A0A077ZD35_TRITR Loading...

N-alpha-acetyltransferase 20

Catalytic subunit of the NatB complex which catalyzes acetylation of the N-terminal methionine residues of peptides beginning with Met-Asp, Met-Glu, Met-Asn and Met-Gln. Proteins with cell cycle functions are overrepresented in the pool of NatB substrates. Required for maintaining the structure and function of actomyosin fibers and for proper cellular migration.

AlphaFold DB , UniProt , Accession A0A077ZD35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M84.5Confident94Very high166 Ų16664.9 Ų64.982%0.81837%0.365SS*.  0138.80-176.2172.8-17400107.5M49M1-M49 HydrophobicContact CB-CE 3.21Å; M1-M49 HydrophobicContact CB-CG 3.99Å; M1-M49 HydrophobicContact CB-SD 4.34Å; M1-M49 HydrophobicContact CG-CE 4.21Å; M1-M49 HydrophobicContact SD-CE 3.97Å
2T92.4Very high93.9Very high47 Ų4760.8 Ų60.829%0.28834%0.342SS..EExtended strand (participates in β ladder)trans-111.7128.1-179.1-57.20000108A46 M54T2-A46 HydrophobicContact CG2-CB 3.82Å; T2-M54 HydrophobicContact CG2-SD 3.94Å
3T95.5Very high93.6Very high74 Ų7469.1 Ų69.145%0.45437%0.372SS..EExtended strand (participates in β ladder)trans-106133.6173.8-58.90000108.3A46 E47T3-A46 WeakPolarHBondContact O-CA 3.29Å; T3-E47 PolarHBondContact N-O 3.01Å; T3-E47 PolarHBondContact O-N 3.24Å
4I96.7Very high93.5Very high49 Ų4972.1 Ų72.125%0.25138%0.38SS..EExtended strand (participates in β ladder)trans-102.8132.9172.1-64.8179.1000108.1L44 V45 L89 L90 Q93I4-L44 HydrophobicContact CG2-CB 4.21Å; I4-L44 HydrophobicContact CG2-CD1 4.18Å; I4-V45 WeakPolarHBondContact CA-O 3.11Å; I4-L89 HydrophobicContact CD1-CB 4.41Å; I4-L89 HydrophobicContact CD1-CD2 3.49Å; I4-L89 VanDerWaalsContact CD1-CD2 3.49Å; I4-L89 HydrophobicContact CD1-CG 3.5Å; I4-L89 VanDerWaalsContact CD1-CG 3.5Å; I4-L89 HydrophobicContact CG1-CD2 4.24Å; I4-L90 HydrophobicContact CD1-CD2 4Å; I4-L90 HydrophobicContact CG1-CD2 4.18Å; I4-L90 HydrophobicContact CG2-CD2 4.17Å; I4-Q93 HydrophobicContact CD1-CG 3.9Å
5R96Very high93.5Very high47 Ų4767.5 Ų67.518%0.17736%0.356CS..EExtended strand (participates in β ladder)trans-143.9164.3175.362.9168.1176.979.2-1.9110.8D11 L44 V45 E47R5-D11 IonicContact CZ-OD1 3.24Å; R5-D11 IonicContact CZ-OD2 2.82Å; R5-D11 IonicContact NH1-OD1 3.45Å; R5-D11 IonicContact NH1-OD2 3.99Å; R5-D11 PolarHBondContact NH1-OD2 3.05Å; R5-D11 IonicContact NH2-OD1 3.71Å; R5-D11 PolarHBondContact NH2-OD1 3.23Å; R5-D11 IonicContact NH2-OD2 2.69Å; R5-D11 PolarHBondContact NH2-OD2 2.87Å; R5-L44 WeakPolarHBondContact O-CA 3.29Å; R5-V45 HydrophobicContact CG-CG2 3.64Å; R5-V45 PolarHBondContact N-O 2.83Å; R5-V45 VanDerWaalsContact N-O 3.12Å; R5-V45 PolarHBondContact O-N 3Å; R5-E47 IonicContact CZ-OE2 3.35Å; R5-E47 IonicContact NE-OE2 2.78Å; R5-E47 PolarHBondContact NE-OE2 3.31Å; R5-E47 IonicContact NH2-OE2 3.29Å; R5-E47 PolarHBondContact NH2-OE2 3.39Å
6P96.5Very high93.3Very high81 Ų8168.3 Ų68.353%0.52637%0.368SS..EExtended strand (participates in β ladder)trans-53.5144.1170.8-26.436.4000112.1E8P6-E8 PolarHBondContact O-N 3.09Å
7F96.8Very high93.1Very high12 Ų1270.2 Ų70.25%0.05337%0.372CS..PPolyproline II helixtrans-71.5122.7172.9-166-56.4000108.7D11 L12 I15 L36 C43 V45 Y56 L58F7-D11 HydrophobicContact CD1-CB 4.14Å; F7-D11 HydrophobicContact CE1-CB 3.7Å; F7-D11 HydrophobicContact CZ-CB 4.05Å; F7-L12 HydrophobicContact CE1-CD2 3.65Å; F7-L12 HydrophobicContact CE1-CG 3.86Å; F7-L12 HydrophobicContact CZ-CD2 3.69Å; F7-L12 HydrophobicContact CZ-CG 4.29Å; F7-I15 HydrophobicContact CE2-CG2 3.94Å; F7-I15 HydrophobicContact CZ-CD1 4.17Å; F7-I15 HydrophobicContact CZ-CG2 3.8Å; F7-L36 HydrophobicContact CB-CD2 3.81Å; F7-L36 HydrophobicContact CD1-CD1 3.97Å; F7-L36 HydrophobicContact CD1-CD2 3.6Å; F7-L36 HydrophobicContact CD1-CG 4.38Å; F7-L36 HydrophobicContact CE1-CD1 4.22Å; F7-L36 HydrophobicContact CE1-CD2 4.5Å; F7-L36 HydrophobicContact CG-CD2 3.88Å; F7-L36 WeakPolarHBondContact O-CD2 3.22Å; F7-C43 HydrophobicContact CB-CB 3.76Å; F7-C43 WeakPolarHBondContact CB-O 3.17Å; F7-C43 PolarHBondContact N-O 3.3Å; F7-V45 HydrophobicContact CB-CG1 3.97Å; F7-V45 HydrophobicContact CD2-CG1 3.3Å; F7-V45 HydrophobicContact CE2-CG1 3.83Å; F7-V45 HydrophobicContact CG-CG1 3.7Å; F7-Y56 HydrophobicContact CE2-CD2 4.21Å; F7-Y56 HydrophobicContact CE2-CG 4.05Å; F7-L58 HydrophobicContact CD2-CD2 4.1Å; F7-L58 HydrophobicContact CE2-CD2 4.4Å
8E95.2Very high93.1Very high116 Ų11666.4 Ų66.454%0.54235%0.351SS..PPolyproline II helixtrans-103153.7177.6-64.5-179.8-174.100111.1P6 G10 D11P6-E8 PolarHBondContact O-N 3.09Å; E8-G10 PolarHBondContact O-N 3.19Å; E8-G10 VanDerWaalsContact O-N 3.12Å; E8-D11 PolarHBondContact N-OD2 3.16Å; E8-D11 VanDerWaalsContact O-CB 3.29Å; E8-D11 WeakPolarHBondContact O-CB 3.38Å; E8-D11 PolarHBondContact O-N 2.65Å
9T92.7Very high93.1Very high80 Ų8063.9 Ų63.949%0.49134%0.338SS..G310 helixtrans-58-30.9-179.453.70000113D11 L12 M33 L36T9-D11 VanDerWaalsContact C-N 3.25Å; T9-D11 PolarHBondContact O-N 3.33Å; T9-L12 WeakPolarHBondContact O-CB 3.2Å; T9-L12 WeakPolarHBondContact O-CG 3.31Å; T9-L12 PolarHBondContact O-N 2.94Å; T9-M33 HydrophobicContact CG2-CE 4.2Å; T9-M33 HydrophobicContact CG2-SD 3.82Å; T9-L36 HydrophobicContact CG2-CD1 3.93Å
10G93Very high93Very high39 Ų3967.7 Ų67.740%0.40236%0.358SS..G310 helixtrans-66.8-21.4174.900000114.4E8 L12E8-G10 PolarHBondContact O-N 3.19Å; E8-G10 VanDerWaalsContact O-N 3.12Å; G10-L12 PolarHBondContact O-N 2.98Å
11D95Very high92.8Very high3 Ų365.6 Ų65.62%0.01635%0.347CS..G310 helixtrans-72.4-19.2177.4-65.4-45000112.5R5 F7 E8 T9 F13 K14 I15 L53R5-D11 IonicContact CZ-OD1 3.24Å; R5-D11 IonicContact CZ-OD2 2.82Å; R5-D11 IonicContact NH1-OD1 3.45Å; R5-D11 IonicContact NH1-OD2 3.99Å; R5-D11 PolarHBondContact NH1-OD2 3.05Å; R5-D11 IonicContact NH2-OD1 3.71Å; R5-D11 PolarHBondContact NH2-OD1 3.23Å; R5-D11 IonicContact NH2-OD2 2.69Å; R5-D11 PolarHBondContact NH2-OD2 2.87Å; F7-D11 HydrophobicContact CD1-CB 4.14Å; F7-D11 HydrophobicContact CE1-CB 3.7Å; F7-D11 HydrophobicContact CZ-CB 4.05Å; E8-D11 PolarHBondContact N-OD2 3.16Å; E8-D11 VanDerWaalsContact O-CB 3.29Å; E8-D11 WeakPolarHBondContact O-CB 3.38Å; E8-D11 PolarHBondContact O-N 2.65Å; T9-D11 VanDerWaalsContact C-N 3.25Å; T9-D11 PolarHBondContact O-N 3.33Å; D11-F13 PolarHBondContact O-N 3.36Å; D11-F13 VanDerWaalsContact O-N 3.15Å; D11-K14 WeakPolarHBondContact O-CA 3.48Å; D11-K14 WeakPolarHBondContact O-CB 3.15Å; D11-K14 PolarHBondContact O-N 3.03Å; D11-K14 IonicContact OD1-NZ 3.7Å; D11-I15 PolarHBondContact O-N 3.44Å; D11-L53 HydrophobicContact CB-CD1 3.82Å
12L92.6Very high92.9Very high16 Ų1665 Ų658%0.08435%0.347CS..G310 helixtrans-58.6-30.1178.6-66.7170000112.6F7 T9 G10 K14 I15 L29 Y32 M33 L36F7-L12 HydrophobicContact CE1-CD2 3.65Å; F7-L12 HydrophobicContact CE1-CG 3.86Å; F7-L12 HydrophobicContact CZ-CD2 3.69Å; F7-L12 HydrophobicContact CZ-CG 4.29Å; T9-L12 WeakPolarHBondContact O-CB 3.2Å; T9-L12 WeakPolarHBondContact O-CG 3.31Å; T9-L12 PolarHBondContact O-N 2.94Å; G10-L12 PolarHBondContact O-N 2.98Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 2.97Å; L12-I15 HydrophobicContact CD2-CD1 4.13Å; L12-I15 WeakPolarHBondContact O-CG1 3.47Å; L12-L29 HydrophobicContact CD1-CD1 3.68Å; L12-Y32 HydrophobicContact CD2-CD1 3.96Å; L12-Y32 HydrophobicContact CD2-CD2 4.23Å; L12-Y32 HydrophobicContact CD2-CG 3.66Å; L12-M33 HydrophobicContact CD1-CE 3.51Å; L12-M33 HydrophobicContact CD1-SD 3.98Å; L12-L36 HydrophobicContact CD1-CD1 4.19Å
13F89.9Confident92.7Very high168 Ų16866.7 Ų66.774%0.73735%0.35SS*.G310 helixtrans-77.9-13.2175.7-58.5-72.7000113.4D11D11-F13 PolarHBondContact O-N 3.36Å; D11-F13 VanDerWaalsContact O-N 3.15Å
14K92.4Very high92.4Very high112 Ų11264 Ų6449%0.48733%0.334SS..THydrogen-bonded Turntrans-102.9-26.4-176.7-60.4178.9-174.6172.60112.8D11 L12 C16 L53D11-K14 WeakPolarHBondContact O-CA 3.48Å; D11-K14 WeakPolarHBondContact O-CB 3.15Å; D11-K14 PolarHBondContact O-N 3.03Å; D11-K14 IonicContact OD1-NZ 3.7Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 2.97Å; K14-C16 PolarHBondContact O-N 2.87Å; K14-L53 HydrophobicContact CB-CD1 3.61Å; K14-L53 HydrophobicContact CB-CG 4.21Å; K14-L53 HydrophobicContact CD-CD1 4.23Å; K14-L53 HydrophobicContact CD-CG 4.33Å
15I93.6Very high91.9Very high3 Ų364.9 Ų64.92%0.01534%0.337CS..THydrogen-bonded Turntrans-69.2-12.1179.963.7166.5000113.6F7 D11 L12 K17 I18 N19 Y32 L53 Y56F7-I15 HydrophobicContact CE2-CG2 3.94Å; F7-I15 HydrophobicContact CZ-CD1 4.17Å; F7-I15 HydrophobicContact CZ-CG2 3.8Å; D11-I15 PolarHBondContact O-N 3.44Å; L12-I15 HydrophobicContact CD2-CD1 4.13Å; L12-I15 WeakPolarHBondContact O-CG1 3.47Å; I15-K17 PolarHBondContact O-N 2.74Å; I15-K17 VanDerWaalsContact O-N 3.1Å; I15-I18 WeakPolarHBondContact O-CA 3.43Å; I15-I18 WeakPolarHBondContact O-CB 3.39Å; I15-I18 PolarHBondContact O-N 3.23Å; I15-N19 PolarHBondContact O-N 3.29Å; I15-N19 PolarHBondContact O-OD1 2.8Å; I15-Y32 HydrophobicContact CD1-CD1 4.43Å; I15-Y32 HydrophobicContact CD1-CE1 3.9Å; I15-Y32 HydrophobicContact CD1-CE2 4.49Å; I15-L53 HydrophobicContact CG2-CD1 3.99Å; I15-Y56 HydrophobicContact CB-CD1 4.18Å; I15-Y56 HydrophobicContact CB-CE1 4.2Å; I15-Y56 HydrophobicContact CD1-CE1 4.48Å; I15-Y56 HydrophobicContact CG2-CD1 3.85Å; I15-Y56 HydrophobicContact CG2-CE1 4.35Å; I15-Y56 HydrophobicContact CG2-CG 4.39Å
16C89.3Confident91.6Very high80 Ų8067 Ų6754%0.54136%0.355SS..THydrogen-bonded Turntrans-50.8-39.4-179.9-63.20000112.7K14 N19 L20K14-C16 PolarHBondContact O-N 2.87Å; C16-N19 PolarHBondContact O-N 3.26Å; C16-L20 WeakPolarHBondContact O-CG 3.38Å; C16-L20 PolarHBondContact O-N 3.37Å
17K89.8Confident91.4Very high101 Ų10166.5 Ų66.544%0.43934%0.343SS..THydrogen-bonded Turntrans-64-43.3176.3-173.9-171.8176.1-147.40111.9I15 N19 L20 D78 D80I15-K17 PolarHBondContact O-N 2.74Å; I15-K17 VanDerWaalsContact O-N 3.1Å; K17-N19 VanDerWaalsContact C-N 3.3Å; K17-N19 PolarHBondContact O-N 2.96Å; K17-L20 WeakPolarHBondContact O-CB 3.42Å; K17-L20 PolarHBondContact O-N 3.47Å; K17-D78 VanDerWaalsContact CD-OD2 3.29Å; K17-D78 WeakPolarHBondContact CD-OD2 3.48Å; K17-D78 WeakPolarHBondContact CE-OD2 3.29Å; K17-D78 IonicContact NZ-OD1 3.37Å; K17-D78 PolarHBondContact NZ-OD1 3.14Å; K17-D78 IonicContact NZ-OD2 2.72Å; K17-D78 PolarHBondContact NZ-OD2 3.32Å; K17-D80 IonicContact NZ-OD2 2.77Å; K17-D80 PolarHBondContact NZ-OD2 3.37Å
18I93.9Very high91.2Very high1 Ų170.6 Ų70.61%0.00537%0.366CS..G310 helixtrans-64.3-40.4179.3-60.6169.7000109.9I15 L20 D21 L53 Y56 D78I15-I18 WeakPolarHBondContact O-CA 3.43Å; I15-I18 WeakPolarHBondContact O-CB 3.39Å; I15-I18 PolarHBondContact O-N 3.23Å; I18-L20 PolarHBondContact O-N 3.5Å; I18-D21 PolarHBondContact O-N 2.64Å; I18-L53 HydrophobicContact CD1-CB 4.03Å; I18-Y56 HydrophobicContact CB-CD1 4.39Å; I18-Y56 HydrophobicContact CB-CE1 4.22Å; I18-Y56 HydrophobicContact CD1-CD1 4.09Å; I18-Y56 HydrophobicContact CG2-CD1 3.92Å; I18-Y56 HydrophobicContact CG2-CE1 3.7Å; I18-D78 HydrophobicContact CG1-CB 4.1Å
19N93.1Very high91Very high19 Ų1970 Ų7010%0.10237%0.366CS..G310 helixtrans-70.4-9-179.1-73.320.8000114.5I15 C16 K17 D21 T24 T26 Y32 Y56I15-N19 PolarHBondContact O-N 3.29Å; I15-N19 PolarHBondContact O-OD1 2.8Å; C16-N19 PolarHBondContact O-N 3.26Å; K17-N19 VanDerWaalsContact C-N 3.3Å; K17-N19 PolarHBondContact O-N 2.96Å; N19-D21 PolarHBondContact O-N 3.41Å; N19-T24 HydrophobicContact CB-CG2 4.35Å; N19-T26 WeakPolarHBondContact CB-OG1 3.28Å; N19-Y32 PolarHBondContact ND2-OH 3.32Å; N19-Y32 VanDerWaalsContact ND2-OH 3.09Å; N19-Y56 WeakPolarHBondContact OD1-CE1 3.37Å; N19-Y56 PolarHBondContact OD1-OH 2.76Å
20L90.3Very high91.1Very high139 Ų13970 Ų7073%0.72837%0.369SS*.G310 helixtrans-72.4-7.5172.7-67.6175.5000113C16 K17 I18C16-L20 WeakPolarHBondContact O-CG 3.38Å; C16-L20 PolarHBondContact O-N 3.37Å; K17-L20 WeakPolarHBondContact O-CB 3.42Å; K17-L20 PolarHBondContact O-N 3.47Å; I18-L20 PolarHBondContact O-N 3.5Å
21D89.3Confident91.2Very high25 Ų2570.5 Ų70.513%0.13436%0.36CS..SBendtrans-66.5133.3173.1175.868000112.1I18 N19 F23 T24 R82I18-D21 PolarHBondContact O-N 2.64Å; N19-D21 PolarHBondContact O-N 3.41Å; D21-F23 PolarHBondContact O-N 2.8Å; D21-F23 PolarHBondContact OD2-N 2.94Å; D21-F23 VanDerWaalsContact OD2-N 3.16Å; D21-T24 WeakPolarHBondContact O-CB 3.42Å; D21-T24 PolarHBondContact O-N 2.61Å; D21-T24 PolarHBondContact OD2-N 2.89Å; D21-T24 PolarHBondContact OD2-OG1 2.86Å; D21-R82 IonicContact OD1-CZ 2.78Å; D21-R82 VanDerWaalsContact OD1-CZ 3.32Å; D21-R82 IonicContact OD1-NH1 2.72Å; D21-R82 PolarHBondContact OD1-NH1 2.9Å; D21-R82 VanDerWaalsContact OD1-NH1 3.14Å; D21-R82 IonicContact OD1-NH2 3.31Å; D21-R82 PolarHBondContact OD1-NH2 2.93Å; D21-R82 IonicContact OD2-NH2 2.65Å
22N86.4Confident91.2Very high152 Ų15270.9 Ų70.981%0.81336%0.361SS*.THydrogen-bonded Turntrans-58.2-25.2-175.8-66.4-13.4000114.8
23F88.2Confident91.3Very high83 Ų8373 Ų7336%0.36437%0.372SS..THydrogen-bonded Turntrans-97.8-0.8178.9-65-67.6000113.2D21 N114D21-F23 PolarHBondContact O-N 2.8Å; D21-F23 PolarHBondContact OD2-N 2.94Å; D21-F23 VanDerWaalsContact OD2-N 3.16Å; F23-N114 VanDerWaalsContact CB-ND2 3.34Å; F23-N114 WeakPolarHBondContact CB-ND2 3.34Å; F23-N114 HydrophobicContact CD1-CB 3.73Å; F23-N114 HydrophobicContact CE1-CB 3.74Å; F23-N114 HydrophobicContact CG-CB 4.12Å; F23-N114 VanDerWaalsContact CG-ND2 3.34Å; F23-N114 WeakPolarHBondContact CG-ND2 3.06Å; F23-N114 HydrophobicContact CZ-CB 4.13Å
24T89.2Confident91.6Very high17 Ų1769.5 Ų69.510%0.10436%0.358CS..  trans-91.5111.8-179.9-650000110.2N19 D21 T26 Y56 S76N19-T24 HydrophobicContact CB-CG2 4.35Å; D21-T24 WeakPolarHBondContact O-CB 3.42Å; D21-T24 PolarHBondContact O-N 2.61Å; D21-T24 PolarHBondContact OD2-N 2.89Å; D21-T24 PolarHBondContact OD2-OG1 2.86Å; T24-T26 PolarHBondContact O-N 3.47Å; T24-Y56 WeakPolarHBondContact CG2-OH 3.24Å; T24-S76 WeakPolarHBondContact CB-OG 3.31Å; T24-S76 WeakPolarHBondContact CG2-OG 3.24Å; T24-S76 WeakPolarHBondContact OG1-CB 3.5Å; T24-S76 PolarHBondContact OG1-OG 2.95Å
25E87.3Confident91.8Very high69 Ų6964.7 Ų64.732%0.32234%0.336SS..PPolyproline II helixtrans-69126.2172.8-60.9-60155.100110.1Y27 R111 Y136E25-Y27 HydrophobicContact CB-CE1 4.37Å; E25-Y27 HydrophobicContact CB-CE2 4.24Å; E25-R111 IonicContact OE1-CZ 3.68Å; E25-R111 IonicContact OE1-NE 3.32Å; E25-R111 PolarHBondContact OE1-NE 3.33Å; E25-R111 IonicContact OE1-NH2 3.48Å; E25-R111 PolarHBondContact OE1-NH2 3.25Å; E25-Y136 HydrophobicContact CG-CE1 4.26Å
26T89.4Confident91.9Very high90 Ų9065.5 Ų65.555%0.55234%0.341SS*.PPolyproline II helixtrans-99.6116.5178-630000109.8N19 T24N19-T26 WeakPolarHBondContact CB-OG1 3.28Å; T24-T26 PolarHBondContact O-N 3.47Å
