A0A077ZIY4_TRITR Loading...

Cons hypoth95 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M85.4Confident88.7Confident52 Ų5269.5 Ų69.526%0.25635%0.349SS..  0-730-163.9160.6125.100113.2N3 M4 L24 L87 V117 V146M1-N3 PolarHBondContact O-N 3.3Å; M1-M4 WeakPolarHBondContact O-CB 3.19Å; M1-M4 PolarHBondContact O-N 2.93Å; M1-L24 HydrophobicContact CE-CD1 3.95Å; M1-L24 HydrophobicContact CE-CD2 4.1Å; M1-L24 HydrophobicContact SD-CD2 4.38Å; M1-L87 HydrophobicContact CE-CD2 3.47Å; M1-L87 VanDerWaalsContact CE-CD2 3.47Å; M1-L87 HydrophobicContact CE-CG 4.48Å; M1-V117 HydrophobicContact CE-CB 3.95Å; M1-V117 HydrophobicContact CE-CG1 3.59Å; M1-V117 HydrophobicContact CG-CG1 3.82Å; M1-V117 HydrophobicContact SD-CG1 3.72Å; M1-V146 HydrophobicContact CG-CG1 4.41Å
2F87.6Confident89.4Confident11 Ų1165.4 Ų65.45%0.04834%0.337CS..G310 helixtrans-54.5-38.5-172.6-80.3-86000116.6M4 I5 G6 F9 L24 E27 A28 R31 L85 L87F2-M4 PolarHBondContact O-N 3.11Å; F2-I5 HydrophobicContact CD1-CD1 3.91Å; F2-I5 HydrophobicContact CD1-CG1 4.38Å; F2-I5 HydrophobicContact CE1-CD1 4.22Å; F2-I5 VanDerWaalsContact O-CG1 3.24Å; F2-I5 WeakPolarHBondContact O-CG1 3.21Å; F2-I5 PolarHBondContact O-N 3.1Å; F2-G6 CarbonylContact O-C 3.48Å; F2-G6 PolarHBondContact O-N 3Å; F2-G6 VanDerWaalsContact O-N 3.1Å; F2-G6 VanDerWaalsContact O-O 3.09Å; F2-F9 AromaticContact CD1-CE2 3.85Å; F2-F9 HydrophobicContact CD1-CE2 3.85Å; F2-F9 HydrophobicContact CD1-CZ 4.11Å; F2-F9 AromaticContact CE1-CE2 3.9Å; F2-F9 HydrophobicContact CE1-CE2 3.9Å; F2-F9 HydrophobicContact CE1-CZ 4.24Å; F2-L24 HydrophobicContact CE2-CD2 4.11Å; F2-L24 VanDerWaalsContact CZ-O 3.25Å; F2-L24 WeakPolarHBondContact CZ-O 2.98Å; F2-E27 HydrophobicContact CD2-CB 4.18Å; F2-E27 HydrophobicContact CD2-CG 3.45Å; F2-E27 VanDerWaalsContact CD2-CG 3.45Å; F2-E27 HydrophobicContact CE2-CB 3.68Å; F2-E27 HydrophobicContact CE2-CG 3.49Å; F2-E27 VanDerWaalsContact CE2-CG 3.49Å; F2-E27 HydrophobicContact CG-CG 4.02Å; F2-E27 HydrophobicContact CZ-CB 4.09Å; F2-E27 HydrophobicContact CZ-CG 4.08Å; F2-A28 HydrophobicContact CE1-CB 3.9Å; F2-A28 HydrophobicContact CZ-CB 3.9Å; F2-R31 VanDerWaalsContact CB-NE 3.28Å; F2-R31 VanDerWaalsContact CD1-CD 3.43Å; F2-L85 HydrophobicContact CE1-CD2 3.93Å; F2-L87 HydrophobicContact CZ-CD1 4.22Å
3N88.9Confident90.1Very high130 Ų13060.5 Ų60.570%0.69531%0.312SS*.G310 helixtrans-59.5-16.4176.6-66.2-20.3000114M1 R31M1-N3 PolarHBondContact O-N 3.3Å; N3-R31 PolarHBondContact OD1-NH1 2.83Å
4M87.8Confident90.7Very high32 Ų3256.3 Ų56.316%0.15829%0.291CS..G310 helixtrans-85.9-21.6176.7-59.1-169.3-66.400113.7M1 F2 R136 H139 Y141 V146 I148M1-M4 WeakPolarHBondContact O-CB 3.19Å; M1-M4 PolarHBondContact O-N 2.93Å; F2-M4 PolarHBondContact O-N 3.11Å; M4-R136 PolarHBondContact O-NH1 2.93Å; M4-H139 HydrophobicContact SD-CB 4.02Å; M4-Y141 HydrophobicContact CE-CE2 4.12Å; M4-Y141 HydrophobicContact SD-CE2 4.49Å; M4-Y141 PolarHBondContact SD-OH 3.34Å; M4-Y141 VanDerWaalsContact SD-OH 3.34Å; M4-V146 HydrophobicContact CE-CB 3.88Å; M4-V146 HydrophobicContact CE-CG1 3.53Å; M4-V146 HydrophobicContact CE-CG2 4.43Å; M4-I148 HydrophobicContact CB-CD1 3.7Å; M4-I148 HydrophobicContact CE-CD1 4.11Å; M4-I148 HydrophobicContact SD-CD1 4.48Å
5I88.9Confident91.3Very high16 Ų1652.5 Ų52.58%0.08227%0.271CS..THydrogen-bonded Turntrans-106.8-22.3-174.960.3175.9000113.1F2 F9 L85 I115 V117 I148F2-I5 HydrophobicContact CD1-CD1 3.91Å; F2-I5 HydrophobicContact CD1-CG1 4.38Å; F2-I5 HydrophobicContact CE1-CD1 4.22Å; F2-I5 VanDerWaalsContact O-CG1 3.24Å; F2-I5 WeakPolarHBondContact O-CG1 3.21Å; F2-I5 PolarHBondContact O-N 3.1Å; I5-F9 HydrophobicContact CD1-CE1 4.48Å; I5-F9 HydrophobicContact CD1-CZ 3.78Å; I5-F9 HydrophobicContact CG1-CZ 4.03Å; I5-L85 HydrophobicContact CD1-CD1 3.69Å; I5-L85 HydrophobicContact CD1-CD2 4.34Å; I5-I115 HydrophobicContact CB-CD1 4.46Å; I5-I115 HydrophobicContact CB-CG2 4.18Å; I5-I115 HydrophobicContact CG2-CG2 3.89Å; I5-V117 HydrophobicContact CD1-CG2 3.98Å; I5-V117 HydrophobicContact CG2-CG2 3.74Å; I5-I148 HydrophobicContact CG2-CD1 3.63Å; I5-I148 HydrophobicContact CG2-CG1 3.94Å; I5-I148 HydrophobicContact CG2-CG2 3.92Å
6G83.8Confident91.7Very high16 Ų1649.3 Ų49.317%0.16526%0.255CS..  trans153.5126.2-179.800000108.6F2 Y8F2-G6 CarbonylContact O-C 3.48Å; F2-G6 PolarHBondContact O-N 3Å; F2-G6 VanDerWaalsContact O-N 3.1Å; F2-G6 VanDerWaalsContact O-O 3.09Å; G6-Y8 PolarHBondContact O-N 2.97Å
7P80.9Confident92.1Very high75 Ų7546.5 Ų46.549%0.48724%0.24SC..SBendtrans-62.7-31.617926.4-33.4000111.3R31P7-R31 WeakPolarHBondContact O-CD 3.45Å; P7-R31 PolarHBondContact O-NH1 3.22Å
8Y90.7Very high92.3Very high178 Ų17846 Ų4670%0.69824%0.236SC*.SBendtrans-141.9158.9178.5-60.8-77000110.5G6 R31G6-Y8 PolarHBondContact O-N 2.97Å; Y8-R31 CarbonylContact C-O 3.56Å; Y8-R31 WeakPolarHBondContact CA-O 3.35Å
9F93.4Very high92.5Very high32 Ų3243.8 Ų43.814%0.1423%0.225CC..  trans-119.7150.3176.3-57.1-81000110.3F2 I5 G11 R31 M33 L85F2-F9 AromaticContact CD1-CE2 3.85Å; F2-F9 HydrophobicContact CD1-CE2 3.85Å; F2-F9 HydrophobicContact CD1-CZ 4.11Å; F2-F9 AromaticContact CE1-CE2 3.9Å; F2-F9 HydrophobicContact CE1-CE2 3.9Å; F2-F9 HydrophobicContact CE1-CZ 4.24Å; I5-F9 HydrophobicContact CD1-CE1 4.48Å; I5-F9 HydrophobicContact CD1-CZ 3.78Å; I5-F9 HydrophobicContact CG1-CZ 4.03Å; F9-G11 VanDerWaalsContact C-N 3.28Å; F9-G11 PolarHBondContact O-N 2.96Å; F9-R31 HydrophobicContact CD2-CB 3.84Å; F9-R31 HydrophobicContact CE2-CB 4.01Å; F9-R31 PolarHBondContact N-O 2.8Å; F9-M33 HydrophobicContact CB-CE 3.68Å; F9-M33 HydrophobicContact CB-CG 4.28Å; F9-M33 HydrophobicContact CD1-CE 3.22Å; F9-M33 HydrophobicContact CD2-CE 3.94Å; F9-M33 HydrophobicContact CD2-CG 3.95Å; F9-M33 HydrophobicContact CE1-CE 3.76Å; F9-M33 HydrophobicContact CE2-CE 4.4Å; F9-M33 HydrophobicContact CG-CE 3.33Å; F9-M33 HydrophobicContact CG-CG 4.14Å; F9-M33 HydrophobicContact CZ-CE 4.31Å; F9-L85 HydrophobicContact CE1-CD2 4.38Å; F9-L85 HydrophobicContact CE2-CD2 4.13Å; F9-L85 HydrophobicContact CZ-CD2 3.79Å
10E93.1Very high92.7Very high211 Ų21143 Ų4399%0.98623%0.228SC*.SBendtrans-94.745.5177.8-61.3-172164.400111.4
11G95.8Very high92.8Very high12 Ų1243.3 Ų43.312%0.12423%0.234CC..SBendtrans93.4-155.5-17600000113.8F9 G32 M33F9-G11 VanDerWaalsContact C-N 3.28Å; F9-G11 PolarHBondContact O-N 2.96Å; G11-G32 WeakPolarHBondContact CA-O 3.24Å; G11-G32 PolarHBondContact N-O 3.08Å; G11-G32 VanDerWaalsContact N-O 3.11Å; G11-M33 VanDerWaalsContact O-SD 3.4Å
12G97.2Very high93.4Very high20 Ų2040.9 Ų40.921%0.20622%0.222CC..  trans90.5-176.1-177.700000114.3E34 Q35 D84G12-E34 PolarHBondContact O-N 2.82Å; G12-Q35 PolarHBondContact O-N 3.43Å; G12-D84 WeakPolarHBondContact CA-OD2 3.43Å
13A98.4Very high93.8Very high2 Ų243.6 Ų43.62%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-114.1133.3-177.600000112.5Q35 L81 R82 F83 D84 L85A13-Q35 WeakPolarHBondContact CA-O 3.5Å; A13-Q35 HydrophobicContact CB-CG 3.6Å; A13-L81 HydrophobicContact CB-CD1 3.76Å; A13-R82 WeakPolarHBondContact CB-O 3.21Å; A13-F83 HydrophobicContact CB-CD1 3.87Å; A13-F83 HydrophobicContact CB-CE1 4.35Å; A13-F83 WeakPolarHBondContact O-CA 3.48Å; A13-D84 PolarHBondContact N-OD2 3.14Å; A13-D84 PolarHBondContact O-N 3.43Å; A13-L85 PolarHBondContact O-N 3.11Å
14A98.6Very high94.2Very high1 Ų138.9 Ų38.91%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-101.8145.3171.600000111.8A28 M33 Q35 A36 V37 L85A14-A28 HydrophobicContact CB-CB 3.88Å; A14-M33 HydrophobicContact CB-CB 4.46Å; A14-M33 HydrophobicContact CB-CG 4.15Å; A14-M33 HydrophobicContact CB-SD 4.21Å; A14-Q35 PolarHBondContact N-O 2.76Å; A14-A36 HydrophobicContact CB-CB 4.25Å; A14-A36 CarbonylContact O-C 3.53Å; A14-A36 VanDerWaalsContact O-CA 3.29Å; A14-A36 WeakPolarHBondContact O-CA 3.31Å; A14-V37 PolarHBondContact O-N 2.87Å; A14-L85 CarbonylContact C-O 3.59Å; A14-L85 VanDerWaalsContact CA-O 3.24Å; A14-L85 WeakPolarHBondContact CA-O 3.11Å; A14-L85 HydrophobicContact CB-CB 4.15Å; A14-L85 HydrophobicContact CB-CD2 4.25Å; A14-L85 HydrophobicContact CB-CG 4.43Å
15L98.8Very high94.7Very high0 Ų037.3 Ų37.30%021%0.209CC..EExtended strand (participates in β ladder)trans-120.6122.3169.817662.7000109.5L17 V37 V39 L76 F83 L85 V86 L87 L104L15-L17 HydrophobicContact CD1-CD2 4.18Å; L15-L17 HydrophobicContact CD1-CG 4.34Å; L15-L17 HydrophobicContact CD2-CD1 4.13Å; L15-L17 HydrophobicContact CD2-CD2 4Å; L15-L17 HydrophobicContact CD2-CG 3.87Å; L15-L17 HydrophobicContact CG-CD2 4.21Å; L15-L17 HydrophobicContact CG-CG 3.91Å; L15-V37 HydrophobicContact CD1-CB 3.84Å; L15-V37 HydrophobicContact CD1-CG1 3.8Å; L15-V39 HydrophobicContact CD1-CG2 3.98Å; L15-L76 HydrophobicContact CD1-CD1 3.84Å; L15-L76 HydrophobicContact CD2-CD1 4.35Å; L15-F83 HydrophobicContact CB-CB 4.31Å; L15-F83 HydrophobicContact CB-CD1 3.53Å; L15-F83 HydrophobicContact CB-CD2 3.95Å; L15-F83 HydrophobicContact CB-CE1 3.69Å; L15-F83 HydrophobicContact CB-CE2 4.12Å; L15-F83 HydrophobicContact CB-CG 3.65Å; L15-F83 HydrophobicContact CB-CZ 3.99Å; L15-F83 HydrophobicContact CD1-CE1 4.38Å; L15-F83 HydrophobicContact CD1-CE2 4.41Å; L15-F83 HydrophobicContact CD1-CZ 4.07Å; L15-F83 HydrophobicContact CD2-CD2 3.92Å; L15-F83 HydrophobicContact CD2-CE2 3.86Å; L15-F83 HydrophobicContact CD2-CG 4.46Å; L15-F83 HydrophobicContact CD2-CZ 4.32Å; L15-F83 HydrophobicContact CG-CD2 4.49Å; L15-F83 HydrophobicContact CG-CE1 4.5Å; L15-F83 HydrophobicContact CG-CE2 4.36Å; L15-F83 HydrophobicContact CG-CZ 4.34Å; L15-L85 PolarHBondContact N-O 3.04Å; L15-V86 HydrophobicContact CB-CG2 4.26Å; L15-V86 HydrophobicContact CD2-CG1 4.33Å; L15-V86 CarbonylContact O-C 3.45Å; L15-V86 WeakPolarHBondContact O-CA 3.4Å; L15-L87 PolarHBondContact O-N 3.23Å; L15-L104 HydrophobicContact CD2-CD2 3.71Å
16D98.4Very high95.1Very high1 Ų138 Ų381%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-111.4101.5172.8-176.4-2.6000109F18 S19 G25 V37 L38 V39 L87D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 2.69Å; D16-F18 PolarHBondContact OD1-N 2.93Å; D16-S19 VanDerWaalsContact CG-CA 3.48Å; D16-S19 WeakPolarHBondContact OD1-CA 3.43Å; D16-S19 PolarHBondContact OD1-N 3.34Å; D16-S19 VanDerWaalsContact OD2-CA 3.29Å; D16-S19 WeakPolarHBondContact OD2-CA 3.45Å; D16-S19 WeakPolarHBondContact OD2-CB 2.93Å; D16-S19 PolarHBondContact OD2-OG 2.87Å; D16-G25 PolarHBondContact OD2-N 3.08Å; D16-V37 PolarHBondContact N-O 3.3Å; D16-L38 HydrophobicContact CB-CD2 3.89Å; D16-V39 WeakPolarHBondContact O-CB 3.41Å; D16-V39 PolarHBondContact O-N 3.21Å; D16-L87 HydrophobicContact CB-CB 4.47Å; D16-L87 HydrophobicContact CB-CD1 4.43Å
17L97.4Very high95.8Very high2 Ų240.4 Ų40.41%0.0122%0.22CC..THydrogen-bonded Turntrans-77.9-15.5-170.5-83.3170.2000114.1L15 V39 A69 I73 V86 L87 L88 L104L15-L17 HydrophobicContact CD1-CD2 4.18Å; L15-L17 HydrophobicContact CD1-CG 4.34Å; L15-L17 HydrophobicContact CD2-CD1 4.13Å; L15-L17 HydrophobicContact CD2-CD2 4Å; L15-L17 HydrophobicContact CD2-CG 3.87Å; L15-L17 HydrophobicContact CG-CD2 4.21Å; L15-L17 HydrophobicContact CG-CG 3.91Å; L17-V39 CarbonylContact C-O 3.55Å; L17-V39 HydrophobicContact CD2-CG2 4.17Å; L17-A69 HydrophobicContact CB-CB 4.27Å; L17-A69 HydrophobicContact CD2-CB 4.07Å; L17-I73 HydrophobicContact CD1-CD1 3.97Å; L17-I73 HydrophobicContact CD1-CG1 4.23Å; L17-I73 HydrophobicContact CD2-CD1 4.25Å; L17-I73 HydrophobicContact CD2-CG1 3.79Å; L17-V86 HydrophobicContact CD1-CG1 4.36Å; L17-L87 PolarHBondContact N-O 2.91Å; L17-L87 VanDerWaalsContact N-O 3.11Å; L17-L88 HydrophobicContact CB-CD2 4Å; L17-L88 HydrophobicContact CD1-CD2 3.41Å; L17-L88 VanDerWaalsContact CD1-CD2 3.41Å; L17-L88 HydrophobicContact CD1-CG 4.24Å; L17-L88 HydrophobicContact CG-CD2 4.31Å; L17-L104 HydrophobicContact CD1-CD1 4.16Å
18F96.1Very high96.6Very high37 Ų3736.8 Ų36.816%0.16220%0.196CC..THydrogen-bonded Turntrans-14059-175.5-62.1-78.9000109.9D16 G20 A69 L88 D89 P90 Q100D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 2.69Å; D16-F18 PolarHBondContact OD1-N 2.93Å; F18-G20 VanDerWaalsContact C-N 3.29Å; F18-G20 PolarHBondContact O-N 2.87Å; F18-G20 VanDerWaalsContact O-N 3.15Å; F18-A69 HydrophobicContact CE1-CB 3.89Å; F18-A69 HydrophobicContact CE2-CB 4.34Å; F18-A69 HydrophobicContact CZ-CB 3.81Å; F18-L88 HydrophobicContact CD2-CD2 4.29Å; F18-L88 HydrophobicContact CE2-CD2 3.84Å; F18-D89 WeakPolarHBondContact CB-O 3.44Å; F18-P90 HydrophobicContact CD1-CB 4.23Å; F18-P90 HydrophobicContact CD2-CB 3.93Å; F18-P90 HydrophobicContact CE1-CB 3.94Å; F18-P90 HydrophobicContact CE2-CB 3.62Å; F18-P90 HydrophobicContact CE2-CG 4.21Å; F18-P90 HydrophobicContact CG-CB 4.2Å; F18-P90 HydrophobicContact CZ-CB 3.6Å; F18-Q100 VanDerWaalsContact CZ-NE2 3.27Å
