A0A087YHZ5_POEFO 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 A0A087YHZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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
1M77.1Confident91.6Very high195 Ų19533.5 Ų33.596%0.96117%0.166SC*.  0137.20-70170-170.800107.2
2A90.4Very high91Very high13 Ų1331.5 Ų31.511%0.10716%0.161CC..  trans-76.1143.6-176.300000110.9V4 C32 S33 I400A2-V4 HydrophobicContact CB-CG2 4.32Å; A2-C32 WeakPolarHBondContact O-CA 3.48Å; A2-C32 WeakPolarHBondContact O-CB 3.29Å; A2-S33 PolarHBondContact O-N 2.94Å; A2-S33 VanDerWaalsContact O-N 3.12Å; A2-I400 HydrophobicContact CB-CG2 3.86Å
3R94.3Very high90Very high75 Ų7536.5 Ų36.528%0.28319%0.187SC..EExtended strand (participates in β ladder)trans-98.4118.9168.9-62.2168.8-66-178.65.3108.4S33 E95 D97 V98R3-S33 CarbonylContact C-O 3.49Å; R3-S33 WeakPolarHBondContact CA-O 3.2Å; R3-E95 IonicContact CZ-OE2 3.58Å; R3-E95 IonicContact NH1-OE2 3.46Å; R3-E95 PolarHBondContact NH1-OE2 3.46Å; R3-E95 IonicContact NH2-OE2 3.88Å; R3-D97 WeakPolarHBondContact CB-OD2 3.41Å; R3-D97 IonicContact CZ-OD1 2.78Å; R3-D97 IonicContact CZ-OD2 3.87Å; R3-D97 PolarHBondContact N-OD2 2.89Å; R3-D97 IonicContact NE-OD1 2.77Å; R3-D97 PolarHBondContact NE-OD1 3.13Å; R3-D97 IonicContact NE-OD2 2.69Å; R3-D97 PolarHBondContact NE-OD2 3.33Å; R3-D97 VanDerWaalsContact NE-OD2 3.16Å; R3-D97 IonicContact NH2-OD1 3.5Å; R3-D97 PolarHBondContact NH2-OD1 2.97Å; R3-D97 IonicContact NH2-OD2 3.66Å; R3-D97 PolarHBondContact O-N 3.27Å; R3-V98 PolarHBondContact O-N 2.86Å
4V96.3Very high89.3Confident2 Ų235.5 Ų35.51%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-118.1125.1-173.7-172.60000109.6A2 F6 L27 C32 S33 V34 Q35 V98 F100 I400A2-V4 HydrophobicContact CB-CG2 4.32Å; V4-F6 HydrophobicContact CB-CE2 4.49Å; V4-F6 HydrophobicContact CG1-CD2 4.25Å; V4-F6 HydrophobicContact CG1-CE2 3.84Å; V4-F6 HydrophobicContact CG1-CZ 4.43Å; V4-L27 HydrophobicContact CB-CD1 4.27Å; V4-L27 HydrophobicContact CG1-CD1 3.95Å; V4-L27 HydrophobicContact CG2-CD1 4.15Å; V4-C32 HydrophobicContact CG2-CB 4.49Å; V4-S33 PolarHBondContact N-O 2.97Å; V4-V34 WeakPolarHBondContact O-CA 3.45Å; V4-Q35 PolarHBondContact O-N 2.85Å; V4-Q35 VanDerWaalsContact O-N 3.16Å; V4-V98 WeakPolarHBondContact CA-O 3.22Å; V4-F100 HydrophobicContact CG1-CB 4.36Å; V4-I400 HydrophobicContact CG1-CD1 4.33Å; V4-I400 HydrophobicContact CG2-CD1 4.4Å; V4-I400 HydrophobicContact CG2-CG2 3.86Å
5V96.1Very high88.7Confident4 Ų437.5 Ų37.52%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-103.5125.9171.8167.60000108.8Q35 W37 L88 Y96 V98 I99 F100V5-Q35 WeakPolarHBondContact CA-O 3.22Å; V5-W37 HydrophobicContact CG1-CB 4.42Å; V5-W37 HydrophobicContact CG1-CG 4.09Å; V5-L88 HydrophobicContact CG1-CD1 4.34Å; V5-L88 HydrophobicContact CG1-CD2 3.78Å; V5-Y96 HydrophobicContact CB-CG 4.38Å; V5-Y96 HydrophobicContact CG2-CD1 3.91Å; V5-Y96 HydrophobicContact CG2-CG 3.86Å; V5-V98 PolarHBondContact N-O 3.07Å; V5-I99 CarbonylContact O-C 3.59Å; V5-I99 VanDerWaalsContact O-CA 3.32Å; V5-I99 WeakPolarHBondContact O-CA 3.43Å; V5-F100 PolarHBondContact O-N 2.68Å
