4.38Å; F323-T355 VanDerWaalsContact O-CA 3.27Å; F323-T355 WeakPolarHBondContact O-CA 3.5Å; F323-T355 VanDerWaalsContact O-CG2 3.26Å; F323-T355 WeakPolarHBondContact O-CG2 3.43Å; F323-F356 HydrophobicContact CB-CD1 4.09Å; F323-F356 HydrophobicContact CB-CE1 3.54Å; F323-F356 HydrophobicContact CB-CE2 4.26Å; F323-F356 HydrophobicContact CB-CZ 3.63Å; F323-F356 HydrophobicContact CD2-CD2 4.24Å; F323-F356 HydrophobicContact CD2-CE1 4.39Å; F323-F356 AromaticContact CD2-CE2 3.57Å; F323-F356 HydrophobicContact CD2-CE2 3.57Å; F323-F356 AromaticContact CD2-CZ 3.65Å; F323-F356 HydrophobicContact CD2-CZ 3.65Å; F323-F356 HydrophobicContact CE2-CE2 4.27Å; F323-F356 HydrophobicContact CG-CE1 4.22Å; F323-F356 HydrophobicContact CG-CE2 4.18Å; F323-F356 AromaticContact CG-CZ 3.77Å; F323-F356 HydrophobicContact CG-CZ 3.77Å; F323-F356 PolarHBondContact N-O 2.56Å; F323-F356 PolarHBondContact O-N 2.72Å; F323-W358 HydrophobicContact CE2-CB 4.38Å
324V94.9Very high86Confident33 Ų3356.4 Ų56.420%0.229%0.285CS..EExtended strand (participates in β ladder)trans-110.1114.6170.4-173.40000107.1L252 Q253 V353 T355L252-V324 HydrophobicContact CB-CG1 4.42Å; L252-V324 HydrophobicContact CD1-CG1 4.32Å; L252-V324 PolarHBondContact N-O 2.84Å; Q253-V324 HydrophobicContact CB-CB 4.2Å; Q253-V324 HydrophobicContact CB-CG2 4.31Å; Q253-V324 PolarHBondContact N-O 2.85Å; Q253-V324 PolarHBondContact O-N 2.89Å; V324-V353 HydrophobicContact CG1-CB 3.78Å; V324-V353 HydrophobicContact CG1-CG1 3.87Å; V324-V353 HydrophobicContact CG1-CG2 4.22Å; V324-T355 HydrophobicContact CG2-CG2 4.1Å
325T92.9Very high84.3Confident0 Ų061.6 Ų61.60%032%0.317CS..EExtended strand (participates in β ladder)trans-115.4146.2-178.855.30000110.7N217 V222 I249 P250 V353 D354 F356N217-T325 PolarHBondContact ND2-OG1 3.44Å; V222-T325 HydrophobicContact CG1-CG2 3.77Å; V222-T325 HydrophobicContact CG2-CG2 3.95Å; I249-T325 HydrophobicContact CG2-CG2 4.09Å; P250-T325 WeakPolarHBondContact O-CA 3.21Å; T325-V353 CarbonylContact O-C 3.59Å; T325-V353 VanDerWaalsContact O-CA 3.28Å; T325-V353 WeakPolarHBondContact O-CA 3.37Å; T325-D354 PolarHBondContact N-O 2.84Å; T325-D354 PolarHBondContact O-N 2.84Å; T325-D354 PolarHBondContact OG1-O 3.4Å; T325-F356 HydrophobicContact CG2-CE1 3.88Å
326A89.3Confident82.6Confident3 Ų366.6 Ų66.63%0.02534%0.343CS..EExtended strand (participates in β ladder)trans-73.7150.3173.300000110.9R219 P250 L252 E328 V351R219-A326 PolarHBondContact NH2-O 3.37Å; P250-A326 HydrophobicContact CG-CB 3.88Å; P250-A326 PolarHBondContact O-N 2.99Å; L252-A326 HydrophobicContact CD1-CB 4.25Å; L252-A326 HydrophobicContact CD2-CB 4.19Å; L252-A326 HydrophobicContact CG-CB 4.29Å; A326-E328 WeakPolarHBondContact CB-O 3.37Å; A326-V351 HydrophobicContact CB-CG1 4.3Å
327R85Confident80.8Confident128 Ų12869.6 Ų69.648%0.48336%0.362SS..SBendtrans-78.9-38.5172-71.7-165.9179.7157.33.2112.6D352 D354R327-D352 HydrophobicContact CB-CB 4.03Å; R327-D352 HydrophobicContact CG-CB 4.21Å; R327-D352 PolarHBondContact N-O 2.81Å; R327-D354 VanDerWaalsContact CG-OD2 3.3Å; R327-D354 WeakPolarHBondContact CG-OD2 3.45Å; R327-D354 IonicContact CZ-OD1 2.9Å; R327-D354 VanDerWaalsContact CZ-OD1 3.23Å; R327-D354 VanDerWaalsContact NE-CG 3.33Å; R327-D354 IonicContact NE-OD1 3.49Å; R327-D354 PolarHBondContact NE-OD1 2.86Å; R327-D354 IonicContact NE-OD2 3.23Å; R327-D354 PolarHBondContact NE-OD2 3.34Å; R327-D354 IonicContact NH2-OD1 3.95Å; R327-D354 PolarHBondContact NH2-OD1 3.18Å
328E80.3Confident78.8Confident141 Ų14176.7 Ų76.766%0.65940%0.401SS*.SBendtrans-104.1149.2-178.9-61.6-173.1163.600110.6A326 M330A326-E328 WeakPolarHBondContact CB-O 3.37Å; E328-M330 PolarHBondContact O-N 2.71Å
329P71.5Confident76.7Confident122 Ų12280.1 Ų80.179%0.79242%0.419SS*.PPolyproline II helixtrans-59.5121.9171.2-14.427.5000108.9