19S97Very high96.9Very high4 Ų428.4 Ų28.43%0.02816%0.164CC..  trans-68.8-23.3-157.9-159.90000115.1D16 S21 G22 V39D16-S19 VanDerWaalsContact CG-CA 3.48Å; D16-S19 WeakPolarHBondContact OD1-CA 3.43Å; D16-S19 PolarHBondContact OD1-N 3.34Å; D16-S19 VanDerWaalsContact OD2-CA 3.29Å; D16-S19 WeakPolarHBondContact OD2-CA 3.45Å; D16-S19 WeakPolarHBondContact OD2-CB 2.93Å; D16-S19 PolarHBondContact OD2-OG 2.87Å; S19-S21 PolarHBondContact O-N 2.69Å; S19-G22 PolarHBondContact O-N 3.11Å; S19-G22 WeakPolarHBondContact OG-CA 3.45Å; S19-V39 WeakPolarHBondContact CB-O 3.36Å; S19-V39 PolarHBondContact N-O 3.19Å
20G95.4Very high97.1Very high28 Ų2830.7 Ų30.729%0.28918%0.183SC..THydrogen-bonded Turntrans60.1-105.7176.200000111.7F18 E40 A45 I49F18-G20 VanDerWaalsContact C-N 3.29Å; F18-G20 PolarHBondContact O-N 2.87Å; F18-G20 VanDerWaalsContact O-N 3.15Å; G20-E40 VanDerWaalsContact CA-OE2 3.31Å; G20-E40 WeakPolarHBondContact CA-OE2 3.39Å; G20-E40 PolarHBondContact N-OE2 3.44Å; G20-A45 WeakPolarHBondContact O-CB 3.39Å; G20-I49 VanDerWaalsContact O-CD1 3.26Å; G20-I49 WeakPolarHBondContact O-CD1 3.39Å; G20-I49 VanDerWaalsContact O-CG1 3.25Å; G20-I49 WeakPolarHBondContact O-CG1 3.49Å
21S95.6Very high97.3Very high50 Ų5022.6 Ų22.635%0.3514%0.144SC..THydrogen-bonded Turntrans-88.3-4.4175.262.50000114.2S19 I49 N52S19-S21 PolarHBondContact O-N 2.69Å; S21-I49 VanDerWaalsContact C-CG1 3.5Å; S21-N52 PolarHBondContact O-ND2 2.93Å
22G97.3Very high97.3Very high0 Ų023.5 Ų23.50%015%0.153CC..SBendtrans91.5-1.2-175.300000113.8S19 L24 G25 I26S19-G22 PolarHBondContact O-N 3.11Å; S19-G22 WeakPolarHBondContact OG-CA 3.45Å; G22-L24 PolarHBondContact O-N 2.78Å; G22-G25 PolarHBondContact O-N 3.48Å; G22-I26 VanDerWaalsContact O-CB 3.27Å; G22-I26 WeakPolarHBondContact O-CB 3.43Å; G22-I26 WeakPolarHBondContact O-CD1 3.21Å; G22-I26 WeakPolarHBondContact O-CG1 3.33Å; G22-I26 PolarHBondContact O-N 3.09Å
23S96.7Very high97.3Very high68 Ų6822.7 Ų22.748%0.47614%0.144SC..Hα-helixtrans-57.6-46.2-166.763.60000114.2E27S23-E27 VanDerWaalsContact O-CB 3.27Å; S23-E27 WeakPolarHBondContact O-CB 3.26Å; S23-E27 PolarHBondContact O-N 2.83Å
24L96.8Very high97.3Very high31 Ų3128.8 Ų28.816%0.16217%0.172CC..Hα-helixtrans-70.5-48.5-177-65.1-179.8000111.5M1 F2 G22 I26 E27 A28 L87 D89M1-L24 HydrophobicContact CE-CD1 3.95Å; M1-L24 HydrophobicContact CE-CD2 4.1Å; M1-L24 HydrophobicContact SD-CD2 4.38Å; F2-L24 HydrophobicContact CE2-CD2 4.11Å; F2-L24 VanDerWaalsContact CZ-O 3.25Å; F2-L24 WeakPolarHBondContact CZ-O 2.98Å; G22-L24 PolarHBondContact O-N 2.78Å; L24-I26 PolarHBondContact O-N 3.32Å; L24-E27 PolarHBondContact O-N 3.06Å; L24-A28 PolarHBondContact O-N 2.82Å; L24-L87 HydrophobicContact CB-CD1 3.87Å; L24-D89 HydrophobicContact CD1-CB 4.24Å
25G98Very high97.3Very high0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-66.2-34.3176.700000114.3D16 G22 A28 V29D16-G25 PolarHBondContact OD2-N 3.08Å; G22-G25 PolarHBondContact O-N 3.48Å; G25-A28 WeakPolarHBondContact O-CB 3.42Å; G25-A28 PolarHBondContact O-N 3.03Å; G25-V29 PolarHBondContact O-N 3.42Å
26I98.2Very high97.3Very high31 Ų3132.3 Ų32.316%0.15919%0.188CC..Hα-helixtrans-64.1-43.9171.6-71.5168.2000110.8G22 L24 A28 V29 S30 N52 V53 T56 F62G22-I26 VanDerWaalsContact O-CB 3.27Å; G22-I26 WeakPolarHBondContact O-CB 3.43Å; G22-I26 WeakPolarHBondContact O-CD1 3.21Å; G22-I26 WeakPolarHBondContact O-CG1 3.33Å; G22-I26 PolarHBondContact O-N 3.09Å; L24-I26 PolarHBondContact O-N 3.32Å; I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.27Å; I26-V29 PolarHBondContact O-N 2.87Å; I26-S30 WeakPolarHBondContact O-CB 3.5Å; I26-S30 PolarHBondContact O-N 2.76Å; I26-N52 HydrophobicContact CD1-CB 3.63Å; I26-V53 HydrophobicContact CD1-CG2 4.19Å; I26-V53 HydrophobicContact CG1-CG2 4.26Å; I26-T56 HydrophobicContact CG1-CG2 4.48Å; I26-T56 HydrophobicContact CG2-CG2 3.8Å; I26-F62 HydrophobicContact CB-CE1 4.41Å; I26-F62 HydrophobicContact CB-CZ 4.37Å; I26-F62 HydrophobicContact CG1-CE1 3.86Å; I26-F62 HydrophobicContact CG1-CZ 3.92Å
27E97.4Very high97.3Very high65 Ų6532.3 Ų32.330%0.30419%0.188SC..Hα-helixtrans-63.3-36.2176.7-177.866.9-178.800111.7F2 S23 L24 V29 S30 R31F2-E27 HydrophobicContact CD2-CB 4.18Å; F2-E27 HydrophobicContact CD2-CG 3.45Å; F2-E27 VanDerWaalsContact CD2-CG 3.45Å; F2-E27 HydrophobicContact CE2-CB 3.68Å; F2-E27 HydrophobicContact CE2-CG 3.49Å; F2-E27 VanDerWaalsContact CE2-CG 3.49Å; F2-E27 HydrophobicContact CG-CG 4.02Å; F2-E27 HydrophobicContact CZ-CB 4.09Å; F2-E27 HydrophobicContact CZ-CG 4.08Å; S23-E27 VanDerWaalsContact O-CB 3.27Å; S23-E27 WeakPolarHBondContact O-CB 3.26Å; S23-E27 PolarHBondContact O-N 2.83Å; L24-E27 PolarHBondContact O-N 3.06Å; E27-V29 PolarHBondContact O-N 3.41Å; E27-S30 WeakPolarHBondContact O-CB 3.39Å; E27-S30 PolarHBondContact O-N 2.91Å; E27-R31 WeakPolarHBondContact O-CB 3.36Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.21Å; E27-R31 PolarHBondContact O-N 2.88Å; E27-R31 IonicContact OE1-CZ 3.81Å; E27-R31 IonicContact OE1-NE 3.14Å; E27-R31 PolarHBondContact OE1-NE 2.89Å; E27-R31 IonicContact OE1-NH2 2.83Å; E27-R31 PolarHBondContact OE1-NH2 3.42Å
28A97.9Very high97.4Very high0 Ų032.2 Ų32.20%019%0.188CC..Hα-helixtrans-59.4-46.8174.600000111.8F2 A14 L24 G25 I26 R31 G32 M33 L85F2-A28 HydrophobicContact CE1-CB 3.9Å; F2-A28 HydrophobicContact CZ-CB 3.9Å; A14-A28 HydrophobicContact CB-CB 3.88Å; L24-A28 PolarHBondContact O-N 2.82Å; G25-A28 WeakPolarHBondContact O-CB 3.42Å; G25-A28 PolarHBondContact O-N 3.03Å; I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.27Å; A28-R31 CarbonylContact O-C 3.59Å; A28-R31 PolarHBondContact O-N 3Å; A28-G32 PolarHBondContact O-N 2.86Å; A28-M33 HydrophobicContact CB-CB 4.41Å; A28-M33 HydrophobicContact CB-CG 4.09Å; A28-M33 WeakPolarHBondContact O-CB 3.05Å; A28-M33 PolarHBondContact O-N 2.85Å; A28-M33 VanDerWaalsContact O-N 3.08Å; A28-L85 HydrophobicContact CB-CD2 3.92Å
29V98Very high97.5Very high2 Ų230.5 Ų30.51%0.01218%0.18CC..Hα-helixtrans-67-38.1176.2169.10000111.9G25 I26 E27 R31 G32 M33 A36 R58 F62G25-V29 PolarHBondContact O-N 3.42Å; I26-V29 PolarHBondContact O-N 2.87Å; E27-V29 PolarHBondContact O-N 3.41Å; V29-R31 PolarHBondContact O-N 3.32Å; V29-G32 PolarHBondContact O-N 2.94Å; V29-M33 HydrophobicContact CG2-CB 4.48Å; V29-A36 HydrophobicContact CG2-CB 3.6Å; V29-R58 PolarHBondContact O-NH1 2.93Å; V29-F62 HydrophobicContact CB-CE1 3.92Å; V29-F62 HydrophobicContact CB-CZ 3.65Å; V29-F62 HydrophobicContact CG1-CE1 4.4Å; V29-F62 HydrophobicContact CG1-CE2 4.17Å; V29-F62 HydrophobicContact CG1-CZ 3.73Å; V29-F62 HydrophobicContact CG2-CD1 4.29Å; V29-F62 HydrophobicContact CG2-CE1 3.57Å; V29-F62 HydrophobicContact CG2-CZ 3.77Å
30S97Very high97.5Very high79 Ų7931.3 Ų31.355%0.55218%0.184SC*.Hα-helixtrans-59.3-34.1172.8-174.10000112I26 E27I26-S30 WeakPolarHBondContact O-CB 3.5Å; I26-S30 PolarHBondContact O-N 2.76Å; E27-S30 WeakPolarHBondContact O-CB 3.39Å; E27-S30 PolarHBondContact O-N 2.91Å
31R96.5Very high97.6Very high42 Ų4236.2 Ų36.216%0.15820%0.197CC..THydrogen-bonded Turntrans-87.53.5179.2-71.9179.1-177.6-94.1-5.1115F2 N3 P7 Y8 F9 E27 A28 V29F2-R31 VanDerWaalsContact CB-NE 3.28Å; F2-R31 VanDerWaalsContact CD1-CD 3.43Å; N3-R31 PolarHBondContact OD1-NH1 2.83Å; P7-R31 WeakPolarHBondContact O-CD 3.45Å; P7-R31 PolarHBondContact O-NH1 3.22Å; Y8-R31 CarbonylContact C-O 3.56Å; Y8-R31 WeakPolarHBondContact CA-O 3.35Å; F9-R31 HydrophobicContact CD2-CB 3.84Å; F9-R31 HydrophobicContact CE2-CB 4.01Å; F9-R31 PolarHBondContact N-O 2.8Å; E27-R31 WeakPolarHBondContact O-CB 3.36Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.21Å; E27-R31 PolarHBondContact O-N 2.88Å; E27-R31 IonicContact OE1-CZ 3.81Å; E27-R31 IonicContact OE1-NE 3.14Å; E27-R31 PolarHBondContact OE1-NE 2.89Å; E27-R31 IonicContact OE1-NH2 2.83Å; E27-R31 PolarHBondContact OE1-NH2 3.42Å; A28-R31 CarbonylContact O-C 3.59Å; A28-R31 PolarHBondContact O-N 3Å; V29-R31 PolarHBondContact O-N 3.32Å
32G96.9Very high97.7Very high30 Ų3037.8 Ų37.831%0.30920%0.201SC..THydrogen-bonded Turntrans112.43.3171.300000115.6G11 A28 V29G11-G32 WeakPolarHBondContact CA-O 3.24Å; G11-G32 PolarHBondContact N-O 3.08Å; G11-G32 VanDerWaalsContact N-O 3.11Å; A28-G32 PolarHBondContact O-N 2.86Å; V29-G32 PolarHBondContact O-N 2.94Å
33M97.9Very high97.7Very high4 Ų444.3 Ų44.32%0.0223%0.227CC..  trans-62.9139.1165-70.4-83.9157.500109.8F9 G11 A14 A28 V29 D84 L85F9-M33 HydrophobicContact CB-CE 3.68Å; F9-M33 HydrophobicContact CB-CG 4.28Å; F9-M33 HydrophobicContact CD1-CE 3.22Å; F9-M33 HydrophobicContact CD2-CE 3.94Å; F9-M33 HydrophobicContact CD2-CG 3.95Å; F9-M33 HydrophobicContact CE1-CE 3.76Å; F9-M33 HydrophobicContact CE2-CE 4.4Å; F9-M33 HydrophobicContact CG-CE 3.33Å; F9-M33 HydrophobicContact CG-CG 4.14Å; F9-M33 HydrophobicContact CZ-CE 4.31Å; G11-M33 VanDerWaalsContact O-SD 3.4Å; A14-M33 HydrophobicContact CB-CB 4.46Å; A14-M33 HydrophobicContact CB-CG 4.15Å; A14-M33 HydrophobicContact CB-SD 4.21Å; A28-M33 HydrophobicContact CB-CB 4.41Å; A28-M33 HydrophobicContact CB-CG 4.09Å; A28-M33 WeakPolarHBondContact O-CB 3.05Å; A28-M33 PolarHBondContact O-N 2.85Å; A28-M33 VanDerWaalsContact O-N 3.08Å; V29-M33 HydrophobicContact CG2-CB 4.48Å; M33-D84 HydrophobicContact CE-CB 4.25Å; M33-L85 HydrophobicContact CE-CB 3.74Å; M33-L85 HydrophobicContact CE-CD2 4.33Å; M33-L85 HydrophobicContact SD-CB 4.25Å
34E98.1Very high97.7Very high129 Ų12950.8 Ų50.860%0.60324%0.241SC*.SBendtrans-73.9-40.3-178.9-73.3178.6169.300111.2G12 S61G12-E34 PolarHBondContact O-N 2.82Å; E34-S61 VanDerWaalsContact O-CB 3.29Å; E34-S61 WeakPolarHBondContact O-CB 3.34Å; E34-S61 PolarHBondContact O-OG 3.34Å
35Q98.1Very high97.7Very high76 Ų7650.2 Ų50.236%0.35524%0.24SC..EExtended strand (participates in β ladder)trans-141.1152.1-178.665.1-171.5-23.500112.5G12 A13 A14 S61G12-Q35 PolarHBondContact O-N 3.43Å; A13-Q35 WeakPolarHBondContact CA-O 3.5Å; A13-Q35 HydrophobicContact CB-CG 3.6Å; A14-Q35 PolarHBondContact N-O 2.76Å; Q35-S61 CarbonylContact C-O 3.58Å; Q35-S61 WeakPolarHBondContact CA-O 3.38Å
36A98.7Very high97.7Very high0 Ų050.2 Ų50.20%024%0.241CC..EExtended strand (participates in β ladder)trans-133.6126.2172.900000111.1A14 V29 L38 S61 F62 Q63A14-A36 HydrophobicContact CB-CB 4.25Å; A14-A36 CarbonylContact O-C 3.53Å; A14-A36 VanDerWaalsContact O-CA 3.29Å; A14-A36 WeakPolarHBondContact O-CA 3.31Å; V29-A36 HydrophobicContact CG2-CB 3.6Å; A36-L38 HydrophobicContact CB-CD2 3.96Å; A36-S61 PolarHBondContact N-O 2.8Å; A36-F62 HydrophobicContact CB-CD1 3.82Å; A36-F62 HydrophobicContact CB-CE1 3.98Å; A36-F62 WeakPolarHBondContact O-CA 3.37Å; A36-Q63 PolarHBondContact O-N 3.19Å
37V98.7Very high97.7Very high1 Ų151.6 Ų51.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-88.4116.5167.11790000108.2A14 L15 D16 V39 Q63 M65 L76 L81 F83A14-V37 PolarHBondContact O-N 2.87Å; L15-V37 HydrophobicContact CD1-CB 3.84Å; L15-V37 HydrophobicContact CD1-CG1 3.8Å; D16-V37 PolarHBondContact N-O 3.3Å; V37-V39 HydrophobicContact CG1-CG2 4.16Å; V37-Q63 CarbonylContact C-O 3.55Å; V37-Q63 WeakPolarHBondContact CA-O 3.42Å; V37-Q63 HydrophobicContact CG2-CB 4.12Å; V37-M65 HydrophobicContact CG1-CG 4.13Å; V37-M65 HydrophobicContact CG1-SD 3.59Å; V37-M65 VanDerWaalsContact CG1-SD 3.59Å; V37-L76 HydrophobicContact CG1-CD1 4.35Å; V37-L76 HydrophobicContact CG1-CD2 4.35Å; V37-L76 HydrophobicContact CG2-CD2 4.41Å; V37-L81 HydrophobicContact CG2-CD2 3.75Å; V37-F83 HydrophobicContact CB-CE1 4.02Å; V37-F83 HydrophobicContact CB-CZ 4.18Å; V37-F83 HydrophobicContact CG2-CE1 3.65Å; V37-F83 HydrophobicContact CG2-CZ 3.81Å