6F96.8Very high88.4Confident0 Ų035.9 Ų35.90%021%0.214CC..EExtended strand (participates in β ladder)trans-90.2137.4170-74-99.6000109.4V4 V20 A23 A24 L27 V34 Q35 I36 W37 F100V4-F6 HydrophobicContact CB-CE2 4.49Å; V4-F6 HydrophobicContact CG1-CD2 4.25Å; V4-F6 HydrophobicContact CG1-CE2 3.84Å; V4-F6 HydrophobicContact CG1-CZ 4.43Å; F6-V20 HydrophobicContact CB-CG1 4.3Å; F6-V20 HydrophobicContact CD1-CG1 3.98Å; F6-V20 HydrophobicContact CG-CG1 4.46Å; F6-A23 HydrophobicContact CE1-CB 3.48Å; F6-A23 VanDerWaalsContact CE1-CB 3.48Å; F6-A23 HydrophobicContact CZ-CB 3.84Å; F6-A24 HydrophobicContact CD2-CB 4.01Å; F6-A24 HydrophobicContact CE1-CB 4.5Å; F6-A24 HydrophobicContact CE2-CB 3.86Å; F6-A24 HydrophobicContact CG-CB 4.39Å; F6-A24 HydrophobicContact CZ-CB 4.11Å; F6-L27 HydrophobicContact CE2-CD1 3.98Å; F6-L27 HydrophobicContact CZ-CD1 3.71Å; F6-V34 HydrophobicContact CD2-CG1 3.58Å; F6-V34 HydrophobicContact CE2-CG1 3.53Å; F6-Q35 PolarHBondContact N-O 3.43Å; F6-I36 HydrophobicContact CB-CB 4.39Å; F6-I36 HydrophobicContact CB-CG1 4.14Å; F6-I36 HydrophobicContact CB-CG2 4.3Å; F6-W37 WeakPolarHBondContact O-CB 3.37Å; F6-W37 PolarHBondContact O-N 3.49Å; F6-F100 CarbonylContact C-O 3.54Å; F6-F100 VanDerWaalsContact CA-O 3.29Å; F6-F100 WeakPolarHBondContact CA-O 3.47Å; F6-F100 HydrophobicContact CD1-CB 3.63Å; F6-F100 AromaticContact CD1-CD1 3.38Å; F6-F100 HydrophobicContact CD1-CD1 3.38Å; F6-F100 HydrophobicContact CD1-CD2 4.36Å; F6-F100 HydrophobicContact CD1-CE1 4.09Å; F6-F100 AromaticContact CD1-CG 3.54Å; F6-F100 HydrophobicContact CD1-CG 3.54Å; F6-F100 HydrophobicContact CE1-CB 3.67Å; F6-F100 AromaticContact CE1-CD1 3.5Å; F6-F100 HydrophobicContact CE1-CD1 3.5Å; F6-F100 AromaticContact CE1-CD2 3.71Å; F6-F100 HydrophobicContact CE1-CD2 3.71Å; F6-F100 AromaticContact CE1-CE1 4Å; F6-F100 HydrophobicContact CE1-CE1 4Å; F6-F100 HydrophobicContact CE1-CE2 4.18Å; F6-F100 AromaticContact CE1-CG 3.34Å; F6-F100 HydrophobicContact CE1-CG 3.34Å; F6-F100 HydrophobicContact CE1-CZ 4.3Å; F6-F100 HydrophobicContact CG-CB 4.11Å; F6-F100 HydrophobicContact CG-CD1 4.48Å; F6-F100 HydrophobicContact CG-CG 4.48Å; F6-F100 HydrophobicContact CZ-CB 4.18Å; F6-F100 HydrophobicContact CZ-CD2 4.3Å; F6-F100 HydrophobicContact CZ-CG 4.16Å
7L95.6Very high88.4Confident0 Ų035.7 Ų35.70%021%0.211CC..EExtended strand (participates in β ladder)trans-128.2111.8178.8-172.370.1000109.6W37 M81 V84 A85 I99 F100 D102 C107 L111L7-W37 WeakPolarHBondContact CA-O 3.33Å; L7-W37 HydrophobicContact CD1-CB 3.85Å; L7-M81 HydrophobicContact CD2-CE 3.99Å; L7-M81 HydrophobicContact CG-CE 3.71Å; L7-V84 HydrophobicContact CD1-CB 4.04Å; L7-V84 HydrophobicContact CD1-CG1 3.29Å; L7-A85 HydrophobicContact CD2-CB 4.29Å; L7-I99 HydrophobicContact CB-CG2 4.34Å; L7-F100 PolarHBondContact N-O 2.85Å; L7-D102 PolarHBondContact O-N 2.89Å; L7-C107 HydrophobicContact CD2-CB 4.11Å; L7-C107 VanDerWaalsContact CD2-SG 3.56Å; L7-L111 HydrophobicContact CD2-CD1 4.07Å; L7-L111 HydrophobicContact CD2-CD2 4.43Å
8H94.1Very high88.5Confident0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-132.7143.6-174.8-172.274.7000110.6D10 V20 W37 T38 D102H8-D10 VanDerWaalsContact CD2-C 3.42Å; H8-D10 PolarHBondContact CD2-N 3.38Å; H8-D10 PolarHBondContact CD2-O 3.44Å; H8-D10 PolarHBondContact NE2-O 2.86Å; H8-V20 HydrophobicContact CB-CG1 4.33Å; H8-V20 HydrophobicContact CB-CG2 4.48Å; H8-W37 PolarHBondContact N-O 3.44Å; H8-T38 WeakPolarHBondContact O-CA 3.39Å; H8-T38 WeakPolarHBondContact O-CB 3.48Å; H8-T38 PolarHBondContact O-OG1 3.33Å; H8-D102 WeakPolarHBondContact CB-OD1 3.41Å; H8-D102 IonicContact CE1-OD1 3.46Å; H8-D102 IonicContact CE1-OD2 2.65Å; H8-D102 PolarHBondContact CE1-OD2 3Å; H8-D102 IonicContact CG-OD1 2.83Å; H8-D102 IonicContact ND1-OD1 3.89Å; H8-D102 PolarHBondContact ND1-OD1 3.4Å; H8-D102 IonicContact ND1-OD2 2.84Å; H8-D102 PolarHBondContact ND1-OD2 3.35Å