27Y91.4Very high92.2Very high72 Ų7268.4 Ų68.428%0.28235%0.35SS..PPolyproline II helixtrans-91.5166.8-179.2-54.6-78.9000111.9E25 F31 Y32 T73 A74E25-Y27 HydrophobicContact CB-CE1 4.37Å; E25-Y27 HydrophobicContact CB-CE2 4.24Å; Y27-F31 VanDerWaalsContact CB-CD1 3.42Å; Y27-F31 AromaticContact CD1-CD1 3.84Å; Y27-F31 HydrophobicContact CD1-CD1 3.84Å; Y27-F31 AromaticContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CE2 4.46Å; Y27-F31 HydrophobicContact CD1-CG 4.24Å; Y27-F31 HydrophobicContact CD1-CZ 4.05Å; Y27-F31 AromaticContact CD2-CD1 3.85Å; Y27-F31 HydrophobicContact CD2-CD1 3.85Å; Y27-F31 AromaticContact CD2-CE1 3.73Å; Y27-F31 HydrophobicContact CD2-CE1 3.73Å; Y27-F31 HydrophobicContact CE1-CE1 4.03Å; Y27-F31 HydrophobicContact CE1-CZ 4.11Å; Y27-F31 HydrophobicContact CE2-CE1 4.03Å; Y27-F31 AromaticContact CG-CD1 3.41Å; Y27-F31 HydrophobicContact CG-CD1 3.41Å; Y27-F31 VanDerWaalsContact CG-CD1 3.41Å; Y27-F31 AromaticContact CG-CE1 3.57Å; Y27-F31 HydrophobicContact CG-CE1 3.57Å; Y27-F31 HydrophobicContact CG-CG 4.08Å; Y27-F31 HydrophobicContact CG-CZ 4.35Å; Y27-Y32 HydrophobicContact CD2-CE1 4.31Å; Y27-Y32 PolarHBondContact N-OH 2.9Å; Y27-Y32 VanDerWaalsContact O-CE2 3.23Å; Y27-Y32 WeakPolarHBondContact O-CE2 3.13Å; Y27-T73 HydrophobicContact CE2-CG2 4.39Å; Y27-T73 PolarHBondContact OH-O 3.26Å; Y27-A74 HydrophobicContact CE2-CB 4.23Å
28N92.3Very high92.5Very high98 Ų9871.5 Ų71.552%0.52436%0.36SS..PPolyproline II helixtrans-72.1161.217265.840.4000111.2S30 F31 Y32N28-S30 VanDerWaalsContact C-N 3.29Å; N28-S30 VanDerWaalsContact CG-OG 3.28Å; N28-S30 PolarHBondContact O-N 2.83Å; N28-S30 PolarHBondContact OD1-N 3.39Å; N28-S30 PolarHBondContact OD1-OG 3.39Å; N28-F31 WeakPolarHBondContact O-CB 3.35Å; N28-F31 PolarHBondContact O-N 2.7Å; N28-F31 VanDerWaalsContact O-N 3.13Å; N28-F31 VanDerWaalsContact OD1-CB 3.29Å; N28-F31 WeakPolarHBondContact OD1-CB 3.34Å; N28-F31 PolarHBondContact OD1-N 3.09Å; N28-Y32 WeakPolarHBondContact O-CD2 3.49Å; N28-Y32 PolarHBondContact O-N 2.64Å
29L92.4Very high92.6Very high103 Ų10374 Ų7454%0.53937%0.37SS..Hα-helixtrans-58.7-39.2-177.6-176.162000112.9L12 F31 Y32 M33L12-L29 HydrophobicContact CD1-CD1 3.68Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 3.38Å; L29-Y32 PolarHBondContact O-N 3.28Å; L29-M33 HydrophobicContact CD1-CE 4.04Å; L29-M33 HydrophobicContact CD1-CG 4.4Å; L29-M33 HydrophobicContact CG-CE 4.48Å; L29-M33 HydrophobicContact CG-CG 4.34Å; L29-M33 VanDerWaalsContact O-CG 3.3Å; L29-M33 WeakPolarHBondContact O-CG 3.19Å; L29-M33 PolarHBondContact O-N 3.11Å
30S94.3Very high92.8Very high80 Ų8076.6 Ų76.656%0.55939%0.387SS*.Hα-helixtrans-60.2-37.1178.137.40000112.7N28 M33 Q34N28-S30 VanDerWaalsContact C-N 3.29Å; N28-S30 VanDerWaalsContact CG-OG 3.28Å; N28-S30 PolarHBondContact O-N 2.83Å; N28-S30 PolarHBondContact OD1-N 3.39Å; N28-S30 PolarHBondContact OD1-OG 3.39Å; S30-M33 PolarHBondContact O-N 3.37Å; S30-Q34 WeakPolarHBondContact O-CB 3.42Å; S30-Q34 PolarHBondContact O-N 2.67Å
31F94.9Very high93Very high49 Ų4974.8 Ų74.822%0.21538%0.375CS..Hα-helixtrans-65.4-49.5177.8-174.6-89.8000110.8Y27 N28 L29 M33 Q34 Y35 T73Y27-F31 VanDerWaalsContact CB-CD1 3.42Å; Y27-F31 AromaticContact CD1-CD1 3.84Å; Y27-F31 HydrophobicContact CD1-CD1 3.84Å; Y27-F31 AromaticContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CE2 4.46Å; Y27-F31 HydrophobicContact CD1-CG 4.24Å; Y27-F31 HydrophobicContact CD1-CZ 4.05Å; Y27-F31 AromaticContact CD2-CD1 3.85Å; Y27-F31 HydrophobicContact CD2-CD1 3.85Å; Y27-F31 AromaticContact CD2-CE1 3.73Å; Y27-F31 HydrophobicContact CD2-CE1 3.73Å; Y27-F31 HydrophobicContact CE1-CE1 4.03Å; Y27-F31 HydrophobicContact CE1-CZ 4.11Å; Y27-F31 HydrophobicContact CE2-CE1 4.03Å; Y27-F31 AromaticContact CG-CD1 3.41Å; Y27-F31 HydrophobicContact CG-CD1 3.41Å; Y27-F31 VanDerWaalsContact CG-CD1 3.41Å; Y27-F31 AromaticContact CG-CE1 3.57Å; Y27-F31 HydrophobicContact CG-CE1 3.57Å; Y27-F31 HydrophobicContact CG-CG 4.08Å; Y27-F31 HydrophobicContact CG-CZ 4.35Å; N28-F31 WeakPolarHBondContact O-CB 3.35Å; N28-F31 PolarHBondContact O-N 2.7Å; N28-F31 VanDerWaalsContact O-N 3.13Å; N28-F31 VanDerWaalsContact OD1-CB 3.29Å; N28-F31 WeakPolarHBondContact OD1-CB 3.34Å; N28-F31 PolarHBondContact OD1-N 3.09Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 3.38Å; F31-M33 VanDerWaalsContact C-N 3.32Å; F31-M33 PolarHBondContact O-N 3.48Å; F31-Q34 WeakPolarHBondContact O-CB 3.33Å; F31-Q34 PolarHBondContact O-N 2.71Å; F31-Y35 HydrophobicContact CD1-CD2 4.14Å; F31-Y35 HydrophobicContact CD1-CE2 4.06Å; F31-Y35 HydrophobicContact CD2-CE2 4.34Å; F31-Y35 AromaticContact CE1-CD2 3.92Å; F31-Y35 HydrophobicContact CE1-CD2 3.92Å; F31-Y35 AromaticContact CE1-CE2 3.46Å; F31-Y35 HydrophobicContact CE1-CE2 3.46Å; F31-Y35 VanDerWaalsContact CE1-CE2 3.46Å; F31-Y35 AromaticContact CE2-CE2 3.78Å; F31-Y35 HydrophobicContact CE2-CE2 3.78Å; F31-Y35 HydrophobicContact CG-CE2 4.47Å; F31-Y35 HydrophobicContact CZ-CD2 4.19Å; F31-Y35 AromaticContact CZ-CE2 3.3Å; F31-Y35 HydrophobicContact CZ-CE2 3.3Å; F31-Y35 AromaticContact CZ-CZ 3.76Å; F31-Y35 VanDerWaalsContact O-CD2 3.32Å; F31-Y35 WeakPolarHBondContact O-CD2 3.48Å; F31-Y35 PolarHBondContact O-N 3.16Å; F31-T73 HydrophobicContact CE1-CG2 3.74Å; F31-T73 HydrophobicContact CZ-CG2 3.68Å
32Y95Very high93.4Very high11 Ų1173.6 Ų73.64%0.04337%0.369CS..Hα-helixtrans-58.8-44.5174.9-70.3-73.4000112.1L12 I15 N19 Y27 N28 L29 Q34 Y35 L36 L58L12-Y32 HydrophobicContact CD2-CD1 3.96Å; L12-Y32 HydrophobicContact CD2-CD2 4.23Å; L12-Y32 HydrophobicContact CD2-CG 3.66Å; I15-Y32 HydrophobicContact CD1-CD1 4.43Å; I15-Y32 HydrophobicContact CD1-CE1 3.9Å; I15-Y32 HydrophobicContact CD1-CE2 4.49Å; N19-Y32 PolarHBondContact ND2-OH 3.32Å; N19-Y32 VanDerWaalsContact ND2-OH 3.09Å; Y27-Y32 HydrophobicContact CD2-CE1 4.31Å; Y27-Y32 PolarHBondContact N-OH 2.9Å; Y27-Y32 VanDerWaalsContact O-CE2 3.23Å; Y27-Y32 WeakPolarHBondContact O-CE2 3.13Å; N28-Y32 WeakPolarHBondContact O-CD2 3.49Å; N28-Y32 PolarHBondContact O-N 2.64Å; L29-Y32 PolarHBondContact O-N 3.28Å; Y32-Q34 VanDerWaalsContact C-N 3.33Å; Y32-Q34 PolarHBondContact O-N 2.88Å; Y32-Y35 PolarHBondContact O-N 3.34Å; Y32-L36 WeakPolarHBondContact O-CG 3.49Å; Y32-L36 PolarHBondContact O-N 3.37Å; Y32-L36 VanDerWaalsContact O-N 3.08Å; Y32-L58 HydrophobicContact CD1-CD1 3.61Å; Y32-L58 HydrophobicContact CE1-CD1 3.63Å
33M94.8Very high93.9Very high62 Ų6266.3 Ų66.331%0.30533%0.33SS..Hα-helixtrans-63.1-38.8178.8-70.9-64.1-17500112.4T9 L12 L29 S30 F31 Y35 L36 L37T9-M33 HydrophobicContact CG2-CE 4.2Å; T9-M33 HydrophobicContact CG2-SD 3.82Å; L12-M33 HydrophobicContact CD1-CE 3.51Å; L12-M33 HydrophobicContact CD1-SD 3.98Å; L29-M33 HydrophobicContact CD1-CE 4.04Å; L29-M33 HydrophobicContact CD1-CG 4.4Å; L29-M33 HydrophobicContact CG-CE 4.48Å; L29-M33 HydrophobicContact CG-CG 4.34Å; L29-M33 VanDerWaalsContact O-CG 3.3Å; L29-M33 WeakPolarHBondContact O-CG 3.19Å; L29-M33 PolarHBondContact O-N 3.11Å; S30-M33 PolarHBondContact O-N 3.37Å; F31-M33 VanDerWaalsContact C-N 3.32Å; F31-M33 PolarHBondContact O-N 3.48Å; M33-Y35 VanDerWaalsContact C-N 3.32Å; M33-Y35 PolarHBondContact O-N 3.36Å; M33-L36 PolarHBondContact O-N 3.01Å; M33-L37 WeakPolarHBondContact O-CB 3.06Å; M33-L37 VanDerWaalsContact O-CG 3.26Å; M33-L37 WeakPolarHBondContact O-CG 3.38Å; M33-L37 PolarHBondContact O-N 3.13Å
34Q95.9Very high94.4Very high93 Ų9363.3 Ų63.344%0.43532%0.318SS..Hα-helixtrans-57.4-47174.7-177.8177.7-10.100110.9S30 F31 Y32 L36 L37 Y38S30-Q34 WeakPolarHBondContact O-CB 3.42Å; S30-Q34 PolarHBondContact O-N 2.67Å; F31-Q34 WeakPolarHBondContact O-CB 3.33Å; F31-Q34 PolarHBondContact O-N 2.71Å; Y32-Q34 VanDerWaalsContact C-N 3.33Å; Y32-Q34 PolarHBondContact O-N 2.88Å; Q34-L36 PolarHBondContact O-N 3.31Å; Q34-L37 PolarHBondContact O-N 3.42Å; Q34-Y38 HydrophobicContact CG-CD2 3.55Å; Q34-Y38 HydrophobicContact CG-CE2 3.74Å; Q34-Y38 VanDerWaalsContact O-CD2 3.28Å; Q34-Y38 WeakPolarHBondContact O-CD2 3.42Å; Q34-Y38 PolarHBondContact O-N 2.99Å
35Y96.7Very high94.8Very high11 Ų1162.5 Ų62.54%0.04331%0.313CS..Hα-helixtrans-61.9-45.2178.2-86.8-108.9000112.5F31 Y32 M33 L37 W39 L58 K60 T73F31-Y35 HydrophobicContact CD1-CD2 4.14Å; F31-Y35 HydrophobicContact CD1-CE2 4.06Å; F31-Y35 HydrophobicContact CD2-CE2 4.34Å; F31-Y35 AromaticContact CE1-CD2 3.92Å; F31-Y35 HydrophobicContact CE1-CD2 3.92Å; F31-Y35 AromaticContact CE1-CE2 3.46Å; F31-Y35 HydrophobicContact CE1-CE2 3.46Å; F31-Y35 VanDerWaalsContact CE1-CE2 3.46Å; F31-Y35 AromaticContact CE2-CE2 3.78Å; F31-Y35 HydrophobicContact CE2-CE2 3.78Å; F31-Y35 HydrophobicContact CG-CE2 4.47Å; F31-Y35 HydrophobicContact CZ-CD2 4.19Å; F31-Y35 AromaticContact CZ-CE2 3.3Å; F31-Y35 HydrophobicContact CZ-CE2 3.3Å; F31-Y35 AromaticContact CZ-CZ 3.76Å; F31-Y35 VanDerWaalsContact O-CD2 3.32Å; F31-Y35 WeakPolarHBondContact O-CD2 3.48Å; F31-Y35 PolarHBondContact O-N 3.16Å; Y32-Y35 PolarHBondContact O-N 3.34Å; M33-Y35 VanDerWaalsContact C-N 3.32Å; M33-Y35 PolarHBondContact O-N 3.36Å; Y35-L37 PolarHBondContact O-N 2.89Å; Y35-W39 HydrophobicContact CD1-CE3 4.28Å; Y35-W39 HydrophobicContact CG-CE3 4.45Å; Y35-W39 CarbonylContact O-C 3.59Å; Y35-W39 WeakPolarHBondContact O-CA 3.02Å; Y35-W39 PolarHBondContact O-N 3.29Å; Y35-L58 HydrophobicContact CD1-CB 4.17Å; Y35-K60 HydrophobicContact CE1-CB 3.92Å; Y35-K60 HydrophobicContact CE1-CD 4.32Å; Y35-K60 HydrophobicContact CE1-CG 4.11Å; Y35-K60 WeakPolarHBondContact OH-CD 3.06Å; Y35-T73 HydrophobicContact CE1-CG2 3.98Å; Y35-T73 WeakPolarHBondContact CE1-OG1 3.49Å; Y35-T73 HydrophobicContact CE2-CG2 4.44Å; Y35-T73 VanDerWaalsContact CZ-OG1 3.26Å; Y35-T73 WeakPolarHBondContact OH-CB 3.41Å; Y35-T73 VanDerWaalsContact OH-CG2 3.23Å; Y35-T73 WeakPolarHBondContact OH-CG2 3.42Å; Y35-T73 PolarHBondContact OH-OG1 2.91Å
36L95.7Very high95.3Very high21 Ų2159.2 Ų59.211%0.1130%0.297CS..Hα-helixtrans-64.5-27.8178.4-64.3177.4000113F7 T9 L12 Y32 M33 Q34 P40 C43F7-L36 HydrophobicContact CB-CD2 3.81Å; F7-L36 HydrophobicContact CD1-CD1 3.97Å; F7-L36 HydrophobicContact CD1-CD2 3.6Å; F7-L36 HydrophobicContact CD1-CG 4.38Å; F7-L36 HydrophobicContact CE1-CD1 4.22Å; F7-L36 HydrophobicContact CE1-CD2 4.5Å; F7-L36 HydrophobicContact CG-CD2 3.88Å; F7-L36 WeakPolarHBondContact O-CD2 3.22Å; T9-L36 HydrophobicContact CG2-CD1 3.93Å; L12-L36 HydrophobicContact CD1-CD1 4.19Å; Y32-L36 WeakPolarHBondContact O-CG 3.49Å; Y32-L36 PolarHBondContact O-N 3.37Å; Y32-L36 VanDerWaalsContact O-N 3.08Å; M33-L36 PolarHBondContact O-N 3.01Å; Q34-L36 PolarHBondContact O-N 3.31Å; L36-P40 WeakPolarHBondContact O-CB 3.43Å; L36-C43 HydrophobicContact CD2-CB 3.67Å
37L95.9Very high95.6Very high141 Ų14156.4 Ų56.474%0.73828%0.278SS*.Hα-helixtrans-82.4-45.4178-71.9171.2000112.9M33 Q34 Y35M33-L37 WeakPolarHBondContact O-CB 3.06Å; M33-L37 VanDerWaalsContact O-CG 3.26Å; M33-L37 WeakPolarHBondContact O-CG 3.38Å; M33-L37 PolarHBondContact O-N 3.13Å; Q34-L37 PolarHBondContact O-N 3.42Å; Y35-L37 PolarHBondContact O-N 2.89Å
38Y96Very high95.8Very high165 Ų16554 Ų5465%0.64727%0.27SS*.Hα-helixtrans-84.5-36-175.5-74.6-72.8000113.2Q34 P40Q34-Y38 HydrophobicContact CG-CD2 3.55Å; Q34-Y38 HydrophobicContact CG-CE2 3.74Å; Q34-Y38 VanDerWaalsContact O-CD2 3.28Å; Q34-Y38 WeakPolarHBondContact O-CD2 3.42Å; Q34-Y38 PolarHBondContact O-N 2.99Å; Y38-P40 VanDerWaalsContact C-CD 3.48Å
39W96.9Very high95.8Very high55 Ų5556.4 Ų56.421%0.20828%0.28CS..  trans-132.458.2-175.8-56.9-79.8000112.8Y35 E41 L42 C43 K60 T61Y35-W39 HydrophobicContact CD1-CE3 4.28Å; Y35-W39 HydrophobicContact CG-CE3 4.45Å; Y35-W39 CarbonylContact O-C 3.59Å; Y35-W39 WeakPolarHBondContact O-CA 3.02Å; Y35-W39 PolarHBondContact O-N 3.29Å; W39-E41 PolarHBondContact O-N 2.97Å; W39-L42 HydrophobicContact CB-CB 4.04Å; W39-L42 HydrophobicContact CB-CD1 3.98Å; W39-L42 HydrophobicContact CB-CG 4.25Å; W39-L42 HydrophobicContact CG-CD1 4.1Å; W39-L42 PolarHBondContact O-N 3.19Å; W39-C43 PolarHBondContact O-N 3.24Å; W39-C43 PolarHBondContact O-SG 2.98Å; W39-C43 VanDerWaalsContact O-SG 3.32Å; W39-K60 HydrophobicContact CD2-CB 3.5Å; W39-K60 HydrophobicContact CE3-CB 3.55Å; W39-K60 HydrophobicContact CG-CB 4.13Å; W39-K60 HydrophobicContact CH2-CB 3.86Å; W39-K60 HydrophobicContact CH2-CD 4.2Å; W39-K60 HydrophobicContact CZ2-CB 3.79Å; W39-K60 HydrophobicContact CZ3-CB 3.74Å; W39-K60 HydrophobicContact CZ3-CD 4.43Å; W39-T61 PolarHBondContact NE1-OG1 3.42Å; W39-T61 VanDerWaalsContact NE1-OG1 3.13Å
40P96Very high95.9Very high72 Ų7261.7 Ų61.747%0.46829%0.293SS..G310 helixtrans-58.8-34.9-178.123.4-33.8000113L36 Y38 L42 C43L36-P40 WeakPolarHBondContact O-CB 3.43Å; Y38-P40 VanDerWaalsContact C-CD 3.48Å; P40-L42 VanDerWaalsContact C-N 3.25Å; P40-L42 PolarHBondContact O-N 3.39Å; P40-C43 PolarHBondContact O-N 2.83Å
41E95.2Very high95.8Very high101 Ų10159.4 Ų59.447%0.47228%0.282SS..G310 helixtrans-71.5-18.1179-62.1-169.7179.500113.8W39 R100 Y101W39-E41 PolarHBondContact O-N 2.97Å; E41-R100 IonicContact OE2-NH2 3.14Å; E41-Y101 PolarHBondContact OE2-OH 3.37Å
42L97.4Very high95.7Very high0 Ų061.6 Ų61.60%029%0.292CS..G310 helixtrans-100.33.2-179.3-57.7177.3000112.9W39 P40 G59 T61 L94 V97 F98 Y101W39-L42 HydrophobicContact CB-CB 4.04Å; W39-L42 HydrophobicContact CB-CD1 3.98Å; W39-L42 HydrophobicContact CB-CG 4.25Å; W39-L42 HydrophobicContact CG-CD1 4.1Å; W39-L42 PolarHBondContact O-N 3.19Å; P40-L42 VanDerWaalsContact C-N 3.25Å; P40-L42 PolarHBondContact O-N 3.39Å; L42-G59 WeakPolarHBondContact CB-O 3.41Å; L42-G59 PolarHBondContact O-N 2.8Å; L42-T61 HydrophobicContact CD1-CG2 4.03Å; L42-L94 HydrophobicContact CB-CD2 4.13Å; L42-L94 HydrophobicContact CD2-CD2 3.96Å; L42-L94 WeakPolarHBondContact O-CD2 3.21Å; L42-V97 HydrophobicContact CD2-CB 3.81Å; L42-V97 HydrophobicContact CD2-CG1 3.49Å; L42-V97 VanDerWaalsContact CD2-CG1 3.49Å; L42-F98 HydrophobicContact CD1-CD1 4.39Å; L42-F98 HydrophobicContact CD1-CE1 3.55Å; L42-F98 HydrophobicContact CD1-CZ 4.22Å; L42-F98 HydrophobicContact CD2-CD1 4Å; L42-F98 HydrophobicContact CD2-CE1 3.61Å; L42-F98 HydrophobicContact CD2-CZ 4.04Å; L42-F98 HydrophobicContact CG-CE1 4.22Å; L42-Y101 HydrophobicContact CD1-CE2 4.29Å; L42-Y101 HydrophobicContact CD2-CE2 4.2Å; L42-Y101 HydrophobicContact CG-CE2 4.34Å
43C97.7Very high95.8Very high0 Ų061.7 Ų61.70%029%0.294CS..EExtended strand (participates in β ladder)trans-109.6111.8176.2-60.20000108.6F7 L36 W39 P40 I57 L58F7-C43 HydrophobicContact CB-CB 3.76Å; F7-C43 WeakPolarHBondContact CB-O 3.17Å; F7-C43 PolarHBondContact N-O 3.3Å; L36-C43 HydrophobicContact CD2-CB 3.67Å; W39-C43 PolarHBondContact O-N 3.24Å; W39-C43 PolarHBondContact O-SG 2.98Å; W39-C43 VanDerWaalsContact O-SG 3.32Å; P40-C43 PolarHBondContact O-N 2.83Å; C43-I57 WeakPolarHBondContact CA-O 3.18Å; C43-L58 HydrophobicContact CB-CD2 3.97Å
44L98Very high95.8Very high19 Ų1959.1 Ų59.110%0.09928%0.281CS..EExtended strand (participates in β ladder)trans-128151.6-176.3-55.1171.9000111.2I4 R5 Y56 I57 L90 Q93 L94I4-L44 HydrophobicContact CG2-CB 4.21Å; I4-L44 HydrophobicContact CG2-CD1 4.18Å; R5-L44 WeakPolarHBondContact O-CA 3.29Å; L44-Y56 CarbonylContact O-C 3.57Å; L44-Y56 WeakPolarHBondContact O-CA 3.42Å; L44-I57 HydrophobicContact CB-CG2 3.77Å; L44-I57 HydrophobicContact CD1-CG2 4.46Å; L44-I57 HydrophobicContact CG-CG2 4.38Å; L44-I57 PolarHBondContact N-O 2.59Å; L44-I57 PolarHBondContact O-N 3.41Å; L44-L90 HydrophobicContact CB-CD2 4.04Å; L44-Q93 HydrophobicContact CD1-CB 3.78Å; L44-L94 HydrophobicContact CD1-CD2 4.01Å; L44-L94 HydrophobicContact CG-CD2 4.38Å
