A0A077ZAJ0_TRITR Loading...

Alpha-1,3/1,6-mannosyltransferase ALG2

Mannosylates Man(2)GlcNAc(2)-dolichol diphosphate and Man(1)GlcNAc(2)-dolichol diphosphate to form Man(3)GlcNAc(2)-dolichol diphosphate.

AlphaFold DB , UniProt , Accession A0A077ZAJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 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
1M94.5Very high93Very high86 Ų8622.2 Ų22.242%0.42410%0.096SC..  0152.50-61.7-171-77.700110.4I3 H31 I32 D86M1-I3 HydrophobicContact CB-CD1 4.47Å; M1-I3 HydrophobicContact CB-CG1 4.1Å; M1-I3 HydrophobicContact CE-CD1 4.39Å; M1-H31 VanDerWaalsContact CE-CE1 3.46Å; M1-H31 WeakPolarHBondContact CE-CE1 3.31Å; M1-H31 PolarHBondContact N-ND1 2.89Å; M1-I32 PolarHBondContact O-N 3.38Å; M1-D86 WeakPolarHBondContact CA-OD2 3.27Å; M1-D86 HydrophobicContact CB-CB 3.95Å; M1-D86 WeakPolarHBondContact CB-OD2 3.38Å; M1-D86 HydrophobicContact CG-CB 4.15Å; M1-D86 HydrophobicContact SD-CB 4.2Å
2R97.9Very high91.2Very high104 Ų10425.3 Ų25.339%0.39211%0.114SC..EExtended strand (participates in β ladder)trans-91.9119.3164.9-69174.3-179.9-170.62.8109I32 I84 F85 D86R2-I32 CarbonylContact C-O 3.59Å; R2-I32 WeakPolarHBondContact CA-O 3.35Å; R2-I32 HydrophobicContact CG-CB 4.24Å; R2-I32 HydrophobicContact CG-CD1 4.25Å; R2-I84 WeakPolarHBondContact CD-O 3.23Å; R2-F85 HydrophobicContact CB-CD1 4.19Å; R2-F85 WeakPolarHBondContact O-CA 3.23Å; R2-D86 PolarHBondContact N-OD2 3.29Å; R2-D86 PolarHBondContact O-N 3.48Å
3I98.2Very high90.1Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-119.1127.4-171.9-56.8178.3000109.1M1 F5 L26 H31 I32 Y34 L87 M89M1-I3 HydrophobicContact CB-CD1 4.47Å; M1-I3 HydrophobicContact CB-CG1 4.1Å; M1-I3 HydrophobicContact CE-CD1 4.39Å; I3-F5 HydrophobicContact CG2-CD2 4.22Å; I3-F5 HydrophobicContact CG2-CE2 3.95Å; I3-L26 HydrophobicContact CD1-CB 4.37Å; I3-L26 HydrophobicContact CD1-CD1 3.71Å; I3-L26 HydrophobicContact CD1-CD2 3.65Å; I3-L26 HydrophobicContact CD1-CG 4.11Å; I3-L26 HydrophobicContact CG2-CD1 4.17Å; I3-H31 HydrophobicContact CD1-CB 3.85Å; I3-H31 HydrophobicContact CG1-CB 4.47Å; I3-I32 PolarHBondContact N-O 2.95Å; I3-Y34 PolarHBondContact O-N 3.05Å; I3-L87 WeakPolarHBondContact CA-O 3.27Å; I3-L87 HydrophobicContact CD1-CD2 4.47Å; I3-L87 HydrophobicContact CG1-CB 4.36Å; I3-L87 HydrophobicContact CG2-CD2 4.49Å; I3-M89 HydrophobicContact CG2-CG 3.41Å; I3-M89 VanDerWaalsContact CG2-CG 3.41Å; I3-M89 HydrophobicContact CG2-SD 4.3Å
4L98.2Very high89.3Confident0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-101117.6175.8172.962.7000110.4A36 A77 W81 F85 L87 I88 M89 F104L4-A36 HydrophobicContact CD1-CB 4.28Å; L4-A77 HydrophobicContact CD1-CB 4.27Å; L4-A77 HydrophobicContact CD2-CB 3.95Å; L4-W81 HydrophobicContact CD1-CE3 3.99Å; L4-W81 HydrophobicContact CD1-CZ3 3.57Å; L4-F85 HydrophobicContact CB-CB 4.37Å; L4-F85 HydrophobicContact CB-CD1 3.73Å; L4-F85 HydrophobicContact CB-CD2 3.86Å; L4-F85 HydrophobicContact CB-CE1 3.95Å; L4-F85 HydrophobicContact CB-CE2 4.06Å; L4-F85 HydrophobicContact CB-CG 3.69Å; L4-F85 HydrophobicContact CB-CZ 4.11Å; L4-F85 HydrophobicContact CD1-CE2 4.4Å; L4-F85 HydrophobicContact CD1-CZ 4.19Å; L4-F85 HydrophobicContact CD2-CD2 3.93Å; L4-F85 HydrophobicContact CD2-CE2 3.82Å; L4-F85 HydrophobicContact CD2-CZ 4.42Å; L4-F85 HydrophobicContact CG-CD2 4.45Å; L4-F85 HydrophobicContact CG-CE2 4.32Å; L4-F85 HydrophobicContact CG-CZ 4.47Å; L4-L87 PolarHBondContact N-O 3.42Å; L4-I88 CarbonylContact O-C 3.47Å; L4-I88 WeakPolarHBondContact O-CA 3.29Å; L4-M89 PolarHBondContact O-N 3.02Å; L4-F104 HydrophobicContact CD2-CE1 3.98Å; L4-F104 HydrophobicContact CD2-CE2 4.31Å; L4-F104 HydrophobicContact CD2-CZ 3.8Å
5F97.8Very high89.1Confident4 Ų424.3 Ų24.32%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-87131164-77.9-101.9000110.3I3 V19 M22 I23 L26 V33 Y34 L35 A36 M89I3-F5 HydrophobicContact CG2-CD2 4.22Å; I3-F5 HydrophobicContact CG2-CE2 3.95Å; F5-V19 HydrophobicContact CD1-CG1 3.89Å; F5-V19 HydrophobicContact CE1-CG1 4.26Å; F5-M22 HydrophobicContact CE1-CB 3.9Å; F5-M22 HydrophobicContact CE1-SD 4.47Å; F5-M22 HydrophobicContact CZ-CB 3.9Å; F5-I23 HydrophobicContact CD1-CD1 4.45Å; F5-I23 HydrophobicContact CD1-CG1 4.06Å; F5-I23 HydrophobicContact CD2-CG1 3.91Å; F5-I23 HydrophobicContact CE1-CG1 3.96Å; F5-I23 HydrophobicContact CE2-CG1 3.81Å; F5-I23 HydrophobicContact CG-CD1 4.38Å; F5-I23 HydrophobicContact CG-CG1 4.02Å; F5-I23 HydrophobicContact CZ-CG1 3.82Å; F5-L26 HydrophobicContact CE2-CD1 3.57Å; F5-L26 HydrophobicContact CZ-CD1 3.59Å; F5-V33 HydrophobicContact CD2-CG1 3.52Å; F5-V33 HydrophobicContact CE2-CG1 3.66Å; F5-Y34 PolarHBondContact N-O 3Å; F5-L35 HydrophobicContact CB-CD1 3.64Å; F5-A36 PolarHBondContact O-N 3.43Å; F5-M89 CarbonylContact C-O 3.51Å; F5-M89 WeakPolarHBondContact CA-O 3.16Å; F5-M89 HydrophobicContact CD1-CB 3.53Å; F5-M89 HydrophobicContact CD1-CG 4.2Å; F5-M89 HydrophobicContact CD2-CB 4.08Å; F5-M89 HydrophobicContact CD2-CG 4.05Å; F5-M89 HydrophobicContact CE1-CB 3.58Å; F5-M89 HydrophobicContact CE1-CE 4.48Å; F5-M89 HydrophobicContact CE1-CG 3.9Å; F5-M89 HydrophobicContact CE2-CB 4.14Å; F5-M89 HydrophobicContact CE2-CG 3.74Å; F5-M89 HydrophobicContact CG-CB 3.8Å; F5-M89 HydrophobicContact CG-CG 4.29Å; F5-M89 HydrophobicContact CZ-CB 3.9Å; F5-M89 HydrophobicContact CZ-CE 4.16Å; F5-M89 HydrophobicContact CZ-CG 3.66Å
6C95.8Very high89.2Confident0 Ų023.6 Ų23.60%013%0.129CC..EExtended strand (participates in β ladder)trans-114.7119.9165.9-64.50000107.8A36 M70 V73 M89 L90C6-A36 WeakPolarHBondContact CA-O 3Å; C6-M70 HydrophobicContact CB-CE 3.75Å; C6-M70 WeakPolarHBondContact O-CE 3.43Å; C6-V73 HydrophobicContact CB-CG1 4.24Å; C6-M89 PolarHBondContact N-O 2.97Å; C6-L90 HydrophobicContact CB-CD1 3.98Å
7H93.4Very high89.4Confident2 Ų222.5 Ų22.51%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-139.7135.2-177-177.574.7000110.7E9 F10 L35 A36 T37 D91H7-E9 PolarHBondContact CD2-O 3.37Å; H7-E9 PolarHBondContact NE2-O 3.22Å; H7-F10 HydrophobicContact CB-CE2 3.89Å; H7-F10 HydrophobicContact CB-CZ 4.32Å; H7-F10 AromaticContact CD2-CD2 3.42Å; H7-F10 VanDerWaalsContact CD2-CD2 3.42Å; H7-F10 WeakPolarHBondContact CD2-CD2 3.45Å; H7-F10 AromaticContact CD2-CE2 3.28Å; H7-F10 WeakPolarHBondContact CD2-CE2 3.45Å; H7-F10 AromaticContact CD2-CG 3.94Å; H7-F10 AromaticContact CD2-CZ 3.72Å; H7-F10 AromaticContact CG-CE2 3.75Å; H7-L35 HydrophobicContact CB-CD1 4.36Å; H7-A36 PolarHBondContact N-O 3.25Å; H7-A36 VanDerWaalsContact N-O 3.1Å; H7-T37 WeakPolarHBondContact O-CA 3.46Å; H7-T37 WeakPolarHBondContact O-CB 3.49Å; H7-T37 PolarHBondContact O-OG1 3.18Å; H7-D91 IonicContact CE1-OD1 2.78Å; H7-D91 IonicContact CE1-OD2 3.61Å; H7-D91 PolarHBondContact CE1-OD2 3.35Å; H7-D91 VanDerWaalsContact CE1-OD2 3.22Å; H7-D91 IonicContact CG-OD1 3.97Å; H7-D91 IonicContact ND1-OD1 2.62Å; H7-D91 PolarHBondContact ND1-OD1 3.11Å; H7-D91 IonicContact ND1-OD2 3.48Å; H7-D91 PolarHBondContact ND1-OD2 3.09Å
8P89.1Confident89.7Confident7 Ų721.3 Ų21.35%0.04512%0.117CC..EExtended strand (participates in β ladder)trans-67.9-51.5-169.324.2-33.2000113.3G38 H39 Y66 M70 A92P8-G38 WeakPolarHBondContact O-CA 3.21Å; P8-G38 PolarHBondContact O-N 3.39Å; P8-H39 PolarHBondContact O-N 3.13Å; P8-Y66 HydrophobicContact CB-CD1 3.69Å; P8-Y66 HydrophobicContact CB-CE1 4.27Å; P8-Y66 HydrophobicContact CB-CG 4.13Å; P8-Y66 HydrophobicContact CG-CD1 3.9Å; P8-Y66 HydrophobicContact CG-CD2 4.49Å; P8-Y66 HydrophobicContact CG-CE1 4.26Å; P8-Y66 HydrophobicContact CG-CG 4.04Å; P8-M70 VanDerWaalsContact CA-SD 3.56Å; P8-M70 HydrophobicContact CB-CG 4.15Å; P8-M70 HydrophobicContact CB-SD 3.77Å; P8-M70 WeakPolarHBondContact CD-SD 3.34Å; P8-M70 HydrophobicContact CG-SD 4.18Å; P8-A92 HydrophobicContact CG-CB 3.73Å
9E88.3Confident90Very high15 Ų1520.3 Ų20.37%0.0711%0.112CC..EExtended strand (participates in β ladder)trans-157.1134.8178.259.3-176.6139.200113.5H7 H39 G64 Y66 R285H7-E9 PolarHBondContact CD2-O 3.37Å; H7-E9 PolarHBondContact NE2-O 3.22Å; E9-H39 CarbonylContact C-O 3.38Å; E9-H39 WeakPolarHBondContact CA-O 3.29Å; E9-H39 HydrophobicContact CB-CB 3.81Å; E9-H39 IonicContact OE2-CD2 3.73Å; E9-G64 PolarHBondContact OE1-N 3.13Å; E9-Y66 HydrophobicContact CG-CE1 4.01Å; E9-Y66 WeakPolarHBondContact OE1-CE1 3.45Å; E9-R285 IonicContact OE2-CZ 2.77Å; E9-R285 IonicContact OE2-NH1 3.99Å; E9-R285 PolarHBondContact OE2-NH1 2.84Å; E9-R285 IonicContact OE2-NH2 3.07Å; E9-R285 PolarHBondContact OE2-NH2 3.37Å
10F88.9Confident90.2Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-91.2111.6170.9-78-90.1000110.7H7 E16 V19 L35 T37 H39 C40 D41 W44 L48H7-F10 HydrophobicContact CB-CE2 3.89Å; H7-F10 HydrophobicContact CB-CZ 4.32Å; H7-F10 AromaticContact CD2-CD2 3.42Å; H7-F10 VanDerWaalsContact CD2-CD2 3.42Å; H7-F10 WeakPolarHBondContact CD2-CD2 3.45Å; H7-F10 AromaticContact CD2-CE2 3.28Å; H7-F10 WeakPolarHBondContact CD2-CE2 3.45Å; H7-F10 AromaticContact CD2-CG 3.94Å; H7-F10 AromaticContact CD2-CZ 3.72Å; H7-F10 AromaticContact CG-CE2 3.75Å; F10-E16 HydrophobicContact CD1-CB 3.91Å; F10-E16 HydrophobicContact CD1-CG 4.24Å; F10-E16 HydrophobicContact CE1-CB 4.35Å; F10-V19 HydrophobicContact CE1-CB 4.45Å; F10-V19 HydrophobicContact CE1-CG1 4.3Å; F10-V19 HydrophobicContact CZ-CB 4.39Å; F10-V19 HydrophobicContact CZ-CG1 3.8Å; F10-L35 HydrophobicContact CD2-CD2 4.49Å; F10-L35 HydrophobicContact CE2-CD1 3.97Å; F10-L35 HydrophobicContact CE2-CD2 3.68Å; F10-L35 HydrophobicContact CE2-CG 4.39Å; F10-L35 HydrophobicContact CZ-CD1 4.39Å; F10-L35 HydrophobicContact CZ-CD2 4.08Å; F10-T37 HydrophobicContact CD2-CG2 4.05Å; F10-T37 WeakPolarHBondContact CD2-OG1 3.31Å; F10-T37 HydrophobicContact CE2-CG2 4.41Å; F10-H39 PolarHBondContact N-O 2.97Å; F10-C40 HydrophobicContact CB-CB 4.21Å; F10-C40 WeakPolarHBondContact O-CA 3.4Å; F10-D41 PolarHBondContact O-N 3.43Å; F10-W44 HydrophobicContact CB-CB 3.66Å; F10-W44 HydrophobicContact CB-CD2 4.43Å; F10-W44 HydrophobicContact CB-CG 3.68Å; F10-W44 HydrophobicContact CD1-CB 4.3Å; F10-W44 AromaticContact CD1-CD2 3.85Å; F10-W44 HydrophobicContact CD1-CD2 3.85Å; F10-W44 HydrophobicContact CD1-CE3 4.06Å; F10-W44 AromaticContact CD1-CG 3.97Å; F10-W44 HydrophobicContact CD1-CG 3.97Å; F10-W44 HydrophobicContact CG-CB 4.25Å; F10-W44 HydrophobicContact CG-CG 4.25Å; F10-L48 HydrophobicContact CB-CD1 4.38Å; F10-L48 HydrophobicContact CD1-CD1 3.81Å; F10-L48 HydrophobicContact CD2-CD1 3.69Å; F10-L48 HydrophobicContact CE1-CD1 3.94Å; F10-L48 HydrophobicContact CE1-CD2 4.13Å; F10-L48 HydrophobicContact CE2-CD1 3.83Å; F10-L48 HydrophobicContact CG-CD1 3.69Å; F10-L48 HydrophobicContact CZ-CD1 3.95Å; F10-L48 HydrophobicContact CZ-CD2 4.09Å
11W80.5Confident90.5Very high26 Ų2618.8 Ų18.810%0.09810%0.103CC..  trans-138.2169.2170.669.4-52.7000109.5G13 E16 D41 W44 R206 E283W11-G13 PolarHBondContact O-N 2.98Å; W11-E16 PolarHBondContact NE1-OE1 3.47Å; W11-E16 VanDerWaalsContact O-CG 3.28Å; W11-E16 WeakPolarHBondContact O-CG 3.42Å; W11-D41 WeakPolarHBondContact CA-OD2 3.02Å; W11-W44 PolarHBondContact O-NE1 3.11Å; W11-R206 VanDerWaalsContact CE2-NH1 3.34Å; W11-R206 VanDerWaalsContact CH2-CD 3.45Å; W11-R206 VanDerWaalsContact CH2-CZ 3.47Å; W11-E283 HydrophobicContact CE3-CB 4.47Å; W11-E283 HydrophobicContact CZ3-CB 4.12Å
12L71.8Confident90.6Very high60 Ų6014.9 Ų14.931%0.3148%0.084SC..SBendtrans-63.997.7-179.6-71.6169.7000111.7D41 F43L12-D41 PolarHBondContact N-OD2 3.27Å; L12-F43 HydrophobicContact CD2-CD1 3.74Å; L12-F43 HydrophobicContact CD2-CE1 3.76Å; L12-F43 HydrophobicContact CD2-CG 4.3Å; L12-F43 HydrophobicContact CD2-CZ 4.3Å
13G76.8Confident90.6Very high21 Ų2110 Ų1022%0.2167%0.065CC..SBendtrans-159.7171.317900000113W11 E16W11-G13 PolarHBondContact O-N 2.98Å; G13-E16 WeakPolarHBondContact CA-OE2 3.41Å; G13-E16 PolarHBondContact N-OE2 3.35Å
14G79.5Confident90.5Very high25 Ų2510.2 Ų10.226%0.2587%0.067SC..Hα-helixtrans-78.5-22.7-178.200000114.2V18G14-V18 WeakPolarHBondContact O-CG2 3.46Å
15G86Confident90.4Very high15 Ų1510.3 Ų10.316%0.1557%0.067CC..Hα-helixtrans-73.2-41.4-179.600000111.4A17 V18 V19 H113G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 3.02Å; G15-V18 PolarHBondContact O-N 3Å; G15-V19 PolarHBondContact O-N 3.34Å; G15-H113 WeakPolarHBondContact CA-CE1 3.42Å; G15-H113 PolarHBondContact O-CE1 2.9Å
16E90.6Very high90.4Very high12 Ų1210.1 Ų10.16%0.0567%0.066CC..Hα-helixtrans-64.6-39179.3-60.274.9-161.100111F10 W11 G13 V18 V19 F20 W44F10-E16 HydrophobicContact CD1-CB 3.91Å; F10-E16 HydrophobicContact CD1-CG 4.24Å; F10-E16 HydrophobicContact CE1-CB 4.35Å; W11-E16 PolarHBondContact NE1-OE1 3.47Å; W11-E16 VanDerWaalsContact O-CG 3.28Å; W11-E16 WeakPolarHBondContact O-CG 3.42Å; G13-E16 WeakPolarHBondContact CA-OE2 3.41Å; G13-E16 PolarHBondContact N-OE2 3.35Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 3.34Å; E16-V19 PolarHBondContact O-N 3.32Å; E16-F20 WeakPolarHBondContact O-CB 3.27Å; E16-F20 PolarHBondContact O-N 3.06Å; E16-W44 HydrophobicContact CB-CH2 4.37Å; E16-W44 HydrophobicContact CB-CZ2 3.68Å
17A92.1Very high90.4Very high5 Ų514 Ų144%0.0418%0.081CC..Hα-helixtrans-58.4-42.7173.500000112.7G15 F20 D21 W44 P179G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 3.02Å; A17-F20 PolarHBondContact O-N 2.65Å; A17-D21 VanDerWaalsContact O-CG 3.3Å; A17-D21 PolarHBondContact O-N 2.81Å; A17-W44 HydrophobicContact CB-CH2 4.48Å; A17-P179 HydrophobicContact CB-CB 3.93Å; A17-P179 HydrophobicContact CB-CG 3.89Å
18V94.5Very high90.5Very high2 Ų219.4 Ų19.41%0.01211%0.106CC..Hα-helixtrans-66.6-43.1178.4177.40000111.3G14 G15 E16 F20 D21 M22 Y111 P176 F416G14-V18 WeakPolarHBondContact O-CG2 3.46Å; G15-V18 PolarHBondContact O-N 3Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 3.34Å; V18-F20 VanDerWaalsContact C-N 3.3Å; V18-F20 PolarHBondContact O-N 2.79Å; V18-D21 PolarHBondContact O-N 3.21Å; V18-M22 HydrophobicContact CG1-CE 4.05Å; V18-M22 WeakPolarHBondContact O-CG 3.06Å; V18-M22 PolarHBondContact O-N 3.33Å; V18-Y111 HydrophobicContact CB-CE1 4.37Å; V18-Y111 HydrophobicContact CG1-CD1 4.23Å; V18-Y111 HydrophobicContact CG1-CE1 3.67Å; V18-Y111 HydrophobicContact CG1-CE2 4.22Å; V18-P176 HydrophobicContact CG2-CB 3.56Å; V18-P176 HydrophobicContact CG2-CG 3.73Å; V18-F416 HydrophobicContact CG1-CE2 4.22Å; V18-F416 HydrophobicContact CG1-CZ 4.25Å
19V95.5Very high90.8Very high2 Ų222.1 Ų22.11%0.01213%0.125CC..Hα-helixtrans-61.8-42.4176.9177.30000110.6F5 F10 G15 E16 M22 I23 D91F5-V19 HydrophobicContact CD1-CG1 3.89Å; F5-V19 HydrophobicContact CE1-CG1 4.26Å; F10-V19 HydrophobicContact CE1-CB 4.45Å; F10-V19 HydrophobicContact CE1-CG1 4.3Å; F10-V19 HydrophobicContact CZ-CB 4.39Å; F10-V19 HydrophobicContact CZ-CG1 3.8Å; G15-V19 PolarHBondContact O-N 3.34Å; E16-V19 PolarHBondContact O-N 3.32Å; V19-M22 WeakPolarHBondContact O-CB 3.42Å; V19-M22 PolarHBondContact O-N 3.39Å; V19-I23 HydrophobicContact CG1-CD1 4.08Å; V19-I23 WeakPolarHBondContact O-CG1 3.45Å; V19-I23 PolarHBondContact O-N 3Å; V19-D91 HydrophobicContact CG2-CB 4.28Å; V19-D91 WeakPolarHBondContact CG2-OD2 3.41Å
20F95.5Very high91.1Very high7 Ų724.4 Ų24.43%0.03115%0.153CC..Hα-helixtrans-61.8-43.3175-175.1-111.4000112.3E16 A17 V18 M22 I23 L24 W44 K47 L48 N51 V181E16-F20 WeakPolarHBondContact O-CB 3.27Å; E16-F20 PolarHBondContact O-N 3.06Å; A17-F20 PolarHBondContact O-N 2.65Å; V18-F20 VanDerWaalsContact C-N 3.3Å; V18-F20 PolarHBondContact O-N 2.79Å; F20-M22 VanDerWaalsContact C-N 3.31Å; F20-M22 PolarHBondContact O-N 3.15Å; F20-I23 WeakPolarHBondContact O-CB 3.37Å; F20-I23 PolarHBondContact O-N 3.3Å; F20-L24 HydrophobicContact CD1-CD1 3.9Å; F20-L24 HydrophobicContact CD1-CG 4.28Å; F20-L24 HydrophobicContact CE1-CD1 3.45Å; F20-L24 VanDerWaalsContact CE1-CD1 3.45Å; F20-L24 HydrophobicContact CE1-CD2 4.37Å; F20-L24 HydrophobicContact CE1-CG 3.95Å; F20-L24 HydrophobicContact CE2-CD2 4.36Å; F20-L24 HydrophobicContact CE2-CG 4.38Å; F20-L24 HydrophobicContact CZ-CD1 3.91Å; F20-L24 HydrophobicContact CZ-CD2 3.97Å; F20-L24 HydrophobicContact CZ-CG 4Å; F20-L24 WeakPolarHBondContact O-CG 3.39Å; F20-L24 PolarHBondContact O-N 3.36Å; F20-W44 HydrophobicContact CB-CH2 4.13Å; F20-W44 HydrophobicContact CB-CZ3 3.61Å; F20-W44 HydrophobicContact CD1-CZ3 4.06Å; F20-W44 HydrophobicContact CD2-CE3 4.5Å; F20-W44 HydrophobicContact CD2-CZ3 4.07Å; F20-W44 HydrophobicContact CG-CE3 4.49Å; F20-W44 HydrophobicContact CG-CH2 4.49Å; F20-W44 AromaticContact CG-CZ3 3.65Å; F20-W44 HydrophobicContact CG-CZ3 3.65Å; F20-K47 HydrophobicContact CE2-CB 3.93Å; F20-K47 HydrophobicContact CZ-CB 3.96Å; F20-K47 HydrophobicContact CZ-CD 4.39Å; F20-L48 HydrophobicContact CD2-CD2 3.84Å; F20-L48 HydrophobicContact CE2-CD2 4.34Å; F20-N51 HydrophobicContact CE2-CB 4.27Å; F20-V181 HydrophobicContact CD1-CG1 3.89Å; F20-V181 HydrophobicContact CE1-CG1 3.75Å
21D95.8Very high91.5Very high2 Ų225.8 Ų25.81%0.01116%0.159CC..Hα-helixtrans-64.4-34.3176.8-71.5-16.9000112.3A17 V18 T25 N180 F416A17-D21 VanDerWaalsContact O-CG 3.3Å; A17-D21 PolarHBondContact O-N 2.81Å; V18-D21 PolarHBondContact O-N 3.21Å; D21-T25 VanDerWaalsContact O-CB 3.3Å; D21-T25 WeakPolarHBondContact O-CB 3.32Å; D21-T25 PolarHBondContact O-N 3.1Å; D21-T25 PolarHBondContact O-OG1 3.09Å; D21-N180 WeakPolarHBondContact OD1-CB 2.98Å; D21-N180 PolarHBondContact OD1-N 3.37Å; D21-N180 VanDerWaalsContact OD1-N 3.13Å; D21-N180 PolarHBondContact OD2-N 3.46Å; D21-F416 HydrophobicContact CB-CE1 4.13Å
22M97.1Very high92.4Very high4 Ų427.6 Ų27.62%0.0217%0.17CC..Hα-helixtrans-65.1-45.9170.9-69.5-176.1173.800112.2F5 V18 V19 F20 T25 L26 F109 Y111 L174 F416 F420F5-M22 HydrophobicContact CE1-CB 3.9Å; F5-M22 HydrophobicContact CE1-SD 4.47Å; F5-M22 HydrophobicContact CZ-CB 3.9Å; V18-M22 HydrophobicContact CG1-CE 4.05Å; V18-M22 WeakPolarHBondContact O-CG 3.06Å; V18-M22 PolarHBondContact O-N 3.33Å; V19-M22 WeakPolarHBondContact O-CB 3.42Å; V19-M22 PolarHBondContact O-N 3.39Å; F20-M22 VanDerWaalsContact C-N 3.31Å; F20-M22 PolarHBondContact O-N 3.15Å; M22-T25 PolarHBondContact O-N 3.49Å; M22-L26 WeakPolarHBondContact O-CG 3.27Å; M22-L26 PolarHBondContact O-N 2.84Å; M22-F109 HydrophobicContact CE-CE1 4.19Å; M22-Y111 HydrophobicContact CE-CD2 3.23Å; M22-Y111 HydrophobicContact CE-CE2 3.68Å; M22-Y111 HydrophobicContact CE-CG 3.7Å; M22-L174 HydrophobicContact CE-CD2 3.6Å; M22-F416 HydrophobicContact CE-CE2 4.42Å; M22-F416 HydrophobicContact CE-CZ 4.05Å; M22-F416 HydrophobicContact CG-CE1 4.17Å; M22-F416 HydrophobicContact CG-CZ 3.63Å; M22-F420 HydrophobicContact CB-CE1 4.02Å; M22-F420 HydrophobicContact CB-CZ 3.87Å; M22-F420 HydrophobicContact CE-CD2 4.3Å; M22-F420 HydrophobicContact CE-CE2 4.03Å; M22-F420 HydrophobicContact CG-CE1 4.06Å; M22-F420 HydrophobicContact CG-CE2 4.11Å; M22-F420 HydrophobicContact CG-CZ 3.76Å; M22-F420 HydrophobicContact SD-CE2 3.96Å; M22-F420 HydrophobicContact SD-CZ 4.02Å
23I97.4Very high93.6Very high0 Ų024.8 Ų24.80%016%0.155CC..Hα-helixtrans-57.7-51177.1-72.4167.2000109.8F5 V19 F20 T25 L26 R27 V33 L35 L48 V52F5-I23 HydrophobicContact CD1-CD1 4.45Å; F5-I23 HydrophobicContact CD1-CG1 4.06Å; F5-I23 HydrophobicContact CD2-CG1 3.91Å; F5-I23 HydrophobicContact CE1-CG1 3.96Å; F5-I23 HydrophobicContact CE2-CG1 3.81Å; F5-I23 HydrophobicContact CG-CD1 4.38Å; F5-I23 HydrophobicContact CG-CG1 4.02Å; F5-I23 HydrophobicContact CZ-CG1 3.82Å; V19-I23 HydrophobicContact CG1-CD1 4.08Å; V19-I23 WeakPolarHBondContact O-CG1 3.45Å; V19-I23 PolarHBondContact O-N 3Å; F20-I23 WeakPolarHBondContact O-CB 3.37Å; F20-I23 PolarHBondContact O-N 3.3Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 3.24Å; I23-L26 PolarHBondContact O-N 2.97Å; I23-R27 HydrophobicContact CG2-CG 4.35Å; I23-R27 WeakPolarHBondContact O-CB 3.42Å; I23-R27 WeakPolarHBondContact O-CG 2.71Å; I23-R27 PolarHBondContact O-N 3.15Å; I23-V33 HydrophobicContact CG1-CG1 4.24Å; I23-V33 HydrophobicContact CG2-CG1 4.18Å; I23-L35 HydrophobicContact CD1-CD2 4.46Å; I23-L48 HydrophobicContact CD1-CD2 3.91Å; I23-V52 HydrophobicContact CD1-CG1 4.34Å; I23-V52 HydrophobicContact CG2-CG1 3.78Å
24L95.8Very high94.7Very high6 Ų624.8 Ų24.83%0.03115%0.149CC..Hα-helixtrans-57.8-46.6177.9-71.6-176.7000111.6F20 L26 R27 E28 N51 N180F20-L24 HydrophobicContact CD1-CD1 3.9Å; F20-L24 HydrophobicContact CD1-CG 4.28Å; F20-L24 HydrophobicContact CE1-CD1 3.45Å; F20-L24 VanDerWaalsContact CE1-CD1 3.45Å; F20-L24 HydrophobicContact CE1-CD2 4.37Å; F20-L24 HydrophobicContact CE1-CG 3.95Å; F20-L24 HydrophobicContact CE2-CD2 4.36Å; F20-L24 HydrophobicContact CE2-CG 4.38Å; F20-L24 HydrophobicContact CZ-CD1 3.91Å; F20-L24 HydrophobicContact CZ-CD2 3.97Å; F20-L24 HydrophobicContact CZ-CG 4Å; F20-L24 WeakPolarHBondContact O-CG 3.39Å; F20-L24 PolarHBondContact O-N 3.36Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.87Å; L24-R27 PolarHBondContact O-N 2.86Å; L24-E28 WeakPolarHBondContact O-CB 3.48Å; L24-E28 VanDerWaalsContact O-CG 3.28Å; L24-E28 WeakPolarHBondContact O-CG 3.24Å; L24-E28 PolarHBondContact O-N 2.84Å; L24-N51 HydrophobicContact CD2-CB 3.89Å; L24-N51 VanDerWaalsContact CD2-CG 3.41Å; L24-N51 WeakPolarHBondContact CD2-OD1 3.23Å; L24-N180 HydrophobicContact CD1-CB 3.94Å
25T96.4Very high95.5Very high2 Ų223.6 Ų23.61%0.01214%0.137CC..Hα-helixtrans-58.2-45.1-179.9-630000111.9D21 M22 I23 S29 K417 F420 F421D21-T25 VanDerWaalsContact O-CB 3.3Å; D21-T25 WeakPolarHBondContact O-CB 3.32Å; D21-T25 PolarHBondContact O-N 3.1Å; D21-T25 PolarHBondContact O-OG1 3.09Å; M22-T25 PolarHBondContact O-N 3.49Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 3.24Å; T25-S29 PolarHBondContact O-N 3.45Å; T25-S29 PolarHBondContact O-OG 3.48Å; T25-K417 HydrophobicContact CG2-CB 4.22Å; T25-K417 HydrophobicContact CG2-CD 4.33Å; T25-K417 HydrophobicContact CG2-CG 3.67Å; T25-K417 WeakPolarHBondContact OG1-CG 3.17Å; T25-F420 HydrophobicContact CG2-CD1 3.86Å; T25-F420 HydrophobicContact CG2-CE1 4.25Å; T25-F421 HydrophobicContact CG2-CD2 4.28Å; T25-F421 HydrophobicContact CG2-CE2 3.38Å; T25-F421 HydrophobicContact CG2-CZ 3.6Å
26L97.1Very high96Very high0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-69.9-38.2179.1-70.9168.5000112.5I3 F5 M22 I23 L24 S29 G30 H31 V33 M89 F420 F421 L424I3-L26 HydrophobicContact CD1-CB 4.37Å; I3-L26 HydrophobicContact CD1-CD1 3.71Å; I3-L26 HydrophobicContact CD1-CD2 3.65Å; I3-L26 HydrophobicContact CD1-CG 4.11Å; I3-L26 HydrophobicContact CG2-CD1 4.17Å; F5-L26 HydrophobicContact CE2-CD1 3.57Å; F5-L26 HydrophobicContact CZ-CD1 3.59Å; M22-L26 WeakPolarHBondContact O-CG 3.27Å; M22-L26 PolarHBondContact O-N 2.84Å; I23-L26 PolarHBondContact O-N 2.97Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.87Å; L26-S29 PolarHBondContact O-N 3.5Å; L26-G30 PolarHBondContact O-N 3.31Å; L26-H31 HydrophobicContact CB-CB 4.25Å; L26-H31 VanDerWaalsContact O-CB 3.3Å; L26-H31 WeakPolarHBondContact O-CB 3.37Å; L26-H31 PolarHBondContact O-CD2 3.2Å; L26-H31 PolarHBondContact O-N 3.14Å; L26-V33 HydrophobicContact CB-CG2 3.92Å; L26-M89 HydrophobicContact CD1-CE 4.23Å; L26-F420 HydrophobicContact CD1-CE1 4.34Å; L26-F420 HydrophobicContact CD1-CZ 4.27Å; L26-F420 HydrophobicContact CD2-CE1 4.27Å; L26-F420 HydrophobicContact CG-CE1 4Å; L26-F420 HydrophobicContact CG-CZ 4.4Å; L26-F421 HydrophobicContact CD2-CE1 4.29Å; L26-L424 HydrophobicContact CD2-CD1 3.73Å
27R96.1Very high96.2Very high82 Ų8222.4 Ų22.431%0.30913%0.127SC..Hα-helixtrans-65-44.9177.5-71.7-75.4-63.3127.7-12.1112I23 L24 S29 G30 H31 V33 N51 D53I23-R27 HydrophobicContact CG2-CG 4.35Å; I23-R27 WeakPolarHBondContact O-CB 3.42Å; I23-R27 WeakPolarHBondContact O-CG 2.71Å; I23-R27 PolarHBondContact O-N 3.15Å; L24-R27 PolarHBondContact O-N 2.86Å; R27-S29 PolarHBondContact O-N 3Å; R27-G30 PolarHBondContact O-N 3.39Å; R27-H31 PolarHBondContact NH1-O 2.89Å; R27-V33 HydrophobicContact CG-CB 4.05Å; R27-V33 HydrophobicContact CG-CG2 3.69Å; R27-N51 WeakPolarHBondContact CD-O 3.43Å; R27-N51 WeakPolarHBondContact CG-O 3.45Å; R27-N51 PolarHBondContact NE-O 3.08Å; R27-D53 WeakPolarHBondContact CD-OD2 3.38Å; R27-D53 IonicContact CZ-OD1 2.76Å; R27-D53 IonicContact CZ-OD2 3.03Å; R27-D53 IonicContact NE-OD2 3.46Å; R27-D53 IonicContact NH1-OD1 3.74Å; R27-D53 IonicContact NH1-OD2 2.82Å; R27-D53 IonicContact NH2-OD1 3.49Å; R27-D53 PolarHBondContact NH2-OD1 3Å
28E94.7Very high96Very high114 Ų11422.1 Ų22.153%0.53313%0.125SC..Hα-helixtrans-61.8-29.5176.4-72.6172.9-175.400112.2L24 G30 K417L24-E28 WeakPolarHBondContact O-CB 3.48Å; L24-E28 VanDerWaalsContact O-CG 3.28Å; L24-E28 WeakPolarHBondContact O-CG 3.24Å; L24-E28 PolarHBondContact O-N 2.84Å; E28-G30 VanDerWaalsContact C-N 3.26Å; E28-G30 PolarHBondContact O-N 3.01Å; E28-K417 IonicContact OE1-NZ 3.15Å; E28-K417 IonicContact OE2-NZ 3.17Å; E28-K417 PolarHBondContact OE2-NZ 3.34Å
29S95.5Very high95.7Very high64 Ų6424.5 Ų24.545%0.44814%0.136SC..THydrogen-bonded Turntrans-84.19.6173.1-66.50000114.4T25 L26 R27 F421T25-S29 PolarHBondContact O-N 3.45Å; T25-S29 PolarHBondContact O-OG 3.48Å; L26-S29 PolarHBondContact O-N 3.5Å; R27-S29 PolarHBondContact O-N 3Å; S29-F421 WeakPolarHBondContact OG-CZ 3.36Å
30G96.3Very high95.5Very high63 Ų6325 Ų2565%0.64914%0.14SC*.THydrogen-bonded Turntrans83.512.7173.300000115.2L26 R27 E28L26-G30 PolarHBondContact O-N 3.31Å; R27-G30 PolarHBondContact O-N 3.39Å; E28-G30 VanDerWaalsContact C-N 3.26Å; E28-G30 PolarHBondContact O-N 3.01Å
31H97.3Very high95Very high29 Ų2926.3 Ų26.313%0.13415%0.147CC..  trans-76.8153172.6-60.1-94.7000111.3M1 I3 L26 R27 V33M1-H31 VanDerWaalsContact CE-CE1 3.46Å; M1-H31 WeakPolarHBondContact CE-CE1 3.31Å; M1-H31 PolarHBondContact N-ND1 2.89Å; I3-H31 HydrophobicContact CD1-CB 3.85Å; I3-H31 HydrophobicContact CG1-CB 4.47Å; L26-H31 HydrophobicContact CB-CB 4.25Å; L26-H31 VanDerWaalsContact O-CB 3.3Å; L26-H31 WeakPolarHBondContact O-CB 3.37Å; L26-H31 PolarHBondContact O-CD2 3.2Å; L26-H31 PolarHBondContact O-N 3.14Å; R27-H31 PolarHBondContact NH1-O 2.89Å; H31-V33 HydrophobicContact CB-CG2 4.46Å
32I98.1Very high94.6Very high65 Ų6532.2 Ų32.233%0.33317%0.174SC..EExtended strand (participates in β ladder)trans-94.5116.6172.4-50.4176.6000106.8M1 R2 I3 Y34 D53M1-I32 PolarHBondContact O-N 3.38Å; R2-I32 CarbonylContact C-O 3.59Å; R2-I32 WeakPolarHBondContact CA-O 3.35Å; R2-I32 HydrophobicContact CG-CB 4.24Å; R2-I32 HydrophobicContact CG-CD1 4.25Å; I3-I32 PolarHBondContact N-O 2.95Å; I32-Y34 HydrophobicContact CB-CE2 4.38Å; I32-Y34 HydrophobicContact CG2-CD2 4.16Å; I32-Y34 HydrophobicContact CG2-CE2 3.46Å; I32-Y34 VanDerWaalsContact CG2-CE2 3.46Å; I32-D53 VanDerWaalsContact CA-OD2 3.32Å; I32-D53 WeakPolarHBondContact CA-OD2 3.45Å; I32-D53 HydrophobicContact CG2-CB 3.72Å; I32-D53 WeakPolarHBondContact CG2-OD2 3.29Å
33V98.4Very high94Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-112.3125.8-171.5-176.90000110.6F5 I23 L26 R27 H31 V52 D53F5-V33 HydrophobicContact CD2-CG1 3.52Å; F5-V33 HydrophobicContact CE2-CG1 3.66Å; I23-V33 HydrophobicContact CG1-CG1 4.24Å; I23-V33 HydrophobicContact CG2-CG1 4.18Å; L26-V33 HydrophobicContact CB-CG2 3.92Å; R27-V33 HydrophobicContact CG-CB 4.05Å; R27-V33 HydrophobicContact CG-CG2 3.69Å; H31-V33 HydrophobicContact CB-CG2 4.46Å; V33-V52 HydrophobicContact CG1-CG1 4.48Å; V33-D53 PolarHBondContact N-OD2 3.45Å; V33-D53 PolarHBondContact O-N 3.37Å
34Y98.3Very high93.7Very high21 Ų2135.1 Ų35.18%0.08219%0.187CC..EExtended strand (participates in β ladder)trans-110.6143.4175.7-69.2-115.2000108.6I3 F5 I32 E54 W81 I84 F85I3-Y34 PolarHBondContact O-N 3.05Å; F5-Y34 PolarHBondContact N-O 3Å; I32-Y34 HydrophobicContact CB-CE2 4.38Å; I32-Y34 HydrophobicContact CG2-CD2 4.16Å; I32-Y34 HydrophobicContact CG2-CE2 3.46Å; I32-Y34 VanDerWaalsContact CG2-CE2 3.46Å; Y34-E54 WeakPolarHBondContact CA-O 3.48Å; Y34-E54 HydrophobicContact CD1-CB 3.67Å; Y34-E54 HydrophobicContact CD1-CG 4.21Å; Y34-E54 HydrophobicContact CE1-CB 3.84Å; Y34-E54 HydrophobicContact CE1-CG 3.83Å; Y34-E54 WeakPolarHBondContact CE1-OE1 3.46Å; Y34-E54 HydrophobicContact CG-CB 4.49Å; Y34-W81 AromaticContact CD1-CD2 3.85Å; Y34-W81 HydrophobicContact CD1-CD2 3.85Å; Y34-W81 AromaticContact CD1-CE2 3.49Å; Y34-W81 VanDerWaalsContact CD1-CE2 3.49Å; Y34-W81 HydrophobicContact CD1-CE3 4.31Å; Y34-W81 HydrophobicContact CD1-CG 4.28Å; Y34-W81 HydrophobicContact CD1-CH2 4.12Å; Y34-W81 AromaticContact CD1-CZ2 3.66Å; Y34-W81 HydrophobicContact CD1-CZ2 3.66Å; Y34-W81 HydrophobicContact CD1-CZ3 4.43Å; Y34-W81 AromaticContact CD1-NE1 3.72Å; Y34-W81 HydrophobicContact CE1-CD2 4.43Å; Y34-W81 HydrophobicContact CE1-CG 4.44Å; Y34-W81 HydrophobicContact CE1-CZ2 4.48Å; Y34-W81 AromaticContact CE1-NE1 3.74Å; Y34-I84 HydrophobicContact CE1-CD1 4.17Å; Y34-F85 AromaticContact CD1-CE1 3.83Å; Y34-F85 HydrophobicContact CD1-CE1 3.83Å; Y34-F85 HydrophobicContact CD1-CZ 4.05Å; Y34-F85 HydrophobicContact CD2-CD1 4.34Å; Y34-F85 AromaticContact CD2-CE1 3.61Å; Y34-F85 HydrophobicContact CD2-CE1 3.61Å; Y34-F85 HydrophobicContact CE1-CE1 4.38Å; Y34-F85 HydrophobicContact CE2-CE1 4.17Å; Y34-F85 HydrophobicContact CG-CD1 4.5Å; Y34-F85 AromaticContact CG-CE1 3.44Å; Y34-F85 HydrophobicContact CG-CE1 3.44Å; Y34-F85 VanDerWaalsContact CG-CE1 3.44Å; Y34-F85 HydrophobicContact CG-CZ 4.04Å
35L97.7Very high93.5Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-127.4123.5178.3173.763000111.1F5 H7 F10 I23 L48 V52 E54 M55 I56F5-L35 HydrophobicContact CB-CD1 3.64Å; H7-L35 HydrophobicContact CB-CD1 4.36Å; F10-L35 HydrophobicContact CD2-CD2 4.49Å; F10-L35 HydrophobicContact CE2-CD1 3.97Å; F10-L35 HydrophobicContact CE2-CD2 3.68Å; F10-L35 HydrophobicContact CE2-CG 4.39Å; F10-L35 HydrophobicContact CZ-CD1 4.39Å; F10-L35 HydrophobicContact CZ-CD2 4.08Å; I23-L35 HydrophobicContact CD1-CD2 4.46Å; L35-L48 HydrophobicContact CD2-CB 4.38Å; L35-L48 HydrophobicContact CD2-CD1 3.75Å; L35-L48 HydrophobicContact CD2-CD2 3.77Å; L35-L48 HydrophobicContact CD2-CG 4.18Å; L35-V52 HydrophobicContact CB-CB 4.5Å; L35-V52 HydrophobicContact CB-CG1 4.05Å; L35-V52 HydrophobicContact CB-CG2 4.45Å; L35-V52 HydrophobicContact CD2-CG1 4.5Å; L35-E54 PolarHBondContact N-O 3.21Å; L35-M55 HydrophobicContact CB-CG 4.31Å; L35-M55 HydrophobicContact CD2-CE 3.91Å; L35-M55 HydrophobicContact CD2-CG 4.21Å; L35-M55 HydrophobicContact CD2-SD 4.26Å; L35-M55 HydrophobicContact CG-CG 4.32Å; L35-M55 CarbonylContact O-C 3.53Å; L35-M55 VanDerWaalsContact O-CA 3.26Å; L35-M55 WeakPolarHBondContact O-CA 3.48Å; L35-I56 PolarHBondContact O-N 2.89Å
36A95.8Very high93.1Very high1 Ų140.1 Ų40.11%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-107.1123163.300000108.9L4 F5 C6 H7 V73 A77 W81L4-A36 HydrophobicContact CD1-CB 4.28Å; F5-A36 PolarHBondContact O-N 3.43Å; C6-A36 WeakPolarHBondContact CA-O 3Å; H7-A36 PolarHBondContact N-O 3.25Å; H7-A36 VanDerWaalsContact N-O 3.1Å; A36-V73 VanDerWaalsContact C-CG1 3.5Å; A36-V73 HydrophobicContact CB-CG1 3.53Å; A36-V73 WeakPolarHBondContact O-CG1 3.22Å; A36-A77 HydrophobicContact CB-CB 3.82Å; A36-W81 HydrophobicContact CB-CZ3 4.18Å
37T94Very high92.9Very high1 Ų142.3 Ų42.31%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-138.3154.5176.9-166.30000112.6H7 F10 C40 M55 I56 C57 S58H7-T37 WeakPolarHBondContact O-CA 3.46Å; H7-T37 WeakPolarHBondContact O-CB 3.49Å; H7-T37 PolarHBondContact O-OG1 3.18Å; F10-T37 HydrophobicContact CD2-CG2 4.05Å; F10-T37 WeakPolarHBondContact CD2-OG1 3.31Å; F10-T37 HydrophobicContact CE2-CG2 4.41Å; T37-C40 HydrophobicContact CG2-CB 4.24Å; T37-M55 HydrophobicContact CG2-CE 3.56Å; T37-I56 PolarHBondContact N-O 3.42Å; T37-C57 HydrophobicContact CG2-CB 4.35Å; T37-C57 WeakPolarHBondContact O-CA 3.45Å; T37-S58 PolarHBondContact O-N 2.96Å; T37-S58 VanDerWaalsContact O-N 3.09Å
38G89.7Confident92.8Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-73.4-95.4175.900000110.7P8 C57 S58P8-G38 WeakPolarHBondContact O-CA 3.21Å; P8-G38 PolarHBondContact O-N 3.39Å; G38-C57 PolarHBondContact O-SG 3.43Å; G38-C57 VanDerWaalsContact O-SG 3.41Å; G38-S58 CarbonylContact C-O 3.57Å; G38-S58 WeakPolarHBondContact CA-O 3.44Å; G38-S58 CarbonylContact O-C 3.57Å; G38-S58 PolarHBondContact O-N 2.97Å
39H88.2Confident92.7Very high52 Ų5239.1 Ų39.124%0.24121%0.21CC..EExtended strand (participates in β ladder)trans-88.5147.2176179.973.9000111.4P8 E9 F10 R285P8-H39 PolarHBondContact O-N 3.13Å; E9-H39 CarbonylContact C-O 3.38Å; E9-H39 WeakPolarHBondContact CA-O 3.29Å; E9-H39 HydrophobicContact CB-CB 3.81Å; E9-H39 IonicContact OE2-CD2 3.73Å; F10-H39 PolarHBondContact N-O 2.97Å; H39-R285 VanDerWaalsContact CD2-CZ 3.44Å; H39-R285 PolarHBondContact CD2-NH1 2.72Å; H39-R285 PolarHBondContact CD2-NH2 3.2Å; H39-R285 VanDerWaalsContact CD2-NH2 3.25Å; H39-R285 VanDerWaalsContact CG-NH1 3.34Å
40C89.9Confident92.6Very high13 Ų1345.4 Ų45.49%0.08822%0.224CC..EExtended strand (participates in β ladder)trans-145.3121.7173.2-170.90000108.6F10 T37 W44 V45 M55 C57F10-C40 HydrophobicContact CB-CB 4.21Å; F10-C40 WeakPolarHBondContact O-CA 3.4Å; T37-C40 HydrophobicContact CG2-CB 4.24Å; C40-W44 WeakPolarHBondContact SG-CB 3.32Å; C40-V45 HydrophobicContact CB-CG2 3.81Å; C40-V45 WeakPolarHBondContact SG-CG2 3.26Å; C40-V45 PolarHBondContact SG-N 2.94Å; C40-V45 VanDerWaalsContact SG-N 3.39Å; C40-M55 HydrophobicContact CB-CE 4.16Å; C40-C57 VanDerWaalsContact CB-SG 3.52Å
41D86.2Confident92.5Very high33 Ų3344.5 Ų44.518%0.17620%0.204CC..  trans-69.1163.2173.974.830.9000111.7F10 W11 L12 F43 W44 V45F10-D41 PolarHBondContact O-N 3.43Å; W11-D41 WeakPolarHBondContact CA-OD2 3.02Å; L12-D41 PolarHBondContact N-OD2 3.27Å; D41-F43 VanDerWaalsContact C-N 3.26Å; D41-F43 PolarHBondContact O-N 3.03Å; D41-F43 WeakPolarHBondContact OD1-CA 3.48Å; D41-F43 WeakPolarHBondContact OD1-CB 3.46Å; D41-F43 PolarHBondContact OD1-N 3.2Å; D41-W44 PolarHBondContact O-N 3Å; D41-W44 VanDerWaalsContact OD1-CD1 3.26Å; D41-W44 PolarHBondContact OD1-N 3.27Å; D41-V45 WeakPolarHBondContact O-CG2 3.04Å; D41-V45 PolarHBondContact O-N 3.32Å
42Q86.1Confident92.5Very high126 Ų12643.7 Ų43.759%0.58920%0.201SC*.Hα-helixtrans-59.5-36.7-176.1-175.661.626.100112.7W44 V45 E46Q42-W44 PolarHBondContact O-N 3.3Å; Q42-V45 PolarHBondContact O-N 3.2Å; Q42-E46 PolarHBondContact NE2-OE1 3.48Å; Q42-E46 PolarHBondContact O-N 3.5Å
43F86.1Confident92.4Very high61 Ų6143.9 Ų43.927%0.26820%0.203SC..Hα-helixtrans-61.8-44.9179.2166.2-93.4000111.1L12 D41 K47L12-F43 HydrophobicContact CD2-CD1 3.74Å; L12-F43 HydrophobicContact CD2-CE1 3.76Å; L12-F43 HydrophobicContact CD2-CG 4.3Å; L12-F43 HydrophobicContact CD2-CZ 4.3Å; D41-F43 VanDerWaalsContact C-N 3.26Å; D41-F43 PolarHBondContact O-N 3.03Å; D41-F43 WeakPolarHBondContact OD1-CA 3.48Å; D41-F43 WeakPolarHBondContact OD1-CB 3.46Å; D41-F43 PolarHBondContact OD1-N 3.2Å; F43-K47 HydrophobicContact CE1-CD 4.26Å; F43-K47 HydrophobicContact CZ-CD 4.13Å
44W90.5Very high92.3Very high5 Ų547.2 Ų47.22%0.01922%0.218CC..Hα-helixtrans-74.8-36.7177.9-74.6116.8000113F10 W11 E16 A17 F20 C40 D41 Q42 E46 K47 L48 V181F10-W44 HydrophobicContact CB-CB 3.66Å; F10-W44 HydrophobicContact CB-CD2 4.43Å; F10-W44 HydrophobicContact CB-CG 3.68Å; F10-W44 HydrophobicContact CD1-CB 4.3Å; F10-W44 AromaticContact CD1-CD2 3.85Å; F10-W44 HydrophobicContact CD1-CD2 3.85Å; F10-W44 HydrophobicContact CD1-CE3 4.06Å; F10-W44 AromaticContact CD1-CG 3.97Å; F10-W44 HydrophobicContact CD1-CG 3.97Å; F10-W44 HydrophobicContact CG-CB 4.25Å; F10-W44 HydrophobicContact CG-CG 4.25Å; W11-W44 PolarHBondContact O-NE1 3.11Å; E16-W44 HydrophobicContact CB-CH2 4.37Å; E16-W44 HydrophobicContact CB-CZ2 3.68Å; A17-W44 HydrophobicContact CB-CH2 4.48Å; F20-W44 HydrophobicContact CB-CH2 4.13Å; F20-W44 HydrophobicContact CB-CZ3 3.61Å; F20-W44 HydrophobicContact CD1-CZ3 4.06Å; F20-W44 HydrophobicContact CD2-CE3 4.5Å; F20-W44 HydrophobicContact CD2-CZ3 4.07Å; F20-W44 HydrophobicContact CG-CE3 4.49Å; F20-W44 HydrophobicContact CG-CH2 4.49Å; F20-W44 AromaticContact CG-CZ3 3.65Å; F20-W44 HydrophobicContact CG-CZ3 3.65Å; C40-W44 WeakPolarHBondContact SG-CB 3.32Å; D41-W44 PolarHBondContact O-N 3Å; D41-W44 VanDerWaalsContact OD1-CD1 3.26Å; D41-W44 PolarHBondContact OD1-N 3.27Å; Q42-W44 PolarHBondContact O-N 3.3Å; W44-E46 VanDerWaalsContact C-N 3.3Å; W44-E46 PolarHBondContact O-N 3.29Å; W44-K47 PolarHBondContact O-N 3.32Å; W44-L48 HydrophobicContact CB-CD1 4.1Å; W44-L48 VanDerWaalsContact O-CB 3.28Å; W44-L48 WeakPolarHBondContact O-CB 3.4Å; W44-L48 VanDerWaalsContact O-CG 3.23Å; W44-L48 WeakPolarHBondContact O-CG 3.41Å; W44-L48 PolarHBondContact O-N 2.91Å; W44-V181 HydrophobicContact CZ3-CG1 4.44Å