9P90.6Very high88.5Confident13 Ų1335.5 Ų35.58%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-67.8-42.5-176.524-35.2000115.4T38 A39 H40 M81 Q103 V104P9-T38 PolarHBondContact O-OG1 2.9Å; P9-A39 VanDerWaalsContact O-CB 3.28Å; P9-A39 WeakPolarHBondContact O-CB 3.24Å; P9-A39 PolarHBondContact O-N 2.94Å; P9-H40 PolarHBondContact O-N 2.85Å; P9-M81 WeakPolarHBondContact CA-SD 3.45Å; P9-M81 HydrophobicContact CB-CG 4.02Å; P9-M81 HydrophobicContact CB-SD 3.83Å; P9-Q103 HydrophobicContact CG-CB 4.03Å; P9-Q103 HydrophobicContact CG-CG 4.5Å; P9-V104 HydrophobicContact CB-CG2 4.35Å; P9-V104 HydrophobicContact CG-CG2 4.18Å
10D89.4Confident88.7Confident65 Ų6533.7 Ų33.735%0.34819%0.192SC..EExtended strand (participates in β ladder)trans-149.1112.1-172.8-171.8-18.4000110.8H8 G12 E17 H40H8-D10 VanDerWaalsContact CD2-C 3.42Å; H8-D10 PolarHBondContact CD2-N 3.38Å; H8-D10 PolarHBondContact CD2-O 3.44Å; H8-D10 PolarHBondContact NE2-O 2.86Å; D10-G12 VanDerWaalsContact C-N 3.34Å; D10-G12 PolarHBondContact O-N 3.19Å; D10-G12 VanDerWaalsContact O-N 3.15Å; D10-E17 WeakPolarHBondContact O-CG 3.48Å; D10-H40 HydrophobicContact CB-CB 4.4Å; D10-H40 IonicContact OD1-CD2 3.7Å; D10-H40 PolarHBondContact OD1-CD2 3.31Å; D10-H40 VanDerWaalsContact OD1-CD2 3.3Å; D10-H40 IonicContact OD1-CG 2.7Å; D10-H40 IonicContact OD2-CD2 3.58Å
11L87.3Confident88.9Confident1 Ų132.1 Ų32.11%0.00518%0.183CC..  trans-93.965.8-173.8-162.671.6000111.3V21 I36 T38 H40 Y41 T50 V57L11-V21 HydrophobicContact CD1-CG2 4.15Å; L11-I36 HydrophobicContact CD1-CG2 4.47Å; L11-I36 HydrophobicContact CD2-CG2 4.01Å; L11-T38 HydrophobicContact CB-CG2 4.05Å; L11-T38 PolarHBondContact N-OG1 3.16Å; L11-H40 PolarHBondContact N-O 2.78Å; L11-Y41 HydrophobicContact CB-CD2 4.08Å; L11-Y41 HydrophobicContact CD2-CD2 3.97Å; L11-Y41 HydrophobicContact CD2-CE2 4.04Å; L11-Y41 HydrophobicContact CG-CD2 4.35Å; L11-T50 HydrophobicContact CD2-CG2 3.83Å; L11-T50 HydrophobicContact CG-CG2 4.43Å; L11-V57 HydrophobicContact CD2-CG1 3.8Å; L11-V57 HydrophobicContact CD2-CG2 3.97Å
12G84.5Confident89.6Confident10 Ų1023.1 Ų23.110%0.10314%0.139CC..SBendtrans-95.1-144.2174.800000113.6D10D10-G12 VanDerWaalsContact C-N 3.34Å; D10-G12 PolarHBondContact O-N 3.19Å; D10-G12 VanDerWaalsContact O-N 3.15Å
13I78.1Confident89.8Confident97 Ų9722.5 Ų22.550%0.49713%0.134SC..SBendtrans-110.4110.6174.9-56-176.3000109.7H45 F47I13-H45 VanDerWaalsContact CD1-CE1 3.47Å; I13-H45 WeakPolarHBondContact CD1-CE1 3.32Å; I13-F47 HydrophobicContact CG2-CE1 4.42Å; I13-F47 HydrophobicContact CG2-CZ 4.21Å
14G80.2Confident89.8Confident22 Ų2218.9 Ų18.923%0.22712%0.12CC..SBendtrans-170.4178.2176.100000112.2E17 R18G14-E17 WeakPolarHBondContact CA-OE2 3.37Å; G14-E17 PolarHBondContact N-OE2 3.24Å; G14-R18 WeakPolarHBondContact O-CB 3.44Å; G14-R18 PolarHBondContact O-N 2.95Å