45V97.7Very high95.9Very high0 Ų054.7 Ų54.70%026%0.261CS..EExtended strand (participates in β ladder)trans-121.1151.7169.6-61.30000110.7I4 R5 F7 L53 A55I4-V45 WeakPolarHBondContact CA-O 3.11Å; R5-V45 HydrophobicContact CG-CG2 3.64Å; R5-V45 PolarHBondContact N-O 2.83Å; R5-V45 VanDerWaalsContact N-O 3.12Å; R5-V45 PolarHBondContact O-N 3Å; F7-V45 HydrophobicContact CB-CG1 3.97Å; F7-V45 HydrophobicContact CD2-CG1 3.3Å; F7-V45 HydrophobicContact CE2-CG1 3.83Å; F7-V45 HydrophobicContact CG-CG1 3.7Å; V45-L53 HydrophobicContact CB-CD2 4.1Å; V45-L53 HydrophobicContact CG2-CD2 4.07Å; V45-A55 WeakPolarHBondContact CA-O 3.48Å
46A97.7Very high95.9Very high0 Ų054.2 Ų54.20%026%0.259CS..EExtended strand (participates in β ladder)trans-108.5127.8168.100000109T2 T3 M54 A55 I86 L90T2-A46 HydrophobicContact CG2-CB 3.82Å; T3-A46 WeakPolarHBondContact O-CA 3.29Å; A46-M54 PolarHBondContact O-N 3.41Å; A46-A55 HydrophobicContact CB-CB 4.14Å; A46-A55 PolarHBondContact N-O 2.83Å; A46-A55 PolarHBondContact O-N 3.21Å; A46-I86 HydrophobicContact CB-CG2 3.54Å; A46-L90 HydrophobicContact CB-CD1 4.26Å; A46-L90 HydrophobicContact CB-CD2 4.31Å; A46-L90 HydrophobicContact CB-CG 4.46Å
47E96.4Very high96Very high31 Ų3153.2 Ų53.215%0.14525%0.253CS..EExtended strand (participates in β ladder)trans-126.8144.9-175.8-170.8172-163.100110.2T3 R5 G51 E52 L53T3-E47 PolarHBondContact N-O 3.01Å; T3-E47 PolarHBondContact O-N 3.24Å; R5-E47 IonicContact CZ-OE2 3.35Å; R5-E47 IonicContact NE-OE2 2.78Å; R5-E47 PolarHBondContact NE-OE2 3.31Å; R5-E47 IonicContact NH2-OE2 3.29Å; R5-E47 PolarHBondContact NH2-OE2 3.39Å; E47-G51 WeakPolarHBondContact OE1-CA 3.16Å; E47-E52 WeakPolarHBondContact CA-O 3.25Å; E47-L53 HydrophobicContact CB-CD2 4.24Å; E47-L53 HydrophobicContact CG-CD2 4.3Å
48N94.7Very high96.1Very high23 Ų2346.6 Ų46.612%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-85.8175.617575.513.8000111.7R50 G51 E52 M54N48-R50 PolarHBondContact O-N 3.49Å; N48-R50 VanDerWaalsContact O-N 3.08Å; N48-R50 WeakPolarHBondContact OD1-CA 3.29Å; N48-R50 WeakPolarHBondContact OD1-CB 3.26Å; N48-R50 PolarHBondContact OD1-N 3.45Å; N48-G51 PolarHBondContact O-N 2.97Å; N48-G51 VanDerWaalsContact O-N 3.1Å; N48-G51 PolarHBondContact OD1-N 3.23Å; N48-E52 PolarHBondContact N-O 3.33Å; N48-E52 PolarHBondContact ND2-OE2 3.13Å; N48-E52 PolarHBondContact OD1-N 3.44Å; N48-M54 HydrophobicContact CB-CE 4.45Å; N48-M54 HydrophobicContact CB-CG 3.96Å; N48-M54 HydrophobicContact CB-SD 3.65Å
49M93.4Very high96.2Very high148 Ų14838.7 Ų38.773%0.72919%0.188SC*.THydrogen-bonded Turntrans-61.8-17.2178.9-65-177.8176.600114.6M1M1-M49 HydrophobicContact CB-CE 3.21Å; M1-M49 HydrophobicContact CB-CG 3.99Å; M1-M49 HydrophobicContact CB-SD 4.34Å; M1-M49 HydrophobicContact CG-CE 4.21Å; M1-M49 HydrophobicContact SD-CE 3.97Å
50R93.3Very high96.2Very high214 Ų21437.5 Ų37.581%0.80818%0.184SC*.THydrogen-bonded Turntrans-90.8-3.8179.8-61.5-176.9174.7-155.5-1.9112.9N48 E52N48-R50 PolarHBondContact O-N 3.49Å; N48-R50 VanDerWaalsContact O-N 3.08Å; N48-R50 WeakPolarHBondContact OD1-CA 3.29Å; N48-R50 WeakPolarHBondContact OD1-CB 3.26Å; N48-R50 PolarHBondContact OD1-N 3.45Å; R50-E52 HydrophobicContact CB-CG 4.25Å
51G91.9Very high96.2Very high32 Ų3235 Ų3533%0.3317%0.168SC..SBendtrans84.416.4-175.400000114.2E47 N48E47-G51 WeakPolarHBondContact OE1-CA 3.16Å; N48-G51 PolarHBondContact O-N 2.97Å; N48-G51 VanDerWaalsContact O-N 3.1Å; N48-G51 PolarHBondContact OD1-N 3.23Å
52E93.8Very high96.2Very high94 Ų9432.7 Ų32.744%0.43916%0.157SC..  trans-90129.5177.3-56.7168.2161.200109.5E47 N48 R50 M54E47-E52 WeakPolarHBondContact CA-O 3.25Å; N48-E52 PolarHBondContact N-O 3.33Å; N48-E52 PolarHBondContact ND2-OE2 3.13Å; N48-E52 PolarHBondContact OD1-N 3.44Å; R50-E52 HydrophobicContact CB-CG 4.25Å; E52-M54 PolarHBondContact O-N 2.88Å
53L95.9Very high96Very high14 Ų1434 Ų347%0.07317%0.171CC..EExtended strand (participates in β ladder)trans-69.3124.4174.9-62.2-173000109.9D11 K14 I15 I18 V45 E47D11-L53 HydrophobicContact CB-CD1 3.82Å; K14-L53 HydrophobicContact CB-CD1 3.61Å; K14-L53 HydrophobicContact CB-CG 4.21Å; K14-L53 HydrophobicContact CD-CD1 4.23Å; K14-L53 HydrophobicContact CD-CG 4.33Å; I15-L53 HydrophobicContact CG2-CD1 3.99Å; I18-L53 HydrophobicContact CD1-CB 4.03Å; V45-L53 HydrophobicContact CB-CD2 4.1Å; V45-L53 HydrophobicContact CG2-CD2 4.07Å; E47-L53 HydrophobicContact CB-CD2 4.24Å; E47-L53 HydrophobicContact CG-CD2 4.3Å
54M96Very high95.7Very high8 Ų842.1 Ų42.14%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-97.6-35.3-179.5-54.1171.581.200111.7T2 A46 N48 E52 D78 F81 L84 I86T2-M54 HydrophobicContact CG2-SD 3.94Å; A46-M54 PolarHBondContact O-N 3.41Å; N48-M54 HydrophobicContact CB-CE 4.45Å; N48-M54 HydrophobicContact CB-CG 3.96Å; N48-M54 HydrophobicContact CB-SD 3.65Å; E52-M54 PolarHBondContact O-N 2.88Å; M54-D78 WeakPolarHBondContact O-CB 3.23Å; M54-D78 PolarHBondContact O-N 2.99Å; M54-F81 HydrophobicContact CB-CB 4.06Å; M54-F81 HydrophobicContact CB-CD2 3.88Å; M54-F81 HydrophobicContact CB-CG 3.97Å; M54-F81 HydrophobicContact CE-CB 3.95Å; M54-F81 HydrophobicContact CE-CD1 3.35Å; M54-F81 HydrophobicContact CE-CE1 3.96Å; M54-F81 HydrophobicContact CE-CG 3.7Å; M54-F81 HydrophobicContact CG-CD1 4.26Å; M54-F81 HydrophobicContact CG-CD2 3.91Å; M54-F81 HydrophobicContact CG-CE1 4.48Å; M54-F81 HydrophobicContact CG-CE2 4.17Å; M54-F81 HydrophobicContact CG-CG 3.97Å; M54-F81 HydrophobicContact CG-CZ 4.45Å; M54-L84 HydrophobicContact CE-CD1 4.23Å; M54-I86 HydrophobicContact CB-CD1 3.98Å; M54-I86 HydrophobicContact CE-CD1 3.38Å; M54-I86 HydrophobicContact SD-CD1 4.09Å
55A97.1Very high95.4Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-161.1163-178.400000110.7V45 A46 S76 T77 I86 L90V45-A55 WeakPolarHBondContact CA-O 3.48Å; A46-A55 HydrophobicContact CB-CB 4.14Å; A46-A55 PolarHBondContact N-O 2.83Å; A46-A55 PolarHBondContact O-N 3.21Å; A55-S76 CarbonylContact C-O 3.59Å; A55-S76 WeakPolarHBondContact CA-O 3.48Å; A55-S76 WeakPolarHBondContact CB-O 3.38Å; A55-T77 HydrophobicContact CB-CG2 4.17Å; A55-I86 HydrophobicContact CB-CG2 3.57Å; A55-L90 HydrophobicContact CB-CD1 3.65Å
56Y97.5Very high95Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-139.6161167.571.4-92.3000110.8F7 I15 I18 N19 T24 L44 L58 A74 V75 S76F7-Y56 HydrophobicContact CE2-CD2 4.21Å; F7-Y56 HydrophobicContact CE2-CG 4.05Å; I15-Y56 HydrophobicContact CB-CD1 4.18Å; I15-Y56 HydrophobicContact CB-CE1 4.2Å; I15-Y56 HydrophobicContact CD1-CE1 4.48Å; I15-Y56 HydrophobicContact CG2-CD1 3.85Å; I15-Y56 HydrophobicContact CG2-CE1 4.35Å; I15-Y56 HydrophobicContact CG2-CG 4.39Å; I18-Y56 HydrophobicContact CB-CD1 4.39Å; I18-Y56 HydrophobicContact CB-CE1 4.22Å; I18-Y56 HydrophobicContact CD1-CD1 4.09Å; I18-Y56 HydrophobicContact CG2-CD1 3.92Å; I18-Y56 HydrophobicContact CG2-CE1 3.7Å; N19-Y56 WeakPolarHBondContact OD1-CE1 3.37Å; N19-Y56 PolarHBondContact OD1-OH 2.76Å; T24-Y56 WeakPolarHBondContact CG2-OH 3.24Å; L44-Y56 CarbonylContact O-C 3.57Å; L44-Y56 WeakPolarHBondContact O-CA 3.42Å; Y56-L58 HydrophobicContact CD2-CD2 4.48Å; Y56-L58 HydrophobicContact CD2-CG 4.02Å; Y56-L58 HydrophobicContact CE2-CD1 4.18Å; Y56-L58 HydrophobicContact CE2-CG 4.11Å; Y56-A74 HydrophobicContact CE2-CB 3.93Å; Y56-V75 WeakPolarHBondContact O-CA 3.23Å; Y56-S76 PolarHBondContact N-O 2.88Å; Y56-S76 PolarHBondContact O-N 2.98Å; Y56-S76 VanDerWaalsContact O-N 3.09Å
57I97.7Very high94.6Very high0 Ų052.3 Ų52.30%027%0.273CS..EExtended strand (participates in β ladder)trans-137.5138171.9-166.5165.3000109.5C43 L44 I72 A74 V75 L90 M91 L94C43-I57 WeakPolarHBondContact CA-O 3.18Å; L44-I57 HydrophobicContact CB-CG2 3.77Å; L44-I57 HydrophobicContact CD1-CG2 4.46Å; L44-I57 HydrophobicContact CG-CG2 4.38Å; L44-I57 PolarHBondContact N-O 2.59Å; L44-I57 PolarHBondContact O-N 3.41Å; I57-I72 HydrophobicContact CD1-CD1 4.42Å; I57-I72 HydrophobicContact CD1-CG2 4.17Å; I57-I72 HydrophobicContact CG1-CG2 4.09Å; I57-A74 CarbonylContact C-O 3.6Å; I57-A74 VanDerWaalsContact CA-O 3.3Å; I57-A74 WeakPolarHBondContact CA-O 3.25Å; I57-V75 HydrophobicContact CB-CB 4.49Å; I57-V75 HydrophobicContact CB-CG2 4.32Å; I57-V75 HydrophobicContact CD1-CB 4.17Å; I57-V75 HydrophobicContact CD1-CG2 4.07Å; I57-V75 HydrophobicContact CG1-CB 3.98Å; I57-V75 HydrophobicContact CG1-CG2 4.16Å; I57-L90 HydrophobicContact CB-CB 4.12Å; I57-L90 HydrophobicContact CB-CD1 4.35Å; I57-L90 HydrophobicContact CD1-CB 4.19Å; I57-L90 HydrophobicContact CG2-CB 3.92Å; I57-L90 HydrophobicContact CG2-CD1 4.48Å; I57-L90 HydrophobicContact CG2-CD2 4.05Å; I57-L90 HydrophobicContact CG2-CG 4.37Å; I57-M91 HydrophobicContact CD1-CB 4.48Å; I57-M91 HydrophobicContact CD1-CG 3.81Å; I57-L94 HydrophobicContact CB-CD1 4.43Å; I57-L94 HydrophobicContact CD1-CD1 3.45Å; I57-L94 VanDerWaalsContact CD1-CD1 3.45Å; I57-L94 HydrophobicContact CD1-CG 4.05Å; I57-L94 HydrophobicContact CG1-CD1 3.58Å; I57-L94 HydrophobicContact CG1-CG 4.45Å; I57-L94 HydrophobicContact CG2-CD1 4.03Å; I57-L94 HydrophobicContact CG2-CG 4.17Å
58L97.6Very high94.6Very high2 Ų254.1 Ų54.11%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-120.6118174.1-57.6178.5000108.5F7 Y32 Y35 C43 Y56 T73 A74F7-L58 HydrophobicContact CD2-CD2 4.1Å; F7-L58 HydrophobicContact CE2-CD2 4.4Å; Y32-L58 HydrophobicContact CD1-CD1 3.61Å; Y32-L58 HydrophobicContact CE1-CD1 3.63Å; Y35-L58 HydrophobicContact CD1-CB 4.17Å; C43-L58 HydrophobicContact CB-CD2 3.97Å; Y56-L58 HydrophobicContact CD2-CD2 4.48Å; Y56-L58 HydrophobicContact CD2-CG 4.02Å; Y56-L58 HydrophobicContact CE2-CD1 4.18Å; Y56-L58 HydrophobicContact CE2-CG 4.11Å; L58-T73 PolarHBondContact O-N 2.88Å; L58-A74 HydrophobicContact CB-CB 4.34Å; L58-A74 HydrophobicContact CD1-CB 4.26Å; L58-A74 HydrophobicContact CG-CB 4.43Å; L58-A74 PolarHBondContact N-O 2.54Å; L58-A74 PolarHBondContact O-N 2.88Å
59G97.5Very high94.7Very high0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-115.4160.2172.100000111.9L42 H71L42-G59 WeakPolarHBondContact CB-O 3.41Å; L42-G59 PolarHBondContact O-N 2.8Å; G59-H71 CarbonylContact C-O 3.59Å; G59-H71 VanDerWaalsContact CA-O 3.26Å; G59-H71 WeakPolarHBondContact CA-O 3.49Å
60K97.4Very high95Very high29 Ų2946.6 Ų46.613%0.12624%0.242CC..EExtended strand (participates in β ladder)trans-139.4168.7166.560.1169.4173.3160.20109.5Y35 W39 E62 G70 H71 F98Y35-K60 HydrophobicContact CE1-CB 3.92Å; Y35-K60 HydrophobicContact CE1-CD 4.32Å; Y35-K60 HydrophobicContact CE1-CG 4.11Å; Y35-K60 WeakPolarHBondContact OH-CD 3.06Å; W39-K60 HydrophobicContact CD2-CB 3.5Å; W39-K60 HydrophobicContact CE3-CB 3.55Å; W39-K60 HydrophobicContact CG-CB 4.13Å; W39-K60 HydrophobicContact CH2-CB 3.86Å; W39-K60 HydrophobicContact CH2-CD 4.2Å; W39-K60 HydrophobicContact CZ2-CB 3.79Å; W39-K60 HydrophobicContact CZ3-CB 3.74Å; W39-K60 HydrophobicContact CZ3-CD 4.43Å; K60-E62 VanDerWaalsContact CE-OE1 3.26Å; K60-E62 WeakPolarHBondContact CE-OE1 3.43Å; K60-E62 WeakPolarHBondContact CE-OE2 3.5Å; K60-E62 VanDerWaalsContact NZ-CD 3.26Å; K60-E62 IonicContact NZ-OE1 3.95Å; K60-E62 PolarHBondContact NZ-OE1 3.02Å; K60-E62 VanDerWaalsContact NZ-OE1 3.16Å; K60-E62 IonicContact NZ-OE2 3.47Å; K60-E62 PolarHBondContact NZ-OE2 3.27Å; K60-G70 CarbonylContact O-C 3.59Å; K60-G70 WeakPolarHBondContact O-CA 3.38Å; K60-H71 WeakPolarHBondContact CE-CD2 3.45Å; K60-H71 HydrophobicContact CG-CB 3.88Å; K60-H71 PolarHBondContact N-O 3.38Å; K60-H71 PolarHBondContact O-N 3.32Å; K60-F98 WeakPolarHBondContact O-CE1 3.3Å
61T97Very high95.2Very high21 Ų2137 Ų3713%0.12921%0.206CC..EExtended strand (participates in β ladder)trans-110.1144.316549.30000110.4W39 L42 Y68 H69 F98 Y101W39-T61 PolarHBondContact NE1-OG1 3.42Å; W39-T61 VanDerWaalsContact NE1-OG1 3.13Å; L42-T61 HydrophobicContact CD1-CG2 4.03Å; T61-Y68 WeakPolarHBondContact CB-OH 3.46Å; T61-Y68 PolarHBondContact OG1-OH 2.81Å; T61-H69 WeakPolarHBondContact CA-O 3.33Å; T61-F98 HydrophobicContact CG2-CD1 4.03Å; T61-F98 HydrophobicContact CG2-CE1 3.98Å; T61-Y101 HydrophobicContact CG2-CD2 3.78Å; T61-Y101 HydrophobicContact CG2-CE2 4.41Å
62E94.9Very high95.4Very high52 Ų5235.8 Ų35.824%0.24319%0.192CC..EExtended strand (participates in β ladder)trans-154.3171.2177.866.5-167.6152.100112.7K60 Y68 H69 H71K60-E62 VanDerWaalsContact CE-OE1 3.26Å; K60-E62 WeakPolarHBondContact CE-OE1 3.43Å; K60-E62 WeakPolarHBondContact CE-OE2 3.5Å; K60-E62 VanDerWaalsContact NZ-CD 3.26Å; K60-E62 IonicContact NZ-OE1 3.95Å; K60-E62 PolarHBondContact NZ-OE1 3.02Å; K60-E62 VanDerWaalsContact NZ-OE1 3.16Å; K60-E62 IonicContact NZ-OE2 3.47Å; K60-E62 PolarHBondContact NZ-OE2 3.27Å; E62-Y68 WeakPolarHBondContact O-CA 3.4Å; E62-Y68 WeakPolarHBondContact O-CD2 3.32Å; E62-H69 VanDerWaalsContact CG-CE1 3.42Å; E62-H69 WeakPolarHBondContact CG-CE1 3.3Å; E62-H69 WeakPolarHBondContact CG-NE2 3.34Å; E62-H69 PolarHBondContact N-O 2.84Å; E62-H69 PolarHBondContact O-N 3.28Å; E62-H69 PolarHBondContact O-ND1 3.17Å; E62-H69 IonicContact OE1-NE2 3.79Å; E62-H71 HydrophobicContact CG-CB 4.45Å; E62-H71 WeakPolarHBondContact OE1-CB 3.01Å; E62-H71 IonicContact OE1-CD2 2.61Å; E62-H71 IonicContact OE1-CG 3.75Å; E62-H71 VanDerWaalsContact OE1-CG 3.29Å; E62-H71 IonicContact OE1-ND1 2.76Å
63G92.6Very high95.5Very high28 Ų2832.3 Ų32.329%0.28918%0.177SC..  trans85.1178.7-177.200000114.4Y68G63-Y68 WeakPolarHBondContact O-CD2 3.48Å
64E91Very high95.5Very high169 Ų16932.2 Ų32.279%0.7918%0.178SC*.  trans-138.1157.3178.5-62.9-171.5172.300111E66 N67 Y68E64-E66 PolarHBondContact O-N 2.85Å; E64-N67 CarbonylContact O-C 3.54Å; E64-N67 WeakPolarHBondContact O-CA 3.45Å; E64-N67 WeakPolarHBondContact O-CB 3.29Å; E64-N67 PolarHBondContact O-N 2.8Å; E64-Y68 PolarHBondContact O-N 3.12Å
65G91.9Very high95.5Very high58 Ų5833 Ų3360%0.59818%0.184SC*.G310 helixtrans58.5-131.5176.300000113.7N67 Y68 Y104G65-N67 PolarHBondContact O-N 3.16Å; G65-Y68 PolarHBondContact O-N 2.95Å; G65-Y104 VanDerWaalsContact O-CE2 3.24Å; G65-Y104 WeakPolarHBondContact O-CE2 3.35Å
66E89Confident95.5Very high103 Ų10333.5 Ų33.548%0.48119%0.187SC..G310 helixtrans-69.3-11.7175.5-63.8-167.6171.300113.1E64 Y104 R158E64-E66 PolarHBondContact O-N 2.85Å; E66-Y104 HydrophobicContact CB-CD1 4.42Å; E66-Y104 HydrophobicContact CB-CE1 4.11Å; E66-Y104 HydrophobicContact CG-CE1 4.01Å; E66-Y104 WeakPolarHBondContact O-CB 3.39Å; E66-R158 IonicContact OE1-CZ 3.03Å; E66-R158 IonicContact OE1-NH1 3.83Å; E66-R158 PolarHBondContact OE1-NH1 2.95Å; E66-R158 IonicContact OE2-CZ 3.68Å; E66-R158 IonicContact OE2-NH1 2.97Å; E66-R158 PolarHBondContact OE2-NH1 3.46Å