330M69.6Low74.7Confident56 Ų5686.6 Ų86.628%0.27646%0.464SS..PPolyproline II helixtrans-87.7121.4174.3-159.4173.6-70.300108L252 L289 E328 V351L252-M330 HydrophobicContact CD2-CE 3.87Å; L289-M330 HydrophobicContact CD1-CE 4.47Å; L289-M330 HydrophobicContact CD1-SD 3.62Å; L289-M330 HydrophobicContact CD2-CE 4.49Å; L289-M330 HydrophobicContact CD2-SD 3.52Å; L289-M330 VanDerWaalsContact CD2-SD 3.52Å; L289-M330 HydrophobicContact CG-SD 4.2Å; E328-M330 PolarHBondContact O-N 2.71Å; M330-V351 HydrophobicContact CE-CB 4.48Å; M330-V351 HydrophobicContact CE-CG1 3.68Å; M330-V351 HydrophobicContact CE-CG2 3.87Å
331E66Low72.9Confident164 Ų16492.9 Ų92.977%0.76649%0.493SS*.PPolyproline II helixtrans-63.6135.4177.4-70.1-168.3165.500110
332P65.1Low71.2Confident91 Ų9199.3 Ų99.359%0.59153%0.533SS*.PPolyproline II helixtrans-62.9147.5175.227.2-33.2000109.5T334P332-T334 PolarHBondContact O-N 3.09Å
333P62.2Low69.5Low62 Ų6299.5 Ų99.540%0.40354%0.539SS..  trans-57.3114178.421.2-31.1000110V335 W345P333-V335 PolarHBondContact O-N 3.18Å; P333-W345 VanDerWaalsContact CA-CH2 3.4Å; P333-W345 HydrophobicContact CB-CD2 3.94Å; P333-W345 HydrophobicContact CB-CE3 3.73Å; P333-W345 HydrophobicContact CB-CH2 3.52Å; P333-W345 HydrophobicContact CB-CZ2 3.68Å; P333-W345 HydrophobicContact CB-CZ3 3.52Å
334T60Low68Low98 Ų98105.7 Ų105.760%0.60158%0.576SS**  trans-74.81041774.80000109.3P332 L336 W345P332-T334 PolarHBondContact O-N 3.09Å; T334-L336 PolarHBondContact O-N 3.3Å; T334-W345 VanDerWaalsContact N-CH2 3.28Å; T334-W345 VanDerWaalsContact O-CZ2 3.26Å; T334-W345 WeakPolarHBondContact O-CZ2 3.37Å
335V60.2Low66.5Low119 Ų119111.1 Ų111.172%0.72159%0.593SS**  trans-70.9103.3172-176.60000108.5P333 Q337P333-V335 PolarHBondContact O-N 3.18Å; V335-Q337 PolarHBondContact O-N 2.86Å; V335-Q337 VanDerWaalsContact O-N 3.11Å
336L60.6Low65.2Low111 Ų111115.4 Ų115.458%0.58163%0.629SS**  trans-66.1108.9173.5-71.6167.8000108.8T334 N338T334-L336 PolarHBondContact O-N 3.3Å; L336-N338 PolarHBondContact O-N 2.78Å
337Q59Low64.1Low190 Ų190118.7 Ų118.789%0.88866%0.662SS**THydrogen-bonded Turntrans-64.4-1.3-173.2-76.9177.80.800115.5V335V335-Q337 PolarHBondContact O-N 2.86Å; V335-Q337 VanDerWaalsContact O-N 3.11Å
338N55.9Low63.5Low157 Ų157115.9 Ų115.984%0.8467%0.667SS**THydrogen-bonded Turntrans-132.425.3-165.8-92.6-6.7000115.9L336L336-N338 PolarHBondContact O-N 2.78Å
339Q53.4Low63.1Low115 Ų115118.9 Ų118.954%0.53768%0.681SS.*  trans-114.8123.4174.3-68.8-173.5-5.900112.2E341Q339-E341 PolarHBondContact O-N 2.92Å
340S55.5Low63.5Low136 Ų136120.7 Ų120.795%0.95168%0.678SS**SBendtrans-70.2-1172.3-21.50000113.4
341E60.6Low64.2Low153 Ų153120.3 Ų120.372%0.71568%0.679SS**SBendtrans-105.9140.1-175.6-69.7-173.516000110.8Q339 T343Q339-E341 PolarHBondContact O-N 2.92Å; E341-T343 PolarHBondContact O-N 2.81Å
342V60Low65.2Low136 Ų136116.4 Ų116.482%0.82466%0.663SS**  trans-64.1103.5175.9177.80000108.9V344V342-V344 PolarHBondContact O-N 2.84Å
343T62.2Low66.5Low75 Ų75114.7 Ų114.746%0.4665%0.651SS.*  trans-72.1111.1173.2-430000109.6E341 W345E341-T343 PolarHBondContact O-N 2.81Å; T343-W345 PolarHBondContact O-N 2.92Å
344V64.4Low67.9Low129 Ų129113.5 Ų113.578%0.78264%0.641SS**  trans-84.9111172-178.10000108.3V342V342-V344 PolarHBondContact O-N 2.84Å
345W62.1Low69.5Low147 Ų147113.7 Ų113.756%0.55764%0.642SS**PPolyproline II helixtrans-77.9121.9173.9-71.782.4000109.8P333 T334 T343P333-W345 VanDerWaalsContact CA-CH2 3.4Å; P333-W345 HydrophobicContact CB-CD2 3.94Å; P333-W345 HydrophobicContact CB-CE3 3.73Å; P333-W345 HydrophobicContact CB-CH2 3.52Å; P333-W345 HydrophobicContact CB-CZ2 3.68Å; P333-W345 HydrophobicContact CB-CZ3 3.52Å; T334-W345 VanDerWaalsContact N-CH2 3.28Å; T334-W345 VanDerWaalsContact O-CZ2 3.26Å; T334-W345 WeakPolarHBondContact O-CZ2 3.37Å; T343-W345 PolarHBondContact O-N 2.92Å
346A66.2Low71.2Confident91 Ų91110 Ų11075%0.75262%0.617SS**PPolyproline II helixtrans-101.3138.2168.300000109.1