45V91.2Very high92.2Very high25 Ų2548 Ų4815%0.15222%0.223CC..Hα-helixtrans-54.8-49177.6168.70000110.2C40 D41 Q42 K47 L48 Q49C40-V45 HydrophobicContact CB-CG2 3.81Å; C40-V45 WeakPolarHBondContact SG-CG2 3.26Å; C40-V45 PolarHBondContact SG-N 2.94Å; C40-V45 VanDerWaalsContact SG-N 3.39Å; D41-V45 WeakPolarHBondContact O-CG2 3.04Å; D41-V45 PolarHBondContact O-N 3.32Å; Q42-V45 PolarHBondContact O-N 3.2Å; V45-K47 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.42Å; V45-L48 PolarHBondContact O-N 3.23Å; V45-Q49 HydrophobicContact CG1-CG 4.13Å; V45-Q49 WeakPolarHBondContact O-CB 3.34Å; V45-Q49 VanDerWaalsContact O-CG 3.28Å; V45-Q49 WeakPolarHBondContact O-CG 3.46Å; V45-Q49 PolarHBondContact O-N 3Å
46E89Confident92.1Very high88 Ų8849.1 Ų49.141%0.41123%0.229SC..Hα-helixtrans-63.1-38.7-178.6-71.1176.8-162.100113Q42 W44 R50Q42-E46 PolarHBondContact NE2-OE1 3.48Å; Q42-E46 PolarHBondContact O-N 3.5Å; W44-E46 VanDerWaalsContact C-N 3.3Å; W44-E46 PolarHBondContact O-N 3.29Å; E46-R50 WeakPolarHBondContact O-CD 3.2Å; E46-R50 WeakPolarHBondContact O-CG 3.25Å
47K91.4Very high91.8Very high46 Ų4652.2 Ų52.220%0.225%0.25CC..Hα-helixtrans-74-42.6177.6-67.3-172.5-164.1-80.20111.5F20 F43 W44 V45 R50 N51 V181 E185F20-K47 HydrophobicContact CE2-CB 3.93Å; F20-K47 HydrophobicContact CZ-CB 3.96Å; F20-K47 HydrophobicContact CZ-CD 4.39Å; F43-K47 HydrophobicContact CE1-CD 4.26Å; F43-K47 HydrophobicContact CZ-CD 4.13Å; W44-K47 PolarHBondContact O-N 3.32Å; V45-K47 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.42Å; K47-R50 PolarHBondContact O-N 3.02Å; K47-N51 PolarHBondContact O-N 2.79Å; K47-N51 PolarHBondContact O-ND2 2.87Å; K47-V181 HydrophobicContact CD-CG1 3.67Å; K47-E185 IonicContact NZ-OE1 3.34Å; K47-E185 PolarHBondContact NZ-OE1 3.45Å
48L94.4Very high91.1Very high0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-70-46.1-176.3-70.9166.9000111.6F10 F20 I23 L35 W44 V45 R50 N51 V52 M55F10-L48 HydrophobicContact CB-CD1 4.38Å; F10-L48 HydrophobicContact CD1-CD1 3.81Å; F10-L48 HydrophobicContact CD2-CD1 3.69Å; F10-L48 HydrophobicContact CE1-CD1 3.94Å; F10-L48 HydrophobicContact CE1-CD2 4.13Å; F10-L48 HydrophobicContact CE2-CD1 3.83Å; F10-L48 HydrophobicContact CG-CD1 3.69Å; F10-L48 HydrophobicContact CZ-CD1 3.95Å; F10-L48 HydrophobicContact CZ-CD2 4.09Å; F20-L48 HydrophobicContact CD2-CD2 3.84Å; F20-L48 HydrophobicContact CE2-CD2 4.34Å; I23-L48 HydrophobicContact CD1-CD2 3.91Å; L35-L48 HydrophobicContact CD2-CB 4.38Å; L35-L48 HydrophobicContact CD2-CD1 3.75Å; L35-L48 HydrophobicContact CD2-CD2 3.77Å; L35-L48 HydrophobicContact CD2-CG 4.18Å; W44-L48 HydrophobicContact CB-CD1 4.1Å; W44-L48 VanDerWaalsContact O-CB 3.28Å; W44-L48 WeakPolarHBondContact O-CB 3.4Å; W44-L48 VanDerWaalsContact O-CG 3.23Å; W44-L48 WeakPolarHBondContact O-CG 3.41Å; W44-L48 PolarHBondContact O-N 2.91Å; V45-L48 PolarHBondContact O-N 3.23Å; L48-R50 PolarHBondContact O-N 3.47Å; L48-R50 VanDerWaalsContact O-N 3.08Å; L48-N51 CarbonylContact O-C 3.04Å; L48-N51 PolarHBondContact O-N 3.47Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.39Å; L48-M55 HydrophobicContact CB-CE 4.21Å; L48-M55 HydrophobicContact CB-SD 3.9Å; L48-M55 HydrophobicContact CD1-CE 3.77Å
49Q92.7Very high90.2Very high129 Ų12956.8 Ų56.860%0.60329%0.287SS*.Hα-helixtrans-56.9-28.1178.6-75.9179.7-19.900113.5V45V45-Q49 HydrophobicContact CG1-CG 4.13Å; V45-Q49 WeakPolarHBondContact O-CB 3.34Å; V45-Q49 VanDerWaalsContact O-CG 3.28Å; V45-Q49 WeakPolarHBondContact O-CG 3.46Å; V45-Q49 PolarHBondContact O-N 3Å
50R92.5Very high89.3Confident195 Ų19555.9 Ų55.974%0.73629%0.285SS*.Hα-helixtrans-82-20.5176.7-66.6175.8-172171.37.4113.6E46 K47 L48E46-R50 WeakPolarHBondContact O-CD 3.2Å; E46-R50 WeakPolarHBondContact O-CG 3.25Å; K47-R50 PolarHBondContact O-N 3.02Å; L48-R50 PolarHBondContact O-N 3.47Å; L48-R50 VanDerWaalsContact O-N 3.08Å
51N94.6Very high87.9Confident44 Ų4460.9 Ų60.924%0.23532%0.32CS..Hα-helixtrans-116.2-14-169.7-69.5-71.8000113.7F20 L24 R27 K47 L48F20-N51 HydrophobicContact CE2-CB 4.27Å; L24-N51 HydrophobicContact CD2-CB 3.89Å; L24-N51 VanDerWaalsContact CD2-CG 3.41Å; L24-N51 WeakPolarHBondContact CD2-OD1 3.23Å; R27-N51 WeakPolarHBondContact CD-O 3.43Å; R27-N51 WeakPolarHBondContact CG-O 3.45Å; R27-N51 PolarHBondContact NE-O 3.08Å; K47-N51 PolarHBondContact O-N 2.79Å; K47-N51 PolarHBondContact O-ND2 2.87Å; L48-N51 CarbonylContact O-C 3.04Å; L48-N51 PolarHBondContact O-N 3.47Å
52V97Very high87.3Confident12 Ų1263 Ų637%0.07333%0.334CS..  trans-105.1151.3171.7-52.70000110.9I23 V33 L35 L48 M55I23-V52 HydrophobicContact CD1-CG1 4.34Å; I23-V52 HydrophobicContact CG2-CG1 3.78Å; V33-V52 HydrophobicContact CG1-CG1 4.48Å; L35-V52 HydrophobicContact CB-CB 4.5Å; L35-V52 HydrophobicContact CB-CG1 4.05Å; L35-V52 HydrophobicContact CB-CG2 4.45Å; L35-V52 HydrophobicContact CD2-CG1 4.5Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.39Å; V52-M55 HydrophobicContact CG2-CB 3.83Å; V52-M55 HydrophobicContact CG2-CG 4.46Å
53D97.2Very high86.5Confident69 Ų6958.3 Ų58.337%0.36932%0.317SS..SBendtrans-77.3-37.5179.1-61.8-85.8000111.3R27 I32 V33R27-D53 WeakPolarHBondContact CD-OD2 3.38Å; R27-D53 IonicContact CZ-OD1 2.76Å; R27-D53 IonicContact CZ-OD2 3.03Å; R27-D53 IonicContact NE-OD2 3.46Å; R27-D53 IonicContact NH1-OD1 3.74Å; R27-D53 IonicContact NH1-OD2 2.82Å; R27-D53 IonicContact NH2-OD1 3.49Å; R27-D53 PolarHBondContact NH2-OD1 3Å; I32-D53 VanDerWaalsContact CA-OD2 3.32Å; I32-D53 WeakPolarHBondContact CA-OD2 3.45Å; I32-D53 HydrophobicContact CG2-CB 3.72Å; I32-D53 WeakPolarHBondContact CG2-OD2 3.29Å; V33-D53 PolarHBondContact N-OD2 3.45Å; V33-D53 PolarHBondContact O-N 3.37Å
54E96.7Very high85.9Confident71 Ų7157.2 Ų57.233%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-144.3147.6167.2-66.6-167.2-136.100112.4Y34 L35 K80 W81Y34-E54 WeakPolarHBondContact CA-O 3.48Å; Y34-E54 HydrophobicContact CD1-CB 3.67Å; Y34-E54 HydrophobicContact CD1-CG 4.21Å; Y34-E54 HydrophobicContact CE1-CB 3.84Å; Y34-E54 HydrophobicContact CE1-CG 3.83Å; Y34-E54 WeakPolarHBondContact CE1-OE1 3.46Å; Y34-E54 HydrophobicContact CG-CB 4.49Å; L35-E54 PolarHBondContact N-O 3.21Å; E54-K80 VanDerWaalsContact OE2-CE 3.32Å; E54-K80 WeakPolarHBondContact OE2-CE 3.43Å; E54-K80 IonicContact OE2-NZ 4Å; E54-K80 PolarHBondContact OE2-NZ 3.5Å; E54-W81 HydrophobicContact CB-CZ2 3.67Å; E54-W81 PolarHBondContact OE2-NE1 3.42Å
55M95.8Very high85.3Confident37 Ų3758.8 Ų58.818%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-129.2143179.5-165.6175.517400111.7L35 T37 C40 L48 V52 C57L35-M55 HydrophobicContact CB-CG 4.31Å; L35-M55 HydrophobicContact CD2-CE 3.91Å; L35-M55 HydrophobicContact CD2-CG 4.21Å; L35-M55 HydrophobicContact CD2-SD 4.26Å; L35-M55 HydrophobicContact CG-CG 4.32Å; L35-M55 CarbonylContact O-C 3.53Å; L35-M55 VanDerWaalsContact O-CA 3.26Å; L35-M55 WeakPolarHBondContact O-CA 3.48Å; T37-M55 HydrophobicContact CG2-CE 3.56Å; C40-M55 HydrophobicContact CB-CE 4.16Å; L48-M55 HydrophobicContact CB-CE 4.21Å; L48-M55 HydrophobicContact CB-SD 3.9Å; L48-M55 HydrophobicContact CD1-CE 3.77Å; V52-M55 HydrophobicContact CG2-CB 3.83Å; V52-M55 HydrophobicContact CG2-CG 4.46Å; M55-C57 HydrophobicContact CE-CB 4.16Å
56I94.2Very high84.8Confident23 Ų2359.1 Ų59.112%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-114.4124.3159-57.9170.4000106.6L35 T37 K76 K80 W81L35-I56 PolarHBondContact O-N 2.89Å; T37-I56 PolarHBondContact N-O 3.42Å; I56-K76 HydrophobicContact CG2-CB 4.44Å; I56-K80 HydrophobicContact CD1-CB 3.75Å; I56-K80 HydrophobicContact CD1-CD 3.49Å; I56-K80 VanDerWaalsContact CD1-CD 3.49Å; I56-K80 HydrophobicContact CD1-CG 4.22Å; I56-K80 HydrophobicContact CG1-CD 3.47Å; I56-K80 VanDerWaalsContact CG1-CD 3.47Å; I56-W81 HydrophobicContact CB-CH2 4.43Å; I56-W81 HydrophobicContact CD1-CD2 4.44Å; I56-W81 HydrophobicContact CD1-CE3 4.09Å; I56-W81 HydrophobicContact CD1-CH2 3.78Å; I56-W81 HydrophobicContact CD1-CZ2 4.11Å; I56-W81 HydrophobicContact CD1-CZ3 3.76Å; I56-W81 HydrophobicContact CG1-CH2 3.61Å; I56-W81 HydrophobicContact CG1-CZ2 3.82Å; I56-W81 HydrophobicContact CG1-CZ3 4.12Å
57C91Very high84.6Confident66 Ų6656.5 Ų56.545%0.44632%0.318SS..EExtended strand (participates in β ladder)trans-119.1121.3167.5-175.70000107.9T37 G38 C40 M55T37-C57 HydrophobicContact CG2-CB 4.35Å; T37-C57 WeakPolarHBondContact O-CA 3.45Å; G38-C57 PolarHBondContact O-SG 3.43Å; G38-C57 VanDerWaalsContact O-SG 3.41Å; C40-C57 VanDerWaalsContact CB-SG 3.52Å; M55-C57 HydrophobicContact CE-CB 4.16Å
58S78.1Confident84.3Confident17 Ų1759.8 Ų59.812%0.11933%0.333CS..  trans-142.1117-176.657.60000110.9T37 G38 V60 Y72T37-S58 PolarHBondContact O-N 2.96Å; T37-S58 VanDerWaalsContact O-N 3.09Å; G38-S58 CarbonylContact C-O 3.57Å; G38-S58 WeakPolarHBondContact CA-O 3.44Å; G38-S58 CarbonylContact O-C 3.57Å; G38-S58 PolarHBondContact O-N 2.97Å; S58-V60 PolarHBondContact O-N 3.26Å; S58-V60 VanDerWaalsContact O-N 3.11Å; S58-Y72 VanDerWaalsContact OG-CE1 3.3Å; S58-Y72 WeakPolarHBondContact OG-CE1 3.49Å
59A71Confident84Confident81 Ų8159.8 Ų59.867%0.66933%0.334SS*.  trans-54120.8-178.500000111.8
60V69.3Low83.9Confident33 Ų3353.7 Ų53.720%0.231%0.305CS..  trans-78.2143.7167178.10000107.5S58 T62 Y72S58-V60 PolarHBondContact O-N 3.26Å; S58-V60 VanDerWaalsContact O-N 3.11Å; V60-T62 PolarHBondContact O-N 2.79Å; V60-Y72 HydrophobicContact CG2-CD1 4.29Å
61S61Low83.9Confident117 Ų11747 Ų4782%0.81828%0.283SS*.SBendtrans-62.5-27.3-172.855.60000114.3
62T72.7Confident83.8Confident79 Ų7949.4 Ų49.449%0.48529%0.29SS..SBendtrans-135.3113-170.1-44.10000109.9V60 D65V60-T62 PolarHBondContact O-N 2.79Å; T62-D65 HydrophobicContact CG2-CB 4.33Å; T62-D65 PolarHBondContact O-N 3.37Å
63A70.9Confident83.6Confident26 Ų2648.9 Ų48.922%0.21529%0.287CS..THydrogen-bonded Turntrans-60.8139.1174.800000110.4D65 M286A63-D65 VanDerWaalsContact C-N 3.26Å; A63-D65 PolarHBondContact O-N 2.95Å; A63-M286 HydrophobicContact CB-CE 3.81Å; A63-M286 HydrophobicContact CB-SD 4.3Å
64G71.9Confident83.4Confident38 Ų3845.6 Ų45.639%0.39227%0.269SS..THydrogen-bonded Turntrans78.2-9.1-175.400000116.3E9 Y66E9-G64 PolarHBondContact OE1-N 3.13Å; G64-Y66 VanDerWaalsContact C-N 3.27Å; G64-Y66 PolarHBondContact O-N 2.84Å
65D77.8Confident83.3Confident38 Ų3845.3 Ų45.320%0.20327%0.269CS..  trans-80.276.9171.6-174.2-3000110.7T62 A63 F67 H68 G69T62-D65 HydrophobicContact CG2-CB 4.33Å; T62-D65 PolarHBondContact O-N 3.37Å; A63-D65 VanDerWaalsContact C-N 3.26Å; A63-D65 PolarHBondContact O-N 2.95Å; D65-F67 PolarHBondContact O-N 3.1Å; D65-F67 PolarHBondContact OD1-N 3.17Å; D65-H68 VanDerWaalsContact CG-ND1 3.32Å; D65-H68 IonicContact OD1-CG 4Å; D65-H68 PolarHBondContact OD1-N 2.79Å; D65-H68 IonicContact OD1-ND1 3.46Å; D65-H68 PolarHBondContact OD1-ND1 2.82Å; D65-H68 WeakPolarHBondContact OD2-CB 3.43Å; D65-H68 IonicContact OD2-CE1 2.68Å; D65-H68 IonicContact OD2-CG 2.57Å; D65-H68 IonicContact OD2-ND1 3.6Å; D65-H68 PolarHBondContact OD2-ND1 2.83Å; D65-G69 WeakPolarHBondContact O-CA 3.5Å; D65-G69 PolarHBondContact O-N 2.87Å
66Y82.3Confident83.3Confident33 Ų3347.9 Ų47.913%0.12928%0.279CS..Hα-helixtrans-73.5-15.6-179.3-58.4-15.8000112.6P8 E9 G64 M70 A92 S93 Y116 M119P8-Y66 HydrophobicContact CB-CD1 3.69Å; P8-Y66 HydrophobicContact CB-CE1 4.27Å; P8-Y66 HydrophobicContact CB-CG 4.13Å; P8-Y66 HydrophobicContact CG-CD1 3.9Å; P8-Y66 HydrophobicContact CG-CD2 4.49Å; P8-Y66 HydrophobicContact CG-CE1 4.26Å; P8-Y66 HydrophobicContact CG-CG 4.04Å; E9-Y66 HydrophobicContact CG-CE1 4.01Å; E9-Y66 WeakPolarHBondContact OE1-CE1 3.45Å; G64-Y66 VanDerWaalsContact C-N 3.27Å; G64-Y66 PolarHBondContact O-N 2.84Å; Y66-M70 VanDerWaalsContact O-CB 3.32Å; Y66-M70 WeakPolarHBondContact O-CB 3.27Å; Y66-M70 WeakPolarHBondContact O-CG 3.46Å; Y66-A92 HydrophobicContact CD2-CB 4.33Å; Y66-S93 VanDerWaalsContact O-CB 3.31Å; Y66-S93 WeakPolarHBondContact O-CB 3.31Å; Y66-S93 PolarHBondContact O-OG 3.27Å; Y66-Y116 HydrophobicContact CD2-CE2 4.32Å; Y66-Y116 HydrophobicContact CG-CE2 4.46Å; Y66-M119 HydrophobicContact CE2-CE 4.42Å
67F84.1Confident83.3Confident33 Ų3346.8 Ų46.815%0.14527%0.273CS..Hα-helixtrans-77.7-58.5179.5-168.9-91.5000110.8D65 M70 L71 G95 Y116 M134 I137D65-F67 PolarHBondContact O-N 3.1Å; D65-F67 PolarHBondContact OD1-N 3.17Å; F67-M70 PolarHBondContact O-N 2.87Å; F67-L71 HydrophobicContact CE1-CD1 4.23Å; F67-G95 VanDerWaalsContact CE2-CA 3.44Å; F67-Y116 HydrophobicContact CB-CE1 4.2Å; F67-M134 HydrophobicContact CD2-SD 4.45Å; F67-I137 HydrophobicContact CE2-CG2 3.51Å; F67-I137 HydrophobicContact CZ-CG2 3.57Å
68H85.7Confident83.6Confident114 Ų11446.3 Ų46.353%0.52826%0.262SS..Hα-helixtrans-75.2-34.2-179-54.596.7000112.1D65 M70 L71 Y72D65-H68 VanDerWaalsContact CG-ND1 3.32Å; D65-H68 IonicContact OD1-CG 4Å; D65-H68 PolarHBondContact OD1-N 2.79Å; D65-H68 IonicContact OD1-ND1 3.46Å; D65-H68 PolarHBondContact OD1-ND1 2.82Å; D65-H68 WeakPolarHBondContact OD2-CB 3.43Å; D65-H68 IonicContact OD2-CE1 2.68Å; D65-H68 IonicContact OD2-CG 2.57Å; D65-H68 IonicContact OD2-ND1 3.6Å; D65-H68 PolarHBondContact OD2-ND1 2.83Å; H68-M70 PolarHBondContact O-N 3.13Å; H68-L71 PolarHBondContact O-N 2.81Å; H68-L71 VanDerWaalsContact O-N 3.15Å; H68-Y72 PolarHBondContact O-N 3.38Å; H68-Y72 VanDerWaalsContact O-N 3.08Å
69G87.2Confident84.5Confident1 Ų153 Ų531%0.0129%0.289CS..Hα-helixtrans-55.1-39.8174.900000112.1D65 Y72 V73D65-G69 WeakPolarHBondContact O-CA 3.5Å; D65-G69 PolarHBondContact O-N 2.87Å; G69-Y72 WeakPolarHBondContact O-CB 3.34Å; G69-Y72 PolarHBondContact O-N 3.14Å; G69-V73 VanDerWaalsContact O-CG2 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.29Å; G69-V73 PolarHBondContact O-N 2.82Å
70M91.4Very high85.7Confident0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-71.2-35.2179.4-71.6-58.1-71.600113.6C6 P8 Y66 F67 H68 Y72 V73 A74 L90 A96C6-M70 HydrophobicContact CB-CE 3.75Å; C6-M70 WeakPolarHBondContact O-CE 3.43Å; P8-M70 VanDerWaalsContact CA-SD 3.56Å; P8-M70 HydrophobicContact CB-CG 4.15Å; P8-M70 HydrophobicContact CB-SD 3.77Å; P8-M70 WeakPolarHBondContact CD-SD 3.34Å; P8-M70 HydrophobicContact CG-SD 4.18Å; Y66-M70 VanDerWaalsContact O-CB 3.32Å; Y66-M70 WeakPolarHBondContact O-CB 3.27Å; Y66-M70 WeakPolarHBondContact O-CG 3.46Å; F67-M70 PolarHBondContact O-N 2.87Å; H68-M70 PolarHBondContact O-N 3.13Å; M70-Y72 VanDerWaalsContact C-N 3.32Å; M70-V73 PolarHBondContact O-N 2.99Å; M70-A74 WeakPolarHBondContact O-CB 3.5Å; M70-A74 PolarHBondContact O-N 2.93Å; M70-L90 HydrophobicContact CE-CD1 3.12Å; M70-L90 HydrophobicContact CE-CG 4.41Å; M70-A96 HydrophobicContact CB-CB 3.89Å; M70-A96 WeakPolarHBondContact O-CB 3.39Å
71L92.4Very high87.1Confident54 Ų5453.5 Ų53.528%0.28327%0.273SS..Hα-helixtrans-62.3-43172.3-64.8172.7000111F67 H68 A74 M75 A96 L99F67-L71 HydrophobicContact CE1-CD1 4.23Å; H68-L71 PolarHBondContact O-N 2.81Å; H68-L71 VanDerWaalsContact O-N 3.15Å; L71-A74 PolarHBondContact O-N 3.25Å; L71-M75 WeakPolarHBondContact O-CG 3.25Å; L71-M75 PolarHBondContact O-N 3.47Å; L71-A96 HydrophobicContact CD2-CB 4.4Å; L71-L99 HydrophobicContact CD2-CB 4.28Å; L71-L99 HydrophobicContact CD2-CD2 3.92Å
72Y91.4Very high88.8Confident96 Ų9648.7 Ų48.738%0.37624%0.242SC..Hα-helixtrans-63.3-46.6177.2178.4-105.9000112.2S58 V60 H68 G69 M70 A74 M75 K76S58-Y72 VanDerWaalsContact OG-CE1 3.3Å; S58-Y72 WeakPolarHBondContact OG-CE1 3.49Å; V60-Y72 HydrophobicContact CG2-CD1 4.29Å; H68-Y72 PolarHBondContact O-N 3.38Å; H68-Y72 VanDerWaalsContact O-N 3.08Å; G69-Y72 WeakPolarHBondContact O-CB 3.34Å; G69-Y72 PolarHBondContact O-N 3.14Å; M70-Y72 VanDerWaalsContact C-N 3.32Å; Y72-A74 VanDerWaalsContact C-N 3.34Å; Y72-A74 PolarHBondContact O-N 3.31Å; Y72-M75 PolarHBondContact O-N 3.17Å; Y72-K76 HydrophobicContact CD1-CG 4.47Å; Y72-K76 HydrophobicContact CE1-CG 4.14Å; Y72-K76 HydrophobicContact CE2-CG 4.27Å; Y72-K76 WeakPolarHBondContact O-CG 3Å; Y72-K76 PolarHBondContact O-N 3.44Å; Y72-K76 WeakPolarHBondContact OH-CE 2.97Å
73V92.8Very high89.9Confident1 Ų150.6 Ų50.61%0.00624%0.241CC..Hα-helixtrans-58.1-45.5175.9167.90000111.2C6 A36 G69 M70 M75 K76 A77C6-V73 HydrophobicContact CB-CG1 4.24Å; A36-V73 VanDerWaalsContact C-CG1 3.5Å; A36-V73 HydrophobicContact CB-CG1 3.53Å; A36-V73 WeakPolarHBondContact O-CG1 3.22Å; G69-V73 VanDerWaalsContact O-CG2 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.29Å; G69-V73 PolarHBondContact O-N 2.82Å; M70-V73 PolarHBondContact O-N 2.99Å; V73-M75 PolarHBondContact O-N 3.26Å; V73-K76 PolarHBondContact O-N 3.32Å; V73-A77 PolarHBondContact O-N 3.05Å
74A94.5Very high91.1Very high0 Ų052.2 Ų52.20%025%0.245CC..Hα-helixtrans-61.6-43.6177.700000112.5M70 L71 Y72 A77 W78 A96 L99 L100M70-A74 WeakPolarHBondContact O-CB 3.5Å; M70-A74 PolarHBondContact O-N 2.93Å; L71-A74 PolarHBondContact O-N 3.25Å; Y72-A74 VanDerWaalsContact C-N 3.34Å; Y72-A74 PolarHBondContact O-N 3.31Å; A74-A77 PolarHBondContact O-N 2.88Å; A74-W78 WeakPolarHBondContact O-CB 3.39Å; A74-W78 PolarHBondContact O-N 2.72Å; A74-A96 HydrophobicContact CB-CB 4.07Å; A74-L99 HydrophobicContact CB-CD2 4.12Å; A74-L100 HydrophobicContact CB-CD2 3.59Å; A74-L100 HydrophobicContact CB-CG 3.93Å
75M94.6Very high92.4Very high65 Ų6550.4 Ų50.432%0.3223%0.226SC..Hα-helixtrans-64.2-41.7176.6-71.4-60.8-63.300112L71 Y72 V73 W78 F79 L99 L103L71-M75 WeakPolarHBondContact O-CG 3.25Å; L71-M75 PolarHBondContact O-N 3.47Å; Y72-M75 PolarHBondContact O-N 3.17Å; V73-M75 PolarHBondContact O-N 3.26Å; M75-W78 WeakPolarHBondContact O-CB 3.14Å; M75-W78 PolarHBondContact O-N 3.38Å; M75-F79 HydrophobicContact CE-CD2 4.36Å; M75-F79 HydrophobicContact CE-CE2 3.48Å; M75-F79 VanDerWaalsContact CE-CE2 3.48Å; M75-F79 HydrophobicContact CE-CZ 3.87Å; M75-F79 WeakPolarHBondContact O-CD2 3.29Å; M75-F79 PolarHBondContact O-N 2.91Å; M75-L99 HydrophobicContact CG-CD2 3.96Å; M75-L99 HydrophobicContact SD-CD1 4.16Å; M75-L99 HydrophobicContact SD-CD2 3.86Å; M75-L99 HydrophobicContact SD-CG 4.43Å; M75-L103 HydrophobicContact SD-CD1 3.86Å
76K94.4Very high93.3Very high90 Ų9052.1 Ų52.139%0.39124%0.235SC..Hα-helixtrans-63.1-44.5176.6-74.8-67.8-1711790112I56 Y72 V73 W78 F79 K80I56-K76 HydrophobicContact CG2-CB 4.44Å; Y72-K76 HydrophobicContact CD1-CG 4.47Å; Y72-K76 HydrophobicContact CE1-CG 4.14Å; Y72-K76 HydrophobicContact CE2-CG 4.27Å; Y72-K76 WeakPolarHBondContact O-CG 3Å; Y72-K76 PolarHBondContact O-N 3.44Å; Y72-K76 WeakPolarHBondContact OH-CE 2.97Å; V73-K76 PolarHBondContact O-N 3.32Å; K76-W78 VanDerWaalsContact C-N 3.29Å; K76-W78 PolarHBondContact O-N 2.9Å; K76-F79 PolarHBondContact O-N 3.2Å; K76-K80 WeakPolarHBondContact O-CB 3.35Å; K76-K80 PolarHBondContact O-N 2.99Å; K76-K80 VanDerWaalsContact O-N 3.08Å
77A95.9Very high94Very high0 Ų050.8 Ų50.80%023%0.231CC..Hα-helixtrans-58.6-43.5174.500000111.4L4 A36 V73 A74 K80 W81 F104L4-A77 HydrophobicContact CD1-CB 4.27Å; L4-A77 HydrophobicContact CD2-CB 3.95Å; A36-A77 HydrophobicContact CB-CB 3.82Å; V73-A77 PolarHBondContact O-N 3.05Å; A74-A77 PolarHBondContact O-N 2.88Å; A77-K80 PolarHBondContact O-N 2.86Å; A77-W81 HydrophobicContact CB-CE3 4.06Å; A77-W81 HydrophobicContact CB-CZ3 4.2Å; A77-W81 PolarHBondContact O-N 3.05Å; A77-F104 HydrophobicContact CB-CZ 4.1Å
78W96.9Very high94.7Very high56 Ų5649.2 Ų49.221%0.21222%0.224CC..Hα-helixtrans-60.9-51.6178.3170.9-107.5000112.5A74 M75 K76 K80 G82 R83 L103 F104A74-W78 WeakPolarHBondContact O-CB 3.39Å; A74-W78 PolarHBondContact O-N 2.72Å; M75-W78 WeakPolarHBondContact O-CB 3.14Å; M75-W78 PolarHBondContact O-N 3.38Å; K76-W78 VanDerWaalsContact C-N 3.29Å; K76-W78 PolarHBondContact O-N 2.9Å; W78-K80 VanDerWaalsContact C-N 3.27Å; W78-K80 PolarHBondContact O-N 2.88Å; W78-G82 WeakPolarHBondContact O-CA 3.26Å; W78-G82 PolarHBondContact O-N 3.03Å; W78-R83 HydrophobicContact CH2-CG 3.83Å; W78-R83 VanDerWaalsContact CH2-CZ 3.43Å; W78-R83 HydrophobicContact CZ3-CG 3.5Å; W78-L103 HydrophobicContact CB-CD1 3.78Å; W78-L103 HydrophobicContact CD2-CB 3.95Å; W78-L103 HydrophobicContact CD2-CD1 4.31Å; W78-L103 HydrophobicContact CD2-CD2 4.07Å; W78-L103 HydrophobicContact CD2-CG 4.33Å; W78-L103 HydrophobicContact CE3-CB 3.76Å; W78-L103 HydrophobicContact CG-CB 4.32Å; W78-L103 HydrophobicContact CG-CD1 3.82Å; W78-L103 HydrophobicContact CG-CD2 4.17Å; W78-L103 HydrophobicContact CG-CG 4.33Å; W78-L103 HydrophobicContact CZ3-CB 4.31Å; W78-L103 WeakPolarHBondContact CZ3-O 3.39Å; W78-F104 HydrophobicContact CB-CE2 4.22Å; W78-F104 HydrophobicContact CB-CZ 3.96Å; W78-F104 HydrophobicContact CE3-CD1 4.27Å; W78-F104 HydrophobicContact CE3-CE1 4.1Å; W78-F104 HydrophobicContact CE3-CE2 4.43Å; W78-F104 HydrophobicContact CE3-CZ 4.2Å
79F96.5Very high95.2Very high157 Ų15744 Ų4469%0.68920%0.199SC*.Hα-helixtrans-65.6-29-179.1-76.4-60.9000113.3M75 K76M75-F79 HydrophobicContact CE-CD2 4.36Å; M75-F79 HydrophobicContact CE-CE2 3.48Å; M75-F79 VanDerWaalsContact CE-CE2 3.48Å; M75-F79 HydrophobicContact CE-CZ 3.87Å; M75-F79 WeakPolarHBondContact O-CD2 3.29Å; M75-F79 PolarHBondContact O-N 2.91Å; K76-F79 PolarHBondContact O-N 3.2Å
80K96.6Very high95.7Very high102 Ų10244 Ų4444%0.44320%0.2SC..Hα-helixtrans-80.9-47.3178.3-170-178.9172.7-157.90112.7E54 I56 K76 A77 W78E54-K80 VanDerWaalsContact OE2-CE 3.32Å; E54-K80 WeakPolarHBondContact OE2-CE 3.43Å; E54-K80 IonicContact OE2-NZ 4Å; E54-K80 PolarHBondContact OE2-NZ 3.5Å; I56-K80 HydrophobicContact CD1-CB 3.75Å; I56-K80 HydrophobicContact CD1-CD 3.49Å; I56-K80 VanDerWaalsContact CD1-CD 3.49Å; I56-K80 HydrophobicContact CD1-CG 4.22Å; I56-K80 HydrophobicContact CG1-CD 3.47Å; I56-K80 VanDerWaalsContact CG1-CD 3.47Å; K76-K80 WeakPolarHBondContact O-CB 3.35Å; K76-K80 PolarHBondContact O-N 2.99Å; K76-K80 VanDerWaalsContact O-N 3.08Å; A77-K80 PolarHBondContact O-N 2.86Å; W78-K80 VanDerWaalsContact C-N 3.27Å; W78-K80 PolarHBondContact O-N 2.88Å
81W97.4Very high95.8Very high23 Ų2344.2 Ų44.29%0.08720%0.201CC..Hα-helixtrans-117.7-20-165-62-51.3000115.2L4 Y34 A36 E54 I56 A77 I84 F85L4-W81 HydrophobicContact CD1-CE3 3.99Å; L4-W81 HydrophobicContact CD1-CZ3 3.57Å; Y34-W81 AromaticContact CD1-CD2 3.85Å; Y34-W81 HydrophobicContact CD1-CD2 3.85Å; Y34-W81 AromaticContact CD1-CE2 3.49Å; Y34-W81 VanDerWaalsContact CD1-CE2 3.49Å; Y34-W81 HydrophobicContact CD1-CE3 4.31Å; Y34-W81 HydrophobicContact CD1-CG 4.28Å; Y34-W81 HydrophobicContact CD1-CH2 4.12Å; Y34-W81 AromaticContact CD1-CZ2 3.66Å; Y34-W81 HydrophobicContact CD1-CZ2 3.66Å; Y34-W81 HydrophobicContact CD1-CZ3 4.43Å; Y34-W81 AromaticContact CD1-NE1 3.72Å; Y34-W81 HydrophobicContact CE1-CD2 4.43Å; Y34-W81 HydrophobicContact CE1-CG 4.44Å; Y34-W81 HydrophobicContact CE1-CZ2 4.48Å; Y34-W81 AromaticContact CE1-NE1 3.74Å; A36-W81 HydrophobicContact CB-CZ3 4.18Å; E54-W81 HydrophobicContact CB-CZ2 3.67Å; E54-W81 PolarHBondContact OE2-NE1 3.42Å; I56-W81 HydrophobicContact CB-CH2 4.43Å; I56-W81 HydrophobicContact CD1-CD2 4.44Å; I56-W81 HydrophobicContact CD1-CE3 4.09Å; I56-W81 HydrophobicContact CD1-CH2 3.78Å; I56-W81 HydrophobicContact CD1-CZ2 4.11Å; I56-W81 HydrophobicContact CD1-CZ3 3.76Å; I56-W81 HydrophobicContact CG1-CH2 3.61Å; I56-W81 HydrophobicContact CG1-CZ2 3.82Å; I56-W81 HydrophobicContact CG1-CZ3 4.12Å; A77-W81 HydrophobicContact CB-CE3 4.06Å; A77-W81 HydrophobicContact CB-CZ3 4.2Å; A77-W81 PolarHBondContact O-N 3.05Å; W81-I84 HydrophobicContact CB-CD1 4.06Å; W81-I84 HydrophobicContact CB-CG1 4.23Å; W81-I84 HydrophobicContact CG-CD1 4.5Å; W81-I84 WeakPolarHBondContact O-CG2 3.31Å; W81-F85 HydrophobicContact CB-CE2 3.69Å; W81-F85 HydrophobicContact CB-CZ 3.56Å; W81-F85 AromaticContact CD2-CZ 3.84Å; W81-F85 HydrophobicContact CD2-CZ 3.84Å; W81-F85 HydrophobicContact CE3-CE2 4.15Å; W81-F85 AromaticContact CE3-CZ 3.6Å; W81-F85 HydrophobicContact CE3-CZ 3.6Å; W81-F85 HydrophobicContact CG-CE2 4.43Å; W81-F85 AromaticContact CG-CZ 3.87Å; W81-F85 HydrophobicContact CG-CZ 3.87Å; W81-F85 HydrophobicContact CZ3-CZ 4.44Å
82G96.7Very high95.4Very high17 Ų1742.1 Ų42.118%0.17519%0.191CC..THydrogen-bonded Turntrans59.3-146.1-17800000113.9W78 I84 F104W78-G82 WeakPolarHBondContact O-CA 3.26Å; W78-G82 PolarHBondContact O-N 3.03Å; G82-I84 VanDerWaalsContact C-N 3.31Å; G82-I84 PolarHBondContact O-N 3.23Å; G82-F104 WeakPolarHBondContact O-CD1 3.3Å; G82-F104 WeakPolarHBondContact O-CE1 3.45Å
83R96.5Very high95.3Very high118 Ų11837.6 Ų37.645%0.44517%0.173SC..THydrogen-bonded Turntrans-85.520.9-169-65.3-167.8170.692.47.9116.1W78 F85 L103W78-R83 HydrophobicContact CH2-CG 3.83Å; W78-R83 VanDerWaalsContact CH2-CZ 3.43Å; W78-R83 HydrophobicContact CZ3-CG 3.5Å; R83-F85 PolarHBondContact O-N 3.26Å; R83-F85 VanDerWaalsContact O-N 3.14Å; R83-L103 PolarHBondContact NE-O 2.97Å; R83-L103 PolarHBondContact NH2-O 2.79Å
84I97Very high95.3Very high60 Ų6037.7 Ų37.731%0.30817%0.174SC..  trans-73.1-5.9-170.765.6168.7000115.1R2 Y34 W81 G82R2-I84 WeakPolarHBondContact CD-O 3.23Å; Y34-I84 HydrophobicContact CE1-CD1 4.17Å; W81-I84 HydrophobicContact CB-CD1 4.06Å; W81-I84 HydrophobicContact CB-CG1 4.23Å; W81-I84 HydrophobicContact CG-CD1 4.5Å; W81-I84 WeakPolarHBondContact O-CG2 3.31Å; G82-I84 VanDerWaalsContact C-N 3.31Å; G82-I84 PolarHBondContact O-N 3.23Å
85F97.9Very high95.1Very high0 Ų037.9 Ų37.90%018%0.176CC..  trans-88.6152.8-174.7-54.5-66.5000111.8R2 L4 Y34 W81 R83 F104 R106R2-F85 HydrophobicContact CB-CD1 4.19Å; R2-F85 WeakPolarHBondContact O-CA 3.23Å; L4-F85 HydrophobicContact CB-CB 4.37Å; L4-F85 HydrophobicContact CB-CD1 3.73Å; L4-F85 HydrophobicContact CB-CD2 3.86Å; L4-F85 HydrophobicContact CB-CE1 3.95Å; L4-F85 HydrophobicContact CB-CE2 4.06Å; L4-F85 HydrophobicContact CB-CG 3.69Å; L4-F85 HydrophobicContact CB-CZ 4.11Å; L4-F85 HydrophobicContact CD1-CE2 4.4Å; L4-F85 HydrophobicContact CD1-CZ 4.19Å; L4-F85 HydrophobicContact CD2-CD2 3.93Å; L4-F85 HydrophobicContact CD2-CE2 3.82Å; L4-F85 HydrophobicContact CD2-CZ 4.42Å; L4-F85 HydrophobicContact CG-CD2 4.45Å; L4-F85 HydrophobicContact CG-CE2 4.32Å; L4-F85 HydrophobicContact CG-CZ 4.47Å; Y34-F85 AromaticContact CD1-CE1 3.83Å; Y34-F85 HydrophobicContact CD1-CE1 3.83Å; Y34-F85 HydrophobicContact CD1-CZ 4.05Å; Y34-F85 HydrophobicContact CD2-CD1 4.34Å; Y34-F85 AromaticContact CD2-CE1 3.61Å; Y34-F85 HydrophobicContact CD2-CE1 3.61Å; Y34-F85 HydrophobicContact CE1-CE1 4.38Å; Y34-F85 HydrophobicContact CE2-CE1 4.17Å; Y34-F85 HydrophobicContact CG-CD1 4.5Å; Y34-F85 AromaticContact CG-CE1 3.44Å; Y34-F85 HydrophobicContact CG-CE1 3.44Å; Y34-F85 VanDerWaalsContact CG-CE1 3.44Å; Y34-F85 HydrophobicContact CG-CZ 4.04Å; W81-F85 HydrophobicContact CB-CE2 3.69Å; W81-F85 HydrophobicContact CB-CZ 3.56Å; W81-F85 AromaticContact CD2-CZ 3.84Å; W81-F85 HydrophobicContact CD2-CZ 3.84Å; W81-F85 HydrophobicContact CE3-CE2 4.15Å; W81-F85 AromaticContact CE3-CZ 3.6Å; W81-F85 HydrophobicContact CE3-CZ 3.6Å; W81-F85 HydrophobicContact CG-CE2 4.43Å; W81-F85 AromaticContact CG-CZ 3.87Å; W81-F85 HydrophobicContact CG-CZ 3.87Å; W81-F85 HydrophobicContact CZ3-CZ 4.44Å; R83-F85 PolarHBondContact O-N 3.26Å; R83-F85 VanDerWaalsContact O-N 3.14Å; F85-F104 AromaticContact CD2-CD1 3.73Å; F85-F104 HydrophobicContact CD2-CD1 3.73Å; F85-F104 AromaticContact CD2-CE1 3.64Å; F85-F104 HydrophobicContact CD2-CE1 3.64Å; F85-F104 HydrophobicContact CE2-CD1 4.28Å; F85-F104 AromaticContact CE2-CE1 3.71Å; F85-F104 HydrophobicContact CE2-CE1 3.71Å; F85-R106 WeakPolarHBondContact O-CD 3.49Å; F85-R106 VanDerWaalsContact O-CG 3.31Å; F85-R106 WeakPolarHBondContact O-CG 3.37Å; F85-R106 PolarHBondContact O-NE 3.39Å
86D97.2Very high95.1Very high74 Ų7434.8 Ų34.840%0.39616%0.161SC..SBendtrans-97.7-32.5173-55-53.7000111.1M1 R2M1-D86 WeakPolarHBondContact CA-OD2 3.27Å; M1-D86 HydrophobicContact CB-CB 3.95Å; M1-D86 WeakPolarHBondContact CB-OD2 3.38Å; M1-D86 HydrophobicContact CG-CB 4.15Å; M1-D86 HydrophobicContact SD-CB 4.2Å; R2-D86 PolarHBondContact N-OD2 3.29Å; R2-D86 PolarHBondContact O-N 3.48Å
87L97.6Very high95.2Very high6 Ų630.5 Ų30.53%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-141.6144.4-176.5178.466000110.8I3 L4 M89 K107 L424 I427I3-L87 WeakPolarHBondContact CA-O 3.27Å; I3-L87 HydrophobicContact CD1-CD2 4.47Å; I3-L87 HydrophobicContact CG1-CB 4.36Å; I3-L87 HydrophobicContact CG2-CD2 4.49Å; L4-L87 PolarHBondContact N-O 3.42Å; L87-M89 HydrophobicContact CD2-SD 3.6Å; L87-M89 VanDerWaalsContact CD2-SD 3.6Å; L87-M89 HydrophobicContact CG-SD 3.93Å; L87-K107 HydrophobicContact CD1-CB 4.3Å; L87-L424 HydrophobicContact CD2-CD2 3.72Å; L87-I427 HydrophobicContact CD1-CD1 3.84Å; L87-I427 HydrophobicContact CD1-CG2 4.16Å
88I97.8Very high95.2Very high0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-112.9129.7172.5-61.3174.2000109.4L4 L100 F104 R106 K107 I108 F109L4-I88 CarbonylContact O-C 3.47Å; L4-I88 WeakPolarHBondContact O-CA 3.29Å; I88-L100 HydrophobicContact CD1-CB 4.14Å; I88-L100 HydrophobicContact CD1-CD2 4.36Å; I88-L100 HydrophobicContact CG2-CD1 4.07Å; I88-L100 HydrophobicContact CG2-CD2 4.39Å; I88-F104 HydrophobicContact CD1-CB 3.54Å; I88-F104 HydrophobicContact CD1-CD2 3.85Å; I88-F104 HydrophobicContact CD1-CG 3.75Å; I88-R106 HydrophobicContact CD1-CB 4.35Å; I88-R106 HydrophobicContact CG1-CB 4.38Å; I88-K107 PolarHBondContact N-O 3.23Å; I88-I108 HydrophobicContact CB-CG1 4.24Å; I88-I108 WeakPolarHBondContact O-CA 3.48Å; I88-F109 PolarHBondContact O-N 2.96Å
89M97.6Very high95.2Very high3 Ų330.4 Ų30.42%0.01515%0.147CC..EExtended strand (participates in β ladder)trans-105122.4173.5-52.3-61.7-90.900108.2I3 L4 F5 C6 L26 L87 F109 F420 L424I3-M89 HydrophobicContact CG2-CG 3.41Å; I3-M89 VanDerWaalsContact CG2-CG 3.41Å; I3-M89 HydrophobicContact CG2-SD 4.3Å; L4-M89 PolarHBondContact O-N 3.02Å; F5-M89 CarbonylContact C-O 3.51Å; F5-M89 WeakPolarHBondContact CA-O 3.16Å; F5-M89 HydrophobicContact CD1-CB 3.53Å; F5-M89 HydrophobicContact CD1-CG 4.2Å; F5-M89 HydrophobicContact CD2-CB 4.08Å; F5-M89 HydrophobicContact CD2-CG 4.05Å; F5-M89 HydrophobicContact CE1-CB 3.58Å; F5-M89 HydrophobicContact CE1-CE 4.48Å; F5-M89 HydrophobicContact CE1-CG 3.9Å; F5-M89 HydrophobicContact CE2-CB 4.14Å; F5-M89 HydrophobicContact CE2-CG 3.74Å; F5-M89 HydrophobicContact CG-CB 3.8Å; F5-M89 HydrophobicContact CG-CG 4.29Å; F5-M89 HydrophobicContact CZ-CB 3.9Å; F5-M89 HydrophobicContact CZ-CE 4.16Å; F5-M89 HydrophobicContact CZ-CG 3.66Å; C6-M89 PolarHBondContact N-O 2.97Å; L26-M89 HydrophobicContact CD1-CE 4.23Å; L87-M89 HydrophobicContact CD2-SD 3.6Å; L87-M89 VanDerWaalsContact CD2-SD 3.6Å; L87-M89 HydrophobicContact CG-SD 3.93Å; M89-F109 HydrophobicContact CE-CB 4.2Å; M89-F109 HydrophobicContact CE-CD1 3.91Å; M89-F109 HydrophobicContact CE-CD2 4.48Å; M89-F109 HydrophobicContact CE-CE1 4.4Å; M89-F109 HydrophobicContact CE-CG 3.97Å; M89-F109 HydrophobicContact SD-CB 3.5Å; M89-F109 WeakPolarHBondContact SD-CB 2.93Å; M89-F109 HydrophobicContact SD-CD1 4.22Å; M89-F109 HydrophobicContact SD-CG 3.94Å; M89-F420 HydrophobicContact CE-CE2 3.53Å; M89-F420 HydrophobicContact CE-CZ 3.31Å; M89-L424 HydrophobicContact CE-CD2 4.14Å; M89-L424 HydrophobicContact SD-CD2 4.44Å
90L95.7Very high95.3Very high3 Ų323 Ų232%0.01611%0.114CC..EExtended strand (participates in β ladder)trans-124.3143.8-179.1-173.967.1000109.1C6 M70 A97 L100 I108 F109 Y110 Y111C6-L90 HydrophobicContact CB-CD1 3.98Å; M70-L90 HydrophobicContact CE-CD1 3.12Å; M70-L90 HydrophobicContact CE-CG 4.41Å; L90-A97 HydrophobicContact CD2-CB 3.8Å; L90-L100 HydrophobicContact CD1-CD1 3.82Å; L90-L100 HydrophobicContact CD2-CD1 4.25Å; L90-I108 HydrophobicContact CB-CG2 4.12Å; L90-I108 HydrophobicContact CD2-CG2 4.44Å; L90-F109 PolarHBondContact N-O 3.38Å; L90-Y110 HydrophobicContact CB-CD2 3.96Å; L90-Y110 HydrophobicContact CD2-CD2 3.94Å; L90-Y110 HydrophobicContact CD2-CE2 4.44Å; L90-Y110 HydrophobicContact CG-CD2 3.77Å; L90-Y110 HydrophobicContact CG-CE2 4.2Å; L90-Y110 CarbonylContact O-C 3.58Å; L90-Y110 VanDerWaalsContact O-CA 3.23Å; L90-Y110 WeakPolarHBondContact O-CA 3.22Å; L90-Y110 WeakPolarHBondContact O-CD2 3.49Å; L90-Y111 PolarHBondContact O-N 2.88Å
91D94.1Very high95.3Very high4 Ų420.7 Ų20.72%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-147.7177.3173.581-55.2000111.7H7 V19 S93 Y111 H113H7-D91 IonicContact CE1-OD1 2.78Å; H7-D91 IonicContact CE1-OD2 3.61Å; H7-D91 PolarHBondContact CE1-OD2 3.35Å; H7-D91 VanDerWaalsContact CE1-OD2 3.22Å; H7-D91 IonicContact CG-OD1 3.97Å; H7-D91 IonicContact ND1-OD1 2.62Å; H7-D91 PolarHBondContact ND1-OD1 3.11Å; H7-D91 IonicContact ND1-OD2 3.48Å; H7-D91 PolarHBondContact ND1-OD2 3.09Å; V19-D91 HydrophobicContact CG2-CB 4.28Å; V19-D91 WeakPolarHBondContact CG2-OD2 3.41Å; D91-S93 PolarHBondContact O-N 2.83Å; D91-Y111 WeakPolarHBondContact CA-O 3.39Å; D91-Y111 WeakPolarHBondContact CB-O 3.3Å; D91-H113 IonicContact OD2-CD2 3.93Å; D91-H113 IonicContact OD2-CE1 3.75Å; D91-H113 IonicContact OD2-NE2 3.5Å; D91-H113 PolarHBondContact OD2-NE2 3.06Å
92A85.3Confident95.2Very high10 Ų1025.3 Ų25.38%0.08313%0.13CC..SBendtrans62.9-47177.100000116.8P8 Y66P8-A92 HydrophobicContact CG-CB 3.73Å; Y66-A92 HydrophobicContact CD2-CB 4.33Å
93S89.5Confident95.3Very high0 Ų025.6 Ų25.60%013%0.127CC..  trans-140129.3174.7171.90000110Y66 D91 G95Y66-S93 VanDerWaalsContact O-CB 3.31Å; Y66-S93 WeakPolarHBondContact O-CB 3.31Å; Y66-S93 PolarHBondContact O-OG 3.27Å; D91-S93 PolarHBondContact O-N 2.83Å; S93-G95 PolarHBondContact O-N 3.4Å; S93-G95 PolarHBondContact OG-N 2.78Å
94P91.7Very high95.3Very high3 Ų320 Ų202%0.01911%0.106CC..G310 helixtrans-79.50.2176.634.2-32.1000112A96 A97 Y110 E138 C141 L142P94-A96 PolarHBondContact O-N 2.86Å; P94-A97 WeakPolarHBondContact O-CB 3.45Å; P94-A97 PolarHBondContact O-N 2.86Å; P94-Y110 HydrophobicContact CB-CD2 4.41Å; P94-Y110 HydrophobicContact CB-CE1 4.33Å; P94-Y110 HydrophobicContact CB-CE2 4.04Å; P94-Y110 WeakPolarHBondContact CD-OH 3.35Å; P94-E138 HydrophobicContact CG-CG 3.76Å; P94-C141 HydrophobicContact CB-CB 3.93Å; P94-C141 HydrophobicContact CG-CB 4.09Å; P94-C141 VanDerWaalsContact O-CB 3.32Å; P94-C141 WeakPolarHBondContact O-CB 3.34Å; P94-L142 HydrophobicContact CB-CD2 3.67Å; P94-L142 HydrophobicContact CB-CG 3.89Å; P94-L142 HydrophobicContact CG-CD2 4.04Å; P94-L142 HydrophobicContact CG-CG 3.91Å
95G91.1Very high95.3Very high5 Ų523.7 Ų23.75%0.05212%0.122CC..G310 helixtrans-51.7-33.5-169.900000115F67 S93F67-G95 VanDerWaalsContact CE2-CA 3.44Å; S93-G95 PolarHBondContact O-N 3.4Å; S93-G95 PolarHBondContact OG-N 2.78Å
96A94.4Very high95.2Very high0 Ų028.4 Ų28.40%014%0.14CC..G310 helixtrans-84.2-8.9178.300000115M70 L71 A74 P94 L99 L100M70-A96 HydrophobicContact CB-CB 3.89Å; M70-A96 WeakPolarHBondContact O-CB 3.39Å; L71-A96 HydrophobicContact CD2-CB 4.4Å; A74-A96 HydrophobicContact CB-CB 4.07Å; P94-A96 PolarHBondContact O-N 2.86Å; A96-L99 PolarHBondContact O-N 3.33Å; A96-L99 VanDerWaalsContact O-N 3.12Å; A96-L100 HydrophobicContact CB-CD1 3.82Å; A96-L100 HydrophobicContact CB-CG 4.17Å; A96-L100 WeakPolarHBondContact O-CB 3.47Å; A96-L100 VanDerWaalsContact O-CG 3.28Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 3.28Å
97A96Very high95.1Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-55.4-44.7-174.600000113.9L90 P94 L99 L100 K101 I108 C141L90-A97 HydrophobicContact CD2-CB 3.8Å; P94-A97 WeakPolarHBondContact O-CB 3.45Å; P94-A97 PolarHBondContact O-N 2.86Å; A97-L99 PolarHBondContact O-N 3.17Å; A97-L100 PolarHBondContact O-N 2.94Å; A97-K101 WeakPolarHBondContact O-CB 3.13Å; A97-K101 PolarHBondContact O-N 3.29Å; A97-I108 HydrophobicContact CB-CD1 4.25Å; A97-I108 WeakPolarHBondContact O-CD1 3.41Å; A97-C141 WeakPolarHBondContact CB-O 3.13Å
98P96.2Very high95.1Very high16 Ų1628.3 Ų28.310%0.10414%0.136CC..Hα-helixtrans-61.4-43.2176.5-21.833.3000112.7K101 L102 W140 C141 Y144P98-K101 PolarHBondContact O-N 3.5Å; P98-L102 WeakPolarHBondContact O-CB 3.25Å; P98-L102 PolarHBondContact O-N 3.05Å; P98-W140 HydrophobicContact CB-CH2 3.61Å; P98-W140 HydrophobicContact CB-CZ2 4.17Å; P98-W140 HydrophobicContact CB-CZ3 3.96Å; P98-W140 HydrophobicContact CG-CE3 3.91Å; P98-W140 HydrophobicContact CG-CH2 3.62Å; P98-W140 HydrophobicContact CG-CZ2 4.25Å; P98-W140 HydrophobicContact CG-CZ3 3.43Å; P98-W140 VanDerWaalsContact CG-CZ3 3.43Å; P98-C141 HydrophobicContact CG-CB 4.4Å; P98-Y144 HydrophobicContact CB-CD1 4.37Å; P98-Y144 HydrophobicContact CB-CD2 4.04Å; P98-Y144 HydrophobicContact CB-CE1 4.34Å; P98-Y144 HydrophobicContact CB-CE2 4.01Å; P98-Y144 HydrophobicContact CB-CG 4.23Å; P98-Y144 HydrophobicContact CG-CD2 3.75Å; P98-Y144 HydrophobicContact CG-CE2 3.98Å; P98-Y144 HydrophobicContact CG-CG 4.23Å