38L98.8Very high97.8Very high0 Ų052.1 Ų52.10%025%0.25CS..EExtended strand (participates in β ladder)trans-105.5110.8-179.7-50.8-172.2000109.7D16 A36 I49 V53 F62 Q63 L64 M65D16-L38 HydrophobicContact CB-CD2 3.89Å; A36-L38 HydrophobicContact CB-CD2 3.96Å; L38-I49 HydrophobicContact CB-CG2 4.38Å; L38-I49 HydrophobicContact CD1-CG2 3.59Å; L38-V53 HydrophobicContact CD1-CG2 3.92Å; L38-F62 HydrophobicContact CD1-CD1 3.85Å; L38-F62 HydrophobicContact CD1-CE1 4.42Å; L38-F62 HydrophobicContact CD2-CD1 4.48Å; L38-F62 HydrophobicContact CG-CD1 4.17Å; L38-Q63 PolarHBondContact N-O 3.33Å; L38-L64 HydrophobicContact CB-CD2 3.76Å; L38-L64 HydrophobicContact CD1-CD2 3.76Å; L38-L64 HydrophobicContact CG-CD2 3.98Å; L38-M65 PolarHBondContact O-N 2.87Å
39V98.6Very high97.8Very high0 Ų052.1 Ų52.10%025%0.25CS..EExtended strand (participates in β ladder)trans-101.1123.6179.8-174.10000109.6L15 D16 L17 S19 V37 M65 M67 A72L15-V39 HydrophobicContact CD1-CG2 3.98Å; D16-V39 WeakPolarHBondContact O-CB 3.41Å; D16-V39 PolarHBondContact O-N 3.21Å; L17-V39 CarbonylContact C-O 3.55Å; L17-V39 HydrophobicContact CD2-CG2 4.17Å; S19-V39 WeakPolarHBondContact CB-O 3.36Å; S19-V39 PolarHBondContact N-O 3.19Å; V37-V39 HydrophobicContact CG1-CG2 4.16Å; V39-M65 WeakPolarHBondContact CA-O 3.47Å; V39-M65 HydrophobicContact CG2-CB 4.19Å; V39-M67 HydrophobicContact CG1-CG 4.45Å; V39-M67 VanDerWaalsContact CG1-O 3.32Å; V39-M67 WeakPolarHBondContact CG1-O 3.44Å; V39-A72 HydrophobicContact CB-CB 4.24Å; V39-A72 HydrophobicContact CG1-CB 3.54Å; V39-A72 HydrophobicContact CG2-CB 3.61Å
40E97.8Very high97.8Very high22 Ų2256.9 Ų56.910%0.10327%0.268CS..  trans-147.7127.1175.2173.852.9-11200110.5G20 N42 A45 M46 I49 M65 K66 M67G20-E40 VanDerWaalsContact CA-OE2 3.31Å; G20-E40 WeakPolarHBondContact CA-OE2 3.39Å; G20-E40 PolarHBondContact N-OE2 3.44Å; E40-N42 WeakPolarHBondContact OE1-CA 3.29Å; E40-N42 WeakPolarHBondContact OE1-CB 3.31Å; E40-N42 PolarHBondContact OE1-N 2.99Å; E40-A45 HydrophobicContact CG-CB 3.61Å; E40-M46 HydrophobicContact CB-CE 3.77Å; E40-M46 WeakPolarHBondContact O-CE 3.35Å; E40-I49 HydrophobicContact CB-CD1 3.46Å; E40-I49 VanDerWaalsContact CB-CD1 3.46Å; E40-I49 HydrophobicContact CG-CD1 3.89Å; E40-M65 PolarHBondContact N-O 3.46Å; E40-M65 VanDerWaalsContact N-O 3.11Å; E40-K66 CarbonylContact O-C 3.52Å; E40-K66 WeakPolarHBondContact O-CA 3.2Å; E40-M67 PolarHBondContact O-N 3.06Å
41K96.6Very high97.8Very high131 Ų13159.1 Ų59.157%0.5727%0.27SS*.  trans-84.1-29.1-176.468.3-176.5179.3-174.40113
42N96.9Very high97.9Very high82 Ų8259.2 Ų59.244%0.43927%0.274SS..  trans-79.2121.5-176.5-176.1-62.1000109.6E40 R44 A45 M46E40-N42 WeakPolarHBondContact OE1-CA 3.29Å; E40-N42 WeakPolarHBondContact OE1-CB 3.31Å; E40-N42 PolarHBondContact OE1-N 2.99Å; N42-R44 VanDerWaalsContact C-N 3.35Å; N42-R44 PolarHBondContact O-N 3.28Å; N42-R44 WeakPolarHBondContact OD1-CA 3.25Å; N42-R44 WeakPolarHBondContact OD1-CB 3.27Å; N42-R44 PolarHBondContact OD1-N 2.89Å; N42-A45 HydrophobicContact CB-CB 3.91Å; N42-A45 PolarHBondContact O-N 3.28Å; N42-A45 PolarHBondContact OD1-N 3.22Å; N42-A45 VanDerWaalsContact OD1-N 3.12Å; N42-M46 PolarHBondContact O-N 2.94Å
43Y97.2Very high98Very high138 Ų13858.1 Ų58.154%0.54126%0.261SS..Hα-helixtrans-57-44.5-178.8-178.8-94.4000113.4M46 E47 K66Y43-M46 WeakPolarHBondContact O-CB 3.3Å; Y43-M46 PolarHBondContact O-N 3.27Å; Y43-E47 HydrophobicContact CD1-CG 4.39Å; Y43-E47 HydrophobicContact CE1-CG 3.97Å; Y43-E47 WeakPolarHBondContact CE2-OE1 3.04Å; Y43-E47 PolarHBondContact O-N 2.98Å; Y43-E47 VanDerWaalsContact O-N 3.07Å; Y43-E47 PolarHBondContact OH-OE1 3.16Å; Y43-K66 HydrophobicContact CD2-CD 3.93Å
44R97.5Very high98Very high204 Ų20461 Ų6177%0.7728%0.281SS*.Hα-helixtrans-67.7-40.2-178.3-65.3-178.5178.7171.5-0.8111.6N42 M46 E47 I48N42-R44 VanDerWaalsContact C-N 3.35Å; N42-R44 PolarHBondContact O-N 3.28Å; N42-R44 WeakPolarHBondContact OD1-CA 3.25Å; N42-R44 WeakPolarHBondContact OD1-CB 3.27Å; N42-R44 PolarHBondContact OD1-N 2.89Å; R44-M46 VanDerWaalsContact C-N 3.31Å; R44-E47 PolarHBondContact O-N 3.22Å; R44-I48 PolarHBondContact O-N 3.49Å
45A97.5Very high97.9Very high18 Ų1861.5 Ų61.515%0.14929%0.285CS..Hα-helixtrans-64.1-39174.900000111.2G20 E40 N42 E47 I48 I49G20-A45 WeakPolarHBondContact O-CB 3.39Å; E40-A45 HydrophobicContact CG-CB 3.61Å; N42-A45 HydrophobicContact CB-CB 3.91Å; N42-A45 PolarHBondContact O-N 3.28Å; N42-A45 PolarHBondContact OD1-N 3.22Å; N42-A45 VanDerWaalsContact OD1-N 3.12Å; A45-E47 PolarHBondContact O-N 3.43Å; A45-I48 WeakPolarHBondContact O-CB 3.44Å; A45-I48 PolarHBondContact O-N 3.35Å; A45-I48 VanDerWaalsContact O-N 3.13Å; A45-I49 WeakPolarHBondContact O-CG1 3.3Å; A45-I49 PolarHBondContact O-N 3.07Å
46M98.2Very high97.9Very high1 Ų160 Ų601%0.00528%0.281CS..Hα-helixtrans-62.9-37174.3-175.457.272.800113.6E40 N42 Y43 R44 I48 I49 R50 L64 K66E40-M46 HydrophobicContact CB-CE 3.77Å; E40-M46 WeakPolarHBondContact O-CE 3.35Å; N42-M46 PolarHBondContact O-N 2.94Å; Y43-M46 WeakPolarHBondContact O-CB 3.3Å; Y43-M46 PolarHBondContact O-N 3.27Å; R44-M46 VanDerWaalsContact C-N 3.31Å; M46-I48 VanDerWaalsContact C-N 3.33Å; M46-I49 HydrophobicContact CE-CD1 4.44Å; M46-I49 PolarHBondContact O-N 3.44Å; M46-I49 HydrophobicContact SD-CB 4.35Å; M46-I49 HydrophobicContact SD-CD1 4.32Å; M46-R50 PolarHBondContact O-N 2.8Å; M46-R50 VanDerWaalsContact O-N 3.1Å; M46-L64 HydrophobicContact CE-CB 4.49Å; M46-L64 HydrophobicContact SD-CB 3.99Å; M46-L64 HydrophobicContact SD-CD1 4.28Å; M46-K66 HydrophobicContact CB-CD 4.48Å; M46-K66 HydrophobicContact CB-CG 4.1Å; M46-K66 HydrophobicContact CE-CB 3.85Å; M46-K66 HydrophobicContact CE-CG 4.28Å; M46-K66 HydrophobicContact CG-CB 4.08Å; M46-K66 HydrophobicContact CG-CD 4.41Å; M46-K66 HydrophobicContact CG-CG 3.99Å
47E98.1Very high97.7Very high59 Ų5968.9 Ų68.928%0.27632%0.32SS..Hα-helixtrans-61-43.5172.1-61-49133.700111.3Y43 R44 A45 I49 R50 E51Y43-E47 HydrophobicContact CD1-CG 4.39Å; Y43-E47 HydrophobicContact CE1-CG 3.97Å; Y43-E47 WeakPolarHBondContact CE2-OE1 3.04Å; Y43-E47 PolarHBondContact O-N 2.98Å; Y43-E47 VanDerWaalsContact O-N 3.07Å; Y43-E47 PolarHBondContact OH-OE1 3.16Å; R44-E47 PolarHBondContact O-N 3.22Å; A45-E47 PolarHBondContact O-N 3.43Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 3.27Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 2.89Å; E47-R50 IonicContact OE1-CZ 3.58Å; E47-R50 IonicContact OE1-NH1 2.69Å; E47-R50 PolarHBondContact OE1-NH1 3.29Å; E47-R50 IonicContact OE2-NH1 2.87Å; E47-R50 PolarHBondContact OE2-NH1 2.7Å; E47-E51 PolarHBondContact O-N 3.41Å; E47-E51 VanDerWaalsContact O-N 3.12Å
48I98.1Very high97.6Very high76 Ų7673.7 Ų73.739%0.3934%0.338SS..Hα-helixtrans-61-42.9176.3-65.1167.2000111R44 A45 M46 R50 E51 N52R44-I48 PolarHBondContact O-N 3.49Å; A45-I48 WeakPolarHBondContact O-CB 3.44Å; A45-I48 PolarHBondContact O-N 3.35Å; A45-I48 VanDerWaalsContact O-N 3.13Å; M46-I48 VanDerWaalsContact C-N 3.33Å; I48-R50 VanDerWaalsContact C-N 3.3Å; I48-R50 PolarHBondContact O-N 2.98Å; I48-E51 PolarHBondContact O-N 2.63Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.06Å; I48-N52 WeakPolarHBondContact O-CB 3.27Å; I48-N52 VanDerWaalsContact O-CG 3.31Å; I48-N52 PolarHBondContact O-N 3.11Å; I48-N52 PolarHBondContact O-ND2 2.84Å
49I98.1Very high97.6Very high0 Ų077.5 Ų77.50%036%0.359CS..Hα-helixtrans-58.1-44176.4-67.3166.6000110.6G20 S21 L38 E40 A45 M46 E47 E51 N52 V53 L64G20-I49 VanDerWaalsContact O-CD1 3.26Å; G20-I49 WeakPolarHBondContact O-CD1 3.39Å; G20-I49 VanDerWaalsContact O-CG1 3.25Å; G20-I49 WeakPolarHBondContact O-CG1 3.49Å; S21-I49 VanDerWaalsContact C-CG1 3.5Å; L38-I49 HydrophobicContact CB-CG2 4.38Å; L38-I49 HydrophobicContact CD1-CG2 3.59Å; E40-I49 HydrophobicContact CB-CD1 3.46Å; E40-I49 VanDerWaalsContact CB-CD1 3.46Å; E40-I49 HydrophobicContact CG-CD1 3.89Å; A45-I49 WeakPolarHBondContact O-CG1 3.3Å; A45-I49 PolarHBondContact O-N 3.07Å; M46-I49 HydrophobicContact CE-CD1 4.44Å; M46-I49 PolarHBondContact O-N 3.44Å; M46-I49 HydrophobicContact SD-CB 4.35Å; M46-I49 HydrophobicContact SD-CD1 4.32Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 3.27Å; I49-E51 PolarHBondContact O-N 3.42Å; I49-N52 PolarHBondContact O-N 3.21Å; I49-V53 HydrophobicContact CG2-CG2 4.16Å; I49-V53 WeakPolarHBondContact O-CB 3.35Å; I49-V53 WeakPolarHBondContact O-CG2 3.38Å; I49-V53 PolarHBondContact O-N 2.84Å; I49-L64 HydrophobicContact CG2-CD1 4.26Å; I49-L64 HydrophobicContact CG2-CD2 3.62Å
50R98.2Very high97.6Very high102 Ų10282.8 Ų82.839%0.38540%0.402SS..Hα-helixtrans-61.5-45.2178.8-71.6-169.8-163.8101.32.3112.3M46 E47 I48 S54 L64M46-R50 PolarHBondContact O-N 2.8Å; M46-R50 VanDerWaalsContact O-N 3.1Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 2.89Å; E47-R50 IonicContact OE1-CZ 3.58Å; E47-R50 IonicContact OE1-NH1 2.69Å; E47-R50 PolarHBondContact OE1-NH1 3.29Å; E47-R50 IonicContact OE2-NH1 2.87Å; E47-R50 PolarHBondContact OE2-NH1 2.7Å; I48-R50 VanDerWaalsContact C-N 3.3Å; I48-R50 PolarHBondContact O-N 2.98Å; R50-S54 WeakPolarHBondContact O-CB 2.82Å; R50-S54 PolarHBondContact O-N 2.79Å; R50-L64 HydrophobicContact CB-CD1 4.46Å; R50-L64 HydrophobicContact CG-CD1 3.48Å; R50-L64 VanDerWaalsContact CG-CD1 3.48Å
51E98.1Very high97.6Very high127 Ų12782.8 Ų82.859%0.59340%0.404SS*.Hα-helixtrans-60.4-47.8176.5-68.6175.6-172.700110.8E47 I48 I49 S54 M55E47-E51 PolarHBondContact O-N 3.41Å; E47-E51 VanDerWaalsContact O-N 3.12Å; I48-E51 PolarHBondContact O-N 2.63Å; I49-E51 PolarHBondContact O-N 3.42Å; E51-S54 PolarHBondContact O-N 2.87Å; E51-M55 WeakPolarHBondContact O-CG 3.41Å; E51-M55 PolarHBondContact O-N 2.85Å
52N98.4Very high97.7Very high44 Ų4477.6 Ų77.624%0.23538%0.382CS..Hα-helixtrans-63.4-44179.9-71.4-19.7000112.7S21 I26 I48 I49 M55 T56S21-N52 PolarHBondContact O-ND2 2.93Å; I26-N52 HydrophobicContact CD1-CB 3.63Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.06Å; I48-N52 WeakPolarHBondContact O-CB 3.27Å; I48-N52 VanDerWaalsContact O-CG 3.31Å; I48-N52 PolarHBondContact O-N 3.11Å; I48-N52 PolarHBondContact O-ND2 2.84Å; I49-N52 PolarHBondContact O-N 3.21Å; N52-M55 HydrophobicContact CB-CE 4.39Å; N52-M55 PolarHBondContact O-N 2.83Å; N52-M55 WeakPolarHBondContact OD1-CE 3.42Å; N52-T56 WeakPolarHBondContact O-CG2 3.49Å; N52-T56 PolarHBondContact O-N 3.11Å
53V98.3Very high97.7Very high6 Ų677.9 Ų77.94%0.03638%0.381CS..Hα-helixtrans-60.7-46.2175.2162.40000110.9I26 L38 I49 M55 T56 D59 F62 L64I26-V53 HydrophobicContact CD1-CG2 4.19Å; I26-V53 HydrophobicContact CG1-CG2 4.26Å; L38-V53 HydrophobicContact CD1-CG2 3.92Å; I49-V53 HydrophobicContact CG2-CG2 4.16Å; I49-V53 WeakPolarHBondContact O-CB 3.35Å; I49-V53 WeakPolarHBondContact O-CG2 3.38Å; I49-V53 PolarHBondContact O-N 2.84Å; V53-M55 VanDerWaalsContact C-N 3.28Å; V53-M55 PolarHBondContact O-N 2.8Å; V53-T56 WeakPolarHBondContact O-CB 3.41Å; V53-T56 PolarHBondContact O-N 2.78Å; V53-T56 PolarHBondContact O-OG1 2.85Å; V53-D59 HydrophobicContact CG1-CB 4.39Å; V53-F62 HydrophobicContact CB-CD2 4.29Å; V53-F62 HydrophobicContact CB-CG 4.49Å; V53-F62 HydrophobicContact CG1-CB 3.93Å; V53-F62 HydrophobicContact CG1-CD2 3.51Å; V53-F62 HydrophobicContact CG1-CE2 4.25Å; V53-F62 HydrophobicContact CG1-CG 3.9Å; V53-F62 HydrophobicContact CG2-CB 4.1Å; V53-F62 HydrophobicContact CG2-CD1 4.06Å; V53-F62 HydrophobicContact CG2-CD2 3.96Å; V53-F62 HydrophobicContact CG2-CE1 4.5Å; V53-F62 HydrophobicContact CG2-CE2 4.39Å; V53-F62 HydrophobicContact CG2-CG 3.76Å; V53-L64 HydrophobicContact CG2-CD2 4.32Å
54S97.5Very high97.8Very high65 Ų6574 Ų7446%0.45537%0.369SS..Hα-helixtrans-62.8-35.2-179.8-166.10000112.5R50 E51 T56 K57R50-S54 WeakPolarHBondContact O-CB 2.82Å; R50-S54 PolarHBondContact O-N 2.79Å; E51-S54 PolarHBondContact O-N 2.87Å; S54-T56 PolarHBondContact O-N 2.78Å; S54-K57 PolarHBondContact O-N 2.91Å
55M97.3Very high97.9Very high139 Ų13964.6 Ų64.669%0.68533%0.334SS*.Hα-helixtrans-62.6-24.8174.1-72.1-169.5-67.400113.4E51 N52 V53 K57E51-M55 WeakPolarHBondContact O-CG 3.41Å; E51-M55 PolarHBondContact O-N 2.85Å; N52-M55 HydrophobicContact CB-CE 4.39Å; N52-M55 PolarHBondContact O-N 2.83Å; N52-M55 WeakPolarHBondContact OD1-CE 3.42Å; V53-M55 VanDerWaalsContact C-N 3.28Å; V53-M55 PolarHBondContact O-N 2.8Å; M55-K57 VanDerWaalsContact C-N 3.26Å; M55-K57 PolarHBondContact O-N 2.85Å
56T96.6Very high97.9Very high44 Ų4468.8 Ų68.827%0.2735%0.349SS..THydrogen-bonded Turntrans-72.7-18.6175.874.60000113.2I26 N52 V53 S54 R58 F62I26-T56 HydrophobicContact CG1-CG2 4.48Å; I26-T56 HydrophobicContact CG2-CG2 3.8Å; N52-T56 WeakPolarHBondContact O-CG2 3.49Å; N52-T56 PolarHBondContact O-N 3.11Å; V53-T56 WeakPolarHBondContact O-CB 3.41Å; V53-T56 PolarHBondContact O-N 2.78Å; V53-T56 PolarHBondContact O-OG1 2.85Å; S54-T56 PolarHBondContact O-N 2.78Å; T56-R58 PolarHBondContact O-N 2.83Å; T56-R58 PolarHBondContact OG1-N 2.82Å; T56-R58 VanDerWaalsContact OG1-N 3.16Å; T56-F62 HydrophobicContact CG2-CE2 4.44Å