347G67.5Low72.9Confident71 Ų71108.1 Ų108.173%0.73261%0.613SS**PPolyproline II helixtrans-65.5155.7172.300000111.3E349G347-E349 PolarHBondContact O-N 2.86Å
348A71.4Confident74.6Confident69 Ų69101.9 Ų101.957%0.5758%0.581SS**PPolyproline II helixtrans-59.3135.5174.500000110.9H350 V351A348-H350 VanDerWaalsContact C-N 3.28Å; A348-H350 PolarHBondContact O-N 3.01Å; A348-V351 HydrophobicContact CB-CG2 3.74Å
349E72Confident76.6Confident205 Ų20597.3 Ų97.396%0.95856%0.557SS**SBendtrans-66.7-31.1179.4-68.4-171.8163.500112.6G347G347-E349 PolarHBondContact O-N 2.86Å
350H79.9Confident78.6Confident159 Ų15992.4 Ų92.474%0.73653%0.534SS*.  trans-136.7131.9177.4-156.565000110A348A348-H350 VanDerWaalsContact C-N 3.28Å; A348-H350 PolarHBondContact O-N 3.01Å
351V84.4Confident80.6Confident49 Ų4990.6 Ų90.630%0.29752%0.519SS..  trans-133.3126.9176.4-1780000107.7L252 A326 M330 A348 V353L252-V351 HydrophobicContact CD1-CG1 3.8Å; A326-V351 HydrophobicContact CB-CG1 4.3Å; M330-V351 HydrophobicContact CE-CB 4.48Å; M330-V351 HydrophobicContact CE-CG1 3.68Å; M330-V351 HydrophobicContact CE-CG2 3.87Å; A348-V351 HydrophobicContact CB-CG2 3.74Å; V351-V353 HydrophobicContact CB-CG1 4.48Å; V351-V353 HydrophobicContact CG1-CG1 4.17Å; V351-V353 PolarHBondContact O-N 2.79Å
352D87.3Confident82.2Confident81 Ų8183.9 Ų83.943%0.43349%0.488SS..  trans-73.8123173-88.8-35.2000110.5R327R327-D352 HydrophobicContact CB-CB 4.03Å; R327-D352 HydrophobicContact CG-CB 4.21Å; R327-D352 PolarHBondContact N-O 2.81Å
353V91.8Very high83.9Confident56 Ų5681.2 Ų81.234%0.33947%0.466SS..EExtended strand (participates in β ladder)trans-123.6151.1-172.7-57.80000112.8L252 V324 T325 V351L252-V353 HydrophobicContact CD1-CG1 3.44Å; L252-V353 VanDerWaalsContact CD1-CG1 3.44Å; V324-V353 HydrophobicContact CG1-CB 3.78Å; V324-V353 HydrophobicContact CG1-CG1 3.87Å; V324-V353 HydrophobicContact CG1-CG2 4.22Å; T325-V353 CarbonylContact O-C 3.59Å; T325-V353 VanDerWaalsContact O-CA 3.28Å; T325-V353 WeakPolarHBondContact O-CA 3.37Å; V351-V353 HydrophobicContact CB-CG1 4.48Å; V351-V353 HydrophobicContact CG1-CG1 4.17Å; V351-V353 PolarHBondContact O-N 2.79Å
354D92Very high85.4Confident36 Ų3677.7 Ų77.719%0.19344%0.444CS..EExtended strand (participates in β ladder)trans-119.1144.3161.3-68.4-48.1000111.1R219 T325 R327R219-D354 IonicContact CZ-OD2 3.18Å; R219-D354 IonicContact NH1-OD2 2.6Å; R219-D354 PolarHBondContact NH1-OD2 2.78Å; R219-D354 IonicContact NH2-OD2 2.91Å; R219-D354 PolarHBondContact NH2-OD2 2.85Å; T325-D354 PolarHBondContact N-O 2.84Å; T325-D354 PolarHBondContact O-N 2.84Å; T325-D354 PolarHBondContact OG1-O 3.4Å; R327-D354 VanDerWaalsContact CG-OD2 3.3Å; R327-D354 WeakPolarHBondContact CG-OD2 3.45Å; R327-D354 IonicContact CZ-OD1 2.9Å; R327-D354 VanDerWaalsContact CZ-OD1 3.23Å; R327-D354 VanDerWaalsContact NE-CG 3.33Å; R327-D354 IonicContact NE-OD1 3.49Å; R327-D354 PolarHBondContact NE-OD1 2.86Å; R327-D354 IonicContact NE-OD2 3.23Å; R327-D354 PolarHBondContact NE-OD2 3.34Å; R327-D354 IonicContact NH2-OD1 3.95Å; R327-D354 PolarHBondContact NH2-OD1 3.18Å
355T93.8Very high86.8Confident102 Ų10271.8 Ų71.863%0.62641%0.408SS*.EExtended strand (participates in β ladder)trans-116.6135.4178.3-20.10000110.2F323 V324F323-T355 VanDerWaalsContact O-CA 3.27Å; F323-T355 WeakPolarHBondContact O-CA 3.5Å; F323-T355 VanDerWaalsContact O-CG2 3.26Å; F323-T355 WeakPolarHBondContact O-CG2 3.43Å; V324-T355 HydrophobicContact CG2-CG2 4.1Å