15G80Confident89.6Confident65 Ų6520.9 Ų20.967%0.6713%0.132SC*.Hα-helixtrans-74.4-30.1-174.400000113.7E17 L19G15-E17 PolarHBondContact N-OE2 3.14Å; G15-L19 PolarHBondContact O-N 3.49Å
16A83.4Confident89.5Confident13 Ų1320.8 Ų20.811%0.10713%0.132CC..Hα-helixtrans-77.4-44.5177.200000110.5R18 L19 V20 Q103A16-R18 VanDerWaalsContact C-N 3.3Å; A16-R18 PolarHBondContact O-N 3.48Å; A16-L19 WeakPolarHBondContact O-CB 3.26Å; A16-L19 PolarHBondContact O-N 2.81Å; A16-L19 VanDerWaalsContact O-N 3.09Å; A16-V20 PolarHBondContact O-N 3.08Å; A16-V20 VanDerWaalsContact O-N 3.07Å; A16-Q103 HydrophobicContact CB-CG 4.4Å
17E89.2Confident89.4Confident32 Ų3220.8 Ų20.815%0.1513%0.132CC..Hα-helixtrans-56.1-45.1173.6-59.277.9178.400110.4D10 G14 G15 L19 V20 V21 F47D10-E17 WeakPolarHBondContact O-CG 3.48Å; G14-E17 WeakPolarHBondContact CA-OE2 3.37Å; G14-E17 PolarHBondContact N-OE2 3.24Å; G15-E17 PolarHBondContact N-OE2 3.14Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.12Å; E17-V20 PolarHBondContact O-N 2.93Å; E17-V21 WeakPolarHBondContact O-CG2 3.38Å; E17-V21 PolarHBondContact O-N 3.42Å; E17-F47 HydrophobicContact CB-CE2 3.83Å
18R89.1Confident89.3Confident57 Ų5723.5 Ų23.522%0.21514%0.144CC..Hα-helixtrans-57.5-44.1176.1-179.166.3-157.4-178.312.1111.8G14 A16 V21 D22 F47 E49 N191G14-R18 WeakPolarHBondContact O-CB 3.44Å; G14-R18 PolarHBondContact O-N 2.95Å; A16-R18 VanDerWaalsContact C-N 3.3Å; A16-R18 PolarHBondContact O-N 3.48Å; R18-V21 PolarHBondContact O-N 2.92Å; R18-D22 IonicContact CZ-OD1 3.81Å; R18-D22 IonicContact CZ-OD2 3.82Å; R18-D22 IonicContact NE-OD1 3.63Å; R18-D22 PolarHBondContact NE-OD1 3.12Å; R18-D22 IonicContact NE-OD2 3.15Å; R18-D22 PolarHBondContact NE-OD2 3.06Å; R18-D22 IonicContact NH2-OD1 3.85Å; R18-D22 PolarHBondContact NH2-OD1 2.81Å; R18-D22 IonicContact NH2-OD2 3.35Å; R18-D22 WeakPolarHBondContact O-CB 3.38Å; R18-D22 PolarHBondContact O-N 3Å; R18-F47 HydrophobicContact CB-CE1 4.37Å; R18-F47 HydrophobicContact CB-CE2 4.13Å; R18-F47 HydrophobicContact CB-CZ 3.73Å; R18-F47 HydrophobicContact CG-CZ 4.43Å; R18-E49 IonicContact CZ-OE1 2.68Å; R18-E49 VanDerWaalsContact CZ-OE1 3.28Å; R18-E49 IonicContact NH1-OE1 3.16Å; R18-E49 PolarHBondContact NH1-OE1 3.09Å; R18-E49 IonicContact NH1-OE2 3.99Å; R18-E49 IonicContact NH2-OE1 3.7Å; R18-E49 PolarHBondContact NH2-OE1 2.94Å; R18-N191 PolarHBondContact NH2-ND2 3.2Å
19L89.5Confident89.2Confident10 Ų1027.4 Ų27.45%0.05217%0.171CC..Hα-helixtrans-64.7-41.9179.8-174.8138.3000112G15 A16 E17 V21 D22 A23 F100 Y123 P188 F392G15-L19 PolarHBondContact O-N 3.49Å; A16-L19 WeakPolarHBondContact O-CB 3.26Å; A16-L19 PolarHBondContact O-N 2.81Å; A16-L19 VanDerWaalsContact O-N 3.09Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.12Å; L19-V21 VanDerWaalsContact C-N 3.32Å; L19-V21 PolarHBondContact O-N 2.82Å; L19-D22 PolarHBondContact O-N 2.73Å; L19-A23 VanDerWaalsContact O-CB 3.22Å; L19-A23 WeakPolarHBondContact O-CB 3.45Å; L19-A23 PolarHBondContact O-N 3.24Å; L19-F100 HydrophobicContact CD2-CZ 4.23Å; L19-Y123 HydrophobicContact CD1-CD1 4.47Å; L19-Y123 HydrophobicContact CD1-CE1 3.55Å; L19-Y123 HydrophobicContact CD1-CE2 4.22Å; L19-Y123 WeakPolarHBondContact CD1-OH 3.22Å; L19-Y123 HydrophobicContact CD2-CD1 3.72Å; L19-Y123 HydrophobicContact CD2-CD2 4.18Å; L19-Y123 HydrophobicContact CD2-CE1 3.63Å; L19-Y123 HydrophobicContact CD2-CE2 4.08Å; L19-Y123 HydrophobicContact CD2-CG 4.02Å; L19-Y123 HydrophobicContact CG-CE1 4.24Å; L19-P188 HydrophobicContact CD1-CB 4.37Å; L19-P188 HydrophobicContact CD1-CG 4.35Å; L19-F392 HydrophobicContact CG-CZ 4.47Å