57K96.5Very high97.9Very high187 Ų18770.3 Ų70.381%0.81336%0.356SS*.THydrogen-bonded Turntrans54.926.5-170.6-53.7178.4-179.5177.40113.5S54 M55S54-K57 PolarHBondContact O-N 2.91Å; M55-K57 VanDerWaalsContact C-N 3.26Å; M55-K57 PolarHBondContact O-N 2.85Å
58R96.6Very high97.8Very high103 Ų10370 Ų7039%0.38936%0.359SS..  trans-126.135.7178.3-64.9-178.467.7-174.8-2.7110.6V29 T56 A60 S61 F62V29-R58 PolarHBondContact O-NH1 2.93Å; T56-R58 PolarHBondContact O-N 2.83Å; T56-R58 PolarHBondContact OG1-N 2.82Å; T56-R58 VanDerWaalsContact OG1-N 3.16Å; R58-A60 PolarHBondContact O-N 3.39Å; R58-S61 WeakPolarHBondContact O-CA 3.41Å; R58-S61 VanDerWaalsContact O-CB 3.3Å; R58-S61 WeakPolarHBondContact O-CB 3.24Å; R58-S61 PolarHBondContact O-N 2.76Å; R58-F62 HydrophobicContact CB-CE2 4.23Å; R58-F62 WeakPolarHBondContact O-CD2 3.36Å
59D97.4Very high97.7Very high80 Ų8066.8 Ų66.843%0.42834%0.344SS..G310 helixtrans-50.2-36.3-176-55.6-130.5000112.4V53 S61 F62V53-D59 HydrophobicContact CG1-CB 4.39Å; D59-S61 PolarHBondContact O-N 2.98Å; D59-F62 PolarHBondContact O-N 3.48Å
60A97.9Very high97.6Very high110 Ų11068.9 Ų68.991%0.90936%0.355SS*.G310 helixtrans-66-18.8176.800000114.7R58 F62R58-A60 PolarHBondContact O-N 3.39Å; A60-F62 VanDerWaalsContact C-N 3.26Å
61S98.4Very high97.6Very high22 Ų2269.7 Ų69.715%0.15436%0.363CS..G310 helixtrans-82.40.4172.8-69.70000112.6E34 Q35 A36 R58 D59E34-S61 VanDerWaalsContact O-CB 3.29Å; E34-S61 WeakPolarHBondContact O-CB 3.34Å; E34-S61 PolarHBondContact O-OG 3.34Å; Q35-S61 CarbonylContact C-O 3.58Å; Q35-S61 WeakPolarHBondContact CA-O 3.38Å; A36-S61 PolarHBondContact N-O 2.8Å; R58-S61 WeakPolarHBondContact O-CA 3.41Å; R58-S61 VanDerWaalsContact O-CB 3.3Å; R58-S61 WeakPolarHBondContact O-CB 3.24Å; R58-S61 PolarHBondContact O-N 2.76Å; D59-S61 PolarHBondContact O-N 2.98Å
62F98.6Very high97.6Very high23 Ų2363.6 Ų63.610%0.10134%0.335CS..EExtended strand (participates in β ladder)trans-126.3132.2-176.5-60.1-82.1000112.4I26 V29 A36 L38 V53 T56 R58 D59 A60 L64I26-F62 HydrophobicContact CB-CE1 4.41Å; I26-F62 HydrophobicContact CB-CZ 4.37Å; I26-F62 HydrophobicContact CG1-CE1 3.86Å; I26-F62 HydrophobicContact CG1-CZ 3.92Å; V29-F62 HydrophobicContact CB-CE1 3.92Å; V29-F62 HydrophobicContact CB-CZ 3.65Å; V29-F62 HydrophobicContact CG1-CE1 4.4Å; V29-F62 HydrophobicContact CG1-CE2 4.17Å; V29-F62 HydrophobicContact CG1-CZ 3.73Å; V29-F62 HydrophobicContact CG2-CD1 4.29Å; V29-F62 HydrophobicContact CG2-CE1 3.57Å; V29-F62 HydrophobicContact CG2-CZ 3.77Å; A36-F62 HydrophobicContact CB-CD1 3.82Å; A36-F62 HydrophobicContact CB-CE1 3.98Å; A36-F62 WeakPolarHBondContact O-CA 3.37Å; L38-F62 HydrophobicContact CD1-CD1 3.85Å; L38-F62 HydrophobicContact CD1-CE1 4.42Å; L38-F62 HydrophobicContact CD2-CD1 4.48Å; L38-F62 HydrophobicContact CG-CD1 4.17Å; V53-F62 HydrophobicContact CB-CD2 4.29Å; V53-F62 HydrophobicContact CB-CG 4.49Å; V53-F62 HydrophobicContact CG1-CB 3.93Å; V53-F62 HydrophobicContact CG1-CD2 3.51Å; V53-F62 HydrophobicContact CG1-CE2 4.25Å; V53-F62 HydrophobicContact CG1-CG 3.9Å; V53-F62 HydrophobicContact CG2-CB 4.1Å; V53-F62 HydrophobicContact CG2-CD1 4.06Å; V53-F62 HydrophobicContact CG2-CD2 3.96Å; V53-F62 HydrophobicContact CG2-CE1 4.5Å; V53-F62 HydrophobicContact CG2-CE2 4.39Å; V53-F62 HydrophobicContact CG2-CG 3.76Å; T56-F62 HydrophobicContact CG2-CE2 4.44Å; R58-F62 HydrophobicContact CB-CE2 4.23Å; R58-F62 WeakPolarHBondContact O-CD2 3.36Å; D59-F62 PolarHBondContact O-N 3.48Å; A60-F62 VanDerWaalsContact C-N 3.26Å; F62-L64 HydrophobicContact CB-CD2 4.36Å
63Q98.3Very high97.6Very high88 Ų8861.5 Ų61.541%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-110.8121.1167.8177.6179.9-5.100109.1A36 V37 L38 M65A36-Q63 PolarHBondContact O-N 3.19Å; V37-Q63 CarbonylContact C-O 3.55Å; V37-Q63 WeakPolarHBondContact CA-O 3.42Å; V37-Q63 HydrophobicContact CG2-CB 4.12Å; L38-Q63 PolarHBondContact N-O 3.33Å; Q63-M65 HydrophobicContact CG-CG 4.44Å
64L98.5Very high97.5Very high57 Ų5767.6 Ų67.630%0.29835%0.35SS..EExtended strand (participates in β ladder)trans-101.2123-176.9-52.4-173.5000111.2L38 M46 I49 R50 V53 F62L38-L64 HydrophobicContact CB-CD2 3.76Å; L38-L64 HydrophobicContact CD1-CD2 3.76Å; L38-L64 HydrophobicContact CG-CD2 3.98Å; M46-L64 HydrophobicContact CE-CB 4.49Å; M46-L64 HydrophobicContact SD-CB 3.99Å; M46-L64 HydrophobicContact SD-CD1 4.28Å; I49-L64 HydrophobicContact CG2-CD1 4.26Å; I49-L64 HydrophobicContact CG2-CD2 3.62Å; R50-L64 HydrophobicContact CB-CD1 4.46Å; R50-L64 HydrophobicContact CG-CD1 3.48Å; R50-L64 VanDerWaalsContact CG-CD1 3.48Å; V53-L64 HydrophobicContact CG2-CD2 4.32Å; F62-L64 HydrophobicContact CB-CD2 4.36Å
65M98.6Very high97.5Very high6 Ų669.6 Ų69.63%0.0335%0.352CS..EExtended strand (participates in β ladder)trans-118101.7-179.4-67.2-177.172.500110.9V37 L38 V39 E40 Q63 M67 A72 Q75 L76V37-M65 HydrophobicContact CG1-CG 4.13Å; V37-M65 HydrophobicContact CG1-SD 3.59Å; V37-M65 VanDerWaalsContact CG1-SD 3.59Å; L38-M65 PolarHBondContact O-N 2.87Å; V39-M65 WeakPolarHBondContact CA-O 3.47Å; V39-M65 HydrophobicContact CG2-CB 4.19Å; E40-M65 PolarHBondContact N-O 3.46Å; E40-M65 VanDerWaalsContact N-O 3.11Å; Q63-M65 HydrophobicContact CG-CG 4.44Å; M65-M67 HydrophobicContact CB-CE 4.13Å; M65-M67 HydrophobicContact CB-CG 4.38Å; M65-M67 HydrophobicContact CE-CE 3.8Å; M65-M67 HydrophobicContact CE-SD 3.62Å; M65-M67 PolarHBondContact O-N 3.29Å; M65-A72 HydrophobicContact CE-CB 3.94Å; M65-A72 HydrophobicContact SD-CB 4.42Å; M65-Q75 HydrophobicContact CE-CB 4.01Å; M65-Q75 HydrophobicContact CE-CG 4.05Å; M65-L76 HydrophobicContact CE-CG 4.26Å; M65-L76 HydrophobicContact SD-CD1 4.3Å; M65-L76 HydrophobicContact SD-CD2 3.94Å; M65-L76 HydrophobicContact SD-CG 4.03Å
66K98.2Very high97.6Very high105 Ų10563.5 Ų63.546%0.45732%0.322SS..  trans-82.774.7-178.8-166-160.865.6168.50112.3E40 Y43 M46E40-K66 CarbonylContact O-C 3.52Å; E40-K66 WeakPolarHBondContact O-CA 3.2Å; Y43-K66 HydrophobicContact CD2-CD 3.93Å; M46-K66 HydrophobicContact CB-CD 4.48Å; M46-K66 HydrophobicContact CB-CG 4.1Å; M46-K66 HydrophobicContact CE-CB 3.85Å; M46-K66 HydrophobicContact CE-CG 4.28Å; M46-K66 HydrophobicContact CG-CB 4.08Å; M46-K66 HydrophobicContact CG-CD 4.41Å; M46-K66 HydrophobicContact CG-CG 3.99Å
67M98.1Very high97.5Very high33 Ų3363 Ų6316%0.16332%0.322CS..SBendtrans-159.3167.8-176.565.9-169.868.800112.4V39 E40 M65 Q71 A72 Q75V39-M67 HydrophobicContact CG1-CG 4.45Å; V39-M67 VanDerWaalsContact CG1-O 3.32Å; V39-M67 WeakPolarHBondContact CG1-O 3.44Å; E40-M67 PolarHBondContact O-N 3.06Å; M65-M67 HydrophobicContact CB-CE 4.13Å; M65-M67 HydrophobicContact CB-CG 4.38Å; M65-M67 HydrophobicContact CE-CE 3.8Å; M65-M67 HydrophobicContact CE-SD 3.62Å; M65-M67 PolarHBondContact O-N 3.29Å; M67-Q71 HydrophobicContact SD-CB 4.4Å; M67-A72 HydrophobicContact CG-CB 3.89Å; M67-A72 HydrophobicContact SD-CB 3.99Å; M67-Q75 PolarHBondContact SD-OE1 3.48Å
68P96.2Very high97.4Very high53 Ų5361 Ų6134%0.34432%0.321SS..  trans-62.4142.5172.2-2234.4000112.7N70 Q71 A72P68-N70 VanDerWaalsContact C-N 3.35Å; P68-N70 PolarHBondContact O-N 3.04Å; P68-Q71 HydrophobicContact CB-CG 4.42Å; P68-Q71 HydrophobicContact CG-CG 4.48Å; P68-Q71 WeakPolarHBondContact O-CA 3.34Å; P68-Q71 WeakPolarHBondContact O-CB 3.47Å; P68-Q71 PolarHBondContact O-N 2.6Å; P68-A72 PolarHBondContact O-N 2.84Å
69A96.1Very high97.2Very high8 Ų857.6 Ų57.67%0.06632%0.317CS..Hα-helixtrans-45-51.2179.500000114L17 F18 Q71 A72 I73L17-A69 HydrophobicContact CB-CB 4.27Å; L17-A69 HydrophobicContact CD2-CB 4.07Å; F18-A69 HydrophobicContact CE1-CB 3.89Å; F18-A69 HydrophobicContact CE2-CB 4.34Å; F18-A69 HydrophobicContact CZ-CB 3.81Å; A69-Q71 PolarHBondContact O-N 3.27Å; A69-A72 WeakPolarHBondContact O-CB 3.29Å; A69-A72 PolarHBondContact O-N 2.8Å; A69-I73 WeakPolarHBondContact O-CG1 3.37Å; A69-I73 PolarHBondContact O-N 3.43Å
70N95.9Very high97Very high44 Ų4461.2 Ų61.224%0.23534%0.336CS..Hα-helixtrans-65.9-25.2-178.2-60.17.7000112.9P68 K74 E96 Q100 M103P68-N70 VanDerWaalsContact C-N 3.35Å; P68-N70 PolarHBondContact O-N 3.04Å; N70-K74 WeakPolarHBondContact O-CG 3.49Å; N70-E96 PolarHBondContact ND2-OE2 3.01Å; N70-Q100 WeakPolarHBondContact OD1-CG 3.47Å; N70-Q100 PolarHBondContact OD1-NE2 3.45Å; N70-M103 HydrophobicContact CB-CE 4.1Å; N70-M103 HydrophobicContact CB-SD 4.34Å; N70-M103 WeakPolarHBondContact O-CE 3.34Å
71Q97.5Very high96.9Very high119 Ų11957.7 Ų57.756%0.55630%0.302SS*.Hα-helixtrans-78.3-39.3172.6-65.7-177.910.400110.8M67 P68 A69 K74 Q75M67-Q71 HydrophobicContact SD-CB 4.4Å; P68-Q71 HydrophobicContact CB-CG 4.42Å; P68-Q71 HydrophobicContact CG-CG 4.48Å; P68-Q71 WeakPolarHBondContact O-CA 3.34Å; P68-Q71 WeakPolarHBondContact O-CB 3.47Å; P68-Q71 PolarHBondContact O-N 2.6Å; A69-Q71 PolarHBondContact O-N 3.27Å; Q71-K74 PolarHBondContact O-N 3.32Å; Q71-Q75 PolarHBondContact O-N 3.23Å
72A98.1Very high96.9Very high0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-60.2-45.5174.800000112V39 M65 M67 P68 A69 K74 Q75 L76V39-A72 HydrophobicContact CB-CB 4.24Å; V39-A72 HydrophobicContact CG1-CB 3.54Å; V39-A72 HydrophobicContact CG2-CB 3.61Å; M65-A72 HydrophobicContact CE-CB 3.94Å; M65-A72 HydrophobicContact SD-CB 4.42Å; M67-A72 HydrophobicContact CG-CB 3.89Å; M67-A72 HydrophobicContact SD-CB 3.99Å; P68-A72 PolarHBondContact O-N 2.84Å; A69-A72 WeakPolarHBondContact O-CB 3.29Å; A69-A72 PolarHBondContact O-N 2.8Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 2.98Å; A72-Q75 PolarHBondContact O-N 3.06Å; A72-Q75 VanDerWaalsContact O-N 3.16Å; A72-L76 WeakPolarHBondContact O-CB 3.19Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.35Å; A72-L76 PolarHBondContact O-N 2.87Å
73I98.1Very high96.9Very high0 Ų059.2 Ų59.20%030%0.304CS..Hα-helixtrans-55.3-46.3176-64169.4000110.7L17 A69 Q75 L76 A77 Q100 M103 L104 L109L17-I73 HydrophobicContact CD1-CD1 3.97Å; L17-I73 HydrophobicContact CD1-CG1 4.23Å; L17-I73 HydrophobicContact CD2-CD1 4.25Å; L17-I73 HydrophobicContact CD2-CG1 3.79Å; A69-I73 WeakPolarHBondContact O-CG1 3.37Å; A69-I73 PolarHBondContact O-N 3.43Å; I73-Q75 PolarHBondContact O-N 3.34Å; I73-L76 PolarHBondContact O-N 2.97Å; I73-A77 PolarHBondContact O-N 3.31Å; I73-A77 VanDerWaalsContact O-N 3.17Å; I73-Q100 HydrophobicContact CD1-CB 4.1Å; I73-Q100 HydrophobicContact CD1-CG 4.18Å; I73-M103 HydrophobicContact CB-CE 4.1Å; I73-M103 HydrophobicContact CD1-CB 4.35Å; I73-M103 HydrophobicContact CD1-CE 4.44Å; I73-M103 HydrophobicContact CG2-CB 3.87Å; I73-M103 HydrophobicContact CG2-CE 4.05Å; I73-L104 HydrophobicContact CD1-CD2 4.45Å; I73-L104 HydrophobicContact CD1-CG 4.24Å; I73-L104 HydrophobicContact CG1-CD2 4.09Å; I73-L104 HydrophobicContact CG1-CG 4.42Å; I73-L104 HydrophobicContact CG2-CD2 4.21Å; I73-L104 HydrophobicContact CG2-CG 4.48Å; I73-L109 HydrophobicContact CG2-CD1 3.82Å; I73-L109 WeakPolarHBondContact O-CD1 3.34Å
74K97.6Very high96.9Very high134 Ų13457 Ų5758%0.58330%0.295SS*.Hα-helixtrans-65-40178.3-69.8178.4179.9-168.80113N70 Q71 A72 A77 M103N70-K74 WeakPolarHBondContact O-CG 3.49Å; Q71-K74 PolarHBondContact O-N 3.32Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 2.98Å; K74-A77 WeakPolarHBondContact O-CB 3.27Å; K74-A77 PolarHBondContact O-N 3.29Å; K74-M103 HydrophobicContact CG-CE 4.07Å
75Q97.9Very high96.9Very high106 Ų10654.3 Ų54.350%0.49528%0.281SS..Hα-helixtrans-71.9-32.1178.9-177.8174.7-27.800112.2M65 M67 Q71 A72 I73 A77 D78M65-Q75 HydrophobicContact CE-CB 4.01Å; M65-Q75 HydrophobicContact CE-CG 4.05Å; M67-Q75 PolarHBondContact SD-OE1 3.48Å; Q71-Q75 PolarHBondContact O-N 3.23Å; A72-Q75 PolarHBondContact O-N 3.06Å; A72-Q75 VanDerWaalsContact O-N 3.16Å; I73-Q75 PolarHBondContact O-N 3.34Å; Q75-A77 VanDerWaalsContact C-N 3.27Å; Q75-D78 PolarHBondContact O-N 2.96Å