356F95.4Very high88.3Confident43 Ų4364.9 Ų64.919%0.18938%0.382CS..EExtended strand (participates in β ladder)trans-143.5159.1171.370.3-83.5000110.4I215 N217 V222 F323 T325I215-F356 HydrophobicContact CG2-CE2 3.73Å; I215-F356 HydrophobicContact CG2-CZ 3.75Å; N217-F356 HydrophobicContact CB-CD1 4.32Å; N217-F356 HydrophobicContact CB-CE1 4Å; N217-F356 HydrophobicContact CB-CZ 4.45Å; V222-F356 HydrophobicContact CB-CZ 4.46Å; V222-F356 HydrophobicContact CG2-CE1 4.03Å; V222-F356 HydrophobicContact CG2-CZ 3.93Å; F323-F356 HydrophobicContact CB-CD1 4.09Å; F323-F356 HydrophobicContact CB-CE1 3.54Å; F323-F356 HydrophobicContact CB-CE2 4.26Å; F323-F356 HydrophobicContact CB-CZ 3.63Å; F323-F356 HydrophobicContact CD2-CD2 4.24Å; F323-F356 HydrophobicContact CD2-CE1 4.39Å; F323-F356 AromaticContact CD2-CE2 3.57Å; F323-F356 HydrophobicContact CD2-CE2 3.57Å; F323-F356 AromaticContact CD2-CZ 3.65Å; F323-F356 HydrophobicContact CD2-CZ 3.65Å; F323-F356 HydrophobicContact CE2-CE2 4.27Å; F323-F356 HydrophobicContact CG-CE1 4.22Å; F323-F356 HydrophobicContact CG-CE2 4.18Å; F323-F356 AromaticContact CG-CZ 3.77Å; F323-F356 HydrophobicContact CG-CZ 3.77Å; F323-F356 PolarHBondContact N-O 2.56Å; F323-F356 PolarHBondContact O-N 2.72Å; T325-F356 HydrophobicContact CG2-CE1 3.88Å
357S95.6Very high89.6Confident70 Ų7061.1 Ų61.149%0.4935%0.35SS..EExtended strand (participates in β ladder)trans-119.6147.4-178.268.60000112.4F321F321-S357 CarbonylContact O-C 3.49Å; F321-S357 WeakPolarHBondContact O-CA 3.14Å; F321-S357 WeakPolarHBondContact O-CB 3.5Å
358W95.6Very high90.8Very high60 Ų6060.1 Ų60.123%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-132.8145.3173.5176.160.5000110.1F213 I215 F225 F321 F323 L360F213-W358 HydrophobicContact CB-CH2 4.06Å; F213-W358 HydrophobicContact CB-CZ2 4.16Å; F213-W358 HydrophobicContact CD1-CH2 4.38Å; F213-W358 AromaticContact CD1-CZ2 3.97Å; F213-W358 HydrophobicContact CD1-CZ2 3.97Å; F213-W358 AromaticContact CD2-CH2 3.95Å; F213-W358 HydrophobicContact CD2-CH2 3.95Å; F213-W358 HydrophobicContact CD2-CZ2 4.36Å; F213-W358 HydrophobicContact CE1-CZ2 4.47Å; F213-W358 HydrophobicContact CE2-CH2 4.48Å; F213-W358 AromaticContact CG-CH2 3.87Å; F213-W358 HydrophobicContact CG-CH2 3.87Å; F213-W358 AromaticContact CG-CZ2 3.9Å; F213-W358 HydrophobicContact CG-CZ2 3.9Å; I215-W358 HydrophobicContact CD1-CD2 3.8Å; I215-W358 HydrophobicContact CD1-CE3 3.54Å; I215-W358 HydrophobicContact CD1-CG 4.47Å; I215-W358 HydrophobicContact CD1-CH2 4.17Å; I215-W358 HydrophobicContact CD1-CZ2 4.38Å; I215-W358 HydrophobicContact CD1-CZ3 3.75Å; F225-W358 HydrophobicContact CB-CZ3 4.47Å; F225-W358 AromaticContact CD1-CH2 3.49Å; F225-W358 HydrophobicContact CD1-CH2 3.49Å; F225-W358 VanDerWaalsContact CD1-CH2 3.49Å; F225-W358 AromaticContact CD1-CZ3 3.48Å; F225-W358 HydrophobicContact CD1-CZ3 3.48Å; F225-W358 VanDerWaalsContact CD1-CZ3 3.48Å; F225-W358 AromaticContact CE1-CH2 3.93Å; F225-W358 HydrophobicContact CE1-CH2 3.93Å; F225-W358 AromaticContact CE1-CZ3 3.92Å; F225-W358 HydrophobicContact CE1-CZ3 3.92Å; F225-W358 HydrophobicContact CG-CH2 4.4Å; F225-W358 HydrophobicContact CG-CZ3 4.05Å; F321-W358 HydrophobicContact CB-CB 4.31Å; F321-W358 HydrophobicContact CB-CE3 4.22Å; F321-W358 HydrophobicContact CD1-CE3 4.36Å; F321-W358 HydrophobicContact CD2-CD2 4.15Å; F321-W358 AromaticContact CD2-CE3 3.27Å; F321-W358 HydrophobicContact CD2-CE3 3.27Å; F321-W358 AromaticContact CD2-CZ3 3.64Å; F321-W358 HydrophobicContact CD2-CZ3 3.64Å; F321-W358 HydrophobicContact CE1-CZ3 4.36Å; F321-W358 AromaticContact CE2-CE3 3.59Å; F321-W358 HydrophobicContact CE2-CE3 3.59Å; F321-W358 HydrophobicContact CE2-CH2 4.32Å; F321-W358 AromaticContact CE2-CZ3 3.41Å; F321-W358 HydrophobicContact CE2-CZ3 3.41Å; F321-W358 VanDerWaalsContact CE2-CZ3 3.41Å; F321-W358 AromaticContact CG-CE3 3.71Å; F321-W358 HydrophobicContact CG-CE3 3.71Å; F321-W358 HydrophobicContact CG-CZ3 4.21Å; F321-W358 HydrophobicContact CZ-CE3 4.28Å; F321-W358 AromaticContact CZ-CZ3 3.82Å; F321-W358 HydrophobicContact CZ-CZ3 3.82Å; F321-W358 PolarHBondContact N-O 2.76Å; F321-W358 PolarHBondContact O-N 2.85Å; F323-W358 HydrophobicContact CE2-CB 4.38Å; W358-L360 HydrophobicContact CH2-CB 3.93Å; W358-L360 HydrophobicContact CH2-CD1 4.21Å; W358-L360 HydrophobicContact CH2-CD2 4.1Å; W358-L360 HydrophobicContact CH2-CG 4.32Å; W358-L360 HydrophobicContact CZ2-CB 4.11Å; W358-L360 HydrophobicContact CZ2-CD1 4.11Å; W358-L360 HydrophobicContact CZ3-CB 4.36Å