67N91.1Very high95.4Very high72 Ų7234.3 Ų34.339%0.38519%0.192SC..G310 helixtrans-93.7-1.5175.5-72.5-23000113E64 G65 H69E64-N67 CarbonylContact O-C 3.54Å; E64-N67 WeakPolarHBondContact O-CA 3.45Å; E64-N67 WeakPolarHBondContact O-CB 3.29Å; E64-N67 PolarHBondContact O-N 2.8Å; G65-N67 PolarHBondContact O-N 3.16Å; N67-H69 PolarHBondContact O-N 3.41Å; N67-H69 PolarHBondContact O-ND1 3.36Å
68Y96.2Very high95.2Very high69 Ų6934.5 Ų34.527%0.27119%0.193SC..  trans-65.9118.6176.8-175-120.7000110.9T61 E62 G63 E64 G65 Y101 C103 Y104T61-Y68 WeakPolarHBondContact CB-OH 3.46Å; T61-Y68 PolarHBondContact OG1-OH 2.81Å; E62-Y68 WeakPolarHBondContact O-CA 3.4Å; E62-Y68 WeakPolarHBondContact O-CD2 3.32Å; G63-Y68 WeakPolarHBondContact O-CD2 3.48Å; E64-Y68 PolarHBondContact O-N 3.12Å; G65-Y68 PolarHBondContact O-N 2.95Å; Y68-Y101 VanDerWaalsContact CE1-O 3.28Å; Y68-Y101 WeakPolarHBondContact CE1-O 3.26Å; Y68-C103 WeakPolarHBondContact O-CA 3.44Å; Y68-Y104 PolarHBondContact O-N 2.88Å
69H97.2Very high94.9Very high14 Ų1437.5 Ų37.57%0.06521%0.213CC..EExtended strand (participates in β ladder)trans-145.8164.5-170.167.3-78.6000113.3T61 E62 N67 Y105 D107T61-H69 WeakPolarHBondContact CA-O 3.33Å; E62-H69 VanDerWaalsContact CG-CE1 3.42Å; E62-H69 WeakPolarHBondContact CG-CE1 3.3Å; E62-H69 WeakPolarHBondContact CG-NE2 3.34Å; E62-H69 PolarHBondContact N-O 2.84Å; E62-H69 PolarHBondContact O-N 3.28Å; E62-H69 PolarHBondContact O-ND1 3.17Å; E62-H69 IonicContact OE1-NE2 3.79Å; N67-H69 PolarHBondContact O-N 3.41Å; N67-H69 PolarHBondContact O-ND1 3.36Å; H69-Y105 WeakPolarHBondContact CA-O 3.45Å; H69-Y105 HydrophobicContact CB-CD1 3.79Å; H69-Y105 HydrophobicContact CB-CD2 3.67Å; H69-Y105 HydrophobicContact CB-CE1 3.67Å; H69-Y105 HydrophobicContact CB-CE2 3.55Å; H69-Y105 HydrophobicContact CB-CG 3.8Å; H69-Y105 VanDerWaalsContact CB-O 3.29Å; H69-Y105 WeakPolarHBondContact CB-O 3.28Å; H69-Y105 AromaticContact CD2-CE2 3.53Å; H69-Y105 AromaticContact CD2-CZ 3.96Å; H69-Y105 AromaticContact CG-CE2 3.43Å; H69-Y105 VanDerWaalsContact CG-CE2 3.43Å; H69-Y105 AromaticContact CG-CZ 3.45Å; H69-Y105 VanDerWaalsContact CG-CZ 3.45Å; H69-Y105 AromaticContact ND1-CE2 3.98Å; H69-Y105 AromaticContact ND1-CZ 3.59Å; H69-Y105 PolarHBondContact ND1-OH 3.41Å; H69-D107 IonicContact CD2-OD1 3.79Å; H69-D107 PolarHBondContact CD2-OD1 3.31Å; H69-D107 VanDerWaalsContact CD2-OD1 3.28Å; H69-D107 IonicContact CD2-OD2 2.81Å; H69-D107 IonicContact NE2-OD1 3.28Å; H69-D107 IonicContact NE2-OD2 3.5Å
70G97.7Very high94.7Very high0 Ų043.2 Ų43.20%024%0.243CC..EExtended strand (participates in β ladder)trans-91.7134.6169.100000110.9K60 Y105 V106 D107K60-G70 CarbonylContact O-C 3.59Å; K60-G70 WeakPolarHBondContact O-CA 3.38Å; G70-Y105 PolarHBondContact N-O 2.85Å; G70-V106 CarbonylContact O-C 3.54Å; G70-V106 WeakPolarHBondContact O-CA 3.47Å; G70-V106 WeakPolarHBondContact O-CG1 3.34Å; G70-D107 PolarHBondContact O-N 2.98Å
71H97.8Very high94.5Very high13 Ų1343.6 Ų43.66%0.0625%0.245CC..EExtended strand (participates in β ladder)trans-115.8123.7176.6-179.179.2000110.7G59 K60 E62 T73 D107 F109G59-H71 CarbonylContact C-O 3.59Å; G59-H71 VanDerWaalsContact CA-O 3.26Å; G59-H71 WeakPolarHBondContact CA-O 3.49Å; K60-H71 WeakPolarHBondContact CE-CD2 3.45Å; K60-H71 HydrophobicContact CG-CB 3.88Å; K60-H71 PolarHBondContact N-O 3.38Å; K60-H71 PolarHBondContact O-N 3.32Å; E62-H71 HydrophobicContact CG-CB 4.45Å; E62-H71 WeakPolarHBondContact OE1-CB 3.01Å; E62-H71 IonicContact OE1-CD2 2.61Å; E62-H71 IonicContact OE1-CG 3.75Å; E62-H71 VanDerWaalsContact OE1-CG 3.29Å; E62-H71 IonicContact OE1-ND1 2.76Å; H71-T73 PolarHBondContact CD2-OG1 2.87Å; H71-T73 PolarHBondContact O-N 2.94Å; H71-D107 VanDerWaalsContact CA-OD1 3.25Å; H71-D107 WeakPolarHBondContact CA-OD1 3.38Å; H71-D107 VanDerWaalsContact CB-OD1 3.29Å; H71-D107 WeakPolarHBondContact CB-OD1 3.48Å; H71-D107 IonicContact CE1-OD1 2.8Å; H71-D107 IonicContact CG-OD1 3.57Å; H71-D107 IonicContact ND1-OD1 3.01Å; H71-D107 PolarHBondContact ND1-OD1 3.09Å; H71-D107 IonicContact ND1-OD2 2.64Å; H71-D107 PolarHBondContact ND1-OD2 3.34Å; H71-F109 AromaticContact CE1-CD2 3.58Å; H71-F109 AromaticContact CE1-CE2 3.55Å
72I97.7Very high94.2Very high6 Ų647.4 Ų47.43%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-88.1105.8173.6-60171000108.2I57 V75 M91 L94 V106 D107 L108I57-I72 HydrophobicContact CD1-CD1 4.42Å; I57-I72 HydrophobicContact CD1-CG2 4.17Å; I57-I72 HydrophobicContact CG1-CG2 4.09Å; I72-V75 HydrophobicContact CG2-CB 4.27Å; I72-V75 HydrophobicContact CG2-CG1 4.28Å; I72-M91 HydrophobicContact CD1-CE 3.36Å; I72-M91 HydrophobicContact CD1-CG 4.19Å; I72-L94 HydrophobicContact CG1-CD1 4.4Å; I72-V106 HydrophobicContact CD1-CG1 3.73Å; I72-V106 HydrophobicContact CG1-CG1 3.79Å; I72-D107 PolarHBondContact N-O 3.44Å; I72-L108 HydrophobicContact CB-CB 4.13Å; I72-L108 HydrophobicContact CD1-CD2 4.37Å
73T96Very high94Very high20 Ų2055.8 Ų55.812%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-79-37.8-177.9-58.10000112.3Y27 F31 Y35 L58 H71Y27-T73 HydrophobicContact CE2-CG2 4.39Å; Y27-T73 PolarHBondContact OH-O 3.26Å; F31-T73 HydrophobicContact CE1-CG2 3.74Å; F31-T73 HydrophobicContact CZ-CG2 3.68Å; Y35-T73 HydrophobicContact CE1-CG2 3.98Å; Y35-T73 WeakPolarHBondContact CE1-OG1 3.49Å; Y35-T73 HydrophobicContact CE2-CG2 4.44Å; Y35-T73 VanDerWaalsContact CZ-OG1 3.26Å; Y35-T73 WeakPolarHBondContact OH-CB 3.41Å; Y35-T73 VanDerWaalsContact OH-CG2 3.23Å; Y35-T73 WeakPolarHBondContact OH-CG2 3.42Å; Y35-T73 PolarHBondContact OH-OG1 2.91Å; L58-T73 PolarHBondContact O-N 2.88Å; H71-T73 PolarHBondContact CD2-OG1 2.87Å; H71-T73 PolarHBondContact O-N 2.94Å
74A95.5Very high94Very high12 Ų1260 Ų6010%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-152.6137.1178.600000110.1Y27 Y56 I57 L58Y27-A74 HydrophobicContact CE2-CB 4.23Å; Y56-A74 HydrophobicContact CE2-CB 3.93Å; I57-A74 CarbonylContact C-O 3.6Å; I57-A74 VanDerWaalsContact CA-O 3.3Å; I57-A74 WeakPolarHBondContact CA-O 3.25Å; L58-A74 HydrophobicContact CB-CB 4.34Å; L58-A74 HydrophobicContact CD1-CB 4.26Å; L58-A74 HydrophobicContact CG-CB 4.43Å; L58-A74 PolarHBondContact N-O 2.54Å; L58-A74 PolarHBondContact O-N 2.88Å
75V96.1Very high94.2Very high26 Ų2654.1 Ų54.116%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-140.6118.5165.758.90000107.8Y56 I57 I72 A87 Y121Y56-V75 WeakPolarHBondContact O-CA 3.23Å; I57-V75 HydrophobicContact CB-CB 4.49Å; I57-V75 HydrophobicContact CB-CG2 4.32Å; I57-V75 HydrophobicContact CD1-CB 4.17Å; I57-V75 HydrophobicContact CD1-CG2 4.07Å; I57-V75 HydrophobicContact CG1-CB 3.98Å; I57-V75 HydrophobicContact CG1-CG2 4.16Å; I72-V75 HydrophobicContact CG2-CB 4.27Å; I72-V75 HydrophobicContact CG2-CG1 4.28Å; V75-A87 HydrophobicContact CG2-CB 4.17Å; V75-Y121 HydrophobicContact CG1-CE1 4.2Å; V75-Y121 WeakPolarHBondContact CG1-OH 3.4Å
76S96.1Very high94.3Very high9 Ų951.7 Ų51.76%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-137.9137-174.1-63.50000110T24 A55 Y56T24-S76 WeakPolarHBondContact CB-OG 3.31Å; T24-S76 WeakPolarHBondContact CG2-OG 3.24Å; T24-S76 WeakPolarHBondContact OG1-CB 3.5Å; T24-S76 PolarHBondContact OG1-OG 2.95Å; A55-S76 CarbonylContact C-O 3.59Å; A55-S76 WeakPolarHBondContact CA-O 3.48Å; A55-S76 WeakPolarHBondContact CB-O 3.38Å; Y56-S76 PolarHBondContact N-O 2.88Å; Y56-S76 PolarHBondContact O-N 2.98Å; Y56-S76 VanDerWaalsContact O-N 3.09Å
77T95.3Very high94.6Very high17 Ų1748 Ų4810%0.10425%0.247CC..EExtended strand (participates in β ladder)trans-123.5129.1178.2-57.40000108A55 F81 R82 I86A55-T77 HydrophobicContact CB-CG2 4.17Å; T77-F81 HydrophobicContact CG2-CB 4.37Å; T77-R82 HydrophobicContact CG2-CG 4.23Å; T77-R82 PolarHBondContact O-NE 3.26Å; T77-R82 PolarHBondContact O-NH2 3.01Å; T77-I86 HydrophobicContact CG2-CD1 4.48Å
78D94Very high94.8Very high4 Ų445 Ų452%0.02123%0.232CC..  trans-47.9130.1172-174.2-38.7000109.4K17 I18 M54 D80 F81 R82K17-D78 VanDerWaalsContact CD-OD2 3.29Å; K17-D78 WeakPolarHBondContact CD-OD2 3.48Å; K17-D78 WeakPolarHBondContact CE-OD2 3.29Å; K17-D78 IonicContact NZ-OD1 3.37Å; K17-D78 PolarHBondContact NZ-OD1 3.14Å; K17-D78 IonicContact NZ-OD2 2.72Å; K17-D78 PolarHBondContact NZ-OD2 3.32Å; I18-D78 HydrophobicContact CG1-CB 4.1Å; M54-D78 WeakPolarHBondContact O-CB 3.23Å; M54-D78 PolarHBondContact O-N 2.99Å; D78-D80 PolarHBondContact O-N 3.02Å; D78-D80 VanDerWaalsContact O-N 3.09Å; D78-D80 WeakPolarHBondContact OD1-CB 3.23Å; D78-D80 PolarHBondContact OD1-N 3.08Å; D78-F81 HydrophobicContact CB-CD2 3.78Å; D78-F81 PolarHBondContact O-N 3.31Å; D78-R82 PolarHBondContact O-N 2.86Å
79P91.9Very high94.8Very high66 Ų6644.5 Ų44.543%0.42923%0.234SC..G310 helixtrans-45.4-38.7177-3035.3000114.7F81 R82P79-F81 PolarHBondContact O-N 3.45Å; P79-R82 PolarHBondContact O-N 3.22Å
80D92Very high94.8Very high119 Ų11943.8 Ų43.864%0.63623%0.231SC*.G310 helixtrans-69.4-19.5-177.7-64.1-30.9000113K17 D78K17-D80 IonicContact NZ-OD2 2.77Å; K17-D80 PolarHBondContact NZ-OD2 3.37Å; D78-D80 PolarHBondContact O-N 3.02Å; D78-D80 VanDerWaalsContact O-N 3.09Å; D78-D80 WeakPolarHBondContact OD1-CB 3.23Å; D78-D80 PolarHBondContact OD1-N 3.08Å
81F93.5Very high94.7Very high38 Ų3843.9 Ų43.917%0.16723%0.231CC..G310 helixtrans-113.913.2-176-61.7-64.3000113.3M54 T77 D78 P79 L84 I86M54-F81 HydrophobicContact CB-CB 4.06Å; M54-F81 HydrophobicContact CB-CD2 3.88Å; M54-F81 HydrophobicContact CB-CG 3.97Å; M54-F81 HydrophobicContact CE-CB 3.95Å; M54-F81 HydrophobicContact CE-CD1 3.35Å; M54-F81 HydrophobicContact CE-CE1 3.96Å; M54-F81 HydrophobicContact CE-CG 3.7Å; M54-F81 HydrophobicContact CG-CD1 4.26Å; M54-F81 HydrophobicContact CG-CD2 3.91Å; M54-F81 HydrophobicContact CG-CE1 4.48Å; M54-F81 HydrophobicContact CG-CE2 4.17Å; M54-F81 HydrophobicContact CG-CG 3.97Å; M54-F81 HydrophobicContact CG-CZ 4.45Å; T77-F81 HydrophobicContact CG2-CB 4.37Å; D78-F81 HydrophobicContact CB-CD2 3.78Å; D78-F81 PolarHBondContact O-N 3.31Å; P79-F81 PolarHBondContact O-N 3.45Å; F81-L84 HydrophobicContact CB-CD1 4.4Å; F81-L84 HydrophobicContact CD1-CD1 4.34Å; F81-I86 HydrophobicContact CB-CD1 3.94Å; F81-I86 WeakPolarHBondContact O-CD1 3.17Å
82R91.1Very high94.7Very high100 Ų10048.8 Ų48.838%0.37725%0.249SC..THydrogen-bonded Turntrans-68.1163.5176.1-70.6-177.4-176.8171.67.7112.5D21 T77 D78 P79 L84D21-R82 IonicContact OD1-CZ 2.78Å; D21-R82 VanDerWaalsContact OD1-CZ 3.32Å; D21-R82 IonicContact OD1-NH1 2.72Å; D21-R82 PolarHBondContact OD1-NH1 2.9Å; D21-R82 VanDerWaalsContact OD1-NH1 3.14Å; D21-R82 IonicContact OD1-NH2 3.31Å; D21-R82 PolarHBondContact OD1-NH2 2.93Å; D21-R82 IonicContact OD2-NH2 2.65Å; T77-R82 HydrophobicContact CG2-CG 4.23Å; T77-R82 PolarHBondContact O-NE 3.26Å; T77-R82 PolarHBondContact O-NH2 3.01Å; D78-R82 PolarHBondContact O-N 2.86Å; P79-R82 PolarHBondContact O-N 3.22Å; R82-L84 PolarHBondContact O-N 3.38Å
83R90.8Very high94.6Very high228 Ų22852.6 Ų52.686%0.8627%0.267SS*.THydrogen-bonded Turntrans61.79.5177.5-49.3-61.3-65.3-140.3-3.4114.9G85R83-G85 VanDerWaalsContact C-N 3.35Å
84L93.3Very high94.7Very high116 Ų11651.7 Ų51.761%0.60726%0.262SS*.SBendtrans-90.84.5171.6-59.8179.1000113.2M54 F81 R82 I86M54-L84 HydrophobicContact CE-CD1 4.23Å; F81-L84 HydrophobicContact CB-CD1 4.4Å; F81-L84 HydrophobicContact CD1-CD1 4.34Å; R82-L84 PolarHBondContact O-N 3.38Å; L84-I86 VanDerWaalsContact C-N 3.33Å; L84-I86 HydrophobicContact CB-CD1 4.13Å; L84-I86 HydrophobicContact CB-CG1 4.01Å; L84-I86 HydrophobicContact CD1-CD1 4.35Å; L84-I86 PolarHBondContact O-N 3.04Å
85G93.2Very high94.7Very high47 Ų4752.2 Ų52.249%0.48526%0.262SS..SBendtrans76.412.8179.600000115.4R83 G88 L89R83-G85 VanDerWaalsContact C-N 3.35Å; G85-G88 PolarHBondContact O-N 3.49Å; G85-L89 PolarHBondContact O-N 2.99Å
86I95.7Very high94.8Very high7 Ų754.9 Ų54.94%0.03628%0.278CS..Hα-helixtrans-65.1-48.2-174-57.7172.5000112.1A46 M54 A55 T77 F81 L84 G88 L89 L90A46-I86 HydrophobicContact CB-CG2 3.54Å; M54-I86 HydrophobicContact CB-CD1 3.98Å; M54-I86 HydrophobicContact CE-CD1 3.38Å; M54-I86 HydrophobicContact SD-CD1 4.09Å; A55-I86 HydrophobicContact CB-CG2 3.57Å; T77-I86 HydrophobicContact CG2-CD1 4.48Å; F81-I86 HydrophobicContact CB-CD1 3.94Å; F81-I86 WeakPolarHBondContact O-CD1 3.17Å; L84-I86 VanDerWaalsContact C-N 3.33Å; L84-I86 HydrophobicContact CB-CD1 4.13Å; L84-I86 HydrophobicContact CB-CG1 4.01Å; L84-I86 HydrophobicContact CD1-CD1 4.35Å; L84-I86 PolarHBondContact O-N 3.04Å; I86-G88 VanDerWaalsContact C-N 3.33Å; I86-G88 PolarHBondContact O-N 3.46Å; I86-L89 WeakPolarHBondContact O-CA 3.43Å; I86-L89 WeakPolarHBondContact O-CB 3.46Å; I86-L89 PolarHBondContact O-N 2.84Å; I86-L90 HydrophobicContact CG2-CD1 4.23Å; I86-L90 PolarHBondContact O-N 3.1Å
87A94.3Very high94.9Very high25 Ų2555.1 Ų55.121%0.20728%0.279CS..Hα-helixtrans-56.1-47.4177.400000111.7V75 L89 L90 M91V75-A87 HydrophobicContact CG2-CB 4.17Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.23Å; A87-M91 WeakPolarHBondContact O-CG 3.37Å; A87-M91 PolarHBondContact O-N 3.49Å
88G95.3Very high95Very high8 Ų854.3 Ų54.38%0.08227%0.274CS..Hα-helixtrans-64.5-30.4176.400000113.7G85 I86 R92G85-G88 PolarHBondContact O-N 3.49Å; I86-G88 VanDerWaalsContact C-N 3.33Å; I86-G88 PolarHBondContact O-N 3.46Å; G88-R92 WeakPolarHBondContact O-CG 3.33Å; G88-R92 PolarHBondContact O-N 3.2Å; G88-R92 VanDerWaalsContact O-N 3.14Å; G88-R92 PolarHBondContact O-NE 2.71Å; G88-R92 PolarHBondContact O-NH1 3.37Å
89L95.9Very high95.1Very high59 Ų5956.3 Ų56.331%0.30929%0.285SS..Hα-helixtrans-68-46.6173.7-174.768.2000111.3I4 G85 I86 A87 R92 Q93I4-L89 HydrophobicContact CD1-CB 4.41Å; I4-L89 HydrophobicContact CD1-CD2 3.49Å; I4-L89 VanDerWaalsContact CD1-CD2 3.49Å; I4-L89 HydrophobicContact CD1-CG 3.5Å; I4-L89 VanDerWaalsContact CD1-CG 3.5Å; I4-L89 HydrophobicContact CG1-CD2 4.24Å; G85-L89 PolarHBondContact O-N 2.99Å; I86-L89 WeakPolarHBondContact O-CA 3.43Å; I86-L89 WeakPolarHBondContact O-CB 3.46Å; I86-L89 PolarHBondContact O-N 2.84Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 3.14Å; L89-R92 PolarHBondContact O-N 3.26Å; L89-Q93 WeakPolarHBondContact O-CG 3.26Å; L89-Q93 PolarHBondContact O-N 2.76Å; L89-Q93 VanDerWaalsContact O-N 3.13Å
90L97.3Very high95.4Very high0 Ų060.6 Ų60.60%029%0.292CS..Hα-helixtrans-60.9-45.6176.7-73.8170.8000111.8I4 L44 A46 A55 I57 I86 A87 R92 Q93 L94I4-L90 HydrophobicContact CD1-CD2 4Å; I4-L90 HydrophobicContact CG1-CD2 4.18Å; I4-L90 HydrophobicContact CG2-CD2 4.17Å; L44-L90 HydrophobicContact CB-CD2 4.04Å; A46-L90 HydrophobicContact CB-CD1 4.26Å; A46-L90 HydrophobicContact CB-CD2 4.31Å; A46-L90 HydrophobicContact CB-CG 4.46Å; A55-L90 HydrophobicContact CB-CD1 3.65Å; I57-L90 HydrophobicContact CB-CB 4.12Å; I57-L90 HydrophobicContact CB-CD1 4.35Å; I57-L90 HydrophobicContact CD1-CB 4.19Å; I57-L90 HydrophobicContact CG2-CB 3.92Å; I57-L90 HydrophobicContact CG2-CD1 4.48Å; I57-L90 HydrophobicContact CG2-CD2 4.05Å; I57-L90 HydrophobicContact CG2-CG 4.37Å; I86-L90 HydrophobicContact CG2-CD1 4.23Å; I86-L90 PolarHBondContact O-N 3.1Å; A87-L90 PolarHBondContact O-N 3.23Å; L90-R92 PolarHBondContact O-N 3.06Å; L90-Q93 WeakPolarHBondContact O-CB 3.17Å; L90-Q93 PolarHBondContact O-N 3.16Å; L90-Q93 VanDerWaalsContact O-N 3.16Å; L90-L94 PolarHBondContact O-N 3.11Å; L90-L94 VanDerWaalsContact O-N 3.11Å