76L98.2Very high96.8Very high12 Ų1254 Ų546%0.06328%0.279CS..Hα-helixtrans-68.4-29.5174.8-73.1164.4000111.7L15 V37 M65 A72 I73 D78 G79 F83 L109L15-L76 HydrophobicContact CD1-CD1 3.84Å; L15-L76 HydrophobicContact CD2-CD1 4.35Å; V37-L76 HydrophobicContact CG1-CD1 4.35Å; V37-L76 HydrophobicContact CG1-CD2 4.35Å; V37-L76 HydrophobicContact CG2-CD2 4.41Å; M65-L76 HydrophobicContact CE-CG 4.26Å; M65-L76 HydrophobicContact SD-CD1 4.3Å; M65-L76 HydrophobicContact SD-CD2 3.94Å; M65-L76 HydrophobicContact SD-CG 4.03Å; A72-L76 WeakPolarHBondContact O-CB 3.19Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.35Å; A72-L76 PolarHBondContact O-N 2.87Å; I73-L76 PolarHBondContact O-N 2.97Å; L76-D78 PolarHBondContact O-N 3.22Å; L76-G79 PolarHBondContact O-N 2.8Å; L76-F83 HydrophobicContact CD1-CE2 3.93Å; L76-F83 HydrophobicContact CD1-CZ 3.91Å; L76-F83 HydrophobicContact CD2-CE2 4.48Å; L76-F83 HydrophobicContact CD2-CZ 4.03Å; L76-L109 HydrophobicContact CB-CD1 4.06Å; L76-L109 HydrophobicContact CB-CD2 3.98Å
77A95.7Very high96.8Very high32 Ų3249 Ų4926%0.26426%0.258SS..THydrogen-bonded Turntrans-61.8-23.6176.900000113.6I73 K74 Q75 G79 N107I73-A77 PolarHBondContact O-N 3.31Å; I73-A77 VanDerWaalsContact O-N 3.17Å; K74-A77 WeakPolarHBondContact O-CB 3.27Å; K74-A77 PolarHBondContact O-N 3.29Å; Q75-A77 VanDerWaalsContact C-N 3.27Å; A77-G79 PolarHBondContact O-N 2.94Å; A77-N107 HydrophobicContact CB-CB 3.7Å; A77-N107 WeakPolarHBondContact CB-OD1 3.35Å
78D93.5Very high96.7Very high147 Ų14747.6 Ų47.679%0.78625%0.251SS*.THydrogen-bonded Turntrans-75-4175.3-64.3-34.7000112.8Q75 L76Q75-D78 PolarHBondContact O-N 2.96Å; L76-D78 PolarHBondContact O-N 3.22Å
79G92.9Very high96.6Very high31 Ų3148 Ų4832%0.3225%0.25SC..SBendtrans-118.2170.4-178.900000114.6L76 A77 L81 R82L76-G79 PolarHBondContact O-N 2.8Å; A77-G79 PolarHBondContact O-N 2.94Å; G79-L81 VanDerWaalsContact C-N 3.33Å; G79-R82 PolarHBondContact O-NH1 3.32Å
80D92.6Very high96.3Very high155 Ų15548.2 Ų48.283%0.82925%0.251SS*.SBendtrans-88.60.1-179.8-60.8-48.7000113.5R82D80-R82 VanDerWaalsContact C-NH1 3.29Å; D80-R82 PolarHBondContact O-NH1 2.87Å
81L95.9Very high95.8Very high37 Ų3749.6 Ų49.619%0.19426%0.262CS..  trans-69.9134.2-178.4-176.558.1000110.7A13 V37 G79 F83A13-L81 HydrophobicContact CB-CD1 3.76Å; V37-L81 HydrophobicContact CG2-CD2 3.75Å; G79-L81 VanDerWaalsContact C-N 3.33Å; L81-F83 HydrophobicContact CD2-CE1 3.67Å; L81-F83 HydrophobicContact CD2-CZ 3.69Å; L81-F83 HydrophobicContact CG-CE1 4.01Å; L81-F83 HydrophobicContact CG-CZ 3.99Å
82R98.1Very high94.4Very high77 Ų7753.7 Ų53.729%0.29127%0.274SS..  trans-126.1144.7175.6-56.5-62-177.6-99.610.8109A13 G79 D80 E108 L109 T111A13-R82 WeakPolarHBondContact CB-O 3.21Å; G79-R82 PolarHBondContact O-NH1 3.32Å; D80-R82 VanDerWaalsContact C-NH1 3.29Å; D80-R82 PolarHBondContact O-NH1 2.87Å; R82-E108 WeakPolarHBondContact CD-O 3.37Å; R82-E108 PolarHBondContact NE-O 3.38Å; R82-L109 CarbonylContact C-O 3.59Å; R82-L109 WeakPolarHBondContact CA-O 3.41Å; R82-T111 HydrophobicContact CB-CG2 3.62Å
83F98.6Very high92.6Very high0 Ų054.8 Ų54.80%028%0.283CS..EExtended strand (participates in β ladder)trans-107131.1-173.2-59.9-73.6000111.8A13 L15 V37 L76 L81 V86 L109 L110 T111 A114A13-F83 HydrophobicContact CB-CD1 3.87Å; A13-F83 HydrophobicContact CB-CE1 4.35Å; A13-F83 WeakPolarHBondContact O-CA 3.48Å; L15-F83 HydrophobicContact CB-CB 4.31Å; L15-F83 HydrophobicContact CB-CD1 3.53Å; L15-F83 HydrophobicContact CB-CD2 3.95Å; L15-F83 HydrophobicContact CB-CE1 3.69Å; L15-F83 HydrophobicContact CB-CE2 4.12Å; L15-F83 HydrophobicContact CB-CG 3.65Å; L15-F83 HydrophobicContact CB-CZ 3.99Å; L15-F83 HydrophobicContact CD1-CE1 4.38Å; L15-F83 HydrophobicContact CD1-CE2 4.41Å; L15-F83 HydrophobicContact CD1-CZ 4.07Å; L15-F83 HydrophobicContact CD2-CD2 3.92Å; L15-F83 HydrophobicContact CD2-CE2 3.86Å; L15-F83 HydrophobicContact CD2-CG 4.46Å; L15-F83 HydrophobicContact CD2-CZ 4.32Å; L15-F83 HydrophobicContact CG-CD2 4.49Å; L15-F83 HydrophobicContact CG-CE1 4.5Å; L15-F83 HydrophobicContact CG-CE2 4.36Å; L15-F83 HydrophobicContact CG-CZ 4.34Å; V37-F83 HydrophobicContact CB-CE1 4.02Å; V37-F83 HydrophobicContact CB-CZ 4.18Å; V37-F83 HydrophobicContact CG2-CE1 3.65Å; V37-F83 HydrophobicContact CG2-CZ 3.81Å; L76-F83 HydrophobicContact CD1-CE2 3.93Å; L76-F83 HydrophobicContact CD1-CZ 3.91Å; L76-F83 HydrophobicContact CD2-CE2 4.48Å; L76-F83 HydrophobicContact CD2-CZ 4.03Å; L81-F83 HydrophobicContact CD2-CE1 3.67Å; L81-F83 HydrophobicContact CD2-CZ 3.69Å; L81-F83 HydrophobicContact CG-CE1 4.01Å; L81-F83 HydrophobicContact CG-CZ 3.99Å; F83-V86 HydrophobicContact CB-CG2 3.91Å; F83-L109 HydrophobicContact CD2-CB 4.36Å; F83-L109 WeakPolarHBondContact CD2-O 3.48Å; F83-L109 PolarHBondContact N-O 3.24Å; F83-L110 HydrophobicContact CB-CD2 4.47Å; F83-T111 PolarHBondContact O-N 3.35Å; F83-T111 VanDerWaalsContact O-N 3.11Å; F83-A114 WeakPolarHBondContact O-CB 3.38Å
84D98Very high90.6Very high42 Ų4261.7 Ų61.723%0.22531%0.313CS..EExtended strand (participates in β ladder)trans-90-22.1173.5-56-73.2000111.4G12 A13 M33 T111 A114 I115G12-D84 WeakPolarHBondContact CA-OD2 3.43Å; A13-D84 PolarHBondContact N-OD2 3.14Å; A13-D84 PolarHBondContact O-N 3.43Å; M33-D84 HydrophobicContact CE-CB 4.25Å; D84-T111 WeakPolarHBondContact OD1-CB 3.32Å; D84-T111 WeakPolarHBondContact OD1-CG2 3.21Å; D84-T111 PolarHBondContact OD1-OG1 3.16Å; D84-A114 CarbonylContact O-C 3.57Å; D84-A114 WeakPolarHBondContact O-CA 3.33Å; D84-I115 PolarHBondContact O-N 3.26Å
85L98.3Very high89.1Confident0 Ų064.1 Ų64.10%033%0.327CS..EExtended strand (participates in β ladder)trans-135.1126.8175.9178.361.7000110.2F2 I5 F9 A13 A14 L15 A28 M33 L87 I115 V117F2-L85 HydrophobicContact CE1-CD2 3.93Å; I5-L85 HydrophobicContact CD1-CD1 3.69Å; I5-L85 HydrophobicContact CD1-CD2 4.34Å; F9-L85 HydrophobicContact CE1-CD2 4.38Å; F9-L85 HydrophobicContact CE2-CD2 4.13Å; F9-L85 HydrophobicContact CZ-CD2 3.79Å; A13-L85 PolarHBondContact O-N 3.11Å; A14-L85 CarbonylContact C-O 3.59Å; A14-L85 VanDerWaalsContact CA-O 3.24Å; A14-L85 WeakPolarHBondContact CA-O 3.11Å; A14-L85 HydrophobicContact CB-CB 4.15Å; A14-L85 HydrophobicContact CB-CD2 4.25Å; A14-L85 HydrophobicContact CB-CG 4.43Å; L15-L85 PolarHBondContact N-O 3.04Å; A28-L85 HydrophobicContact CB-CD2 3.92Å; M33-L85 HydrophobicContact CE-CB 3.74Å; M33-L85 HydrophobicContact CE-CD2 4.33Å; M33-L85 HydrophobicContact SD-CB 4.25Å; L85-L87 HydrophobicContact CD1-CD2 3.76Å; L85-L87 HydrophobicContact CD2-CD1 4.35Å; L85-L87 HydrophobicContact CD2-CD2 4.05Å; L85-L87 HydrophobicContact CD2-CG 4.4Å; L85-L87 HydrophobicContact CG-CD2 3.83Å; L85-L87 HydrophobicContact CG-CG 4.13Å; L85-I115 CarbonylContact C-O 3.57Å; L85-I115 WeakPolarHBondContact CA-O 3.22Å; L85-I115 HydrophobicContact CD1-CB 4.28Å; L85-I115 HydrophobicContact CD1-CG2 4.43Å; L85-V117 HydrophobicContact CD1-CG2 4.14Å
86V98.3Very high88.6Confident0 Ų062.4 Ų62.40%032%0.318CS..EExtended strand (participates in β ladder)trans-120.8132.1171.5-178.30000110.1L15 L17 F83 L88 L104 L110 I115 V116 V117L15-V86 HydrophobicContact CB-CG2 4.26Å; L15-V86 HydrophobicContact CD2-CG1 4.33Å; L15-V86 CarbonylContact O-C 3.45Å; L15-V86 WeakPolarHBondContact O-CA 3.4Å; L17-V86 HydrophobicContact CD1-CG1 4.36Å; F83-V86 HydrophobicContact CB-CG2 3.91Å; V86-L88 HydrophobicContact CG1-CD1 4.33Å; V86-L88 HydrophobicContact CG1-CG 4.21Å; V86-L104 HydrophobicContact CG1-CD1 3.8Å; V86-L104 HydrophobicContact CG2-CD1 4.42Å; V86-L110 HydrophobicContact CG2-CD2 3.46Å; V86-L110 VanDerWaalsContact CG2-CD2 3.46Å; V86-I115 PolarHBondContact N-O 3.17Å; V86-V116 HydrophobicContact CB-CB 4.48Å; V86-V116 HydrophobicContact CB-CG1 4.21Å; V86-V116 HydrophobicContact CB-CG2 4.11Å; V86-V116 HydrophobicContact CG1-CG1 4.38Å; V86-V116 HydrophobicContact CG2-CG2 4.44Å; V86-V116 WeakPolarHBondContact O-CA 3.46Å; V86-V117 PolarHBondContact O-N 3.38Å
87L97.7Very high88.4Confident0 Ų062 Ų620%032%0.316CS..EExtended strand (participates in β ladder)trans-117.9119.8-176.7-49.8170000107.9M1 F2 L15 D16 L17 L24 L85 V117M1-L87 HydrophobicContact CE-CD2 3.47Å; M1-L87 VanDerWaalsContact CE-CD2 3.47Å; M1-L87 HydrophobicContact CE-CG 4.48Å; F2-L87 HydrophobicContact CZ-CD1 4.22Å; L15-L87 PolarHBondContact O-N 3.23Å; D16-L87 HydrophobicContact CB-CB 4.47Å; D16-L87 HydrophobicContact CB-CD1 4.43Å; L17-L87 PolarHBondContact N-O 2.91Å; L17-L87 VanDerWaalsContact N-O 3.11Å; L24-L87 HydrophobicContact CB-CD1 3.87Å; L85-L87 HydrophobicContact CD1-CD2 3.76Å; L85-L87 HydrophobicContact CD2-CD1 4.35Å; L85-L87 HydrophobicContact CD2-CD2 4.05Å; L85-L87 HydrophobicContact CD2-CG 4.4Å; L85-L87 HydrophobicContact CG-CD2 3.83Å; L85-L87 HydrophobicContact CG-CG 4.13Å; L87-V117 HydrophobicContact CD2-CB 4.15Å; L87-V117 HydrophobicContact CD2-CG2 4.23Å
88L95.9Very high88.4Confident2 Ų262.1 Ų62.11%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-123.596.7-177.1-76.3159.9000108.8L17 F18 V86 P90 I97 Q100 I101 V116 V117 C118 E119L17-L88 HydrophobicContact CB-CD2 4Å; L17-L88 HydrophobicContact CD1-CD2 3.41Å; L17-L88 VanDerWaalsContact CD1-CD2 3.41Å; L17-L88 HydrophobicContact CD1-CG 4.24Å; L17-L88 HydrophobicContact CG-CD2 4.31Å; F18-L88 HydrophobicContact CD2-CD2 4.29Å; F18-L88 HydrophobicContact CE2-CD2 3.84Å; V86-L88 HydrophobicContact CG1-CD1 4.33Å; V86-L88 HydrophobicContact CG1-CG 4.21Å; L88-P90 VanDerWaalsContact C-CD 3.42Å; L88-P90 WeakPolarHBondContact O-CD 3.49Å; L88-I97 HydrophobicContact CD1-CG2 4.34Å; L88-Q100 HydrophobicContact CD2-CB 4.33Å; L88-I101 HydrophobicContact CD1-CD1 4.19Å; L88-I101 HydrophobicContact CD1-CG1 3.78Å; L88-V116 HydrophobicContact CD1-CG1 3.8Å; L88-V117 PolarHBondContact N-O 3.5Å; L88-C118 CarbonylContact O-C 3.39Å; L88-C118 WeakPolarHBondContact O-CA 3.48Å; L88-E119 PolarHBondContact O-N 3.38Å
89D93.3Very high88.5Confident61 Ų6159.2 Ų59.233%0.32629%0.294SS..  trans-122.768.1174.4-176.721.4000111F18 L24 E119F18-D89 WeakPolarHBondContact CB-O 3.44Å; L24-D89 HydrophobicContact CD1-CB 4.24Å; D89-E119 HydrophobicContact CB-CB 4.27Å
90P90.9Very high88.6Confident14 Ų1458 Ų589%0.09128%0.28CS..  trans-69.7144.5-176.926.9-33.4000112.8F18 L88 Y92 I97F18-P90 HydrophobicContact CD1-CB 4.23Å; F18-P90 HydrophobicContact CD2-CB 3.93Å; F18-P90 HydrophobicContact CE1-CB 3.94Å; F18-P90 HydrophobicContact CE2-CB 3.62Å; F18-P90 HydrophobicContact CE2-CG 4.21Å; F18-P90 HydrophobicContact CG-CB 4.2Å; F18-P90 HydrophobicContact CZ-CB 3.6Å; L88-P90 VanDerWaalsContact C-CD 3.42Å; L88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-Y92 PolarHBondContact O-N 2.91Å; P90-I97 HydrophobicContact CG-CD1 3.84Å; P90-I97 HydrophobicContact CG-CG1 3.91Å
91P84.8Confident88.8Confident73 Ų7350.6 Ų50.647%0.47424%0.241SC..SBendtrans-68.2121.1173.427.3-33.6000111.7
92Y68.9Low88.9Confident204 Ų20453.2 Ų53.280%0.825%0.252SS*.SBendtrans56.7117.7-173.9-56.5-81.3000111.6P90 K94P90-Y92 PolarHBondContact O-N 2.91Å; Y92-K94 VanDerWaalsContact C-N 3.25Å; Y92-K94 WeakPolarHBondContact O-CG 3.46Å; Y92-K94 PolarHBondContact O-N 2.86Å
93A59.8Low88.9Confident24 Ų2450.8 Ų50.820%0.19824%0.244CC..  trans-59.281.1-163.300000114.1D121 V124A93-D121 HydrophobicContact CB-CB 3.94Å; A93-D121 WeakPolarHBondContact CB-OD2 3.36Å; A93-D121 PolarHBondContact N-OD2 3.02Å; A93-V124 HydrophobicContact CB-CB 4.49Å; A93-V124 HydrophobicContact CB-CG2 3.6Å
94K55.5Low88.9Confident144 Ų14450.8 Ų50.863%0.62624%0.244SC*.  trans-76.8128.2175.1-77.7-175.6179-171.90105.9Y92 E96Y92-K94 VanDerWaalsContact C-N 3.25Å; Y92-K94 WeakPolarHBondContact O-CG 3.46Å; Y92-K94 PolarHBondContact O-N 2.86Å; K94-E96 HydrophobicContact CB-CG 4.43Å; K94-E96 PolarHBondContact O-N 2.73Å
95Q65.6Low88.9Confident185 Ų18549.8 Ų49.886%0.86424%0.239SC*.THydrogen-bonded Turntrans-53.410.8176.7-62.2173-25.700115I97Q95-I97 VanDerWaalsContact C-N 3.35Å
96E88.2Confident88.8Confident70 Ų7056 Ų5633%0.32727%0.272SS..Hα-helixtrans-79.2-13.2177.2-63.7-76.8121.400112.6N70 K94 V98 K99 Q100N70-E96 PolarHBondContact ND2-OE2 3.01Å; K94-E96 HydrophobicContact CB-CG 4.43Å; K94-E96 PolarHBondContact O-N 2.73Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 3.1Å; E96-K99 CarbonylContact O-C 3.53Å; E96-K99 WeakPolarHBondContact O-CB 3.32Å; E96-K99 PolarHBondContact O-N 2.85Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-K99 IonicContact OE1-NZ 3.27Å; E96-K99 PolarHBondContact OE1-NZ 3.11Å; E96-K99 WeakPolarHBondContact OE2-CD 3.46Å; E96-K99 WeakPolarHBondContact OE2-CE 3.26Å; E96-K99 IonicContact OE2-NZ 3Å; E96-K99 PolarHBondContact OE2-NZ 3.46Å; E96-Q100 HydrophobicContact CB-CG 4.47Å; E96-Q100 WeakPolarHBondContact O-CB 3.11Å; E96-Q100 VanDerWaalsContact O-CG 3.22Å; E96-Q100 WeakPolarHBondContact O-CG 3.48Å; E96-Q100 PolarHBondContact O-N 3.49Å