99L96.8Very high95Very high38 Ų3828.3 Ų28.320%0.19914%0.136CC..Hα-helixtrans-66.5-44.5178.6-178.363.6000111.3L71 A74 M75 A96 A97 K101 L102 L103L71-L99 HydrophobicContact CD2-CB 4.28Å; L71-L99 HydrophobicContact CD2-CD2 3.92Å; A74-L99 HydrophobicContact CB-CD2 4.12Å; M75-L99 HydrophobicContact CG-CD2 3.96Å; M75-L99 HydrophobicContact SD-CD1 4.16Å; M75-L99 HydrophobicContact SD-CD2 3.86Å; M75-L99 HydrophobicContact SD-CG 4.43Å; A96-L99 PolarHBondContact O-N 3.33Å; A96-L99 VanDerWaalsContact O-N 3.12Å; A97-L99 PolarHBondContact O-N 3.17Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.64Å; L99-L102 PolarHBondContact O-N 3.21Å; L99-L103 HydrophobicContact CD1-CD1 3.68Å; L99-L103 HydrophobicContact CD1-CD2 4.49Å; L99-L103 HydrophobicContact CD1-CG 3.89Å; L99-L103 HydrophobicContact CD2-CD1 4.38Å; L99-L103 HydrophobicContact CG-CD1 3.71Å; L99-L103 HydrophobicContact CG-CG 4.25Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 VanDerWaalsContact O-CG 3.27Å; L99-L103 WeakPolarHBondContact O-CG 3.27Å; L99-L103 PolarHBondContact O-N 3.11Å
100L97.4Very high94.9Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-61-43.3176.6-71.9165.7000111A74 I88 L90 A96 A97 L102 F104 I108A74-L100 HydrophobicContact CB-CD2 3.59Å; A74-L100 HydrophobicContact CB-CG 3.93Å; I88-L100 HydrophobicContact CD1-CB 4.14Å; I88-L100 HydrophobicContact CD1-CD2 4.36Å; I88-L100 HydrophobicContact CG2-CD1 4.07Å; I88-L100 HydrophobicContact CG2-CD2 4.39Å; L90-L100 HydrophobicContact CD1-CD1 3.82Å; L90-L100 HydrophobicContact CD2-CD1 4.25Å; A96-L100 HydrophobicContact CB-CD1 3.82Å; A96-L100 HydrophobicContact CB-CG 4.17Å; A96-L100 WeakPolarHBondContact O-CB 3.47Å; A96-L100 VanDerWaalsContact O-CG 3.28Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 3.28Å; A97-L100 PolarHBondContact O-N 2.94Å; L100-L102 PolarHBondContact O-N 3.14Å; L100-F104 HydrophobicContact CD2-CD2 3.91Å; L100-F104 HydrophobicContact CD2-CE2 3.67Å; L100-F104 WeakPolarHBondContact O-CB 2.85Å; L100-F104 WeakPolarHBondContact O-CD2 3.36Å; L100-F104 PolarHBondContact O-N 3.35Å; L100-I108 HydrophobicContact CB-CD1 4Å
101K96.5Very high94.9Very high55 Ų5528.1 Ų28.124%0.23914%0.135CC..Hα-helixtrans-62.3-44.3176.5-159.973.2160.7-174.50111.2A97 P98 L99 Q105 R106 I108 Y144 D146A97-K101 WeakPolarHBondContact O-CB 3.13Å; A97-K101 PolarHBondContact O-N 3.29Å; P98-K101 PolarHBondContact O-N 3.5Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.64Å; K101-Q105 VanDerWaalsContact O-CA 3.25Å; K101-Q105 WeakPolarHBondContact O-CA 3.5Å; K101-Q105 PolarHBondContact O-N 3.26Å; K101-R106 VanDerWaalsContact CD-O 3.25Å; K101-R106 WeakPolarHBondContact CD-O 3.37Å; K101-R106 PolarHBondContact NZ-O 3.13Å; K101-R106 VanDerWaalsContact NZ-O 3.15Å; K101-I108 HydrophobicContact CB-CD1 4.07Å; K101-I108 HydrophobicContact CD-CD1 4.09Å; K101-I108 HydrophobicContact CD-CG1 4.39Å; K101-Y144 HydrophobicContact CB-CD1 3.85Å; K101-Y144 HydrophobicContact CG-CD1 3.99Å; K101-D146 IonicContact NZ-OD1 2.98Å; K101-D146 PolarHBondContact NZ-OD1 3.02Å; K101-D146 IonicContact NZ-OD2 2.69Å; K101-D146 PolarHBondContact NZ-OD2 3.12Å
102L97Very high94.9Very high120 Ų12028 Ų2863%0.62813%0.134SC*.Hα-helixtrans-63.8-50.4178.3177.765.9000112.3P98 L99 L100P98-L102 WeakPolarHBondContact O-CB 3.25Å; P98-L102 PolarHBondContact O-N 3.05Å; L99-L102 PolarHBondContact O-N 3.21Å; L100-L102 PolarHBondContact O-N 3.14Å
103L97.2Very high95.2Very high23 Ų2329 Ų2912%0.1214%0.137CC..Hα-helixtrans-71.6-49.9-173.8-67.6178.5000111.2M75 W78 R83 L99M75-L103 HydrophobicContact SD-CD1 3.86Å; W78-L103 HydrophobicContact CB-CD1 3.78Å; W78-L103 HydrophobicContact CD2-CB 3.95Å; W78-L103 HydrophobicContact CD2-CD1 4.31Å; W78-L103 HydrophobicContact CD2-CD2 4.07Å; W78-L103 HydrophobicContact CD2-CG 4.33Å; W78-L103 HydrophobicContact CE3-CB 3.76Å; W78-L103 HydrophobicContact CG-CB 4.32Å; W78-L103 HydrophobicContact CG-CD1 3.82Å; W78-L103 HydrophobicContact CG-CD2 4.17Å; W78-L103 HydrophobicContact CG-CG 4.33Å; W78-L103 HydrophobicContact CZ3-CB 4.31Å; W78-L103 WeakPolarHBondContact CZ3-O 3.39Å; R83-L103 PolarHBondContact NE-O 2.97Å; R83-L103 PolarHBondContact NH2-O 2.79Å; L99-L103 HydrophobicContact CD1-CD1 3.68Å; L99-L103 HydrophobicContact CD1-CD2 4.49Å; L99-L103 HydrophobicContact CD1-CG 3.89Å; L99-L103 HydrophobicContact CD2-CD1 4.38Å; L99-L103 HydrophobicContact CG-CD1 3.71Å; L99-L103 HydrophobicContact CG-CG 4.25Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 VanDerWaalsContact O-CG 3.27Å; L99-L103 WeakPolarHBondContact O-CG 3.27Å; L99-L103 PolarHBondContact O-N 3.11Å
104F97.3Very high95.2Very high1 Ų129.4 Ų29.40%0.00414%0.139CC..Hα-helixtrans-95.4-23.2-170.5-64.1-89.1000114L4 A77 W78 G82 F85 I88 L100 R106L4-F104 HydrophobicContact CD2-CE1 3.98Å; L4-F104 HydrophobicContact CD2-CE2 4.31Å; L4-F104 HydrophobicContact CD2-CZ 3.8Å; A77-F104 HydrophobicContact CB-CZ 4.1Å; W78-F104 HydrophobicContact CB-CE2 4.22Å; W78-F104 HydrophobicContact CB-CZ 3.96Å; W78-F104 HydrophobicContact CE3-CD1 4.27Å; W78-F104 HydrophobicContact CE3-CE1 4.1Å; W78-F104 HydrophobicContact CE3-CE2 4.43Å; W78-F104 HydrophobicContact CE3-CZ 4.2Å; G82-F104 WeakPolarHBondContact O-CD1 3.3Å; G82-F104 WeakPolarHBondContact O-CE1 3.45Å; F85-F104 AromaticContact CD2-CD1 3.73Å; F85-F104 HydrophobicContact CD2-CD1 3.73Å; F85-F104 AromaticContact CD2-CE1 3.64Å; F85-F104 HydrophobicContact CD2-CE1 3.64Å; F85-F104 HydrophobicContact CE2-CD1 4.28Å; F85-F104 AromaticContact CE2-CE1 3.71Å; F85-F104 HydrophobicContact CE2-CE1 3.71Å; I88-F104 HydrophobicContact CD1-CB 3.54Å; I88-F104 HydrophobicContact CD1-CD2 3.85Å; I88-F104 HydrophobicContact CD1-CG 3.75Å; L100-F104 HydrophobicContact CD2-CD2 3.91Å; L100-F104 HydrophobicContact CD2-CE2 3.67Å; L100-F104 WeakPolarHBondContact O-CB 2.85Å; L100-F104 WeakPolarHBondContact O-CD2 3.36Å; L100-F104 PolarHBondContact O-N 3.35Å; F104-R106 VanDerWaalsContact C-N 3.29Å; F104-R106 HydrophobicContact CB-CG 4.43Å; F104-R106 PolarHBondContact O-N 3.34Å
105Q96.4Very high95.1Very high136 Ų13629.3 Ų29.364%0.63614%0.138SC*.  trans57.138.3-177.9-57.4179.9-5.800113.7K101K101-Q105 VanDerWaalsContact O-CA 3.25Å; K101-Q105 WeakPolarHBondContact O-CA 3.5Å; K101-Q105 PolarHBondContact O-N 3.26Å
106R96.1Very high94.6Very high100 Ų10030.3 Ų30.338%0.37714%0.14SC..  trans-118.2166.6-179.2-63.4-54.1-177.2-171.83.3112.8F85 I88 K101 F104F85-R106 WeakPolarHBondContact O-CD 3.49Å; F85-R106 VanDerWaalsContact O-CG 3.31Å; F85-R106 WeakPolarHBondContact O-CG 3.37Å; F85-R106 PolarHBondContact O-NE 3.39Å; I88-R106 HydrophobicContact CD1-CB 4.35Å; I88-R106 HydrophobicContact CG1-CB 4.38Å; K101-R106 VanDerWaalsContact CD-O 3.25Å; K101-R106 WeakPolarHBondContact CD-O 3.37Å; K101-R106 PolarHBondContact NZ-O 3.13Å; K101-R106 VanDerWaalsContact NZ-O 3.15Å; F104-R106 VanDerWaalsContact C-N 3.29Å; F104-R106 HydrophobicContact CB-CG 4.43Å; F104-R106 PolarHBondContact O-N 3.34Å
107K96.1Very high94Very high77 Ų7730.3 Ų30.334%0.33514%0.14SC..EExtended strand (participates in β ladder)trans-68.4145.8171.7-61.4-179-177.2172.40109.2L87 I88 D146 I427 D428L87-K107 HydrophobicContact CD1-CB 4.3Å; I88-K107 PolarHBondContact N-O 3.23Å; K107-D146 WeakPolarHBondContact CA-OD2 3.2Å; K107-D146 HydrophobicContact CB-CB 4.39Å; K107-I427 HydrophobicContact CB-CG2 3.56Å; K107-I427 HydrophobicContact CD-CG2 3.28Å; K107-I427 WeakPolarHBondContact CD-O 3.45Å; K107-I427 VanDerWaalsContact CE-O 3.29Å; K107-I427 WeakPolarHBondContact CE-O 3.29Å; K107-I427 HydrophobicContact CG-CG2 4.02Å; K107-I427 PolarHBondContact NZ-O 2.78Å; K107-D428 PolarHBondContact NZ-O 3.43Å
108I96.1Very high93.5Very high0 Ų032.2 Ų32.20%015%0.149CC..EExtended strand (participates in β ladder)trans-120.9118.4-177.5-59.5176.5000108.3I88 L90 A97 L100 K101 C145 D146 I147I88-I108 HydrophobicContact CB-CG1 4.24Å; I88-I108 WeakPolarHBondContact O-CA 3.48Å; L90-I108 HydrophobicContact CB-CG2 4.12Å; L90-I108 HydrophobicContact CD2-CG2 4.44Å; A97-I108 HydrophobicContact CB-CD1 4.25Å; A97-I108 WeakPolarHBondContact O-CD1 3.41Å; L100-I108 HydrophobicContact CB-CD1 4Å; K101-I108 HydrophobicContact CB-CD1 4.07Å; K101-I108 HydrophobicContact CD-CD1 4.09Å; K101-I108 HydrophobicContact CD-CG1 4.39Å; I108-C145 HydrophobicContact CG2-CB 4.45Å; I108-D146 PolarHBondContact N-OD2 3.03Å; I108-D146 PolarHBondContact O-N 3.22Å; I108-I147 PolarHBondContact O-N 2.96Å
109F96.5Very high92.7Very high1 Ų136.2 Ų36.20%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-90.5124.6164.2-176-75.2000108.2M22 I88 M89 L90 Y111 I147 S149 L174 F420 H423 L424 I427M22-F109 HydrophobicContact CE-CE1 4.19Å; I88-F109 PolarHBondContact O-N 2.96Å; M89-F109 HydrophobicContact CE-CB 4.2Å; M89-F109 HydrophobicContact CE-CD1 3.91Å; M89-F109 HydrophobicContact CE-CD2 4.48Å; M89-F109 HydrophobicContact CE-CE1 4.4Å; M89-F109 HydrophobicContact CE-CG 3.97Å; M89-F109 HydrophobicContact SD-CB 3.5Å; M89-F109 WeakPolarHBondContact SD-CB 2.93Å; M89-F109 HydrophobicContact SD-CD1 4.22Å; M89-F109 HydrophobicContact SD-CG 3.94Å; L90-F109 PolarHBondContact N-O 3.38Å; F109-Y111 HydrophobicContact CE1-CD2 4.43Å; F109-I147 HydrophobicContact CD2-CB 4.39Å; F109-I147 HydrophobicContact CD2-CG2 4.1Å; F109-I147 HydrophobicContact CE2-CG2 4.08Å; F109-S149 WeakPolarHBondContact CZ-OG 3.44Å; F109-L174 HydrophobicContact CZ-CD2 4.3Å; F109-F420 HydrophobicContact CE1-CE2 4.13Å; F109-F420 HydrophobicContact CE2-CD2 4.23Å; F109-F420 HydrophobicContact CE2-CE2 4.04Å; F109-F420 AromaticContact CZ-CD2 3.94Å; F109-F420 HydrophobicContact CZ-CD2 3.94Å; F109-F420 AromaticContact CZ-CE2 3.74Å; F109-F420 HydrophobicContact CZ-CE2 3.74Å; F109-H423 HydrophobicContact CE2-CB 3.86Å; F109-L424 HydrophobicContact CD2-CD2 3.92Å; F109-L424 HydrophobicContact CE2-CD2 4.34Å; F109-I427 HydrophobicContact CB-CD1 3.66Å; F109-I427 HydrophobicContact CD2-CD1 3.7Å; F109-I427 HydrophobicContact CG-CD1 4.17Å
110Y95.6Very high91.8Very high0 Ų035.2 Ų35.20%016%0.162CC..EExtended strand (participates in β ladder)trans-110.8125.7175.6-179.8-113.8000111.8L90 P94 C112 L142 I147 V148 S149L90-Y110 HydrophobicContact CB-CD2 3.96Å; L90-Y110 HydrophobicContact CD2-CD2 3.94Å; L90-Y110 HydrophobicContact CD2-CE2 4.44Å; L90-Y110 HydrophobicContact CG-CD2 3.77Å; L90-Y110 HydrophobicContact CG-CE2 4.2Å; L90-Y110 CarbonylContact O-C 3.58Å; L90-Y110 VanDerWaalsContact O-CA 3.23Å; L90-Y110 WeakPolarHBondContact O-CA 3.22Å; L90-Y110 WeakPolarHBondContact O-CD2 3.49Å; P94-Y110 HydrophobicContact CB-CD2 4.41Å; P94-Y110 HydrophobicContact CB-CE1 4.33Å; P94-Y110 HydrophobicContact CB-CE2 4.04Å; P94-Y110 WeakPolarHBondContact CD-OH 3.35Å; Y110-C112 HydrophobicContact CD1-CB 4.08Å; Y110-C112 HydrophobicContact CE1-CB 3.54Å; Y110-L142 HydrophobicContact CD1-CD2 3.28Å; Y110-L142 HydrophobicContact CE1-CD2 3.43Å; Y110-L142 VanDerWaalsContact CE1-CD2 3.43Å; Y110-L142 HydrophobicContact CG-CD2 4.1Å; Y110-I147 PolarHBondContact N-O 3.28Å; Y110-V148 HydrophobicContact CD1-CG1 4Å; Y110-V148 HydrophobicContact CD1-CG2 4.29Å; Y110-V148 CarbonylContact O-C 3.5Å; Y110-V148 WeakPolarHBondContact O-CA 3.11Å; Y110-S149 PolarHBondContact O-N 3.26Å
111Y95.7Very high90.7Very high2 Ų239.1 Ų39.11%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-99.9106.7170.6-166.5-95.8000111.1V18 M22 L90 D91 F109 H113 N151 L174 P176V18-Y111 HydrophobicContact CB-CE1 4.37Å; V18-Y111 HydrophobicContact CG1-CD1 4.23Å; V18-Y111 HydrophobicContact CG1-CE1 3.67Å; V18-Y111 HydrophobicContact CG1-CE2 4.22Å; M22-Y111 HydrophobicContact CE-CD2 3.23Å; M22-Y111 HydrophobicContact CE-CE2 3.68Å; M22-Y111 HydrophobicContact CE-CG 3.7Å; L90-Y111 PolarHBondContact O-N 2.88Å; D91-Y111 WeakPolarHBondContact CA-O 3.39Å; D91-Y111 WeakPolarHBondContact CB-O 3.3Å; F109-Y111 HydrophobicContact CE1-CD2 4.43Å; Y111-H113 AromaticContact CD1-CE1 3.5Å; Y111-H113 VanDerWaalsContact CD1-CE1 3.5Å; Y111-H113 WeakPolarHBondContact CD1-CE1 3.39Å; Y111-H113 AromaticContact CD1-ND1 3.72Å; Y111-H113 AromaticContact CD1-NE2 3.86Å; Y111-H113 AromaticContact CE1-CE1 3.55Å; Y111-H113 AromaticContact CE1-ND1 3.47Å; Y111-H113 WeakPolarHBondContact CE1-ND1 3.25Å; Y111-H113 PolarHBondContact O-N 3.01Å; Y111-N151 HydrophobicContact CE1-CB 4.12Å; Y111-N151 WeakPolarHBondContact OH-CA 3.48Å; Y111-N151 VanDerWaalsContact OH-CB 3.27Å; Y111-N151 WeakPolarHBondContact OH-CB 3.47Å; Y111-L174 HydrophobicContact CD2-CD2 4.11Å; Y111-L174 HydrophobicContact CE2-CB 3.96Å; Y111-L174 HydrophobicContact CE2-CD2 3.83Å; Y111-L174 HydrophobicContact CE2-CG 3.93Å; Y111-L174 WeakPolarHBondContact CE2-O 3.49Å; Y111-L174 PolarHBondContact OH-O 2.87Å; Y111-P176 WeakPolarHBondContact OH-CD 2.97Å; Y111-P176 WeakPolarHBondContact OH-CG 3.15Å
112C94Very high89.5Confident1 Ų145 Ų451%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-86.3104.1178.7-172.90000110.7Y110 V148 S149 T150 N151Y110-C112 HydrophobicContact CD1-CB 4.08Å; Y110-C112 HydrophobicContact CE1-CB 3.54Å; C112-V148 HydrophobicContact CB-CG1 4.2Å; C112-S149 WeakPolarHBondContact CB-O 3.33Å; C112-S149 PolarHBondContact N-O 3.38Å; C112-T150 HydrophobicContact CB-CG2 4.08Å; C112-N151 PolarHBondContact O-N 3.39Å
113H92Very high88.7Confident30 Ų3044.2 Ų44.214%0.13922%0.217CC..SBendtrans-69.3-43.9169.5-62.1-73.7000111.2G15 D91 Y111 N151G15-H113 WeakPolarHBondContact CA-CE1 3.42Å; G15-H113 PolarHBondContact O-CE1 2.9Å; D91-H113 IonicContact OD2-CD2 3.93Å; D91-H113 IonicContact OD2-CE1 3.75Å; D91-H113 IonicContact OD2-NE2 3.5Å; D91-H113 PolarHBondContact OD2-NE2 3.06Å; Y111-H113 AromaticContact CD1-CE1 3.5Å; Y111-H113 VanDerWaalsContact CD1-CE1 3.5Å; Y111-H113 WeakPolarHBondContact CD1-CE1 3.39Å; Y111-H113 AromaticContact CD1-ND1 3.72Å; Y111-H113 AromaticContact CD1-NE2 3.86Å; Y111-H113 AromaticContact CE1-CE1 3.55Å; Y111-H113 AromaticContact CE1-ND1 3.47Å; Y111-H113 WeakPolarHBondContact CE1-ND1 3.25Å; Y111-H113 PolarHBondContact O-N 3.01Å; H113-N151 PolarHBondContact O-ND2 3.47Å; H113-N151 PolarHBondContact O-OD1 2.81Å; H113-N151 VanDerWaalsContact O-OD1 3.11Å
114F90.1Very high88.1Confident10 Ų1045.7 Ų45.74%0.04424%0.238CC..SBendtrans-167.8151.8168.9-163.1-121.9000108.3Y116 F118 M119 Y154 T155 V158 H338F114-Y116 PolarHBondContact O-N 3.49Å; F114-F118 HydrophobicContact CD1-CB 3.92Å; F114-F118 HydrophobicContact CE1-CB 3.31Å; F114-F118 HydrophobicContact CE1-CD2 4.22Å; F114-F118 HydrophobicContact CE1-CG 4.03Å; F114-F118 HydrophobicContact CZ-CB 4.14Å; F114-F118 HydrophobicContact CZ-CD2 4.42Å; F114-F118 HydrophobicContact CZ-CG 4.44Å; F114-M119 HydrophobicContact CD1-CG 4.34Å; F114-Y154 HydrophobicContact CD2-CE1 4.49Å; F114-Y154 HydrophobicContact CE2-CD1 4.18Å; F114-Y154 AromaticContact CE2-CE1 3.52Å; F114-Y154 HydrophobicContact CE2-CE1 3.52Å; F114-Y154 HydrophobicContact CZ-CE1 4Å; F114-T155 HydrophobicContact CD2-CG2 4.21Å; F114-V158 HydrophobicContact CE2-CB 4.35Å; F114-V158 HydrophobicContact CE2-CG1 4.24Å; F114-V158 HydrophobicContact CE2-CG2 4.14Å; F114-V158 HydrophobicContact CZ-CG1 4.31Å; F114-V158 HydrophobicContact CZ-CG2 4.49Å; F114-H338 HydrophobicContact CB-CB 4.33Å; F114-H338 VanDerWaalsContact CB-ND1 3.29Å; F114-H338 WeakPolarHBondContact CB-ND1 3.48Å; F114-H338 AromaticContact CD1-CD2 3.79Å; F114-H338 AromaticContact CD1-CE1 3.11Å; F114-H338 WeakPolarHBondContact CD1-CE1 3.35Å; F114-H338 AromaticContact CD1-CG 3.93Å; F114-H338 AromaticContact CD1-ND1 3.54Å; F114-H338 AromaticContact CD1-NE2 3.28Å; F114-H338 VanDerWaalsContact CD1-NE2 3.28Å; F114-H338 WeakPolarHBondContact CD1-NE2 3.4Å; F114-H338 HydrophobicContact CD2-CB 3.76Å; F114-H338 AromaticContact CD2-CD2 3.52Å; F114-H338 AromaticContact CD2-CG 3.35Å; F114-H338 AromaticContact CD2-ND1 3.7Å; F114-H338 AromaticContact CD2-NE2 3.94Å; F114-H338 AromaticContact CE1-CD2 3.65Å; F114-H338 AromaticContact CE1-CE1 3.52Å; F114-H338 AromaticContact CE1-NE2 3.14Å; F114-H338 WeakPolarHBondContact CE1-NE2 3.23Å; F114-H338 HydrophobicContact CE2-CB 4.32Å; F114-H338 AromaticContact CE2-CD2 3.46Å; F114-H338 VanDerWaalsContact CE2-CD2 3.46Å; F114-H338 WeakPolarHBondContact CE2-CD2 3.36Å; F114-H338 AromaticContact CE2-CG 3.8Å; F114-H338 AromaticContact CE2-NE2 3.9Å; F114-H338 HydrophobicContact CG-CB 4.18Å; F114-H338 AromaticContact CG-CD2 3.7Å; F114-H338 AromaticContact CG-CE1 3.37Å; F114-H338 WeakPolarHBondContact CG-CE1 3.44Å; F114-H338 AromaticContact CG-CG 3.43Å; F114-H338 VanDerWaalsContact CG-CG 3.43Å; F114-H338 AromaticContact CG-ND1 3.23Å; F114-H338 WeakPolarHBondContact CG-ND1 3.41Å; F114-H338 AromaticContact CG-NE2 3.66Å; F114-H338 AromaticContact CZ-CD2 3.51Å; F114-H338 AromaticContact CZ-NE2 3.5Å; F114-H338 WeakPolarHBondContact CZ-NE2 3.28Å
115P87.9Confident87.4Confident0 Ų052.4 Ų52.40%027%0.273CS..  trans-64.7129.1180-18.131.2000110.9Q117 F118 E138 V158 V159 L163P115-Q117 PolarHBondContact O-N 3.19Å; P115-F118 HydrophobicContact CB-CD2 3.86Å; P115-F118 HydrophobicContact CB-CE2 4.22Å; P115-F118 HydrophobicContact CG-CD2 4.13Å; P115-F118 HydrophobicContact CG-CE2 4.37Å; P115-F118 PolarHBondContact O-N 2.84Å; P115-E138 WeakPolarHBondContact CA-OE1 3.48Å; P115-E138 WeakPolarHBondContact CB-OE1 3.33Å; P115-V158 HydrophobicContact CG-CG1 3.98Å; P115-V159 HydrophobicContact CG-CG2 3.85Å; P115-L163 HydrophobicContact CB-CD1 4.4Å; P115-L163 HydrophobicContact CG-CD1 4.48Å
116Y82.2Confident86.8Confident27 Ų2748.3 Ų48.311%0.10627%0.267CS..G310 helixtrans-57.6-36.6-171.6-178-106.9000111.8Y66 F67 F114 F118 M119 L120 M134 E138Y66-Y116 HydrophobicContact CD2-CE2 4.32Å; Y66-Y116 HydrophobicContact CG-CE2 4.46Å; F67-Y116 HydrophobicContact CB-CE1 4.2Å; F114-Y116 PolarHBondContact O-N 3.49Å; Y116-F118 PolarHBondContact O-N 3.25Å; Y116-F118 VanDerWaalsContact O-N 3.1Å; Y116-M119 WeakPolarHBondContact O-CB 3.42Å; Y116-M119 PolarHBondContact O-N 3.47Å; Y116-L120 HydrophobicContact CE1-CD2 3.94Å; Y116-M134 HydrophobicContact CE1-SD 4.39Å; Y116-E138 PolarHBondContact N-OE1 2.77Å; Y116-E138 PolarHBondContact N-OE2 3.37Å
117Q81.7Confident86.3Confident0 Ų044.2 Ų44.20%026%0.255CS..G310 helixtrans-55.4-33178.473-169-93.800113.1P115 M119 L120 F131 M134 R135 E138P115-Q117 PolarHBondContact O-N 3.19Å; Q117-M119 VanDerWaalsContact C-N 3.32Å; Q117-L120 WeakPolarHBondContact O-CB 2.97Å; Q117-L120 PolarHBondContact O-N 2.86Å; Q117-F131 HydrophobicContact CB-CD2 4.28Å; Q117-F131 HydrophobicContact CB-CE2 4.15Å; Q117-F131 HydrophobicContact CG-CE2 3.92Å; Q117-F131 HydrophobicContact CG-CZ 4.44Å; Q117-F131 VanDerWaalsContact O-CD2 3.24Å; Q117-F131 WeakPolarHBondContact O-CD2 3.38Å; Q117-M134 HydrophobicContact CB-CB 4.26Å; Q117-R135 VanDerWaalsContact OE1-CG 3.26Å; Q117-E138 WeakPolarHBondContact CB-OE2 3.3Å; Q117-E138 WeakPolarHBondContact CG-OE2 3.41Å; Q117-E138 PolarHBondContact N-OE2 3.08Å; Q117-E138 PolarHBondContact NE2-OE2 2.93Å
118F84.8Confident85.7Confident40 Ų4046.7 Ų46.718%0.17527%0.266CS..G310 helixtrans-84.3-8.5-178.4-65.1-68.6000113.8F114 P115 Y116 F131 V158 H162F114-F118 HydrophobicContact CD1-CB 3.92Å; F114-F118 HydrophobicContact CE1-CB 3.31Å; F114-F118 HydrophobicContact CE1-CD2 4.22Å; F114-F118 HydrophobicContact CE1-CG 4.03Å; F114-F118 HydrophobicContact CZ-CB 4.14Å; F114-F118 HydrophobicContact CZ-CD2 4.42Å; F114-F118 HydrophobicContact CZ-CG 4.44Å; P115-F118 HydrophobicContact CB-CD2 3.86Å; P115-F118 HydrophobicContact CB-CE2 4.22Å; P115-F118 HydrophobicContact CG-CD2 4.13Å; P115-F118 HydrophobicContact CG-CE2 4.37Å; P115-F118 PolarHBondContact O-N 2.84Å; Y116-F118 PolarHBondContact O-N 3.25Å; Y116-F118 VanDerWaalsContact O-N 3.1Å; F118-F131 AromaticContact CD1-CE2 3.72Å; F118-F131 HydrophobicContact CD1-CE2 3.72Å; F118-F131 HydrophobicContact CD1-CZ 4.16Å; F118-F131 AromaticContact CE1-CE2 3.73Å; F118-F131 HydrophobicContact CE1-CE2 3.73Å; F118-F131 AromaticContact CE1-CZ 3.68Å; F118-F131 HydrophobicContact CE1-CZ 3.68Å; F118-F131 HydrophobicContact CG-CE2 4.46Å; F118-F131 HydrophobicContact CZ-CE2 4.48Å; F118-F131 HydrophobicContact CZ-CZ 4.27Å; F118-V158 HydrophobicContact CD2-CG1 3.74Å; F118-V158 HydrophobicContact CE2-CG1 3.37Å; F118-V158 HydrophobicContact CZ-CG1 4.11Å; F118-H162 HydrophobicContact CE2-CB 4.19Å; F118-H162 AromaticContact CE2-ND1 3.88Å; F118-H162 HydrophobicContact CZ-CB 4.04Å; F118-H162 AromaticContact CZ-CD2 3.71Å; F118-H162 AromaticContact CZ-CE1 3.74Å; F118-H162 AromaticContact CZ-CG 3.52Å; F118-H162 AromaticContact CZ-ND1 3.56Å; F118-H162 AromaticContact CZ-NE2 3.87Å
119M79.9Confident85.1Confident100 Ų10051.2 Ų51.249%0.49329%0.289SS..G310 helixtrans-86.7-12.2172.8-59.3-176.560.900112.2Y66 F114 Y116 Q117Y66-M119 HydrophobicContact CE2-CE 4.42Å; F114-M119 HydrophobicContact CD1-CG 4.34Å; Y116-M119 WeakPolarHBondContact O-CB 3.42Å; Y116-M119 PolarHBondContact O-N 3.47Å; Q117-M119 VanDerWaalsContact C-N 3.32Å
120L78.1Confident84.5Confident17 Ų1754.2 Ų54.29%0.08930%0.304CS..SBendtrans-71.2154.2178.3-62.5170.8000111.5Y116 Q117 K122 M130 M134Y116-L120 HydrophobicContact CE1-CD2 3.94Å; Q117-L120 WeakPolarHBondContact O-CB 2.97Å; Q117-L120 PolarHBondContact O-N 2.86Å; L120-K122 PolarHBondContact O-N 2.92Å; L120-M130 HydrophobicContact CB-CE 3.98Å; L120-M130 HydrophobicContact CD1-CE 4.36Å; L120-M130 HydrophobicContact CD1-CG 4.19Å; L120-M130 HydrophobicContact CD2-CE 3.89Å; L120-M130 HydrophobicContact CD2-SD 4.19Å; L120-M130 HydrophobicContact CG-CE 4.28Å; L120-M134 HydrophobicContact CD1-CB 3.59Å; L120-M134 HydrophobicContact CD1-CG 3.51Å
121P74.5Confident84Confident81 Ų8156.8 Ų56.853%0.52632%0.315SS..  trans-46.3141.3170.8-27.833.8000112.1A127 M130P121-A127 HydrophobicContact CB-CB 4.08Å; P121-A127 WeakPolarHBondContact O-CB 3.16Å; P121-M130 HydrophobicContact CG-CE 4.3Å
122K71.1Confident83.4Confident180 Ų18058.7 Ų58.778%0.78333%0.327SS*.  trans-106.3-4.7-173.8-64.4179.6-178.2169.80114.2L120L120-K122 PolarHBondContact O-N 2.92Å
123S78.5Confident83Confident102 Ų10263.9 Ų63.971%0.71335%0.351SS*.SBendtrans-119.4136.1-17253.40000112.6A127S123-A127 WeakPolarHBondContact O-CB 3.29Å
124G85.6Confident82.8Confident55 Ų5563.8 Ų63.857%0.56735%0.351SS*.SBendtrans95.4158.8-179.400000113.9A127 F128G124-A127 PolarHBondContact O-N 2.91Å; G124-F128 PolarHBondContact O-N 2.91Å; G124-F128 VanDerWaalsContact O-N 3.09Å
125I83.6Confident82.5Confident141 Ų14168.6 Ų68.672%0.72337%0.369SS*.Hα-helixtrans-64.7-42.1-176.2-63.2167.5000111.1A127 F128 L129I125-A127 VanDerWaalsContact C-N 3.33Å; I125-A127 PolarHBondContact O-N 3.11Å; I125-F128 WeakPolarHBondContact O-CB 3.07Å; I125-F128 PolarHBondContact O-N 3.08Å; I125-L129 HydrophobicContact CG2-CD1 4.21Å; I125-L129 HydrophobicContact CG2-CG 4.47Å; I125-L129 WeakPolarHBondContact O-CG 3.45Å; I125-L129 PolarHBondContact O-N 3.24Å
126G83.7Confident82.4Confident51 Ų5173.9 Ų73.953%0.52640%0.396SS..Hα-helixtrans-62.7-39.1177.800000112.9L129 M130G126-L129 PolarHBondContact O-N 3.04Å; G126-M130 WeakPolarHBondContact O-CB 3.46Å; G126-M130 PolarHBondContact O-N 2.94Å
127A84.3Confident82.7Confident13 Ų1375.2 Ų75.211%0.10741%0.405CS..Hα-helixtrans-65.6-40175.500000111.9P121 S123 G124 I125 M130 F131P121-A127 HydrophobicContact CB-CB 4.08Å; P121-A127 WeakPolarHBondContact O-CB 3.16Å; S123-A127 WeakPolarHBondContact O-CB 3.29Å; G124-A127 PolarHBondContact O-N 2.91Å; I125-A127 VanDerWaalsContact C-N 3.33Å; I125-A127 PolarHBondContact O-N 3.11Å; A127-M130 PolarHBondContact O-N 3.47Å; A127-F131 WeakPolarHBondContact O-CB 3.43Å; A127-F131 PolarHBondContact O-N 2.92Å
128F83.3Confident83.1Confident130 Ų13075.5 Ų75.557%0.5741%0.406SS*.Hα-helixtrans-64-43.7174.1178.1-98.9000112.6G124 I125 F131 V132G124-F128 PolarHBondContact O-N 2.91Å; G124-F128 VanDerWaalsContact O-N 3.09Å; I125-F128 WeakPolarHBondContact O-CB 3.07Å; I125-F128 PolarHBondContact O-N 3.08Å; F128-F131 WeakPolarHBondContact O-CB 3.37Å; F128-F131 PolarHBondContact O-N 3.37Å; F128-V132 HydrophobicContact CD1-CG2 4.43Å; F128-V132 HydrophobicContact CE1-CG2 3.97Å; F128-V132 HydrophobicContact CE2-CG2 4.27Å; F128-V132 HydrophobicContact CZ-CG2 3.89Å; F128-V132 WeakPolarHBondContact O-CG2 3.32Å; F128-V132 PolarHBondContact O-N 2.83Å
129L84.2Confident83.3Confident94 Ų9474.7 Ų74.749%0.49241%0.407SS..Hα-helixtrans-60.7-49.1175.9-71.7172.1000111I125 G126 F131 V132 E133I125-L129 HydrophobicContact CG2-CD1 4.21Å; I125-L129 HydrophobicContact CG2-CG 4.47Å; I125-L129 WeakPolarHBondContact O-CG 3.45Å; I125-L129 PolarHBondContact O-N 3.24Å; G126-L129 PolarHBondContact O-N 3.04Å; L129-F131 VanDerWaalsContact C-N 3.28Å; L129-F131 PolarHBondContact O-N 3.33Å; L129-V132 PolarHBondContact O-N 2.91Å; L129-V132 VanDerWaalsContact O-N 3.09Å; L129-E133 WeakPolarHBondContact O-CG 3.45Å; L129-E133 PolarHBondContact O-N 3.49Å
130M84.1Confident83.8Confident65 Ų6576.3 Ų76.332%0.3241%0.408SS..Hα-helixtrans-59.7-38.6176.8-171.9179.954.200111.9L120 P121 G126 A127 M134L120-M130 HydrophobicContact CB-CE 3.98Å; L120-M130 HydrophobicContact CD1-CE 4.36Å; L120-M130 HydrophobicContact CD1-CG 4.19Å; L120-M130 HydrophobicContact CD2-CE 3.89Å; L120-M130 HydrophobicContact CD2-SD 4.19Å; L120-M130 HydrophobicContact CG-CE 4.28Å; P121-M130 HydrophobicContact CG-CE 4.3Å; G126-M130 WeakPolarHBondContact O-CB 3.46Å; G126-M130 PolarHBondContact O-N 2.94Å; A127-M130 PolarHBondContact O-N 3.47Å; M130-M134 HydrophobicContact CG-CG 4.25Å; M130-M134 VanDerWaalsContact O-CB 3.22Å; M130-M134 WeakPolarHBondContact O-CB 3.44Å; M130-M134 WeakPolarHBondContact O-CG 3.49Å; M130-M134 PolarHBondContact O-N 2.74Å
131F84.2Confident84.5Confident53 Ų5375.5 Ų75.523%0.23240%0.403CS..Hα-helixtrans-60.5-46.3173.9175.5-91.9000112Q117 F118 A127 F128 L129 R135Q117-F131 HydrophobicContact CB-CD2 4.28Å; Q117-F131 HydrophobicContact CB-CE2 4.15Å; Q117-F131 HydrophobicContact CG-CE2 3.92Å; Q117-F131 HydrophobicContact CG-CZ 4.44Å; Q117-F131 VanDerWaalsContact O-CD2 3.24Å; Q117-F131 WeakPolarHBondContact O-CD2 3.38Å; F118-F131 AromaticContact CD1-CE2 3.72Å; F118-F131 HydrophobicContact CD1-CE2 3.72Å; F118-F131 HydrophobicContact CD1-CZ 4.16Å; F118-F131 AromaticContact CE1-CE2 3.73Å; F118-F131 HydrophobicContact CE1-CE2 3.73Å; F118-F131 AromaticContact CE1-CZ 3.68Å; F118-F131 HydrophobicContact CE1-CZ 3.68Å; F118-F131 HydrophobicContact CG-CE2 4.46Å; F118-F131 HydrophobicContact CZ-CE2 4.48Å; F118-F131 HydrophobicContact CZ-CZ 4.27Å; A127-F131 WeakPolarHBondContact O-CB 3.43Å; A127-F131 PolarHBondContact O-N 2.92Å; F128-F131 WeakPolarHBondContact O-CB 3.37Å; F128-F131 PolarHBondContact O-N 3.37Å; L129-F131 VanDerWaalsContact C-N 3.28Å; L129-F131 PolarHBondContact O-N 3.33Å; F131-R135 WeakPolarHBondContact O-CB 3.26Å; F131-R135 PolarHBondContact O-N 3.28Å
132V83.7Confident85.3Confident43 Ų4371.7 Ų71.726%0.26138%0.379SS..Hα-helixtrans-65.3-44.2179.3172.80000111.4F128 L129 R135 I136F128-V132 HydrophobicContact CD1-CG2 4.43Å; F128-V132 HydrophobicContact CE1-CG2 3.97Å; F128-V132 HydrophobicContact CE2-CG2 4.27Å; F128-V132 HydrophobicContact CZ-CG2 3.89Å; F128-V132 WeakPolarHBondContact O-CG2 3.32Å; F128-V132 PolarHBondContact O-N 2.83Å; L129-V132 PolarHBondContact O-N 2.91Å; L129-V132 VanDerWaalsContact O-N 3.09Å; V132-R135 WeakPolarHBondContact O-CB 3.42Å; V132-R135 PolarHBondContact O-N 3.42Å; V132-I136 PolarHBondContact O-N 3.49Å
133E85.1Confident86.2Confident110 Ų11067 Ų6751%0.51437%0.368SS..Hα-helixtrans-61.2-49.5176.2-71.9174.517700111.2L129 R135 I136 I137L129-E133 WeakPolarHBondContact O-CG 3.45Å; L129-E133 PolarHBondContact O-N 3.49Å; E133-R135 VanDerWaalsContact C-N 3.27Å; E133-R135 PolarHBondContact O-N 3.33Å; E133-I136 PolarHBondContact O-N 2.91Å; E133-I136 VanDerWaalsContact O-N 3.08Å; E133-I137 WeakPolarHBondContact O-CG1 3.04Å; E133-I137 PolarHBondContact O-N 2.99Å
134M87.2Confident86.9Confident28 Ų2866 Ų6614%0.13835%0.35CS..Hα-helixtrans-65.6-30.1-179.7-71.7-63.8125.800112.3F67 Y116 Q117 L120 M130 I136 I137 E138F67-M134 HydrophobicContact CD2-SD 4.45Å; Y116-M134 HydrophobicContact CE1-SD 4.39Å; Q117-M134 HydrophobicContact CB-CB 4.26Å; L120-M134 HydrophobicContact CD1-CB 3.59Å; L120-M134 HydrophobicContact CD1-CG 3.51Å; M130-M134 HydrophobicContact CG-CG 4.25Å; M130-M134 VanDerWaalsContact O-CB 3.22Å; M130-M134 WeakPolarHBondContact O-CB 3.44Å; M130-M134 WeakPolarHBondContact O-CG 3.49Å; M130-M134 PolarHBondContact O-N 2.74Å; M134-I136 VanDerWaalsContact C-N 3.3Å; M134-I136 PolarHBondContact O-N 3.25Å; M134-I137 HydrophobicContact CE-CD1 3.5Å; M134-I137 VanDerWaalsContact CE-CD1 3.5Å; M134-I137 PolarHBondContact O-N 3.27Å; M134-I137 HydrophobicContact SD-CD1 4.49Å; M134-E138 WeakPolarHBondContact O-CA 3.29Å; M134-E138 WeakPolarHBondContact O-CB 3.28Å; M134-E138 PolarHBondContact O-N 3.06Å
135R84.6Confident87.3Confident110 Ų11063.8 Ų63.842%0.41533%0.325SS..Hα-helixtrans-59.9-41.1171.9-177.7177.369.1168.72.9112.4Q117 F131 V132 E133 A139Q117-R135 VanDerWaalsContact OE1-CG 3.26Å; F131-R135 WeakPolarHBondContact O-CB 3.26Å; F131-R135 PolarHBondContact O-N 3.28Å; V132-R135 WeakPolarHBondContact O-CB 3.42Å; V132-R135 PolarHBondContact O-N 3.42Å; E133-R135 VanDerWaalsContact C-N 3.27Å; E133-R135 PolarHBondContact O-N 3.33Å; R135-A139 WeakPolarHBondContact O-CB 3.41Å; R135-A139 PolarHBondContact O-N 3.38Å
136I85.9Confident87.7Confident112 Ų11260 Ų6057%0.57431%0.307SS*.Hα-helixtrans-72.4-48.3179.1-62.4170.6000109.8V132 E133 M134 A139 W140V132-I136 PolarHBondContact O-N 3.49Å; E133-I136 PolarHBondContact O-N 2.91Å; E133-I136 VanDerWaalsContact O-N 3.08Å; M134-I136 VanDerWaalsContact C-N 3.3Å; M134-I136 PolarHBondContact O-N 3.25Å; I136-A139 PolarHBondContact O-N 3.33Å; I136-W140 WeakPolarHBondContact O-CB 3.39Å; I136-W140 PolarHBondContact O-N 2.99Å
137I88.9Confident88.2Confident54 Ų5457.9 Ų57.928%0.27728%0.283SS..Hα-helixtrans-63.6-45.8-177.9-69.9164.8000110.9F67 E133 M134 A139 W140 C141F67-I137 HydrophobicContact CE2-CG2 3.51Å; F67-I137 HydrophobicContact CZ-CG2 3.57Å; E133-I137 WeakPolarHBondContact O-CG1 3.04Å; E133-I137 PolarHBondContact O-N 2.99Å; M134-I137 HydrophobicContact CE-CD1 3.5Å; M134-I137 VanDerWaalsContact CE-CD1 3.5Å; M134-I137 PolarHBondContact O-N 3.27Å; M134-I137 HydrophobicContact SD-CD1 4.49Å; I137-A139 PolarHBondContact O-N 2.98Å; I137-W140 PolarHBondContact O-N 3.43Å; I137-C141 WeakPolarHBondContact O-CB 3.42Å; I137-C141 PolarHBondContact O-N 3.37Å; I137-C141 PolarHBondContact O-SG 3.04Å
138E89.3Confident88.6Confident6 Ų657.3 Ų57.33%0.02828%0.278CS..Hα-helixtrans-61.5-45.6179-175.9173-153.800111.5P94 P115 Y116 Q117 M134 W140 C141 L142 L163P94-E138 HydrophobicContact CG-CG 3.76Å; P115-E138 WeakPolarHBondContact CA-OE1 3.48Å; P115-E138 WeakPolarHBondContact CB-OE1 3.33Å; Y116-E138 PolarHBondContact N-OE1 2.77Å; Y116-E138 PolarHBondContact N-OE2 3.37Å; Q117-E138 WeakPolarHBondContact CB-OE2 3.3Å; Q117-E138 WeakPolarHBondContact CG-OE2 3.41Å; Q117-E138 PolarHBondContact N-OE2 3.08Å; Q117-E138 PolarHBondContact NE2-OE2 2.93Å; M134-E138 WeakPolarHBondContact O-CA 3.29Å; M134-E138 WeakPolarHBondContact O-CB 3.28Å; M134-E138 PolarHBondContact O-N 3.06Å; E138-W140 VanDerWaalsContact C-N 3.33Å; E138-W140 PolarHBondContact O-N 3.34Å; E138-C141 PolarHBondContact O-N 2.97Å; E138-L142 HydrophobicContact CG-CD1 4.06Å; E138-L142 WeakPolarHBondContact O-CB 3.3Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.36Å; E138-L142 PolarHBondContact O-N 3.1Å; E138-L163 HydrophobicContact CB-CD2 4.45Å; E138-L163 HydrophobicContact CG-CD2 4.18Å
139A88.6Confident89.2Confident24 Ų2451.1 Ų51.120%0.19825%0.251CS..Hα-helixtrans-61.5-42.217600000111.9R135 I136 I137 L142 S143 L163R135-A139 WeakPolarHBondContact O-CB 3.41Å; R135-A139 PolarHBondContact O-N 3.38Å; I136-A139 PolarHBondContact O-N 3.33Å; I137-A139 PolarHBondContact O-N 2.98Å; A139-L142 PolarHBondContact O-N 3.33Å; A139-S143 PolarHBondContact O-N 2.95Å; A139-L163 HydrophobicContact CB-CD2 3.85Å
140W90.6Very high89.7Confident134 Ų13446.6 Ų46.651%0.50823%0.227SC..Hα-helixtrans-63-48.7175.5176.771.5000111.6P98 I136 I137 E138 L142 S143 Y144P98-W140 HydrophobicContact CB-CH2 3.61Å; P98-W140 HydrophobicContact CB-CZ2 4.17Å; P98-W140 HydrophobicContact CB-CZ3 3.96Å; P98-W140 HydrophobicContact CG-CE3 3.91Å; P98-W140 HydrophobicContact CG-CH2 3.62Å; P98-W140 HydrophobicContact CG-CZ2 4.25Å; P98-W140 HydrophobicContact CG-CZ3 3.43Å; P98-W140 VanDerWaalsContact CG-CZ3 3.43Å; I136-W140 WeakPolarHBondContact O-CB 3.39Å; I136-W140 PolarHBondContact O-N 2.99Å; I137-W140 PolarHBondContact O-N 3.43Å; E138-W140 VanDerWaalsContact C-N 3.33Å; E138-W140 PolarHBondContact O-N 3.34Å; W140-L142 VanDerWaalsContact C-N 3.33Å; W140-L142 PolarHBondContact O-N 2.94Å; W140-S143 WeakPolarHBondContact O-CB 3.34Å; W140-S143 PolarHBondContact O-N 3.06Å; W140-S143 VanDerWaalsContact O-N 3.12Å; W140-S143 PolarHBondContact O-OG 2.89Å; W140-Y144 HydrophobicContact CD2-CE2 4.23Å; W140-Y144 AromaticContact CE2-CE2 3.63Å; W140-Y144 AromaticContact CZ2-CE2 3.81Å; W140-Y144 HydrophobicContact CZ2-CE2 3.81Å; W140-Y144 AromaticContact NE1-CE2 3.65Å; W140-Y144 WeakPolarHBondContact O-CD2 3.28Å
141C92.8Very high90.2Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-57.1-44.2176.2-73.90000112.6P94 A97 P98 I137 E138 S143 Y144P94-C141 HydrophobicContact CB-CB 3.93Å; P94-C141 HydrophobicContact CG-CB 4.09Å; P94-C141 VanDerWaalsContact O-CB 3.32Å; P94-C141 WeakPolarHBondContact O-CB 3.34Å; A97-C141 WeakPolarHBondContact CB-O 3.13Å; P98-C141 HydrophobicContact CG-CB 4.4Å; I137-C141 WeakPolarHBondContact O-CB 3.42Å; I137-C141 PolarHBondContact O-N 3.37Å; I137-C141 PolarHBondContact O-SG 3.04Å; E138-C141 PolarHBondContact O-N 2.97Å; C141-S143 PolarHBondContact O-N 3.25Å; C141-Y144 PolarHBondContact O-N 3.42Å; C141-Y144 VanDerWaalsContact O-N 3.17Å
142L91.2Very high90.7Very high1 Ų141.5 Ų41.51%0.00520%0.204CC..Hα-helixtrans-65-25.9178.8-73.9170.2000113.5P94 Y110 E138 A139 W140 Y144 C145 V148 L163 M166P94-L142 HydrophobicContact CB-CD2 3.67Å; P94-L142 HydrophobicContact CB-CG 3.89Å; P94-L142 HydrophobicContact CG-CD2 4.04Å; P94-L142 HydrophobicContact CG-CG 3.91Å; Y110-L142 HydrophobicContact CD1-CD2 3.28Å; Y110-L142 HydrophobicContact CE1-CD2 3.43Å; Y110-L142 VanDerWaalsContact CE1-CD2 3.43Å; Y110-L142 HydrophobicContact CG-CD2 4.1Å; E138-L142 HydrophobicContact CG-CD1 4.06Å; E138-L142 WeakPolarHBondContact O-CB 3.3Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.36Å; E138-L142 PolarHBondContact O-N 3.1Å; A139-L142 PolarHBondContact O-N 3.33Å; W140-L142 VanDerWaalsContact C-N 3.33Å; W140-L142 PolarHBondContact O-N 2.94Å; L142-Y144 PolarHBondContact O-N 3.11Å; L142-C145 WeakPolarHBondContact O-CB 3.4Å; L142-C145 PolarHBondContact O-N 2.83Å; L142-V148 HydrophobicContact CD2-CG2 4.06Å; L142-L163 HydrophobicContact CD1-CD1 3.31Å; L142-L163 HydrophobicContact CD1-CD2 4.15Å; L142-L163 HydrophobicContact CD1-CG 4.21Å; L142-M166 HydrophobicContact CB-CE 3.7Å
143S90.6Very high91.2Very high80 Ų8046.5 Ų46.556%0.55922%0.218SC*.THydrogen-bonded Turntrans-63.7-17.8175.676.20000113.8A139 W140 C141A139-S143 PolarHBondContact O-N 2.95Å; W140-S143 WeakPolarHBondContact O-CB 3.34Å; W140-S143 PolarHBondContact O-N 3.06Å; W140-S143 VanDerWaalsContact O-N 3.12Å; W140-S143 PolarHBondContact O-OG 2.89Å; C141-S143 PolarHBondContact O-N 3.25Å
144Y93Very high91.5Very high83 Ų8343.1 Ų43.133%0.32520%0.201SC..THydrogen-bonded Turntrans-87.3-8.7173.7-70.1-98.4000113.5P98 K101 W140 C141 L142P98-Y144 HydrophobicContact CB-CD1 4.37Å; P98-Y144 HydrophobicContact CB-CD2 4.04Å; P98-Y144 HydrophobicContact CB-CE1 4.34Å; P98-Y144 HydrophobicContact CB-CE2 4.01Å; P98-Y144 HydrophobicContact CB-CG 4.23Å; P98-Y144 HydrophobicContact CG-CD2 3.75Å; P98-Y144 HydrophobicContact CG-CE2 3.98Å; P98-Y144 HydrophobicContact CG-CG 4.23Å; K101-Y144 HydrophobicContact CB-CD1 3.85Å; K101-Y144 HydrophobicContact CG-CD1 3.99Å; W140-Y144 HydrophobicContact CD2-CE2 4.23Å; W140-Y144 AromaticContact CE2-CE2 3.63Å; W140-Y144 AromaticContact CZ2-CE2 3.81Å; W140-Y144 HydrophobicContact CZ2-CE2 3.81Å; W140-Y144 AromaticContact NE1-CE2 3.65Å; W140-Y144 WeakPolarHBondContact O-CD2 3.28Å; C141-Y144 PolarHBondContact O-N 3.42Å; C141-Y144 VanDerWaalsContact O-N 3.17Å; L142-Y144 PolarHBondContact O-N 3.11Å