91M97.1Very high95.6Very high1 Ų158.7 Ų58.71%0.00528%0.277CS..Hα-helixtrans-61.4-43.2177.4-68.7-177.185.200112.4I57 I72 A87 Q93 L94 E95 L108 Y121 L124 Y126I57-M91 HydrophobicContact CD1-CB 4.48Å; I57-M91 HydrophobicContact CD1-CG 3.81Å; I72-M91 HydrophobicContact CD1-CE 3.36Å; I72-M91 HydrophobicContact CD1-CG 4.19Å; A87-M91 WeakPolarHBondContact O-CG 3.37Å; A87-M91 PolarHBondContact O-N 3.49Å; M91-Q93 VanDerWaalsContact C-N 3.28Å; M91-Q93 PolarHBondContact O-N 3.01Å; M91-L94 PolarHBondContact O-N 3.32Å; M91-E95 WeakPolarHBondContact O-CG 3.41Å; M91-E95 PolarHBondContact O-N 2.78Å; M91-L108 HydrophobicContact CE-CD2 3.71Å; M91-Y121 HydrophobicContact CE-CD1 3.46Å; M91-Y121 VanDerWaalsContact CE-CD1 3.46Å; M91-Y121 HydrophobicContact CE-CE1 3.42Å; M91-Y121 VanDerWaalsContact CE-CE1 3.42Å; M91-Y121 HydrophobicContact SD-CD1 3.64Å; M91-Y121 HydrophobicContact SD-CE1 3.46Å; M91-Y121 WeakPolarHBondContact SD-CE1 3.43Å; M91-L124 HydrophobicContact CB-CD1 4.34Å; M91-L124 HydrophobicContact CE-CD1 4.32Å; M91-L124 HydrophobicContact CG-CD1 4.48Å; M91-L124 HydrophobicContact SD-CD1 3.36Å; M91-L124 WeakPolarHBondContact SD-CD1 3.26Å; M91-Y126 HydrophobicContact CE-CD2 4.39Å; M91-Y126 HydrophobicContact CE-CE1 4.22Å; M91-Y126 HydrophobicContact CE-CE2 3.54Å; M91-Y126 VanDerWaalsContact CE-CZ 3.45Å; M91-Y126 WeakPolarHBondContact CE-OH 3.46Å
92R96.6Very high95.7Very high116 Ų11664.1 Ų64.144%0.43830%0.303SS..Hα-helixtrans-62.2-34.2175.4-77.6-174-64.8-89.91112.9G88 L89 L90 E95 V96G88-R92 WeakPolarHBondContact O-CG 3.33Å; G88-R92 PolarHBondContact O-N 3.2Å; G88-R92 VanDerWaalsContact O-N 3.14Å; G88-R92 PolarHBondContact O-NE 2.71Å; G88-R92 PolarHBondContact O-NH1 3.37Å; L89-R92 PolarHBondContact O-N 3.26Å; L90-R92 PolarHBondContact O-N 3.06Å; R92-E95 PolarHBondContact O-N 3.05Å; R92-V96 WeakPolarHBondContact O-CG2 3.17Å; R92-V96 PolarHBondContact O-N 2.92Å
93Q96.4Very high96Very high87 Ų8759.3 Ų59.341%0.40729%0.285SS..Hα-helixtrans-64.9-45.6174.3-69.8-61.7-37.500111.1I4 L44 L89 L90 M91 E95 V96 V97I4-Q93 HydrophobicContact CD1-CG 3.9Å; L44-Q93 HydrophobicContact CD1-CB 3.78Å; L89-Q93 WeakPolarHBondContact O-CG 3.26Å; L89-Q93 PolarHBondContact O-N 2.76Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; L90-Q93 WeakPolarHBondContact O-CB 3.17Å; L90-Q93 PolarHBondContact O-N 3.16Å; L90-Q93 VanDerWaalsContact O-N 3.16Å; M91-Q93 VanDerWaalsContact C-N 3.28Å; M91-Q93 PolarHBondContact O-N 3.01Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; Q93-E95 PolarHBondContact O-N 3.36Å; Q93-V96 WeakPolarHBondContact O-CB 3.48Å; Q93-V96 PolarHBondContact O-N 2.83Å; Q93-V97 PolarHBondContact O-N 3.31Å
94L97Very high96.3Very high1 Ų151.6 Ų51.61%0.00526%0.256CS..Hα-helixtrans-62.7-39.8174.8-71.2-166.7000112.7L42 L44 I57 I72 L90 M91 V96 V97 F98L42-L94 HydrophobicContact CB-CD2 4.13Å; L42-L94 HydrophobicContact CD2-CD2 3.96Å; L42-L94 WeakPolarHBondContact O-CD2 3.21Å; L44-L94 HydrophobicContact CD1-CD2 4.01Å; L44-L94 HydrophobicContact CG-CD2 4.38Å; I57-L94 HydrophobicContact CB-CD1 4.43Å; I57-L94 HydrophobicContact CD1-CD1 3.45Å; I57-L94 VanDerWaalsContact CD1-CD1 3.45Å; I57-L94 HydrophobicContact CD1-CG 4.05Å; I57-L94 HydrophobicContact CG1-CD1 3.58Å; I57-L94 HydrophobicContact CG1-CG 4.45Å; I57-L94 HydrophobicContact CG2-CD1 4.03Å; I57-L94 HydrophobicContact CG2-CG 4.17Å; I72-L94 HydrophobicContact CG1-CD1 4.4Å; L90-L94 PolarHBondContact O-N 3.11Å; L90-L94 VanDerWaalsContact O-N 3.11Å; M91-L94 PolarHBondContact O-N 3.32Å; L94-V96 PolarHBondContact O-N 3.15Å; L94-V97 CarbonylContact O-C 3.56Å; L94-V97 WeakPolarHBondContact O-CA 3.41Å; L94-V97 PolarHBondContact O-N 3.42Å; L94-F98 HydrophobicContact CB-CD2 4.07Å; L94-F98 HydrophobicContact CB-CE2 3.73Å; L94-F98 HydrophobicContact CB-CZ 4.5Å; L94-F98 HydrophobicContact CD1-CE2 4.24Å; L94-F98 HydrophobicContact CD1-CZ 4.46Å; L94-F98 WeakPolarHBondContact O-CD2 3.47Å; L94-F98 WeakPolarHBondContact O-CG 3.39Å; L94-F98 PolarHBondContact O-N 2.87Å
95E96.9Very high96.6Very high22 Ų2246.4 Ų46.410%0.10323%0.229CC..Hα-helixtrans-56.9-36.4175.4-73.3173.8-163.600112.3M91 R92 Q93 N99 V106 K149M91-E95 WeakPolarHBondContact O-CG 3.41Å; M91-E95 PolarHBondContact O-N 2.78Å; R92-E95 PolarHBondContact O-N 3.05Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; Q93-E95 PolarHBondContact O-N 3.36Å; E95-N99 WeakPolarHBondContact O-CB 3.38Å; E95-N99 PolarHBondContact O-N 3.46Å; E95-N99 PolarHBondContact O-ND2 3.46Å; E95-V106 HydrophobicContact CG-CG2 4.45Å; E95-K149 WeakPolarHBondContact OE1-CD 3.38Å; E95-K149 IonicContact OE1-NZ 3.44Å; E95-K149 PolarHBondContact OE1-NZ 3.01Å; E95-K149 IonicContact OE2-NZ 3.93Å; E95-K149 PolarHBondContact OE2-NZ 2.94Å
96V97.3Very high96.8Very high83 Ų8344.2 Ų44.250%0.50321%0.205SC..Hα-helixtrans-64.5-42.9173.9174.20000110.7R92 Q93 L94 R100R92-V96 WeakPolarHBondContact O-CG2 3.17Å; R92-V96 PolarHBondContact O-N 2.92Å; Q93-V96 WeakPolarHBondContact O-CB 3.48Å; Q93-V96 PolarHBondContact O-N 2.83Å; L94-V96 PolarHBondContact O-N 3.15Å; V96-R100 WeakPolarHBondContact O-CG 3.26Å; V96-R100 PolarHBondContact O-N 3.48Å
97V97.2Very high96.9Very high13 Ų1344.1 Ų44.18%0.07921%0.205CC..Hα-helixtrans-66.1-46.8177.7-171.90000111.2L42 Q93 L94 N99 R100 Y101L42-V97 HydrophobicContact CD2-CB 3.81Å; L42-V97 HydrophobicContact CD2-CG1 3.49Å; L42-V97 VanDerWaalsContact CD2-CG1 3.49Å; Q93-V97 PolarHBondContact O-N 3.31Å; L94-V97 CarbonylContact O-C 3.56Å; L94-V97 WeakPolarHBondContact O-CA 3.41Å; L94-V97 PolarHBondContact O-N 3.42Å; V97-N99 VanDerWaalsContact C-N 3.33Å; V97-N99 PolarHBondContact O-N 3.06Å; V97-R100 WeakPolarHBondContact O-CA 3.14Å; V97-R100 WeakPolarHBondContact O-CB 3.49Å; V97-R100 PolarHBondContact O-N 2.83Å; V97-Y101 HydrophobicContact CG1-CD2 4.18Å; V97-Y101 HydrophobicContact CG1-CE1 4.2Å; V97-Y101 HydrophobicContact CG1-CE2 3.66Å; V97-Y101 PolarHBondContact O-N 2.99Å
98F97.8Very high97Very high0 Ų043 Ų430%020%0.196CC..Hα-helixtrans-62-37.7178.4-66-49.1000112.9L42 K60 T61 L94 R100 Y101 E102 C103 V106 L151L42-F98 HydrophobicContact CD1-CD1 4.39Å; L42-F98 HydrophobicContact CD1-CE1 3.55Å; L42-F98 HydrophobicContact CD1-CZ 4.22Å; L42-F98 HydrophobicContact CD2-CD1 4Å; L42-F98 HydrophobicContact CD2-CE1 3.61Å; L42-F98 HydrophobicContact CD2-CZ 4.04Å; L42-F98 HydrophobicContact CG-CE1 4.22Å; K60-F98 WeakPolarHBondContact O-CE1 3.3Å; T61-F98 HydrophobicContact CG2-CD1 4.03Å; T61-F98 HydrophobicContact CG2-CE1 3.98Å; L94-F98 HydrophobicContact CB-CD2 4.07Å; L94-F98 HydrophobicContact CB-CE2 3.73Å; L94-F98 HydrophobicContact CB-CZ 4.5Å; L94-F98 HydrophobicContact CD1-CE2 4.24Å; L94-F98 HydrophobicContact CD1-CZ 4.46Å; L94-F98 WeakPolarHBondContact O-CD2 3.47Å; L94-F98 WeakPolarHBondContact O-CG 3.39Å; L94-F98 PolarHBondContact O-N 2.87Å; F98-R100 VanDerWaalsContact C-N 3.31Å; F98-R100 PolarHBondContact O-N 3.11Å; F98-Y101 CarbonylContact O-C 3.59Å; F98-Y101 PolarHBondContact O-N 3.2Å; F98-E102 PolarHBondContact O-N 2.9Å; F98-C103 HydrophobicContact CB-CB 4.1Å; F98-C103 WeakPolarHBondContact O-CB 3.46Å; F98-C103 PolarHBondContact O-N 2.97Å; F98-C103 VanDerWaalsContact O-N 3.1Å; F98-V106 HydrophobicContact CB-CG2 4.29Å; F98-V106 HydrophobicContact CD2-CG1 4.2Å; F98-V106 HydrophobicContact CD2-CG2 3.51Å; F98-V106 HydrophobicContact CE2-CG1 3.95Å; F98-V106 HydrophobicContact CE2-CG2 4.12Å; F98-V106 HydrophobicContact CG-CG2 4.18Å; F98-L151 HydrophobicContact CB-CD1 3.54Å
99N97.5Very high97.1Very high47 Ų4744 Ų4425%0.25120%0.198SC..Hα-helixtrans-63.1-36.7172.1-81.5-60.7000112.3E95 V97 Y101 E102 L152E95-N99 WeakPolarHBondContact O-CB 3.38Å; E95-N99 PolarHBondContact O-N 3.46Å; E95-N99 PolarHBondContact O-ND2 3.46Å; V97-N99 VanDerWaalsContact C-N 3.33Å; V97-N99 PolarHBondContact O-N 3.06Å; N99-Y101 VanDerWaalsContact C-N 3.28Å; N99-Y101 PolarHBondContact O-N 2.9Å; N99-E102 PolarHBondContact O-N 3.12Å; N99-E102 VanDerWaalsContact O-N 3.14Å; N99-L152 HydrophobicContact CB-CD1 4.29Å; N99-L152 WeakPolarHBondContact OD1-CB 3.48Å; N99-L152 WeakPolarHBondContact OD1-CG 3.5Å; N99-L152 PolarHBondContact OD1-N 2.93Å
100R97Very high97.1Very high155 Ų15541.4 Ų41.459%0.58519%0.185SC*.Hα-helixtrans-68-29.4175-69.7-175.8-59.8160.68.5112.5E41 V96 V97 F98 E102E41-R100 IonicContact OE2-NH2 3.14Å; V96-R100 WeakPolarHBondContact O-CG 3.26Å; V96-R100 PolarHBondContact O-N 3.48Å; V97-R100 WeakPolarHBondContact O-CA 3.14Å; V97-R100 WeakPolarHBondContact O-CB 3.49Å; V97-R100 PolarHBondContact O-N 2.83Å; F98-R100 VanDerWaalsContact C-N 3.31Å; F98-R100 PolarHBondContact O-N 3.11Å; R100-E102 PolarHBondContact O-N 3.48Å
101Y96.1Very high97.1Very high80 Ų8043.4 Ų43.431%0.31419%0.192SC..THydrogen-bonded Turntrans-82.64.2173.2-63.1-16.4000112.9E41 L42 T61 Y68 V97 F98 N99 C103E41-Y101 PolarHBondContact OE2-OH 3.37Å; L42-Y101 HydrophobicContact CD1-CE2 4.29Å; L42-Y101 HydrophobicContact CD2-CE2 4.2Å; L42-Y101 HydrophobicContact CG-CE2 4.34Å; T61-Y101 HydrophobicContact CG2-CD2 3.78Å; T61-Y101 HydrophobicContact CG2-CE2 4.41Å; Y68-Y101 VanDerWaalsContact CE1-O 3.28Å; Y68-Y101 WeakPolarHBondContact CE1-O 3.26Å; V97-Y101 HydrophobicContact CG1-CD2 4.18Å; V97-Y101 HydrophobicContact CG1-CE1 4.2Å; V97-Y101 HydrophobicContact CG1-CE2 3.66Å; V97-Y101 PolarHBondContact O-N 2.99Å; F98-Y101 CarbonylContact O-C 3.59Å; F98-Y101 PolarHBondContact O-N 3.2Å; N99-Y101 VanDerWaalsContact C-N 3.28Å; N99-Y101 PolarHBondContact O-N 2.9Å; Y101-C103 PolarHBondContact O-N 3.01Å
102E96.6Very high97Very high151 Ų15145.3 Ų45.371%0.70620%0.202SC*.THydrogen-bonded Turntrans58.629.5-179.6-53-175.4111.100113.4F98 N99 R100F98-E102 PolarHBondContact O-N 2.9Å; N99-E102 PolarHBondContact O-N 3.12Å; N99-E102 VanDerWaalsContact O-N 3.14Å; R100-E102 PolarHBondContact O-N 3.48Å
103C97.6Very high96.9Very high0 Ų042.7 Ų42.70%020%0.202CC..  trans-62.1140.3171.2-65.60000110.4Y68 F98 Y101 L151Y68-C103 WeakPolarHBondContact O-CA 3.44Å; F98-C103 HydrophobicContact CB-CB 4.1Å; F98-C103 WeakPolarHBondContact O-CB 3.46Å; F98-C103 PolarHBondContact O-N 2.97Å; F98-C103 VanDerWaalsContact O-N 3.1Å; Y101-C103 PolarHBondContact O-N 3.01Å; C103-L151 HydrophobicContact CB-CD1 3.65Å; C103-L151 VanDerWaalsContact O-CB 3.26Å; C103-L151 WeakPolarHBondContact O-CB 3.46Å; C103-L151 WeakPolarHBondContact O-CD1 3.5Å
104Y97.3Very high96.8Very high66 Ų6639.7 Ų39.726%0.25919%0.188SC..SBendtrans-75.2-35.3178.8-81.5-103.3000112.2G65 E66 Y68 L151 A153 D154G65-Y104 VanDerWaalsContact O-CE2 3.24Å; G65-Y104 WeakPolarHBondContact O-CE2 3.35Å; E66-Y104 HydrophobicContact CB-CD1 4.42Å; E66-Y104 HydrophobicContact CB-CE1 4.11Å; E66-Y104 HydrophobicContact CG-CE1 4.01Å; E66-Y104 WeakPolarHBondContact O-CB 3.39Å; Y68-Y104 PolarHBondContact O-N 2.88Å; Y104-L151 PolarHBondContact O-N 3.27Å; Y104-A153 HydrophobicContact CD2-CB 4.34Å; Y104-A153 HydrophobicContact CE2-CB 4.47Å; Y104-A153 HydrophobicContact CG-CB 4.34Å; Y104-D154 HydrophobicContact CD1-CB 3.94Å; Y104-D154 WeakPolarHBondContact O-CB 3.2Å
105Y97.6Very high96.7Very high7 Ų744 Ų443%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-151.3172.3-18058.4-82.3000111.5H69 G70 D107 R148 K149H69-Y105 WeakPolarHBondContact CA-O 3.45Å; H69-Y105 HydrophobicContact CB-CD1 3.79Å; H69-Y105 HydrophobicContact CB-CD2 3.67Å; H69-Y105 HydrophobicContact CB-CE1 3.67Å; H69-Y105 HydrophobicContact CB-CE2 3.55Å; H69-Y105 HydrophobicContact CB-CG 3.8Å; H69-Y105 VanDerWaalsContact CB-O 3.29Å; H69-Y105 WeakPolarHBondContact CB-O 3.28Å; H69-Y105 AromaticContact CD2-CE2 3.53Å; H69-Y105 AromaticContact CD2-CZ 3.96Å; H69-Y105 AromaticContact CG-CE2 3.43Å; H69-Y105 VanDerWaalsContact CG-CE2 3.43Å; H69-Y105 AromaticContact CG-CZ 3.45Å; H69-Y105 VanDerWaalsContact CG-CZ 3.45Å; H69-Y105 AromaticContact ND1-CE2 3.98Å; H69-Y105 AromaticContact ND1-CZ 3.59Å; H69-Y105 PolarHBondContact ND1-OH 3.41Å; G70-Y105 PolarHBondContact N-O 2.85Å; Y105-D107 HydrophobicContact CD2-CB 4.12Å; Y105-D107 HydrophobicContact CE2-CB 4.05Å; Y105-R148 HydrophobicContact CD2-CB 4.45Å; Y105-R148 HydrophobicContact CD2-CG 4.07Å; Y105-R148 HydrophobicContact CE2-CG 4.32Å; Y105-R148 VanDerWaalsContact CE2-CZ 3.46Å; Y105-R148 PolarHBondContact OH-NH1 3.24Å; Y105-R148 PolarHBondContact OH-NH2 2.93Å; Y105-K149 CarbonylContact C-O 3.56Å; Y105-K149 VanDerWaalsContact CA-O 3.26Å; Y105-K149 WeakPolarHBondContact CA-O 3.47Å; Y105-K149 WeakPolarHBondContact CB-O 3.48Å
106V97.9Very high96.5Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-116.9133.2163.8-172.80000108.3G70 I72 E95 F98 Y126 R148 K149 L151G70-V106 CarbonylContact O-C 3.54Å; G70-V106 WeakPolarHBondContact O-CA 3.47Å; G70-V106 WeakPolarHBondContact O-CG1 3.34Å; I72-V106 HydrophobicContact CD1-CG1 3.73Å; I72-V106 HydrophobicContact CG1-CG1 3.79Å; E95-V106 HydrophobicContact CG-CG2 4.45Å; F98-V106 HydrophobicContact CB-CG2 4.29Å; F98-V106 HydrophobicContact CD2-CG1 4.2Å; F98-V106 HydrophobicContact CD2-CG2 3.51Å; F98-V106 HydrophobicContact CE2-CG1 3.95Å; F98-V106 HydrophobicContact CE2-CG2 4.12Å; F98-V106 HydrophobicContact CG-CG2 4.18Å; V106-Y126 HydrophobicContact CB-CE1 4.25Å; V106-Y126 HydrophobicContact CG1-CE1 4.24Å; V106-Y126 WeakPolarHBondContact CG1-OH 3.34Å; V106-R148 CarbonylContact O-C 3.54Å; V106-R148 VanDerWaalsContact O-CA 3.31Å; V106-R148 WeakPolarHBondContact O-CA 3.36Å; V106-K149 PolarHBondContact N-O 3.37Å; V106-K149 PolarHBondContact O-N 2.82Å; V106-L151 HydrophobicContact CG2-CD1 3.64Å; V106-L151 HydrophobicContact CG2-CD2 3.89Å; V106-L151 HydrophobicContact CG2-CG 3.91Å
107D97.6Very high96.4Very high6 Ų643.9 Ų43.93%0.03222%0.217CC..EExtended strand (participates in β ladder)trans-120167.1173.182.8-24.2000112.8H69 G70 H71 I72 Y105 M147 R148H69-D107 IonicContact CD2-OD1 3.79Å; H69-D107 PolarHBondContact CD2-OD1 3.31Å; H69-D107 VanDerWaalsContact CD2-OD1 3.28Å; H69-D107 IonicContact CD2-OD2 2.81Å; H69-D107 IonicContact NE2-OD1 3.28Å; H69-D107 IonicContact NE2-OD2 3.5Å; G70-D107 PolarHBondContact O-N 2.98Å; H71-D107 VanDerWaalsContact CA-OD1 3.25Å; H71-D107 WeakPolarHBondContact CA-OD1 3.38Å; H71-D107 VanDerWaalsContact CB-OD1 3.29Å; H71-D107 WeakPolarHBondContact CB-OD1 3.48Å; H71-D107 IonicContact CE1-OD1 2.8Å; H71-D107 IonicContact CG-OD1 3.57Å; H71-D107 IonicContact ND1-OD1 3.01Å; H71-D107 PolarHBondContact ND1-OD1 3.09Å; H71-D107 IonicContact ND1-OD2 2.64Å; H71-D107 PolarHBondContact ND1-OD2 3.34Å; I72-D107 PolarHBondContact N-O 3.44Å; Y105-D107 HydrophobicContact CD2-CB 4.12Å; Y105-D107 HydrophobicContact CE2-CB 4.05Å; D107-M147 CarbonylContact C-O 3.54Å; D107-M147 VanDerWaalsContact CA-O 3.25Å; D107-M147 WeakPolarHBondContact CA-O 3.33Å; D107-R148 HydrophobicContact CB-CG 3.82Å