97I94.3Very high88.7Confident4 Ų458.7 Ų58.72%0.02129%0.286CS..Hα-helixtrans-54.6-49.3179.4-72.4177.7000111.2L88 P90 Q95 K99 Q100 I101 C118 T120 L126L88-I97 HydrophobicContact CD1-CG2 4.34Å; P90-I97 HydrophobicContact CG-CD1 3.84Å; P90-I97 HydrophobicContact CG-CG1 3.91Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.86Å; I97-Q100 PolarHBondContact O-N 2.87Å; I97-Q100 VanDerWaalsContact O-N 3.16Å; I97-I101 HydrophobicContact CG2-CD1 3.83Å; I97-I101 HydrophobicContact CG2-CG1 4.47Å; I97-I101 WeakPolarHBondContact O-CG1 3.5Å; I97-I101 PolarHBondContact O-N 2.82Å; I97-C118 HydrophobicContact CD1-CB 4.3Å; I97-C118 HydrophobicContact CG2-CB 4.13Å; I97-T120 HydrophobicContact CD1-CG2 3.38Å; I97-L126 HydrophobicContact CB-CD2 4.22Å; I97-L126 HydrophobicContact CG2-CD1 3.96Å; I97-L126 HydrophobicContact CG2-CD2 3.99Å
98V95.1Very high88.7Confident34 Ų3465.3 Ų65.321%0.20632%0.317CS..Hα-helixtrans-58.2-49.2178.6179.70000110.2E96 Q100 I101 E102 L126 P127 I130E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 3.1Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 2.83Å; V98-I101 PolarHBondContact O-N 2.92Å; V98-E102 WeakPolarHBondContact O-CG 3.37Å; V98-E102 PolarHBondContact O-N 2.72Å; V98-L126 HydrophobicContact CG2-CD2 4.03Å; V98-P127 HydrophobicContact CG1-CG 4.49Å; V98-P127 HydrophobicContact CG2-CG 4.08Å; V98-I130 HydrophobicContact CB-CD1 4.49Å; V98-I130 HydrophobicContact CG1-CD1 4.29Å; V98-I130 HydrophobicContact CG1-CG1 4.46Å; V98-I130 HydrophobicContact CG1-CG2 4.27Å; V98-I130 HydrophobicContact CG2-CD1 4.21Å
99K95.1Very high88.8Confident87 Ų8765.2 Ų65.238%0.37832%0.317SS..Hα-helixtrans-61-36.6177.2175.2-179.5165-162.40113.3E96 I97 E102 M103E96-K99 CarbonylContact O-C 3.53Å; E96-K99 WeakPolarHBondContact O-CB 3.32Å; E96-K99 PolarHBondContact O-N 2.85Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-K99 IonicContact OE1-NZ 3.27Å; E96-K99 PolarHBondContact OE1-NZ 3.11Å; E96-K99 WeakPolarHBondContact OE2-CD 3.46Å; E96-K99 WeakPolarHBondContact OE2-CE 3.26Å; E96-K99 IonicContact OE2-NZ 3Å; E96-K99 PolarHBondContact OE2-NZ 3.46Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.86Å; K99-E102 PolarHBondContact O-N 2.81Å; K99-M103 HydrophobicContact CG-SD 4.41Å; K99-M103 WeakPolarHBondContact O-CB 3.26Å; K99-M103 WeakPolarHBondContact O-CG 3.44Å; K99-M103 PolarHBondContact O-N 3.17Å
100Q96.4Very high89.1Confident5 Ų563 Ų632%0.02331%0.305CS..Hα-helixtrans-71.2-38.9178.5-74.6174.9-29.400111.1F18 N70 I73 L88 E96 I97 V98 M103 L104F18-Q100 VanDerWaalsContact CZ-NE2 3.27Å; N70-Q100 WeakPolarHBondContact OD1-CG 3.47Å; N70-Q100 PolarHBondContact OD1-NE2 3.45Å; I73-Q100 HydrophobicContact CD1-CB 4.1Å; I73-Q100 HydrophobicContact CD1-CG 4.18Å; L88-Q100 HydrophobicContact CD2-CB 4.33Å; E96-Q100 HydrophobicContact CB-CG 4.47Å; E96-Q100 WeakPolarHBondContact O-CB 3.11Å; E96-Q100 VanDerWaalsContact O-CG 3.22Å; E96-Q100 WeakPolarHBondContact O-CG 3.48Å; E96-Q100 PolarHBondContact O-N 3.49Å; I97-Q100 PolarHBondContact O-N 2.87Å; I97-Q100 VanDerWaalsContact O-N 3.16Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 2.83Å; Q100-M103 PolarHBondContact O-N 3.39Å; Q100-L104 VanDerWaalsContact O-CG 3.26Å; Q100-L104 WeakPolarHBondContact O-CG 3.36Å; Q100-L104 PolarHBondContact O-N 3.46Å
101I97.2Very high89.4Confident0 Ų063.7 Ų63.70%031%0.309CS..Hα-helixtrans-62.6-46.6171.6-67.5171.4000110.2L88 I97 V98 M103 L104 L105 V116 I130 L133L88-I101 HydrophobicContact CD1-CD1 4.19Å; L88-I101 HydrophobicContact CD1-CG1 3.78Å; I97-I101 HydrophobicContact CG2-CD1 3.83Å; I97-I101 HydrophobicContact CG2-CG1 4.47Å; I97-I101 WeakPolarHBondContact O-CG1 3.5Å; I97-I101 PolarHBondContact O-N 2.82Å; V98-I101 PolarHBondContact O-N 2.92Å; I101-M103 VanDerWaalsContact C-N 3.33Å; I101-M103 PolarHBondContact O-N 2.8Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 PolarHBondContact O-N 3.15Å; I101-L104 VanDerWaalsContact O-N 3.14Å; I101-L105 HydrophobicContact CG2-CD1 3.95Å; I101-L105 HydrophobicContact CG2-CG 4.5Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 3.12Å; I101-V116 HydrophobicContact CD1-CG1 4.09Å; I101-V116 HydrophobicContact CG1-CG1 4.15Å; I101-I130 HydrophobicContact CB-CD1 4.41Å; I101-I130 HydrophobicContact CB-CG2 4.11Å; I101-I130 HydrophobicContact CD1-CD1 3.67Å; I101-I130 HydrophobicContact CG2-CB 3.99Å; I101-I130 HydrophobicContact CG2-CD1 4.31Å; I101-I130 HydrophobicContact CG2-CG2 3.58Å; I101-L133 HydrophobicContact CG2-CD1 3.44Å; I101-L133 VanDerWaalsContact CG2-CD1 3.44Å
102E97.4Very high89.9Confident92 Ų9265 Ų6543%0.4331%0.312SS..Hα-helixtrans-57.3-45.7173.8-71170.8158.700111.2V98 K99 L104 L105 D106 I130V98-E102 WeakPolarHBondContact O-CG 3.37Å; V98-E102 PolarHBondContact O-N 2.72Å; K99-E102 PolarHBondContact O-N 2.81Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.1Å; E102-L105 PolarHBondContact O-N 2.74Å; E102-D106 VanDerWaalsContact O-CB 3.32Å; E102-D106 WeakPolarHBondContact O-CB 3.25Å; E102-D106 PolarHBondContact O-N 2.85Å; E102-I130 HydrophobicContact CG-CG2 3.86Å
103M97.7Very high91.1Very high25 Ų2562.6 Ų62.612%0.12331%0.308CS..Hα-helixtrans-61.6-38.8175.5-72.2176.460.500112.7N70 I73 K74 K99 Q100 I101 N107N70-M103 HydrophobicContact CB-CE 4.1Å; N70-M103 HydrophobicContact CB-SD 4.34Å; N70-M103 WeakPolarHBondContact O-CE 3.34Å; I73-M103 HydrophobicContact CB-CE 4.1Å; I73-M103 HydrophobicContact CD1-CB 4.35Å; I73-M103 HydrophobicContact CD1-CE 4.44Å; I73-M103 HydrophobicContact CG2-CB 3.87Å; I73-M103 HydrophobicContact CG2-CE 4.05Å; K74-M103 HydrophobicContact CG-CE 4.07Å; K99-M103 HydrophobicContact CG-SD 4.41Å; K99-M103 WeakPolarHBondContact O-CB 3.26Å; K99-M103 WeakPolarHBondContact O-CG 3.44Å; K99-M103 PolarHBondContact O-N 3.17Å; Q100-M103 PolarHBondContact O-N 3.39Å; I101-M103 VanDerWaalsContact C-N 3.33Å; I101-M103 PolarHBondContact O-N 2.8Å; M103-N107 WeakPolarHBondContact O-CB 3.29Å; M103-N107 PolarHBondContact O-N 3.32Å; M103-N107 VanDerWaalsContact O-N 3.1Å; M103-N107 PolarHBondContact O-ND2 3.5Å
104L98.3Very high92.9Very high0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-64.9-41.7176.6-72.4163.2000111.3L15 L17 I73 V86 Q100 I101 E102 E108 L109 L110L15-L104 HydrophobicContact CD2-CD2 3.71Å; L17-L104 HydrophobicContact CD1-CD1 4.16Å; I73-L104 HydrophobicContact CD1-CD2 4.45Å; I73-L104 HydrophobicContact CD1-CG 4.24Å; I73-L104 HydrophobicContact CG1-CD2 4.09Å; I73-L104 HydrophobicContact CG1-CG 4.42Å; I73-L104 HydrophobicContact CG2-CD2 4.21Å; I73-L104 HydrophobicContact CG2-CG 4.48Å; V86-L104 HydrophobicContact CG1-CD1 3.8Å; V86-L104 HydrophobicContact CG2-CD1 4.42Å; Q100-L104 VanDerWaalsContact O-CG 3.26Å; Q100-L104 WeakPolarHBondContact O-CG 3.36Å; Q100-L104 PolarHBondContact O-N 3.46Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 PolarHBondContact O-N 3.15Å; I101-L104 VanDerWaalsContact O-N 3.14Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.1Å; L104-E108 PolarHBondContact O-N 2.93Å; L104-L109 HydrophobicContact CD2-CB 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.91Å; L104-L109 PolarHBondContact O-N 3.3Å; L104-L110 HydrophobicContact CB-CD1 4.32Å; L104-L110 HydrophobicContact CB-CD2 4.17Å; L104-L110 HydrophobicContact CB-CG 4.15Å; L104-L110 HydrophobicContact CD1-CD2 4.5Å
105L97.6Very high94.9Very high21 Ų2156 Ų5611%0.1128%0.276CS..Hα-helixtrans-67.2-47.4176.8-69.1166.4000111.8I101 E102 N107 E108 L110 I130 Q132 L133 W151I101-L105 HydrophobicContact CG2-CD1 3.95Å; I101-L105 HydrophobicContact CG2-CG 4.5Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 3.12Å; E102-L105 PolarHBondContact O-N 2.74Å; L105-N107 PolarHBondContact O-N 3.1Å; L105-E108 WeakPolarHBondContact O-CA 3.43Å; L105-E108 PolarHBondContact O-N 3.35Å; L105-L110 HydrophobicContact CD2-CD1 3.81Å; L105-L110 HydrophobicContact CG-CD1 4.21Å; L105-I130 HydrophobicContact CD1-CG2 4.45Å; L105-I130 VanDerWaalsContact CD1-O 3.31Å; L105-I130 WeakPolarHBondContact CD1-O 3.07Å; L105-Q132 HydrophobicContact CD2-CB 4.37Å; L105-L133 HydrophobicContact CD1-CD1 4.29Å; L105-L133 HydrophobicContact CD2-CD1 4.31Å; L105-L133 HydrophobicContact CD2-CG 4.3Å; L105-L133 HydrophobicContact CG-CD1 4.44Å; L105-W151 HydrophobicContact CD2-CZ3 3.94Å
106D97Very high96.5Very high131 Ų13147.1 Ų47.170%0.70123%0.234SC*.Hα-helixtrans-63.5-28.9-179.4-73.1-14.4000112.8E102 E108E102-D106 VanDerWaalsContact O-CB 3.32Å; E102-D106 WeakPolarHBondContact O-CB 3.25Å; E102-D106 PolarHBondContact O-N 2.85Å; D106-E108 VanDerWaalsContact C-N 3.32Å
107N97.2Very high96.9Very high56 Ų5643.8 Ų43.830%0.29922%0.219SC..THydrogen-bonded Turntrans-94.911.6175.4-68.6-87.8000112.3A77 M103 L105 L109A77-N107 HydrophobicContact CB-CB 3.7Å; A77-N107 WeakPolarHBondContact CB-OD1 3.35Å; M103-N107 WeakPolarHBondContact O-CB 3.29Å; M103-N107 PolarHBondContact O-N 3.32Å; M103-N107 VanDerWaalsContact O-N 3.1Å; M103-N107 PolarHBondContact O-ND2 3.5Å; L105-N107 PolarHBondContact O-N 3.1Å; N107-L109 HydrophobicContact CB-CD1 3.98Å; N107-L109 HydrophobicContact CB-CG 3.99Å; N107-L109 PolarHBondContact O-N 3.43Å; N107-L109 VanDerWaalsContact O-N 3.11Å
108E96.7Very high96.9Very high140 Ų14043.6 Ų43.665%0.65422%0.218SC*.THydrogen-bonded Turntrans53.829.1179.2-58.2-179.4-174.100113.6R82 L104 L105 D106 L110R82-E108 WeakPolarHBondContact CD-O 3.37Å; R82-E108 PolarHBondContact NE-O 3.38Å; L104-E108 PolarHBondContact O-N 2.93Å; L105-E108 WeakPolarHBondContact O-CA 3.43Å; L105-E108 PolarHBondContact O-N 3.35Å; D106-E108 VanDerWaalsContact C-N 3.32Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.31Å
109L98.3Very high96.9Very high0 Ų044.4 Ų44.40%022%0.219CC..  trans-80.5-0.9-171.4-72.6170.8000114.6I73 L76 R82 F83 L104 N107I73-L109 HydrophobicContact CG2-CD1 3.82Å; I73-L109 WeakPolarHBondContact O-CD1 3.34Å; L76-L109 HydrophobicContact CB-CD1 4.06Å; L76-L109 HydrophobicContact CB-CD2 3.98Å; R82-L109 CarbonylContact C-O 3.59Å; R82-L109 WeakPolarHBondContact CA-O 3.41Å; F83-L109 HydrophobicContact CD2-CB 4.36Å; F83-L109 WeakPolarHBondContact CD2-O 3.48Å; F83-L109 PolarHBondContact N-O 3.24Å; L104-L109 HydrophobicContact CD2-CB 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.91Å; L104-L109 PolarHBondContact O-N 3.3Å; N107-L109 HydrophobicContact CB-CD1 3.98Å; N107-L109 HydrophobicContact CB-CG 3.99Å; N107-L109 PolarHBondContact O-N 3.43Å; N107-L109 VanDerWaalsContact O-N 3.11Å
110L98.3Very high96.7Very high14 Ų1440.5 Ų40.57%0.07320%0.203CC..EExtended strand (participates in β ladder)trans-108.1143.1-177.1-56-173.6000110.6F83 V86 L104 L105 E108 A114 V116 L133 W151F83-L110 HydrophobicContact CB-CD2 4.47Å; V86-L110 HydrophobicContact CG2-CD2 3.46Å; V86-L110 VanDerWaalsContact CG2-CD2 3.46Å; L104-L110 HydrophobicContact CB-CD1 4.32Å; L104-L110 HydrophobicContact CB-CD2 4.17Å; L104-L110 HydrophobicContact CB-CG 4.15Å; L104-L110 HydrophobicContact CD1-CD2 4.5Å; L105-L110 HydrophobicContact CD2-CD1 3.81Å; L105-L110 HydrophobicContact CG-CD1 4.21Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.31Å; L110-A114 HydrophobicContact CB-CB 3.86Å; L110-A114 HydrophobicContact CD2-CB 4.41Å; L110-A114 HydrophobicContact CG-CB 4.49Å; L110-V116 HydrophobicContact CD1-CG2 4.19Å; L110-L133 HydrophobicContact CD1-CD1 3.76Å; L110-L133 HydrophobicContact CD1-CD2 4.49Å; L110-L133 HydrophobicContact CD1-CG 4.42Å; L110-W151 HydrophobicContact CB-CZ3 4.22Å
111T97.5Very high96.5Very high28 Ų2843.6 Ų43.617%0.17222%0.219CC..EExtended strand (participates in β ladder)trans-75.7162.5165.768.30000110.1R82 F83 D84 Q113 A114R82-T111 HydrophobicContact CB-CG2 3.62Å; F83-T111 PolarHBondContact O-N 3.35Å; F83-T111 VanDerWaalsContact O-N 3.11Å; D84-T111 WeakPolarHBondContact OD1-CB 3.32Å; D84-T111 WeakPolarHBondContact OD1-CG2 3.21Å; D84-T111 PolarHBondContact OD1-OG1 3.16Å; T111-Q113 PolarHBondContact O-N 2.73Å; T111-Q113 VanDerWaalsContact O-N 3.08Å; T111-Q113 PolarHBondContact OG1-N 3.42Å; T111-A114 WeakPolarHBondContact O-CB 3.39Å; T111-A114 PolarHBondContact O-N 3.35Å; T111-A114 VanDerWaalsContact O-N 3.09Å; T111-A114 PolarHBondContact OG1-N 3.15Å