359N96.6Very high91.7Very high60 Ų6056.8 Ų56.832%0.32130%0.301SS..EExtended strand (participates in β ladder)trans-122.7131.2-179.2-66.7-58.6000110R318 L319 H320R318-N359 VanDerWaalsContact CZ-OD1 3.27Å; R318-N359 PolarHBondContact NE-OD1 2.94Å; R318-N359 PolarHBondContact NH1-ND2 3.08Å; R318-N359 PolarHBondContact NH1-OD1 2.89Å; L319-N359 WeakPolarHBondContact O-CA 3.39Å; H320-N359 PolarHBondContact ND1-OD1 3.12Å
360L96.7Very high92.5Very high12 Ų1248.9 Ų48.96%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-117.6114.4172.4-178.567.2000109.5F213 F225 I227 R318 L319 F321 W358F213-L360 HydrophobicContact CE1-CD1 4.21Å; F213-L360 HydrophobicContact CE2-CD1 4.02Å; F213-L360 HydrophobicContact CE2-CD2 4.26Å; F213-L360 HydrophobicContact CZ-CD1 3.66Å; F225-L360 HydrophobicContact CE1-CD2 3.82Å; I227-L360 HydrophobicContact CD1-CD2 4.22Å; I227-L360 HydrophobicContact CG2-CD2 4.11Å; R318-L360 CarbonylContact C-O 3.56Å; R318-L360 WeakPolarHBondContact CA-O 3.35Å; L319-L360 HydrophobicContact CB-CB 4.4Å; L319-L360 HydrophobicContact CD1-CD2 4.42Å; L319-L360 PolarHBondContact N-O 2.85Å; L319-L360 PolarHBondContact O-N 2.82Å; F321-L360 HydrophobicContact CE2-CB 3.95Å; W358-L360 HydrophobicContact CH2-CB 3.93Å; W358-L360 HydrophobicContact CH2-CD1 4.21Å; W358-L360 HydrophobicContact CH2-CD2 4.1Å; W358-L360 HydrophobicContact CH2-CG 4.32Å; W358-L360 HydrophobicContact CZ2-CB 4.11Å; W358-L360 HydrophobicContact CZ2-CD1 4.11Å; W358-L360 HydrophobicContact CZ3-CB 4.36Å
361P96.6Very high92.9Very high98 Ų9845.5 Ų45.564%0.63626%0.257SS*.EExtended strand (participates in β ladder)trans-65.1139.217526.8-34.5000110.9
362V95.5Very high93.1Very high12 Ų1243.2 Ų43.27%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-132.5151.9174.5-63.20000109.8T230 Y232 L258 W317 L319T230-V362 CarbonylContact O-C 3.6Å; T230-V362 WeakPolarHBondContact O-CA 3.44Å; Y232-V362 HydrophobicContact CE2-CG1 4.45Å; L258-V362 HydrophobicContact CD1-CG2 4.24Å; W317-V362 CarbonylContact C-O 3.52Å; W317-V362 HydrophobicContact CB-CG2 3.98Å; W317-V362 WeakPolarHBondContact CB-O 3.47Å; W317-V362 PolarHBondContact O-N 3.41Å; L319-V362 HydrophobicContact CD1-CG1 4.07Å; L319-V362 HydrophobicContact CG-CG1 4.06Å
363K94Very high93.2Very high81 Ų8140.3 Ų40.335%0.35223%0.229SC..EExtended strand (participates in β ladder)trans-101.8121.9174.1-166.5177.7-174.1-1730108.9G162 T230 V231 Y232 L365G162-K363 PolarHBondContact O-NZ 2.89Å; T230-K363 PolarHBondContact O-N 2.82Å; V231-K363 CarbonylContact C-O 3.57Å; V231-K363 WeakPolarHBondContact CA-O 3.42Å; V231-K363 HydrophobicContact CG1-CB 4.26Å; V231-K363 HydrophobicContact CG2-CB 4.16Å; Y232-K363 PolarHBondContact N-O 2.84Å; K363-L365 HydrophobicContact CD-CD2 3.97Å; K363-L365 HydrophobicContact CG-CD2 4.06Å
364V95.1Very high92.9Very high1 Ų146.9 Ų46.91%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-100.2127.1170.7179.80000108.4Y232 L234 V300 P306 G307 W317Y232-V364 CarbonylContact O-C 3.49Å; Y232-V364 VanDerWaalsContact O-CA 3.32Å; Y232-V364 WeakPolarHBondContact O-CA 3.2Å; L234-V364 HydrophobicContact CD2-CG1 3.58Å; L234-V364 HydrophobicContact CG-CG1 4.33Å; V300-V364 HydrophobicContact CG1-CG1 3.81Å; V300-V364 HydrophobicContact CG1-CG2 4.34Å; P306-V364 WeakPolarHBondContact CB-O 3.41Å; G307-V364 PolarHBondContact N-O 2.91Å; W317-V364 HydrophobicContact CB-CG2 3.9Å; W317-V364 HydrophobicContact CD2-CB 4.16Å; W317-V364 HydrophobicContact CD2-CG2 3.63Å; W317-V364 HydrophobicContact CE3-CG2 4Å; W317-V364 HydrophobicContact CG-CB 4Å; W317-V364 HydrophobicContact CG-CG2 3.59Å