20V92.8Very high89.4Confident0 Ų029.5 Ų29.50%018%0.18CC..Hα-helixtrans-61.4-44.2176.6171.50000110.5F6 H8 A16 E17 A23 A24 D102F6-V20 HydrophobicContact CB-CG1 4.3Å; F6-V20 HydrophobicContact CD1-CG1 3.98Å; F6-V20 HydrophobicContact CG-CG1 4.46Å; H8-V20 HydrophobicContact CB-CG1 4.33Å; H8-V20 HydrophobicContact CB-CG2 4.48Å; A16-V20 PolarHBondContact O-N 3.08Å; A16-V20 VanDerWaalsContact O-N 3.07Å; E17-V20 PolarHBondContact O-N 2.93Å; V20-A23 PolarHBondContact O-N 2.87Å; V20-A24 WeakPolarHBondContact O-CB 3.29Å; V20-A24 PolarHBondContact O-N 3.07Å; V20-D102 HydrophobicContact CG2-CB 4.38Å; V20-D102 WeakPolarHBondContact CG2-OD1 3.28Å; V20-D102 VanDerWaalsContact CG2-OD2 3.29Å; V20-D102 WeakPolarHBondContact CG2-OD2 3.32Å
21V92.4Very high89.5Confident0 Ų028.1 Ų28.10%018%0.181CC..Hα-helixtrans-64-46.4176.81750000111L11 E17 R18 L19 A23 A24 V25 F47 E49 T50L11-V21 HydrophobicContact CD1-CG2 4.15Å; E17-V21 WeakPolarHBondContact O-CG2 3.38Å; E17-V21 PolarHBondContact O-N 3.42Å; R18-V21 PolarHBondContact O-N 2.92Å; L19-V21 VanDerWaalsContact C-N 3.32Å; L19-V21 PolarHBondContact O-N 2.82Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.43Å; V21-A24 PolarHBondContact O-N 2.91Å; V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 WeakPolarHBondContact O-CG2 3.46Å; V21-V25 PolarHBondContact O-N 3.14Å; V21-F47 HydrophobicContact CG1-CB 4.39Å; V21-F47 HydrophobicContact CG2-CB 4.45Å; V21-F47 HydrophobicContact CG2-CD2 3.95Å; V21-E49 HydrophobicContact CG1-CB 3.71Å; V21-E49 HydrophobicContact CG1-CG 4.32Å; V21-T50 HydrophobicContact CG1-CG2 4.2Å; V21-T50 HydrophobicContact CG2-CG2 3.46Å; V21-T50 VanDerWaalsContact CG2-CG2 3.46Å
22D91.6Very high89.9Confident6 Ų628.5 Ų28.53%0.03218%0.183CC..Hα-helixtrans-61.1-40.9177.1-76.1-23.8000111.5R18 L19 A26 S189 L389 F392R18-D22 IonicContact CZ-OD1 3.81Å; R18-D22 IonicContact CZ-OD2 3.82Å; R18-D22 IonicContact NE-OD1 3.63Å; R18-D22 PolarHBondContact NE-OD1 3.12Å; R18-D22 IonicContact NE-OD2 3.15Å; R18-D22 PolarHBondContact NE-OD2 3.06Å; R18-D22 IonicContact NH2-OD1 3.85Å; R18-D22 PolarHBondContact NH2-OD1 2.81Å; R18-D22 IonicContact NH2-OD2 3.35Å; R18-D22 WeakPolarHBondContact O-CB 3.38Å; R18-D22 PolarHBondContact O-N 3Å; L19-D22 PolarHBondContact O-N 2.73Å; D22-A26 WeakPolarHBondContact O-CB 2.93Å; D22-A26 PolarHBondContact O-N 2.88Å; D22-S189 PolarHBondContact OD2-OG 2.9Å; D22-L389 HydrophobicContact CB-CD1 3.99Å; D22-F392 HydrophobicContact CB-CE1 4.45Å
23A94.1Very high90.4Very high0 Ų031.7 Ų31.70%020%0.204CC..Hα-helixtrans-63.2-42.8175.100000112.5F6 L19 V20 V21 A26 L27 F100 F392 L396F6-A23 HydrophobicContact CE1-CB 3.48Å; F6-A23 VanDerWaalsContact CE1-CB 3.48Å; F6-A23 HydrophobicContact CZ-CB 3.84Å; L19-A23 VanDerWaalsContact O-CB 3.22Å; L19-A23 WeakPolarHBondContact O-CB 3.45Å; L19-A23 PolarHBondContact O-N 3.24Å; V20-A23 PolarHBondContact O-N 2.87Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.43Å; A23-A26 PolarHBondContact O-N 3.23Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 3.42Å; A23-F100 HydrophobicContact CB-CE2 4.45Å; A23-F100 HydrophobicContact CB-CZ 4.37Å; A23-F392 HydrophobicContact CB-CE1 3.96Å; A23-F392 HydrophobicContact CB-CZ 3.92Å; A23-L396 HydrophobicContact CB-CD2 3.62Å