112N96.3Very high96.2Very high101 Ų10147.7 Ų47.754%0.5424%0.237SC..EExtended strand (participates in β ladder)trans-72.97.5173.969.2-19.7000113.9W151N112-W151 HydrophobicContact CB-CD2 4.22Å; N112-W151 HydrophobicContact CB-CG 4.28Å; N112-W151 HydrophobicContact CB-CZ2 4.42Å; N112-W151 WeakPolarHBondContact O-CB 3.22Å; N112-W151 VanDerWaalsContact O-CG 3.32Å
113Q94.6Very high95.9Very high153 Ų15349.6 Ų49.672%0.71525%0.25SS*.EExtended strand (participates in β ladder)trans-121.311172.7-61.4-179.428.700111.1T111 I115T111-Q113 PolarHBondContact O-N 2.73Å; T111-Q113 VanDerWaalsContact O-N 3.08Å; T111-Q113 PolarHBondContact OG1-N 3.42Å; Q113-I115 PolarHBondContact O-N 3.34Å
114A97.1Very high95.5Very high0 Ų050.2 Ų50.20%026%0.256CS..EExtended strand (participates in β ladder)trans-61.1134.6-174.500000111.8F83 D84 L110 T111 W151F83-A114 WeakPolarHBondContact O-CB 3.38Å; D84-A114 CarbonylContact O-C 3.57Å; D84-A114 WeakPolarHBondContact O-CA 3.33Å; L110-A114 HydrophobicContact CB-CB 3.86Å; L110-A114 HydrophobicContact CD2-CB 4.41Å; L110-A114 HydrophobicContact CG-CB 4.49Å; T111-A114 WeakPolarHBondContact O-CB 3.39Å; T111-A114 PolarHBondContact O-N 3.35Å; T111-A114 VanDerWaalsContact O-N 3.09Å; T111-A114 PolarHBondContact OG1-N 3.15Å; A114-W151 PolarHBondContact O-N 3.12Å
115I97.7Very high95.2Very high29 Ų2956.5 Ų56.515%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-104.8123.1167.8-57.3174.3000107.6I5 D84 L85 V86 Q113 V117 I148 Y149I5-I115 HydrophobicContact CB-CD1 4.46Å; I5-I115 HydrophobicContact CB-CG2 4.18Å; I5-I115 HydrophobicContact CG2-CG2 3.89Å; D84-I115 PolarHBondContact O-N 3.26Å; L85-I115 CarbonylContact C-O 3.57Å; L85-I115 WeakPolarHBondContact CA-O 3.22Å; L85-I115 HydrophobicContact CD1-CB 4.28Å; L85-I115 HydrophobicContact CD1-CG2 4.43Å; V86-I115 PolarHBondContact N-O 3.17Å; Q113-I115 PolarHBondContact O-N 3.34Å; I115-V117 HydrophobicContact CG2-CG2 4.11Å; I115-I148 HydrophobicContact CG2-CG2 3.63Å; I115-Y149 CarbonylContact C-O 3.58Å; I115-Y149 WeakPolarHBondContact CA-O 3.46Å
116V97.8Very high95Very high0 Ų056.1 Ų56.10%029%0.286CS..EExtended strand (participates in β ladder)trans-108.8123.6174.9-176.60000109.3V86 L88 I101 L110 L133 I148 Y149V86-V116 HydrophobicContact CB-CB 4.48Å; V86-V116 HydrophobicContact CB-CG1 4.21Å; V86-V116 HydrophobicContact CB-CG2 4.11Å; V86-V116 HydrophobicContact CG1-CG1 4.38Å; V86-V116 HydrophobicContact CG2-CG2 4.44Å; V86-V116 WeakPolarHBondContact O-CA 3.46Å; L88-V116 HydrophobicContact CD1-CG1 3.8Å; I101-V116 HydrophobicContact CD1-CG1 4.09Å; I101-V116 HydrophobicContact CG1-CG1 4.15Å; L110-V116 HydrophobicContact CD1-CG2 4.19Å; V116-L133 HydrophobicContact CB-CD1 4.38Å; V116-L133 HydrophobicContact CG2-CD1 3.64Å; V116-L133 HydrophobicContact CG2-CD2 4.14Å; V116-I148 CarbonylContact O-C 3.6Å; V116-I148 WeakPolarHBondContact O-CA 3.39Å; V116-Y149 PolarHBondContact N-O 3.45Å; V116-Y149 PolarHBondContact O-N 2.9Å
117V97Very high94.9Very high0 Ų052.7 Ų52.70%027%0.27CS..EExtended strand (participates in β ladder)trans-114121.6-179.9-168.70000109.6M1 I5 L85 V86 L87 L88 I115 V146 I148M1-V117 HydrophobicContact CE-CB 3.95Å; M1-V117 HydrophobicContact CE-CG1 3.59Å; M1-V117 HydrophobicContact CG-CG1 3.82Å; M1-V117 HydrophobicContact SD-CG1 3.72Å; I5-V117 HydrophobicContact CD1-CG2 3.98Å; I5-V117 HydrophobicContact CG2-CG2 3.74Å; L85-V117 HydrophobicContact CD1-CG2 4.14Å; V86-V117 PolarHBondContact O-N 3.38Å; L87-V117 HydrophobicContact CD2-CB 4.15Å; L87-V117 HydrophobicContact CD2-CG2 4.23Å; L88-V117 PolarHBondContact N-O 3.5Å; I115-V117 HydrophobicContact CG2-CG2 4.11Å; V117-V146 HydrophobicContact CG1-CG1 3.55Å; V117-I148 HydrophobicContact CG1-CG1 4.25Å; V117-I148 HydrophobicContact CG2-CG1 4.42Å
118C95.3Very high94.9Very high0 Ų057.3 Ų57.30%029%0.29CS..EExtended strand (participates in β ladder)trans-115.8120.2-178.4-54.90000109.5L88 I97 L126 V146 T147L88-C118 CarbonylContact O-C 3.39Å; L88-C118 WeakPolarHBondContact O-CA 3.48Å; I97-C118 HydrophobicContact CD1-CB 4.3Å; I97-C118 HydrophobicContact CG2-CB 4.13Å; C118-L126 HydrophobicContact CB-CD1 3.73Å; C118-V146 CarbonylContact O-C 3.48Å; C118-V146 WeakPolarHBondContact O-CA 3.47Å; C118-T147 PolarHBondContact N-O 3.26Å; C118-T147 PolarHBondContact O-N 2.73Å
119E93.6Very high94.9Very high50 Ų5055.8 Ų55.823%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-95.5130.3166-172.2161.1153.700109.6L88 D89 A145 V146L88-E119 PolarHBondContact O-N 3.38Å; D89-E119 HydrophobicContact CB-CB 4.27Å; E119-A145 WeakPolarHBondContact CA-O 3.36Å; E119-V146 HydrophobicContact CG-CG2 4.42Å
120T92.7Very high94.8Very high5 Ų556.1 Ų56.13%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-138.3168-179.566.20000111.2I97 V124 L126 T144 A145I97-T120 HydrophobicContact CD1-CG2 3.38Å; T120-V124 HydrophobicContact CG2-CB 4.45Å; T120-V124 HydrophobicContact CG2-CG1 4.1Å; T120-L126 HydrophobicContact CG2-CD1 4.21Å; T120-L126 HydrophobicContact CG2-CG 4.49Å; T120-T144 CarbonylContact O-C 3.56Å; T120-T144 WeakPolarHBondContact O-CA 3.22Å; T120-T144 VanDerWaalsContact O-CB 3.26Å; T120-T144 WeakPolarHBondContact O-CB 3.42Å; T120-A145 PolarHBondContact N-O 3.27Å; T120-A145 PolarHBondContact O-N 3.32Å
121D91.5Very high94.7Very high70 Ų7057.8 Ų57.837%0.37430%0.304SS..EExtended strand (participates in β ladder)trans-55.9143.6158-69.9-63.4000109.4A93 D123 V124A93-D121 HydrophobicContact CB-CB 3.94Å; A93-D121 WeakPolarHBondContact CB-OD2 3.36Å; A93-D121 PolarHBondContact N-OD2 3.02Å; D121-D123 PolarHBondContact O-N 2.94Å; D121-D123 VanDerWaalsContact O-N 3.1Å; D121-V124 HydrophobicContact CB-CG2 4.23Å; D121-V124 WeakPolarHBondContact O-CB 3.44Å; D121-V124 PolarHBondContact O-N 3.16Å
122K90.2Very high94.7Very high87 Ų8760.5 Ų60.538%0.37832%0.315SS..THydrogen-bonded Turntrans-60.8-23.5-17668.6175.1176.9-175.90114.2V124 R138 G142 I143K122-V124 VanDerWaalsContact C-N 3.32Å; K122-R138 PolarHBondContact O-NH2 2.93Å; K122-G142 WeakPolarHBondContact CD-O 3.47Å; K122-I143 WeakPolarHBondContact CB-O 3.41Å; K122-I143 PolarHBondContact N-O 2.84Å
123D90.5Very high94.8Very high131 Ų13155.7 Ų55.770%0.70129%0.289SS*.THydrogen-bonded Turntrans-86.9-7.6-178.5-60.6-45.4000111.8D121D121-D123 PolarHBondContact O-N 2.94Å; D121-D123 VanDerWaalsContact O-N 3.1Å
124V90.6Very high95Very high39 Ų3953.1 Ų53.124%0.23628%0.275CS..  trans-79.4122.4173.2173.20000109.6A93 T120 D121 K122 L126 R138A93-V124 HydrophobicContact CB-CB 4.49Å; A93-V124 HydrophobicContact CB-CG2 3.6Å; T120-V124 HydrophobicContact CG2-CB 4.45Å; T120-V124 HydrophobicContact CG2-CG1 4.1Å; D121-V124 HydrophobicContact CB-CG2 4.23Å; D121-V124 WeakPolarHBondContact O-CB 3.44Å; D121-V124 PolarHBondContact O-N 3.16Å; K122-V124 VanDerWaalsContact C-N 3.32Å; V124-L126 HydrophobicContact CG1-CD2 4.11Å; V124-L126 HydrophobicContact CG1-CG 4.46Å; V124-R138 VanDerWaalsContact O-CZ 3.32Å; V124-R138 PolarHBondContact O-NH1 3.34Å; V124-R138 PolarHBondContact O-NH2 2.68Å
125I91.1Very high95Very high131 Ų13155.7 Ų55.767%0.67229%0.287SS*.  trans-105.9110.8175.9-51.2-55.4000108
126L94Very high94.9Very high13 Ų1359.2 Ų59.27%0.06830%0.299CS..  trans-82.3153172.4-60.4176.3000109.8I97 V98 C118 T120 V124 T147 Y149I97-L126 HydrophobicContact CB-CD2 4.22Å; I97-L126 HydrophobicContact CG2-CD1 3.96Å; I97-L126 HydrophobicContact CG2-CD2 3.99Å; V98-L126 HydrophobicContact CG2-CD2 4.03Å; C118-L126 HydrophobicContact CB-CD1 3.73Å; T120-L126 HydrophobicContact CG2-CD1 4.21Å; T120-L126 HydrophobicContact CG2-CG 4.49Å; V124-L126 HydrophobicContact CG1-CD2 4.11Å; V124-L126 HydrophobicContact CG1-CG 4.46Å; L126-T147 HydrophobicContact CD1-CG2 4.49Å; L126-Y149 WeakPolarHBondContact CB-OH 3.48Å; L126-Y149 HydrophobicContact CD1-CE2 4.17Å
127P95.5Very high94.8Very high59 Ų5963.9 Ų63.938%0.38332%0.319SS..  trans-60.5144.7174.3-21.933.3000111.7V98 K129 I130 Y149V98-P127 HydrophobicContact CG1-CG 4.49Å; V98-P127 HydrophobicContact CG2-CG 4.08Å; P127-K129 WeakPolarHBondContact CB-O 3.42Å; P127-K129 PolarHBondContact O-N 3.07Å; P127-I130 HydrophobicContact CB-CG1 4.19Å; P127-I130 HydrophobicContact CG-CG1 4.35Å; P127-Y149 VanDerWaalsContact O-CE1 3.27Å; P127-Y149 WeakPolarHBondContact O-CE1 3.25Å; P127-Y149 PolarHBondContact O-OH 2.88Å
128Q96.6Very high94.7Very high154 Ų15466.6 Ų66.672%0.7233%0.329SS*.SBendtrans-65.3-19.8174.9-71.9-176.2-11.800113.3K134 E135Q128-K134 WeakPolarHBondContact O-CA 3.44Å; Q128-E135 PolarHBondContact O-N 2.94Å
129K97.3Very high94.7Very high107 Ų10770.2 Ų70.247%0.46535%0.346SS..EExtended strand (participates in β ladder)trans-140.2134.8177.5-173.4162.7-172.9151.90110.3P127 G131 L133 E152P127-K129 WeakPolarHBondContact CB-O 3.42Å; P127-K129 PolarHBondContact O-N 3.07Å; K129-G131 WeakPolarHBondContact CE-O 3.44Å; K129-L133 CarbonylContact C-O 3.6Å; K129-L133 VanDerWaalsContact CA-O 3.3Å; K129-L133 WeakPolarHBondContact CA-O 3.32Å; K129-L133 WeakPolarHBondContact CG-O 3.42Å; K129-E152 IonicContact NZ-OE2 2.94Å; K129-E152 PolarHBondContact NZ-OE2 3.35Å
130I96.6Very high94.8Very high7 Ų772.4 Ų72.44%0.03636%0.359CS..EExtended strand (participates in β ladder)trans-135.3102.9175.6-51.9170.5000106.6V98 I101 E102 L105 P127 Q132 L133 Y149V98-I130 HydrophobicContact CB-CD1 4.49Å; V98-I130 HydrophobicContact CG1-CD1 4.29Å; V98-I130 HydrophobicContact CG1-CG1 4.46Å; V98-I130 HydrophobicContact CG1-CG2 4.27Å; V98-I130 HydrophobicContact CG2-CD1 4.21Å; I101-I130 HydrophobicContact CB-CD1 4.41Å; I101-I130 HydrophobicContact CB-CG2 4.11Å; I101-I130 HydrophobicContact CD1-CD1 3.67Å; I101-I130 HydrophobicContact CG2-CB 3.99Å; I101-I130 HydrophobicContact CG2-CD1 4.31Å; I101-I130 HydrophobicContact CG2-CG2 3.58Å; E102-I130 HydrophobicContact CG-CG2 3.86Å; L105-I130 HydrophobicContact CD1-CG2 4.45Å; L105-I130 VanDerWaalsContact CD1-O 3.31Å; L105-I130 WeakPolarHBondContact CD1-O 3.07Å; P127-I130 HydrophobicContact CB-CG1 4.19Å; P127-I130 HydrophobicContact CG-CG1 4.35Å; I130-Q132 PolarHBondContact O-N 3.19Å; I130-L133 PolarHBondContact N-O 3.01Å; I130-L133 WeakPolarHBondContact O-CB 3.17Å; I130-L133 PolarHBondContact O-N 2.86Å; I130-Y149 HydrophobicContact CD1-CE1 4.19Å; I130-Y149 HydrophobicContact CG1-CE1 4.36Å
131G96.1Very high94.6Very high49 Ų4976.8 Ų76.851%0.50538%0.376SS..THydrogen-bonded Turntrans53.6-124.5-171.100000112.6K129 L133K129-G131 WeakPolarHBondContact CE-O 3.44Å; G131-L133 PolarHBondContact O-N 3.22Å
132Q97.4Very high94.5Very high86 Ų8676.7 Ų76.740%0.40239%0.392SS..THydrogen-bonded Turntrans-80.63.8178.3-66.579.5-1.600113.6L105 I130 W151 E152L105-Q132 HydrophobicContact CD2-CB 4.37Å; I130-Q132 PolarHBondContact O-N 3.19Å; Q132-W151 HydrophobicContact CB-CD2 3.94Å; Q132-W151 HydrophobicContact CB-CE3 4Å; Q132-W151 HydrophobicContact CB-CH2 3.76Å; Q132-W151 HydrophobicContact CB-CZ2 3.69Å; Q132-W151 HydrophobicContact CB-CZ3 3.92Å; Q132-W151 HydrophobicContact CG-CH2 3.87Å; Q132-W151 HydrophobicContact CG-CZ2 3.68Å; Q132-W151 HydrophobicContact CG-CZ3 4.5Å; Q132-W151 CarbonylContact O-C 3.45Å; Q132-W151 WeakPolarHBondContact O-CA 3.49Å; Q132-E152 PolarHBondContact O-N 3.3Å
133L98.1Very high94.6Very high0 Ų078.5 Ų78.50%040%0.404CS..EExtended strand (participates in β ladder)trans-104.8132.1-179.6-68.6169.6000110.8I101 L105 L110 V116 K129 I130 G131 Y149 D150I101-L133 HydrophobicContact CG2-CD1 3.44Å; I101-L133 VanDerWaalsContact CG2-CD1 3.44Å; L105-L133 HydrophobicContact CD1-CD1 4.29Å; L105-L133 HydrophobicContact CD2-CD1 4.31Å; L105-L133 HydrophobicContact CD2-CG 4.3Å; L105-L133 HydrophobicContact CG-CD1 4.44Å; L110-L133 HydrophobicContact CD1-CD1 3.76Å; L110-L133 HydrophobicContact CD1-CD2 4.49Å; L110-L133 HydrophobicContact CD1-CG 4.42Å; V116-L133 HydrophobicContact CB-CD1 4.38Å; V116-L133 HydrophobicContact CG2-CD1 3.64Å; V116-L133 HydrophobicContact CG2-CD2 4.14Å; K129-L133 CarbonylContact C-O 3.6Å; K129-L133 VanDerWaalsContact CA-O 3.3Å; K129-L133 WeakPolarHBondContact CA-O 3.32Å; K129-L133 WeakPolarHBondContact CG-O 3.42Å; I130-L133 PolarHBondContact N-O 3.01Å; I130-L133 WeakPolarHBondContact O-CB 3.17Å; I130-L133 PolarHBondContact O-N 2.86Å; G131-L133 PolarHBondContact O-N 3.22Å; L133-Y149 HydrophobicContact CB-CD1 4.25Å; L133-Y149 HydrophobicContact CB-CG 4.44Å; L133-D150 WeakPolarHBondContact CA-O 3.21Å