145C93.6Very high91.7Very high8 Ų841.8 Ų41.85%0.05419%0.194CC..  trans-86128.1177.4-57.10000109.8I108 L142 V148I108-C145 HydrophobicContact CG2-CB 4.45Å; L142-C145 WeakPolarHBondContact O-CB 3.4Å; L142-C145 PolarHBondContact O-N 2.83Å; C145-V148 HydrophobicContact CB-CG2 4.07Å
146D93.3Very high92.1Very high62 Ų6237.5 Ų37.533%0.33218%0.18SC..SBendtrans-77.4-33.8-178.5-54.3-100.3000110.7K101 K107 I108K101-D146 IonicContact NZ-OD1 2.98Å; K101-D146 PolarHBondContact NZ-OD1 3.02Å; K101-D146 IonicContact NZ-OD2 2.69Å; K101-D146 PolarHBondContact NZ-OD2 3.12Å; K107-D146 WeakPolarHBondContact CA-OD2 3.2Å; K107-D146 HydrophobicContact CB-CB 4.39Å; I108-D146 PolarHBondContact N-OD2 3.03Å; I108-D146 PolarHBondContact O-N 3.22Å
147I93.5Very high92.3Very high6 Ų639.3 Ų39.33%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-133.8141.5169.5-70.2-171.6000110.7I108 F109 Y110 H423 L426 I427I108-I147 PolarHBondContact O-N 2.96Å; F109-I147 HydrophobicContact CD2-CB 4.39Å; F109-I147 HydrophobicContact CD2-CG2 4.1Å; F109-I147 HydrophobicContact CE2-CG2 4.08Å; Y110-I147 PolarHBondContact N-O 3.28Å; I147-H423 WeakPolarHBondContact CD1-O 3.42Å; I147-L426 HydrophobicContact CD1-CB 3.53Å; I147-I427 HydrophobicContact CB-CD1 4.24Å; I147-I427 HydrophobicContact CB-CG1 4.13Å; I147-I427 HydrophobicContact CD1-CB 4.33Å; I147-I427 HydrophobicContact CD1-CD1 4.2Å; I147-I427 HydrophobicContact CD1-CG1 3.27Å; I147-I427 HydrophobicContact CG1-CD1 4.34Å; I147-I427 HydrophobicContact CG1-CG1 3.69Å
148V94Very high92.4Very high0 Ų037.4 Ų37.40%017%0.171CC..EExtended strand (participates in β ladder)trans-118.2115.7170.9177.10000108.6Y110 C112 L142 C145 M166 N170 C171 K172Y110-V148 HydrophobicContact CD1-CG1 4Å; Y110-V148 HydrophobicContact CD1-CG2 4.29Å; Y110-V148 CarbonylContact O-C 3.5Å; Y110-V148 WeakPolarHBondContact O-CA 3.11Å; C112-V148 HydrophobicContact CB-CG1 4.2Å; L142-V148 HydrophobicContact CD2-CG2 4.06Å; C145-V148 HydrophobicContact CB-CG2 4.07Å; V148-M166 HydrophobicContact CG2-SD 4.05Å; V148-N170 PolarHBondContact N-O 3.35Å; V148-C171 CarbonylContact O-C 3.26Å; V148-C171 WeakPolarHBondContact O-CA 3.35Å; V148-K172 PolarHBondContact O-N 3.21Å
149S95.2Very high92.4Very high0 Ų037.1 Ų37.10%017%0.169CC..EExtended strand (participates in β ladder)trans-98.6141.3170.4-72.40000110.3F109 Y110 C112 K172 H423F109-S149 WeakPolarHBondContact CZ-OG 3.44Å; Y110-S149 PolarHBondContact O-N 3.26Å; C112-S149 WeakPolarHBondContact CB-O 3.33Å; C112-S149 PolarHBondContact N-O 3.38Å; S149-K172 CarbonylContact C-O 3.48Å; S149-K172 VanDerWaalsContact CA-O 3.3Å; S149-K172 WeakPolarHBondContact CA-O 3.39Å; S149-H423 PolarHBondContact OG-ND1 2.72Å
150T94.9Very high92.4Very high0 Ų038.9 Ų38.90%017%0.173CC..EExtended strand (participates in β ladder)trans-119.4142.6-179.348.90000110.4C112 S152 T155 T156 V159 K172 L174C112-T150 HydrophobicContact CB-CG2 4.08Å; T150-S152 VanDerWaalsContact C-N 3.34Å; T150-S152 PolarHBondContact O-N 3.25Å; T150-T155 HydrophobicContact CG2-CG2 3.99Å; T150-T156 PolarHBondContact OG1-OG1 3.07Å; T150-V159 HydrophobicContact CG2-CG2 3.97Å; T150-K172 PolarHBondContact N-O 2.59Å; T150-K172 PolarHBondContact OG1-O 2.93Å; T150-L174 CarbonylContact O-C 3.46Å; T150-L174 PolarHBondContact O-N 3.46Å
151N94.4Very high92.2Very high11 Ų1142.5 Ų42.56%0.05919%0.187CC..SBendtrans-76.1-14.5-174.767.9-7.4000115.4Y111 C112 H113 T155 Y175 P176 F339Y111-N151 HydrophobicContact CE1-CB 4.12Å; Y111-N151 WeakPolarHBondContact OH-CA 3.48Å; Y111-N151 VanDerWaalsContact OH-CB 3.27Å; Y111-N151 WeakPolarHBondContact OH-CB 3.47Å; C112-N151 PolarHBondContact O-N 3.39Å; H113-N151 PolarHBondContact O-ND2 3.47Å; H113-N151 PolarHBondContact O-OD1 2.81Å; H113-N151 VanDerWaalsContact O-OD1 3.11Å; N151-T155 VanDerWaalsContact OD1-CB 3.28Å; N151-T155 WeakPolarHBondContact OD1-CB 3.37Å; N151-T155 PolarHBondContact OD1-OG1 2.79Å; N151-Y175 VanDerWaalsContact O-CD1 3.24Å; N151-Y175 WeakPolarHBondContact O-CD1 3.5Å; N151-P176 HydrophobicContact CB-CG 4.07Å; N151-P176 VanDerWaalsContact O-CD 3.29Å; N151-P176 WeakPolarHBondContact O-CD 3.12Å; N151-F339 WeakPolarHBondContact O-CD2 3.41Å
152S94.5Very high91.6Very high0 Ų045.7 Ų45.70%020%0.202CC..SBendtrans-156.4158.2-179.472.60000110.8T150 Y154 T155 T156 H338T150-S152 VanDerWaalsContact C-N 3.34Å; T150-S152 PolarHBondContact O-N 3.25Å; S152-Y154 PolarHBondContact O-N 3.49Å; S152-T155 PolarHBondContact O-N 2.89Å; S152-T155 VanDerWaalsContact O-N 3.15Å; S152-T155 PolarHBondContact OG-N 3Å; S152-T155 PolarHBondContact OG-OG1 3.18Å; S152-T155 VanDerWaalsContact OG-OG1 3.05Å; S152-T156 PolarHBondContact O-N 3.3Å; S152-T156 PolarHBondContact O-OG1 3.15Å; S152-H338 VanDerWaalsContact CB-O 3.3Å; S152-H338 WeakPolarHBondContact CB-O 3.46Å; S152-H338 PolarHBondContact OG-O 2.84Å
153R93.4Very high91.2Very high148 Ų14845.8 Ų45.856%0.55820%0.202SC*.Hα-helixtrans-63.7-31.5173.9-64.1173.3-179-144.20.1111T156 R157 L173 Y175 E363R153-T156 PolarHBondContact O-N 3.18Å; R153-R157 WeakPolarHBondContact O-CG 3.45Å; R153-R157 PolarHBondContact O-N 3.37Å; R153-L173 HydrophobicContact CG-CD1 4.22Å; R153-L173 HydrophobicContact CG-CD2 3.62Å; R153-Y175 WeakPolarHBondContact CG-OH 3.42Å; R153-Y175 PolarHBondContact NE-OH 3.13Å; R153-E363 WeakPolarHBondContact CA-OE1 3.47Å; R153-E363 WeakPolarHBondContact CB-OE1 3.28Å; R153-E363 WeakPolarHBondContact CB-OE2 3.41Å; R153-E363 WeakPolarHBondContact CG-OE2 3.21Å; R153-E363 VanDerWaalsContact N-CD 3.33Å; R153-E363 PolarHBondContact N-OE1 2.76Å; R153-E363 VanDerWaalsContact N-OE1 3.07Å; R153-E363 PolarHBondContact N-OE2 3.41Å
154Y92Very high90.2Very high39 Ų3946.3 Ų46.315%0.15321%0.211CC..Hα-helixtrans-56.9-53.9170.2173.6-105.2000110.6F114 S152 T156 R157 V158 C359 E363F114-Y154 HydrophobicContact CD2-CE1 4.49Å; F114-Y154 HydrophobicContact CE2-CD1 4.18Å; F114-Y154 AromaticContact CE2-CE1 3.52Å; F114-Y154 HydrophobicContact CE2-CE1 3.52Å; F114-Y154 HydrophobicContact CZ-CE1 4Å; S152-Y154 PolarHBondContact O-N 3.49Å; Y154-T156 VanDerWaalsContact C-N 3.35Å; Y154-T156 PolarHBondContact O-N 3.17Å; Y154-R157 PolarHBondContact O-N 3.15Å; Y154-V158 HydrophobicContact CD2-CG2 4.47Å; Y154-V158 HydrophobicContact CE1-CG2 4.18Å; Y154-V158 HydrophobicContact CE2-CG2 4.04Å; Y154-V158 WeakPolarHBondContact O-CG2 3.04Å; Y154-V158 PolarHBondContact O-N 3.45Å; Y154-C359 HydrophobicContact CD1-CB 3.96Å; Y154-C359 HydrophobicContact CD2-CB 4.1Å; Y154-C359 HydrophobicContact CE1-CB 3.91Å; Y154-C359 HydrophobicContact CE2-CB 4.06Å; Y154-C359 VanDerWaalsContact CE2-SG 3.56Å; Y154-C359 HydrophobicContact CG-CB 4.05Å; Y154-E363 PolarHBondContact N-OE1 3.29Å
155T92.1Very high89.3Confident0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-59.8-43.9176-59.20000111.5F114 T150 N151 S152 R157 V158 V159F114-T155 HydrophobicContact CD2-CG2 4.21Å; T150-T155 HydrophobicContact CG2-CG2 3.99Å; N151-T155 VanDerWaalsContact OD1-CB 3.28Å; N151-T155 WeakPolarHBondContact OD1-CB 3.37Å; N151-T155 PolarHBondContact OD1-OG1 2.79Å; S152-T155 PolarHBondContact O-N 2.89Å; S152-T155 VanDerWaalsContact O-N 3.15Å; S152-T155 PolarHBondContact OG-N 3Å; S152-T155 PolarHBondContact OG-OG1 3.18Å; S152-T155 VanDerWaalsContact OG-OG1 3.05Å; T155-R157 VanDerWaalsContact C-N 3.33Å; T155-R157 PolarHBondContact O-N 3.14Å; T155-V158 PolarHBondContact O-N 3.43Å; T155-V158 VanDerWaalsContact O-N 3.12Å; T155-V159 HydrophobicContact CG2-CG2 4.39Å; T155-V159 WeakPolarHBondContact O-CG2 3.28Å; T155-V159 PolarHBondContact O-N 3.48Å
156T92.4Very high88.6Confident20 Ų2045.9 Ų45.912%0.12323%0.229CC..Hα-helixtrans-54.1-47.5174.4-44.70000111.8T150 S152 R153 Y154 V158 V159 H160T150-T156 PolarHBondContact OG1-OG1 3.07Å; S152-T156 PolarHBondContact O-N 3.3Å; S152-T156 PolarHBondContact O-OG1 3.15Å; R153-T156 PolarHBondContact O-N 3.18Å; Y154-T156 VanDerWaalsContact C-N 3.35Å; Y154-T156 PolarHBondContact O-N 3.17Å; T156-V158 PolarHBondContact O-N 3.07Å; T156-V159 PolarHBondContact O-N 2.93Å; T156-H160 WeakPolarHBondContact CG2-NE2 3.33Å; T156-H160 PolarHBondContact O-CD2 2.84Å; T156-H160 PolarHBondContact O-N 2.87Å
157R90.9Very high87.6Confident150 Ų15046.1 Ų46.157%0.56623%0.233SC*.Hα-helixtrans-63.5-40.3177.5-74.3-175.9-62.6-114.4-2.3112.3R153 Y154 T155 R161R153-R157 WeakPolarHBondContact O-CG 3.45Å; R153-R157 PolarHBondContact O-N 3.37Å; Y154-R157 PolarHBondContact O-N 3.15Å; T155-R157 VanDerWaalsContact C-N 3.33Å; T155-R157 PolarHBondContact O-N 3.14Å; R157-R161 VanDerWaalsContact O-CB 3.27Å; R157-R161 WeakPolarHBondContact O-CB 3.33Å; R157-R161 PolarHBondContact O-N 2.91Å
158V89.8Confident86.6Confident14 Ų1451.5 Ų51.59%0.08526%0.262CS..Hα-helixtrans-64.5-43.8177.5176.40000110.2F114 P115 F118 Y154 T155 T156 R161 H162F114-V158 HydrophobicContact CE2-CB 4.35Å; F114-V158 HydrophobicContact CE2-CG1 4.24Å; F114-V158 HydrophobicContact CE2-CG2 4.14Å; F114-V158 HydrophobicContact CZ-CG1 4.31Å; F114-V158 HydrophobicContact CZ-CG2 4.49Å; P115-V158 HydrophobicContact CG-CG1 3.98Å; F118-V158 HydrophobicContact CD2-CG1 3.74Å; F118-V158 HydrophobicContact CE2-CG1 3.37Å; F118-V158 HydrophobicContact CZ-CG1 4.11Å; Y154-V158 HydrophobicContact CD2-CG2 4.47Å; Y154-V158 HydrophobicContact CE1-CG2 4.18Å; Y154-V158 HydrophobicContact CE2-CG2 4.04Å; Y154-V158 WeakPolarHBondContact O-CG2 3.04Å; Y154-V158 PolarHBondContact O-N 3.45Å; T155-V158 PolarHBondContact O-N 3.43Å; T155-V158 VanDerWaalsContact O-N 3.12Å; T156-V158 PolarHBondContact O-N 3.07Å; V158-R161 PolarHBondContact O-N 2.92Å; V158-H162 PolarHBondContact O-N 3.39Å; V158-H162 VanDerWaalsContact O-N 3.15Å; V158-H162 PolarHBondContact O-ND1 3.2Å
159V89.2Confident85.5Confident0 Ų061.9 Ų61.90%030%0.301CS..Hα-helixtrans-58.5-54.9176168.70000110.7P115 T150 T155 T156 R161 H162 L163 M166P115-V159 HydrophobicContact CG-CG2 3.85Å; T150-V159 HydrophobicContact CG2-CG2 3.97Å; T155-V159 HydrophobicContact CG2-CG2 4.39Å; T155-V159 WeakPolarHBondContact O-CG2 3.28Å; T155-V159 PolarHBondContact O-N 3.48Å; T156-V159 PolarHBondContact O-N 2.93Å; V159-R161 PolarHBondContact O-N 3.42Å; V159-H162 PolarHBondContact O-N 2.85Å; V159-L163 HydrophobicContact CB-CD1 4.25Å; V159-L163 HydrophobicContact CG1-CB 4.47Å; V159-L163 HydrophobicContact CG1-CD1 3.9Å; V159-L163 HydrophobicContact CG2-CD1 4.14Å; V159-L163 VanDerWaalsContact O-CB 3.32Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 2.78Å; V159-M166 HydrophobicContact CG1-CB 3.97Å; V159-M166 HydrophobicContact CG1-CG 3.93Å
160H88.5Confident84.8Confident60 Ų6063.5 Ų63.528%0.27831%0.309SS..Hα-helixtrans-60.3-32-179.9-72.2-55.5000114T156 M166 T167 N168T156-H160 WeakPolarHBondContact CG2-NE2 3.33Å; T156-H160 PolarHBondContact O-CD2 2.84Å; T156-H160 PolarHBondContact O-N 2.87Å; H160-M166 PolarHBondContact ND1-O 3.49Å; H160-T167 VanDerWaalsContact CE1-C 3.47Å; H160-N168 PolarHBondContact CE1-OD1 2.78Å; H160-N168 PolarHBondContact NE2-OD1 3.2Å; H160-N168 VanDerWaalsContact NE2-OD1 3.15Å
161R86.1Confident84.6Confident210 Ų21063.7 Ų63.779%0.79231%0.311SS*.Hα-helixtrans-76.5-32-177.8-171.5175.3-148.7165.46.1113.1R157 V158 V159R157-R161 VanDerWaalsContact O-CB 3.27Å; R157-R161 WeakPolarHBondContact O-CB 3.33Å; R157-R161 PolarHBondContact O-N 2.91Å; V158-R161 PolarHBondContact O-N 2.92Å; V159-R161 PolarHBondContact O-N 3.42Å
162H82.3Confident84.5Confident68 Ų6866 Ų6632%0.31532%0.32SS..Hα-helixtrans-117.1-15.2-168.2-55.898.4000114.2F118 V158 V159F118-H162 HydrophobicContact CE2-CB 4.19Å; F118-H162 AromaticContact CE2-ND1 3.88Å; F118-H162 HydrophobicContact CZ-CB 4.04Å; F118-H162 AromaticContact CZ-CD2 3.71Å; F118-H162 AromaticContact CZ-CE1 3.74Å; F118-H162 AromaticContact CZ-CG 3.52Å; F118-H162 AromaticContact CZ-ND1 3.56Å; F118-H162 AromaticContact CZ-NE2 3.87Å; V158-H162 PolarHBondContact O-N 3.39Å; V158-H162 VanDerWaalsContact O-N 3.15Å; V158-H162 PolarHBondContact O-ND1 3.2Å; V159-H162 PolarHBondContact O-N 2.85Å
163L80.9Confident84.5Confident2 Ų268.2 Ų68.21%0.0133%0.332CS..SBendtrans-114.795.1-178.1-60.6167.3000109.2P115 E138 A139 L142 V159 M166P115-L163 HydrophobicContact CB-CD1 4.4Å; P115-L163 HydrophobicContact CG-CD1 4.48Å; E138-L163 HydrophobicContact CB-CD2 4.45Å; E138-L163 HydrophobicContact CG-CD2 4.18Å; A139-L163 HydrophobicContact CB-CD2 3.85Å; L142-L163 HydrophobicContact CD1-CD1 3.31Å; L142-L163 HydrophobicContact CD1-CD2 4.15Å; L142-L163 HydrophobicContact CD1-CG 4.21Å; V159-L163 HydrophobicContact CB-CD1 4.25Å; V159-L163 HydrophobicContact CG1-CB 4.47Å; V159-L163 HydrophobicContact CG1-CD1 3.9Å; V159-L163 HydrophobicContact CG2-CD1 4.14Å; V159-L163 VanDerWaalsContact O-CB 3.32Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 2.78Å; L163-M166 HydrophobicContact CB-CG 3.9Å; L163-M166 WeakPolarHBondContact O-CB 3.23Å; L163-M166 PolarHBondContact O-N 2.62Å
164A70.9Confident84.6Confident91 Ų9161.2 Ų61.275%0.75231%0.306SS*.THydrogen-bonded Turntrans-57.3141.9-179.800000111.4M166A164-M166 VanDerWaalsContact C-N 3.3Å; A164-M166 PolarHBondContact O-N 3.41Å
165G74.2Confident84.8Confident64 Ų6461.3 Ų61.366%0.6631%0.306SS*.THydrogen-bonded Turntrans85.8-10.8-178.500000115.1T167G165-T167 PolarHBondContact O-N 2.89Å
166M77.4Confident85Confident18 Ų1861.5 Ų61.59%0.08931%0.307CS..  trans-76.9112.4172.5-64.9-65.8130.800110.5L142 V148 V159 H160 L163 A164L142-M166 HydrophobicContact CB-CE 3.7Å; V148-M166 HydrophobicContact CG2-SD 4.05Å; V159-M166 HydrophobicContact CG1-CB 3.97Å; V159-M166 HydrophobicContact CG1-CG 3.93Å; H160-M166 PolarHBondContact ND1-O 3.49Å; L163-M166 HydrophobicContact CB-CG 3.9Å; L163-M166 WeakPolarHBondContact O-CB 3.23Å; L163-M166 PolarHBondContact O-N 2.62Å; A164-M166 VanDerWaalsContact C-N 3.3Å; A164-M166 PolarHBondContact O-N 3.41Å
167T73.6Confident85.2Confident68 Ų6860.6 Ų60.642%0.41730%0.302SS..  trans-108.8166179.269.60000111H160 G165 R169 N170 C171H160-T167 VanDerWaalsContact CE1-C 3.47Å; G165-T167 PolarHBondContact O-N 2.89Å; T167-R169 PolarHBondContact O-N 2.79Å; T167-R169 WeakPolarHBondContact OG1-CB 3.39Å; T167-R169 PolarHBondContact OG1-N 2.79Å; T167-N170 WeakPolarHBondContact CA-OD1 3.29Å; T167-N170 PolarHBondContact N-OD1 3.37Å; T167-N170 PolarHBondContact O-N 2.94Å; T167-N170 PolarHBondContact O-OD1 3.4Å; T167-N170 PolarHBondContact OG1-OD1 2.8Å; T167-C171 WeakPolarHBondContact O-CB 3.25Å; T167-C171 PolarHBondContact O-N 3.21Å
168N72.3Confident85.3Confident119 Ų11953.7 Ų53.764%0.63628%0.276SS*.THydrogen-bonded Turntrans-62.7-9.1172.6-67.3-18.7000113.3H160 K172H160-N168 PolarHBondContact CE1-OD1 2.78Å; H160-N168 PolarHBondContact NE2-OD1 3.2Å; H160-N168 VanDerWaalsContact NE2-OD1 3.15Å; N168-K172 WeakPolarHBondContact O-CE 3.28Å; N168-K172 PolarHBondContact O-NZ 3.23Å
169R71.1Confident85.3Confident217 Ų21753.1 Ų53.182%0.81927%0.273SS*.THydrogen-bonded Turntrans-77.7-46.5176-65.6-174.3176.9-177.8-0.8111.3T167 K172T167-R169 PolarHBondContact O-N 2.79Å; T167-R169 WeakPolarHBondContact OG1-CB 3.39Å; T167-R169 PolarHBondContact OG1-N 2.79Å; R169-K172 VanDerWaalsContact O-CE 3.26Å; R169-K172 WeakPolarHBondContact O-CE 3.44Å
170N80.8Confident85.2Confident35 Ų3553.8 Ų53.819%0.18728%0.276CS..THydrogen-bonded Turntrans-96-22.7-178.861.8-18.2000113.7V148 T167V148-N170 PolarHBondContact N-O 3.35Å; T167-N170 WeakPolarHBondContact CA-OD1 3.29Å; T167-N170 PolarHBondContact N-OD1 3.37Å; T167-N170 PolarHBondContact O-N 2.94Å; T167-N170 PolarHBondContact O-OD1 3.4Å; T167-N170 PolarHBondContact OG1-OD1 2.8Å
171C89.1Confident84.9Confident4 Ų451.6 Ų51.63%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-100.2115.2175.7-171.70000111.2V148 T167V148-C171 CarbonylContact O-C 3.26Å; V148-C171 WeakPolarHBondContact O-CA 3.35Å; T167-C171 WeakPolarHBondContact O-CB 3.25Å; T167-C171 PolarHBondContact O-N 3.21Å
172K92.8Very high84.6Confident59 Ų5941.6 Ų41.626%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-119.8156.4-178.5-57.8-60.9-170.9-172.80111.9V148 S149 T150 N168 R169 H423 L426V148-K172 PolarHBondContact O-N 3.21Å; S149-K172 CarbonylContact C-O 3.48Å; S149-K172 VanDerWaalsContact CA-O 3.3Å; S149-K172 WeakPolarHBondContact CA-O 3.39Å; T150-K172 PolarHBondContact N-O 2.59Å; T150-K172 PolarHBondContact OG1-O 2.93Å; N168-K172 WeakPolarHBondContact O-CE 3.28Å; N168-K172 PolarHBondContact O-NZ 3.23Å; R169-K172 VanDerWaalsContact O-CE 3.26Å; R169-K172 WeakPolarHBondContact O-CE 3.44Å; K172-H423 WeakPolarHBondContact CB-CE1 3.33Å; K172-H423 WeakPolarHBondContact CB-NE2 3.16Å; K172-L426 HydrophobicContact CD-CD1 4.47Å; K172-L426 HydrophobicContact CG-CD1 4.4Å
173L94.8Very high84.5Confident47 Ų4740.9 Ų40.925%0.24623%0.23CC..EExtended strand (participates in β ladder)trans-93.5121.7178.2176.967.8000109.6R153 Y175 H423R153-L173 HydrophobicContact CG-CD1 4.22Å; R153-L173 HydrophobicContact CG-CD2 3.62Å; L173-Y175 HydrophobicContact CD1-CD1 4.27Å; L173-Y175 HydrophobicContact CD1-CE1 3.99Å; L173-Y175 HydrophobicContact CD1-CE2 4.48Å; L173-Y175 HydrophobicContact CD2-CD2 4.28Å; L173-Y175 HydrophobicContact CD2-CE1 4.44Å; L173-Y175 HydrophobicContact CD2-CE2 3.62Å; L173-Y175 HydrophobicContact CG-CD2 4.4Å; L173-Y175 HydrophobicContact CG-CE2 4.17Å; L173-H423 PolarHBondContact O-CE1 3.27Å; L173-H423 VanDerWaalsContact O-CE1 3.22Å
174L95.9Very high84.4Confident1 Ų147.2 Ų47.21%0.00526%0.257CS..  trans-132.192.7173.6177.760.8000108.5M22 F109 Y111 T150 F416 T419 F420M22-L174 HydrophobicContact CE-CD2 3.6Å; F109-L174 HydrophobicContact CZ-CD2 4.3Å; Y111-L174 HydrophobicContact CD2-CD2 4.11Å; Y111-L174 HydrophobicContact CE2-CB 3.96Å; Y111-L174 HydrophobicContact CE2-CD2 3.83Å; Y111-L174 HydrophobicContact CE2-CG 3.93Å; Y111-L174 WeakPolarHBondContact CE2-O 3.49Å; Y111-L174 PolarHBondContact OH-O 2.87Å; T150-L174 CarbonylContact O-C 3.46Å; T150-L174 PolarHBondContact O-N 3.46Å; L174-F416 HydrophobicContact CD1-CD2 3.68Å; L174-F416 HydrophobicContact CD1-CE2 3.83Å; L174-F416 HydrophobicContact CD2-CE2 3.92Å; L174-F416 HydrophobicContact CD2-CZ 4.4Å; L174-F416 HydrophobicContact CG-CD2 4.08Å; L174-F416 HydrophobicContact CG-CE2 3.76Å; L174-T419 HydrophobicContact CD1-CG2 3.81Å; L174-F420 HydrophobicContact CD1-CB 4.12Å; L174-F420 HydrophobicContact CD2-CB 4.12Å; L174-F420 HydrophobicContact CD2-CD2 3.73Å; L174-F420 HydrophobicContact CD2-CG 4.28Å
175Y96.6Very high84.5Confident41 Ų4144.6 Ų44.616%0.16123%0.229CC..PPolyproline II helixtrans-60.1136.6176-74.1-57.3000111.2N151 R153 L173 F339 E363 T410 F411 F416N151-Y175 VanDerWaalsContact O-CD1 3.24Å; N151-Y175 WeakPolarHBondContact O-CD1 3.5Å; R153-Y175 WeakPolarHBondContact CG-OH 3.42Å; R153-Y175 PolarHBondContact NE-OH 3.13Å; L173-Y175 HydrophobicContact CD1-CD1 4.27Å; L173-Y175 HydrophobicContact CD1-CE1 3.99Å; L173-Y175 HydrophobicContact CD1-CE2 4.48Å; L173-Y175 HydrophobicContact CD2-CD2 4.28Å; L173-Y175 HydrophobicContact CD2-CE1 4.44Å; L173-Y175 HydrophobicContact CD2-CE2 3.62Å; L173-Y175 HydrophobicContact CG-CD2 4.4Å; L173-Y175 HydrophobicContact CG-CE2 4.17Å; Y175-F339 HydrophobicContact CD1-CD2 4.16Å; Y175-F339 AromaticContact CD1-CE2 3.57Å; Y175-F339 HydrophobicContact CD1-CE2 3.57Å; Y175-F339 HydrophobicContact CD1-CZ 4.45Å; Y175-F339 HydrophobicContact CE1-CE2 4.16Å; Y175-F339 HydrophobicContact CG-CE2 4.47Å; Y175-E363 HydrophobicContact CE1-CB 4.35Å; Y175-E363 WeakPolarHBondContact CE1-OE2 3.32Å; Y175-E363 VanDerWaalsContact CZ-OE2 3.28Å; Y175-E363 PolarHBondContact OH-OE2 2.9Å; Y175-T410 HydrophobicContact CD2-CG2 4.26Å; Y175-T410 HydrophobicContact CE2-CG2 4.41Å; Y175-F411 AromaticContact CD1-CE1 3.9Å; Y175-F411 HydrophobicContact CD1-CE1 3.9Å; Y175-F411 HydrophobicContact CD2-CE1 4.25Å; Y175-F411 HydrophobicContact CE1-CE1 4.47Å; Y175-F411 HydrophobicContact CG-CD1 4.36Å; Y175-F411 AromaticContact CG-CE1 3.78Å; Y175-F411 HydrophobicContact CG-CE1 3.78Å; Y175-F416 VanDerWaalsContact O-CD2 3.25Å; Y175-F416 WeakPolarHBondContact O-CD2 3.42Å
176P96Very high84Confident4 Ų444.6 Ų44.63%0.02622%0.219CC..PPolyproline II helixtrans-53.2141.5163.8-28.337.5000111.7V18 Y111 N151 F339 I341 F411V18-P176 HydrophobicContact CG2-CB 3.56Å; V18-P176 HydrophobicContact CG2-CG 3.73Å; Y111-P176 WeakPolarHBondContact OH-CD 2.97Å; Y111-P176 WeakPolarHBondContact OH-CG 3.15Å; N151-P176 HydrophobicContact CB-CG 4.07Å; N151-P176 VanDerWaalsContact O-CD 3.29Å; N151-P176 WeakPolarHBondContact O-CD 3.12Å; P176-F339 HydrophobicContact CB-CD1 4.06Å; P176-F339 HydrophobicContact CB-CE1 3.53Å; P176-F339 HydrophobicContact CB-CZ 4.07Å; P176-F339 HydrophobicContact CG-CD1 3.56Å; P176-F339 HydrophobicContact CG-CE1 3.51Å; P176-F339 HydrophobicContact CG-CG 4.15Å; P176-F339 HydrophobicContact CG-CZ 4.04Å; P176-I341 HydrophobicContact CB-CD1 3.74Å; P176-F411 WeakPolarHBondContact O-CD1 3.22Å
177A95.4Very high83.1Confident1 Ų145.7 Ų45.71%0.00823%0.227CC..PPolyproline II helixtrans-81.1167.1164.800000111P179 I341 I344 F411 L413 F416A177-P179 WeakPolarHBondContact O-CD 3.49Å; A177-I341 WeakPolarHBondContact O-CD1 3.3Å; A177-I344 WeakPolarHBondContact O-CD1 3.24Å; A177-F411 CarbonylContact C-O 3.44Å; A177-F411 WeakPolarHBondContact CA-O 3.33Å; A177-L413 HydrophobicContact CB-CD2 3.7Å; A177-L413 HydrophobicContact CB-CG 4.18Å; A177-F416 HydrophobicContact CB-CB 3.75Å; A177-F416 HydrophobicContact CB-CG 4.17Å
178V94.2Very high82.1Confident4 Ų448.5 Ų48.52%0.02424%0.244CC..SBendtrans-56.9122.2160.6179.10000107.6N180 V183 I344 E345 H348 I407 F411V178-N180 PolarHBondContact O-N 3.05Å; V178-V183 HydrophobicContact CG1-CG2 3.97Å; V178-I344 HydrophobicContact CG2-CB 4.33Å; V178-I344 HydrophobicContact CG2-CD1 4.17Å; V178-I344 HydrophobicContact CG2-CG1 4.31Å; V178-E345 HydrophobicContact CG1-CG 4.48Å; V178-H348 HydrophobicContact CG1-CB 3.87Å; V178-H348 HydrophobicContact CG2-CB 4.09Å; V178-I407 HydrophobicContact CG2-CD1 4.24Å; V178-I407 HydrophobicContact CG2-CG2 3.54Å; V178-F411 PolarHBondContact N-O 2.99Å
179P90.4Very high81.2Confident3 Ų350.2 Ų50.22%0.01925%0.253CS..PPolyproline II helixtrans-53.8133.5-170.4-31.738.4000112.9A17 A177 V181 T182 V183 I341 E345A17-P179 HydrophobicContact CB-CB 3.93Å; A17-P179 HydrophobicContact CB-CG 3.89Å; A177-P179 WeakPolarHBondContact O-CD 3.49Å; P179-V181 HydrophobicContact CB-CG2 3.76Å; P179-V181 PolarHBondContact O-N 3.4Å; P179-V181 VanDerWaalsContact O-N 3.16Å; P179-T182 WeakPolarHBondContact O-CB 3.22Å; P179-T182 PolarHBondContact O-N 2.97Å; P179-V183 PolarHBondContact O-N 3.33Å; P179-V183 VanDerWaalsContact O-N 3.12Å; P179-I341 HydrophobicContact CG-CD1 3.88Å; P179-I341 HydrophobicContact CG-CG1 3.53Å; P179-E345 HydrophobicContact CG-CG 4.34Å
180N86.6Confident80.3Confident13 Ų1342.1 Ų42.17%0.0723%0.233CC..Hα-helixtrans-57.2-33.9178-169.4-84.8000112.2D21 L24 V178 T182 V183 K184 L413D21-N180 WeakPolarHBondContact OD1-CB 2.98Å; D21-N180 PolarHBondContact OD1-N 3.37Å; D21-N180 VanDerWaalsContact OD1-N 3.13Å; D21-N180 PolarHBondContact OD2-N 3.46Å; L24-N180 HydrophobicContact CD1-CB 3.94Å; V178-N180 PolarHBondContact O-N 3.05Å; N180-T182 VanDerWaalsContact C-N 3.33Å; N180-T182 PolarHBondContact O-N 2.88Å; N180-V183 PolarHBondContact O-N 3.15Å; N180-K184 WeakPolarHBondContact O-CB 3.38Å; N180-K184 WeakPolarHBondContact O-CG 3.3Å; N180-K184 PolarHBondContact O-N 3.32Å; N180-K184 WeakPolarHBondContact OD1-CD 3.33Å; N180-K184 WeakPolarHBondContact OD1-CE 3.44Å; N180-K184 PolarHBondContact OD1-NZ 2.94Å; N180-L413 HydrophobicContact CB-CD1 4.18Å; N180-L413 HydrophobicContact CB-CD2 4.33Å; N180-L413 VanDerWaalsContact ND2-CD1 3.34Å; N180-L413 WeakPolarHBondContact ND2-CD1 3.31Å
181V82.6Confident78.9Confident14 Ų1452.8 Ų52.89%0.08527%0.271CS..Hα-helixtrans-59.2-42.5174.9-64.20000112F20 W44 K47 P179 E185F20-V181 HydrophobicContact CD1-CG1 3.89Å; F20-V181 HydrophobicContact CE1-CG1 3.75Å; W44-V181 HydrophobicContact CZ3-CG1 4.44Å; K47-V181 HydrophobicContact CD-CG1 3.67Å; P179-V181 HydrophobicContact CB-CG2 3.76Å; P179-V181 PolarHBondContact O-N 3.4Å; P179-V181 VanDerWaalsContact O-N 3.16Å; V181-E185 VanDerWaalsContact O-CB 3.29Å; V181-E185 WeakPolarHBondContact O-CB 2.85Å; V181-E185 VanDerWaalsContact O-CD 3.24Å; V181-E185 WeakPolarHBondContact O-CG 3.34Å; V181-E185 PolarHBondContact O-N 3.37Å; V181-E185 VanDerWaalsContact O-N 3.08Å
182T79.9Confident77.4Confident1 Ų154.7 Ų54.71%0.00628%0.284CS..Hα-helixtrans-69.6-39.9178.3-58.60000111.4P179 N180 V321 E345 F349P179-T182 WeakPolarHBondContact O-CB 3.22Å; P179-T182 PolarHBondContact O-N 2.97Å; N180-T182 VanDerWaalsContact C-N 3.33Å; N180-T182 PolarHBondContact O-N 2.88Å; T182-V321 HydrophobicContact CG2-CG2 4.47Å; T182-E345 HydrophobicContact CG2-CG 4.34Å; T182-E345 PolarHBondContact OG1-OE1 3.28Å; T182-F349 HydrophobicContact CG2-CE2 3.8Å; T182-F349 HydrophobicContact CG2-CZ 4.28Å
183V79.5Confident76Confident53 Ų5357.7 Ų57.732%0.32131%0.313SS..Hα-helixtrans-66.2-42.2177.9179.50000111.5V178 P179 N180V178-V183 HydrophobicContact CG1-CG2 3.97Å; P179-V183 PolarHBondContact O-N 3.33Å; P179-V183 VanDerWaalsContact O-N 3.12Å; N180-V183 PolarHBondContact O-N 3.15Å
184K78.5Confident75Confident135 Ų13557.3 Ų57.359%0.58731%0.311SS*.Hα-helixtrans-75.1-26.5-178.7-76.9-176.6176.8155.50113.9N180 C186N180-K184 WeakPolarHBondContact O-CB 3.38Å; N180-K184 WeakPolarHBondContact O-CG 3.3Å; N180-K184 PolarHBondContact O-N 3.32Å; N180-K184 WeakPolarHBondContact OD1-CD 3.33Å; N180-K184 WeakPolarHBondContact OD1-CE 3.44Å; N180-K184 PolarHBondContact OD1-NZ 2.94Å; K184-C186 PolarHBondContact O-N 3.49Å
185E74Confident74.4Confident36 Ų3662.9 Ų62.917%0.16835%0.35CS..THydrogen-bonded Turntrans-82.76.1-179.4-72.9164177.100113K47 V181 P187 G317 V321K47-E185 IonicContact NZ-OE1 3.34Å; K47-E185 PolarHBondContact NZ-OE1 3.45Å; V181-E185 VanDerWaalsContact O-CB 3.29Å; V181-E185 WeakPolarHBondContact O-CB 2.85Å; V181-E185 VanDerWaalsContact O-CD 3.24Å; V181-E185 WeakPolarHBondContact O-CG 3.34Å; V181-E185 PolarHBondContact O-N 3.37Å; V181-E185 VanDerWaalsContact O-N 3.08Å; E185-P187 WeakPolarHBondContact O-CD 3.06Å; E185-G317 WeakPolarHBondContact OE2-CA 3.44Å; E185-V321 HydrophobicContact CB-CG2 4.12Å
186C63.4Low73.8Confident64 Ų6463.1 Ų63.143%0.43235%0.354SS..  trans-61.5116.9174.4-160.40000110.7K184 T188K184-C186 PolarHBondContact O-N 3.49Å; C186-T188 PolarHBondContact O-N 2.75Å; C186-T188 VanDerWaalsContact O-N 3.11Å
187P57.5Low73.5Confident41 Ų4164.2 Ų64.227%0.26636%0.36SS..  trans-69.7114-169.819.2-23.4000110.8E185 D189 A190 V321E185-P187 WeakPolarHBondContact O-CD 3.06Å; P187-D189 PolarHBondContact O-N 2.85Å; P187-A190 HydrophobicContact CB-CB 4.41Å; P187-V321 VanDerWaalsContact CD-CG1 3.43Å; P187-V321 HydrophobicContact CG-CG1 4.38Å
188T52.5Low73.1Confident127 Ų12773.1 Ų73.178%0.77940%0.399SS*.SBendtrans-69.697.5149.452.40000106.8C186 A190C186-T188 PolarHBondContact O-N 2.75Å; C186-T188 VanDerWaalsContact O-N 3.11Å; T188-A190 VanDerWaalsContact C-N 3.32Å; T188-A190 PolarHBondContact O-N 3.31Å
189D53.2Low73.1Confident154 Ų15474.3 Ų74.382%0.82441%0.406SS*.SBendtrans63.78.9163.4-50.1-34000119.6P187 W191P187-D189 PolarHBondContact O-N 2.85Å; D189-W191 PolarHBondContact O-N 3.45Å
190A52.3Low73.4Confident48 Ų4874.2 Ų74.240%0.39741%0.406SS..  trans-84102.3176.800000112.3P187 T188 S192 Q322P187-A190 HydrophobicContact CB-CB 4.41Å; T188-A190 VanDerWaalsContact C-N 3.32Å; T188-A190 PolarHBondContact O-N 3.31Å; A190-S192 PolarHBondContact O-N 2.96Å; A190-S192 VanDerWaalsContact O-N 3.15Å; A190-Q322 PolarHBondContact O-NE2 3.12Å
191W52.9Low73.9Confident258 Ų25873.6 Ų73.698%0.97740%0.402SS*.  trans-65107.1167.6-72.278.5000109.6D189D189-W191 PolarHBondContact O-N 3.45Å
192S56.3Low74.7Confident44 Ų4473 Ų7331%0.30840%0.398SS..  trans-69.5147.4176.2590000111.7A190 L194A190-S192 PolarHBondContact O-N 2.96Å; A190-S192 VanDerWaalsContact O-N 3.15Å; S192-L194 PolarHBondContact O-N 3.16Å
193S64.7Low75.5Confident123 Ų12373 Ų7386%0.8640%0.398SS*.SBendtrans-65.8-0.7175.850.60000115.4S195S193-S195 PolarHBondContact O-N 3.13Å
194L73.6Confident76.3Confident39 Ų3971 Ų7120%0.20439%0.386CS..  trans-80.8114.1-173.2-146.581.7000110.8S192 L196 L312 L323S192-L194 PolarHBondContact O-N 3.16Å; L194-L196 HydrophobicContact CB-CG 4.4Å; L194-L196 HydrophobicContact CD2-CD1 4.34Å; L194-L196 HydrophobicContact CD2-CD2 3.46Å; L194-L196 VanDerWaalsContact CD2-CD2 3.46Å; L194-L196 HydrophobicContact CD2-CG 3.89Å; L194-L196 HydrophobicContact CG-CD2 4.25Å; L194-L196 HydrophobicContact CG-CG 4.39Å; L194-L196 PolarHBondContact O-N 3.5Å; L194-L312 HydrophobicContact CD1-CD2 4.32Å; L194-L312 HydrophobicContact CD2-CD1 3.68Å; L194-L323 HydrophobicContact CD2-CD2 4.35Å
195S82.7Confident77Confident117 Ų11765 Ų6582%0.81836%0.361SS*.  trans-75.388.8173.160.80000110.2S193S193-S195 PolarHBondContact O-N 3.13Å
196L84.5Confident77.9Confident47 Ų4766.6 Ų66.625%0.24637%0.365CS..  trans-84.7144.7-179.2-71.1175.6000112.6L194 Y200 L323L194-L196 HydrophobicContact CB-CG 4.4Å; L194-L196 HydrophobicContact CD2-CD1 4.34Å; L194-L196 HydrophobicContact CD2-CD2 3.46Å; L194-L196 VanDerWaalsContact CD2-CD2 3.46Å; L194-L196 HydrophobicContact CD2-CG 3.89Å; L194-L196 HydrophobicContact CG-CD2 4.25Å; L194-L196 HydrophobicContact CG-CG 4.39Å; L194-L196 PolarHBondContact O-N 3.5Å; L196-Y200 HydrophobicContact CB-CE1 4.46Å; L196-L323 HydrophobicContact CD1-CD2 4.19Å; L196-L323 HydrophobicContact CD2-CD2 3.52Å
197P89.2Confident79.3Confident26 Ų2663.5 Ų63.517%0.16934%0.344CS..  trans-59.6150.5169.1-20.432.2000111.5V199 Y200 S275 V277 V310P197-V199 PolarHBondContact O-N 3.38Å; P197-Y200 VanDerWaalsContact O-CD1 3.31Å; P197-Y200 WeakPolarHBondContact O-CD1 3.08Å; P197-S275 WeakPolarHBondContact CB-OG 3.33Å; P197-V277 HydrophobicContact CG-CG2 4.25Å; P197-V310 HydrophobicContact CG-CG2 4.21Å
198K87.5Confident80.9Confident188 Ų18864.4 Ų64.482%0.81734%0.342SS*.SBendtrans-63.9-39.1-178.7-173.4179.5179.4-178.70112.9
199V93.1Very high82.8Confident29 Ų2960.8 Ų60.818%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-132.5119.9178.4-177.30000107.7P197 L270 S273 V274 S275 L328 L389P197-V199 PolarHBondContact O-N 3.38Å; V199-L270 HydrophobicContact CG2-CD1 4.18Å; V199-S273 VanDerWaalsContact O-O 3.12Å; V199-V274 HydrophobicContact CB-CG2 4.43Å; V199-V274 HydrophobicContact CG1-CG2 4.08Å; V199-V274 WeakPolarHBondContact O-CA 3.09Å; V199-S275 PolarHBondContact O-N 3.09Å; V199-L328 HydrophobicContact CG1-CD2 4.3Å; V199-L389 HydrophobicContact CG1-CD1 4.13Å
200Y96.6Very high84.6Confident2 Ų258.4 Ų58.41%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-146.3147.8178.964.7-80.9000113.3L196 P197 L202 S275 V277 L323 H326 C327 L328L196-Y200 HydrophobicContact CB-CE1 4.46Å; P197-Y200 VanDerWaalsContact O-CD1 3.31Å; P197-Y200 WeakPolarHBondContact O-CD1 3.08Å; Y200-L202 HydrophobicContact CD2-CB 4.36Å; Y200-L202 HydrophobicContact CE2-CB 4.23Å; Y200-S275 WeakPolarHBondContact CA-O 3.36Å; Y200-S275 WeakPolarHBondContact CB-O 2.72Å; Y200-V277 HydrophobicContact CD2-CB 3.8Å; Y200-V277 HydrophobicContact CD2-CG2 3.44Å; Y200-V277 VanDerWaalsContact CD2-CG2 3.44Å; Y200-V277 HydrophobicContact CE2-CB 4.28Å; Y200-V277 HydrophobicContact CE2-CG2 4.06Å; Y200-V277 HydrophobicContact CG-CG2 3.73Å; Y200-L323 HydrophobicContact CE2-CD2 4.12Å; Y200-L323 VanDerWaalsContact OH-CA 3.31Å; Y200-L323 WeakPolarHBondContact OH-CA 3.43Å; Y200-L323 PolarHBondContact OH-O 2.85Å; Y200-H326 HydrophobicContact CE1-CB 4.16Å; Y200-H326 WeakPolarHBondContact OH-CB 3.15Å; Y200-C327 HydrophobicContact CD2-CB 3.89Å; Y200-C327 HydrophobicContact CE2-CB 3.38Å; Y200-C327 PolarHBondContact OH-N 3.4Å; Y200-L328 WeakPolarHBondContact O-CB 3.41Å; Y200-L328 PolarHBondContact O-N 3.25Å
201F98Very high86.5Confident0 Ų057.2 Ų57.20%029%0.294CS..EExtended strand (participates in β ladder)trans-84.9144.8160.4-67.7-82.3000108.9F223 V274 S275 L276 V277 L328 A329 L331 M385 L388 L389F201-F223 HydrophobicContact CE2-CZ 4.16Å; F201-V274 HydrophobicContact CD2-CG1 4.18Å; F201-V274 HydrophobicContact CE2-CG1 4.1Å; F201-S275 PolarHBondContact N-O 2.96Å; F201-L276 HydrophobicContact CB-CD1 4.13Å; F201-V277 PolarHBondContact O-N 2.82Å; F201-L328 HydrophobicContact CE1-CD2 4Å; F201-L328 HydrophobicContact CE1-CG 4.41Å; F201-L328 HydrophobicContact CE2-CD2 4.25Å; F201-L328 HydrophobicContact CZ-CD2 3.68Å; F201-A329 HydrophobicContact CD1-CB 3.91Å; F201-A329 HydrophobicContact CE1-CB 3.98Å; F201-L331 HydrophobicContact CB-CD1 3.93Å; F201-L331 HydrophobicContact CB-CG 4.08Å; F201-L331 HydrophobicContact CD1-CD2 4.05Å; F201-L331 HydrophobicContact CD1-CG 4.46Å; F201-M385 HydrophobicContact CD1-CG 3.89Å; F201-M385 HydrophobicContact CD1-SD 4.41Å; F201-M385 HydrophobicContact CD2-CG 4.26Å; F201-M385 HydrophobicContact CD2-SD 4.05Å; F201-M385 HydrophobicContact CE1-CB 3.99Å; F201-M385 HydrophobicContact CE1-CG 3.76Å; F201-M385 HydrophobicContact CE2-CB 3.99Å; F201-M385 HydrophobicContact CE2-CG 4.13Å; F201-M385 HydrophobicContact CE2-SD 4.36Å; F201-M385 HydrophobicContact CG-CG 4.14Å; F201-M385 HydrophobicContact CG-SD 4.08Å; F201-M385 HydrophobicContact CZ-CB 3.67Å; F201-M385 HydrophobicContact CZ-CG 3.89Å; F201-M385 WeakPolarHBondContact CZ-O 3.48Å; F201-L388 HydrophobicContact CE1-CB 4.36Å; F201-L389 HydrophobicContact CZ-CB 4.43Å
202L98.4Very high88.5Confident0 Ų048.7 Ų48.70%026%0.262CS..EExtended strand (participates in β ladder)trans-113.3127-178.9177.564.4000110.1Y200 L204 V277 A279 L323 L324 C327 A329 L330 L331Y200-L202 HydrophobicContact CD2-CB 4.36Å; Y200-L202 HydrophobicContact CE2-CB 4.23Å; L202-L204 HydrophobicContact CD1-CB 4.35Å; L202-L204 HydrophobicContact CD2-CB 4.1Å; L202-L204 HydrophobicContact CD2-CD2 4.3Å; L202-L204 HydrophobicContact CG-CB 4Å; L202-V277 CarbonylContact C-O 3.56Å; L202-V277 WeakPolarHBondContact CA-O 3.25Å; L202-V277 HydrophobicContact CD1-CB 4.16Å; L202-V277 HydrophobicContact CD1-CG1 4.09Å; L202-A279 HydrophobicContact CD1-CB 4.3Å; L202-L323 HydrophobicContact CD1-CB 4.21Å; L202-L323 HydrophobicContact CD1-CD1 4.4Å; L202-L323 HydrophobicContact CD1-CD2 4.22Å; L202-L323 HydrophobicContact CD2-CB 3.94Å; L202-L324 HydrophobicContact CD2-CD2 3.92Å; L202-L324 HydrophobicContact CD2-CG 4.37Å; L202-C327 HydrophobicContact CB-CB 3.67Å; L202-C327 HydrophobicContact CD2-CB 4.32Å; L202-A329 PolarHBondContact N-O 3.45Å; L202-L330 HydrophobicContact CB-CD1 4.31Å; L202-L330 HydrophobicContact CD2-CD1 4.02Å; L202-L330 HydrophobicContact CG-CD1 3.98Å; L202-L330 CarbonylContact O-C 3.58Å; L202-L330 WeakPolarHBondContact O-CA 3.06Å; L202-L330 WeakPolarHBondContact O-CD1 3.34Å; L202-L331 PolarHBondContact O-N 2.73Å
203S97.9Very high90.4Very high1 Ų146.9 Ų46.91%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-105.3114.3159.9-169.60000108.1V277 V278 A279 L331S203-V277 PolarHBondContact N-O 3.48Å; S203-V278 WeakPolarHBondContact O-CA 3.27Å; S203-A279 PolarHBondContact O-N 3.19Å; S203-L331 PolarHBondContact OG-O 3.34Å
204L95.7Very high92Very high11 Ų1143.1 Ų43.16%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-122.1101.7-175.2177.964000110.1L202 A279 I315 K320 L324 L330 T342L202-L204 HydrophobicContact CD1-CB 4.35Å; L202-L204 HydrophobicContact CD2-CB 4.1Å; L202-L204 HydrophobicContact CD2-CD2 4.3Å; L202-L204 HydrophobicContact CG-CB 4Å; L204-A279 VanDerWaalsContact CA-O 3.3Å; L204-A279 WeakPolarHBondContact CA-O 3.32Å; L204-A279 HydrophobicContact CD1-CB 3.92Å; L204-I315 HydrophobicContact CD1-CD1 3.84Å; L204-K320 HydrophobicContact CD2-CD 4.41Å; L204-K320 HydrophobicContact CD2-CG 3.87Å; L204-L324 HydrophobicContact CD2-CD1 4.16Å; L204-L324 HydrophobicContact CD2-CD2 3.92Å; L204-L324 HydrophobicContact CD2-CG 4.02Å; L204-L330 HydrophobicContact CB-CD1 3.8Å; L204-T342 HydrophobicContact CB-CG2 3.83Å; L204-T342 HydrophobicContact CD2-CG2 3.72Å; L204-T342 HydrophobicContact CG-CG2 3.81Å; L204-T342 WeakPolarHBondContact O-CG2 3.48Å
205N93.2Very high93.1Very high11 Ų1141.9 Ų41.96%0.05921%0.212CC..SBendtrans-157.9163.4-175.7-77.7-71.8000110.5K211 A279 G280 Y332N205-K211 HydrophobicContact CB-CB 3.96Å; N205-K211 HydrophobicContact CB-CD 4.25Å; N205-K211 HydrophobicContact CB-CG 3.97Å; N205-A279 PolarHBondContact N-O 2.74Å; N205-G280 WeakPolarHBondContact O-CA 3.45Å; N205-Y332 WeakPolarHBondContact OD1-CE2 3.4Å
206R92.1Very high93.8Very high68 Ų6836.3 Ų36.326%0.25717%0.173SC..  trans-59.3143.8164-52.8-170.4-68.1-141.7-2.5109.9W11 W208 K211 S281W11-R206 VanDerWaalsContact CE2-NH1 3.34Å; W11-R206 VanDerWaalsContact CH2-CD 3.45Å; W11-R206 VanDerWaalsContact CH2-CZ 3.47Å; R206-W208 VanDerWaalsContact C-N 3.3Å; R206-W208 HydrophobicContact CB-CB 4.46Å; R206-W208 PolarHBondContact O-N 3.01Å; R206-K211 WeakPolarHBondContact O-CG 3.44Å; R206-S281 WeakPolarHBondContact CG-OG 3.26Å