365L93.9Very high92.4Very high5 Ų548.3 Ų48.33%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-107.9156.1179.4-63.8-174.9000110.7M163 L201 T204 T205 V231 Y232 R233 L234 K363M163-L365 HydrophobicContact SD-CD1 4.36Å; L201-L365 HydrophobicContact CD2-CB 3.75Å; L201-L365 HydrophobicContact CD2-CD1 3.86Å; L201-L365 HydrophobicContact CD2-CG 4.38Å; T204-L365 HydrophobicContact CG2-CD1 3.99Å; T205-L365 HydrophobicContact CG2-CD1 3.91Å; V231-L365 HydrophobicContact CG1-CD1 3.48Å; V231-L365 VanDerWaalsContact CG1-CD1 3.48Å; V231-L365 HydrophobicContact CG1-CG 3.76Å; Y232-L365 PolarHBondContact O-N 2.95Å; R233-L365 WeakPolarHBondContact CA-O 3.45Å; R233-L365 HydrophobicContact CG-CB 4.33Å; L234-L365 PolarHBondContact N-O 3.24Å; K363-L365 HydrophobicContact CD-CD2 3.97Å; K363-L365 HydrophobicContact CG-CD2 4.06Å
366P94Very high91.8Very high2 Ų244.8 Ų44.81%0.01324%0.239CC..  trans-62.3170.2173.327.8-35.4000112.3L15 L158 L160 L201 P306L15-P366 HydrophobicContact CD2-CB 4.16Å; L15-P366 HydrophobicContact CD2-CG 4.24Å; L158-P366 HydrophobicContact CB-CB 4.02Å; L158-P366 HydrophobicContact CD1-CB 4.15Å; L160-P366 HydrophobicContact CB-CG 4.41Å; L160-P366 HydrophobicContact CD1-CG 4.02Å; L201-P366 HydrophobicContact CD1-CG 4.34Å; L201-P366 HydrophobicContact CD2-CG 4.34Å; P306-P366 HydrophobicContact CG-CB 3.97Å
367T92.6Very high90.9Very high11 Ų1151.1 Ų51.17%0.06727%0.269CS..  trans-126.9-177.5176.6-166.50000109.7L234 L302 P369 A372L234-T367 HydrophobicContact CB-CG2 3.84Å; L234-T367 HydrophobicContact CD1-CG2 4.44Å; L234-T367 WeakPolarHBondContact O-CB 3.5Å; L302-T367 HydrophobicContact CD2-CG2 3.82Å; T367-P369 WeakPolarHBondContact O-CD 3.31Å; T367-A372 HydrophobicContact CG2-CB 4.32Å
368N91.8Very high90.2Very high50 Ų5051.4 Ų51.427%0.26726%0.261SS..  trans-57.5123.7174-172.4-35.5000110.4L198 A370 L371 A372L198-N368 HydrophobicContact CD1-CB 4.46Å; L198-N368 HydrophobicContact CD2-CB 3.95Å; N368-A370 PolarHBondContact O-N 3.46Å; N368-A370 VanDerWaalsContact O-N 3.17Å; N368-A370 VanDerWaalsContact OD1-CB 3.31Å; N368-A370 WeakPolarHBondContact OD1-CB 3.35Å; N368-A370 PolarHBondContact OD1-N 3.35Å; N368-L371 HydrophobicContact CB-CD1 4.14Å; N368-L371 HydrophobicContact CB-CG 4.15Å; N368-L371 WeakPolarHBondContact O-CB 3.42Å; N368-L371 PolarHBondContact O-N 2.84Å; N368-A372 PolarHBondContact O-N 3.16Å
369P91.1Very high89.3Confident0 Ų053.7 Ų53.70%028%0.282CS..Hα-helixtrans-53.9-34.5178.8-29.237.5000113.8V13 L15 E18 L194 T367 L371 A372 S373V13-P369 HydrophobicContact CB-CB 4.46Å; V13-P369 HydrophobicContact CG1-CB 4.31Å; V13-P369 VanDerWaalsContact O-CB 3.26Å; V13-P369 WeakPolarHBondContact O-CB 3.25Å; L15-P369 HydrophobicContact CB-CG 4.21Å; L15-P369 HydrophobicContact CD1-CG 3.78Å; L15-P369 HydrophobicContact CG-CG 3.65Å; E18-P369 WeakPolarHBondContact OE2-CG 3.18Å; L194-P369 HydrophobicContact CD1-CG 4.33Å; T367-P369 WeakPolarHBondContact O-CD 3.31Å; P369-L371 VanDerWaalsContact C-N 3.29Å; P369-L371 PolarHBondContact O-N 2.95Å; P369-A372 PolarHBondContact O-N 2.94Å; P369-S373 WeakPolarHBondContact O-CB 3.19Å; P369-S373 PolarHBondContact O-N 2.94Å; P369-S373 PolarHBondContact O-OG 3.22Å; P369-S373 VanDerWaalsContact O-OG 3.1Å
370A89.3Confident88.4Confident39 Ų3950.9 Ų50.932%0.32227%0.268SS..Hα-helixtrans-60.4-39.1175.700000112.1N368 S373 Y374N368-A370 PolarHBondContact O-N 3.46Å; N368-A370 VanDerWaalsContact O-N 3.17Å; N368-A370 VanDerWaalsContact OD1-CB 3.31Å; N368-A370 WeakPolarHBondContact OD1-CB 3.35Å; N368-A370 PolarHBondContact OD1-N 3.35Å; A370-S373 PolarHBondContact O-N 3.02Å; A370-Y374 WeakPolarHBondContact O-CD2 3.43Å; A370-Y374 WeakPolarHBondContact O-CE2 3.41Å
371L88.9Confident88.1Confident88 Ų8853.2 Ų53.246%0.46128%0.283SS..Hα-helixtrans-68.6-42.3176.1-65177.5000111.6N368 P369 S373 Y374N368-L371 HydrophobicContact CB-CD1 4.14Å; N368-L371 HydrophobicContact CB-CG 4.15Å; N368-L371 WeakPolarHBondContact O-CB 3.42Å; N368-L371 PolarHBondContact O-N 2.84Å; P369-L371 VanDerWaalsContact C-N 3.29Å; P369-L371 PolarHBondContact O-N 2.95Å; L371-S373 VanDerWaalsContact C-N 3.27Å; L371-S373 PolarHBondContact O-N 2.9Å; L371-Y374 PolarHBondContact O-N 2.95Å