134K98.2Very high94.6Very high99 Ų9973.8 Ų73.843%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-120.5138.3175.4-177.8175.9179.5-176.20111.1Q128 R136 Y149 D150 E152Q128-K134 WeakPolarHBondContact O-CA 3.44Å; K134-R136 PolarHBondContact O-N 3.26Å; K134-Y149 VanDerWaalsContact C-CD1 3.44Å; K134-Y149 VanDerWaalsContact O-CA 3.26Å; K134-Y149 WeakPolarHBondContact O-CA 3.41Å; K134-D150 PolarHBondContact N-O 3.11Å; K134-D150 PolarHBondContact O-N 2.89Å; K134-E152 HydrophobicContact CB-CB 4.03Å; K134-E152 HydrophobicContact CD-CG 4.48Å; K134-E152 WeakPolarHBondContact CD-OE1 3.5Å; K134-E152 WeakPolarHBondContact CD-OE2 3.41Å; K134-E152 WeakPolarHBondContact CE-OE1 3.43Å; K134-E152 IonicContact NZ-OE1 2.62Å; K134-E152 PolarHBondContact NZ-OE1 2.88Å
135E97.6Very high94.8Very high53 Ų5372 Ų7225%0.24837%0.369CS..EExtended strand (participates in β ladder)trans-58114.5174.3-176.7-173.4148.100109Q128 R138 T147 Y149Q128-E135 PolarHBondContact O-N 2.94Å; E135-R138 WeakPolarHBondContact OE1-CB 3.31Å; E135-T147 HydrophobicContact CG-CG2 3.82Å; E135-Y149 HydrophobicContact CB-CD1 4.24Å; E135-Y149 HydrophobicContact CB-CE1 3.92Å; E135-Y149 VanDerWaalsContact N-CD1 3.28Å
136R96Very high94.9Very high104 Ų10465.8 Ų65.839%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-80.3-44.5168.7170.3169.149.8117.8-7.7110.3M4 K134 I148 D150M4-R136 PolarHBondContact O-NH1 2.93Å; K134-R136 PolarHBondContact O-N 3.26Å; R136-I148 PolarHBondContact N-O 2.92Å; R136-I148 VanDerWaalsContact NH2-CG2 3.28Å; R136-D150 WeakPolarHBondContact CD-OD2 3.26Å; R136-D150 IonicContact CZ-OD1 3.8Å; R136-D150 IonicContact CZ-OD2 3.11Å; R136-D150 VanDerWaalsContact NE-CG 3.3Å; R136-D150 IonicContact NE-OD1 2.73Å; R136-D150 PolarHBondContact NE-OD1 2.59Å; R136-D150 IonicContact NE-OD2 3.99Å; R136-D150 PolarHBondContact NE-OD2 2.71Å; R136-D150 IonicContact NH2-OD1 3.41Å; R136-D150 PolarHBondContact NH2-OD1 3.32Å
137K95.6Very high95Very high98 Ų9865.2 Ų65.243%0.42634%0.335SS..EExtended strand (participates in β ladder)trans-160.6142-172.7-173.4171.7-178.3176.20112.4I148K137-I148 PolarHBondContact N-O 3.02Å; K137-I148 PolarHBondContact O-N 3.21Å
138R95.2Very high95.1Very high56 Ų5662.4 Ų62.421%0.21132%0.317CS..EExtended strand (participates in β ladder)trans-112.5143.2161.1-176-175.9178.3118.6-3.1111.1K122 V124 E135 D140 V146K122-R138 PolarHBondContact O-NH2 2.93Å; V124-R138 VanDerWaalsContact O-CZ 3.32Å; V124-R138 PolarHBondContact O-NH1 3.34Å; V124-R138 PolarHBondContact O-NH2 2.68Å; E135-R138 WeakPolarHBondContact OE1-CB 3.31Å; R138-D140 IonicContact CZ-OD1 2.69Å; R138-D140 IonicContact NE-OD1 2.76Å; R138-D140 PolarHBondContact NE-OD1 3.44Å; R138-D140 VanDerWaalsContact NE-OD1 3.11Å; R138-V146 CarbonylContact C-O 3.54Å; R138-V146 WeakPolarHBondContact CA-O 3.49Å
139H95.5Very high95.2Very high77 Ų7755.1 Ų55.136%0.35628%0.282SS..EExtended strand (participates in β ladder)trans-138.5126.2171.3-165.486.4000111M4 Y141 A145 V146M4-H139 HydrophobicContact SD-CB 4.02Å; H139-Y141 HydrophobicContact CB-CE2 4.16Å; H139-Y141 AromaticContact CD2-CD1 3.78Å; H139-Y141 AromaticContact CD2-CD2 3.83Å; H139-Y141 AromaticContact CD2-CE1 3.31Å; H139-Y141 WeakPolarHBondContact CD2-CE1 3.48Å; H139-Y141 AromaticContact CD2-CE2 3.39Å; H139-Y141 WeakPolarHBondContact CD2-CE2 3.38Å; H139-Y141 AromaticContact CD2-CZ 3.11Å; H139-Y141 PolarHBondContact CD2-OH 3.13Å; H139-Y141 AromaticContact CG-CZ 3.99Å; H139-Y141 AromaticContact NE2-CE1 3.54Å; H139-Y141 AromaticContact NE2-CZ 3.76Å; H139-A145 WeakPolarHBondContact O-CA 3.39Å; H139-V146 PolarHBondContact N-O 3.26Å; H139-V146 PolarHBondContact O-N 3.41Å
140D94.1Very high95.2Very high96 Ų9652.3 Ų52.351%0.51327%0.273SS..EExtended strand (participates in β ladder)trans-90.6131.8-178.8-61.2-13.6000110.7R138 A145R138-D140 IonicContact CZ-OD1 2.69Å; R138-D140 IonicContact NE-OD1 2.76Å; R138-D140 PolarHBondContact NE-OD1 3.44Å; R138-D140 VanDerWaalsContact NE-OD1 3.11Å; D140-A145 WeakPolarHBondContact OD1-CB 3.44Å
141Y89Confident95.2Very high96 Ų9655.2 Ų55.238%0.37628%0.283SS..EExtended strand (participates in β ladder)trans-124.887.8-179.8-68-74.5000110.9M4 H139 I143 T144 V146M4-Y141 HydrophobicContact CE-CE2 4.12Å; M4-Y141 HydrophobicContact SD-CE2 4.49Å; M4-Y141 PolarHBondContact SD-OH 3.34Å; M4-Y141 VanDerWaalsContact SD-OH 3.34Å; H139-Y141 HydrophobicContact CB-CE2 4.16Å; H139-Y141 AromaticContact CD2-CD1 3.78Å; H139-Y141 AromaticContact CD2-CD2 3.83Å; H139-Y141 AromaticContact CD2-CE1 3.31Å; H139-Y141 WeakPolarHBondContact CD2-CE1 3.48Å; H139-Y141 AromaticContact CD2-CE2 3.39Å; H139-Y141 WeakPolarHBondContact CD2-CE2 3.38Å; H139-Y141 AromaticContact CD2-CZ 3.11Å; H139-Y141 PolarHBondContact CD2-OH 3.13Å; H139-Y141 AromaticContact CG-CZ 3.99Å; H139-Y141 AromaticContact NE2-CE1 3.54Å; H139-Y141 AromaticContact NE2-CZ 3.76Å; Y141-I143 PolarHBondContact O-N 3.43Å; Y141-T144 CarbonylContact C-O 3.57Å; Y141-T144 PolarHBondContact N-O 2.62Å; Y141-T144 PolarHBondContact O-N 2.94Å; Y141-T144 PolarHBondContact O-OG1 3.07Å; Y141-V146 HydrophobicContact CD2-CB 4.46Å; Y141-V146 HydrophobicContact CD2-CG2 3.89Å; Y141-V146 HydrophobicContact CE2-CB 4.17Å; Y141-V146 HydrophobicContact CE2-CG2 3.83Å
142G90.1Very high95.1Very high69 Ų6955.9 Ų55.971%0.71127%0.273SS*.THydrogen-bonded Turntrans65.5-91.8174.700000113K122K122-G142 WeakPolarHBondContact CD-O 3.47Å
143I91.2Very high94.4Very high125 Ų12561 Ų6164%0.64130%0.303SS*.THydrogen-bonded Turntrans-107.6-12.8176.265.1168.5000113.5K122 Y141K122-I143 WeakPolarHBondContact CB-O 3.41Å; K122-I143 PolarHBondContact N-O 2.84Å; Y141-I143 PolarHBondContact O-N 3.43Å
144T91.8Very high94.2Very high32 Ų3264.1 Ų64.120%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-108165.7177.761.30000111.3T120 Y141T120-T144 CarbonylContact O-C 3.56Å; T120-T144 WeakPolarHBondContact O-CA 3.22Å; T120-T144 VanDerWaalsContact O-CB 3.26Å; T120-T144 WeakPolarHBondContact O-CB 3.42Å; Y141-T144 CarbonylContact C-O 3.57Å; Y141-T144 PolarHBondContact N-O 2.62Å; Y141-T144 PolarHBondContact O-N 2.94Å; Y141-T144 PolarHBondContact O-OG1 3.07Å
145A93.1Very high94Very high0 Ų062.2 Ų62.20%031%0.312CS..EExtended strand (participates in β ladder)trans-133142.4167.900000109.2E119 T120 H139 D140E119-A145 WeakPolarHBondContact CA-O 3.36Å; T120-A145 PolarHBondContact N-O 3.27Å; T120-A145 PolarHBondContact O-N 3.32Å; H139-A145 WeakPolarHBondContact O-CA 3.39Å; D140-A145 WeakPolarHBondContact OD1-CB 3.44Å
146V94.7Very high93.8Very high2 Ų262.7 Ų62.71%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-108.4119.7172.3177.80000108.2M1 M4 V117 C118 E119 R138 H139 Y141 I148M1-V146 HydrophobicContact CG-CG1 4.41Å; M4-V146 HydrophobicContact CE-CB 3.88Å; M4-V146 HydrophobicContact CE-CG1 3.53Å; M4-V146 HydrophobicContact CE-CG2 4.43Å; V117-V146 HydrophobicContact CG1-CG1 3.55Å; C118-V146 CarbonylContact O-C 3.48Å; C118-V146 WeakPolarHBondContact O-CA 3.47Å; E119-V146 HydrophobicContact CG-CG2 4.42Å; R138-V146 CarbonylContact C-O 3.54Å; R138-V146 WeakPolarHBondContact CA-O 3.49Å; H139-V146 PolarHBondContact N-O 3.26Å; H139-V146 PolarHBondContact O-N 3.41Å; Y141-V146 HydrophobicContact CD2-CB 4.46Å; Y141-V146 HydrophobicContact CD2-CG2 3.89Å; Y141-V146 HydrophobicContact CE2-CB 4.17Å; Y141-V146 HydrophobicContact CE2-CG2 3.83Å; V146-I148 HydrophobicContact CG1-CG1 4.27Å
147T95.8Very high93.7Very high0 Ų060.3 Ų60.30%031%0.312CS..EExtended strand (participates in β ladder)trans-109132.6174.3-50.30000108.7C118 L126 E135 Y149C118-T147 PolarHBondContact N-O 3.26Å; C118-T147 PolarHBondContact O-N 2.73Å; L126-T147 HydrophobicContact CD1-CG2 4.49Å; E135-T147 HydrophobicContact CG-CG2 3.82Å; T147-Y149 HydrophobicContact CG2-CD2 4.24Å; T147-Y149 HydrophobicContact CG2-CE2 3.5Å; T147-Y149 VanDerWaalsContact CG2-CE2 3.5Å
148I97.4Very high93.6Very high1 Ų157.9 Ų57.91%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-117.5129.6-179.8-56.9159.2000108.8M4 I5 I115 V116 V117 R136 K137 V146M4-I148 HydrophobicContact CB-CD1 3.7Å; M4-I148 HydrophobicContact CE-CD1 4.11Å; M4-I148 HydrophobicContact SD-CD1 4.48Å; I5-I148 HydrophobicContact CG2-CD1 3.63Å; I5-I148 HydrophobicContact CG2-CG1 3.94Å; I5-I148 HydrophobicContact CG2-CG2 3.92Å; I115-I148 HydrophobicContact CG2-CG2 3.63Å; V116-I148 CarbonylContact O-C 3.6Å; V116-I148 WeakPolarHBondContact O-CA 3.39Å; V117-I148 HydrophobicContact CG1-CG1 4.25Å; V117-I148 HydrophobicContact CG2-CG1 4.42Å; R136-I148 PolarHBondContact N-O 2.92Å; R136-I148 VanDerWaalsContact NH2-CG2 3.28Å; K137-I148 PolarHBondContact N-O 3.02Å; K137-I148 PolarHBondContact O-N 3.21Å; V146-I148 HydrophobicContact CG1-CG1 4.27Å
149Y98Very high93.4Very high0 Ų058.1 Ų58.10%031%0.311CS..EExtended strand (participates in β ladder)trans-112142.2172.4-61.8-98.6000110.4I115 V116 L126 P127 I130 L133 K134 E135 T147I115-Y149 CarbonylContact C-O 3.58Å; I115-Y149 WeakPolarHBondContact CA-O 3.46Å; V116-Y149 PolarHBondContact N-O 3.45Å; V116-Y149 PolarHBondContact O-N 2.9Å; L126-Y149 WeakPolarHBondContact CB-OH 3.48Å; L126-Y149 HydrophobicContact CD1-CE2 4.17Å; P127-Y149 VanDerWaalsContact O-CE1 3.27Å; P127-Y149 WeakPolarHBondContact O-CE1 3.25Å; P127-Y149 PolarHBondContact O-OH 2.88Å; I130-Y149 HydrophobicContact CD1-CE1 4.19Å; I130-Y149 HydrophobicContact CG1-CE1 4.36Å; L133-Y149 HydrophobicContact CB-CD1 4.25Å; L133-Y149 HydrophobicContact CB-CG 4.44Å; K134-Y149 VanDerWaalsContact C-CD1 3.44Å; K134-Y149 VanDerWaalsContact O-CA 3.26Å; K134-Y149 WeakPolarHBondContact O-CA 3.41Å; E135-Y149 HydrophobicContact CB-CD1 4.24Å; E135-Y149 HydrophobicContact CB-CE1 3.92Å; E135-Y149 VanDerWaalsContact N-CD1 3.28Å; T147-Y149 HydrophobicContact CG2-CD2 4.24Å; T147-Y149 HydrophobicContact CG2-CE2 3.5Å; T147-Y149 VanDerWaalsContact CG2-CE2 3.5Å
150D97.6Very high93.3Very high49 Ų4956.7 Ų56.726%0.26231%0.307SS..EExtended strand (participates in β ladder)trans-116.9158.8167.6-60.1-12.5000108.7L133 K134 R136L133-D150 WeakPolarHBondContact CA-O 3.21Å; K134-D150 PolarHBondContact N-O 3.11Å; K134-D150 PolarHBondContact O-N 2.89Å; R136-D150 WeakPolarHBondContact CD-OD2 3.26Å; R136-D150 IonicContact CZ-OD1 3.8Å; R136-D150 IonicContact CZ-OD2 3.11Å; R136-D150 VanDerWaalsContact NE-CG 3.3Å; R136-D150 IonicContact NE-OD1 2.73Å; R136-D150 PolarHBondContact NE-OD1 2.59Å; R136-D150 IonicContact NE-OD2 3.99Å; R136-D150 PolarHBondContact NE-OD2 2.71Å; R136-D150 IonicContact NH2-OD1 3.41Å; R136-D150 PolarHBondContact NH2-OD1 3.32Å
151W96.7Very high93.2Very high68 Ų6853.7 Ų53.726%0.25829%0.291SS..EExtended strand (participates in β ladder)trans-64.1133.3170.8-170-82.1000111.6L105 L110 N112 A114 Q132 D153L105-W151 HydrophobicContact CD2-CZ3 3.94Å; L110-W151 HydrophobicContact CB-CZ3 4.22Å; N112-W151 HydrophobicContact CB-CD2 4.22Å; N112-W151 HydrophobicContact CB-CG 4.28Å; N112-W151 HydrophobicContact CB-CZ2 4.42Å; N112-W151 WeakPolarHBondContact O-CB 3.22Å; N112-W151 VanDerWaalsContact O-CG 3.32Å; A114-W151 PolarHBondContact O-N 3.12Å; Q132-W151 HydrophobicContact CB-CD2 3.94Å; Q132-W151 HydrophobicContact CB-CE3 4Å; Q132-W151 HydrophobicContact CB-CH2 3.76Å; Q132-W151 HydrophobicContact CB-CZ2 3.69Å; Q132-W151 HydrophobicContact CB-CZ3 3.92Å; Q132-W151 HydrophobicContact CG-CH2 3.87Å; Q132-W151 HydrophobicContact CG-CZ2 3.68Å; Q132-W151 HydrophobicContact CG-CZ3 4.5Å; Q132-W151 CarbonylContact O-C 3.45Å; Q132-W151 WeakPolarHBondContact O-CA 3.49Å; W151-D153 PolarHBondContact NE1-OD1 3.3Å; W151-D153 VanDerWaalsContact NE1-OD1 3.11Å
152E93.4Very high93.6Very high62 Ų6250.2 Ų50.229%0.2928%0.284SS..  trans-130.2119.2174.9-175-172.4-116.400109.1K129 Q132 K134K129-E152 IonicContact NZ-OE2 2.94Å; K129-E152 PolarHBondContact NZ-OE2 3.35Å; Q132-E152 PolarHBondContact O-N 3.3Å; K134-E152 HydrophobicContact CB-CB 4.03Å; K134-E152 HydrophobicContact CD-CG 4.48Å; K134-E152 WeakPolarHBondContact CD-OE1 3.5Å; K134-E152 WeakPolarHBondContact CD-OE2 3.41Å; K134-E152 WeakPolarHBondContact CE-OE1 3.43Å; K134-E152 IonicContact NZ-OE1 2.62Å; K134-E152 PolarHBondContact NZ-OE1 2.88Å
153D83.5Confident93.9Very high194 Ų19448.5 Ų48.5100%1.03725%0.246SC*.  trans-63.40176.5-70.7-28.4000113.9W151W151-D153 PolarHBondContact NE1-OD1 3.3Å; W151-D153 VanDerWaalsContact NE1-OD1 3.11Å

Retrieved 153 of 153 residues in 150.9 ms (Link to these results)

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