207Y93.5Very high94.4Very high0 Ų034 Ų340%016%0.161CC..SBendtrans-71.590.3170.1-74.1-87.5000109I213 V278 G280 S281 V282 S289 V292 V293 L296 F311 L312 Q313Y207-I213 HydrophobicContact CD1-CD1 4.21Å; Y207-V278 HydrophobicContact CE1-CG1 3.97Å; Y207-V278 PolarHBondContact OH-O 3.34Å; Y207-V278 VanDerWaalsContact OH-O 3.13Å; Y207-G280 WeakPolarHBondContact CE2-O 3.33Å; Y207-S281 PolarHBondContact N-O 3.34Å; Y207-V282 HydrophobicContact CD2-CG2 3.4Å; Y207-V282 VanDerWaalsContact CD2-CG2 3.4Å; Y207-V282 HydrophobicContact CE2-CG2 4.03Å; Y207-V282 HydrophobicContact CG-CG2 3.95Å; Y207-S289 WeakPolarHBondContact O-CA 3.32Å; Y207-S289 PolarHBondContact O-OG 2.99Å; Y207-V292 HydrophobicContact CD1-CG1 4.45Å; Y207-V293 HydrophobicContact CD1-CG2 3.64Å; Y207-V293 HydrophobicContact CD2-CG2 4.2Å; Y207-V293 HydrophobicContact CE1-CG2 4.19Å; Y207-V293 HydrophobicContact CG-CG2 3.63Å; Y207-L296 HydrophobicContact CD1-CD1 3.76Å; Y207-L296 HydrophobicContact CE1-CD1 3.91Å; Y207-F311 HydrophobicContact CE1-CD1 4.3Å; Y207-L312 WeakPolarHBondContact CE2-O 3.28Å; Y207-L312 PolarHBondContact OH-O 3.46Å; Y207-Q313 HydrophobicContact CE2-CG 3.92Å
208W92.2Very high94.7Very high60 Ų6034 Ų3423%0.22716%0.162CC..  trans-146.6142.3-173.4-158.6-97000110.7R206 D210 K211 M286 I288R206-W208 VanDerWaalsContact C-N 3.3Å; R206-W208 HydrophobicContact CB-CB 4.46Å; R206-W208 PolarHBondContact O-N 3.01Å; W208-D210 VanDerWaalsContact C-N 3.3Å; W208-D210 PolarHBondContact O-N 3.41Å; W208-K211 HydrophobicContact CB-CG 4.1Å; W208-K211 WeakPolarHBondContact O-CB 3.42Å; W208-K211 PolarHBondContact O-N 3.21Å; W208-M286 HydrophobicContact CH2-CB 4.4Å; W208-M286 HydrophobicContact CH2-CG 4.32Å; W208-M286 HydrophobicContact CH2-SD 4.44Å; W208-M286 HydrophobicContact CZ3-CB 4.08Å; W208-M286 HydrophobicContact CZ3-CG 4.26Å; W208-I288 HydrophobicContact CE3-CG2 4.31Å; W208-I288 HydrophobicContact CH2-CG2 3.55Å; W208-I288 HydrophobicContact CZ2-CG2 4.06Å; W208-I288 HydrophobicContact CZ3-CG2 3.69Å
209P91.6Very high95.1Very high50 Ų5025.1 Ų25.133%0.32512%0.123SC..G310 helixtrans-56.2-41.1-174.1-26.935.5000113.7K211 R212 I288 V292P209-K211 PolarHBondContact O-N 3.03Å; P209-K211 VanDerWaalsContact O-N 3.12Å; P209-R212 VanDerWaalsContact O-CD 3.3Å; P209-R212 WeakPolarHBondContact O-CD 3.5Å; P209-R212 PolarHBondContact O-N 2.97Å; P209-I288 HydrophobicContact CG-CD1 3.96Å; P209-I288 HydrophobicContact CG-CG1 3.66Å; P209-V292 HydrophobicContact CG-CG2 3.68Å
210D89.9Confident95.2Very high105 Ų10523.7 Ų23.756%0.56112%0.115SC*.G310 helixtrans-65.1-18.4-178.5-57.9-29.3000113.5W208 R212 S334 P335W208-D210 VanDerWaalsContact C-N 3.3Å; W208-D210 PolarHBondContact O-N 3.41Å; D210-R212 PolarHBondContact O-N 3.05Å; D210-S334 PolarHBondContact O-OG 3.05Å; D210-P335 WeakPolarHBondContact O-CD 3.37Å
211K92.9Very high95Very high23 Ų2323.8 Ų23.810%0.112%0.116CC..G310 helixtrans-77.3-12.1177.2-58.9-58.1-176.7177.20112.8N205 R206 W208 P209 I213 Y332 T333 S334 E337N205-K211 HydrophobicContact CB-CB 3.96Å; N205-K211 HydrophobicContact CB-CD 4.25Å; N205-K211 HydrophobicContact CB-CG 3.97Å; R206-K211 WeakPolarHBondContact O-CG 3.44Å; W208-K211 HydrophobicContact CB-CG 4.1Å; W208-K211 WeakPolarHBondContact O-CB 3.42Å; W208-K211 PolarHBondContact O-N 3.21Å; P209-K211 PolarHBondContact O-N 3.03Å; P209-K211 VanDerWaalsContact O-N 3.12Å; K211-I213 HydrophobicContact CB-CG1 4.26Å; K211-I213 PolarHBondContact O-N 3.35Å; K211-I213 VanDerWaalsContact O-N 3.14Å; K211-Y332 PolarHBondContact NZ-OH 3.49Å; K211-T333 CarbonylContact O-C 3.48Å; K211-T333 PolarHBondContact O-OG1 3.37Å; K211-S334 PolarHBondContact O-N 3.02Å; K211-E337 IonicContact NZ-OE2 3Å; K211-E337 PolarHBondContact NZ-OE2 3.22Å
212R95.4Very high94.5Very high79 Ų7926 Ų2630%0.29813%0.131SC..  trans48.343.2170.6-66.1-62.7-50-84.12113.9P209 D210 D214 I215 T333 P335 F376P209-R212 VanDerWaalsContact O-CD 3.3Å; P209-R212 WeakPolarHBondContact O-CD 3.5Å; P209-R212 PolarHBondContact O-N 2.97Å; D210-R212 PolarHBondContact O-N 3.05Å; R212-D214 WeakPolarHBondContact CA-OD1 3.48Å; R212-D214 IonicContact CZ-OD1 3.97Å; R212-D214 IonicContact CZ-OD2 3.22Å; R212-D214 VanDerWaalsContact CZ-OD2 3.32Å; R212-D214 IonicContact NE-OD1 2.84Å; R212-D214 PolarHBondContact NE-OD1 2.81Å; R212-D214 IonicContact NE-OD2 3.52Å; R212-D214 PolarHBondContact NE-OD2 3.09Å; R212-D214 VanDerWaalsContact NE-OD2 3.07Å; R212-D214 IonicContact NH2-OD1 2.92Å; R212-D214 IonicContact NH2-OD2 2.83Å; R212-D214 PolarHBondContact NH2-OD2 2.94Å; R212-D214 PolarHBondContact O-N 3.11Å; R212-I215 HydrophobicContact CB-CG1 4.23Å; R212-I215 WeakPolarHBondContact O-CB 3.43Å; R212-I215 PolarHBondContact O-N 3.41Å; R212-T333 WeakPolarHBondContact O-CB 3.22Å; R212-T333 PolarHBondContact O-OG1 2.74Å; R212-P335 HydrophobicContact CG-CG 3.96Å; R212-F376 HydrophobicContact CB-CE2 4.28Å; R212-F376 HydrophobicContact CB-CZ 4.07Å; R212-F376 HydrophobicContact CG-CZ 3.93Å; R212-F376 VanDerWaalsContact NH1-CZ 3.31Å
213I96.8Very high93.9Very high5 Ų526 Ų263%0.02613%0.131CC..Hα-helixtrans-60.7-24.7179.2-58.3171.8000110.7Y207 K211 I215 A216 L217 V278 L296Y207-I213 HydrophobicContact CD1-CD1 4.21Å; K211-I213 HydrophobicContact CB-CG1 4.26Å; K211-I213 PolarHBondContact O-N 3.35Å; K211-I213 VanDerWaalsContact O-N 3.14Å; I213-I215 PolarHBondContact O-N 3.41Å; I213-A216 WeakPolarHBondContact O-CA 3.45Å; I213-A216 WeakPolarHBondContact O-CB 3.5Å; I213-A216 PolarHBondContact O-N 2.8Å; I213-L217 PolarHBondContact O-N 2.79Å; I213-L217 VanDerWaalsContact O-N 3.08Å; I213-V278 HydrophobicContact CD1-CG1 4.34Å; I213-V278 HydrophobicContact CG2-CG1 3.62Å; I213-V278 HydrophobicContact CG2-CG2 4.23Å; I213-L296 HydrophobicContact CB-CD1 3.88Å; I213-L296 HydrophobicContact CB-CD2 3.94Å; I213-L296 HydrophobicContact CD1-CD1 4.06Å; I213-L296 HydrophobicContact CG2-CD1 3.83Å; I213-L296 HydrophobicContact CG2-CD2 3.99Å
214D97Very high93.1Very high44 Ų4427 Ų2724%0.23514%0.136CC..Hα-helixtrans-53.7-33.4170.360.4-62.8000112.9R212 L217 S218 L296 M299R212-D214 WeakPolarHBondContact CA-OD1 3.48Å; R212-D214 IonicContact CZ-OD1 3.97Å; R212-D214 IonicContact CZ-OD2 3.22Å; R212-D214 VanDerWaalsContact CZ-OD2 3.32Å; R212-D214 IonicContact NE-OD1 2.84Å; R212-D214 PolarHBondContact NE-OD1 2.81Å; R212-D214 IonicContact NE-OD2 3.52Å; R212-D214 PolarHBondContact NE-OD2 3.09Å; R212-D214 VanDerWaalsContact NE-OD2 3.07Å; R212-D214 IonicContact NH2-OD1 2.92Å; R212-D214 IonicContact NH2-OD2 2.83Å; R212-D214 PolarHBondContact NH2-OD2 2.94Å; R212-D214 PolarHBondContact O-N 3.11Å; D214-L217 PolarHBondContact O-N 3.27Å; D214-S218 WeakPolarHBondContact O-CB 3.39Å; D214-S218 PolarHBondContact O-N 3.36Å; D214-S218 PolarHBondContact O-OG 2.81Å; D214-L296 HydrophobicContact CB-CD2 4.32Å; D214-M299 HydrophobicContact CB-CE 3.99Å; D214-M299 HydrophobicContact CB-SD 3.61Å; D214-M299 WeakPolarHBondContact O-CE 3.45Å
215I96.7Very high92.2Very high13 Ų1332.8 Ų32.87%0.06716%0.158CC..Hα-helixtrans-69.6-37.3174.7-62.4-63.3000111.1R212 I213 S218 A219 T333 F376 P378 F381R212-I215 HydrophobicContact CB-CG1 4.23Å; R212-I215 WeakPolarHBondContact O-CB 3.43Å; R212-I215 PolarHBondContact O-N 3.41Å; I213-I215 PolarHBondContact O-N 3.41Å; I215-S218 PolarHBondContact O-N 3.47Å; I215-A219 WeakPolarHBondContact O-CB 3.01Å; I215-A219 PolarHBondContact O-N 2.62Å; I215-T333 HydrophobicContact CB-CG2 4.17Å; I215-T333 HydrophobicContact CG2-CG2 4.17Å; I215-F376 HydrophobicContact CB-CE2 4.47Å; I215-F376 HydrophobicContact CG1-CE2 3.77Å; I215-F376 HydrophobicContact CG1-CZ 4Å; I215-F376 HydrophobicContact CG2-CE2 4.48Å; I215-P378 HydrophobicContact CD1-CG 3.97Å; I215-F381 HydrophobicContact CG2-CD2 3.94Å; I215-F381 HydrophobicContact CG2-CE2 4.22Å; I215-F381 HydrophobicContact CG2-CG 4.48Å
216A97.2Very high91.1Very high0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-64.8-43.1175.700000110.8I213 F220 L276 L331 T333I213-A216 WeakPolarHBondContact O-CA 3.45Å; I213-A216 WeakPolarHBondContact O-CB 3.5Å; I213-A216 PolarHBondContact O-N 2.8Å; A216-F220 VanDerWaalsContact O-CB 3.26Å; A216-F220 WeakPolarHBondContact O-CB 3.2Å; A216-F220 PolarHBondContact O-N 2.86Å; A216-L276 HydrophobicContact CB-CD2 4.43Å; A216-L331 HydrophobicContact CB-CD1 4.34Å; A216-T333 HydrophobicContact CB-CG2 3.85Å
217L97.2Very high89.4Confident0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-62.5-49175.2-64.7-178.7000111.6I213 D214 A219 F220 A221 L276 V278 L296 M299 L303 I305 V309 F311I213-L217 PolarHBondContact O-N 2.79Å; I213-L217 VanDerWaalsContact O-N 3.08Å; D214-L217 PolarHBondContact O-N 3.27Å; L217-A219 PolarHBondContact O-N 2.96Å; L217-F220 PolarHBondContact O-N 2.92Å; L217-A221 PolarHBondContact O-N 2.88Å; L217-L276 HydrophobicContact CD2-CD2 3.85Å; L217-V278 HydrophobicContact CD2-CG2 4.32Å; L217-L296 HydrophobicContact CD1-CB 4.05Å; L217-L296 HydrophobicContact CD1-CD2 3.63Å; L217-L296 HydrophobicContact CD1-CG 4.44Å; L217-L296 WeakPolarHBondContact CD1-O 3.46Å; L217-L296 HydrophobicContact CG-CD2 4.47Å; L217-M299 HydrophobicContact CB-CE 4.27Å; L217-M299 HydrophobicContact CB-SD 4.36Å; L217-M299 HydrophobicContact CD1-CB 4.24Å; L217-M299 HydrophobicContact CD1-CG 4.22Å; L217-M299 HydrophobicContact CD1-SD 4.1Å; L217-L303 HydrophobicContact CB-CD1 4.36Å; L217-I305 HydrophobicContact CB-CD1 4.35Å; L217-I305 HydrophobicContact CD2-CD1 4.35Å; L217-V309 HydrophobicContact CD2-CG1 3.87Å; L217-V309 HydrophobicContact CD2-CG2 4.08Å; L217-F311 HydrophobicContact CD1-CZ 4.22Å; L217-F311 HydrophobicContact CD2-CE1 4.5Å; L217-F311 HydrophobicContact CD2-CZ 4.08Å
218S95.9Very high87Confident26 Ų2636.8 Ų36.818%0.18219%0.189CC..Hα-helixtrans-60.6-44.1178.2-57.70000111.9D214 I215 F220 A221 S222 M299D214-S218 WeakPolarHBondContact O-CB 3.39Å; D214-S218 PolarHBondContact O-N 3.36Å; D214-S218 PolarHBondContact O-OG 2.81Å; I215-S218 PolarHBondContact O-N 3.47Å; S218-F220 VanDerWaalsContact C-N 3.31Å; S218-F220 PolarHBondContact O-N 2.68Å; S218-A221 PolarHBondContact O-N 3.47Å; S218-S222 PolarHBondContact O-N 2.87Å; S218-S222 PolarHBondContact O-OG 3.4Å; S218-M299 WeakPolarHBondContact OG-CE 3.47Å
219A95.3Very high84.7Confident0 Ų037.6 Ų37.60%021%0.209CC..Hα-helixtrans-62.9-41.9177.500000110.9I215 L217 S222 F223 P378 F381 A382 M385I215-A219 WeakPolarHBondContact O-CB 3.01Å; I215-A219 PolarHBondContact O-N 2.62Å; L217-A219 PolarHBondContact O-N 2.96Å; A219-S222 PolarHBondContact O-N 2.88Å; A219-F223 WeakPolarHBondContact O-CB 3.21Å; A219-F223 PolarHBondContact O-N 2.91Å; A219-P378 WeakPolarHBondContact CA-O 3.43Å; A219-P378 HydrophobicContact CB-CB 4.43Å; A219-P378 WeakPolarHBondContact CB-O 3.49Å; A219-F381 HydrophobicContact CB-CB 3.53Å; A219-A382 HydrophobicContact CB-CB 4.47Å; A219-A382 WeakPolarHBondContact O-CB 3.35Å; A219-M385 VanDerWaalsContact C-CE 3.4Å; A219-M385 HydrophobicContact CB-CE 3.58Å; A219-M385 WeakPolarHBondContact O-CE 3.3Å
220F95.1Very high82Confident0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-67.3-39178.9-172.4-104.5000111.4A216 L217 S218 F223 Q224 V274 L276 I305 K308 V309 M385A216-F220 VanDerWaalsContact O-CB 3.26Å; A216-F220 WeakPolarHBondContact O-CB 3.2Å; A216-F220 PolarHBondContact O-N 2.86Å; L217-F220 PolarHBondContact O-N 2.92Å; S218-F220 VanDerWaalsContact C-N 3.31Å; S218-F220 PolarHBondContact O-N 2.68Å; F220-F223 HydrophobicContact CD2-CD1 4.17Å; F220-F223 HydrophobicContact CE2-CD1 4.24Å; F220-F223 HydrophobicContact CE2-CE1 4.31Å; F220-F223 WeakPolarHBondContact O-CB 3.14Å; F220-F223 PolarHBondContact O-N 2.87Å; F220-Q224 HydrophobicContact CD1-CG 4.1Å; F220-Q224 HydrophobicContact CE1-CG 3.82Å; F220-Q224 HydrophobicContact CZ-CG 4.11Å; F220-Q224 VanDerWaalsContact O-CG 3.27Å; F220-Q224 WeakPolarHBondContact O-CG 3.43Å; F220-Q224 PolarHBondContact O-N 2.99Å; F220-V274 HydrophobicContact CE2-CG1 4.1Å; F220-L276 HydrophobicContact CB-CB 4.48Å; F220-L276 HydrophobicContact CB-CD2 3.82Å; F220-L276 HydrophobicContact CD1-CB 3.97Å; F220-L276 HydrophobicContact CD1-CD2 4.47Å; F220-L276 HydrophobicContact CD2-CB 3.82Å; F220-L276 HydrophobicContact CE1-CB 4.09Å; F220-L276 HydrophobicContact CE2-CB 3.94Å; F220-L276 HydrophobicContact CG-CB 3.83Å; F220-L276 HydrophobicContact CG-CD2 4.07Å; F220-L276 HydrophobicContact CZ-CB 4.08Å; F220-I305 HydrophobicContact CD1-CB 4.47Å; F220-I305 HydrophobicContact CD1-CD1 4.13Å; F220-K308 HydrophobicContact CE1-CB 3.76Å; F220-K308 HydrophobicContact CZ-CB 4.11Å; F220-V309 HydrophobicContact CD1-CG2 4.26Å; F220-V309 HydrophobicContact CE1-CG2 4.39Å; F220-M385 HydrophobicContact CD2-SD 4.37Å
221A92.3Very high79.1Confident3 Ų344.9 Ų44.93%0.02525%0.246CC..Hα-helixtrans-60.4-52.5171.700000111.5L217 S218 F223 Q224 Y225 L303 I305L217-A221 PolarHBondContact O-N 2.88Å; S218-A221 PolarHBondContact O-N 3.47Å; A221-F223 PolarHBondContact O-N 3.28Å; A221-Q224 WeakPolarHBondContact O-CA 3.41Å; A221-Q224 WeakPolarHBondContact O-CB 3.48Å; A221-Q224 PolarHBondContact O-N 2.91Å; A221-Y225 HydrophobicContact CB-CD2 4.4Å; A221-Y225 HydrophobicContact CB-CE2 4.15Å; A221-Y225 WeakPolarHBondContact O-CD2 3.28Å; A221-Y225 PolarHBondContact O-N 3.32Å; A221-L303 HydrophobicContact CB-CB 4.06Å; A221-L303 HydrophobicContact CB-CD1 4.01Å; A221-L303 HydrophobicContact CB-CD2 4.14Å; A221-L303 HydrophobicContact CB-CG 4.31Å; A221-I305 HydrophobicContact CB-CD1 4.27Å; A221-I305 HydrophobicContact CB-CG2 4.03Å
222S88Confident76.1Confident47 Ų4749.2 Ų49.233%0.32927%0.274SS..Hα-helixtrans-57-39.4176.8-65.60000112.5S218 A219 A226S218-S222 PolarHBondContact O-N 2.87Å; S218-S222 PolarHBondContact O-OG 3.4Å; A219-S222 PolarHBondContact O-N 2.88Å; S222-A226 PolarHBondContact O-N 3.08Å
223F85.4Confident73Confident0 Ų052.3 Ų52.30%030%0.295CS..Hα-helixtrans-60.7-48.9172170.8-93.5000111F201 A219 F220 A221 Y225 A226 L259 L262 W271 V274 A382 M385 A386 L389F201-F223 HydrophobicContact CE2-CZ 4.16Å; A219-F223 WeakPolarHBondContact O-CB 3.21Å; A219-F223 PolarHBondContact O-N 2.91Å; F220-F223 HydrophobicContact CD2-CD1 4.17Å; F220-F223 HydrophobicContact CE2-CD1 4.24Å; F220-F223 HydrophobicContact CE2-CE1 4.31Å; F220-F223 WeakPolarHBondContact O-CB 3.14Å; F220-F223 PolarHBondContact O-N 2.87Å; A221-F223 PolarHBondContact O-N 3.28Å; F223-Y225 PolarHBondContact O-N 3.43Å; F223-A226 VanDerWaalsContact O-CB 3.25Å; F223-A226 WeakPolarHBondContact O-CB 3.31Å; F223-A226 PolarHBondContact O-N 3.46Å; F223-A226 VanDerWaalsContact O-N 3.1Å; F223-L259 HydrophobicContact CD2-CD2 4.22Å; F223-L262 HydrophobicContact CD2-CD1 4.2Å; F223-L262 HydrophobicContact CE2-CD1 3.49Å; F223-L262 VanDerWaalsContact CE2-CD1 3.49Å; F223-L262 HydrophobicContact CZ-CD1 4.13Å; F223-W271 AromaticContact CD1-CH2 3.52Å; F223-W271 HydrophobicContact CD1-CH2 3.52Å; F223-W271 HydrophobicContact CD1-CZ2 4.28Å; F223-W271 AromaticContact CD1-CZ3 3.96Å; F223-W271 HydrophobicContact CD1-CZ3 3.96Å; F223-W271 HydrophobicContact CD2-CH2 4.07Å; F223-W271 HydrophobicContact CD2-CZ3 4.37Å; F223-W271 HydrophobicContact CE1-CE3 4.24Å; F223-W271 AromaticContact CE1-CH2 3.38Å; F223-W271 HydrophobicContact CE1-CH2 3.38Å; F223-W271 HydrophobicContact CE1-CZ2 4.32Å; F223-W271 AromaticContact CE1-CZ3 3.3Å; F223-W271 HydrophobicContact CE1-CZ3 3.3Å; F223-W271 AromaticContact CE2-CH2 3.96Å; F223-W271 HydrophobicContact CE2-CH2 3.96Å; F223-W271 AromaticContact CE2-CZ3 3.79Å; F223-W271 HydrophobicContact CE2-CZ3 3.79Å; F223-W271 AromaticContact CG-CH2 3.88Å; F223-W271 HydrophobicContact CG-CH2 3.88Å; F223-W271 HydrophobicContact CG-CZ3 4.45Å; F223-W271 HydrophobicContact CZ-CE3 4.27Å; F223-W271 AromaticContact CZ-CH2 3.65Å; F223-W271 HydrophobicContact CZ-CH2 3.65Å; F223-W271 AromaticContact CZ-CZ3 3.23Å; F223-W271 HydrophobicContact CZ-CZ3 3.23Å; F223-W271 WeakPolarHBondContact O-CH2 3.27Å; F223-W271 WeakPolarHBondContact O-CZ2 3.34Å; F223-V274 HydrophobicContact CE1-CG1 3.82Å; F223-V274 HydrophobicContact CZ-CG1 4.21Å; F223-A382 HydrophobicContact CB-CB 4.27Å; F223-M385 HydrophobicContact CB-CE 4Å; F223-M385 HydrophobicContact CD2-CB 3.9Å; F223-M385 HydrophobicContact CE2-CB 3.97Å; F223-M385 HydrophobicContact CG-CE 4.42Å; F223-A386 HydrophobicContact CD2-CB 4.34Å; F223-A386 HydrophobicContact CE2-CB 4.29Å; F223-L389 HydrophobicContact CE2-CD2 4.39Å; F223-L389 HydrophobicContact CZ-CD2 3.77Å
224Q82.4Confident69.7Low23 Ų2358.2 Ų58.211%0.10733%0.326CS..Hα-helixtrans-61-39177.5-70.6-61.4-35.900113.6F220 A221 A226 W271 K308F220-Q224 HydrophobicContact CD1-CG 4.1Å; F220-Q224 HydrophobicContact CE1-CG 3.82Å; F220-Q224 HydrophobicContact CZ-CG 4.11Å; F220-Q224 VanDerWaalsContact O-CG 3.27Å; F220-Q224 WeakPolarHBondContact O-CG 3.43Å; F220-Q224 PolarHBondContact O-N 2.99Å; A221-Q224 WeakPolarHBondContact O-CA 3.41Å; A221-Q224 WeakPolarHBondContact O-CB 3.48Å; A221-Q224 PolarHBondContact O-N 2.91Å; Q224-A226 PolarHBondContact O-N 3.37Å; Q224-W271 VanDerWaalsContact CA-CZ2 3.45Å; Q224-W271 VanDerWaalsContact OE1-NE1 3.16Å; Q224-K308 HydrophobicContact CG-CD 4.42Å
225Y76.9Confident66.6Low132 Ų13261.9 Ų61.952%0.51835%0.35SS..Hα-helixtrans-74.7-10.5176.4-70.1-64.1000113.8A221 F223 L227 R263 L303A221-Y225 HydrophobicContact CB-CD2 4.4Å; A221-Y225 HydrophobicContact CB-CE2 4.15Å; A221-Y225 WeakPolarHBondContact O-CD2 3.28Å; A221-Y225 PolarHBondContact O-N 3.32Å; F223-Y225 PolarHBondContact O-N 3.43Å; Y225-L227 PolarHBondContact O-N 2.93Å; Y225-R263 PolarHBondContact O-NH2 3.11Å; Y225-L303 PolarHBondContact OH-O 3.39Å
226A69Low63.6Low5 Ų569.6 Ų69.64%0.04139%0.39CS..  trans-70.732.7170.700000112.3S222 F223 Q224 L259 R263S222-A226 PolarHBondContact O-N 3.08Å; F223-A226 VanDerWaalsContact O-CB 3.25Å; F223-A226 WeakPolarHBondContact O-CB 3.31Å; F223-A226 PolarHBondContact O-N 3.46Å; F223-A226 VanDerWaalsContact O-N 3.1Å; Q224-A226 PolarHBondContact O-N 3.37Å; A226-L259 HydrophobicContact CB-CB 4.14Å; A226-L259 HydrophobicContact CB-CD2 3.73Å; A226-L259 HydrophobicContact CB-CG 4.42Å; A226-R263 WeakPolarHBondContact O-CD 3.32Å; A226-R263 WeakPolarHBondContact O-CG 3.34Å; A226-R263 PolarHBondContact O-NE 3.09Å
227L55.9Low60.5Low67 Ų6774 Ų7435%0.35142%0.421SS..SBendtrans-102.3151.2158.9-89.3168.4000109.8Y225 A229 R263 W271Y225-L227 PolarHBondContact O-N 2.93Å; L227-A229 PolarHBondContact O-N 3.18Å; L227-R263 PolarHBondContact O-NH2 2.79Å; L227-W271 HydrophobicContact CD1-CG 4.13Å
228P44.4Very low57.3Low90 Ų9081.2 Ų81.258%0.58446%0.459SS*.  trans-64.8105.9159.7-6.623.7000106.9R230P228-R230 PolarHBondContact O-N 2.9Å
229A42.5Very low54.2Low77 Ų7788.2 Ų88.264%0.63649%0.494SS*.  trans-52.6135.4164.400000107.9L227 G231L227-A229 PolarHBondContact O-N 3.18Å; A229-G231 PolarHBondContact O-N 3.42Å
230R34.9Very low51.1Low232 Ų23293.7 Ų93.788%0.87553%0.532SS*.THydrogen-bonded Turntrans-47.2116.1166.5-78.5174.1165.1176.3-7.2108.5P228 V232P228-R230 PolarHBondContact O-N 2.9Å; R230-V232 PolarHBondContact O-N 3.02Å
231G29.3Very low48.1Very low76 Ų7699.4 Ų99.478%0.78457%0.569SS**THydrogen-bonded Turntrans63.841.1152.900000118.8A229A229-G231 PolarHBondContact O-N 3.42Å
232V31.3Very low45.3Very low114 Ų114105.1 Ų105.169%0.69161%0.609SS**  trans-114.570.2157.4-169.50000109R230R230-V232 PolarHBondContact O-N 3.02Å
233I28.6Very low42.6Very low144 Ų144112.4 Ų112.474%0.73864%0.635SS**  trans-83133.2148.2-65.5171.2000103.9
234D27.8Very low40.1Very low129 Ų129121 Ų12169%0.6968%0.675SS**SBendtrans89.365.4172.9-50.7-33000119.8
235T32Very low37.6Very low121 Ų121129.3 Ų129.374%0.74271%0.711SS**SBendtrans-161.219.2145.9-10.20000118.8
236I34.3Very low35.2Very low176 Ų176132.8 Ų132.890%0.90373%0.729SS**SBendtrans-130.642.9173.1-44.9180000111.7
237S33.3Very low33.3Very low92 Ų92137.3 Ų137.364%0.64377%0.766SS**SBendtrans-118.77.1172.249.60000113.9
238N29.7Very low31.9Very low151 Ų151140.4 Ų140.481%0.80779%0.788SS**  trans-121.932.2-174.7-81.9-21.3000115.9
239L30.7Very low31.3Very low174 Ų174144.2 Ų144.291%0.91180%0.802SS**  trans-119.381.7162.8-75.8163.7000109.2
240S30.1Very low30.5Very low114 Ų114150.2 Ų150.280%0.79781%0.814SS**PPolyproline II helixtrans-66.6155167.5-80.70000111.4
241P31.7Very low30.3Very low120 Ų120143 Ų14378%0.77980%0.804SS**PPolyproline II helixtrans-98.9135.1-145.335-30.5000113.9
242S33.9Very low30.5Very low123 Ų123144.1 Ų144.186%0.8680%0.798SS**PPolyproline II helixtrans-84.9118.7160.156.40000109.9E244S242-E244 PolarHBondContact O-N 3.41Å
243K29.7Very low30.5Very low200 Ų200149 Ų14987%0.8781%0.81SS**PPolyproline II helixtrans-48.1124.4177.3-63.3164.8176.4173.50112.4
244E33.1Very low31Very low182 Ų182151 Ų15185%0.8581%0.814SS**  trans-162.6116.1139.5-112.5167.2-170.100114.7S242S242-E244 PolarHBondContact O-N 3.41Å
245K31.2Very low31.8Very low196 Ų196148.7 Ų148.785%0.85280%0.804SS**  trans36.898.5151.2-69.7176.2178.5171.40121.3
246K26.3Very low32.9Very low206 Ų206149.6 Ų149.690%0.89680%0.795SS**  trans6.8113.9133.5-70.8179174.8178.40117.8
247A29.7Very low34.2Very low100 Ų100144.1 Ų144.183%0.82677%0.772SS**  trans-136105.8135.500000108.5L249A247-L249 PolarHBondContact O-N 2.77Å
248T26.1Very low36Very low132 Ų132142 Ų14281%0.8175%0.751SS**  trans-71.8105.2179.78.90000110.8
249L30.4Very low38Very low170 Ų170135.7 Ų135.789%0.8972%0.718SS**  trans-110.6106.1155.5-112.1120.8000107.4A247 A251A247-L249 PolarHBondContact O-N 2.77Å; L249-A251 PolarHBondContact O-N 3.29Å
250K27.2Very low39.8Very low202 Ų202133 Ų13388%0.87870%0.701SS**  trans-68.795.9171.5-76.1-177.3176.3-178.90108.4
251A30Very low41.6Very low81 Ų81133.9 Ų133.967%0.66969%0.686SS**  trans-68.7138.216100000108.9L249 F253L249-A251 PolarHBondContact O-N 3.29Å; A251-F253 PolarHBondContact O-N 2.83Å
252P32.7Very low43.4Very low100 Ų100128.3 Ų128.365%0.64965%0.65SS**  trans-64.8134.1-179.425.9-30.6000109.9F254P252-F254 PolarHBondContact O-N 2.98Å
253F32.8Very low45.1Very low217 Ų217127.9 Ų127.995%0.95263%0.629SS**THydrogen-bonded Turntrans-7032.1-175.2-154.5-98.4000113.7A251A251-F253 PolarHBondContact O-N 2.83Å
254F37.8Very low47.1Very low186 Ų186126.7 Ų126.782%0.81662%0.624SS**THydrogen-bonded Turntrans-1254.9-165-124.5-88.5000116.5P252P252-F254 PolarHBondContact O-N 2.98Å
255T45.7Very low49Very low80 Ų80123.2 Ų123.249%0.49161%0.611SS.*SBendtrans-121.445.2-160.1-28.40000114.9
256Y54.6Low51.1Low140 Ų140115 Ų11555%0.54958%0.577SS.*  trans-142.97.2174.3-58.7-70000114.7H258 Q379Y256-H258 VanDerWaalsContact C-N 3.27Å; Y256-H258 PolarHBondContact O-N 3.2Å; Y256-Q379 HydrophobicContact CD1-CG 4.39Å; Y256-Q379 HydrophobicContact CE1-CG 3.73Å
257C61.7Low53.4Low60 Ų60109.3 Ų109.341%0.40556%0.556SS.*Hα-helixtrans-68.4-24.5-170.565.10000113.6R261C257-R261 VanDerWaalsContact O-CB 3.29Å; C257-R261 WeakPolarHBondContact O-CB 3.33Å; C257-R261 WeakPolarHBondContact O-CD 3.4Å; C257-R261 WeakPolarHBondContact O-CG 3.35Å; C257-R261 PolarHBondContact O-N 2.88Å
258H71.8Confident55.6Low47 Ų47111 Ų11122%0.21855%0.545CS..Hα-helixtrans-77.7-44.7-174.9-68.5-64.1000112.8Y256 E260 R261 L262 A386Y256-H258 VanDerWaalsContact C-N 3.27Å; Y256-H258 PolarHBondContact O-N 3.2Å; H258-E260 VanDerWaalsContact C-N 3.33Å; H258-E260 PolarHBondContact O-N 3.41Å; H258-R261 PolarHBondContact O-N 2.91Å; H258-L262 VanDerWaalsContact O-CB 3.23Å; H258-L262 WeakPolarHBondContact O-CB 3.48Å; H258-L262 PolarHBondContact O-N 2.89Å; H258-A386 HydrophobicContact CB-CB 3.91Å
259L70.1Confident58Low19 Ų19110.9 Ų110.910%0.09954%0.54CS..Hα-helixtrans-64.5-38.5176-71168.3000111.9F223 A226 L262 R263 A382 D383 A386F223-L259 HydrophobicContact CD2-CD2 4.22Å; A226-L259 HydrophobicContact CB-CB 4.14Å; A226-L259 HydrophobicContact CB-CD2 3.73Å; A226-L259 HydrophobicContact CB-CG 4.42Å; L259-L262 WeakPolarHBondContact O-CB 3.11Å; L259-L262 PolarHBondContact O-N 3.16Å; L259-R263 PolarHBondContact O-N 3.15Å; L259-R263 VanDerWaalsContact O-N 3.14Å; L259-A382 HydrophobicContact CD1-CB 4.27Å; L259-A382 HydrophobicContact CD2-CB 4.46Å; L259-D383 VanDerWaalsContact CD1-OD1 3.25Å; L259-D383 WeakPolarHBondContact CD1-OD1 3.39Å; L259-D383 VanDerWaalsContact CG-OD1 3.27Å; L259-D383 WeakPolarHBondContact CG-OD1 3.5Å; L259-A386 HydrophobicContact CD2-CB 3.84Å; L259-A386 HydrophobicContact CG-CB 4.23Å
260E69.1Low60.4Low119 Ų119105.5 Ų105.556%0.55651%0.512SS*.Hα-helixtrans-66.5-36.8174.2-70.2-170.8170.300113.1H258 R263H258-E260 VanDerWaalsContact C-N 3.33Å; H258-E260 PolarHBondContact O-N 3.41Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å
261R67.3Low62.8Low131 Ų13196.2 Ų96.249%0.49447%0.471SS..Hα-helixtrans-68.2-39173.2-78.4174.269.4179.11.7111.4C257 H258 R263 K264 L265 L390C257-R261 VanDerWaalsContact O-CB 3.29Å; C257-R261 WeakPolarHBondContact O-CB 3.33Å; C257-R261 WeakPolarHBondContact O-CD 3.4Å; C257-R261 WeakPolarHBondContact O-CG 3.35Å; C257-R261 PolarHBondContact O-N 2.88Å; H258-R261 PolarHBondContact O-N 2.91Å; R261-R263 VanDerWaalsContact C-N 3.28Å; R261-R263 PolarHBondContact O-N 3.46Å; R261-K264 PolarHBondContact O-N 2.57Å; R261-L265 HydrophobicContact CB-CD1 4.2Å; R261-L265 WeakPolarHBondContact O-CB 3Å; R261-L265 WeakPolarHBondContact O-CG 3.3Å; R261-L265 PolarHBondContact O-N 3.38Å; R261-L390 HydrophobicContact CB-CD1 4.05Å
262L70.2Confident65.2Low3 Ų396.6 Ų96.62%0.01646%0.462CS..Hα-helixtrans-59.3-41.7179.6-175.3142.8000111.2F223 H258 L259 K264 L265 V266 W271 A386 L389 L390F223-L262 HydrophobicContact CD2-CD1 4.2Å; F223-L262 HydrophobicContact CE2-CD1 3.49Å; F223-L262 VanDerWaalsContact CE2-CD1 3.49Å; F223-L262 HydrophobicContact CZ-CD1 4.13Å; H258-L262 VanDerWaalsContact O-CB 3.23Å; H258-L262 WeakPolarHBondContact O-CB 3.48Å; H258-L262 PolarHBondContact O-N 2.89Å; L259-L262 WeakPolarHBondContact O-CB 3.11Å; L259-L262 PolarHBondContact O-N 3.16Å; L262-K264 PolarHBondContact O-N 3.42Å; L262-K264 VanDerWaalsContact O-N 3.13Å; L262-L265 PolarHBondContact O-N 2.92Å; L262-V266 HydrophobicContact CD1-CG2 4.41Å; L262-V266 HydrophobicContact CG-CB 4.49Å; L262-V266 HydrophobicContact CG-CG2 3.83Å; L262-V266 PolarHBondContact O-N 3.43Å; L262-W271 HydrophobicContact CD1-CH2 4.36Å; L262-W271 HydrophobicContact CD1-CZ3 3.85Å; L262-W271 HydrophobicContact CD2-CE3 3.95Å; L262-W271 HydrophobicContact CD2-CH2 3.3Å; L262-W271 HydrophobicContact CD2-CZ2 4.14Å; L262-W271 HydrophobicContact CD2-CZ3 3.22Å; L262-W271 HydrophobicContact CG-CH2 4.4Å; L262-W271 HydrophobicContact CG-CZ3 3.97Å; L262-A386 HydrophobicContact CB-CB 4.31Å; L262-A386 HydrophobicContact CD1-CB 3.54Å; L262-L389 HydrophobicContact CD1-CD2 4.09Å; L262-L390 HydrophobicContact CB-CD1 4.09Å
263R69.1Low67.6Low114 Ų11493.4 Ų93.443%0.4344%0.442SS..Hα-helixtrans-50.7-34.6170.9-77.7-179.5168176.3-4.9114.2Y225 A226 L227 L259 E260 R261Y225-R263 PolarHBondContact O-NH2 3.11Å; A226-R263 WeakPolarHBondContact O-CD 3.32Å; A226-R263 WeakPolarHBondContact O-CG 3.34Å; A226-R263 PolarHBondContact O-NE 3.09Å; L227-R263 PolarHBondContact O-NH2 2.79Å; L259-R263 PolarHBondContact O-N 3.15Å; L259-R263 VanDerWaalsContact O-N 3.14Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å; R261-R263 VanDerWaalsContact C-N 3.28Å; R261-R263 PolarHBondContact O-N 3.46Å
264K71.3Confident70.5Confident176 Ų17683 Ų8377%0.76540%0.396SS*.Hα-helixtrans-97.2-27.6-170.9-64.4179.4-177.3176.90113.2R261 L262R261-K264 PolarHBondContact O-N 2.57Å; L262-K264 PolarHBondContact O-N 3.42Å; L262-K264 VanDerWaalsContact O-N 3.13Å
265L73.9Confident73.3Confident108 Ų10875 Ų7557%0.56536%0.363SS*.Hα-helixtrans-108.3-25.9-166.6-64.7175.8000114.1R261 L262 L390R261-L265 HydrophobicContact CB-CD1 4.2Å; R261-L265 WeakPolarHBondContact O-CB 3Å; R261-L265 WeakPolarHBondContact O-CG 3.3Å; R261-L265 PolarHBondContact O-N 3.38Å; L262-L265 PolarHBondContact O-N 2.92Å; L265-L390 HydrophobicContact CB-CD2 3.94Å; L265-L390 HydrophobicContact CD1-CD2 4.32Å
266V74.6Confident75.7Confident24 Ų2471.2 Ų71.215%0.14534%0.34CS..SBendtrans-89.3123.2-175.51790000110.2L262 L270 W271 L389 L390L262-V266 HydrophobicContact CD1-CG2 4.41Å; L262-V266 HydrophobicContact CG-CB 4.49Å; L262-V266 HydrophobicContact CG-CG2 3.83Å; L262-V266 PolarHBondContact O-N 3.43Å; V266-L270 HydrophobicContact CG1-CB 4.12Å; V266-L270 HydrophobicContact CG1-CD2 4.08Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-W271 HydrophobicContact CG1-CB 4.14Å; V266-W271 HydrophobicContact CG1-CE3 4.16Å; V266-L389 HydrophobicContact CG1-CD2 4.39Å; V266-L389 HydrophobicContact CG2-CD2 4.25Å; V266-L390 HydrophobicContact CG2-CD2 3.58Å
267D75Confident77.8Confident86 Ų8664.5 Ų64.546%0.4631%0.314SS..  trans-66.8151.6174.479.274.7000111.3N269 L270 W271D267-N269 PolarHBondContact O-N 3.42Å; D267-N269 VanDerWaalsContact OD1-CA 3.29Å; D267-N269 WeakPolarHBondContact OD1-CA 3.46Å; D267-N269 VanDerWaalsContact OD1-CB 3.23Å; D267-N269 WeakPolarHBondContact OD1-CB 3.11Å; D267-N269 PolarHBondContact OD1-N 3.36Å; D267-L270 PolarHBondContact O-N 2.9Å; D267-L270 PolarHBondContact OD1-N 2.88Å; D267-L270 WeakPolarHBondContact OD2-CB 3.16Å; D267-W271 PolarHBondContact O-N 3.4Å
268K76.3Confident79.5Confident136 Ų13661.7 Ų61.759%0.59129%0.294SS*.Hα-helixtrans-61.9-29.2-175.9-170.3178.2178.9-175.80112.9N272K268-N272 WeakPolarHBondContact O-CB 3.23Å; K268-N272 PolarHBondContact O-N 3.27Å; K268-N272 PolarHBondContact O-ND2 3.44Å
269N77.4Confident80.7Confident129 Ų12959.4 Ų59.469%0.6928%0.284SS*.Hα-helixtrans-74.1-45.5-178.9-62.3-31.3000110.7D267 W271 N272 S273D267-N269 PolarHBondContact O-N 3.42Å; D267-N269 VanDerWaalsContact OD1-CA 3.29Å; D267-N269 WeakPolarHBondContact OD1-CA 3.46Å; D267-N269 VanDerWaalsContact OD1-CB 3.23Å; D267-N269 WeakPolarHBondContact OD1-CB 3.11Å; D267-N269 PolarHBondContact OD1-N 3.36Å; N269-W271 VanDerWaalsContact C-N 3.31Å; N269-W271 PolarHBondContact O-N 2.71Å; N269-N272 PolarHBondContact O-N 3.24Å; N269-S273 PolarHBondContact O-N 3.03Å; N269-S273 VanDerWaalsContact O-N 3.11Å
270L79.7Confident81.8Confident58 Ų5858.7 Ų58.730%0.30428%0.281SS..Hα-helixtrans-57.9-47.9172.4179.957.6000109.7V199 V266 D267 N272 S273 V274V199-L270 HydrophobicContact CG2-CD1 4.18Å; V266-L270 HydrophobicContact CG1-CB 4.12Å; V266-L270 HydrophobicContact CG1-CD2 4.08Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; D267-L270 PolarHBondContact O-N 2.9Å; D267-L270 PolarHBondContact OD1-N 2.88Å; D267-L270 WeakPolarHBondContact OD2-CB 3.16Å; L270-N272 VanDerWaalsContact C-N 3.34Å; L270-N272 PolarHBondContact O-N 2.97Å; L270-S273 WeakPolarHBondContact O-CA 3.29Å; L270-S273 WeakPolarHBondContact O-CB 3.45Å; L270-S273 PolarHBondContact O-N 3.06Å; L270-S273 PolarHBondContact O-OG 3.25Å; L270-V274 WeakPolarHBondContact O-CG2 3.5Å; L270-V274 PolarHBondContact O-N 3.47Å
271W76.8Confident82.8Confident7 Ų753.8 Ų53.83%0.02726%0.26CS..Hα-helixtrans-57.8-43.1178.5-170.9-108.4000114.5F223 Q224 L227 L262 V266 D267 N269 S273 V274 K308 L389F223-W271 AromaticContact CD1-CH2 3.52Å; F223-W271 HydrophobicContact CD1-CH2 3.52Å; F223-W271 HydrophobicContact CD1-CZ2 4.28Å; F223-W271 AromaticContact CD1-CZ3 3.96Å; F223-W271 HydrophobicContact CD1-CZ3 3.96Å; F223-W271 HydrophobicContact CD2-CH2 4.07Å; F223-W271 HydrophobicContact CD2-CZ3 4.37Å; F223-W271 HydrophobicContact CE1-CE3 4.24Å; F223-W271 AromaticContact CE1-CH2 3.38Å; F223-W271 HydrophobicContact CE1-CH2 3.38Å; F223-W271 HydrophobicContact CE1-CZ2 4.32Å; F223-W271 AromaticContact CE1-CZ3 3.3Å; F223-W271 HydrophobicContact CE1-CZ3 3.3Å; F223-W271 AromaticContact CE2-CH2 3.96Å; F223-W271 HydrophobicContact CE2-CH2 3.96Å; F223-W271 AromaticContact CE2-CZ3 3.79Å; F223-W271 HydrophobicContact CE2-CZ3 3.79Å; F223-W271 AromaticContact CG-CH2 3.88Å; F223-W271 HydrophobicContact CG-CH2 3.88Å; F223-W271 HydrophobicContact CG-CZ3 4.45Å; F223-W271 HydrophobicContact CZ-CE3 4.27Å; F223-W271 AromaticContact CZ-CH2 3.65Å; F223-W271 HydrophobicContact CZ-CH2 3.65Å; F223-W271 AromaticContact CZ-CZ3 3.23Å; F223-W271 HydrophobicContact CZ-CZ3 3.23Å; F223-W271 WeakPolarHBondContact O-CH2 3.27Å; F223-W271 WeakPolarHBondContact O-CZ2 3.34Å; Q224-W271 VanDerWaalsContact CA-CZ2 3.45Å; Q224-W271 VanDerWaalsContact OE1-NE1 3.16Å; L227-W271 HydrophobicContact CD1-CG 4.13Å; L262-W271 HydrophobicContact CD1-CH2 4.36Å; L262-W271 HydrophobicContact CD1-CZ3 3.85Å; L262-W271 HydrophobicContact CD2-CE3 3.95Å; L262-W271 HydrophobicContact CD2-CH2 3.3Å; L262-W271 HydrophobicContact CD2-CZ2 4.14Å; L262-W271 HydrophobicContact CD2-CZ3 3.22Å; L262-W271 HydrophobicContact CG-CH2 4.4Å; L262-W271 HydrophobicContact CG-CZ3 3.97Å; V266-W271 HydrophobicContact CG1-CB 4.14Å; V266-W271 HydrophobicContact CG1-CE3 4.16Å; D267-W271 PolarHBondContact O-N 3.4Å; N269-W271 VanDerWaalsContact C-N 3.31Å; N269-W271 PolarHBondContact O-N 2.71Å; W271-S273 PolarHBondContact O-N 3.38Å; W271-V274 PolarHBondContact O-N 3.07Å; W271-K308 PolarHBondContact O-NZ 3.17Å; W271-L389 HydrophobicContact CE3-CD2 4.21Å; W271-L389 HydrophobicContact CZ3-CD2 4.09Å
272N80.8Confident84Confident88 Ų8848.2 Ų48.247%0.47124%0.24SC..Hα-helixtrans-68-23.1177.4-73.9-15.6000112.5K268 N269 L270K268-N272 WeakPolarHBondContact O-CB 3.23Å; K268-N272 PolarHBondContact O-N 3.27Å; K268-N272 PolarHBondContact O-ND2 3.44Å; N269-N272 PolarHBondContact O-N 3.24Å; L270-N272 VanDerWaalsContact C-N 3.34Å; L270-N272 PolarHBondContact O-N 2.97Å
273S84.5Confident84.8Confident33 Ų3349.4 Ų49.423%0.23125%0.246CC..Hα-helixtrans-83.5-16.9177.277.50000114.3V199 N269 L270 W271 S275V199-S273 VanDerWaalsContact O-O 3.12Å; N269-S273 PolarHBondContact O-N 3.03Å; N269-S273 VanDerWaalsContact O-N 3.11Å; L270-S273 WeakPolarHBondContact O-CA 3.29Å; L270-S273 WeakPolarHBondContact O-CB 3.45Å; L270-S273 PolarHBondContact O-N 3.06Å; L270-S273 PolarHBondContact O-OG 3.25Å; W271-S273 PolarHBondContact O-N 3.38Å; S273-S275 PolarHBondContact O-N 3.42Å
274V93Very high85.6Confident0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-75.1122.7-178.4178.70000110.2V199 F201 F220 F223 L270 W271 L389V199-V274 HydrophobicContact CB-CG2 4.43Å; V199-V274 HydrophobicContact CG1-CG2 4.08Å; V199-V274 WeakPolarHBondContact O-CA 3.09Å; F201-V274 HydrophobicContact CD2-CG1 4.18Å; F201-V274 HydrophobicContact CE2-CG1 4.1Å; F220-V274 HydrophobicContact CE2-CG1 4.1Å; F223-V274 HydrophobicContact CE1-CG1 3.82Å; F223-V274 HydrophobicContact CZ-CG1 4.21Å; L270-V274 WeakPolarHBondContact O-CG2 3.5Å; L270-V274 PolarHBondContact O-N 3.47Å; W271-V274 PolarHBondContact O-N 3.07Å; V274-L389 HydrophobicContact CG2-CD1 3.81Å; V274-L389 HydrophobicContact CG2-CD2 3.95Å
275S95.8Very high86.2Confident17 Ų1748 Ų4812%0.11924%0.24CC..EExtended strand (participates in β ladder)trans-123.3165.4178.2-57.30000111.8P197 V199 Y200 F201 S273 K308P197-S275 WeakPolarHBondContact CB-OG 3.33Å; V199-S275 PolarHBondContact O-N 3.09Å; Y200-S275 WeakPolarHBondContact CA-O 3.36Å; Y200-S275 WeakPolarHBondContact CB-O 2.72Å; F201-S275 PolarHBondContact N-O 2.96Å; S273-S275 PolarHBondContact O-N 3.42Å; S275-K308 CarbonylContact C-O 3.56Å; S275-K308 VanDerWaalsContact CA-O 3.32Å; S275-K308 WeakPolarHBondContact CA-O 3.22Å; S275-K308 WeakPolarHBondContact CB-O 3.47Å
276L97.4Very high86.7Confident0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-111.2123.1166.617462.8000108.6F201 A216 L217 F220 V278 K308 V309 V310 L331F201-L276 HydrophobicContact CB-CD1 4.13Å; A216-L276 HydrophobicContact CB-CD2 4.43Å; L217-L276 HydrophobicContact CD2-CD2 3.85Å; F220-L276 HydrophobicContact CB-CB 4.48Å; F220-L276 HydrophobicContact CB-CD2 3.82Å; F220-L276 HydrophobicContact CD1-CB 3.97Å; F220-L276 HydrophobicContact CD1-CD2 4.47Å; F220-L276 HydrophobicContact CD2-CB 3.82Å; F220-L276 HydrophobicContact CE1-CB 4.09Å; F220-L276 HydrophobicContact CE2-CB 3.94Å; F220-L276 HydrophobicContact CG-CB 3.83Å; F220-L276 HydrophobicContact CG-CD2 4.07Å; F220-L276 HydrophobicContact CZ-CB 4.08Å; L276-V278 HydrophobicContact CD2-CG2 4.15Å; L276-V278 HydrophobicContact CG-CG2 4.03Å; L276-K308 PolarHBondContact N-O 3.05Å; L276-V309 HydrophobicContact CB-CG2 4.33Å; L276-V309 CarbonylContact O-C 3.6Å; L276-V309 VanDerWaalsContact O-CA 3.27Å; L276-V309 WeakPolarHBondContact O-CA 3.45Å; L276-V310 PolarHBondContact O-N 2.83Å; L276-L331 HydrophobicContact CD1-CD1 3.88Å