372A88.6Confident87.9Confident0 Ų050.8 Ų50.80%026%0.264CS..Hα-helixtrans-67.9-26.917800000112.7V13 L158 T367 N368 P369 Y374 V375 S376V13-A372 HydrophobicContact CB-CB 4.37Å; V13-A372 HydrophobicContact CG1-CB 3.86Å; V13-A372 HydrophobicContact CG2-CB 4.38Å; L158-A372 HydrophobicContact CD1-CB 4.29Å; T367-A372 HydrophobicContact CG2-CB 4.32Å; N368-A372 PolarHBondContact O-N 3.16Å; P369-A372 PolarHBondContact O-N 2.94Å; A372-Y374 VanDerWaalsContact C-N 3.34Å; A372-Y374 PolarHBondContact O-N 2.85Å; A372-V375 WeakPolarHBondContact O-CG2 3.31Å; A372-V375 PolarHBondContact O-N 3.39Å; A372-S376 PolarHBondContact O-N 2.89Å
373S87.9Confident87.8Confident20 Ų2053.6 Ų53.614%0.1428%0.284CS..Hα-helixtrans-63.8-34.4175.9-74.50000113.2V13 P369 A370 L371 V375 S376V13-S373 WeakPolarHBondContact CB-OG 3.48Å; V13-S373 WeakPolarHBondContact CG2-OG 3.49Å; V13-S373 PolarHBondContact N-OG 2.81Å; P369-S373 WeakPolarHBondContact O-CB 3.19Å; P369-S373 PolarHBondContact O-N 2.94Å; P369-S373 PolarHBondContact O-OG 3.22Å; P369-S373 VanDerWaalsContact O-OG 3.1Å; A370-S373 PolarHBondContact O-N 3.02Å; L371-S373 VanDerWaalsContact C-N 3.27Å; L371-S373 PolarHBondContact O-N 2.9Å; S373-V375 PolarHBondContact O-N 3.49Å; S373-S376 VanDerWaalsContact O-CB 3.31Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 3.11Å; S373-S376 VanDerWaalsContact O-N 3.09Å
374Y84.8Confident87.8Confident194 Ų19452 Ų5276%0.76128%0.279SS*.THydrogen-bonded Turntrans-62.4-26.2179.8-71.7-71.2000114.2A370 L371 A372A370-Y374 WeakPolarHBondContact O-CD2 3.43Å; A370-Y374 WeakPolarHBondContact O-CE2 3.41Å; L371-Y374 PolarHBondContact O-N 2.95Å; A372-Y374 VanDerWaalsContact C-N 3.34Å; A372-Y374 PolarHBondContact O-N 2.85Å
375V83.3Confident87.6Confident67 Ų6755.9 Ų55.941%0.40630%0.3SS..THydrogen-bonded Turntrans-106.56.6178.8-61.50000112.6L302 N303 A372 S373L302-V375 HydrophobicContact CB-CB 4.49Å; L302-V375 HydrophobicContact CB-CG1 4.38Å; L302-V375 HydrophobicContact CB-CG2 3.44Å; L302-V375 VanDerWaalsContact CB-CG2 3.44Å; L302-V375 HydrophobicContact CD1-CG1 4.22Å; L302-V375 HydrophobicContact CD1-CG2 4.48Å; N303-V375 HydrophobicContact CB-CG2 4.47Å; A372-V375 WeakPolarHBondContact O-CG2 3.31Å; A372-V375 PolarHBondContact O-N 3.39Å; S373-V375 PolarHBondContact O-N 3.49Å
376S80.1Confident87.1Confident28 Ų2856.7 Ų56.720%0.19630%0.304CS..  trans-70.2141.9-179-171.20000110.8P12 A372 S373 F378P12-S376 WeakPolarHBondContact CG-OG 3.3Å; A372-S376 PolarHBondContact O-N 2.89Å; S373-S376 VanDerWaalsContact O-CB 3.31Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 3.11Å; S373-S376 VanDerWaalsContact O-N 3.09Å; S376-F378 PolarHBondContact O-N 3.02Å; S376-F378 PolarHBondContact OG-N 2.84Å
377Q76.3Confident86.8Confident176 Ų17659.5 Ų59.582%0.82232%0.319SS*.SBendtrans-78.2-9.9172.4-65.3179.8-10.400112.4
378F81.3Confident86.5Confident75 Ų7562 Ų6233%0.32933%0.332SS..  trans-90140.7178.3-56.2-50.3000109.8P12 P154 S376P12-F378 HydrophobicContact CB-CB 3.65Å; P12-F378 HydrophobicContact CG-CB 3.82Å; P12-F378 WeakPolarHBondContact CG-O 2.86Å; P154-F378 HydrophobicContact CB-CD1 3.84Å; P154-F378 HydrophobicContact CB-CE1 3.63Å; P154-F378 HydrophobicContact CB-CE2 4.45Å; P154-F378 HydrophobicContact CB-CG 4.35Å; P154-F378 HydrophobicContact CB-CZ 3.96Å; P154-F378 HydrophobicContact CG-CD1 3.47Å; P154-F378 VanDerWaalsContact CG-CD1 3.47Å; P154-F378 HydrophobicContact CG-CE1 3.66Å; P154-F378 HydrophobicContact CG-CG 4.15Å; P154-F378 HydrophobicContact CG-CZ 4.46Å; S376-F378 PolarHBondContact O-N 3.02Å; S376-F378 PolarHBondContact OG-N 2.84Å