108L97.7Very high96.4Very high1 Ų143.6 Ų43.61%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-161.7155.3173.861.690.4000110.1I72 M91 V110 Y121 Y126 M147I72-L108 HydrophobicContact CB-CB 4.13Å; I72-L108 HydrophobicContact CD1-CD2 4.37Å; M91-L108 HydrophobicContact CE-CD2 3.71Å; L108-V110 HydrophobicContact CD1-CB 3.96Å; L108-V110 HydrophobicContact CD1-CG1 4.07Å; L108-Y121 HydrophobicContact CD1-CD2 3.64Å; L108-Y121 HydrophobicContact CD1-CE1 4.41Å; L108-Y121 HydrophobicContact CD1-CE2 3.38Å; L108-Y121 HydrophobicContact CD1-CG 4.27Å; L108-Y121 HydrophobicContact CD2-CD1 3.61Å; L108-Y121 HydrophobicContact CD2-CD2 4.12Å; L108-Y121 HydrophobicContact CD2-CE1 3.45Å; L108-Y121 VanDerWaalsContact CD2-CE1 3.45Å; L108-Y121 HydrophobicContact CD2-CE2 3.97Å; L108-Y121 HydrophobicContact CD2-CG 3.95Å; L108-Y121 HydrophobicContact CG-CE2 4.36Å; L108-Y126 HydrophobicContact CD2-CD1 4.04Å; L108-Y126 HydrophobicContact CD2-CE1 3.81Å; L108-M147 HydrophobicContact CD1-CB 4.03Å; L108-M147 HydrophobicContact CD1-CG 4.5Å; L108-M147 HydrophobicContact CG-CB 4.23Å; L108-M147 PolarHBondContact N-O 3.31Å; L108-M147 VanDerWaalsContact N-O 3.12Å; L108-M147 PolarHBondContact O-N 3.24Å
109F96.7Very high96.3Very high28 Ų2848.7 Ų48.712%0.12324%0.24CC..EExtended strand (participates in β ladder)trans-100138.2167.4-60.7-68.8000110.6H71 V132 Y135 Y136 A144 Y145 D146 L172H71-F109 AromaticContact CE1-CD2 3.58Å; H71-F109 AromaticContact CE1-CE2 3.55Å; F109-V132 HydrophobicContact CD1-CG2 4.35Å; F109-V132 HydrophobicContact CE1-CG2 3.99Å; F109-Y135 HydrophobicContact CB-CD1 4.36Å; F109-Y135 HydrophobicContact CB-CE1 3.76Å; F109-Y135 HydrophobicContact CD1-CE2 4.27Å; F109-Y135 HydrophobicContact CD2-CE1 4.1Å; F109-Y135 HydrophobicContact CD2-CE2 4.08Å; F109-Y135 AromaticContact CD2-CZ 3.49Å; F109-Y135 VanDerWaalsContact CD2-CZ 3.49Å; F109-Y135 WeakPolarHBondContact CD2-OH 3.49Å; F109-Y135 HydrophobicContact CE1-CE2 4.34Å; F109-Y135 HydrophobicContact CE2-CE2 4.15Å; F109-Y135 AromaticContact CE2-CZ 3.97Å; F109-Y135 WeakPolarHBondContact CE2-OH 3.37Å; F109-Y135 AromaticContact CG-CE1 3.87Å; F109-Y135 HydrophobicContact CG-CE1 3.87Å; F109-Y135 HydrophobicContact CG-CE2 4.14Å; F109-Y135 AromaticContact CG-CZ 3.64Å; F109-Y135 HydrophobicContact CZ-CE2 4.29Å; F109-Y136 VanDerWaalsContact C-OH 3.29Å; F109-Y136 PolarHBondContact O-OH 3.21Å; F109-A144 HydrophobicContact CB-CB 4.29Å; F109-A144 HydrophobicContact CD1-CB 4.35Å; F109-Y145 WeakPolarHBondContact CA-O 3.4Å; F109-D146 HydrophobicContact CD1-CB 4.13Å; F109-D146 HydrophobicContact CE1-CB 3.84Å; F109-L172 HydrophobicContact CE1-CD1 3.96Å; F109-L172 HydrophobicContact CE1-CD2 4.28Å; F109-L172 HydrophobicContact CZ-CD1 3.73Å; F109-L172 HydrophobicContact CZ-CD2 4.33Å
110V96.7Very high96.1Very high6 Ų648.8 Ų48.84%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-139.1132.9175.661.60000110.6L108 I112 N114 A117 V118 Y121 A144 Y145 M147L108-V110 HydrophobicContact CD1-CB 3.96Å; L108-V110 HydrophobicContact CD1-CG1 4.07Å; V110-I112 PolarHBondContact O-N 3.2Å; V110-N114 HydrophobicContact CG2-CB 4.13Å; V110-A117 HydrophobicContact CG2-CB 3.88Å; V110-V118 HydrophobicContact CG1-CG2 3.8Å; V110-V118 HydrophobicContact CG2-CG2 3.97Å; V110-Y121 HydrophobicContact CB-CD2 4.43Å; V110-Y121 HydrophobicContact CB-CE2 4Å; V110-Y121 HydrophobicContact CG1-CD2 4.38Å; V110-Y121 HydrophobicContact CG1-CE2 4.43Å; V110-Y121 HydrophobicContact CG2-CD2 4.46Å; V110-Y121 HydrophobicContact CG2-CE2 3.97Å; V110-A144 CarbonylContact O-C 3.56Å; V110-A144 WeakPolarHBondContact O-CA 3.45Å; V110-Y145 PolarHBondContact N-O 3.45Å; V110-Y145 PolarHBondContact O-N 3.16Å; V110-M147 HydrophobicContact CG1-CG 4.07Å; V110-M147 HydrophobicContact CG1-SD 3.8Å
111R96Very high96.1Very high41 Ų4142.5 Ų42.516%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-51.9131.8171.2-76.7176.9-179.3-86.52.2110.2E25 S113 N114 Y136 E142E25-R111 IonicContact OE1-CZ 3.68Å; E25-R111 IonicContact OE1-NE 3.32Å; E25-R111 PolarHBondContact OE1-NE 3.33Å; E25-R111 IonicContact OE1-NH2 3.48Å; E25-R111 PolarHBondContact OE1-NH2 3.25Å; R111-S113 PolarHBondContact O-N 2.8Å; R111-N114 HydrophobicContact CB-CB 4.16Å; R111-N114 WeakPolarHBondContact O-CB 3.38Å; R111-N114 PolarHBondContact O-N 3.14Å; R111-Y136 HydrophobicContact CB-CD2 4.29Å; R111-Y136 HydrophobicContact CB-CE2 4.11Å; R111-Y136 HydrophobicContact CG-CD1 4.13Å; R111-Y136 HydrophobicContact CG-CD2 3.32Å; R111-Y136 HydrophobicContact CG-CE1 4.19Å; R111-Y136 HydrophobicContact CG-CE2 3.37Å; R111-Y136 HydrophobicContact CG-CG 3.72Å; R111-Y136 VanDerWaalsContact CZ-CB 3.46Å; R111-Y136 VanDerWaalsContact N-CE2 3.34Å; R111-E142 WeakPolarHBondContact CB-OE1 3.47Å; R111-E142 VanDerWaalsContact CD-OE2 3.3Å; R111-E142 WeakPolarHBondContact CD-OE2 3.47Å; R111-E142 WeakPolarHBondContact CG-OE2 3.39Å; R111-E142 IonicContact CZ-OE2 3.55Å; R111-E142 IonicContact NE-OE2 2.76Å; R111-E142 IonicContact NH1-OE2 3.86Å; R111-E142 PolarHBondContact NH1-OE2 3.2Å
112I95.1Very high96.2Very high41 Ų4143.2 Ų43.221%0.2122%0.223CC..THydrogen-bonded Turntrans-60.8-33.9-179.5-66.4-176.1000111.3V110 N114 R131 E142 D143 Y145V110-I112 PolarHBondContact O-N 3.2Å; I112-N114 PolarHBondContact O-N 2.97Å; I112-R131 HydrophobicContact CD1-CG 4.04Å; I112-E142 PolarHBondContact N-OE1 2.78Å; I112-D143 HydrophobicContact CD1-CB 3.49Å; I112-D143 VanDerWaalsContact CD1-CB 3.49Å; I112-D143 HydrophobicContact CG1-CB 4.21Å; I112-D143 WeakPolarHBondContact CG1-O 3.47Å; I112-D143 PolarHBondContact N-O 2.81Å; I112-Y145 HydrophobicContact CB-CD2 4.5Å; I112-Y145 HydrophobicContact CB-CE2 4.1Å; I112-Y145 HydrophobicContact CD1-CD1 4.26Å; I112-Y145 HydrophobicContact CD1-CE1 3.84Å; I112-Y145 HydrophobicContact CD1-CE2 4.31Å; I112-Y145 HydrophobicContact CG1-CD1 4.18Å; I112-Y145 HydrophobicContact CG1-CD2 3.86Å; I112-Y145 HydrophobicContact CG1-CE1 4.03Å; I112-Y145 HydrophobicContact CG1-CE2 3.7Å; I112-Y145 HydrophobicContact CG1-CG 4.09Å; I112-Y145 HydrophobicContact CG2-CE2 3.83Å
113S94.9Very high96.1Very high62 Ų6240.7 Ų40.743%0.43422%0.222SC..THydrogen-bonded Turntrans-68.6-19.8176.566.10000113.8R111 T115 E142R111-S113 PolarHBondContact O-N 2.8Å; S113-T115 PolarHBondContact O-N 2.98Å; S113-E142 WeakPolarHBondContact CA-OE1 3.46Å; S113-E142 WeakPolarHBondContact CB-OE1 3.47Å; S113-E142 PolarHBondContact N-OE1 3.35Å; S113-E142 PolarHBondContact OG-OE1 3.45Å; S113-E142 PolarHBondContact OG-OE2 3.14Å
114N94.6Very high96.1Very high23 Ų2341.8 Ų41.812%0.12323%0.228CC..  trans-79.963.1178.3-166.9-10.3000111.5F23 V110 R111 I112 T116 A117 V118F23-N114 VanDerWaalsContact CB-ND2 3.34Å; F23-N114 WeakPolarHBondContact CB-ND2 3.34Å; F23-N114 HydrophobicContact CD1-CB 3.73Å; F23-N114 HydrophobicContact CE1-CB 3.74Å; F23-N114 HydrophobicContact CG-CB 4.12Å; F23-N114 VanDerWaalsContact CG-ND2 3.34Å; F23-N114 WeakPolarHBondContact CG-ND2 3.06Å; F23-N114 HydrophobicContact CZ-CB 4.13Å; V110-N114 HydrophobicContact CG2-CB 4.13Å; R111-N114 HydrophobicContact CB-CB 4.16Å; R111-N114 WeakPolarHBondContact O-CB 3.38Å; R111-N114 PolarHBondContact O-N 3.14Å; I112-N114 PolarHBondContact O-N 2.97Å; N114-T116 PolarHBondContact O-N 2.65Å; N114-T116 VanDerWaalsContact O-N 3.14Å; N114-A117 HydrophobicContact CB-CB 4.32Å; N114-A117 VanDerWaalsContact CG-CB 3.42Å; N114-A117 WeakPolarHBondContact ND2-CB 3.46Å; N114-A117 PolarHBondContact O-N 3.33Å; N114-A117 VanDerWaalsContact O-N 3.11Å; N114-A117 WeakPolarHBondContact OD1-CB 3.46Å; N114-A117 PolarHBondContact OD1-N 3.48Å; N114-A117 VanDerWaalsContact OD1-N 3.1Å; N114-V118 WeakPolarHBondContact O-CG2 3.3Å; N114-V118 PolarHBondContact O-N 3.09Å
115T94.8Very high96Very high92 Ų9240.6 Ų40.656%0.56424%0.236SC*.Hα-helixtrans-56.8-31.6-178.256.20000112.6S113 E119S113-T115 PolarHBondContact O-N 2.98Å; T115-E119 WeakPolarHBondContact O-CB 3.36Å; T115-E119 WeakPolarHBondContact O-CG 3.48Å; T115-E119 PolarHBondContact O-N 3.14Å
116T93.4Very high96Very high86 Ų8640.5 Ų40.553%0.52824%0.235SC..Hα-helixtrans-67.3-45177.8-62.50000111.9N114 T120N114-T116 PolarHBondContact O-N 2.65Å; N114-T116 VanDerWaalsContact O-N 3.14Å; T116-T120 WeakPolarHBondContact O-CB 3.04Å; T116-T120 PolarHBondContact O-N 3.1Å; T116-T120 VanDerWaalsContact O-N 3.09Å; T116-T120 PolarHBondContact O-OG1 2.86Å
117A95.3Very high95.9Very high16 Ų1643.4 Ų43.413%0.13225%0.253CS..Hα-helixtrans-67.5-44.1175.900000111V110 N114 E119 T120 Y121V110-A117 HydrophobicContact CG2-CB 3.88Å; N114-A117 HydrophobicContact CB-CB 4.32Å; N114-A117 VanDerWaalsContact CG-CB 3.42Å; N114-A117 WeakPolarHBondContact ND2-CB 3.46Å; N114-A117 PolarHBondContact O-N 3.33Å; N114-A117 VanDerWaalsContact O-N 3.11Å; N114-A117 WeakPolarHBondContact OD1-CB 3.46Å; N114-A117 PolarHBondContact OD1-N 3.48Å; N114-A117 VanDerWaalsContact OD1-N 3.1Å; A117-E119 PolarHBondContact O-N 3.07Å; A117-T120 WeakPolarHBondContact O-CA 3.4Å; A117-T120 WeakPolarHBondContact O-CB 3.41Å; A117-T120 PolarHBondContact O-N 3.38Å; A117-Y121 HydrophobicContact CB-CD2 4.39Å; A117-Y121 HydrophobicContact CB-CE2 3.88Å; A117-Y121 WeakPolarHBondContact O-CD2 3.22Å; A117-Y121 PolarHBondContact O-N 2.77Å
118V96.5Very high95.9Very high7 Ų746 Ų464%0.04227%0.269CS..Hα-helixtrans-55-49.1177.1172.60000111.6V110 N114 T120 Y121 K122 Y145 M147V110-V118 HydrophobicContact CG1-CG2 3.8Å; V110-V118 HydrophobicContact CG2-CG2 3.97Å; N114-V118 WeakPolarHBondContact O-CG2 3.3Å; N114-V118 PolarHBondContact O-N 3.09Å; V118-T120 VanDerWaalsContact C-N 3.32Å; V118-T120 PolarHBondContact O-N 3.32Å; V118-Y121 PolarHBondContact O-N 3.46Å; V118-K122 HydrophobicContact CG1-CD 4.36Å; V118-K122 WeakPolarHBondContact O-CG 3.49Å; V118-K122 PolarHBondContact O-N 2.99Å; V118-Y145 HydrophobicContact CG2-CD2 4.14Å; V118-M147 HydrophobicContact CG1-SD 4.43Å
119E95.3Very high95.8Very high108 Ų10846.9 Ų46.951%0.50527%0.272SS..Hα-helixtrans-67.5-33.2178-69.1-49.7133.600112.6T115 A117 K122 S123T115-E119 WeakPolarHBondContact O-CB 3.36Å; T115-E119 WeakPolarHBondContact O-CG 3.48Å; T115-E119 PolarHBondContact O-N 3.14Å; A117-E119 PolarHBondContact O-N 3.07Å; E119-K122 IonicContact OE1-NZ 2.71Å; E119-K122 PolarHBondContact OE1-NZ 2.94Å; E119-S123 WeakPolarHBondContact O-CB 3.37Å; E119-S123 PolarHBondContact O-N 2.96Å
120T94.5Very high95.7Very high49 Ų4946.1 Ų46.130%0.30127%0.268SS..Hα-helixtrans-62.7-47.5173.1-58.40000110.8T116 A117 V118 S123 L124T116-T120 WeakPolarHBondContact O-CB 3.04Å; T116-T120 PolarHBondContact O-N 3.1Å; T116-T120 VanDerWaalsContact O-N 3.09Å; T116-T120 PolarHBondContact O-OG1 2.86Å; A117-T120 WeakPolarHBondContact O-CA 3.4Å; A117-T120 WeakPolarHBondContact O-CB 3.41Å; A117-T120 PolarHBondContact O-N 3.38Å; V118-T120 VanDerWaalsContact C-N 3.32Å; V118-T120 PolarHBondContact O-N 3.32Å; T120-S123 PolarHBondContact O-N 3.38Å; T120-S123 PolarHBondContact O-OG 3.4Å; T120-L124 HydrophobicContact CG2-CD1 4.39Å; T120-L124 WeakPolarHBondContact O-CG 3.35Å; T120-L124 PolarHBondContact O-N 3.29Å
121Y97.1Very high95.7Very high22 Ų2251 Ų519%0.08629%0.286CS..Hα-helixtrans-64.4-43.1178.4-62-46.5000112.2V75 M91 L108 V110 A117 V118 S123 L124 G125 Y126 M147V75-Y121 HydrophobicContact CG1-CE1 4.2Å; V75-Y121 WeakPolarHBondContact CG1-OH 3.4Å; M91-Y121 HydrophobicContact CE-CD1 3.46Å; M91-Y121 VanDerWaalsContact CE-CD1 3.46Å; M91-Y121 HydrophobicContact CE-CE1 3.42Å; M91-Y121 VanDerWaalsContact CE-CE1 3.42Å; M91-Y121 HydrophobicContact SD-CD1 3.64Å; M91-Y121 HydrophobicContact SD-CE1 3.46Å; M91-Y121 WeakPolarHBondContact SD-CE1 3.43Å; L108-Y121 HydrophobicContact CD1-CD2 3.64Å; L108-Y121 HydrophobicContact CD1-CE1 4.41Å; L108-Y121 HydrophobicContact CD1-CE2 3.38Å; L108-Y121 HydrophobicContact CD1-CG 4.27Å; L108-Y121 HydrophobicContact CD2-CD1 3.61Å; L108-Y121 HydrophobicContact CD2-CD2 4.12Å; L108-Y121 HydrophobicContact CD2-CE1 3.45Å; L108-Y121 VanDerWaalsContact CD2-CE1 3.45Å; L108-Y121 HydrophobicContact CD2-CE2 3.97Å; L108-Y121 HydrophobicContact CD2-CG 3.95Å; L108-Y121 HydrophobicContact CG-CE2 4.36Å; V110-Y121 HydrophobicContact CB-CD2 4.43Å; V110-Y121 HydrophobicContact CB-CE2 4Å; V110-Y121 HydrophobicContact CG1-CD2 4.38Å; V110-Y121 HydrophobicContact CG1-CE2 4.43Å; V110-Y121 HydrophobicContact CG2-CD2 4.46Å; V110-Y121 HydrophobicContact CG2-CE2 3.97Å; A117-Y121 HydrophobicContact CB-CD2 4.39Å; A117-Y121 HydrophobicContact CB-CE2 3.88Å; A117-Y121 WeakPolarHBondContact O-CD2 3.22Å; A117-Y121 PolarHBondContact O-N 2.77Å; V118-Y121 PolarHBondContact O-N 3.46Å; Y121-S123 VanDerWaalsContact C-N 3.29Å; Y121-S123 PolarHBondContact O-N 3.23Å; Y121-L124 CarbonylContact O-C 3.49Å; Y121-L124 WeakPolarHBondContact O-CA 3.48Å; Y121-L124 WeakPolarHBondContact O-CB 3.43Å; Y121-L124 PolarHBondContact O-N 3.33Å; Y121-G125 PolarHBondContact O-N 3.49Å; Y121-Y126 WeakPolarHBondContact O-CB 3.43Å; Y121-Y126 WeakPolarHBondContact O-CD2 3.43Å; Y121-Y126 PolarHBondContact O-N 3.27Å; Y121-M147 HydrophobicContact CD2-SD 4.02Å; Y121-M147 HydrophobicContact CG-SD 4.42Å
122K96.9Very high95.6Very high95 Ų9549.1 Ų49.141%0.41328%0.279SS..Hα-helixtrans-56.2-43.7172.6-72.8176.6-173.6167.60111.9V118 E119 L124 G125 M147V118-K122 HydrophobicContact CG1-CD 4.36Å; V118-K122 WeakPolarHBondContact O-CG 3.49Å; V118-K122 PolarHBondContact O-N 2.99Å; E119-K122 IonicContact OE1-NZ 2.71Å; E119-K122 PolarHBondContact OE1-NZ 2.94Å; K122-L124 PolarHBondContact O-N 3.27Å; K122-G125 PolarHBondContact O-N 3.37Å; K122-M147 HydrophobicContact CG-CE 3.9Å
123S95.5Very high95.6Very high98 Ų9850.2 Ų50.269%0.68529%0.285SS*.Hα-helixtrans-63.6-23.4177.382.30000113.7E119 T120 Y121 G125E119-S123 WeakPolarHBondContact O-CB 3.37Å; E119-S123 PolarHBondContact O-N 2.96Å; T120-S123 PolarHBondContact O-N 3.38Å; T120-S123 PolarHBondContact O-OG 3.4Å; Y121-S123 VanDerWaalsContact C-N 3.29Å; Y121-S123 PolarHBondContact O-N 3.23Å; S123-G125 VanDerWaalsContact C-N 3.34Å
124L96Very high95.4Very high24 Ų2451.4 Ų51.413%0.12629%0.286CS..THydrogen-bonded Turntrans-87.7-2.5175.3-66.9169.1000113M91 T120 Y121 K122 Y126 K149M91-L124 HydrophobicContact CB-CD1 4.34Å; M91-L124 HydrophobicContact CE-CD1 4.32Å; M91-L124 HydrophobicContact CG-CD1 4.48Å; M91-L124 HydrophobicContact SD-CD1 3.36Å; M91-L124 WeakPolarHBondContact SD-CD1 3.26Å; T120-L124 HydrophobicContact CG2-CD1 4.39Å; T120-L124 WeakPolarHBondContact O-CG 3.35Å; T120-L124 PolarHBondContact O-N 3.29Å; Y121-L124 CarbonylContact O-C 3.49Å; Y121-L124 WeakPolarHBondContact O-CA 3.48Å; Y121-L124 WeakPolarHBondContact O-CB 3.43Å; Y121-L124 PolarHBondContact O-N 3.33Å; K122-L124 PolarHBondContact O-N 3.27Å; L124-Y126 HydrophobicContact CB-CD2 3.97Å; L124-Y126 HydrophobicContact CB-CE2 4.12Å; L124-K149 WeakPolarHBondContact O-CE 3.5Å; L124-K149 PolarHBondContact O-NZ 3.09Å
125G96.3Very high95.3Very high41 Ų4153.6 Ų53.642%0.42329%0.293SS..THydrogen-bonded Turntrans9512.3178.400000114.9Y121 K122 S123Y121-G125 PolarHBondContact O-N 3.49Å; K122-G125 PolarHBondContact O-N 3.37Å; S123-G125 VanDerWaalsContact C-N 3.34Å