24A95Very high91.3Very high0 Ų027.5 Ų27.50%018%0.183CC..Hα-helixtrans-66.6-45.817900000111.6F6 V20 V21 L27 K28 V34 I36 L55F6-A24 HydrophobicContact CD2-CB 4.01Å; F6-A24 HydrophobicContact CE1-CB 4.5Å; F6-A24 HydrophobicContact CE2-CB 3.86Å; F6-A24 HydrophobicContact CG-CB 4.39Å; F6-A24 HydrophobicContact CZ-CB 4.11Å; V20-A24 WeakPolarHBondContact O-CB 3.29Å; V20-A24 PolarHBondContact O-N 3.07Å; V21-A24 PolarHBondContact O-N 2.91Å; A24-L27 PolarHBondContact O-N 3.5Å; A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 3.24Å; A24-V34 HydrophobicContact CB-CG1 3.79Å; A24-I36 HydrophobicContact CB-CD1 3.82Å; A24-I36 HydrophobicContact CB-CG1 4.06Å; A24-L55 HydrophobicContact CB-CD1 3.87Å; A24-L55 HydrophobicContact CB-CD2 4.31Å
25V93.1Very high92Very high44 Ų4428.4 Ų28.427%0.26718%0.181SC..Hα-helixtrans-62.4-43.3174.2172.40000111V21 L27 K28 S29 E49 L55V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 WeakPolarHBondContact O-CG2 3.46Å; V21-V25 PolarHBondContact O-N 3.14Å; V25-L27 PolarHBondContact O-N 3.1Å; V25-K28 PolarHBondContact O-N 3.41Å; V25-S29 PolarHBondContact O-N 3.48Å; V25-E49 HydrophobicContact CG2-CB 4.2Å; V25-E49 HydrophobicContact CG2-CG 4.43Å; V25-L55 HydrophobicContact CG2-CD2 3.99Å
26A92.9Very high92.8Very high1 Ų125.3 Ų25.31%0.00815%0.149CC..Hα-helixtrans-64.4-36-179.600000113.5D22 A23 S29 Q30 L389 F392 S393D22-A26 WeakPolarHBondContact O-CB 2.93Å; D22-A26 PolarHBondContact O-N 2.88Å; A23-A26 PolarHBondContact O-N 3.23Å; A26-S29 PolarHBondContact O-OG 2.71Å; A26-Q30 WeakPolarHBondContact O-CG 3.43Å; A26-L389 HydrophobicContact CB-CD1 4.31Å; A26-F392 HydrophobicContact CB-CD1 4.04Å; A26-F392 HydrophobicContact CB-CE1 4.23Å; A26-S393 PolarHBondContact O-OG 2.91Å
27L94.8Very high93.4Very high0 Ų025 Ų250%015%0.146CC..Hα-helixtrans-77.6-36.4175-73.8-178.7000112.1V4 F6 A23 A24 V25 S29 Q30 G31 C32 V34 L396 Y397 I400V4-L27 HydrophobicContact CB-CD1 4.27Å; V4-L27 HydrophobicContact CG1-CD1 3.95Å; V4-L27 HydrophobicContact CG2-CD1 4.15Å; F6-L27 HydrophobicContact CE2-CD1 3.98Å; F6-L27 HydrophobicContact CZ-CD1 3.71Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 3.42Å; A24-L27 PolarHBondContact O-N 3.5Å; V25-L27 PolarHBondContact O-N 3.1Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.41Å; L27-Q30 WeakPolarHBondContact O-CB 3.47Å; L27-Q30 PolarHBondContact O-N 3.28Å; L27-Q30 VanDerWaalsContact O-N 3.14Å; L27-G31 PolarHBondContact O-N 2.99Å; L27-C32 HydrophobicContact CB-CB 4.15Å; L27-C32 VanDerWaalsContact O-CB 3.29Å; L27-C32 WeakPolarHBondContact O-CB 3.08Å; L27-C32 PolarHBondContact O-N 3.19Å; L27-C32 VanDerWaalsContact O-N 3.09Å; L27-V34 HydrophobicContact CB-CG2 3.92Å; L27-L396 HydrophobicContact CD1-CD2 4.03Å; L27-L396 HydrophobicContact CD1-CG 4.23Å; L27-L396 HydrophobicContact CD2-CD2 4.19Å; L27-L396 HydrophobicContact CD2-CG 3.92Å; L27-L396 HydrophobicContact CG-CD2 3.78Å; L27-L396 HydrophobicContact CG-CG 4.04Å; L27-Y397 HydrophobicContact CD2-CD2 4.29Å; L27-I400 HydrophobicContact CD1-CD1 4.19Å; L27-I400 HydrophobicContact CD1-CG1 3.78Å; L27-I400 HydrophobicContact CD2-CB 4.45Å; L27-I400 HydrophobicContact CD2-CG1 3.86Å; L27-I400 HydrophobicContact CG-CG1 4.5Å