277V97.9Very high87.5Confident0 Ų048.2 Ų48.20%025%0.245CC..EExtended strand (participates in β ladder)trans-100.6122.2171.3-178.30000108.1P197 Y200 F201 L202 S203 V310 L312 L323P197-V277 HydrophobicContact CG-CG2 4.25Å; Y200-V277 HydrophobicContact CD2-CB 3.8Å; Y200-V277 HydrophobicContact CD2-CG2 3.44Å; Y200-V277 VanDerWaalsContact CD2-CG2 3.44Å; Y200-V277 HydrophobicContact CE2-CB 4.28Å; Y200-V277 HydrophobicContact CE2-CG2 4.06Å; Y200-V277 HydrophobicContact CG-CG2 3.73Å; F201-V277 PolarHBondContact O-N 2.82Å; L202-V277 CarbonylContact C-O 3.56Å; L202-V277 WeakPolarHBondContact CA-O 3.25Å; L202-V277 HydrophobicContact CD1-CB 4.16Å; L202-V277 HydrophobicContact CD1-CG1 4.09Å; S203-V277 PolarHBondContact N-O 3.48Å; V277-V310 WeakPolarHBondContact CA-O 3.3Å; V277-V310 HydrophobicContact CG2-CB 4.29Å; V277-L312 HydrophobicContact CG1-CD1 3.69Å; V277-L312 HydrophobicContact CG1-CG 4.29Å; V277-L323 HydrophobicContact CG1-CD2 3.78Å
278V97.8Very high88.2Confident0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-107.9113.3174.7-179.70000107.5S203 Y207 I213 L217 L276 V309 V310 F311 L312S203-V278 WeakPolarHBondContact O-CA 3.27Å; Y207-V278 HydrophobicContact CE1-CG1 3.97Å; Y207-V278 PolarHBondContact OH-O 3.34Å; Y207-V278 VanDerWaalsContact OH-O 3.13Å; I213-V278 HydrophobicContact CD1-CG1 4.34Å; I213-V278 HydrophobicContact CG2-CG1 3.62Å; I213-V278 HydrophobicContact CG2-CG2 4.23Å; L217-V278 HydrophobicContact CD2-CG2 4.32Å; L276-V278 HydrophobicContact CD2-CG2 4.15Å; L276-V278 HydrophobicContact CG-CG2 4.03Å; V278-V309 HydrophobicContact CG2-CG1 4.12Å; V278-V310 PolarHBondContact N-O 3.43Å; V278-F311 HydrophobicContact CB-CD1 3.68Å; V278-F311 HydrophobicContact CB-CE1 3.9Å; V278-F311 HydrophobicContact CG1-CD1 3.89Å; V278-F311 HydrophobicContact CG1-CE1 4.02Å; V278-F311 HydrophobicContact CG2-CD1 4.26Å; V278-F311 HydrophobicContact CG2-CE1 4Å; V278-F311 CarbonylContact O-C 3.52Å; V278-F311 WeakPolarHBondContact O-CA 3.25Å; V278-L312 PolarHBondContact O-N 3.49Å
279A96.4Very high88.9Confident0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-125.9140.5-176.700000111.4L202 S203 L204 N205 L312 I315 L323L202-A279 HydrophobicContact CD1-CB 4.3Å; S203-A279 PolarHBondContact O-N 3.19Å; L204-A279 VanDerWaalsContact CA-O 3.3Å; L204-A279 WeakPolarHBondContact CA-O 3.32Å; L204-A279 HydrophobicContact CD1-CB 3.92Å; N205-A279 PolarHBondContact N-O 2.74Å; A279-L312 WeakPolarHBondContact CA-O 3.44Å; A279-L312 HydrophobicContact CB-CB 4.03Å; A279-L312 HydrophobicContact CB-CD1 4.42Å; A279-I315 HydrophobicContact CB-CD1 4.06Å; A279-I315 HydrophobicContact CB-CG2 4.43Å; A279-L323 HydrophobicContact CB-CD1 3.75Å
280G93.5Very high89.7Confident3 Ų337.4 Ų37.43%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-176.3160.9-173.600000116.1N205 Y207 L312 Q313 N314N205-G280 WeakPolarHBondContact O-CA 3.45Å; Y207-G280 WeakPolarHBondContact CE2-O 3.33Å; G280-L312 PolarHBondContact N-O 2.82Å; G280-L312 VanDerWaalsContact N-O 3.13Å; G280-Q313 CarbonylContact O-C 3.46Å; G280-Q313 WeakPolarHBondContact O-CA 3.5Å; G280-N314 PolarHBondContact O-N 3.03Å
281S91.4Very high90.5Very high16 Ų1639 Ų3911%0.11220%0.201CC..  trans-81.7144168.555.50000111.2R206 Y207 N314R206-S281 WeakPolarHBondContact CG-OG 3.26Å; Y207-S281 PolarHBondContact N-O 3.34Å; S281-N314 VanDerWaalsContact CA-OD1 3.3Å; S281-N314 WeakPolarHBondContact CA-OD1 3.32Å
282V92Very high91.5Very high14 Ų1439.1 Ų39.19%0.08520%0.202CC..  trans-118.7118.1175.5-177.90000107.7Y207 K284 V290 V293 Q313 N314Y207-V282 HydrophobicContact CD2-CG2 3.4Å; Y207-V282 VanDerWaalsContact CD2-CG2 3.4Å; Y207-V282 HydrophobicContact CE2-CG2 4.03Å; Y207-V282 HydrophobicContact CG-CG2 3.95Å; V282-K284 PolarHBondContact O-N 2.83Å; V282-V290 HydrophobicContact CG1-CG2 4.16Å; V282-V293 HydrophobicContact CG1-CG2 4.22Å; V282-V293 HydrophobicContact CG2-CG2 3.61Å; V282-Q313 HydrophobicContact CG2-CB 4.05Å; V282-Q313 HydrophobicContact CG2-CG 3.88Å; V282-N314 PolarHBondContact N-OD1 3.04Å
283E85.7Confident92.2Very high28 Ų2835.5 Ų35.513%0.13118%0.183CC..  trans-87.3103.6177.6175.152.5-94.300109.7W11 R285 M286 S289W11-E283 HydrophobicContact CE3-CB 4.47Å; W11-E283 HydrophobicContact CZ3-CB 4.12Å; E283-R285 VanDerWaalsContact CD-NE 3.34Å; E283-R285 HydrophobicContact CG-CB 4.24Å; E283-R285 PolarHBondContact O-N 3.1Å; E283-R285 VanDerWaalsContact OE1-CB 3.26Å; E283-R285 WeakPolarHBondContact OE1-CB 3.13Å; E283-R285 VanDerWaalsContact OE1-CG 3.28Å; E283-R285 WeakPolarHBondContact OE1-CG 3.3Å; E283-R285 PolarHBondContact OE1-N 2.84Å; E283-R285 IonicContact OE1-NE 3.9Å; E283-R285 PolarHBondContact OE1-NE 3.22Å; E283-R285 VanDerWaalsContact OE1-NE 3.15Å; E283-R285 IonicContact OE2-CZ 2.72Å; E283-R285 IonicContact OE2-NE 2.93Å; E283-R285 PolarHBondContact OE2-NE 2.92Å; E283-R285 IonicContact OE2-NH2 3.32Å; E283-R285 PolarHBondContact OE2-NH2 3.2Å; E283-M286 HydrophobicContact CB-CB 4.18Å; E283-M286 HydrophobicContact CB-CG 4.23Å; E283-M286 HydrophobicContact CG-CB 3.82Å; E283-M286 HydrophobicContact CG-CG 3.47Å; E283-M286 VanDerWaalsContact CG-CG 3.47Å; E283-M286 PolarHBondContact O-N 3.06Å; E283-M286 VanDerWaalsContact O-O 3.12Å; E283-S289 PolarHBondContact N-OG 3.41Å; E283-S289 VanDerWaalsContact N-OG 3.11Å
284K86.5Confident92.8Very high170 Ų17039 Ų3974%0.73920%0.196SC*.THydrogen-bonded Turntrans-64.2-25.7-177.5-65.7-177.2179.8179.50113V282 M286V282-K284 PolarHBondContact O-N 2.83Å; K284-M286 PolarHBondContact O-N 2.8Å
285R84.3Confident93Very high91 Ų9144 Ų4434%0.34322%0.219SC..THydrogen-bonded Turntrans-70.3-17.2175-60.9176.8-66.1151.64.3112.5E9 H39 E283 P287E9-R285 IonicContact OE2-CZ 2.77Å; E9-R285 IonicContact OE2-NH1 3.99Å; E9-R285 PolarHBondContact OE2-NH1 2.84Å; E9-R285 IonicContact OE2-NH2 3.07Å; E9-R285 PolarHBondContact OE2-NH2 3.37Å; H39-R285 VanDerWaalsContact CD2-CZ 3.44Å; H39-R285 PolarHBondContact CD2-NH1 2.72Å; H39-R285 PolarHBondContact CD2-NH2 3.2Å; H39-R285 VanDerWaalsContact CD2-NH2 3.25Å; H39-R285 VanDerWaalsContact CG-NH1 3.34Å; E283-R285 VanDerWaalsContact CD-NE 3.34Å; E283-R285 HydrophobicContact CG-CB 4.24Å; E283-R285 PolarHBondContact O-N 3.1Å; E283-R285 VanDerWaalsContact OE1-CB 3.26Å; E283-R285 WeakPolarHBondContact OE1-CB 3.13Å; E283-R285 VanDerWaalsContact OE1-CG 3.28Å; E283-R285 WeakPolarHBondContact OE1-CG 3.3Å; E283-R285 PolarHBondContact OE1-N 2.84Å; E283-R285 IonicContact OE1-NE 3.9Å; E283-R285 PolarHBondContact OE1-NE 3.22Å; E283-R285 VanDerWaalsContact OE1-NE 3.15Å; E283-R285 IonicContact OE2-CZ 2.72Å; E283-R285 IonicContact OE2-NE 2.93Å; E283-R285 PolarHBondContact OE2-NE 2.92Å; E283-R285 IonicContact OE2-NH2 3.32Å; E283-R285 PolarHBondContact OE2-NH2 3.2Å; R285-P287 WeakPolarHBondContact O-CD 3.47Å
286M84.1Confident93.1Very high51 Ų5143.6 Ų43.625%0.25122%0.216SC..  trans-111.3102.1-175.1-66.5-7489.800110A63 W208 E283 K284 I288 S289A63-M286 HydrophobicContact CB-CE 3.81Å; A63-M286 HydrophobicContact CB-SD 4.3Å; W208-M286 HydrophobicContact CH2-CB 4.4Å; W208-M286 HydrophobicContact CH2-CG 4.32Å; W208-M286 HydrophobicContact CH2-SD 4.44Å; W208-M286 HydrophobicContact CZ3-CB 4.08Å; W208-M286 HydrophobicContact CZ3-CG 4.26Å; E283-M286 HydrophobicContact CB-CB 4.18Å; E283-M286 HydrophobicContact CB-CG 4.23Å; E283-M286 HydrophobicContact CG-CB 3.82Å; E283-M286 HydrophobicContact CG-CG 3.47Å; E283-M286 VanDerWaalsContact CG-CG 3.47Å; E283-M286 PolarHBondContact O-N 3.06Å; E283-M286 VanDerWaalsContact O-O 3.12Å; K284-M286 PolarHBondContact O-N 2.8Å; M286-I288 HydrophobicContact CB-CG2 4.23Å; M286-I288 PolarHBondContact O-N 3.35Å; M286-S289 WeakPolarHBondContact O-CB 3.5Å; M286-S289 PolarHBondContact O-N 3.27Å
287P91.2Very high93.1Very high86 Ų8646.7 Ų46.756%0.55823%0.23SC*.Hα-helixtrans-52.7-35-179.6-28.535.2000113.4R285 S289 V290 Q291R285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-S289 VanDerWaalsContact C-N 3.28Å; P287-S289 PolarHBondContact O-N 2.9Å; P287-V290 PolarHBondContact O-N 3.18Å; P287-Q291 VanDerWaalsContact O-CG 3.27Å; P287-Q291 WeakPolarHBondContact O-CG 3.48Å; P287-Q291 PolarHBondContact O-N 2.77Å
288I90.8Very high93.1Very high68 Ų6853 Ų5335%0.34925%0.254SS..Hα-helixtrans-59.8-36.2177.1-167.968.2000112.6W208 P209 M286 V292W208-I288 HydrophobicContact CE3-CG2 4.31Å; W208-I288 HydrophobicContact CH2-CG2 3.55Å; W208-I288 HydrophobicContact CZ2-CG2 4.06Å; W208-I288 HydrophobicContact CZ3-CG2 3.69Å; P209-I288 HydrophobicContact CG-CD1 3.96Å; P209-I288 HydrophobicContact CG-CG1 3.66Å; M286-I288 HydrophobicContact CB-CG2 4.23Å; M286-I288 PolarHBondContact O-N 3.35Å; I288-V292 VanDerWaalsContact O-CG2 3.29Å; I288-V292 WeakPolarHBondContact O-CG2 3.48Å; I288-V292 PolarHBondContact O-N 2.93Å; I288-V292 VanDerWaalsContact O-N 3.13Å
289S90.9Very high93.1Very high1 Ų155.1 Ų55.11%0.00726%0.264CS..Hα-helixtrans-69.6-40.1179.7-170.30000111.2Y207 E283 M286 P287Y207-S289 WeakPolarHBondContact O-CA 3.32Å; Y207-S289 PolarHBondContact O-OG 2.99Å; E283-S289 PolarHBondContact N-OG 3.41Å; E283-S289 VanDerWaalsContact N-OG 3.11Å; M286-S289 WeakPolarHBondContact O-CB 3.5Å; M286-S289 PolarHBondContact O-N 3.27Å; P287-S289 VanDerWaalsContact C-N 3.28Å; P287-S289 PolarHBondContact O-N 2.9Å
290V94.3Very high93.1Very high55 Ų5555.1 Ų55.133%0.33326%0.264SS..Hα-helixtrans-67.4-44176-178.30000111.1V282 P287 V292 V293 E294V282-V290 HydrophobicContact CG1-CG2 4.16Å; P287-V290 PolarHBondContact O-N 3.18Å; V290-V292 VanDerWaalsContact C-N 3.31Å; V290-V292 PolarHBondContact O-N 3.37Å; V290-V293 WeakPolarHBondContact O-CB 3.35Å; V290-V293 PolarHBondContact O-N 3.25Å; V290-V293 VanDerWaalsContact O-N 3.14Å; V290-E294 PolarHBondContact O-N 2.96Å
291Q96.2Very high93.3Very high91 Ų9160.9 Ų60.943%0.42529%0.29SS..Hα-helixtrans-61.2-37.4178.7-73.4170.21.100112.8P287 V293 E294 Q295P287-Q291 VanDerWaalsContact O-CG 3.27Å; P287-Q291 WeakPolarHBondContact O-CG 3.48Å; P287-Q291 PolarHBondContact O-N 2.77Å; Q291-V293 VanDerWaalsContact C-N 3.3Å; Q291-V293 PolarHBondContact O-N 2.83Å; Q291-E294 PolarHBondContact O-N 3.28Å; Q291-Q295 WeakPolarHBondContact O-CB 3.42Å; Q291-Q295 VanDerWaalsContact O-CG 3.27Å; Q291-Q295 WeakPolarHBondContact O-CG 3.29Å; Q291-Q295 PolarHBondContact O-N 2.75Å
292V96.5Very high93.5Very high9 Ų966.8 Ų66.86%0.05532%0.321CS..Hα-helixtrans-60.6-41.2176.1167.10000111.1Y207 P209 I288 V290 E294 Q295 L296Y207-V292 HydrophobicContact CD1-CG1 4.45Å; P209-V292 HydrophobicContact CG-CG2 3.68Å; I288-V292 VanDerWaalsContact O-CG2 3.29Å; I288-V292 WeakPolarHBondContact O-CG2 3.48Å; I288-V292 PolarHBondContact O-N 2.93Å; I288-V292 VanDerWaalsContact O-N 3.13Å; V290-V292 VanDerWaalsContact C-N 3.31Å; V290-V292 PolarHBondContact O-N 3.37Å; V292-E294 PolarHBondContact O-N 2.95Å; V292-Q295 PolarHBondContact O-N 2.82Å; V292-L296 HydrophobicContact CG1-CD1 3.74Å; V292-L296 HydrophobicContact CG1-CG 4.21Å; V292-L296 WeakPolarHBondContact O-CB 3.37Å; V292-L296 WeakPolarHBondContact O-CG 3.35Å; V292-L296 PolarHBondContact O-N 3.3Å
293V96.8Very high93.6Very high12 Ų1268.2 Ų68.27%0.07333%0.327CS..Hα-helixtrans-58.6-50.1176.7177.20000110.4Y207 V282 V290 Q291 Q295 L296 H297 Q313Y207-V293 HydrophobicContact CD1-CG2 3.64Å; Y207-V293 HydrophobicContact CD2-CG2 4.2Å; Y207-V293 HydrophobicContact CE1-CG2 4.19Å; Y207-V293 HydrophobicContact CG-CG2 3.63Å; V282-V293 HydrophobicContact CG1-CG2 4.22Å; V282-V293 HydrophobicContact CG2-CG2 3.61Å; V290-V293 WeakPolarHBondContact O-CB 3.35Å; V290-V293 PolarHBondContact O-N 3.25Å; V290-V293 VanDerWaalsContact O-N 3.14Å; Q291-V293 VanDerWaalsContact C-N 3.3Å; Q291-V293 PolarHBondContact O-N 2.83Å; V293-Q295 VanDerWaalsContact C-N 3.32Å; V293-Q295 PolarHBondContact O-N 2.98Å; V293-L296 PolarHBondContact O-N 3.41Å; V293-H297 PolarHBondContact O-N 2.8Å; V293-H297 VanDerWaalsContact O-N 3.08Å; V293-H297 PolarHBondContact O-ND1 2.99Å; V293-Q313 VanDerWaalsContact CG1-NE2 3.31Å
294E96.4Very high94Very high108 Ų10872.7 Ų72.751%0.50535%0.352SS..Hα-helixtrans-63-36.8179.8-65.2173.3178.600112.8V290 Q291 V292 R298V290-E294 PolarHBondContact O-N 2.96Å; Q291-E294 PolarHBondContact O-N 3.28Å; V292-E294 PolarHBondContact O-N 2.95Å; E294-R298 WeakPolarHBondContact O-CG 3.38Å; E294-R298 PolarHBondContact O-N 3.24Å; E294-R298 PolarHBondContact O-NE 3.35Å
295Q97.1Very high94.3Very high105 Ų10564.7 Ų64.749%0.49132%0.318SS..Hα-helixtrans-66.8-42.6175.9-73.8172.3-0.400111.8Q291 V292 V293 R298 M299Q291-Q295 WeakPolarHBondContact O-CB 3.42Å; Q291-Q295 VanDerWaalsContact O-CG 3.27Å; Q291-Q295 WeakPolarHBondContact O-CG 3.29Å; Q291-Q295 PolarHBondContact O-N 2.75Å; V292-Q295 PolarHBondContact O-N 2.82Å; V293-Q295 VanDerWaalsContact C-N 3.32Å; V293-Q295 PolarHBondContact O-N 2.98Å; Q295-R298 PolarHBondContact O-N 2.86Å; Q295-M299 VanDerWaalsContact O-CB 3.31Å; Q295-M299 WeakPolarHBondContact O-CB 3.45Å; Q295-M299 PolarHBondContact O-N 3.24Å
296L97.8Very high94.8Very high8 Ų863.3 Ų63.34%0.04232%0.322CS..Hα-helixtrans-67.8-36.9179.9-68.5170.9000112.5Y207 I213 D214 L217 V292 V293 M299 A300 F311Y207-L296 HydrophobicContact CD1-CD1 3.76Å; Y207-L296 HydrophobicContact CE1-CD1 3.91Å; I213-L296 HydrophobicContact CB-CD1 3.88Å; I213-L296 HydrophobicContact CB-CD2 3.94Å; I213-L296 HydrophobicContact CD1-CD1 4.06Å; I213-L296 HydrophobicContact CG2-CD1 3.83Å; I213-L296 HydrophobicContact CG2-CD2 3.99Å; D214-L296 HydrophobicContact CB-CD2 4.32Å; L217-L296 HydrophobicContact CD1-CB 4.05Å; L217-L296 HydrophobicContact CD1-CD2 3.63Å; L217-L296 HydrophobicContact CD1-CG 4.44Å; L217-L296 WeakPolarHBondContact CD1-O 3.46Å; L217-L296 HydrophobicContact CG-CD2 4.47Å; V292-L296 HydrophobicContact CG1-CD1 3.74Å; V292-L296 HydrophobicContact CG1-CG 4.21Å; V292-L296 WeakPolarHBondContact O-CB 3.37Å; V292-L296 WeakPolarHBondContact O-CG 3.35Å; V292-L296 PolarHBondContact O-N 3.3Å; V293-L296 PolarHBondContact O-N 3.41Å; L296-M299 PolarHBondContact O-N 3.05Å; L296-A300 PolarHBondContact O-N 2.91Å; L296-F311 HydrophobicContact CB-CE1 3.87Å; L296-F311 HydrophobicContact CB-CZ 4.14Å
297H97.6Very high95.2Very high64 Ų6467.2 Ų67.230%0.29634%0.344SS..Hα-helixtrans-63.4-50.6174.4-75.777.3000111V293 M299 A300 E301 F311V293-H297 PolarHBondContact O-N 2.8Å; V293-H297 VanDerWaalsContact O-N 3.08Å; V293-H297 PolarHBondContact O-ND1 2.99Å; H297-M299 VanDerWaalsContact C-N 3.3Å; H297-M299 PolarHBondContact O-N 3.29Å; H297-A300 PolarHBondContact O-N 3.02Å; H297-A300 VanDerWaalsContact O-N 3.1Å; H297-E301 PolarHBondContact O-N 2.7Å; H297-E301 VanDerWaalsContact O-N 3.09Å; H297-F311 AromaticContact CD2-CD2 3.72Å; H297-F311 AromaticContact CE1-CD2 3.81Å; H297-F311 AromaticContact CE1-CG 3.61Å; H297-F311 AromaticContact NE2-CD2 3.46Å; H297-F311 WeakPolarHBondContact NE2-CD2 3.5Å; H297-F311 AromaticContact NE2-CG 3.61Å
298R97.7Very high95.4Very high134 Ų13464.5 Ų64.551%0.50632%0.323SS..Hα-helixtrans-57.2-43.4175.6-75.4-176.6-73.9167-8.7112.2E294 Q295 A300 E301 D302E294-R298 WeakPolarHBondContact O-CG 3.38Å; E294-R298 PolarHBondContact O-N 3.24Å; E294-R298 PolarHBondContact O-NE 3.35Å; Q295-R298 PolarHBondContact O-N 2.86Å; R298-A300 VanDerWaalsContact C-N 3.32Å; R298-A300 PolarHBondContact O-N 2.96Å; R298-E301 WeakPolarHBondContact O-CB 3.32Å; R298-E301 PolarHBondContact O-N 3.26Å; R298-E301 VanDerWaalsContact O-N 3.15Å; R298-D302 VanDerWaalsContact O-CG 3.27Å; R298-D302 PolarHBondContact O-N 3.3Å
299M97.6Very high95.6Very high43 Ų4361.8 Ų61.821%0.21231%0.31CS..Hα-helixtrans-62.3-38.1177.2-176.8176.8-179.700112.6D214 L217 S218 Q295 L296 H297 E301 D302 L303D214-M299 HydrophobicContact CB-CE 3.99Å; D214-M299 HydrophobicContact CB-SD 3.61Å; D214-M299 WeakPolarHBondContact O-CE 3.45Å; L217-M299 HydrophobicContact CB-CE 4.27Å; L217-M299 HydrophobicContact CB-SD 4.36Å; L217-M299 HydrophobicContact CD1-CB 4.24Å; L217-M299 HydrophobicContact CD1-CG 4.22Å; L217-M299 HydrophobicContact CD1-SD 4.1Å; S218-M299 WeakPolarHBondContact OG-CE 3.47Å; Q295-M299 VanDerWaalsContact O-CB 3.31Å; Q295-M299 WeakPolarHBondContact O-CB 3.45Å; Q295-M299 PolarHBondContact O-N 3.24Å; L296-M299 PolarHBondContact O-N 3.05Å; H297-M299 VanDerWaalsContact C-N 3.3Å; H297-M299 PolarHBondContact O-N 3.29Å; M299-E301 VanDerWaalsContact C-N 3.32Å; M299-D302 PolarHBondContact O-N 3.03Å; M299-L303 HydrophobicContact CE-CD1 3.79Å; M299-L303 HydrophobicContact CG-CD1 3.83Å; M299-L303 HydrophobicContact CG-CG 4.38Å; M299-L303 VanDerWaalsContact O-CB 3.29Å; M299-L303 WeakPolarHBondContact O-CB 3.47Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 3.23Å
300A97.2Very high95.8Very high1 Ų164.2 Ų64.21%0.00833%0.325CS..Hα-helixtrans-67.4-33175.800000112.4L296 H297 R298 D304 I305 S306 F311L296-A300 PolarHBondContact O-N 2.91Å; H297-A300 PolarHBondContact O-N 3.02Å; H297-A300 VanDerWaalsContact O-N 3.1Å; R298-A300 VanDerWaalsContact C-N 3.32Å; R298-A300 PolarHBondContact O-N 2.96Å; A300-D304 PolarHBondContact O-N 3.24Å; A300-I305 HydrophobicContact CB-CG1 4.19Å; A300-I305 WeakPolarHBondContact O-CG1 3.47Å; A300-I305 PolarHBondContact O-N 3.3Å; A300-S306 PolarHBondContact O-N 3.44Å; A300-S306 VanDerWaalsContact O-N 3.14Å; A300-F311 HydrophobicContact CB-CE2 4.01Å; A300-F311 HydrophobicContact CB-CZ 4.13Å
301E97Very high95.9Very high124 Ų12463.4 Ų63.458%0.57932%0.317SS*.Hα-helixtrans-68.9-49.9171.9-67.5171.8-177.500111.3H297 R298 M299 L303 D304H297-E301 PolarHBondContact O-N 2.7Å; H297-E301 VanDerWaalsContact O-N 3.09Å; R298-E301 WeakPolarHBondContact O-CB 3.32Å; R298-E301 PolarHBondContact O-N 3.26Å; R298-E301 VanDerWaalsContact O-N 3.15Å; M299-E301 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.21Å; E301-D304 PolarHBondContact O-N 3.41Å
302D96.1Very high95.9Very high140 Ų14060.3 Ų60.375%0.74930%0.303SS*.Hα-helixtrans-60.7-31.5179.9-69.3-23.6000112.6R298 M299 D304R298-D302 VanDerWaalsContact O-CG 3.27Å; R298-D302 PolarHBondContact O-N 3.3Å; M299-D302 PolarHBondContact O-N 3.03Å; D302-D304 VanDerWaalsContact C-N 3.34Å
303L94.2Very high95.8Very high43 Ų4364.2 Ų64.223%0.22532%0.321CS..THydrogen-bonded Turntrans-85.1-2.8177.1-70.1173.6000114L217 A221 Y225 M299 E301 I305L217-L303 HydrophobicContact CB-CD1 4.36Å; A221-L303 HydrophobicContact CB-CB 4.06Å; A221-L303 HydrophobicContact CB-CD1 4.01Å; A221-L303 HydrophobicContact CB-CD2 4.14Å; A221-L303 HydrophobicContact CB-CG 4.31Å; Y225-L303 PolarHBondContact OH-O 3.39Å; M299-L303 HydrophobicContact CE-CD1 3.79Å; M299-L303 HydrophobicContact CG-CD1 3.83Å; M299-L303 HydrophobicContact CG-CG 4.38Å; M299-L303 VanDerWaalsContact O-CB 3.29Å; M299-L303 WeakPolarHBondContact O-CB 3.47Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 3.23Å; E301-L303 PolarHBondContact O-N 3.21Å; L303-I305 VanDerWaalsContact C-N 3.35Å; L303-I305 HydrophobicContact CB-CD1 4.22Å; L303-I305 HydrophobicContact CB-CG1 3.97Å; L303-I305 HydrophobicContact CD1-CD1 4.28Å; L303-I305 PolarHBondContact O-N 3.35Å
304D93.4Very high95.5Very high122 Ų12267.1 Ų67.165%0.65234%0.336SS*.THydrogen-bonded Turntrans55.842.8-175.4-165.435000113.5A300 E301 D302A300-D304 PolarHBondContact O-N 3.24Å; E301-D304 PolarHBondContact O-N 3.41Å; D302-D304 VanDerWaalsContact C-N 3.34Å
305I94Very high95.2Very high3 Ų363.1 Ų63.12%0.01532%0.318CS..  trans-123.62.1179.160.7170.3000113.5L217 F220 A221 A300 L303 N307 K308 V309L217-I305 HydrophobicContact CB-CD1 4.35Å; L217-I305 HydrophobicContact CD2-CD1 4.35Å; F220-I305 HydrophobicContact CD1-CB 4.47Å; F220-I305 HydrophobicContact CD1-CD1 4.13Å; A221-I305 HydrophobicContact CB-CD1 4.27Å; A221-I305 HydrophobicContact CB-CG2 4.03Å; A300-I305 HydrophobicContact CB-CG1 4.19Å; A300-I305 WeakPolarHBondContact O-CG1 3.47Å; A300-I305 PolarHBondContact O-N 3.3Å; L303-I305 VanDerWaalsContact C-N 3.35Å; L303-I305 HydrophobicContact CB-CD1 4.22Å; L303-I305 HydrophobicContact CB-CG1 3.97Å; L303-I305 HydrophobicContact CD1-CD1 4.28Å; L303-I305 PolarHBondContact O-N 3.35Å; I305-N307 PolarHBondContact O-N 3.1Å; I305-N307 VanDerWaalsContact O-N 3.11Å; I305-K308 CarbonylContact O-C 3.6Å; I305-K308 PolarHBondContact O-N 2.87Å; I305-V309 HydrophobicContact CB-CG2 4.27Å; I305-V309 HydrophobicContact CD1-CG2 3.78Å; I305-V309 HydrophobicContact CG1-CG2 3.93Å; I305-V309 WeakPolarHBondContact O-CG2 3.5Å; I305-V309 PolarHBondContact O-N 3.5Å
306S93.8Very high94.7Very high62 Ų6261.7 Ų61.743%0.43432%0.316SS..G310 helixtrans-54.7-32.5-175.658.60000113.4A300 K308 V309A300-S306 PolarHBondContact O-N 3.44Å; A300-S306 VanDerWaalsContact O-N 3.14Å; S306-K308 PolarHBondContact O-N 3.01Å; S306-V309 PolarHBondContact O-N 3.38Å
307N93.3Very high94.2Very high132 Ų13261.9 Ų61.971%0.70632%0.32SS*.G310 helixtrans-72.1-10.617668.7-24.9000114.9I305I305-N307 PolarHBondContact O-N 3.1Å; I305-N307 VanDerWaalsContact O-N 3.11Å
308K93.7Very high93.6Very high29 Ų2964.4 Ų64.413%0.12633%0.332CS..G310 helixtrans-119.53.3179.5-69.5-167.5176.2-167.40113.2F220 Q224 W271 S275 L276 I305 S306F220-K308 HydrophobicContact CE1-CB 3.76Å; F220-K308 HydrophobicContact CZ-CB 4.11Å; Q224-K308 HydrophobicContact CG-CD 4.42Å; W271-K308 PolarHBondContact O-NZ 3.17Å; S275-K308 CarbonylContact C-O 3.56Å; S275-K308 VanDerWaalsContact CA-O 3.32Å; S275-K308 WeakPolarHBondContact CA-O 3.22Å; S275-K308 WeakPolarHBondContact CB-O 3.47Å; L276-K308 PolarHBondContact N-O 3.05Å; I305-K308 CarbonylContact O-C 3.6Å; I305-K308 PolarHBondContact O-N 2.87Å; S306-K308 PolarHBondContact O-N 3.01Å
309V95.9Very high93.2Very high12 Ų1259.9 Ų59.97%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-113.1125.5177.4-177.60000109.4L217 F220 L276 V278 I305 S306 F311L217-V309 HydrophobicContact CD2-CG1 3.87Å; L217-V309 HydrophobicContact CD2-CG2 4.08Å; F220-V309 HydrophobicContact CD1-CG2 4.26Å; F220-V309 HydrophobicContact CE1-CG2 4.39Å; L276-V309 HydrophobicContact CB-CG2 4.33Å; L276-V309 CarbonylContact O-C 3.6Å; L276-V309 VanDerWaalsContact O-CA 3.27Å; L276-V309 WeakPolarHBondContact O-CA 3.45Å; V278-V309 HydrophobicContact CG2-CG1 4.12Å; I305-V309 HydrophobicContact CB-CG2 4.27Å; I305-V309 HydrophobicContact CD1-CG2 3.78Å; I305-V309 HydrophobicContact CG1-CG2 3.93Å; I305-V309 WeakPolarHBondContact O-CG2 3.5Å; I305-V309 PolarHBondContact O-N 3.5Å; S306-V309 PolarHBondContact O-N 3.38Å; V309-F311 HydrophobicContact CB-CE2 4.25Å; V309-F311 HydrophobicContact CG1-CD2 3.99Å; V309-F311 HydrophobicContact CG1-CE1 4.14Å; V309-F311 HydrophobicContact CG1-CE2 3.5Å; V309-F311 VanDerWaalsContact CG1-CE2 3.5Å; V309-F311 HydrophobicContact CG1-CZ 3.59Å
310V96.1Very high93Very high52 Ų5260 Ų6032%0.31532%0.316SS..EExtended strand (participates in β ladder)trans-108.6115.1175.2-177.60000108.7P197 L276 V277 V278 L312P197-V310 HydrophobicContact CG-CG2 4.21Å; L276-V310 PolarHBondContact O-N 2.83Å; V277-V310 WeakPolarHBondContact CA-O 3.3Å; V277-V310 HydrophobicContact CG2-CB 4.29Å; V278-V310 PolarHBondContact N-O 3.43Å; V310-L312 HydrophobicContact CG1-CD2 3.96Å; V310-L312 HydrophobicContact CG1-CG 4.13Å
311F96.5Very high92.7Very high37 Ų3760 Ų6016%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-92.9123.1174.2-67.1-80.9000110.7Y207 L217 V278 L296 H297 A300 V309Y207-F311 HydrophobicContact CE1-CD1 4.3Å; L217-F311 HydrophobicContact CD1-CZ 4.22Å; L217-F311 HydrophobicContact CD2-CE1 4.5Å; L217-F311 HydrophobicContact CD2-CZ 4.08Å; V278-F311 HydrophobicContact CB-CD1 3.68Å; V278-F311 HydrophobicContact CB-CE1 3.9Å; V278-F311 HydrophobicContact CG1-CD1 3.89Å; V278-F311 HydrophobicContact CG1-CE1 4.02Å; V278-F311 HydrophobicContact CG2-CD1 4.26Å; V278-F311 HydrophobicContact CG2-CE1 4Å; V278-F311 CarbonylContact O-C 3.52Å; V278-F311 WeakPolarHBondContact O-CA 3.25Å; L296-F311 HydrophobicContact CB-CE1 3.87Å; L296-F311 HydrophobicContact CB-CZ 4.14Å; H297-F311 AromaticContact CD2-CD2 3.72Å; H297-F311 AromaticContact CE1-CD2 3.81Å; H297-F311 AromaticContact CE1-CG 3.61Å; H297-F311 AromaticContact NE2-CD2 3.46Å; H297-F311 WeakPolarHBondContact NE2-CD2 3.5Å; H297-F311 AromaticContact NE2-CG 3.61Å; A300-F311 HydrophobicContact CB-CE2 4.01Å; A300-F311 HydrophobicContact CB-CZ 4.13Å; V309-F311 HydrophobicContact CB-CE2 4.25Å; V309-F311 HydrophobicContact CG1-CD2 3.99Å; V309-F311 HydrophobicContact CG1-CE1 4.14Å; V309-F311 HydrophobicContact CG1-CE2 3.5Å; V309-F311 VanDerWaalsContact CG1-CE2 3.5Å; V309-F311 HydrophobicContact CG1-CZ 3.59Å
312L95.6Very high92.4Very high27 Ų2755.3 Ų55.314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-118.8133176-56.8173.5000109L194 Y207 V277 V278 A279 G280 V310 I315 L323L194-L312 HydrophobicContact CD1-CD2 4.32Å; L194-L312 HydrophobicContact CD2-CD1 3.68Å; Y207-L312 WeakPolarHBondContact CE2-O 3.28Å; Y207-L312 PolarHBondContact OH-O 3.46Å; V277-L312 HydrophobicContact CG1-CD1 3.69Å; V277-L312 HydrophobicContact CG1-CG 4.29Å; V278-L312 PolarHBondContact O-N 3.49Å; A279-L312 WeakPolarHBondContact CA-O 3.44Å; A279-L312 HydrophobicContact CB-CB 4.03Å; A279-L312 HydrophobicContact CB-CD1 4.42Å; G280-L312 PolarHBondContact N-O 2.82Å; G280-L312 VanDerWaalsContact N-O 3.13Å; V310-L312 HydrophobicContact CG1-CD2 3.96Å; V310-L312 HydrophobicContact CG1-CG 4.13Å; L312-I315 HydrophobicContact CB-CG2 3.66Å; L312-I315 HydrophobicContact CD1-CG2 4.4Å; L312-L323 HydrophobicContact CD1-CD1 3.98Å; L312-L323 HydrophobicContact CD1-CD2 4.05Å
313Q94.3Very high92.3Very high91 Ų9148.7 Ų48.743%0.42526%0.259SS..EExtended strand (participates in β ladder)trans-122.2137.7-177.2-62.4175.936.700110.1Y207 G280 V282 V293 I315Y207-Q313 HydrophobicContact CE2-CG 3.92Å; G280-Q313 CarbonylContact O-C 3.46Å; G280-Q313 WeakPolarHBondContact O-CA 3.5Å; V282-Q313 HydrophobicContact CG2-CB 4.05Å; V282-Q313 HydrophobicContact CG2-CG 3.88Å; V293-Q313 VanDerWaalsContact CG1-NE2 3.31Å; Q313-I315 VanDerWaalsContact C-N 3.25Å; Q313-I315 PolarHBondContact O-N 3.31Å
314N90.5Very high92.4Very high73 Ų7346.6 Ų46.639%0.3925%0.248SC..SBendtrans51.244.3176.4-57.6-46.8000113.1G280 S281 V282G280-N314 PolarHBondContact O-N 3.03Å; S281-N314 VanDerWaalsContact CA-OD1 3.3Å; S281-N314 WeakPolarHBondContact CA-OD1 3.32Å; V282-N314 PolarHBondContact N-OD1 3.04Å
315I90.4Very high92.3Very high24 Ų2444.1 Ų44.112%0.12324%0.235CC..  trans-57.6146.2176.461.8168.2000111L204 A279 L312 Q313 E319 K320 L323L204-I315 HydrophobicContact CD1-CD1 3.84Å; A279-I315 HydrophobicContact CB-CD1 4.06Å; A279-I315 HydrophobicContact CB-CG2 4.43Å; L312-I315 HydrophobicContact CB-CG2 3.66Å; L312-I315 HydrophobicContact CD1-CG2 4.4Å; Q313-I315 VanDerWaalsContact C-N 3.25Å; Q313-I315 PolarHBondContact O-N 3.31Å; I315-E319 WeakPolarHBondContact CA-OE2 3.3Å; I315-E319 HydrophobicContact CB-CB 4.05Å; I315-K320 HydrophobicContact CD1-CB 3.71Å; I315-K320 HydrophobicContact CD1-CG 4.24Å; I315-K320 HydrophobicContact CG1-CB 4.46Å; I315-L323 HydrophobicContact CD1-CD1 3.57Å; I315-L323 HydrophobicContact CG2-CD1 4.48Å
316T87Confident92.3Very high74 Ų7448.7 Ų48.745%0.45426%0.256SS..  trans-68.9162.5171.563.70000111.2Q318 E319 K320T316-Q318 VanDerWaalsContact C-N 3.29Å; T316-Q318 PolarHBondContact O-N 3.47Å; T316-E319 WeakPolarHBondContact CB-OE2 3.44Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.41Å; T316-E319 PolarHBondContact N-OE2 3.15Å; T316-E319 PolarHBondContact O-N 2.96Å; T316-E319 WeakPolarHBondContact OG1-CB 3.36Å; T316-E319 VanDerWaalsContact OG1-CG 3.24Å; T316-E319 WeakPolarHBondContact OG1-CG 3.43Å; T316-E319 PolarHBondContact OG1-N 3.08Å; T316-E319 VanDerWaalsContact OG1-N 3.17Å; T316-E319 PolarHBondContact OG1-OE2 2.97Å; T316-K320 WeakPolarHBondContact O-CB 3.3Å; T316-K320 PolarHBondContact O-N 3.32Å
317G85.6Confident92.4Very high13 Ų1345.8 Ų45.813%0.13424%0.235CC..Hα-helixtrans-55-41.8171.900000114.2E185 K320 V321E185-G317 WeakPolarHBondContact OE2-CA 3.44Å; G317-K320 WeakPolarHBondContact O-CB 3.17Å; G317-K320 PolarHBondContact O-N 3.26Å; G317-V321 WeakPolarHBondContact O-CG2 3.17Å; G317-V321 PolarHBondContact O-N 3.4Å
318Q85.7Confident92.6Very high117 Ų11741 Ų4155%0.54721%0.21SC..Hα-helixtrans-65.1-44.9176.4-68.4179.5-13.600112T316 K320 V321 Q322T316-Q318 VanDerWaalsContact C-N 3.29Å; T316-Q318 PolarHBondContact O-N 3.47Å; Q318-K320 VanDerWaalsContact C-N 3.3Å; Q318-K320 PolarHBondContact O-N 3.48Å; Q318-V321 PolarHBondContact O-N 3.22Å; Q318-Q322 WeakPolarHBondContact O-CG 3.3Å; Q318-Q322 PolarHBondContact O-N 3.31Å
319E90Very high92.8Very high38 Ų3839.7 Ų39.718%0.17820%0.204CC..Hα-helixtrans-62.7-38.3175.4-72.7165.4142.400111.7I315 T316 V321 Q322 L323I315-E319 WeakPolarHBondContact CA-OE2 3.3Å; I315-E319 HydrophobicContact CB-CB 4.05Å; T316-E319 WeakPolarHBondContact CB-OE2 3.44Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.41Å; T316-E319 PolarHBondContact N-OE2 3.15Å; T316-E319 PolarHBondContact O-N 2.96Å; T316-E319 WeakPolarHBondContact OG1-CB 3.36Å; T316-E319 VanDerWaalsContact OG1-CG 3.24Å; T316-E319 WeakPolarHBondContact OG1-CG 3.43Å; T316-E319 PolarHBondContact OG1-N 3.08Å; T316-E319 VanDerWaalsContact OG1-N 3.17Å; T316-E319 PolarHBondContact OG1-OE2 2.97Å; E319-V321 VanDerWaalsContact C-N 3.35Å; E319-V321 PolarHBondContact O-N 3.06Å; E319-Q322 PolarHBondContact O-N 2.97Å; E319-L323 WeakPolarHBondContact O-CB 2.96Å; E319-L323 VanDerWaalsContact O-CG 3.27Å; E319-L323 WeakPolarHBondContact O-CG 3.32Å; E319-L323 PolarHBondContact O-N 3.02Å
320K92.2Very high92.9Very high45 Ų4539.1 Ų39.120%0.19620%0.2CC..Hα-helixtrans-59.4-45.5174-176.9-175.4176-175.80111.5L204 I315 T316 G317 Q318 L323 L324 E345L204-K320 HydrophobicContact CD2-CD 4.41Å; L204-K320 HydrophobicContact CD2-CG 3.87Å; I315-K320 HydrophobicContact CD1-CB 3.71Å; I315-K320 HydrophobicContact CD1-CG 4.24Å; I315-K320 HydrophobicContact CG1-CB 4.46Å; T316-K320 WeakPolarHBondContact O-CB 3.3Å; T316-K320 PolarHBondContact O-N 3.32Å; G317-K320 WeakPolarHBondContact O-CB 3.17Å; G317-K320 PolarHBondContact O-N 3.26Å; Q318-K320 VanDerWaalsContact C-N 3.3Å; Q318-K320 PolarHBondContact O-N 3.48Å; K320-L323 PolarHBondContact O-N 3.31Å; K320-L324 HydrophobicContact CG-CD1 4.09Å; K320-L324 WeakPolarHBondContact O-CG 3.45Å; K320-L324 PolarHBondContact O-N 3.24Å; K320-E345 WeakPolarHBondContact CE-OE1 3.44Å; K320-E345 VanDerWaalsContact CE-OE2 3.25Å; K320-E345 WeakPolarHBondContact CE-OE2 3.5Å; K320-E345 IonicContact NZ-OE1 3.38Å; K320-E345 PolarHBondContact NZ-OE1 3.1Å; K320-E345 IonicContact NZ-OE2 3.59Å; K320-E345 PolarHBondContact NZ-OE2 2.77Å
321V91.1Very high93Very high2 Ų236.6 Ų36.61%0.01219%0.185CC..Hα-helixtrans-63-44.4176173.60000111.1T182 E185 P187 G317 Q318 E319 L323 L324 N325 F349T182-V321 HydrophobicContact CG2-CG2 4.47Å; E185-V321 HydrophobicContact CB-CG2 4.12Å; P187-V321 VanDerWaalsContact CD-CG1 3.43Å; P187-V321 HydrophobicContact CG-CG1 4.38Å; G317-V321 WeakPolarHBondContact O-CG2 3.17Å; G317-V321 PolarHBondContact O-N 3.4Å; Q318-V321 PolarHBondContact O-N 3.22Å; E319-V321 VanDerWaalsContact C-N 3.35Å; E319-V321 PolarHBondContact O-N 3.06Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 3.5Å; V321-L324 PolarHBondContact O-N 2.98Å; V321-N325 WeakPolarHBondContact O-CB 3.35Å; V321-N325 PolarHBondContact O-N 3.28Å; V321-F349 HydrophobicContact CB-CZ 4.13Å; V321-F349 HydrophobicContact CG1-CE1 3.52Å; V321-F349 HydrophobicContact CG1-CE2 4.43Å; V321-F349 HydrophobicContact CG1-CZ 3.45Å; V321-F349 VanDerWaalsContact CG1-CZ 3.45Å; V321-F349 HydrophobicContact CG2-CZ 3.92Å
322Q91.1Very high93Very high26 Ų2635 Ų3512%0.12118%0.178CC..Hα-helixtrans-58.4-44.3176.8-69.9-69-11.100111.9A190 Q318 E319 N325 H326A190-Q322 PolarHBondContact O-NE2 3.12Å; Q318-Q322 WeakPolarHBondContact O-CG 3.3Å; Q318-Q322 PolarHBondContact O-N 3.31Å; E319-Q322 PolarHBondContact O-N 2.97Å; Q322-N325 PolarHBondContact O-N 3.43Å; Q322-H326 WeakPolarHBondContact O-CB 3.39Å; Q322-H326 PolarHBondContact O-CD2 3.45Å; Q322-H326 PolarHBondContact O-N 2.96Å; Q322-H326 VanDerWaalsContact O-N 3.09Å; Q322-H326 PolarHBondContact OE1-CD2 3.48Å; Q322-H326 VanDerWaalsContact OE1-CD2 3.3Å; Q322-H326 PolarHBondContact OE1-NE2 3.28Å
323L94.7Very high93Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-61-46.2176.2-73.2169000112.3L194 L196 Y200 L202 V277 A279 L312 I315 E319 K320 V321 C327L194-L323 HydrophobicContact CD2-CD2 4.35Å; L196-L323 HydrophobicContact CD1-CD2 4.19Å; L196-L323 HydrophobicContact CD2-CD2 3.52Å; Y200-L323 HydrophobicContact CE2-CD2 4.12Å; Y200-L323 VanDerWaalsContact OH-CA 3.31Å; Y200-L323 WeakPolarHBondContact OH-CA 3.43Å; Y200-L323 PolarHBondContact OH-O 2.85Å; L202-L323 HydrophobicContact CD1-CB 4.21Å; L202-L323 HydrophobicContact CD1-CD1 4.4Å; L202-L323 HydrophobicContact CD1-CD2 4.22Å; L202-L323 HydrophobicContact CD2-CB 3.94Å; V277-L323 HydrophobicContact CG1-CD2 3.78Å; A279-L323 HydrophobicContact CB-CD1 3.75Å; L312-L323 HydrophobicContact CD1-CD1 3.98Å; L312-L323 HydrophobicContact CD1-CD2 4.05Å; I315-L323 HydrophobicContact CD1-CD1 3.57Å; I315-L323 HydrophobicContact CG2-CD1 4.48Å; E319-L323 WeakPolarHBondContact O-CB 2.96Å; E319-L323 VanDerWaalsContact O-CG 3.27Å; E319-L323 WeakPolarHBondContact O-CG 3.32Å; E319-L323 PolarHBondContact O-N 3.02Å; K320-L323 PolarHBondContact O-N 3.31Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 3.5Å; L323-C327 VanDerWaalsContact O-CB 3.29Å; L323-C327 WeakPolarHBondContact O-CB 3.5Å; L323-C327 PolarHBondContact O-N 2.98Å
324L94.8Very high92.9Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-69.8-33.9178.7-70.7169.2000112.3L202 L204 K320 V321 E345 A346 F349 K351L202-L324 HydrophobicContact CD2-CD2 3.92Å; L202-L324 HydrophobicContact CD2-CG 4.37Å; L204-L324 HydrophobicContact CD2-CD1 4.16Å; L204-L324 HydrophobicContact CD2-CD2 3.92Å; L204-L324 HydrophobicContact CD2-CG 4.02Å; K320-L324 HydrophobicContact CG-CD1 4.09Å; K320-L324 WeakPolarHBondContact O-CG 3.45Å; K320-L324 PolarHBondContact O-N 3.24Å; V321-L324 PolarHBondContact O-N 2.98Å; L324-E345 HydrophobicContact CD1-CB 3.96Å; L324-A346 HydrophobicContact CD2-CB 4.01Å; L324-F349 HydrophobicContact CB-CB 4.35Å; L324-F349 HydrophobicContact CB-CD2 3.45Å; L324-F349 VanDerWaalsContact CB-CD2 3.45Å; L324-F349 HydrophobicContact CB-CE2 3.95Å; L324-F349 HydrophobicContact CB-CG 3.98Å; L324-F349 HydrophobicContact CD1-CD2 3.93Å; L324-F349 HydrophobicContact CD1-CE2 3.89Å; L324-F349 HydrophobicContact CG-CD2 4.29Å; L324-K351 WeakPolarHBondContact O-CE 3.21Å; L324-K351 WeakPolarHBondContact O-CG 3.31Å
325N92.1Very high92.8Very high70 Ų7027.7 Ų27.737%0.37414%0.144SC..Hα-helixtrans-71.8-31-179.6-168.556.5000112.5V321 Q322 F349 K351V321-N325 WeakPolarHBondContact O-CB 3.35Å; V321-N325 PolarHBondContact O-N 3.28Å; Q322-N325 PolarHBondContact O-N 3.43Å; N325-F349 HydrophobicContact CB-CD1 4.22Å; N325-K351 VanDerWaalsContact C-CE 3.44Å; N325-K351 WeakPolarHBondContact O-CE 3.42Å; N325-K351 PolarHBondContact O-NZ 2.94Å
326H93.4Very high92.4Very high99 Ų9931.5 Ų31.546%0.45816%0.163SC..Hα-helixtrans-108.5-13.3-171.9-67-65.1000115.3Y200 Q322Y200-H326 HydrophobicContact CE1-CB 4.16Å; Y200-H326 WeakPolarHBondContact OH-CB 3.15Å; Q322-H326 WeakPolarHBondContact O-CB 3.39Å; Q322-H326 PolarHBondContact O-CD2 3.45Å; Q322-H326 PolarHBondContact O-N 2.96Å; Q322-H326 VanDerWaalsContact O-N 3.09Å; Q322-H326 PolarHBondContact OE1-CD2 3.48Å; Q322-H326 VanDerWaalsContact OE1-CD2 3.3Å; Q322-H326 PolarHBondContact OE1-NE2 3.28Å
327C96.7Very high92.3Very high0 Ų029.3 Ų29.30%015%0.147CC..  trans-64.4155.9176.7750000111.9Y200 L202 L323 K351Y200-C327 HydrophobicContact CD2-CB 3.89Å; Y200-C327 HydrophobicContact CE2-CB 3.38Å; Y200-C327 PolarHBondContact OH-N 3.4Å; L202-C327 HydrophobicContact CB-CB 3.67Å; L202-C327 HydrophobicContact CD2-CB 4.32Å; L323-C327 VanDerWaalsContact O-CB 3.29Å; L323-C327 WeakPolarHBondContact O-CB 3.5Å; L323-C327 PolarHBondContact O-N 2.98Å; C327-K351 VanDerWaalsContact O-CD 3.26Å; C327-K351 WeakPolarHBondContact O-CD 3.14Å; C327-K351 WeakPolarHBondContact O-CE 3.46Å; C327-K351 PolarHBondContact O-NZ 3.49Å
328L96.7Very high92.4Very high33 Ų3331 Ų3117%0.17315%0.152CC..SBendtrans-75.5-44.6172.1178.262.3000110.7V199 Y200 F201 P352 L389 L396V199-L328 HydrophobicContact CG1-CD2 4.3Å; Y200-L328 WeakPolarHBondContact O-CB 3.41Å; Y200-L328 PolarHBondContact O-N 3.25Å; F201-L328 HydrophobicContact CE1-CD2 4Å; F201-L328 HydrophobicContact CE1-CG 4.41Å; F201-L328 HydrophobicContact CE2-CD2 4.25Å; F201-L328 HydrophobicContact CZ-CD2 3.68Å; L328-P352 WeakPolarHBondContact O-CD 3.05Å; L328-L389 HydrophobicContact CD2-CB 4.4Å; L328-L389 HydrophobicContact CD2-CD1 3.92Å; L328-L396 HydrophobicContact CD1-CD1 3.87Å; L328-L396 HydrophobicContact CD1-CD2 4.22Å