126Y97.6Very high95.2Very high5 Ų550.7 Ų50.72%0.0227%0.272CS..  trans-75.8145.6171.3-69.2-108.2000110.3M91 V106 L108 Y121 L124 M147 R148 K149M91-Y126 HydrophobicContact CE-CD2 4.39Å; M91-Y126 HydrophobicContact CE-CE1 4.22Å; M91-Y126 HydrophobicContact CE-CE2 3.54Å; M91-Y126 VanDerWaalsContact CE-CZ 3.45Å; M91-Y126 WeakPolarHBondContact CE-OH 3.46Å; V106-Y126 HydrophobicContact CB-CE1 4.25Å; V106-Y126 HydrophobicContact CG1-CE1 4.24Å; V106-Y126 WeakPolarHBondContact CG1-OH 3.34Å; L108-Y126 HydrophobicContact CD2-CD1 4.04Å; L108-Y126 HydrophobicContact CD2-CE1 3.81Å; Y121-Y126 WeakPolarHBondContact O-CB 3.43Å; Y121-Y126 WeakPolarHBondContact O-CD2 3.43Å; Y121-Y126 PolarHBondContact O-N 3.27Å; L124-Y126 HydrophobicContact CB-CD2 3.97Å; L124-Y126 HydrophobicContact CB-CE2 4.12Å; Y126-M147 HydrophobicContact CD1-CB 4.4Å; Y126-R148 CarbonylContact C-O 3.57Å; Y126-R148 WeakPolarHBondContact CA-O 3.34Å; Y126-K149 HydrophobicContact CD1-CB 3.74Å; Y126-K149 HydrophobicContact CD2-CB 3.99Å; Y126-K149 HydrophobicContact CD2-CD 3.95Å; Y126-K149 HydrophobicContact CE1-CB 3.75Å; Y126-K149 HydrophobicContact CE2-CB 3.99Å; Y126-K149 HydrophobicContact CE2-CD 3.66Å; Y126-K149 HydrophobicContact CE2-CG 4.5Å; Y126-K149 HydrophobicContact CG-CB 3.84Å
127V96.4Very high94.8Very high60 Ų6051.5 Ų51.536%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-117.8149.6173.1-59.70000109.6Y129 M147 R148 I160V127-Y129 PolarHBondContact O-N 3.01Å; V127-Y129 VanDerWaalsContact O-N 3.16Å; V127-M147 CarbonylContact O-C 3.38Å; V127-M147 VanDerWaalsContact O-CA 3.23Å; V127-M147 WeakPolarHBondContact O-CA 3.36Å; V127-R148 WeakPolarHBondContact CG2-O 3.48Å; V127-R148 PolarHBondContact N-O 2.82Å; V127-R148 PolarHBondContact O-N 2.69Å; V127-I160 HydrophobicContact CG2-CB 3.78Å; V127-I160 HydrophobicContact CG2-CG2 3.76Å
128V96.2Very high94.1Very high61 Ų6153.1 Ų53.137%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-69.1112.9170.3178.70000107.5Y145 M147V128-Y145 HydrophobicContact CG1-CD1 3.47Å; V128-Y145 VanDerWaalsContact CG1-CD1 3.47Å; V128-Y145 HydrophobicContact CG1-CE1 4.05Å; V128-Y145 HydrophobicContact CG1-CG 3.98Å; V128-Y145 HydrophobicContact CG2-CD1 4.3Å; V128-Y145 HydrophobicContact CG2-CD2 4.39Å; V128-Y145 HydrophobicContact CG2-CG 4.13Å; V128-M147 HydrophobicContact CG2-CE 4.21Å; V128-M147 HydrophobicContact CG2-CG 4.27Å
129Y95.5Very high93.2Very high20 Ų2062.2 Ų62.28%0.07834%0.342CS..EExtended strand (participates in β ladder)trans-79.6-55.7175.9-177.5-106.4000109.4V127 D146 R148 S159 R161 P162V127-Y129 PolarHBondContact O-N 3.01Å; V127-Y129 VanDerWaalsContact O-N 3.16Å; Y129-D146 WeakPolarHBondContact CB-O 3.45Å; Y129-D146 WeakPolarHBondContact CD1-OD2 3.18Å; Y129-D146 PolarHBondContact N-O 3.38Å; Y129-R148 HydrophobicContact CG-CG 4.11Å; Y129-S159 WeakPolarHBondContact CD2-O 3.43Å; Y129-S159 WeakPolarHBondContact CE2-O 3.41Å; Y129-R161 WeakPolarHBondContact CE2-O 3.47Å; Y129-P162 HydrophobicContact CD1-CB 4.42Å; Y129-P162 HydrophobicContact CD2-CB 4.09Å; Y129-P162 HydrophobicContact CE1-CB 4.27Å; Y129-P162 VanDerWaalsContact CE2-CA 3.42Å; Y129-P162 HydrophobicContact CE2-CB 4Å; Y129-P162 VanDerWaalsContact CE2-N 3.35Å; Y129-P162 HydrophobicContact CG-CB 4.32Å; Y129-P162 WeakPolarHBondContact O-CB 3.37Å; Y129-P162 WeakPolarHBondContact O-CG 3.29Å
130R95.3Very high92.6Very high11 Ų1163.5 Ų63.54%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-148.7166.7177.262.3-173.3132.6-166.1-4.5111.7D146 R148 K164 V167 E175R130-D146 HydrophobicContact CG-CB 3.67Å; R130-D146 IonicContact CZ-OD2 3.79Å; R130-D146 PolarHBondContact N-O 3.36Å; R130-D146 IonicContact NE-OD2 2.65Å; R130-D146 PolarHBondContact NE-OD2 2.67Å; R130-D146 IonicContact NH2-OD2 3.86Å; R130-D146 PolarHBondContact O-N 3.13Å; R130-R148 VanDerWaalsContact NH2-NH2 3.19Å; R130-K164 WeakPolarHBondContact CB-O 3.38Å; R130-V167 HydrophobicContact CG-CG2 4.4Å; R130-E175 IonicContact CZ-OE2 2.64Å; R130-E175 IonicContact NH1-OE2 3.97Å; R130-E175 PolarHBondContact NH1-OE2 2.88Å; R130-E175 IonicContact NH2-OE2 3.62Å
131R96Very high92.3Very high110 Ų11065.8 Ų65.842%0.41536%0.363SS..EExtended strand (participates in β ladder)trans-99.8130.1168.8179.4172.1172.9177.4-3.1109I112 D143 A144 Y145 A165 V166 V167I112-R131 HydrophobicContact CD1-CG 4.04Å; R131-D143 HydrophobicContact CG-CB 4.26Å; R131-D143 IonicContact CZ-OD2 3.88Å; R131-D143 IonicContact NE-OD2 3.77Å; R131-D143 PolarHBondContact NE-OD2 3.19Å; R131-D143 IonicContact NH2-OD2 3.81Å; R131-D143 PolarHBondContact NH2-OD2 3.22Å; R131-A144 CarbonylContact C-O 3.54Å; R131-A144 WeakPolarHBondContact CA-O 3.43Å; R131-Y145 HydrophobicContact CB-CD1 4.43Å; R131-A165 PolarHBondContact N-O 2.78Å; R131-V166 HydrophobicContact CB-CG2 4.33Å; R131-V166 VanDerWaalsContact O-CA 3.29Å; R131-V166 WeakPolarHBondContact O-CA 3.42Å; R131-V167 PolarHBondContact O-N 2.77Å
132V95.2Very high92.1Very high0 Ų066.5 Ų66.50%037%0.367CS..EExtended strand (participates in β ladder)trans-105.8115.3175.9-168.50000108.3F109 Y135 D143 A144 D146 V167 P169 L172F109-V132 HydrophobicContact CD1-CG2 4.35Å; F109-V132 HydrophobicContact CE1-CG2 3.99Å; V132-Y135 HydrophobicContact CB-CD2 4.33Å; V132-Y135 HydrophobicContact CG1-CD2 3.82Å; V132-Y135 HydrophobicContact CG1-CG 4.32Å; V132-D143 CarbonylContact O-C 3.51Å; V132-D143 WeakPolarHBondContact O-CA 3.48Å; V132-D143 WeakPolarHBondContact O-CB 3.46Å; V132-A144 HydrophobicContact CB-CB 4.39Å; V132-A144 PolarHBondContact N-O 2.82Å; V132-A144 PolarHBondContact O-N 2.72Å; V132-D146 HydrophobicContact CG2-CB 4.34Å; V132-V167 VanDerWaalsContact CA-O 3.31Å; V132-V167 WeakPolarHBondContact CA-O 2.96Å; V132-V167 HydrophobicContact CG2-CG2 4.27Å; V132-P169 HydrophobicContact CG1-CB 4.27Å; V132-P169 HydrophobicContact CG1-CG 3.99Å; V132-L172 HydrophobicContact CG1-CD1 3.94Å; V132-L172 HydrophobicContact CG1-CG 4.29Å; V132-L172 HydrophobicContact CG2-CD1 4.29Å; V132-L172 HydrophobicContact CG2-CD2 3.9Å
133I93.6Very high92.1Very high65 Ų6562.8 Ų62.833%0.33335%0.351SS..EExtended strand (participates in β ladder)trans-69.4137.6-176.4-61.8166.9000109.9Y135 D143 V166 V167 P169I133-Y135 PolarHBondContact O-N 3.1Å; I133-D143 WeakPolarHBondContact CA-OD1 3.18Å; I133-V166 HydrophobicContact CD1-CG1 3.4Å; I133-V166 VanDerWaalsContact CD1-CG1 3.4Å; I133-V166 HydrophobicContact CG1-CG1 3.49Å; I133-V166 VanDerWaalsContact CG1-CG1 3.49Å; I133-V167 PolarHBondContact N-O 2.98Å; I133-P169 WeakPolarHBondContact O-CD 3.42Å; I133-P169 WeakPolarHBondContact O-CG 3.35Å
134D91.8Very high92.1Very high87 Ų8758.1 Ų58.147%0.46532%0.319SS..EExtended strand (participates in β ladder)trans49.437.6172.4-57.7-33000113.5D141 D143D134-D141 HydrophobicContact CB-CB 4.1Å; D134-D143 PolarHBondContact N-OD1 3.23Å
135Y92.9Very high92.1Very high68 Ų6859.9 Ų59.927%0.26732%0.324SS..EExtended strand (participates in β ladder)trans-71.1-40.9-176.3-178.9-94.6000112.1F109 V132 I133 E142 A144 P169 L172F109-Y135 HydrophobicContact CB-CD1 4.36Å; F109-Y135 HydrophobicContact CB-CE1 3.76Å; F109-Y135 HydrophobicContact CD1-CE2 4.27Å; F109-Y135 HydrophobicContact CD2-CE1 4.1Å; F109-Y135 HydrophobicContact CD2-CE2 4.08Å; F109-Y135 AromaticContact CD2-CZ 3.49Å; F109-Y135 VanDerWaalsContact CD2-CZ 3.49Å; F109-Y135 WeakPolarHBondContact CD2-OH 3.49Å; F109-Y135 HydrophobicContact CE1-CE2 4.34Å; F109-Y135 HydrophobicContact CE2-CE2 4.15Å; F109-Y135 AromaticContact CE2-CZ 3.97Å; F109-Y135 WeakPolarHBondContact CE2-OH 3.37Å; F109-Y135 AromaticContact CG-CE1 3.87Å; F109-Y135 HydrophobicContact CG-CE1 3.87Å; F109-Y135 HydrophobicContact CG-CE2 4.14Å; F109-Y135 AromaticContact CG-CZ 3.64Å; F109-Y135 HydrophobicContact CZ-CE2 4.29Å; V132-Y135 HydrophobicContact CB-CD2 4.33Å; V132-Y135 HydrophobicContact CG1-CD2 3.82Å; V132-Y135 HydrophobicContact CG1-CG 4.32Å; I133-Y135 PolarHBondContact O-N 3.1Å; Y135-E142 PolarHBondContact N-O 2.89Å; Y135-A144 HydrophobicContact CD1-CB 3.65Å; Y135-A144 HydrophobicContact CG-CB 3.72Å; Y135-P169 HydrophobicContact CD2-CB 4.48Å; Y135-L172 HydrophobicContact CD2-CD1 4.02Å; Y135-L172 HydrophobicContact CE2-CD1 3.79Å
136Y91.2Very high92.2Very high32 Ų3258 Ų5813%0.12530%0.304CS..EExtended strand (participates in β ladder)trans-98.1113.6177.8-65.6-80.4000110.4E25 F109 R111 D141 E142 A144E25-Y136 HydrophobicContact CG-CE1 4.26Å; F109-Y136 VanDerWaalsContact C-OH 3.29Å; F109-Y136 PolarHBondContact O-OH 3.21Å; R111-Y136 HydrophobicContact CB-CD2 4.29Å; R111-Y136 HydrophobicContact CB-CE2 4.11Å; R111-Y136 HydrophobicContact CG-CD1 4.13Å; R111-Y136 HydrophobicContact CG-CD2 3.32Å; R111-Y136 HydrophobicContact CG-CE1 4.19Å; R111-Y136 HydrophobicContact CG-CE2 3.37Å; R111-Y136 HydrophobicContact CG-CG 3.72Å; R111-Y136 VanDerWaalsContact CZ-CB 3.46Å; R111-Y136 VanDerWaalsContact N-CE2 3.34Å; Y136-D141 WeakPolarHBondContact O-CA 3.36Å; Y136-E142 PolarHBondContact N-O 3.25Å; Y136-E142 PolarHBondContact O-N 2.94Å; Y136-A144 HydrophobicContact CD2-CB 4.04Å; Y136-A144 HydrophobicContact CE2-CB 3.55Å
137S86.3Confident92.2Very high102 Ų10257.8 Ų57.871%0.71330%0.303SS*.  trans-75.6139.5173.2580000111.7D141S137-D141 WeakPolarHBondContact CA-OD1 3.09Å
138G80.2Confident92.2Very high51 Ų5155.5 Ų55.553%0.52629%0.288SS..SBendtrans-169.3-156.3178.100000113N140 D141G138-N140 PolarHBondContact O-N 3.01Å; G138-D141 PolarHBondContact N-OD1 3.34Å
139E77.3Confident92.3Very high198 Ų19854.4 Ų54.493%0.92528%0.279SS*.SBendtrans-64.5-33.7169.4-69.2-173167.500111.7
140N83.2Confident92.3Very high135 Ų13555 Ų5572%0.72229%0.285SS*.SBendtrans-126.3122.7166.2-58.7-73.9000106.6G138 E142G138-N140 PolarHBondContact O-N 3.01Å; N140-E142 PolarHBondContact O-N 3.09Å
141D88.1Confident92.4Very high97 Ų9755.1 Ų55.152%0.51929%0.286SS..  trans-60.3137.4173-65.9-23.3000109D134 Y136 S137 G138D134-D141 HydrophobicContact CB-CB 4.1Å; Y136-D141 WeakPolarHBondContact O-CA 3.36Å; S137-D141 WeakPolarHBondContact CA-OD1 3.09Å; G138-D141 PolarHBondContact N-OD1 3.34Å
142E92.7Very high92.4Very high36 Ų3656.7 Ų56.717%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-130.2129.6-173.4-165.6-169.6175.100111R111 I112 S113 Y135 Y136 N140R111-E142 WeakPolarHBondContact CB-OE1 3.47Å; R111-E142 VanDerWaalsContact CD-OE2 3.3Å; R111-E142 WeakPolarHBondContact CD-OE2 3.47Å; R111-E142 WeakPolarHBondContact CG-OE2 3.39Å; R111-E142 IonicContact CZ-OE2 3.55Å; R111-E142 IonicContact NE-OE2 2.76Å; R111-E142 IonicContact NH1-OE2 3.86Å; R111-E142 PolarHBondContact NH1-OE2 3.2Å; I112-E142 PolarHBondContact N-OE1 2.78Å; S113-E142 WeakPolarHBondContact CA-OE1 3.46Å; S113-E142 WeakPolarHBondContact CB-OE1 3.47Å; S113-E142 PolarHBondContact N-OE1 3.35Å; S113-E142 PolarHBondContact OG-OE1 3.45Å; S113-E142 PolarHBondContact OG-OE2 3.14Å; Y135-E142 PolarHBondContact N-O 2.89Å; Y136-E142 PolarHBondContact N-O 3.25Å; Y136-E142 PolarHBondContact O-N 2.94Å; N140-E142 PolarHBondContact O-N 3.09Å
143D95.8Very high92.5Very high17 Ų1758.3 Ų58.39%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-63.5153.3173.5-66.819000112.1I112 R131 V132 I133 D134I112-D143 HydrophobicContact CD1-CB 3.49Å; I112-D143 VanDerWaalsContact CD1-CB 3.49Å; I112-D143 HydrophobicContact CG1-CB 4.21Å; I112-D143 WeakPolarHBondContact CG1-O 3.47Å; I112-D143 PolarHBondContact N-O 2.81Å; R131-D143 HydrophobicContact CG-CB 4.26Å; R131-D143 IonicContact CZ-OD2 3.88Å; R131-D143 IonicContact NE-OD2 3.77Å; R131-D143 PolarHBondContact NE-OD2 3.19Å; R131-D143 IonicContact NH2-OD2 3.81Å; R131-D143 PolarHBondContact NH2-OD2 3.22Å; V132-D143 CarbonylContact O-C 3.51Å; V132-D143 WeakPolarHBondContact O-CA 3.48Å; V132-D143 WeakPolarHBondContact O-CB 3.46Å; I133-D143 WeakPolarHBondContact CA-OD1 3.18Å; D134-D143 PolarHBondContact N-OD1 3.23Å
144A96.4Very high92.5Very high0 Ų055.6 Ų55.60%030%0.302CS..EExtended strand (participates in β ladder)trans-109.7150170.900000111.2F109 V110 R131 V132 Y135 Y136F109-A144 HydrophobicContact CB-CB 4.29Å; F109-A144 HydrophobicContact CD1-CB 4.35Å; V110-A144 CarbonylContact O-C 3.56Å; V110-A144 WeakPolarHBondContact O-CA 3.45Å; R131-A144 CarbonylContact C-O 3.54Å; R131-A144 WeakPolarHBondContact CA-O 3.43Å; V132-A144 HydrophobicContact CB-CB 4.39Å; V132-A144 PolarHBondContact N-O 2.82Å; V132-A144 PolarHBondContact O-N 2.72Å; Y135-A144 HydrophobicContact CD1-CB 3.65Å; Y135-A144 HydrophobicContact CG-CB 3.72Å; Y136-A144 HydrophobicContact CD2-CB 4.04Å; Y136-A144 HydrophobicContact CE2-CB 3.55Å
145Y97Very high92.6Very high62 Ų6257.9 Ų57.924%0.24332%0.318CS..EExtended strand (participates in β ladder)trans-87.7126.2153.6-67.1-49.9000109.3F109 V110 I112 V118 V128 R131F109-Y145 WeakPolarHBondContact CA-O 3.4Å; V110-Y145 PolarHBondContact N-O 3.45Å; V110-Y145 PolarHBondContact O-N 3.16Å; I112-Y145 HydrophobicContact CB-CD2 4.5Å; I112-Y145 HydrophobicContact CB-CE2 4.1Å; I112-Y145 HydrophobicContact CD1-CD1 4.26Å; I112-Y145 HydrophobicContact CD1-CE1 3.84Å; I112-Y145 HydrophobicContact CD1-CE2 4.31Å; I112-Y145 HydrophobicContact CG1-CD1 4.18Å; I112-Y145 HydrophobicContact CG1-CD2 3.86Å; I112-Y145 HydrophobicContact CG1-CE1 4.03Å; I112-Y145 HydrophobicContact CG1-CE2 3.7Å; I112-Y145 HydrophobicContact CG1-CG 4.09Å; I112-Y145 HydrophobicContact CG2-CE2 3.83Å; V118-Y145 HydrophobicContact CG2-CD2 4.14Å; V128-Y145 HydrophobicContact CG1-CD1 3.47Å; V128-Y145 VanDerWaalsContact CG1-CD1 3.47Å; V128-Y145 HydrophobicContact CG1-CE1 4.05Å; V128-Y145 HydrophobicContact CG1-CG 3.98Å; V128-Y145 HydrophobicContact CG2-CD1 4.3Å; V128-Y145 HydrophobicContact CG2-CD2 4.39Å; V128-Y145 HydrophobicContact CG2-CG 4.13Å; R131-Y145 HydrophobicContact CB-CD1 4.43Å
146D96.5Very high92.6Very high1 Ų156.5 Ų56.51%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-78.5109.6157.3171.6-3.7000106.2F109 Y129 R130 V132 R148F109-D146 HydrophobicContact CD1-CB 4.13Å; F109-D146 HydrophobicContact CE1-CB 3.84Å; Y129-D146 WeakPolarHBondContact CB-O 3.45Å; Y129-D146 WeakPolarHBondContact CD1-OD2 3.18Å; Y129-D146 PolarHBondContact N-O 3.38Å; R130-D146 HydrophobicContact CG-CB 3.67Å; R130-D146 IonicContact CZ-OD2 3.79Å; R130-D146 PolarHBondContact N-O 3.36Å; R130-D146 IonicContact NE-OD2 2.65Å; R130-D146 PolarHBondContact NE-OD2 2.67Å; R130-D146 IonicContact NH2-OD2 3.86Å; R130-D146 PolarHBondContact O-N 3.13Å; V132-D146 HydrophobicContact CG2-CB 4.34Å; D146-R148 WeakPolarHBondContact OD1-CG 3.13Å; D146-R148 IonicContact OD1-NE 2.83Å; D146-R148 PolarHBondContact OD1-NE 3.36Å; D146-R148 IonicContact OD2-NE 3.28Å; D146-R148 IonicContact OD2-NH2 3.52Å