28K93.8Very high93.7Very high58 Ų5823.5 Ų23.525%0.25214%0.138SC..Hα-helixtrans-61.2-41.3174.7-178.7-179168.5-169.70111.4A24 V25 Q30 G31 V34 D52 D54A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 3.24Å; V25-K28 PolarHBondContact O-N 3.41Å; K28-Q30 PolarHBondContact O-N 2.98Å; K28-G31 PolarHBondContact O-N 3.15Å; K28-V34 HydrophobicContact CB-CG2 4.18Å; K28-D52 IonicContact NZ-OD2 2.85Å; K28-D52 PolarHBondContact NZ-OD2 2.98Å; K28-D54 VanDerWaalsContact CE-CB 3.5Å; K28-D54 WeakPolarHBondContact CE-O 3.4Å; K28-D54 PolarHBondContact NZ-O 2.79Å
29S91.7Very high93.9Very high82 Ų8220.8 Ų20.857%0.57313%0.128SC*.Hα-helixtrans-64.6-22176.270.30000113.6V25 A26 L27 G31V25-S29 PolarHBondContact O-N 3.48Å; A26-S29 PolarHBondContact O-OG 2.71Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.41Å; S29-G31 VanDerWaalsContact C-N 3.27Å
30Q94Very high94.1Very high57 Ų5723 Ų2327%0.26614%0.138SC..THydrogen-bonded Turntrans-86.46.1172.7-61-75.2-11.200112.8A26 L27 K28 S393 N394 Y397A26-Q30 WeakPolarHBondContact O-CG 3.43Å; L27-Q30 WeakPolarHBondContact O-CB 3.47Å; L27-Q30 PolarHBondContact O-N 3.28Å; L27-Q30 VanDerWaalsContact O-N 3.14Å; K28-Q30 PolarHBondContact O-N 2.98Å; Q30-S393 VanDerWaalsContact CG-OG 3.24Å; Q30-S393 WeakPolarHBondContact CG-OG 3.43Å; Q30-S393 PolarHBondContact NE2-OG 3.08Å; Q30-N394 PolarHBondContact NE2-OD1 3.48Å; Q30-Y397 HydrophobicContact CB-CD2 3.61Å; Q30-Y397 HydrophobicContact CB-CE2 3.96Å; Q30-Y397 HydrophobicContact CB-CG 4.08Å; Q30-Y397 HydrophobicContact CG-CD2 4.12Å; Q30-Y397 HydrophobicContact CG-CG 4.13Å
31G93.2Very high94Very high36 Ų3624.7 Ų24.737%0.37115%0.145SC..THydrogen-bonded Turntrans80.912.5179.600000114.8L27 K28 S29L27-G31 PolarHBondContact O-N 2.99Å; K28-G31 PolarHBondContact O-N 3.15Å; S29-G31 VanDerWaalsContact C-N 3.27Å
32C94.6Very high93.9Very high8 Ų827.7 Ų27.75%0.05416%0.161CC..  trans-71.1146.1169.6-65.60000110.5A2 V4 L27 V34A2-C32 WeakPolarHBondContact O-CA 3.48Å; A2-C32 WeakPolarHBondContact O-CB 3.29Å; V4-C32 HydrophobicContact CG2-CB 4.49Å; L27-C32 HydrophobicContact CB-CB 4.15Å; L27-C32 VanDerWaalsContact O-CB 3.29Å; L27-C32 WeakPolarHBondContact O-CB 3.08Å; L27-C32 PolarHBondContact O-N 3.19Å; L27-C32 VanDerWaalsContact O-N 3.09Å; C32-V34 HydrophobicContact CB-CG2 4.12Å
33S95Very high93.6Very high77 Ų7730.9 Ų30.954%0.53818%0.182SC..EExtended strand (participates in β ladder)trans-80125.5165.7175.70000108.1A2 R3 V4A2-S33 PolarHBondContact O-N 2.94Å; A2-S33 VanDerWaalsContact O-N 3.12Å; R3-S33 CarbonylContact C-O 3.49Å; R3-S33 WeakPolarHBondContact CA-O 3.2Å; V4-S33 PolarHBondContact N-O 2.97Å
34V96.3Very high93.3Very high9 Ų939.8 Ų39.86%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-127.7136.9-171.6-178.60000110.6V4 F6 A24 L27 K28 C32 L55 P56V4-V34 WeakPolarHBondContact O-CA 3.45Å; F6-V34 HydrophobicContact CD2-CG1 3.58Å; F6-V34 HydrophobicContact CE2-CG1 3.53Å; A24-V34 HydrophobicContact CB-CG1 3.79Å; L27-V34 HydrophobicContact CB-CG2 3.92Å; K28-V34 HydrophobicContact CB-CG2 4.18Å; C32-V34 HydrophobicContact CB-CG2 4.12Å; V34-L55 HydrophobicContact CB-CD1 4.26Å; V34-L55 HydrophobicContact CG1-CD1 3.81Å; V34-P56 WeakPolarHBondContact O-CD 3.2Å