379T75.9Confident86.2Confident108 Ų10862.7 Ų62.766%0.66334%0.336SS*.  trans-83.3-14.6178.649.30000112.7T381T379-T381 PolarHBondContact O-N 2.93Å; T379-T381 VanDerWaalsContact O-N 3.11Å; T379-T381 PolarHBondContact OG1-O 2.52Å
380G79.6Confident85.9Confident2 Ų266.4 Ų66.42%0.02136%0.355CS..SBendtrans70.3-5.4-171.700000114S7 M8S7-G380 WeakPolarHBondContact CA-O 3.1Å; M8-G380 PolarHBondContact N-O 3.38Å
381T89.8Confident85.7Confident61 Ų6168.1 Ų68.137%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-130.8121.1-179.2-55.10000110.6V5 A6 S7 T379V5-T381 HydrophobicContact CG1-CG2 3.93Å; A6-T381 CarbonylContact O-C 3.58Å; A6-T381 WeakPolarHBondContact O-CA 3.45Å; S7-T381 PolarHBondContact OG-OG1 3.2Å; T379-T381 PolarHBondContact O-N 2.93Å; T379-T381 VanDerWaalsContact O-N 3.11Å; T379-T381 PolarHBondContact OG1-O 2.52Å
382N92.5Very high85.5Confident46 Ų4666.7 Ų66.725%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-130.9152.2175.6-68.716.6000110A6 L151 R152 V153 P154A6-N382 PolarHBondContact N-O 3.13Å; A6-N382 PolarHBondContact O-N 3.03Å; L151-N382 HydrophobicContact CD1-CB 3.85Å; R152-N382 PolarHBondContact O-ND2 2.63Å; V153-N382 HydrophobicContact CG2-CB 4.26Å; P154-N382 WeakPolarHBondContact CD-ND2 3.48Å
383S93.3Very high85.2Confident71 Ų7171.5 Ų71.550%0.49738%0.375SS..EExtended strand (participates in β ladder)trans-132.8158.3174.765.80000113.1V4V4-S383 CarbonylContact O-C 3.57Å; V4-S383 WeakPolarHBondContact O-CA 3.43Å; V4-S383 WeakPolarHBondContact O-CB 3.18Å
384I94.3Very high85Confident47 Ų4775.5 Ų75.524%0.24139%0.394CS..EExtended strand (participates in β ladder)trans-143.9146172.7-170.9169.6000109.5V4 K149 L151 I386V4-I384 HydrophobicContact CB-CG2 4.01Å; V4-I384 PolarHBondContact N-O 2.86Å; V4-I384 PolarHBondContact O-N 2.73Å; K149-I384 HydrophobicContact CB-CD1 4.38Å; L151-I384 HydrophobicContact CB-CG2 3.72Å; L151-I384 HydrophobicContact CD1-CB 4.09Å; L151-I384 HydrophobicContact CD1-CG2 4.03Å; L151-I384 HydrophobicContact CD2-CG2 4.39Å; L151-I384 HydrophobicContact CG-CG2 4.26Å; I384-I386 HydrophobicContact CG1-CG2 4.41Å; I384-I386 HydrophobicContact CG2-CG2 3.97Å
385N90.3Very high85.1Confident83 Ų8365.6 Ų65.644%0.44436%0.363SS..EExtended strand (participates in β ladder)trans-97.9123.6170.2-69.7-50.4000110.2M1 I2 K149M1-N385 HydrophobicContact CG-CB 4.27Å; M1-N385 HydrophobicContact SD-CB 4.3Å; I2-N385 CarbonylContact O-C 3.54Å; I2-N385 WeakPolarHBondContact O-CA 3.38Å; K149-N385 PolarHBondContact NZ-O 2.7Å; K149-N385 VanDerWaalsContact NZ-O 3.09Å
386I84.1Confident85.2Confident23 Ų2365.5 Ų65.512%0.11836%0.359CS..  trans-106.30-176.967179.3000113.3M1 I2 V4 L42 C141 K149 I384M1-I386 CarbonylContact C-O 3.45Å; M1-I386 WeakPolarHBondContact CA-O 3.17Å; I2-I386 HydrophobicContact CB-CD1 4.16Å; I2-I386 HydrophobicContact CB-CG1 3.7Å; I2-I386 HydrophobicContact CG2-CD1 4.23Å; I2-I386 HydrophobicContact CG2-CG1 4.18Å; I2-I386 PolarHBondContact N-O 3.02Å; I2-I386 WeakPolarHBondContact O-CG1 3.35Å; I2-I386 PolarHBondContact O-N 3.46Å; V4-I386 HydrophobicContact CG2-CD1 3.55Å; V4-I386 HydrophobicContact CG2-CG1 4.05Å; V4-I386 HydrophobicContact CG2-CG2 4.3Å; L42-I386 HydrophobicContact CD1-CD1 4.23Å; L42-I386 HydrophobicContact CD2-CD1 3.41Å; L42-I386 VanDerWaalsContact CD2-CD1 3.41Å; L42-I386 HydrophobicContact CD2-CG1 4.34Å; L42-I386 HydrophobicContact CG-CD1 4.47Å; C141-I386 HydrophobicContact CB-CD1 4.2Å; C141-I386 VanDerWaalsContact SG-CD1 3.51Å; K149-I386 HydrophobicContact CB-CB 4.45Å; K149-I386 HydrophobicContact CB-CG2 3.66Å; K149-I386 HydrophobicContact CD-CB 3.67Å; K149-I386 HydrophobicContact CD-CG2 3.49Å; K149-I386 VanDerWaalsContact CD-CG2 3.49Å; K149-I386 HydrophobicContact CG-CG2 4.22Å; K149-I386 PolarHBondContact NZ-OXT 3.29Å; I384-I386 HydrophobicContact CG1-CG2 4.41Å; I384-I386 HydrophobicContact CG2-CG2 3.97Å

Retrieved 386 of 386 residues in 477 ms (Link to these results)

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