147M97.6Very high92.7Very high0 Ų060.7 Ų60.70%034%0.344CS..EExtended strand (participates in β ladder)trans-107.5130.9179.6-67.1-166.274.100110.3D107 L108 V110 V118 Y121 K122 Y126 V127 V128D107-M147 CarbonylContact C-O 3.54Å; D107-M147 VanDerWaalsContact CA-O 3.25Å; D107-M147 WeakPolarHBondContact CA-O 3.33Å; L108-M147 HydrophobicContact CD1-CB 4.03Å; L108-M147 HydrophobicContact CD1-CG 4.5Å; L108-M147 HydrophobicContact CG-CB 4.23Å; L108-M147 PolarHBondContact N-O 3.31Å; L108-M147 VanDerWaalsContact N-O 3.12Å; L108-M147 PolarHBondContact O-N 3.24Å; V110-M147 HydrophobicContact CG1-CG 4.07Å; V110-M147 HydrophobicContact CG1-SD 3.8Å; V118-M147 HydrophobicContact CG1-SD 4.43Å; Y121-M147 HydrophobicContact CD2-SD 4.02Å; Y121-M147 HydrophobicContact CG-SD 4.42Å; K122-M147 HydrophobicContact CG-CE 3.9Å; Y126-M147 HydrophobicContact CD1-CB 4.4Å; V127-M147 CarbonylContact O-C 3.38Å; V127-M147 VanDerWaalsContact O-CA 3.23Å; V127-M147 WeakPolarHBondContact O-CA 3.36Å; V128-M147 HydrophobicContact CG2-CE 4.21Å; V128-M147 HydrophobicContact CG2-CG 4.27Å
148R97.4Very high92.9Very high13 Ų1363 Ų635%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-122.1147.3-177.4-64.3-174.3-179.9-161.5-15.3112.8Y105 V106 D107 Y126 V127 Y129 R130 D146 S159 I160Y105-R148 HydrophobicContact CD2-CB 4.45Å; Y105-R148 HydrophobicContact CD2-CG 4.07Å; Y105-R148 HydrophobicContact CE2-CG 4.32Å; Y105-R148 VanDerWaalsContact CE2-CZ 3.46Å; Y105-R148 PolarHBondContact OH-NH1 3.24Å; Y105-R148 PolarHBondContact OH-NH2 2.93Å; V106-R148 CarbonylContact O-C 3.54Å; V106-R148 VanDerWaalsContact O-CA 3.31Å; V106-R148 WeakPolarHBondContact O-CA 3.36Å; D107-R148 HydrophobicContact CB-CG 3.82Å; Y126-R148 CarbonylContact C-O 3.57Å; Y126-R148 WeakPolarHBondContact CA-O 3.34Å; V127-R148 WeakPolarHBondContact CG2-O 3.48Å; V127-R148 PolarHBondContact N-O 2.82Å; V127-R148 PolarHBondContact O-N 2.69Å; Y129-R148 HydrophobicContact CG-CG 4.11Å; R130-R148 VanDerWaalsContact NH2-NH2 3.19Å; D146-R148 WeakPolarHBondContact OD1-CG 3.13Å; D146-R148 IonicContact OD1-NE 2.83Å; D146-R148 PolarHBondContact OD1-NE 3.36Å; D146-R148 IonicContact OD2-NE 3.28Å; D146-R148 IonicContact OD2-NH2 3.52Å; R148-S159 WeakPolarHBondContact CD-O 3.45Å; R148-S159 PolarHBondContact NH1-O 3.12Å; R148-I160 HydrophobicContact CB-CG2 4.39Å
149K97.3Very high93.4Very high38 Ų3861.1 Ų61.117%0.16532%0.316CS..EExtended strand (participates in β ladder)trans-128.8124.9168.9179.6175.7172.3178.30109.4E95 Y105 V106 L124 Y126E95-K149 WeakPolarHBondContact OE1-CD 3.38Å; E95-K149 IonicContact OE1-NZ 3.44Å; E95-K149 PolarHBondContact OE1-NZ 3.01Å; E95-K149 IonicContact OE2-NZ 3.93Å; E95-K149 PolarHBondContact OE2-NZ 2.94Å; Y105-K149 CarbonylContact C-O 3.56Å; Y105-K149 VanDerWaalsContact CA-O 3.26Å; Y105-K149 WeakPolarHBondContact CA-O 3.47Å; Y105-K149 WeakPolarHBondContact CB-O 3.48Å; V106-K149 PolarHBondContact N-O 3.37Å; V106-K149 PolarHBondContact O-N 2.82Å; L124-K149 WeakPolarHBondContact O-CE 3.5Å; L124-K149 PolarHBondContact O-NZ 3.09Å; Y126-K149 HydrophobicContact CD1-CB 3.74Å; Y126-K149 HydrophobicContact CD2-CB 3.99Å; Y126-K149 HydrophobicContact CD2-CD 3.95Å; Y126-K149 HydrophobicContact CE1-CB 3.75Å; Y126-K149 HydrophobicContact CE2-CB 3.99Å; Y126-K149 HydrophobicContact CE2-CD 3.66Å; Y126-K149 HydrophobicContact CE2-CG 4.5Å; Y126-K149 HydrophobicContact CG-CB 3.84Å
150P96.8Very high94Very high32 Ų3253.8 Ų53.821%0.20828%0.282CS..EExtended strand (participates in β ladder)trans-72.6142.1179.931-29.5000109.6D154 K157 I160P150-D154 HydrophobicContact CB-CB 4.4Å; P150-K157 HydrophobicContact CB-CG 4.37Å; P150-K157 HydrophobicContact CG-CD 4.46Å; P150-K157 HydrophobicContact CG-CG 4.28Å; P150-I160 HydrophobicContact CB-CG2 4.23Å; P150-I160 HydrophobicContact CG-CG2 3.99Å
151L97.3Very high94.3Very high14 Ų1455.8 Ų55.87%0.07328%0.28CS..  trans-103.3-176.3176-68.4-179.5000110.7F98 C103 Y104 V106 A153 D154F98-L151 HydrophobicContact CB-CD1 3.54Å; C103-L151 HydrophobicContact CB-CD1 3.65Å; C103-L151 VanDerWaalsContact O-CB 3.26Å; C103-L151 WeakPolarHBondContact O-CB 3.46Å; C103-L151 WeakPolarHBondContact O-CD1 3.5Å; Y104-L151 PolarHBondContact O-N 3.27Å; V106-L151 HydrophobicContact CG2-CD1 3.64Å; V106-L151 HydrophobicContact CG2-CD2 3.89Å; V106-L151 HydrophobicContact CG2-CG 3.91Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.43Å; L151-D154 PolarHBondContact O-N 2.72Å
152L96.5Very high93.9Very high142 Ų14253.9 Ų53.974%0.74327%0.273SS*.THydrogen-bonded Turntrans-64-30.1-173.4-66.4174.5000113.6N99N99-L152 HydrophobicContact CB-CD1 4.29Å; N99-L152 WeakPolarHBondContact OD1-CB 3.48Å; N99-L152 WeakPolarHBondContact OD1-CG 3.5Å; N99-L152 PolarHBondContact OD1-N 2.93Å
153A95.7Very high93.2Very high34 Ų3457.3 Ų57.328%0.28130%0.296SS..THydrogen-bonded Turntrans-70.5-29.417900000112.9Y104 L151 V155Y104-A153 HydrophobicContact CD2-CB 4.34Å; Y104-A153 HydrophobicContact CE2-CB 4.47Å; Y104-A153 HydrophobicContact CG-CB 4.34Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.43Å; A153-V155 VanDerWaalsContact C-N 3.27Å; A153-V155 PolarHBondContact O-N 3.38Å
154D95.6Very high92.5Very high9 Ų961 Ų615%0.04831%0.312CS..  trans-84.166176.9-17415.9000112.3Y104 P150 L151 G156 K157 R158 S159Y104-D154 HydrophobicContact CD1-CB 3.94Å; Y104-D154 WeakPolarHBondContact O-CB 3.2Å; P150-D154 HydrophobicContact CB-CB 4.4Å; L151-D154 PolarHBondContact O-N 2.72Å; D154-G156 PolarHBondContact O-N 3.03Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-K157 VanDerWaalsContact CG-CA 3.5Å; D154-K157 PolarHBondContact O-N 3.02Å; D154-K157 WeakPolarHBondContact OD1-CA 3.29Å; D154-K157 PolarHBondContact OD1-N 2.87Å; D154-K157 VanDerWaalsContact OD2-C 3.27Å; D154-K157 WeakPolarHBondContact OD2-CA 3.34Å; D154-R158 VanDerWaalsContact CG-N 3.35Å; D154-R158 PolarHBondContact OD1-N 3.37Å; D154-R158 PolarHBondContact OD2-N 3.37Å; D154-S159 WeakPolarHBondContact OD2-CB 3.43Å; D154-S159 PolarHBondContact OD2-N 2.95Å; D154-S159 PolarHBondContact OD2-OG 3.39Å
155V93.2Very high92.1Very high134 Ų13464.4 Ų64.481%0.81234%0.34SS*.THydrogen-bonded Turntrans-53.9-35.6179.5-179.40000111.9A153A153-V155 VanDerWaalsContact C-N 3.27Å; A153-V155 PolarHBondContact O-N 3.38Å
156G93Very high91.9Very high39 Ų3965 Ų6540%0.40235%0.35SS..THydrogen-bonded Turntrans-82.7-7.6-178.800000114.8D154 R158D154-G156 PolarHBondContact O-N 3.03Å; D154-G156 VanDerWaalsContact O-N 3.14Å; G156-R158 PolarHBondContact O-N 3.44Å
157K92.3Very high91.7Very high120 Ų12065 Ų6552%0.52235%0.35SS..  trans49.743.5-170.8-59.4-174.7-179.1-177.70111.6P150 D154 I160P150-K157 HydrophobicContact CB-CG 4.37Å; P150-K157 HydrophobicContact CG-CD 4.46Å; P150-K157 HydrophobicContact CG-CG 4.28Å; D154-K157 VanDerWaalsContact CG-CA 3.5Å; D154-K157 PolarHBondContact O-N 3.02Å; D154-K157 WeakPolarHBondContact OD1-CA 3.29Å; D154-K157 PolarHBondContact OD1-N 2.87Å; D154-K157 VanDerWaalsContact OD2-C 3.27Å; D154-K157 WeakPolarHBondContact OD2-CA 3.34Å; K157-I160 HydrophobicContact CB-CD1 3.94Å; K157-I160 HydrophobicContact CB-CG1 4.03Å; K157-I160 HydrophobicContact CD-CD1 4.39Å; K157-I160 VanDerWaalsContact O-CG1 3.24Å; K157-I160 WeakPolarHBondContact O-CG1 3.36Å
158R91.5Very high91.4Very high151 Ų15167.1 Ų67.157%0.5736%0.363SS*.  trans-75.5-34.5179.7-59.6-174.7-166.2162.27.5110.8E66 D154 G156 I160 R161E66-R158 IonicContact OE1-CZ 3.03Å; E66-R158 IonicContact OE1-NH1 3.83Å; E66-R158 PolarHBondContact OE1-NH1 2.95Å; E66-R158 IonicContact OE2-CZ 3.68Å; E66-R158 IonicContact OE2-NH1 2.97Å; E66-R158 PolarHBondContact OE2-NH1 3.46Å; D154-R158 VanDerWaalsContact CG-N 3.35Å; D154-R158 PolarHBondContact OD1-N 3.37Å; D154-R158 PolarHBondContact OD2-N 3.37Å; G156-R158 PolarHBondContact O-N 3.44Å; R158-I160 PolarHBondContact O-N 2.76Å; R158-I160 VanDerWaalsContact O-N 3.11Å; R158-R161 PolarHBondContact O-N 2.89Å; R158-R161 VanDerWaalsContact O-N 3.09Å
159S89.8Confident90.9Very high12 Ų1268.2 Ų68.28%0.08437%0.372CS..THydrogen-bonded Turntrans-61.9-20.2-176.862.90000114.7Y129 R148 D154Y129-S159 WeakPolarHBondContact CD2-O 3.43Å; Y129-S159 WeakPolarHBondContact CE2-O 3.41Å; R148-S159 WeakPolarHBondContact CD-O 3.45Å; R148-S159 PolarHBondContact NH1-O 3.12Å; D154-S159 WeakPolarHBondContact OD2-CB 3.43Å; D154-S159 PolarHBondContact OD2-N 2.95Å; D154-S159 PolarHBondContact OD2-OG 3.39Å
160I91.1Very high90.4Very high44 Ų4473 Ų7323%0.22640%0.395CS..THydrogen-bonded Turntrans-96.73.8-179.960.6165.6000114.2V127 R148 P150 K157 R158 P162V127-I160 HydrophobicContact CG2-CB 3.78Å; V127-I160 HydrophobicContact CG2-CG2 3.76Å; R148-I160 HydrophobicContact CB-CG2 4.39Å; P150-I160 HydrophobicContact CB-CG2 4.23Å; P150-I160 HydrophobicContact CG-CG2 3.99Å; K157-I160 HydrophobicContact CB-CD1 3.94Å; K157-I160 HydrophobicContact CB-CG1 4.03Å; K157-I160 HydrophobicContact CD-CD1 4.39Å; K157-I160 VanDerWaalsContact O-CG1 3.24Å; K157-I160 WeakPolarHBondContact O-CG1 3.36Å; R158-I160 PolarHBondContact O-N 2.76Å; R158-I160 VanDerWaalsContact O-N 3.11Å; I160-P162 WeakPolarHBondContact O-CD 3.49Å
161R88.5Confident89.8Confident176 Ų17674.7 Ų74.766%0.66440%0.4SS*.SBendtrans-104.3101.4179.6-61.4-178.6-172.2-169.31109.5Y129 R158Y129-R161 WeakPolarHBondContact CE2-O 3.47Å; R158-R161 PolarHBondContact O-N 2.89Å; R158-R161 VanDerWaalsContact O-N 3.09Å
162P79.1Confident89.1Confident58 Ų5875 Ų7538%0.37740%0.402SS..  trans-68.4139.4-178.428.7-36.5000112.2Y129 I160Y129-P162 HydrophobicContact CD1-CB 4.42Å; Y129-P162 HydrophobicContact CD2-CB 4.09Å; Y129-P162 HydrophobicContact CE1-CB 4.27Å; Y129-P162 VanDerWaalsContact CE2-CA 3.42Å; Y129-P162 HydrophobicContact CE2-CB 4Å; Y129-P162 VanDerWaalsContact CE2-N 3.35Å; Y129-P162 HydrophobicContact CG-CB 4.32Å; Y129-P162 WeakPolarHBondContact O-CB 3.37Å; Y129-P162 WeakPolarHBondContact O-CG 3.29Å; I160-P162 WeakPolarHBondContact O-CD 3.49Å
163T79Confident87.8Confident108 Ų10875.1 Ų75.166%0.66339%0.393SS*.SBendtrans-74.7-40.2166.850.90000110.7
164K81.4Confident85.9Confident95 Ų9578.5 Ų78.541%0.41341%0.41SS..  trans-127.5129.7176.1-64.7-177.8-174177.60110.4R130 V166 V167 E171R130-K164 WeakPolarHBondContact CB-O 3.38Å; K164-V166 VanDerWaalsContact C-N 3.34Å; K164-V167 HydrophobicContact CB-CG1 3.73Å; K164-V167 HydrophobicContact CD-CG1 3.87Å; K164-V167 HydrophobicContact CG-CG1 4.47Å; K164-E171 IonicContact NZ-OE1 3.73Å; K164-E171 IonicContact NZ-OE2 3.16Å; K164-E171 PolarHBondContact NZ-OE2 2.86Å
165A88.2Confident83.6Confident71 Ų7182.2 Ų82.259%0.58743%0.427SS*.SBendtrans-73.7-26.2178.700000113.2R131R131-A165 PolarHBondContact N-O 2.78Å
166V92.3Very high81.1Confident75 Ų7580.4 Ų80.446%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-138.9130.8-177-172.50000109.1R131 I133 K164R131-V166 HydrophobicContact CB-CG2 4.33Å; R131-V166 VanDerWaalsContact O-CA 3.29Å; R131-V166 WeakPolarHBondContact O-CA 3.42Å; I133-V166 HydrophobicContact CD1-CG1 3.4Å; I133-V166 VanDerWaalsContact CD1-CG1 3.4Å; I133-V166 HydrophobicContact CG1-CG1 3.49Å; I133-V166 VanDerWaalsContact CG1-CG1 3.49Å; K164-V166 VanDerWaalsContact C-N 3.34Å
167V92Very high78.1Confident1 Ų188.1 Ų88.11%0.00645%0.452CS..EExtended strand (participates in β ladder)trans-140.6152.6179-61.10000111R130 R131 V132 I133 K164 E171 L172R130-V167 HydrophobicContact CG-CG2 4.4Å; R131-V167 PolarHBondContact O-N 2.77Å; V132-V167 VanDerWaalsContact CA-O 3.31Å; V132-V167 WeakPolarHBondContact CA-O 2.96Å; V132-V167 HydrophobicContact CG2-CG2 4.27Å; I133-V167 PolarHBondContact N-O 2.98Å; K164-V167 HydrophobicContact CB-CG1 3.73Å; K164-V167 HydrophobicContact CD-CG1 3.87Å; K164-V167 HydrophobicContact CG-CG1 4.47Å; V167-E171 HydrophobicContact CB-CB 4.32Å; V167-L172 HydrophobicContact CG2-CD2 4.13Å
168P90.7Very high77.4Confident44 Ų4486.6 Ų86.629%0.28645%0.449SS..  trans-79.7160.2167.537-37.1000110.7Q170 E171P168-Q170 PolarHBondContact O-N 2.76Å; P168-Q170 VanDerWaalsContact O-N 3.16Å; P168-E171 HydrophobicContact CG-CB 4.38Å; P168-E171 HydrophobicContact CG-CG 3.9Å; P168-E171 PolarHBondContact O-N 2.99Å; P168-E171 VanDerWaalsContact O-N 3.09Å
169P87.8Confident76.7Confident35 Ų3583.2 Ų83.223%0.22744%0.442CS..G310 helixtrans-61.1-29.1-174.6-23.435000113.5V132 I133 Y135 E171 L172V132-P169 HydrophobicContact CG1-CB 4.27Å; V132-P169 HydrophobicContact CG1-CG 3.99Å; I133-P169 WeakPolarHBondContact O-CD 3.42Å; I133-P169 WeakPolarHBondContact O-CG 3.35Å; Y135-P169 HydrophobicContact CD2-CB 4.48Å; P169-E171 PolarHBondContact O-N 3.21Å; P169-L172 WeakPolarHBondContact O-CB 3.34Å; P169-L172 PolarHBondContact O-N 3.02Å
170Q86.1Confident75.9Confident140 Ų14087.1 Ų87.165%0.65446%0.462SS*.G310 helixtrans-65.7-24.8179.6-58.781.71.200112.6P168 L172 V174P168-Q170 PolarHBondContact O-N 2.76Å; P168-Q170 VanDerWaalsContact O-N 3.16Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-V174 WeakPolarHBondContact O-CG2 3.36Å
171E84.7Confident75Confident66 Ų6689.6 Ų89.631%0.30848%0.476SS..G310 helixtrans-81.9-11.2178.2-73.6-174.1-151.100113.1K164 V167 P168 P169 Y173K164-E171 IonicContact NZ-OE1 3.73Å; K164-E171 IonicContact NZ-OE2 3.16Å; K164-E171 PolarHBondContact NZ-OE2 2.86Å; V167-E171 HydrophobicContact CB-CB 4.32Å; P168-E171 HydrophobicContact CG-CB 4.38Å; P168-E171 HydrophobicContact CG-CG 3.9Å; P168-E171 PolarHBondContact O-N 2.99Å; P168-E171 VanDerWaalsContact O-N 3.09Å; P169-E171 PolarHBondContact O-N 3.21Å; E171-Y173 VanDerWaalsContact C-N 3.29Å; E171-Y173 PolarHBondContact O-N 3.1Å
172L81.8Confident74.2Confident20 Ų2084.3 Ų84.311%0.10546%0.464CS..THydrogen-bonded Turntrans-64.1-32.2-177.6-70.3177.7000113.5F109 V132 Y135 V167 P169 Q170F109-L172 HydrophobicContact CE1-CD1 3.96Å; F109-L172 HydrophobicContact CE1-CD2 4.28Å; F109-L172 HydrophobicContact CZ-CD1 3.73Å; F109-L172 HydrophobicContact CZ-CD2 4.33Å; V132-L172 HydrophobicContact CG1-CD1 3.94Å; V132-L172 HydrophobicContact CG1-CG 4.29Å; V132-L172 HydrophobicContact CG2-CD1 4.29Å; V132-L172 HydrophobicContact CG2-CD2 3.9Å; Y135-L172 HydrophobicContact CD2-CD1 4.02Å; Y135-L172 HydrophobicContact CE2-CD1 3.79Å; V167-L172 HydrophobicContact CG2-CD2 4.13Å; P169-L172 WeakPolarHBondContact O-CB 3.34Å; P169-L172 PolarHBondContact O-N 3.02Å; Q170-L172 VanDerWaalsContact C-N 3.34Å
173Y69.1Low73.9Confident145 Ų14586 Ų8657%0.56947%0.47SS*.THydrogen-bonded Turntrans-108.73.8-173.4-56.4-71000113.6E171E171-Y173 VanDerWaalsContact C-N 3.29Å; E171-Y173 PolarHBondContact O-N 3.1Å
174V57.7Low73.5Confident105 Ų10584.4 Ų84.464%0.63646%0.456SS*.THydrogen-bonded Turntrans-96.2-12.9-175.8-1780000111.5Q170 D176Q170-V174 WeakPolarHBondContact O-CG2 3.36Å; V174-D176 PolarHBondContact O-N 3.08Å
175E47.3Very low72.9Confident87 Ų8783.6 Ų83.641%0.40746%0.46SS..SBendtrans-79.4-0.2176.7-64.7-174.7144.400113.6R130R130-E175 IonicContact CZ-OE2 2.64Å; R130-E175 IonicContact NH1-OE2 3.97Å; R130-E175 PolarHBondContact NH1-OE2 2.88Å; R130-E175 IonicContact NH2-OE2 3.62Å
176D40Very low71.6Confident96 Ų9684.7 Ų84.751%0.51345%0.449SS..  trans-98.330-179.2-70.5-41.5000114.4V174V174-D176 PolarHBondContact O-N 3.08Å
177V30Very low69.7Low202 Ų20285.5 Ų85.5100%1.22445%0.449SS*.  trans-122.80171.5-171.90000111.7

Retrieved 177 of 177 residues in 115.7 ms (Link to these results)

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