329A98Very high92.6Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-158154.9178.500000110.8F201 L202 P352 L388F201-A329 HydrophobicContact CD1-CB 3.91Å; F201-A329 HydrophobicContact CE1-CB 3.98Å; L202-A329 PolarHBondContact N-O 3.45Å; A329-P352 VanDerWaalsContact CA-O 3.3Å; A329-P352 WeakPolarHBondContact CA-O 3.28Å; A329-P352 HydrophobicContact CB-CG 3.96Å; A329-P352 WeakPolarHBondContact CB-O 3.14Å; A329-L388 HydrophobicContact CB-CD1 3.57Å
330L98.3Very high92.4Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-91.3128.3172.5-176.579.2000110.3L202 L204 Y332 T342 A346 P352 V353 V354L202-L330 HydrophobicContact CB-CD1 4.31Å; L202-L330 HydrophobicContact CD2-CD1 4.02Å; L202-L330 HydrophobicContact CG-CD1 3.98Å; L202-L330 CarbonylContact O-C 3.58Å; L202-L330 WeakPolarHBondContact O-CA 3.06Å; L202-L330 WeakPolarHBondContact O-CD1 3.34Å; L204-L330 HydrophobicContact CB-CD1 3.8Å; L330-Y332 HydrophobicContact CD2-CD2 4.45Å; L330-T342 HydrophobicContact CD1-CG2 4.02Å; L330-T342 HydrophobicContact CD2-CG2 3.65Å; L330-A346 HydrophobicContact CB-CB 3.8Å; L330-A346 HydrophobicContact CD2-CB 3.74Å; L330-A346 HydrophobicContact CG-CB 4.29Å; L330-P352 PolarHBondContact N-O 2.95Å; L330-V353 HydrophobicContact CB-CG1 4.38Å; L330-V353 HydrophobicContact CB-CG2 4.27Å; L330-V353 HydrophobicContact CD2-CG1 4.08Å; L330-V353 HydrophobicContact CD2-CG2 4.28Å; L330-V353 CarbonylContact O-C 3.56Å; L330-V353 WeakPolarHBondContact O-CA 3.2Å; L330-V354 PolarHBondContact O-N 3.45Å
331L98.1Very high92.4Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-95.7105.7169.8-52.9-177.1000109.6F201 L202 S203 A216 L276 V354 M385F201-L331 HydrophobicContact CB-CD1 3.93Å; F201-L331 HydrophobicContact CB-CG 4.08Å; F201-L331 HydrophobicContact CD1-CD2 4.05Å; F201-L331 HydrophobicContact CD1-CG 4.46Å; L202-L331 PolarHBondContact O-N 2.73Å; S203-L331 PolarHBondContact OG-O 3.34Å; A216-L331 HydrophobicContact CB-CD1 4.34Å; L276-L331 HydrophobicContact CD1-CD1 3.88Å; L331-V354 HydrophobicContact CD2-CB 3.89Å; L331-V354 HydrophobicContact CD2-CG2 4Å; L331-M385 HydrophobicContact CD1-CG 4.32Å; L331-M385 HydrophobicContact CD1-SD 3.58Å; L331-M385 VanDerWaalsContact CD1-SD 3.58Å; L331-M385 HydrophobicContact CD2-CG 3.8Å; L331-M385 HydrophobicContact CD2-SD 4.18Å
332Y96.8Very high92.5Very high3 Ų323.5 Ų23.51%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-10490.7179.7-162.4-99.3000110.9N205 K211 L330 E337 P343 V354 A355N205-Y332 WeakPolarHBondContact OD1-CE2 3.4Å; K211-Y332 PolarHBondContact NZ-OH 3.49Å; L330-Y332 HydrophobicContact CD2-CD2 4.45Å; Y332-E337 HydrophobicContact CE1-CB 3.88Å; Y332-E337 HydrophobicContact CE1-CG 3.73Å; Y332-E337 WeakPolarHBondContact OH-CG 3.46Å; Y332-E337 PolarHBondContact OH-OE2 3.44Å; Y332-P343 HydrophobicContact CD1-CG 3.95Å; Y332-P343 HydrophobicContact CD2-CG 3.88Å; Y332-P343 HydrophobicContact CE1-CG 4.24Å; Y332-P343 HydrophobicContact CE2-CG 4.16Å; Y332-P343 HydrophobicContact CG-CG 3.76Å; Y332-V354 PolarHBondContact N-O 3.31Å; Y332-A355 HydrophobicContact CD1-CB 4.41Å; Y332-A355 WeakPolarHBondContact O-CA 3.46Å
333T95.6Very high92.7Very high0 Ų022.4 Ų22.40%012%0.115CC..  trans-90.31.8-169.546.40000115.1K211 R212 I215 A216 P335 F381K211-T333 CarbonylContact O-C 3.48Å; K211-T333 PolarHBondContact O-OG1 3.37Å; R212-T333 WeakPolarHBondContact O-CB 3.22Å; R212-T333 PolarHBondContact O-OG1 2.74Å; I215-T333 HydrophobicContact CB-CG2 4.17Å; I215-T333 HydrophobicContact CG2-CG2 4.17Å; A216-T333 HydrophobicContact CB-CG2 3.85Å; T333-P335 WeakPolarHBondContact O-CD 3.48Å; T333-F381 HydrophobicContact CG2-CD1 4.02Å; T333-F381 HydrophobicContact CG2-CE1 3.62Å; T333-F381 HydrophobicContact CG2-CE2 4.44Å; T333-F381 HydrophobicContact CG2-CZ 3.86Å
334S92Very high92.8Very high4 Ų422.5 Ų22.53%0.02812%0.115CC..  trans-69.3109.4-178.4-165.40000110.4D210 K211 E337D210-S334 PolarHBondContact O-OG 3.05Å; K211-S334 PolarHBondContact O-N 3.02Å; S334-E337 PolarHBondContact OG-OE2 3.11Å
335P87.7Confident92.8Very high34 Ų3422.5 Ų22.522%0.22112%0.115CC..THydrogen-bonded Turntrans-67.7153.3170.332.2-37.3000109.7D210 R212 T333 E337 F376D210-P335 WeakPolarHBondContact O-CD 3.37Å; R212-P335 HydrophobicContact CG-CG 3.96Å; T333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-E337 PolarHBondContact O-N 2.75Å; P335-E337 VanDerWaalsContact O-N 3.09Å; P335-F376 HydrophobicContact CB-CD1 4.17Å; P335-F376 HydrophobicContact CB-CD2 4.44Å; P335-F376 HydrophobicContact CB-CE1 3.93Å; P335-F376 HydrophobicContact CB-CE2 4.2Å; P335-F376 HydrophobicContact CB-CG 4.42Å; P335-F376 HydrophobicContact CB-CZ 3.96Å; P335-F376 HydrophobicContact CG-CE1 3.95Å; P335-F376 HydrophobicContact CG-CE2 4.21Å; P335-F376 HydrophobicContact CG-CZ 3.7Å
336M82.4Confident93Very high104 Ų10419.2 Ų19.251%0.51210%0.097SC..THydrogen-bonded Turntrans58.424.9172.2-59.3-66-64.800114.7H338 S358 C359M336-H338 PolarHBondContact O-CD2 3.34Å; M336-H338 VanDerWaalsContact O-CD2 3.25Å; M336-H338 PolarHBondContact O-N 3.08Å; M336-S358 PolarHBondContact N-OG 2.94Å; M336-C359 VanDerWaalsContact CE-SG 3.58Å; M336-C359 PolarHBondContact SD-SG 3.41Å
337E85.7Confident93.2Very high28 Ų2814.7 Ų14.713%0.1318%0.078CC..  trans-61.5135.7178-177.960.9-11400111.4K211 Y332 S334 P335 C359 G360K211-E337 IonicContact NZ-OE2 3Å; K211-E337 PolarHBondContact NZ-OE2 3.22Å; Y332-E337 HydrophobicContact CE1-CB 3.88Å; Y332-E337 HydrophobicContact CE1-CG 3.73Å; Y332-E337 WeakPolarHBondContact OH-CG 3.46Å; Y332-E337 PolarHBondContact OH-OE2 3.44Å; S334-E337 PolarHBondContact OG-OE2 3.11Å; P335-E337 PolarHBondContact O-N 2.75Å; P335-E337 VanDerWaalsContact O-N 3.09Å; E337-C359 WeakPolarHBondContact O-CB 3.35Å; E337-G360 WeakPolarHBondContact O-CA 3.37Å; E337-G360 PolarHBondContact O-N 3.44Å
338H86.7Confident93.1Very high48 Ų4818 Ų1822%0.2229%0.093CC..SBendtrans-78.7-29.4-173.3-46.7139.3000112.3F114 S152 M336 G360F114-H338 HydrophobicContact CB-CB 4.33Å; F114-H338 VanDerWaalsContact CB-ND1 3.29Å; F114-H338 WeakPolarHBondContact CB-ND1 3.48Å; F114-H338 AromaticContact CD1-CD2 3.79Å; F114-H338 AromaticContact CD1-CE1 3.11Å; F114-H338 WeakPolarHBondContact CD1-CE1 3.35Å; F114-H338 AromaticContact CD1-CG 3.93Å; F114-H338 AromaticContact CD1-ND1 3.54Å; F114-H338 AromaticContact CD1-NE2 3.28Å; F114-H338 VanDerWaalsContact CD1-NE2 3.28Å; F114-H338 WeakPolarHBondContact CD1-NE2 3.4Å; F114-H338 HydrophobicContact CD2-CB 3.76Å; F114-H338 AromaticContact CD2-CD2 3.52Å; F114-H338 AromaticContact CD2-CG 3.35Å; F114-H338 AromaticContact CD2-ND1 3.7Å; F114-H338 AromaticContact CD2-NE2 3.94Å; F114-H338 AromaticContact CE1-CD2 3.65Å; F114-H338 AromaticContact CE1-CE1 3.52Å; F114-H338 AromaticContact CE1-NE2 3.14Å; F114-H338 WeakPolarHBondContact CE1-NE2 3.23Å; F114-H338 HydrophobicContact CE2-CB 4.32Å; F114-H338 AromaticContact CE2-CD2 3.46Å; F114-H338 VanDerWaalsContact CE2-CD2 3.46Å; F114-H338 WeakPolarHBondContact CE2-CD2 3.36Å; F114-H338 AromaticContact CE2-CG 3.8Å; F114-H338 AromaticContact CE2-NE2 3.9Å; F114-H338 HydrophobicContact CG-CB 4.18Å; F114-H338 AromaticContact CG-CD2 3.7Å; F114-H338 AromaticContact CG-CE1 3.37Å; F114-H338 WeakPolarHBondContact CG-CE1 3.44Å; F114-H338 AromaticContact CG-CG 3.43Å; F114-H338 VanDerWaalsContact CG-CG 3.43Å; F114-H338 AromaticContact CG-ND1 3.23Å; F114-H338 WeakPolarHBondContact CG-ND1 3.41Å; F114-H338 AromaticContact CG-NE2 3.66Å; F114-H338 AromaticContact CZ-CD2 3.51Å; F114-H338 AromaticContact CZ-NE2 3.5Å; F114-H338 WeakPolarHBondContact CZ-NE2 3.28Å; S152-H338 VanDerWaalsContact CB-O 3.3Å; S152-H338 WeakPolarHBondContact CB-O 3.46Å; S152-H338 PolarHBondContact OG-O 2.84Å; M336-H338 PolarHBondContact O-CD2 3.34Å; M336-H338 VanDerWaalsContact O-CD2 3.25Å; M336-H338 PolarHBondContact O-N 3.08Å; H338-G360 WeakPolarHBondContact O-CA 3.47Å
339F89.7Confident93Very high6 Ų617.6 Ų17.63%0.0269%0.09CC..SBendtrans-146.5-65.8172179.2-106.9000111.2N151 Y175 P176 I341 I344 G360 T364 F411N151-F339 WeakPolarHBondContact O-CD2 3.41Å; Y175-F339 HydrophobicContact CD1-CD2 4.16Å; Y175-F339 AromaticContact CD1-CE2 3.57Å; Y175-F339 HydrophobicContact CD1-CE2 3.57Å; Y175-F339 HydrophobicContact CD1-CZ 4.45Å; Y175-F339 HydrophobicContact CE1-CE2 4.16Å; Y175-F339 HydrophobicContact CG-CE2 4.47Å; P176-F339 HydrophobicContact CB-CD1 4.06Å; P176-F339 HydrophobicContact CB-CE1 3.53Å; P176-F339 HydrophobicContact CB-CZ 4.07Å; P176-F339 HydrophobicContact CG-CD1 3.56Å; P176-F339 HydrophobicContact CG-CE1 3.51Å; P176-F339 HydrophobicContact CG-CG 4.15Å; P176-F339 HydrophobicContact CG-CZ 4.04Å; F339-I341 HydrophobicContact CE1-CD1 4.34Å; F339-I344 HydrophobicContact CE1-CD1 3.9Å; F339-I344 HydrophobicContact CE1-CG1 4.39Å; F339-I344 HydrophobicContact CZ-CD1 4.1Å; F339-I344 HydrophobicContact CZ-CG2 4.22Å; F339-G360 CarbonylContact O-C 3.56Å; F339-T364 HydrophobicContact CD1-CG2 4.46Å; F339-T364 HydrophobicContact CD2-CG2 3.9Å; F339-T364 HydrophobicContact CE1-CG2 4.18Å; F339-T364 HydrophobicContact CE2-CG2 3.58Å; F339-T364 HydrophobicContact CG-CG2 4.34Å; F339-T364 HydrophobicContact CZ-CG2 3.75Å; F339-T364 WeakPolarHBondContact O-CG2 3.27Å; F339-F411 HydrophobicContact CE2-CD1 4.36Å; F339-F411 AromaticContact CE2-CE1 3.66Å; F339-F411 HydrophobicContact CE2-CE1 3.66Å; F339-F411 HydrophobicContact CE2-CZ 4.29Å; F339-F411 AromaticContact CZ-CD1 3.86Å; F339-F411 HydrophobicContact CZ-CD1 3.86Å; F339-F411 AromaticContact CZ-CE1 3.6Å; F339-F411 HydrophobicContact CZ-CE1 3.6Å; F339-F411 HydrophobicContact CZ-CZ 4.36Å
340G87.1Confident93Very high4 Ų418.3 Ų18.34%0.04110%0.097CC..  trans90.397.8-176.700000112.2P343G340-P343 WeakPolarHBondContact O-CD 3.41Å
341I91.9Very high92.9Very high22 Ų2220.1 Ų20.111%0.11311%0.105CC..Hα-helixtrans-71.9-37.8177.3-159.677.4000111.9P176 A177 P179 F339 I344 E345P176-I341 HydrophobicContact CB-CD1 3.74Å; A177-I341 WeakPolarHBondContact O-CD1 3.3Å; P179-I341 HydrophobicContact CG-CD1 3.88Å; P179-I341 HydrophobicContact CG-CG1 3.53Å; F339-I341 HydrophobicContact CE1-CD1 4.34Å; I341-I344 HydrophobicContact CD1-CD1 3.84Å; I341-I344 HydrophobicContact CD1-CG1 4.25Å; I341-I344 HydrophobicContact CG1-CG1 4.49Å; I341-I344 WeakPolarHBondContact O-CG1 3.46Å; I341-I344 PolarHBondContact O-N 2.74Å; I341-I344 VanDerWaalsContact O-N 3.11Å; I341-E345 HydrophobicContact CG1-CG 4.48Å; I341-E345 WeakPolarHBondContact O-CG 3.35Å; I341-E345 PolarHBondContact O-N 2.8Å
342T94Very high92.9Very high13 Ų1320.3 Ų20.38%0.0811%0.106CC..Hα-helixtrans-63.3-38.7-175.5-44.80000113.3L204 L330 I344 E345 A346L204-T342 HydrophobicContact CB-CG2 3.83Å; L204-T342 HydrophobicContact CD2-CG2 3.72Å; L204-T342 HydrophobicContact CG-CG2 3.81Å; L204-T342 WeakPolarHBondContact O-CG2 3.48Å; L330-T342 HydrophobicContact CD1-CG2 4.02Å; L330-T342 HydrophobicContact CD2-CG2 3.65Å; T342-I344 VanDerWaalsContact C-N 3.34Å; T342-I344 PolarHBondContact O-N 2.86Å; T342-E345 WeakPolarHBondContact O-CB 3.47Å; T342-E345 PolarHBondContact O-N 2.79Å; T342-A346 PolarHBondContact O-N 3.44Å
343P95.4Very high93Very high3 Ų320.3 Ų20.32%0.01911%0.107CC..Hα-helixtrans-52.7-45.1169.2-31.935.8000114.7Y332 G340 A346 G347 V353 I365Y332-P343 HydrophobicContact CD1-CG 3.95Å; Y332-P343 HydrophobicContact CD2-CG 3.88Å; Y332-P343 HydrophobicContact CE1-CG 4.24Å; Y332-P343 HydrophobicContact CE2-CG 4.16Å; Y332-P343 HydrophobicContact CG-CG 3.76Å; G340-P343 WeakPolarHBondContact O-CD 3.41Å; P343-A346 PolarHBondContact O-N 3.02Å; P343-G347 PolarHBondContact O-N 3.35Å; P343-V353 HydrophobicContact CB-CG1 4.18Å; P343-V353 HydrophobicContact CB-CG2 4.31Å; P343-V353 HydrophobicContact CG-CG1 4.33Å; P343-I365 HydrophobicContact CB-CD1 4.29Å; P343-I365 HydrophobicContact CB-CG1 4.28Å
344I95.8Very high93.1Very high1 Ų120.3 Ų20.31%0.00511%0.107CC..Hα-helixtrans-74.5-28.8179.765.7162.8000112A177 V178 F339 I341 T342 G347 H348 T364 I407 F411A177-I344 WeakPolarHBondContact O-CD1 3.24Å; V178-I344 HydrophobicContact CG2-CB 4.33Å; V178-I344 HydrophobicContact CG2-CD1 4.17Å; V178-I344 HydrophobicContact CG2-CG1 4.31Å; F339-I344 HydrophobicContact CE1-CD1 3.9Å; F339-I344 HydrophobicContact CE1-CG1 4.39Å; F339-I344 HydrophobicContact CZ-CD1 4.1Å; F339-I344 HydrophobicContact CZ-CG2 4.22Å; I341-I344 HydrophobicContact CD1-CD1 3.84Å; I341-I344 HydrophobicContact CD1-CG1 4.25Å; I341-I344 HydrophobicContact CG1-CG1 4.49Å; I341-I344 WeakPolarHBondContact O-CG1 3.46Å; I341-I344 PolarHBondContact O-N 2.74Å; I341-I344 VanDerWaalsContact O-N 3.11Å; T342-I344 VanDerWaalsContact C-N 3.34Å; T342-I344 PolarHBondContact O-N 2.86Å; I344-G347 PolarHBondContact O-N 3.44Å; I344-H348 PolarHBondContact O-N 2.7Å; I344-T364 HydrophobicContact CG2-CG2 3.72Å; I344-I407 HydrophobicContact CB-CD1 3.79Å; I344-I407 HydrophobicContact CG2-CD1 4.25Å; I344-I407 WeakPolarHBondContact O-CD1 3.42Å; I344-F411 HydrophobicContact CB-CD2 4.44Å; I344-F411 HydrophobicContact CB-CG 4.45Å; I344-F411 HydrophobicContact CD1-CB 4.09Å; I344-F411 HydrophobicContact CD1-CD1 4.46Å; I344-F411 HydrophobicContact CD1-CG 4.33Å; I344-F411 HydrophobicContact CG2-CD1 4.31Å; I344-F411 HydrophobicContact CG2-CD2 3.73Å; I344-F411 HydrophobicContact CG2-CE1 4.5Å; I344-F411 HydrophobicContact CG2-CE2 3.91Å; I344-F411 HydrophobicContact CG2-CG 3.93Å; I344-F411 HydrophobicContact CG2-CZ 4.3Å
345E95.6Very high93.3Very high1 Ų120.1 Ų20.11%0.00511%0.105CC..Hα-helixtrans-65.7-45.4171-66.4-179.7121.500111.7V178 P179 T182 K320 L324 I341 T342 G347 H348 F349V178-E345 HydrophobicContact CG1-CG 4.48Å; P179-E345 HydrophobicContact CG-CG 4.34Å; T182-E345 HydrophobicContact CG2-CG 4.34Å; T182-E345 PolarHBondContact OG1-OE1 3.28Å; K320-E345 WeakPolarHBondContact CE-OE1 3.44Å; K320-E345 VanDerWaalsContact CE-OE2 3.25Å; K320-E345 WeakPolarHBondContact CE-OE2 3.5Å; K320-E345 IonicContact NZ-OE1 3.38Å; K320-E345 PolarHBondContact NZ-OE1 3.1Å; K320-E345 IonicContact NZ-OE2 3.59Å; K320-E345 PolarHBondContact NZ-OE2 2.77Å; L324-E345 HydrophobicContact CD1-CB 3.96Å; I341-E345 HydrophobicContact CG1-CG 4.48Å; I341-E345 WeakPolarHBondContact O-CG 3.35Å; I341-E345 PolarHBondContact O-N 2.8Å; T342-E345 WeakPolarHBondContact O-CB 3.47Å; T342-E345 PolarHBondContact O-N 2.79Å; E345-G347 VanDerWaalsContact C-N 3.31Å; E345-G347 PolarHBondContact O-N 3.07Å; E345-H348 VanDerWaalsContact O-CB 3.29Å; E345-H348 WeakPolarHBondContact O-CB 3.14Å; E345-H348 PolarHBondContact O-N 3Å; E345-H348 VanDerWaalsContact O-N 3.13Å; E345-F349 VanDerWaalsContact O-CD2 3.25Å; E345-F349 WeakPolarHBondContact O-CD2 3.45Å; E345-F349 PolarHBondContact O-N 2.73Å
346A96.3Very high93.6Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-60.9-42172.700000111.7L324 L330 T342 P343 H348 F349 G350 K351 V353L324-A346 HydrophobicContact CD2-CB 4.01Å; L330-A346 HydrophobicContact CB-CB 3.8Å; L330-A346 HydrophobicContact CD2-CB 3.74Å; L330-A346 HydrophobicContact CG-CB 4.29Å; T342-A346 PolarHBondContact O-N 3.44Å; P343-A346 PolarHBondContact O-N 3.02Å; A346-H348 VanDerWaalsContact C-N 3.26Å; A346-H348 PolarHBondContact O-N 2.82Å; A346-F349 CarbonylContact O-C 3.43Å; A346-F349 PolarHBondContact O-N 2.84Å; A346-F349 VanDerWaalsContact O-N 3.15Å; A346-G350 PolarHBondContact O-N 2.59Å; A346-K351 HydrophobicContact CB-CB 4.17Å; A346-K351 WeakPolarHBondContact O-CB 3.36Å; A346-K351 PolarHBondContact O-N 3.38Å; A346-V353 HydrophobicContact CB-CG2 3.77Å
347G96.6Very high94.1Very high4 Ų417.7 Ų17.74%0.0419%0.092CC..Hα-helixtrans-58-36.7172.900000113.1P343 I344 E345 F349 G350 C403P343-G347 PolarHBondContact O-N 3.35Å; I344-G347 PolarHBondContact O-N 3.44Å; E345-G347 VanDerWaalsContact C-N 3.31Å; E345-G347 PolarHBondContact O-N 3.07Å; G347-F349 VanDerWaalsContact C-N 3.3Å; G347-F349 PolarHBondContact O-N 2.86Å; G347-G350 PolarHBondContact O-N 2.99Å; G347-C403 VanDerWaalsContact O-CB 3.3Å; G347-C403 WeakPolarHBondContact O-CB 3.37Å
348H95.4Very high94.3Very high70 Ų7017.3 Ų17.332%0.3249%0.093SC..Hα-helixtrans-61.1-39.1176.8-178.471.5000112.3V178 I344 E345 A346 G350V178-H348 HydrophobicContact CG1-CB 3.87Å; V178-H348 HydrophobicContact CG2-CB 4.09Å; I344-H348 PolarHBondContact O-N 2.7Å; E345-H348 VanDerWaalsContact O-CB 3.29Å; E345-H348 WeakPolarHBondContact O-CB 3.14Å; E345-H348 PolarHBondContact O-N 3Å; E345-H348 VanDerWaalsContact O-N 3.13Å; A346-H348 VanDerWaalsContact C-N 3.26Å; A346-H348 PolarHBondContact O-N 2.82Å; H348-G350 PolarHBondContact O-N 2.73Å
349F95.1Very high94.2Very high25 Ų2515.9 Ų15.911%0.119%0.088CC..THydrogen-bonded Turntrans-85.413.5175-65.5-77.1000113.5T182 V321 L324 N325 E345 A346 G347 K351T182-F349 HydrophobicContact CG2-CE2 3.8Å; T182-F349 HydrophobicContact CG2-CZ 4.28Å; V321-F349 HydrophobicContact CB-CZ 4.13Å; V321-F349 HydrophobicContact CG1-CE1 3.52Å; V321-F349 HydrophobicContact CG1-CE2 4.43Å; V321-F349 HydrophobicContact CG1-CZ 3.45Å; V321-F349 VanDerWaalsContact CG1-CZ 3.45Å; V321-F349 HydrophobicContact CG2-CZ 3.92Å; L324-F349 HydrophobicContact CB-CB 4.35Å; L324-F349 HydrophobicContact CB-CD2 3.45Å; L324-F349 VanDerWaalsContact CB-CD2 3.45Å; L324-F349 HydrophobicContact CB-CE2 3.95Å; L324-F349 HydrophobicContact CB-CG 3.98Å; L324-F349 HydrophobicContact CD1-CD2 3.93Å; L324-F349 HydrophobicContact CD1-CE2 3.89Å; L324-F349 HydrophobicContact CG-CD2 4.29Å; N325-F349 HydrophobicContact CB-CD1 4.22Å; E345-F349 VanDerWaalsContact O-CD2 3.25Å; E345-F349 WeakPolarHBondContact O-CD2 3.45Å; E345-F349 PolarHBondContact O-N 2.73Å; A346-F349 CarbonylContact O-C 3.43Å; A346-F349 PolarHBondContact O-N 2.84Å; A346-F349 VanDerWaalsContact O-N 3.15Å; G347-F349 VanDerWaalsContact C-N 3.3Å; G347-F349 PolarHBondContact O-N 2.86Å; F349-K351 VanDerWaalsContact C-N 3.25Å; F349-K351 HydrophobicContact CB-CG 4.23Å; F349-K351 PolarHBondContact O-N 3.43Å
350G96.4Very high94Very high14 Ų1415.6 Ų15.614%0.1449%0.087CC..THydrogen-bonded Turntrans6822.1178.200000114A346 G347 H348 A400A346-G350 PolarHBondContact O-N 2.59Å; G347-G350 PolarHBondContact O-N 2.99Å; H348-G350 PolarHBondContact O-N 2.73Å; G350-A400 VanDerWaalsContact O-CA 3.32Å; G350-A400 WeakPolarHBondContact O-CA 3.45Å; G350-A400 WeakPolarHBondContact O-CB 3.14Å
351K97.3Very high94Very high39 Ų3915.4 Ų15.417%0.179%0.085CC..  trans-93.4129.4-177.6-56.2-53-175.4170.60111.4L324 N325 C327 A346 F349L324-K351 WeakPolarHBondContact O-CE 3.21Å; L324-K351 WeakPolarHBondContact O-CG 3.31Å; N325-K351 VanDerWaalsContact C-CE 3.44Å; N325-K351 WeakPolarHBondContact O-CE 3.42Å; N325-K351 PolarHBondContact O-NZ 2.94Å; C327-K351 VanDerWaalsContact O-CD 3.26Å; C327-K351 WeakPolarHBondContact O-CD 3.14Å; C327-K351 WeakPolarHBondContact O-CE 3.46Å; C327-K351 PolarHBondContact O-NZ 3.49Å; A346-K351 HydrophobicContact CB-CB 4.17Å; A346-K351 WeakPolarHBondContact O-CB 3.36Å; A346-K351 PolarHBondContact O-N 3.38Å; F349-K351 VanDerWaalsContact C-N 3.25Å; F349-K351 HydrophobicContact CB-CG 4.23Å; F349-K351 PolarHBondContact O-N 3.43Å
352P98.1Very high93.9Very high4 Ų419.4 Ų19.43%0.02610%0.102CC..  trans-64.7143.3172.926.7-32.3000110.4L328 A329 L330 T370 L388 Y399L328-P352 WeakPolarHBondContact O-CD 3.05Å; A329-P352 VanDerWaalsContact CA-O 3.3Å; A329-P352 WeakPolarHBondContact CA-O 3.28Å; A329-P352 HydrophobicContact CB-CG 3.96Å; A329-P352 WeakPolarHBondContact CB-O 3.14Å; L330-P352 PolarHBondContact N-O 2.95Å; P352-T370 WeakPolarHBondContact CA-O 3.39Å; P352-L388 HydrophobicContact CB-CD1 4.36Å; P352-L388 HydrophobicContact CB-CD2 4.1Å; P352-L388 HydrophobicContact CG-CD1 4.26Å; P352-L388 HydrophobicContact CG-CD2 3.95Å; P352-Y399 HydrophobicContact CB-CD1 3.9Å; P352-Y399 HydrophobicContact CB-CD2 4.5Å; P352-Y399 HydrophobicContact CB-CE1 4.4Å; P352-Y399 HydrophobicContact CB-CG 3.97Å; P352-Y399 HydrophobicContact CG-CG 4.49Å
353V98.2Very high93.9Very high3 Ų319.7 Ų19.72%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-110.1129.8178.3-174.30000110.2L330 P343 A346 A355 I365 T370 G371 L372L330-V353 HydrophobicContact CB-CG1 4.38Å; L330-V353 HydrophobicContact CB-CG2 4.27Å; L330-V353 HydrophobicContact CD2-CG1 4.08Å; L330-V353 HydrophobicContact CD2-CG2 4.28Å; L330-V353 CarbonylContact O-C 3.56Å; L330-V353 WeakPolarHBondContact O-CA 3.2Å; P343-V353 HydrophobicContact CB-CG1 4.18Å; P343-V353 HydrophobicContact CB-CG2 4.31Å; P343-V353 HydrophobicContact CG-CG1 4.33Å; A346-V353 HydrophobicContact CB-CG2 3.77Å; V353-A355 HydrophobicContact CG1-CB 4.39Å; V353-I365 HydrophobicContact CB-CD1 3.8Å; V353-I365 HydrophobicContact CB-CG1 4.07Å; V353-I365 HydrophobicContact CG1-CD1 3.51Å; V353-I365 HydrophobicContact CG1-CG1 4.27Å; V353-T370 PolarHBondContact N-O 3.28Å; V353-G371 CarbonylContact O-C 3.5Å; V353-G371 WeakPolarHBondContact O-CA 3.41Å; V353-L372 PolarHBondContact O-N 3.3Å
354V98Very high93.8Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-97.6118.8167.6-174.80000107.8L330 L331 Y332 L372 V374 F381 A384 L388L330-V354 PolarHBondContact O-N 3.45Å; L331-V354 HydrophobicContact CD2-CB 3.89Å; L331-V354 HydrophobicContact CD2-CG2 4Å; Y332-V354 PolarHBondContact N-O 3.31Å; V354-L372 WeakPolarHBondContact CA-O 3.43Å; V354-V374 HydrophobicContact CG1-CG1 4.22Å; V354-V374 HydrophobicContact CG1-CG2 4.03Å; V354-F381 HydrophobicContact CB-CD1 4.35Å; V354-F381 HydrophobicContact CB-CE1 4.44Å; V354-F381 HydrophobicContact CG1-CD1 3.6Å; V354-F381 HydrophobicContact CG1-CE1 3.86Å; V354-F381 HydrophobicContact CG1-CG 4.3Å; V354-A384 HydrophobicContact CB-CB 4.43Å; V354-A384 HydrophobicContact CG1-CB 3.56Å; V354-A384 HydrophobicContact CG2-CB 3.94Å; V354-L388 HydrophobicContact CG2-CD1 3.54Å
355A97.1Very high93.8Very high0 Ų020 Ų200%010%0.103CC..EExtended strand (participates in β ladder)trans-140.6163.7-179.200000112.1Y332 V353 C361 I365 L372 L373 V374Y332-A355 HydrophobicContact CD1-CB 4.41Å; Y332-A355 WeakPolarHBondContact O-CA 3.46Å; V353-A355 HydrophobicContact CG1-CB 4.39Å; A355-C361 HydrophobicContact CB-CB 4.16Å; A355-I365 HydrophobicContact CB-CD1 3.34Å; A355-L372 PolarHBondContact N-O 2.81Å; A355-L373 HydrophobicContact CB-CD2 4.17Å; A355-L373 CarbonylContact O-C 3.02Å; A355-L373 WeakPolarHBondContact O-CA 3.49Å; A355-V374 WeakPolarHBondContact O-CG2 3.44Å; A355-V374 PolarHBondContact O-N 3.29Å
356V94Very high93.8Very high9 Ų922.6 Ų22.66%0.05512%0.118CC..EExtended strand (participates in β ladder)trans-64.7138.8172.9-176.70000110.2S358 V374 F376 F381V356-S358 PolarHBondContact O-N 3.48Å; V356-V374 CarbonylContact C-O 3.52Å; V356-V374 WeakPolarHBondContact CA-O 3.03Å; V356-F376 HydrophobicContact CG1-CB 3.74Å; V356-F376 HydrophobicContact CG1-CG 4.4Å; V356-F376 HydrophobicContact CG2-CB 4.08Å; V356-F376 HydrophobicContact CG2-CD2 3.44Å; V356-F376 VanDerWaalsContact CG2-CD2 3.44Å; V356-F376 HydrophobicContact CG2-CE2 4.23Å; V356-F376 HydrophobicContact CG2-CG 4.07Å; V356-F381 HydrophobicContact CG2-CE2 3.95Å; V356-F381 HydrophobicContact CG2-CZ 3.91Å
357D92.7Very high93.8Very high77 Ų7727.2 Ų27.241%0.41214%0.142SC..SBendtrans-69.560.1173.4-169.346.7000112.7K362 L373 V374D357-K362 VanDerWaalsContact C-CE 3.48Å; D357-K362 VanDerWaalsContact CG-NZ 3.29Å; D357-K362 VanDerWaalsContact O-CE 3.25Å; D357-K362 WeakPolarHBondContact O-CE 3.22Å; D357-K362 PolarHBondContact O-NZ 3.08Å; D357-K362 WeakPolarHBondContact OD1-CE 3.19Å; D357-K362 IonicContact OD1-NZ 2.72Å; D357-K362 PolarHBondContact OD1-NZ 3.5Å; D357-K362 VanDerWaalsContact OD2-CE 3.27Å; D357-K362 WeakPolarHBondContact OD2-CE 3.42Å; D357-K362 IonicContact OD2-NZ 2.83Å; D357-K362 PolarHBondContact OD2-NZ 3.38Å; D357-L373 HydrophobicContact CB-CB 3.99Å; D357-L373 WeakPolarHBondContact OD1-CD1 3.41Å; D357-V374 PolarHBondContact N-O 3.35Å
358S88.3Confident93.7Very high20 Ų2029.3 Ų29.314%0.1416%0.164CC..SBendtrans-144.5152.2-173.372.10000113.9M336 V356 G360 C361M336-S358 PolarHBondContact N-OG 2.94Å; V356-S358 PolarHBondContact O-N 3.48Å; S358-G360 PolarHBondContact O-N 2.82Å; S358-C361 WeakPolarHBondContact O-CB 3.36Å; S358-C361 PolarHBondContact O-N 3.23Å
359C85.2Confident93.8Very high19 Ų1927.8 Ų27.813%0.12816%0.161CC..THydrogen-bonded Turntrans44-129.5166.8-58.10000115Y154 M336 E337 C361 K362Y154-C359 HydrophobicContact CD1-CB 3.96Å; Y154-C359 HydrophobicContact CD2-CB 4.1Å; Y154-C359 HydrophobicContact CE1-CB 3.91Å; Y154-C359 HydrophobicContact CE2-CB 4.06Å; Y154-C359 VanDerWaalsContact CE2-SG 3.56Å; Y154-C359 HydrophobicContact CG-CB 4.05Å; M336-C359 VanDerWaalsContact CE-SG 3.58Å; M336-C359 PolarHBondContact SD-SG 3.41Å; E337-C359 WeakPolarHBondContact O-CB 3.35Å; C359-C361 VanDerWaalsContact C-N 3.27Å; C359-C361 PolarHBondContact O-N 3.37Å; C359-K362 WeakPolarHBondContact O-CB 3.41Å; C359-K362 PolarHBondContact O-N 3.35Å
360G84.9Confident93.9Very high0 Ų026.9 Ų26.90%016%0.157CC..THydrogen-bonded Turntrans-66.9-22.7-176.300000114.1E337 H338 F339 S358 K362 E363 T364E337-G360 WeakPolarHBondContact O-CA 3.37Å; E337-G360 PolarHBondContact O-N 3.44Å; H338-G360 WeakPolarHBondContact O-CA 3.47Å; F339-G360 CarbonylContact O-C 3.56Å; S358-G360 PolarHBondContact O-N 2.82Å; G360-K362 PolarHBondContact O-N 2.96Å; G360-E363 WeakPolarHBondContact O-CB 3.24Å; G360-E363 PolarHBondContact O-N 3.23Å; G360-T364 PolarHBondContact O-N 3.04Å
361C87.4Confident94Very high0 Ų026.2 Ų26.20%015%0.15CC..Hα-helixtrans-61.1-29.4177-65.10000111.9A355 S358 C359 E363 T364 I365 L373A355-C361 HydrophobicContact CB-CB 4.16Å; S358-C361 WeakPolarHBondContact O-CB 3.36Å; S358-C361 PolarHBondContact O-N 3.23Å; C359-C361 VanDerWaalsContact C-N 3.27Å; C359-C361 PolarHBondContact O-N 3.37Å; C361-E363 PolarHBondContact O-N 3.09Å; C361-T364 PolarHBondContact O-N 2.93Å; C361-T364 PolarHBondContact O-OG1 2.87Å; C361-I365 WeakPolarHBondContact O-CB 3.38Å; C361-I365 PolarHBondContact O-N 3.43Å; C361-L373 HydrophobicContact CB-CD2 4.46Å
362K91.1Very high94Very high105 Ų10524.9 Ų24.946%0.45715%0.145SC..Hα-helixtrans-66.8-16.3174.5-70.3-177.8159.21690113.8D357 C359 G360 L373D357-K362 VanDerWaalsContact C-CE 3.48Å; D357-K362 VanDerWaalsContact CG-NZ 3.29Å; D357-K362 VanDerWaalsContact O-CE 3.25Å; D357-K362 WeakPolarHBondContact O-CE 3.22Å; D357-K362 PolarHBondContact O-NZ 3.08Å; D357-K362 WeakPolarHBondContact OD1-CE 3.19Å; D357-K362 IonicContact OD1-NZ 2.72Å; D357-K362 PolarHBondContact OD1-NZ 3.5Å; D357-K362 VanDerWaalsContact OD2-CE 3.27Å; D357-K362 WeakPolarHBondContact OD2-CE 3.42Å; D357-K362 IonicContact OD2-NZ 2.83Å; D357-K362 PolarHBondContact OD2-NZ 3.38Å; C359-K362 WeakPolarHBondContact O-CB 3.41Å; C359-K362 PolarHBondContact O-N 3.35Å; G360-K362 PolarHBondContact O-N 2.96Å; K362-L373 HydrophobicContact CG-CD1 4.1Å
363E92.4Very high94Very high20 Ų2025.9 Ų25.99%0.09315%0.15CC..Hα-helixtrans-98.4-31.8179.1-58.8-174.6-136.900111.3R153 Y154 Y175 G360 C361 W406 F411R153-E363 WeakPolarHBondContact CA-OE1 3.47Å; R153-E363 WeakPolarHBondContact CB-OE1 3.28Å; R153-E363 WeakPolarHBondContact CB-OE2 3.41Å; R153-E363 WeakPolarHBondContact CG-OE2 3.21Å; R153-E363 VanDerWaalsContact N-CD 3.33Å; R153-E363 PolarHBondContact N-OE1 2.76Å; R153-E363 VanDerWaalsContact N-OE1 3.07Å; R153-E363 PolarHBondContact N-OE2 3.41Å; Y154-E363 PolarHBondContact N-OE1 3.29Å; Y175-E363 HydrophobicContact CE1-CB 4.35Å; Y175-E363 WeakPolarHBondContact CE1-OE2 3.32Å; Y175-E363 VanDerWaalsContact CZ-OE2 3.28Å; Y175-E363 PolarHBondContact OH-OE2 2.9Å; G360-E363 WeakPolarHBondContact O-CB 3.24Å; G360-E363 PolarHBondContact O-N 3.23Å; C361-E363 PolarHBondContact O-N 3.09Å; E363-W406 WeakPolarHBondContact O-CZ2 3.17Å; E363-F411 WeakPolarHBondContact O-CZ 3.41Å
364T93.8Very high93.8Very high5 Ų526.8 Ų26.83%0.03116%0.156CC..Hα-helixtrans-83.5-26.9178.257.70000112.8F339 I344 G360 C361 W406 F411F339-T364 HydrophobicContact CD1-CG2 4.46Å; F339-T364 HydrophobicContact CD2-CG2 3.9Å; F339-T364 HydrophobicContact CE1-CG2 4.18Å; F339-T364 HydrophobicContact CE2-CG2 3.58Å; F339-T364 HydrophobicContact CG-CG2 4.34Å; F339-T364 HydrophobicContact CZ-CG2 3.75Å; F339-T364 WeakPolarHBondContact O-CG2 3.27Å; I344-T364 HydrophobicContact CG2-CG2 3.72Å; G360-T364 PolarHBondContact O-N 3.04Å; C361-T364 PolarHBondContact O-N 2.93Å; C361-T364 PolarHBondContact O-OG1 2.87Å; T364-W406 PolarHBondContact O-NE1 3.33Å; T364-W406 VanDerWaalsContact O-NE1 3.09Å; T364-F411 HydrophobicContact CG2-CZ 4.49Å
365I95.7Very high93.6Very high4 Ų433.9 Ų33.92%0.02119%0.189CC..  trans-122.1118.4-173.2-57.4160.3000111P343 V353 A355 C361 N367 L373P343-I365 HydrophobicContact CB-CD1 4.29Å; P343-I365 HydrophobicContact CB-CG1 4.28Å; V353-I365 HydrophobicContact CB-CD1 3.8Å; V353-I365 HydrophobicContact CB-CG1 4.07Å; V353-I365 HydrophobicContact CG1-CD1 3.51Å; V353-I365 HydrophobicContact CG1-CG1 4.27Å; A355-I365 HydrophobicContact CB-CD1 3.34Å; C361-I365 WeakPolarHBondContact O-CB 3.38Å; C361-I365 PolarHBondContact O-N 3.43Å; I365-N367 PolarHBondContact O-N 3.18Å; I365-L373 HydrophobicContact CB-CD2 4.05Å; I365-L373 HydrophobicContact CD1-CD2 4.12Å; I365-L373 HydrophobicContact CG2-CD2 4.09Å; I365-L373 HydrophobicContact CG2-CG 4.29Å
366N95.3Very high93.5Very high56 Ų5637.3 Ų37.330%0.29920%0.204SC..  trans-81.1106.3164.7-68.7-32.4000109.9G368 S369 T370 W406N366-G368 PolarHBondContact O-N 3.5Å; N366-S369 PolarHBondContact O-N 3.01Å; N366-T370 WeakPolarHBondContact CA-OG1 3.09Å; N366-T370 HydrophobicContact CB-CG2 4.17Å; N366-T370 PolarHBondContact N-OG1 3.12Å; N366-T370 PolarHBondContact O-N 2.71Å; N366-T370 PolarHBondContact O-OG1 2.83Å; N366-W406 VanDerWaalsContact ND2-CE3 3.29Å
367N96.8Very high93.5Very high98 Ų9838.1 Ų38.152%0.52421%0.21SC..BIsolated β-bridgetrans-56.5129.8-177.6-169.825000112.1I365 S369 L372 L373I365-N367 PolarHBondContact O-N 3.18Å; N367-S369 PolarHBondContact O-N 3.46Å; N367-L372 WeakPolarHBondContact OD1-CA 3.46Å; N367-L373 HydrophobicContact CB-CB 4.17Å; N367-L373 HydrophobicContact CB-CD1 4.05Å; N367-L373 HydrophobicContact CB-CG 4.02Å; N367-L373 PolarHBondContact OD1-N 2.87Å
368G95.7Very high93.6Very high47 Ų4736.4 Ų36.449%0.48520%0.203SC..THydrogen-bonded Turntrans75.1-3.8-176.900000115.3N366 G371N366-G368 PolarHBondContact O-N 3.5Å; G368-G371 PolarHBondContact N-O 3Å
369S97.1Very high93.7Very high38 Ų3838.1 Ų38.127%0.26621%0.209SC..THydrogen-bonded Turntrans-117.1-49.9-177.6177.30000112.6N366 N367 Y399 N402N366-S369 PolarHBondContact O-N 3.01Å; N367-S369 PolarHBondContact O-N 3.46Å; S369-Y399 WeakPolarHBondContact O-CD1 3.48Å; S369-N402 WeakPolarHBondContact O-CB 3.38Å; S369-N402 PolarHBondContact O-ND2 2.85Å; S369-N402 WeakPolarHBondContact OG-CB 3.44Å; S369-N402 PolarHBondContact OG-ND2 3.15Å; S369-N402 VanDerWaalsContact OG-ND2 3.15Å
370T97.3Very high94.1Very high6 Ų637.9 Ų37.94%0.03721%0.209CC..THydrogen-bonded Turntrans-113.8-2.9179.759.50000112.6P352 V353 N366 N402 C403 W406P352-T370 WeakPolarHBondContact CA-O 3.39Å; V353-T370 PolarHBondContact N-O 3.28Å; N366-T370 WeakPolarHBondContact CA-OG1 3.09Å; N366-T370 HydrophobicContact CB-CG2 4.17Å; N366-T370 PolarHBondContact N-OG1 3.12Å; N366-T370 PolarHBondContact O-N 2.71Å; N366-T370 PolarHBondContact O-OG1 2.83Å; T370-N402 HydrophobicContact CG2-CB 4.17Å; T370-C403 VanDerWaalsContact CA-SG 3.58Å; T370-C403 VanDerWaalsContact CB-SG 3.59Å; T370-C403 PolarHBondContact O-SG 2.81Å; T370-C403 VanDerWaalsContact O-SG 3.37Å; T370-W406 HydrophobicContact CG2-CB 3.92Å; T370-W406 HydrophobicContact CG2-CG 4.15Å
371G97.8Very high94.7Very high0 Ų037.9 Ų37.90%021%0.209CC..EExtended strand (participates in β ladder)trans169.8-170.2-174.200000111.8V353 G368V353-G371 CarbonylContact O-C 3.5Å; V353-G371 WeakPolarHBondContact O-CA 3.41Å; G368-G371 PolarHBondContact N-O 3Å
372L97.6Very high95Very high12 Ų1237.9 Ų37.96%0.06321%0.209CC..EExtended strand (participates in β ladder)trans-126.3121.5-179.6-61.9172.9000109.3V353 V354 A355 N367 V374 A384 K387 L388V353-L372 PolarHBondContact O-N 3.3Å; V354-L372 WeakPolarHBondContact CA-O 3.43Å; A355-L372 PolarHBondContact N-O 2.81Å; N367-L372 WeakPolarHBondContact OD1-CA 3.46Å; L372-V374 HydrophobicContact CB-CG1 4.49Å; L372-A384 HydrophobicContact CB-CB 4.33Å; L372-A384 HydrophobicContact CD1-CB 3.77Å; L372-K387 HydrophobicContact CD1-CD 3.96Å; L372-K387 HydrophobicContact CD1-CG 4.48Å; L372-K387 HydrophobicContact CD2-CD 4.31Å; L372-L388 HydrophobicContact CD1-CD1 4.12Å; L372-L388 HydrophobicContact CD1-CD2 4.25Å; L372-L388 HydrophobicContact CD1-CG 3.92Å
373L96.8Very high95Very high24 Ų2433.5 Ų33.513%0.12619%0.191CC..EExtended strand (participates in β ladder)trans-91.7123.1170.5-64.4-178.5000109A355 D357 C361 K362 I365 N367A355-L373 HydrophobicContact CB-CD2 4.17Å; A355-L373 CarbonylContact O-C 3.02Å; A355-L373 WeakPolarHBondContact O-CA 3.49Å; D357-L373 HydrophobicContact CB-CB 3.99Å; D357-L373 WeakPolarHBondContact OD1-CD1 3.41Å; C361-L373 HydrophobicContact CB-CD2 4.46Å; K362-L373 HydrophobicContact CG-CD1 4.1Å; I365-L373 HydrophobicContact CB-CD2 4.05Å; I365-L373 HydrophobicContact CD1-CD2 4.12Å; I365-L373 HydrophobicContact CG2-CD2 4.09Å; I365-L373 HydrophobicContact CG2-CG 4.29Å; N367-L373 HydrophobicContact CB-CB 4.17Å; N367-L373 HydrophobicContact CB-CD1 4.05Å; N367-L373 HydrophobicContact CB-CG 4.02Å; N367-L373 PolarHBondContact OD1-N 2.87Å
374V95.7Very high95.1Very high22 Ų2232.8 Ų32.813%0.13319%0.189CC..EExtended strand (participates in β ladder)trans-124.4163.1-172.8-60.50000112V354 A355 V356 D357 L372 F381 A384V354-V374 HydrophobicContact CG1-CG1 4.22Å; V354-V374 HydrophobicContact CG1-CG2 4.03Å; A355-V374 WeakPolarHBondContact O-CG2 3.44Å; A355-V374 PolarHBondContact O-N 3.29Å; V356-V374 CarbonylContact C-O 3.52Å; V356-V374 WeakPolarHBondContact CA-O 3.03Å; D357-V374 PolarHBondContact N-O 3.35Å; L372-V374 HydrophobicContact CB-CG1 4.49Å; V374-F381 HydrophobicContact CG2-CD1 4.46Å; V374-F381 HydrophobicContact CG2-CD2 3.7Å; V374-F381 HydrophobicContact CG2-CE1 4.41Å; V374-F381 HydrophobicContact CG2-CE2 3.65Å; V374-F381 HydrophobicContact CG2-CG 4.12Å; V374-F381 HydrophobicContact CG2-CZ 4.01Å; V374-A384 HydrophobicContact CG1-CB 3.87Å
375E93.5Very high95.2Very high150 Ų15032.6 Ų32.670%0.70119%0.187SC*.  trans-59.5148.6167.1-175.2178-174.600110.4S377E375-S377 PolarHBondContact O-N 3.12Å
376F94.5Very high95Very high72 Ų7232.4 Ų32.432%0.31619%0.186SC..SBendtrans-74.271.3174.6-172.4-135.3000111.7R212 I215 P335 V356R212-F376 HydrophobicContact CB-CE2 4.28Å; R212-F376 HydrophobicContact CB-CZ 4.07Å; R212-F376 HydrophobicContact CG-CZ 3.93Å; R212-F376 VanDerWaalsContact NH1-CZ 3.31Å; I215-F376 HydrophobicContact CB-CE2 4.47Å; I215-F376 HydrophobicContact CG1-CE2 3.77Å; I215-F376 HydrophobicContact CG1-CZ 4Å; I215-F376 HydrophobicContact CG2-CE2 4.48Å; P335-F376 HydrophobicContact CB-CD1 4.17Å; P335-F376 HydrophobicContact CB-CD2 4.44Å; P335-F376 HydrophobicContact CB-CE1 3.93Å; P335-F376 HydrophobicContact CB-CE2 4.2Å; P335-F376 HydrophobicContact CB-CG 4.42Å; P335-F376 HydrophobicContact CB-CZ 3.96Å; P335-F376 HydrophobicContact CG-CE1 3.95Å; P335-F376 HydrophobicContact CG-CE2 4.21Å; P335-F376 HydrophobicContact CG-CZ 3.7Å; V356-F376 HydrophobicContact CG1-CB 3.74Å; V356-F376 HydrophobicContact CG1-CG 4.4Å; V356-F376 HydrophobicContact CG2-CB 4.08Å; V356-F376 HydrophobicContact CG2-CD2 3.44Å; V356-F376 VanDerWaalsContact CG2-CD2 3.44Å; V356-F376 HydrophobicContact CG2-CE2 4.23Å; V356-F376 HydrophobicContact CG2-CG 4.07Å
377S93.7Very high94.9Very high26 Ų2633.3 Ų33.318%0.18219%0.188CC..SBendtrans-14514817869.40000110.6E375 Q379 G380 F381E375-S377 PolarHBondContact O-N 3.12Å; S377-Q379 PolarHBondContact O-N 2.99Å; S377-Q379 VanDerWaalsContact O-N 3.15Å; S377-G380 PolarHBondContact O-N 3.48Å; S377-G380 PolarHBondContact OG-N 2.77Å; S377-F381 WeakPolarHBondContact O-CD2 3.18Å; S377-F381 PolarHBondContact O-N 3.18Å
378P94.2Very high94.8Very high41 Ų4128.7 Ų28.727%0.26616%0.163SC..Hα-helixtrans-52-37.3173-29.237.1000112.6I215 A219 F381 A382I215-P378 HydrophobicContact CD1-CG 3.97Å; A219-P378 WeakPolarHBondContact CA-O 3.43Å; A219-P378 HydrophobicContact CB-CB 4.43Å; A219-P378 WeakPolarHBondContact CB-O 3.49Å; P378-F381 PolarHBondContact O-N 3Å; P378-A382 WeakPolarHBondContact O-CB 3.42Å; P378-A382 PolarHBondContact O-N 2.89Å
379Q92.1Very high94.7Very high56 Ų5627.5 Ų27.526%0.26215%0.146SC..Hα-helixtrans-65.7-45.5-179.6-172.45447.300112.8Y256 S377 F381 A382 D383Y256-Q379 HydrophobicContact CD1-CG 4.39Å; Y256-Q379 HydrophobicContact CE1-CG 3.73Å; S377-Q379 PolarHBondContact O-N 2.99Å; S377-Q379 VanDerWaalsContact O-N 3.15Å; Q379-F381 VanDerWaalsContact C-N 3.3Å; Q379-F381 PolarHBondContact O-N 2.69Å; Q379-A382 WeakPolarHBondContact O-CB 3.34Å; Q379-A382 PolarHBondContact O-N 3.42Å; Q379-A382 VanDerWaalsContact O-N 3.11Å; Q379-D383 PolarHBondContact NE2-OD2 2.94Å; Q379-D383 PolarHBondContact O-N 3.44Å
380G93.3Very high94.4Very high13 Ų1327.9 Ų27.913%0.13414%0.144CC..Hα-helixtrans-60-40.9177.200000112.5S377 A384S377-G380 PolarHBondContact O-N 3.48Å; S377-G380 PolarHBondContact OG-N 2.77Å; G380-A384 PolarHBondContact O-N 3.37Å
381F95.9Very high94.1Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-67.7-40.3173.6-80.4-96.7000112.1I215 A219 T333 V354 V356 V374 S377 P378 Q379 A384 M385I215-F381 HydrophobicContact CG2-CD2 3.94Å; I215-F381 HydrophobicContact CG2-CE2 4.22Å; I215-F381 HydrophobicContact CG2-CG 4.48Å; A219-F381 HydrophobicContact CB-CB 3.53Å; T333-F381 HydrophobicContact CG2-CD1 4.02Å; T333-F381 HydrophobicContact CG2-CE1 3.62Å; T333-F381 HydrophobicContact CG2-CE2 4.44Å; T333-F381 HydrophobicContact CG2-CZ 3.86Å; V354-F381 HydrophobicContact CB-CD1 4.35Å; V354-F381 HydrophobicContact CB-CE1 4.44Å; V354-F381 HydrophobicContact CG1-CD1 3.6Å; V354-F381 HydrophobicContact CG1-CE1 3.86Å; V354-F381 HydrophobicContact CG1-CG 4.3Å; V356-F381 HydrophobicContact CG2-CE2 3.95Å; V356-F381 HydrophobicContact CG2-CZ 3.91Å; V374-F381 HydrophobicContact CG2-CD1 4.46Å; V374-F381 HydrophobicContact CG2-CD2 3.7Å; V374-F381 HydrophobicContact CG2-CE1 4.41Å; V374-F381 HydrophobicContact CG2-CE2 3.65Å; V374-F381 HydrophobicContact CG2-CG 4.12Å; V374-F381 HydrophobicContact CG2-CZ 4.01Å; S377-F381 WeakPolarHBondContact O-CD2 3.18Å; S377-F381 PolarHBondContact O-N 3.18Å; P378-F381 PolarHBondContact O-N 3Å; Q379-F381 VanDerWaalsContact C-N 3.3Å; Q379-F381 PolarHBondContact O-N 2.69Å; F381-A384 PolarHBondContact O-N 2.91Å; F381-M385 WeakPolarHBondContact O-CG 3.09Å; F381-M385 PolarHBondContact O-N 3.14Å
382A94Very high94Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-62.1-44.5177.900000112.7A219 F223 L259 P378 Q379 A384 M385 A386A219-A382 HydrophobicContact CB-CB 4.47Å; A219-A382 WeakPolarHBondContact O-CB 3.35Å; F223-A382 HydrophobicContact CB-CB 4.27Å; L259-A382 HydrophobicContact CD1-CB 4.27Å; L259-A382 HydrophobicContact CD2-CB 4.46Å; P378-A382 WeakPolarHBondContact O-CB 3.42Å; P378-A382 PolarHBondContact O-N 2.89Å; Q379-A382 WeakPolarHBondContact O-CB 3.34Å; Q379-A382 PolarHBondContact O-N 3.42Å; Q379-A382 VanDerWaalsContact O-N 3.11Å; A382-A384 VanDerWaalsContact C-N 3.34Å; A382-A384 PolarHBondContact O-N 2.87Å; A382-M385 HydrophobicContact CB-CE 4.31Å; A382-M385 PolarHBondContact O-N 3.06Å; A382-A386 WeakPolarHBondContact O-CB 3.47Å; A382-A386 PolarHBondContact O-N 2.81Å
383D91.8Very high93.8Very high13 Ų1337 Ų377%0.0719%0.192CC..Hα-helixtrans-64.6-38.6176.3-75.2-49.7000112.1L259 Q379 A386 K387L259-D383 VanDerWaalsContact CD1-OD1 3.25Å; L259-D383 WeakPolarHBondContact CD1-OD1 3.39Å; L259-D383 VanDerWaalsContact CG-OD1 3.27Å; L259-D383 WeakPolarHBondContact CG-OD1 3.5Å; Q379-D383 PolarHBondContact NE2-OD2 2.94Å; Q379-D383 PolarHBondContact O-N 3.44Å; D383-A386 PolarHBondContact O-N 2.93Å; D383-K387 WeakPolarHBondContact O-CB 3.46Å; D383-K387 PolarHBondContact O-N 3.15Å
384A95.2Very high93.8Very high6 Ų641.7 Ų41.75%0.0521%0.213CC..Hα-helixtrans-66.5-40.6174.700000112.5V354 L372 V374 G380 F381 A382 K387 L388V354-A384 HydrophobicContact CB-CB 4.43Å; V354-A384 HydrophobicContact CG1-CB 3.56Å; V354-A384 HydrophobicContact CG2-CB 3.94Å; L372-A384 HydrophobicContact CB-CB 4.33Å; L372-A384 HydrophobicContact CD1-CB 3.77Å; V374-A384 HydrophobicContact CG1-CB 3.87Å; G380-A384 PolarHBondContact O-N 3.37Å; F381-A384 PolarHBondContact O-N 2.91Å; A382-A384 VanDerWaalsContact C-N 3.34Å; A382-A384 PolarHBondContact O-N 2.87Å; A384-K387 PolarHBondContact O-N 3.23Å; A384-L388 WeakPolarHBondContact O-CG 3.49Å; A384-L388 PolarHBondContact O-N 2.78Å
385M95.1Very high93.9Very high0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-59.9-46.1171.7-74.3-173.5-69.500111.2F201 A219 F220 F223 L331 F381 A382 K387 L388 L389F201-M385 HydrophobicContact CD1-CG 3.89Å; F201-M385 HydrophobicContact CD1-SD 4.41Å; F201-M385 HydrophobicContact CD2-CG 4.26Å; F201-M385 HydrophobicContact CD2-SD 4.05Å; F201-M385 HydrophobicContact CE1-CB 3.99Å; F201-M385 HydrophobicContact CE1-CG 3.76Å; F201-M385 HydrophobicContact CE2-CB 3.99Å; F201-M385 HydrophobicContact CE2-CG 4.13Å; F201-M385 HydrophobicContact CE2-SD 4.36Å; F201-M385 HydrophobicContact CG-CG 4.14Å; F201-M385 HydrophobicContact CG-SD 4.08Å; F201-M385 HydrophobicContact CZ-CB 3.67Å; F201-M385 HydrophobicContact CZ-CG 3.89Å; F201-M385 WeakPolarHBondContact CZ-O 3.48Å; A219-M385 VanDerWaalsContact C-CE 3.4Å; A219-M385 HydrophobicContact CB-CE 3.58Å; A219-M385 WeakPolarHBondContact O-CE 3.3Å; F220-M385 HydrophobicContact CD2-SD 4.37Å; F223-M385 HydrophobicContact CB-CE 4Å; F223-M385 HydrophobicContact CD2-CB 3.9Å; F223-M385 HydrophobicContact CE2-CB 3.97Å; F223-M385 HydrophobicContact CG-CE 4.42Å; L331-M385 HydrophobicContact CD1-CG 4.32Å; L331-M385 HydrophobicContact CD1-SD 3.58Å; L331-M385 VanDerWaalsContact CD1-SD 3.58Å; L331-M385 HydrophobicContact CD2-CG 3.8Å; L331-M385 HydrophobicContact CD2-SD 4.18Å; F381-M385 WeakPolarHBondContact O-CG 3.09Å; F381-M385 PolarHBondContact O-N 3.14Å; A382-M385 HydrophobicContact CB-CE 4.31Å; A382-M385 PolarHBondContact O-N 3.06Å; M385-K387 VanDerWaalsContact C-N 3.33Å; M385-K387 PolarHBondContact O-N 2.87Å; M385-L388 PolarHBondContact O-N 2.72Å; M385-L389 WeakPolarHBondContact O-CB 3.49Å; M385-L389 PolarHBondContact O-N 3.03Å
386A92.1Very high94Very high0 Ų040.7 Ų40.70%021%0.208CC..Hα-helixtrans-59.5-43.7176.500000112.3F223 H258 L259 L262 A382 D383 L389 L390F223-A386 HydrophobicContact CD2-CB 4.34Å; F223-A386 HydrophobicContact CE2-CB 4.29Å; H258-A386 HydrophobicContact CB-CB 3.91Å; L259-A386 HydrophobicContact CD2-CB 3.84Å; L259-A386 HydrophobicContact CG-CB 4.23Å; L262-A386 HydrophobicContact CB-CB 4.31Å; L262-A386 HydrophobicContact CD1-CB 3.54Å; A382-A386 WeakPolarHBondContact O-CB 3.47Å; A382-A386 PolarHBondContact O-N 2.81Å; D383-A386 PolarHBondContact O-N 2.93Å; A386-L389 PolarHBondContact O-N 2.98Å; A386-L390 WeakPolarHBondContact O-CB 3.44Å; A386-L390 VanDerWaalsContact O-CG 3.25Å; A386-L390 WeakPolarHBondContact O-CG 3.48Å; A386-L390 PolarHBondContact O-N 3.22Å
387K92.9Very high94.2Very high75 Ų7542 Ų4233%0.32622%0.215SC..Hα-helixtrans-60.6-45.8176-178.8176.1176-177.80112.3L372 D383 A384 M385 L390 A391L372-K387 HydrophobicContact CD1-CD 3.96Å; L372-K387 HydrophobicContact CD1-CG 4.48Å; L372-K387 HydrophobicContact CD2-CD 4.31Å; D383-K387 WeakPolarHBondContact O-CB 3.46Å; D383-K387 PolarHBondContact O-N 3.15Å; A384-K387 PolarHBondContact O-N 3.23Å; M385-K387 VanDerWaalsContact C-N 3.33Å; M385-K387 PolarHBondContact O-N 2.87Å; K387-L390 PolarHBondContact O-N 3.16Å; K387-A391 PolarHBondContact O-N 2.81Å; K387-A391 VanDerWaalsContact O-N 3.1Å
388L94.7Very high94.4Very high1 Ų147.5 Ų47.51%0.00524%0.236CC..Hα-helixtrans-73.2-32.8-178.4-69.7172.5000112.8F201 A329 P352 V354 L372 A384 M385 L390 A391 Y399F201-L388 HydrophobicContact CE1-CB 4.36Å; A329-L388 HydrophobicContact CB-CD1 3.57Å; P352-L388 HydrophobicContact CB-CD1 4.36Å; P352-L388 HydrophobicContact CB-CD2 4.1Å; P352-L388 HydrophobicContact CG-CD1 4.26Å; P352-L388 HydrophobicContact CG-CD2 3.95Å; V354-L388 HydrophobicContact CG2-CD1 3.54Å; L372-L388 HydrophobicContact CD1-CD1 4.12Å; L372-L388 HydrophobicContact CD1-CD2 4.25Å; L372-L388 HydrophobicContact CD1-CG 3.92Å; A384-L388 WeakPolarHBondContact O-CG 3.49Å; A384-L388 PolarHBondContact O-N 2.78Å; M385-L388 PolarHBondContact O-N 2.72Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-A391 WeakPolarHBondContact O-CB 3.21Å; L388-A391 PolarHBondContact O-N 2.82Å; L388-Y399 HydrophobicContact CD2-CD2 4.42Å; L388-Y399 HydrophobicContact CD2-CE2 3.93Å
389L92.7Very high94.5Very high23 Ų2346.5 Ų46.512%0.1223%0.227CC..Hα-helixtrans-67.5-36.2172.8-173.869.4000112V199 F201 F223 L262 V266 W271 V274 L328 M385 A386 A391V199-L389 HydrophobicContact CG1-CD1 4.13Å; F201-L389 HydrophobicContact CZ-CB 4.43Å; F223-L389 HydrophobicContact CE2-CD2 4.39Å; F223-L389 HydrophobicContact CZ-CD2 3.77Å; L262-L389 HydrophobicContact CD1-CD2 4.09Å; V266-L389 HydrophobicContact CG1-CD2 4.39Å; V266-L389 HydrophobicContact CG2-CD2 4.25Å; W271-L389 HydrophobicContact CE3-CD2 4.21Å; W271-L389 HydrophobicContact CZ3-CD2 4.09Å; V274-L389 HydrophobicContact CG2-CD1 3.81Å; V274-L389 HydrophobicContact CG2-CD2 3.95Å; L328-L389 HydrophobicContact CD2-CB 4.4Å; L328-L389 HydrophobicContact CD2-CD1 3.92Å; M385-L389 WeakPolarHBondContact O-CB 3.49Å; M385-L389 PolarHBondContact O-N 3.03Å; A386-L389 PolarHBondContact O-N 2.98Å; L389-A391 VanDerWaalsContact C-N 3.3Å
390L90.8Very high94.8Very high46 Ų4645.4 Ų45.424%0.24123%0.227CC..THydrogen-bonded Turntrans-82.4-5.6178-70.2174.7000113.8R261 L262 L265 V266 A386 K387 L388R261-L390 HydrophobicContact CB-CD1 4.05Å; L262-L390 HydrophobicContact CB-CD1 4.09Å; L265-L390 HydrophobicContact CB-CD2 3.94Å; L265-L390 HydrophobicContact CD1-CD2 4.32Å; V266-L390 HydrophobicContact CG2-CD2 3.58Å; A386-L390 WeakPolarHBondContact O-CB 3.44Å; A386-L390 VanDerWaalsContact O-CG 3.25Å; A386-L390 WeakPolarHBondContact O-CG 3.48Å; A386-L390 PolarHBondContact O-N 3.22Å; K387-L390 PolarHBondContact O-N 3.16Å; L388-L390 VanDerWaalsContact C-N 3.33Å
391A92.8Very high95Very high18 Ų1847.6 Ų47.615%0.14924%0.244CC..  trans-65.6140-177.600000110.6K387 L388 L389 E395 L396K387-A391 PolarHBondContact O-N 2.81Å; K387-A391 VanDerWaalsContact O-N 3.1Å; L388-A391 WeakPolarHBondContact O-CB 3.21Å; L388-A391 PolarHBondContact O-N 2.82Å; L389-A391 VanDerWaalsContact C-N 3.3Å; A391-E395 VanDerWaalsContact CA-OE2 3.29Å; A391-E395 WeakPolarHBondContact CA-OE2 3.34Å; A391-E395 HydrophobicContact CB-CB 4.1Å; A391-L396 HydrophobicContact CB-CD2 4Å; A391-L396 HydrophobicContact CB-CG 4.01Å
392S93.9Very high95.2Very high45 Ų4549.2 Ų49.232%0.31525%0.253SS..  trans-67.9164.5173.890.80000110.9E394 E395 L396S392-E394 VanDerWaalsContact CB-OE2 3.23Å; S392-E394 WeakPolarHBondContact CB-OE2 3.04Å; S392-E394 PolarHBondContact O-N 3.45Å; S392-E394 PolarHBondContact OG-N 3.08Å; S392-E394 PolarHBondContact OG-OE2 3.38Å; S392-E395 PolarHBondContact N-OE2 3.09Å; S392-E395 PolarHBondContact O-N 3.5Å; S392-E395 PolarHBondContact OG-N 2.9Å; S392-L396 PolarHBondContact O-N 3.06Å
393K94.8Very high95.3Very high145 Ų14549.3 Ų49.363%0.6325%0.254SS*.Hα-helixtrans-57.5-41.6174.9-170-171.9-179.4-138.70111E395 L396 E397K393-E395 PolarHBondContact O-N 3.21Å; K393-L396 PolarHBondContact O-N 2.91Å; K393-E397 WeakPolarHBondContact CE-OE1 3.41Å; K393-E397 HydrophobicContact CG-CG 4.48Å; K393-E397 IonicContact NZ-OE1 3Å; K393-E397 PolarHBondContact NZ-OE1 2.97Å; K393-E397 WeakPolarHBondContact O-CB 3.5Å; K393-E397 VanDerWaalsContact O-CG 3.31Å; K393-E397 WeakPolarHBondContact O-CG 3.45Å; K393-E397 PolarHBondContact O-N 3.09Å
394E97.1Very high95.5Very high124 Ų12454.7 Ų54.758%0.57928%0.276SS*.Hα-helixtrans-64.6-38.6178.6-57.173.3-15900111.8S392 K398S392-E394 VanDerWaalsContact CB-OE2 3.23Å; S392-E394 WeakPolarHBondContact CB-OE2 3.04Å; S392-E394 PolarHBondContact O-N 3.45Å; S392-E394 PolarHBondContact OG-N 3.08Å; S392-E394 PolarHBondContact OG-OE2 3.38Å; E394-K398 WeakPolarHBondContact O-CB 3.47Å; E394-K398 PolarHBondContact O-N 3.25Å
395E96.5Very high95.6Very high103 Ų10360.8 Ų60.848%0.48130%0.304SS..Hα-helixtrans-65.2-42.6175-70.5-178.9118.700111.6A391 S392 K393 K398 Y399A391-E395 VanDerWaalsContact CA-OE2 3.29Å; A391-E395 WeakPolarHBondContact CA-OE2 3.34Å; A391-E395 HydrophobicContact CB-CB 4.1Å; S392-E395 PolarHBondContact N-OE2 3.09Å; S392-E395 PolarHBondContact O-N 3.5Å; S392-E395 PolarHBondContact OG-N 2.9Å; K393-E395 PolarHBondContact O-N 3.21Å; E395-K398 WeakPolarHBondContact O-CB 3.48Å; E395-K398 PolarHBondContact O-N 3.33Å; E395-Y399 VanDerWaalsContact O-CD2 3.22Å; E395-Y399 WeakPolarHBondContact O-CD2 3.28Å; E395-Y399 PolarHBondContact O-N 3.41Å
396L96.5Very high95.7Very high47 Ų4763.7 Ų63.725%0.24632%0.315CS..Hα-helixtrans-67.6-40.4176.3-67.2175000112.2L328 A391 S392 K393 K398 Y399 A400L328-L396 HydrophobicContact CD1-CD1 3.87Å; L328-L396 HydrophobicContact CD1-CD2 4.22Å; A391-L396 HydrophobicContact CB-CD2 4Å; A391-L396 HydrophobicContact CB-CG 4.01Å; S392-L396 PolarHBondContact O-N 3.06Å; K393-L396 PolarHBondContact O-N 2.91Å; L396-K398 VanDerWaalsContact C-N 3.27Å; L396-K398 PolarHBondContact O-N 3.43Å; L396-Y399 PolarHBondContact O-N 3.4Å; L396-A400 PolarHBondContact O-N 2.94Å
397E97.4Very high95.9Very high100 Ų10064.1 Ų64.147%0.46732%0.317SS..Hα-helixtrans-61.5-36.7173.4-75.7173.4-179.900111.3K393 A400 A401K393-E397 WeakPolarHBondContact CE-OE1 3.41Å; K393-E397 HydrophobicContact CG-CG 4.48Å; K393-E397 IonicContact NZ-OE1 3Å; K393-E397 PolarHBondContact NZ-OE1 2.97Å; K393-E397 WeakPolarHBondContact O-CB 3.5Å; K393-E397 VanDerWaalsContact O-CG 3.31Å; K393-E397 WeakPolarHBondContact O-CG 3.45Å; K393-E397 PolarHBondContact O-N 3.09Å; E397-A400 PolarHBondContact O-N 3.48Å; E397-A401 WeakPolarHBondContact O-CB 3.43Å; E397-A401 PolarHBondContact O-N 2.77Å
398K98Very high96.1Very high141 Ų14165.8 Ų65.861%0.61333%0.326SS*.Hα-helixtrans-65.6-44.5173.6-174.1178.9-178.6179.30112.3E394 E395 L396 A400 A401 N402E394-K398 WeakPolarHBondContact O-CB 3.47Å; E394-K398 PolarHBondContact O-N 3.25Å; E395-K398 WeakPolarHBondContact O-CB 3.48Å; E395-K398 PolarHBondContact O-N 3.33Å; L396-K398 VanDerWaalsContact C-N 3.27Å; L396-K398 PolarHBondContact O-N 3.43Å; K398-A400 VanDerWaalsContact C-N 3.3Å; K398-A400 PolarHBondContact O-N 3.31Å; K398-A401 PolarHBondContact O-N 3.35Å; K398-N402 WeakPolarHBondContact O-CB 3.02Å; K398-N402 PolarHBondContact O-N 2.81Å; K398-N402 PolarHBondContact O-ND2 3.46Å
399Y98Very high96.1Very high21 Ų2169 Ų698%0.08235%0.349CS..Hα-helixtrans-56.5-46.9172.1-82.6-72.3000110.9P352 S369 L388 E395 L396 A401 N402 C403P352-Y399 HydrophobicContact CB-CD1 3.9Å; P352-Y399 HydrophobicContact CB-CD2 4.5Å; P352-Y399 HydrophobicContact CB-CE1 4.4Å; P352-Y399 HydrophobicContact CB-CG 3.97Å; P352-Y399 HydrophobicContact CG-CG 4.49Å; S369-Y399 WeakPolarHBondContact O-CD1 3.48Å; L388-Y399 HydrophobicContact CD2-CD2 4.42Å; L388-Y399 HydrophobicContact CD2-CE2 3.93Å; E395-Y399 VanDerWaalsContact O-CD2 3.22Å; E395-Y399 WeakPolarHBondContact O-CD2 3.28Å; E395-Y399 PolarHBondContact O-N 3.41Å; L396-Y399 PolarHBondContact O-N 3.4Å; Y399-A401 PolarHBondContact O-N 2.92Å; Y399-N402 PolarHBondContact O-N 3.25Å; Y399-C403 WeakPolarHBondContact O-CB 3.37Å; Y399-C403 PolarHBondContact O-N 2.84Å; Y399-C403 PolarHBondContact O-SG 2.87Å
400A97.8Very high96.3Very high32 Ų3269.4 Ų69.426%0.26435%0.352SS..Hα-helixtrans-60.6-45.2-179.800000112.7G350 L396 E397 K398 C403 K404G350-A400 VanDerWaalsContact O-CA 3.32Å; G350-A400 WeakPolarHBondContact O-CA 3.45Å; G350-A400 WeakPolarHBondContact O-CB 3.14Å; L396-A400 PolarHBondContact O-N 2.94Å; E397-A400 PolarHBondContact O-N 3.48Å; K398-A400 VanDerWaalsContact C-N 3.3Å; K398-A400 PolarHBondContact O-N 3.31Å; A400-C403 PolarHBondContact O-N 3.38Å; A400-K404 PolarHBondContact O-N 3.44Å
401A98.1Very high96.6Very high59 Ų5967.3 Ų67.349%0.48834%0.341SS..Hα-helixtrans-62.6-45.5177.300000112.2E397 K398 Y399 K404 Q405E397-A401 WeakPolarHBondContact O-CB 3.43Å; E397-A401 PolarHBondContact O-N 2.77Å; K398-A401 PolarHBondContact O-N 3.35Å; Y399-A401 PolarHBondContact O-N 2.92Å; A401-K404 PolarHBondContact O-N 3Å; A401-Q405 PolarHBondContact O-N 3.43Å
402N98.3Very high96.7Very high35 Ų3567.6 Ų67.619%0.18734%0.342CS..Hα-helixtrans-64.2-42.3177.4-68.9-22.9000111.8S369 T370 K398 Y399 Q405 W406S369-N402 WeakPolarHBondContact O-CB 3.38Å; S369-N402 PolarHBondContact O-ND2 2.85Å; S369-N402 WeakPolarHBondContact OG-CB 3.44Å; S369-N402 PolarHBondContact OG-ND2 3.15Å; S369-N402 VanDerWaalsContact OG-ND2 3.15Å; T370-N402 HydrophobicContact CG2-CB 4.17Å; K398-N402 WeakPolarHBondContact O-CB 3.02Å; K398-N402 PolarHBondContact O-N 2.81Å; K398-N402 PolarHBondContact O-ND2 3.46Å; Y399-N402 PolarHBondContact O-N 3.25Å; N402-Q405 PolarHBondContact O-N 2.9Å; N402-W406 VanDerWaalsContact O-CB 3.27Å; N402-W406 WeakPolarHBondContact O-CB 3.37Å; N402-W406 PolarHBondContact O-N 3.27Å
403C97.7Very high96.6Very high2 Ų266.9 Ų66.91%0.01433%0.334CS..Hα-helixtrans-58.1-50.6175.3-77.50000110.4G347 T370 Y399 A400 Q405 W406 I407G347-C403 VanDerWaalsContact O-CB 3.3Å; G347-C403 WeakPolarHBondContact O-CB 3.37Å; T370-C403 VanDerWaalsContact CA-SG 3.58Å; T370-C403 VanDerWaalsContact CB-SG 3.59Å; T370-C403 PolarHBondContact O-SG 2.81Å; T370-C403 VanDerWaalsContact O-SG 3.37Å; Y399-C403 WeakPolarHBondContact O-CB 3.37Å; Y399-C403 PolarHBondContact O-N 2.84Å; Y399-C403 PolarHBondContact O-SG 2.87Å; A400-C403 PolarHBondContact O-N 3.38Å; C403-Q405 PolarHBondContact O-N 3.28Å; C403-W406 PolarHBondContact O-N 3.47Å; C403-W406 VanDerWaalsContact O-N 3.16Å; C403-I407 VanDerWaalsContact O-CG1 3.31Å; C403-I407 WeakPolarHBondContact O-CG1 3.39Å; C403-I407 PolarHBondContact O-N 3.29Å
404K96Very high96.6Very high125 Ų12566 Ų6654%0.54334%0.336SS..Hα-helixtrans-56.8-49.2178.2-177174.7177.4177.70112.1A400 A401 W406 I407 E408A400-K404 PolarHBondContact O-N 3.44Å; A401-K404 PolarHBondContact O-N 3Å; K404-W406 VanDerWaalsContact C-N 3.31Å; K404-W406 PolarHBondContact O-N 3.37Å; K404-I407 PolarHBondContact O-N 2.99Å; K404-E408 WeakPolarHBondContact CE-OE1 3.32Å; K404-E408 HydrophobicContact CG-CG 4.44Å; K404-E408 WeakPolarHBondContact CG-OE1 3.27Å; K404-E408 IonicContact NZ-OE1 3.78Å; K404-E408 WeakPolarHBondContact O-CB 3.35Å; K404-E408 WeakPolarHBondContact O-CG 3.39Å; K404-E408 PolarHBondContact O-N 3.06Å
405Q97.4Very high96.6Very high134 Ų13462.4 Ų62.463%0.62632%0.323SS*.Hα-helixtrans-59.6-42.4177.4-177.2-177.6-1.200112A401 N402 C403 S409A401-Q405 PolarHBondContact O-N 3.43Å; N402-Q405 PolarHBondContact O-N 2.9Å; C403-Q405 PolarHBondContact O-N 3.28Å; Q405-S409 WeakPolarHBondContact O-CB 3.42Å; Q405-S409 PolarHBondContact O-N 3.44Å; Q405-S409 PolarHBondContact O-OG 2.89Å
406W96.9Very high96.6Very high62 Ų6257.8 Ų57.824%0.23530%0.301CS..Hα-helixtrans-65.4-46180-172.9-127.5000112.1E363 T364 N366 T370 N402 C403 K404 S409 T410 F411E363-W406 WeakPolarHBondContact O-CZ2 3.17Å; T364-W406 PolarHBondContact O-NE1 3.33Å; T364-W406 VanDerWaalsContact O-NE1 3.09Å; N366-W406 VanDerWaalsContact ND2-CE3 3.29Å; T370-W406 HydrophobicContact CG2-CB 3.92Å; T370-W406 HydrophobicContact CG2-CG 4.15Å; N402-W406 VanDerWaalsContact O-CB 3.27Å; N402-W406 WeakPolarHBondContact O-CB 3.37Å; N402-W406 PolarHBondContact O-N 3.27Å; C403-W406 PolarHBondContact O-N 3.47Å; C403-W406 VanDerWaalsContact O-N 3.16Å; K404-W406 VanDerWaalsContact C-N 3.31Å; K404-W406 PolarHBondContact O-N 3.37Å; W406-S409 PolarHBondContact O-OG 3.47Å; W406-T410 HydrophobicContact CH2-CG2 4.48Å; W406-T410 HydrophobicContact CZ2-CG2 4.47Å; W406-T410 WeakPolarHBondContact O-CB 3.27Å; W406-T410 PolarHBondContact O-N 3.17Å; W406-T410 PolarHBondContact O-OG1 2.82Å; W406-F411 AromaticContact CD1-CE2 3.93Å; W406-F411 AromaticContact CE2-CE2 3.85Å; W406-F411 HydrophobicContact CZ2-CE2 4.28Å; W406-F411 AromaticContact NE1-CE2 3.44Å
407I96.3Very high96.6Very high9 Ų957.8 Ų57.85%0.04630%0.299CS..Iπ-helixtrans-61.4-50.3175.1-65.5-47.2000110.9V178 I344 C403 K404 S409 T410 F411 S412V178-I407 HydrophobicContact CG2-CD1 4.24Å; V178-I407 HydrophobicContact CG2-CG2 3.54Å; I344-I407 HydrophobicContact CB-CD1 3.79Å; I344-I407 HydrophobicContact CG2-CD1 4.25Å; I344-I407 WeakPolarHBondContact O-CD1 3.42Å; C403-I407 VanDerWaalsContact O-CG1 3.31Å; C403-I407 WeakPolarHBondContact O-CG1 3.39Å; C403-I407 PolarHBondContact O-N 3.29Å; K404-I407 PolarHBondContact O-N 2.99Å; I407-S409 VanDerWaalsContact C-N 3.33Å; I407-S409 PolarHBondContact O-N 3.2Å; I407-T410 PolarHBondContact O-N 3.33Å; I407-F411 HydrophobicContact CD1-CB 4.24Å; I407-F411 HydrophobicContact CD1-CD2 3.91Å; I407-F411 CarbonylContact O-C 3.57Å; I407-F411 VanDerWaalsContact O-C 3.26Å; I407-F411 WeakPolarHBondContact O-CA 3.25Å; I407-F411 PolarHBondContact O-N 2.81Å; I407-S412 PolarHBondContact O-N 3.34Å
408E95.8Very high96.6Very high110 Ų11060 Ų6051%0.51431%0.308SS..Iπ-helixtrans-59.9-42.8-177.3-76.5175.5-176.600112.5K404 S412K404-E408 WeakPolarHBondContact CE-OE1 3.32Å; K404-E408 HydrophobicContact CG-CG 4.44Å; K404-E408 WeakPolarHBondContact CG-OE1 3.27Å; K404-E408 IonicContact NZ-OE1 3.78Å; K404-E408 WeakPolarHBondContact O-CB 3.35Å; K404-E408 WeakPolarHBondContact O-CG 3.39Å; K404-E408 PolarHBondContact O-N 3.06Å; E408-S412 WeakPolarHBondContact O-CB 3.46Å; E408-S412 PolarHBondContact O-OG 2.94Å
409S96.5Very high96.5Very high69 Ų6955.3 Ų55.348%0.48329%0.291SS..Iπ-helixtrans-79.1-25.3-176.658.70000114.8Q405 W406 I407Q405-S409 WeakPolarHBondContact O-CB 3.42Å; Q405-S409 PolarHBondContact O-N 3.44Å; Q405-S409 PolarHBondContact O-OG 2.89Å; W406-S409 PolarHBondContact O-OG 3.47Å; I407-S409 VanDerWaalsContact C-N 3.33Å; I407-S409 PolarHBondContact O-N 3.2Å
410T96.1Very high96.4Very high30 Ų3054.3 Ų54.318%0.18429%0.287CS..Iπ-helixtrans-124-40.1-169.4-49.50000113.8Y175 W406 I407 V415Y175-T410 HydrophobicContact CD2-CG2 4.26Å; Y175-T410 HydrophobicContact CE2-CG2 4.41Å; W406-T410 HydrophobicContact CH2-CG2 4.48Å; W406-T410 HydrophobicContact CZ2-CG2 4.47Å; W406-T410 WeakPolarHBondContact O-CB 3.27Å; W406-T410 PolarHBondContact O-N 3.17Å; W406-T410 PolarHBondContact O-OG1 2.82Å; I407-T410 PolarHBondContact O-N 3.33Å; T410-V415 WeakPolarHBondContact O-CG1 3.42Å
411F96.3Very high96.4Very high2 Ų255.4 Ų55.41%0.00929%0.285CS..Iπ-helixtrans-121.118.7-170.2-54.7-64.8000113.3Y175 P176 A177 V178 F339 I344 E363 T364 W406 I407Y175-F411 AromaticContact CD1-CE1 3.9Å; Y175-F411 HydrophobicContact CD1-CE1 3.9Å; Y175-F411 HydrophobicContact CD2-CE1 4.25Å; Y175-F411 HydrophobicContact CE1-CE1 4.47Å; Y175-F411 HydrophobicContact CG-CD1 4.36Å; Y175-F411 AromaticContact CG-CE1 3.78Å; Y175-F411 HydrophobicContact CG-CE1 3.78Å; P176-F411 WeakPolarHBondContact O-CD1 3.22Å; A177-F411 CarbonylContact C-O 3.44Å; A177-F411 WeakPolarHBondContact CA-O 3.33Å; V178-F411 PolarHBondContact N-O 2.99Å; F339-F411 HydrophobicContact CE2-CD1 4.36Å; F339-F411 AromaticContact CE2-CE1 3.66Å; F339-F411 HydrophobicContact CE2-CE1 3.66Å; F339-F411 HydrophobicContact CE2-CZ 4.29Å; F339-F411 AromaticContact CZ-CD1 3.86Å; F339-F411 HydrophobicContact CZ-CD1 3.86Å; F339-F411 AromaticContact CZ-CE1 3.6Å; F339-F411 HydrophobicContact CZ-CE1 3.6Å; F339-F411 HydrophobicContact CZ-CZ 4.36Å; I344-F411 HydrophobicContact CB-CD2 4.44Å; I344-F411 HydrophobicContact CB-CG 4.45Å; I344-F411 HydrophobicContact CD1-CB 4.09Å; I344-F411 HydrophobicContact CD1-CD1 4.46Å; I344-F411 HydrophobicContact CD1-CG 4.33Å; I344-F411 HydrophobicContact CG2-CD1 4.31Å; I344-F411 HydrophobicContact CG2-CD2 3.73Å; I344-F411 HydrophobicContact CG2-CE1 4.5Å; I344-F411 HydrophobicContact CG2-CE2 3.91Å; I344-F411 HydrophobicContact CG2-CG 3.93Å; I344-F411 HydrophobicContact CG2-CZ 4.3Å; E363-F411 WeakPolarHBondContact O-CZ 3.41Å; T364-F411 HydrophobicContact CG2-CZ 4.49Å; W406-F411 AromaticContact CD1-CE2 3.93Å; W406-F411 AromaticContact CE2-CE2 3.85Å; W406-F411 HydrophobicContact CZ2-CE2 4.28Å; W406-F411 AromaticContact NE1-CE2 3.44Å; I407-F411 HydrophobicContact CD1-CB 4.24Å; I407-F411 HydrophobicContact CD1-CD2 3.91Å; I407-F411 CarbonylContact O-C 3.57Å; I407-F411 VanDerWaalsContact O-C 3.26Å; I407-F411 WeakPolarHBondContact O-CA 3.25Å; I407-F411 PolarHBondContact O-N 2.81Å
412S94.4Very high96.2Very high24 Ų2456.1 Ų56.117%0.16828%0.281CS..SBendtrans-76.2151.4174.765.50000110.8I407 E408 N414 V415 F416I407-S412 PolarHBondContact O-N 3.34Å; E408-S412 WeakPolarHBondContact O-CB 3.46Å; E408-S412 PolarHBondContact O-OG 2.94Å; S412-N414 PolarHBondContact O-N 2.99Å; S412-V415 PolarHBondContact O-N 3.42Å; S412-V415 VanDerWaalsContact O-N 3.1Å; S412-V415 VanDerWaalsContact OG-CG2 3.3Å; S412-V415 WeakPolarHBondContact OG-CG2 3.34Å; S412-V415 PolarHBondContact OG-N 2.91Å; S412-F416 PolarHBondContact O-N 3.08Å
413L93Very high96Very high31 Ų3155.1 Ų55.116%0.16228%0.275CS..Hα-helixtrans-55.5-33.7174.3-71.7168.6000111.8A177 N180 F416 K417A177-L413 HydrophobicContact CB-CD2 3.7Å; A177-L413 HydrophobicContact CB-CG 4.18Å; N180-L413 HydrophobicContact CB-CD1 4.18Å; N180-L413 HydrophobicContact CB-CD2 4.33Å; N180-L413 VanDerWaalsContact ND2-CD1 3.34Å; N180-L413 WeakPolarHBondContact ND2-CD1 3.31Å; L413-F416 PolarHBondContact O-N 3.5Å; L413-K417 WeakPolarHBondContact O-CB 3.26Å; L413-K417 WeakPolarHBondContact O-CG 3.21Å; L413-K417 PolarHBondContact O-N 3.15Å
414N94.4Very high95.8Very high125 Ų12555.6 Ų55.667%0.66828%0.278SS*.Hα-helixtrans-66.3-43.5177.8-70.7-16.9000112.3S412 F416 K417 K418S412-N414 PolarHBondContact O-N 2.99Å; N414-F416 VanDerWaalsContact C-N 3.35Å; N414-K417 PolarHBondContact O-N 2.73Å; N414-K418 WeakPolarHBondContact O-CB 3.2Å; N414-K418 PolarHBondContact O-N 3.15Å
415V96.5Very high95.6Very high50 Ų5055.8 Ų55.830%0.30328%0.281SS..Hα-helixtrans-64.9-42.1176.3172.30000110.7T410 S412 T419T410-V415 WeakPolarHBondContact O-CG1 3.42Å; S412-V415 PolarHBondContact O-N 3.42Å; S412-V415 VanDerWaalsContact O-N 3.1Å; S412-V415 VanDerWaalsContact OG-CG2 3.3Å; S412-V415 WeakPolarHBondContact OG-CG2 3.34Å; S412-V415 PolarHBondContact OG-N 2.91Å; V415-T419 WeakPolarHBondContact O-CB 3.24Å; V415-T419 PolarHBondContact O-N 3.17Å; V415-T419 PolarHBondContact O-OG1 2.96Å
416F97.1Very high95.2Very high5 Ų554.2 Ų54.22%0.02228%0.276CS..Hα-helixtrans-58.8-54.3174.4175.3-99.6000111.8V18 D21 M22 L174 Y175 A177 S412 L413 N414 K418 T419 F420V18-F416 HydrophobicContact CG1-CE2 4.22Å; V18-F416 HydrophobicContact CG1-CZ 4.25Å; D21-F416 HydrophobicContact CB-CE1 4.13Å; M22-F416 HydrophobicContact CE-CE2 4.42Å; M22-F416 HydrophobicContact CE-CZ 4.05Å; M22-F416 HydrophobicContact CG-CE1 4.17Å; M22-F416 HydrophobicContact CG-CZ 3.63Å; L174-F416 HydrophobicContact CD1-CD2 3.68Å; L174-F416 HydrophobicContact CD1-CE2 3.83Å; L174-F416 HydrophobicContact CD2-CE2 3.92Å; L174-F416 HydrophobicContact CD2-CZ 4.4Å; L174-F416 HydrophobicContact CG-CD2 4.08Å; L174-F416 HydrophobicContact CG-CE2 3.76Å; Y175-F416 VanDerWaalsContact O-CD2 3.25Å; Y175-F416 WeakPolarHBondContact O-CD2 3.42Å; A177-F416 HydrophobicContact CB-CB 3.75Å; A177-F416 HydrophobicContact CB-CG 4.17Å; S412-F416 PolarHBondContact O-N 3.08Å; L413-F416 PolarHBondContact O-N 3.5Å; N414-F416 VanDerWaalsContact C-N 3.35Å; F416-K418 PolarHBondContact O-N 2.93Å; F416-T419 PolarHBondContact O-N 3.41Å; F416-F420 WeakPolarHBondContact O-CB 3.43Å; F416-F420 PolarHBondContact O-N 3.19Å
417K96.5Very high94.6Very high47 Ų4751.9 Ų51.920%0.20427%0.268CS..Hα-helixtrans-55-49.7-179.9-74.5179.5-178.3-173.30111.8T25 E28 L413 N414 T419 F420 F421T25-K417 HydrophobicContact CG2-CB 4.22Å; T25-K417 HydrophobicContact CG2-CD 4.33Å; T25-K417 HydrophobicContact CG2-CG 3.67Å; T25-K417 WeakPolarHBondContact OG1-CG 3.17Å; E28-K417 IonicContact OE1-NZ 3.15Å; E28-K417 IonicContact OE2-NZ 3.17Å; E28-K417 PolarHBondContact OE2-NZ 3.34Å; L413-K417 WeakPolarHBondContact O-CB 3.26Å; L413-K417 WeakPolarHBondContact O-CG 3.21Å; L413-K417 PolarHBondContact O-N 3.15Å; N414-K417 PolarHBondContact O-N 2.73Å; K417-T419 PolarHBondContact O-N 2.69Å; K417-F420 PolarHBondContact O-N 2.6Å; K417-F421 WeakPolarHBondContact O-CD2 3.42Å; K417-F421 PolarHBondContact O-N 3.32Å
418K96.8Very high93.3Very high148 Ų14858.8 Ų58.864%0.64331%0.305SS*.Hα-helixtrans-59.2-48.9179.2-176.2179179.1179.30111.7N414 F416 F420 N422N414-K418 WeakPolarHBondContact O-CB 3.2Å; N414-K418 PolarHBondContact O-N 3.15Å; F416-K418 PolarHBondContact O-N 2.93Å; K418-F420 VanDerWaalsContact C-N 3.33Å; K418-F420 PolarHBondContact O-N 3.12Å; K418-N422 PolarHBondContact O-N 2.9Å; K418-N422 VanDerWaalsContact O-N 3.08Å; K418-N422 PolarHBondContact O-ND2 2.82Å; K418-N422 PolarHBondContact O-OD1 2.95Å
419T96.6Very high93.2Very high42 Ų4256.3 Ų56.326%0.25830%0.295SS..Hα-helixtrans-65.1-40179.7-52.40000111.5L174 V415 F416 K417 N422 H423L174-T419 HydrophobicContact CD1-CG2 3.81Å; V415-T419 WeakPolarHBondContact O-CB 3.24Å; V415-T419 PolarHBondContact O-N 3.17Å; V415-T419 PolarHBondContact O-OG1 2.96Å; F416-T419 PolarHBondContact O-N 3.41Å; K417-T419 PolarHBondContact O-N 2.69Å; T419-N422 WeakPolarHBondContact O-CB 3Å; T419-N422 PolarHBondContact O-N 3.47Å; T419-H423 PolarHBondContact O-CD2 2.98Å; T419-H423 PolarHBondContact O-N 3.26Å
420F96.8Very high93Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-64.1-46.2178.9179.5-134.7000112.2M22 T25 L26 M89 F109 L174 F416 K417 K418 N422 H423 L424M22-F420 HydrophobicContact CB-CE1 4.02Å; M22-F420 HydrophobicContact CB-CZ 3.87Å; M22-F420 HydrophobicContact CE-CD2 4.3Å; M22-F420 HydrophobicContact CE-CE2 4.03Å; M22-F420 HydrophobicContact CG-CE1 4.06Å; M22-F420 HydrophobicContact CG-CE2 4.11Å; M22-F420 HydrophobicContact CG-CZ 3.76Å; M22-F420 HydrophobicContact SD-CE2 3.96Å; M22-F420 HydrophobicContact SD-CZ 4.02Å; T25-F420 HydrophobicContact CG2-CD1 3.86Å; T25-F420 HydrophobicContact CG2-CE1 4.25Å; L26-F420 HydrophobicContact CD1-CE1 4.34Å; L26-F420 HydrophobicContact CD1-CZ 4.27Å; L26-F420 HydrophobicContact CD2-CE1 4.27Å; L26-F420 HydrophobicContact CG-CE1 4Å; L26-F420 HydrophobicContact CG-CZ 4.4Å; M89-F420 HydrophobicContact CE-CE2 3.53Å; M89-F420 HydrophobicContact CE-CZ 3.31Å; F109-F420 HydrophobicContact CE1-CE2 4.13Å; F109-F420 HydrophobicContact CE2-CD2 4.23Å; F109-F420 HydrophobicContact CE2-CE2 4.04Å; F109-F420 AromaticContact CZ-CD2 3.94Å; F109-F420 HydrophobicContact CZ-CD2 3.94Å; F109-F420 AromaticContact CZ-CE2 3.74Å; F109-F420 HydrophobicContact CZ-CE2 3.74Å; L174-F420 HydrophobicContact CD1-CB 4.12Å; L174-F420 HydrophobicContact CD2-CB 4.12Å; L174-F420 HydrophobicContact CD2-CD2 3.73Å; L174-F420 HydrophobicContact CD2-CG 4.28Å; F416-F420 WeakPolarHBondContact O-CB 3.43Å; F416-F420 PolarHBondContact O-N 3.19Å; K417-F420 PolarHBondContact O-N 2.6Å; K418-F420 VanDerWaalsContact C-N 3.33Å; K418-F420 PolarHBondContact O-N 3.12Å; F420-N422 PolarHBondContact O-N 3.21Å; F420-H423 WeakPolarHBondContact O-CB 3.38Å; F420-H423 PolarHBondContact O-N 3.46Å; F420-H423 VanDerWaalsContact O-N 3.09Å; F420-L424 HydrophobicContact CD1-CD1 4.38Å; F420-L424 HydrophobicContact CD2-CG 4.46Å; F420-L424 HydrophobicContact CE1-CD1 4.11Å; F420-L424 HydrophobicContact CE2-CD1 4.3Å; F420-L424 HydrophobicContact CE2-CD2 4.34Å; F420-L424 HydrophobicContact CE2-CG 4.27Å; F420-L424 HydrophobicContact CZ-CD1 4.08Å; F420-L424 WeakPolarHBondContact O-CG 3.26Å; F420-L424 PolarHBondContact O-N 3.23Å
421F96.1Very high92.9Very high54 Ų5457 Ų5724%0.23729%0.29CS..Hα-helixtrans-63.6-40.3174.6-78.2-62.3000112.6T25 L26 S29 K417 H423 L424 E425T25-F421 HydrophobicContact CG2-CD2 4.28Å; T25-F421 HydrophobicContact CG2-CE2 3.38Å; T25-F421 HydrophobicContact CG2-CZ 3.6Å; L26-F421 HydrophobicContact CD2-CE1 4.29Å; S29-F421 WeakPolarHBondContact OG-CZ 3.36Å; K417-F421 WeakPolarHBondContact O-CD2 3.42Å; K417-F421 PolarHBondContact O-N 3.32Å; F421-H423 PolarHBondContact O-N 3.18Å; F421-L424 HydrophobicContact CD1-CD1 3.89Å; F421-L424 HydrophobicContact CE1-CD1 4.1Å; F421-L424 WeakPolarHBondContact O-CB 3.48Å; F421-L424 PolarHBondContact O-N 3Å; F421-E425 WeakPolarHBondContact O-CG 3.4Å; F421-E425 PolarHBondContact O-N 2.77Å
422N94.8Very high92.7Very high74 Ų7460.2 Ų60.240%0.39631%0.307SS..Hα-helixtrans-57.6-34.7172.8-67.6-10000112K418 T419 F420 L426K418-N422 PolarHBondContact O-N 2.9Å; K418-N422 VanDerWaalsContact O-N 3.08Å; K418-N422 PolarHBondContact O-ND2 2.82Å; K418-N422 PolarHBondContact O-OD1 2.95Å; T419-N422 WeakPolarHBondContact O-CB 3Å; T419-N422 PolarHBondContact O-N 3.47Å; F420-N422 PolarHBondContact O-N 3.21Å; N422-L426 WeakPolarHBondContact O-CG 3.46Å
423H94.3Very high92.6Very high15 Ų1562.5 Ų62.57%0.06932%0.315CS..Hα-helixtrans-73-39.2175.2-65.2-174.3000111.5F109 I147 S149 K172 L173 T419 F420 F421 E425 L426F109-H423 HydrophobicContact CE2-CB 3.86Å; I147-H423 WeakPolarHBondContact CD1-O 3.42Å; S149-H423 PolarHBondContact OG-ND1 2.72Å; K172-H423 WeakPolarHBondContact CB-CE1 3.33Å; K172-H423 WeakPolarHBondContact CB-NE2 3.16Å; L173-H423 PolarHBondContact O-CE1 3.27Å; L173-H423 VanDerWaalsContact O-CE1 3.22Å; T419-H423 PolarHBondContact O-CD2 2.98Å; T419-H423 PolarHBondContact O-N 3.26Å; F420-H423 WeakPolarHBondContact O-CB 3.38Å; F420-H423 PolarHBondContact O-N 3.46Å; F420-H423 VanDerWaalsContact O-N 3.09Å; F421-H423 PolarHBondContact O-N 3.18Å; H423-E425 VanDerWaalsContact C-N 3.32Å; H423-E425 PolarHBondContact O-N 2.76Å; H423-L426 WeakPolarHBondContact O-CB 3.25Å; H423-L426 PolarHBondContact O-N 3.33Å
424L93.4Very high92.5Very high11 Ų1164.6 Ų64.66%0.05833%0.326CS..Hα-helixtrans-62.4-38.5175.6-67.6173.4000112L26 L87 M89 F109 F420 F421 L426 I427L26-L424 HydrophobicContact CD2-CD1 3.73Å; L87-L424 HydrophobicContact CD2-CD2 3.72Å; M89-L424 HydrophobicContact CE-CD2 4.14Å; M89-L424 HydrophobicContact SD-CD2 4.44Å; F109-L424 HydrophobicContact CD2-CD2 3.92Å; F109-L424 HydrophobicContact CE2-CD2 4.34Å; F420-L424 HydrophobicContact CD1-CD1 4.38Å; F420-L424 HydrophobicContact CD2-CG 4.46Å; F420-L424 HydrophobicContact CE1-CD1 4.11Å; F420-L424 HydrophobicContact CE2-CD1 4.3Å; F420-L424 HydrophobicContact CE2-CD2 4.34Å; F420-L424 HydrophobicContact CE2-CG 4.27Å; F420-L424 HydrophobicContact CZ-CD1 4.08Å; F420-L424 WeakPolarHBondContact O-CG 3.26Å; F420-L424 PolarHBondContact O-N 3.23Å; F421-L424 HydrophobicContact CD1-CD1 3.89Å; F421-L424 HydrophobicContact CE1-CD1 4.1Å; F421-L424 WeakPolarHBondContact O-CB 3.48Å; F421-L424 PolarHBondContact O-N 3Å; L424-L426 PolarHBondContact O-N 2.81Å; L424-I427 HydrophobicContact CD2-CD1 4.39Å; L424-I427 VanDerWaalsContact O-CB 3.24Å; L424-I427 WeakPolarHBondContact O-CB 3.49Å; L424-I427 PolarHBondContact O-N 2.61Å
425E92Very high92.4Very high130 Ų13060.3 Ų60.361%0.60730%0.301SS*.Hα-helixtrans-63.1-25.2175.2-72174.6-177.200113.4F421 H423 I427F421-E425 WeakPolarHBondContact O-CG 3.4Å; F421-E425 PolarHBondContact O-N 2.77Å; H423-E425 VanDerWaalsContact C-N 3.32Å; H423-E425 PolarHBondContact O-N 2.76Å; E425-I427 VanDerWaalsContact C-N 3.26Å
426L88.1Confident92.1Very high100 Ų10061.1 Ų61.152%0.52430%0.301SS..THydrogen-bonded Turntrans-77.4-14.4173.9-65.4172.5000112.6I147 K172 N422 H423 L424I147-L426 HydrophobicContact CD1-CB 3.53Å; K172-L426 HydrophobicContact CD-CD1 4.47Å; K172-L426 HydrophobicContact CG-CD1 4.4Å; N422-L426 WeakPolarHBondContact O-CG 3.46Å; H423-L426 WeakPolarHBondContact O-CB 3.25Å; H423-L426 PolarHBondContact O-N 3.33Å; L424-L426 PolarHBondContact O-N 2.81Å
427I85.2Confident91.7Very high13 Ų1365.8 Ų65.87%0.06732%0.324CS..THydrogen-bonded Turntrans-75.2-43.1175.4-66.5-164.8000109.4L87 K107 F109 I147 L424 E425L87-I427 HydrophobicContact CD1-CD1 3.84Å; L87-I427 HydrophobicContact CD1-CG2 4.16Å; K107-I427 HydrophobicContact CB-CG2 3.56Å; K107-I427 HydrophobicContact CD-CG2 3.28Å; K107-I427 WeakPolarHBondContact CD-O 3.45Å; K107-I427 VanDerWaalsContact CE-O 3.29Å; K107-I427 WeakPolarHBondContact CE-O 3.29Å; K107-I427 HydrophobicContact CG-CG2 4.02Å; K107-I427 PolarHBondContact NZ-O 2.78Å; F109-I427 HydrophobicContact CB-CD1 3.66Å; F109-I427 HydrophobicContact CD2-CD1 3.7Å; F109-I427 HydrophobicContact CG-CD1 4.17Å; I147-I427 HydrophobicContact CB-CD1 4.24Å; I147-I427 HydrophobicContact CB-CG1 4.13Å; I147-I427 HydrophobicContact CD1-CB 4.33Å; I147-I427 HydrophobicContact CD1-CD1 4.2Å; I147-I427 HydrophobicContact CD1-CG1 3.27Å; I147-I427 HydrophobicContact CG1-CD1 4.34Å; I147-I427 HydrophobicContact CG1-CG1 3.69Å; L424-I427 HydrophobicContact CD2-CD1 4.39Å; L424-I427 VanDerWaalsContact O-CB 3.24Å; L424-I427 WeakPolarHBondContact O-CB 3.49Å; L424-I427 PolarHBondContact O-N 2.61Å; E425-I427 VanDerWaalsContact C-N 3.26Å
428D69.2Low91.2Very high155 Ų15567.5 Ų67.583%0.82934%0.335SS*.  trans-62.50-176.3-72.2-29000112.4K107K107-D428 PolarHBondContact NZ-O 3.43Å

Retrieved 428 of 428 residues in 357 ms (Link to these results)

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