35Q95.6Very high92.9Very high42 Ų4244.6 Ų44.620%0.19624%0.243CC..EExtended strand (participates in β ladder)trans-139.3138.2170.8-174.2172.95900109.9V4 V5 F6 W37 P56 V58V4-Q35 PolarHBondContact O-N 2.85Å; V4-Q35 VanDerWaalsContact O-N 3.16Å; V5-Q35 WeakPolarHBondContact CA-O 3.22Å; F6-Q35 PolarHBondContact N-O 3.43Å; Q35-W37 VanDerWaalsContact CD-NE1 3.34Å; Q35-P56 HydrophobicContact CB-CG 4.17Å; Q35-P56 HydrophobicContact CG-CB 4.3Å; Q35-P56 HydrophobicContact CG-CG 4Å; Q35-P56 WeakPolarHBondContact CG-O 3.21Å; Q35-V58 HydrophobicContact CG-CG2 4.07Å
36I96.5Very high92.7Very high0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-101.6129.2177-53.9176.8000109.1F6 L11 A24 L55 P56 V57 V58F6-I36 HydrophobicContact CB-CB 4.39Å; F6-I36 HydrophobicContact CB-CG1 4.14Å; F6-I36 HydrophobicContact CB-CG2 4.3Å; L11-I36 HydrophobicContact CD1-CG2 4.47Å; L11-I36 HydrophobicContact CD2-CG2 4.01Å; A24-I36 HydrophobicContact CB-CD1 3.82Å; A24-I36 HydrophobicContact CB-CG1 4.06Å; I36-L55 HydrophobicContact CD1-CD1 4.25Å; I36-L55 HydrophobicContact CD1-CD2 4.07Å; I36-L55 HydrophobicContact CD1-CG 4.15Å; I36-L55 HydrophobicContact CG1-CD1 4.32Å; I36-P56 PolarHBondContact N-O 2.92Å; I36-V57 HydrophobicContact CB-CG2 4.3Å; I36-V57 CarbonylContact O-C 3.53Å; I36-V57 WeakPolarHBondContact O-CA 3.4Å; I36-V58 PolarHBondContact O-N 2.96Å
37W96.6Very high92.4Very high7 Ų744.6 Ų44.63%0.02724%0.24CC..EExtended strand (participates in β ladder)trans-113.5129.6175-77.667.2000109.4V5 F6 L7 H8 Q35 V58 A60 V84 Y87 L88 V94V5-W37 HydrophobicContact CG1-CB 4.42Å; V5-W37 HydrophobicContact CG1-CG 4.09Å; F6-W37 WeakPolarHBondContact O-CB 3.37Å; F6-W37 PolarHBondContact O-N 3.49Å; L7-W37 WeakPolarHBondContact CA-O 3.33Å; L7-W37 HydrophobicContact CD1-CB 3.85Å; H8-W37 PolarHBondContact N-O 3.44Å; Q35-W37 VanDerWaalsContact CD-NE1 3.34Å; W37-V58 WeakPolarHBondContact CA-O 3.31Å; W37-V58 HydrophobicContact CD2-CB 3.97Å; W37-V58 HydrophobicContact CD2-CG1 4.12Å; W37-V58 HydrophobicContact CE3-CB 4.29Å; W37-V58 HydrophobicContact CE3-CG1 3.97Å; W37-V58 HydrophobicContact CG-CB 4.34Å; W37-V58 HydrophobicContact CH2-CG1 3.81Å; W37-V58 HydrophobicContact CZ2-CB 4.25Å; W37-V58 HydrophobicContact CZ2-CG1 3.96Å; W37-V58 HydrophobicContact CZ2-CG2 4.34Å; W37-V58 HydrophobicContact CZ3-CG1 3.8Å; W37-A60 HydrophobicContact CE3-CB 4.31Å; W37-A60 HydrophobicContact CZ3-CB 4.15Å; W37-V84 HydrophobicContact CB-CG1 4.18Å; W37-V84 HydrophobicContact CE3-CG1 4Å; W37-Y87 AromaticContact CH2-CD1 3.84Å; W37-Y87 HydrophobicContact CH2-CD1 3.84Å; W37-Y87 AromaticContact CH2-CE1 3.97Å; W37-Y87 HydrophobicContact CH2-CE1 3.97Å; W37-Y87 AromaticContact CZ3-CD1 3.57Å; W37-Y87 HydrophobicContact CZ3-CD1 3.57Å; W37-Y87 HydrophobicContact CZ3-CE1 4.05Å; W37-L88 HydrophobicContact CD2-CD1 3.95Å; W37-L88 HydrophobicContact CE3-CB 4.32Å; W37-L88 HydrophobicContact CE3-CD1 4.41Å; W37-L88 HydrophobicContact CG-CD1 4.46Å; W37-L88 HydrophobicContact CH2-CD1 4.27Å; W37-L88 HydrophobicContact CZ2-CD1 3.78Å; W37-L88 HydrophobicContact CZ3-CB 4.41Å; W37-V94 HydrophobicContact CZ2-CG2 4.01Å
38T95.3Very high92Very high0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-140.5156.8-178.4-179.70000112.3H8 P9 L11 H40 V57 V58 C59 A60H8-T38 WeakPolarHBondContact O-CA 3.39Å; H8-T38 WeakPolarHBondContact O-CB 3.48Å; H8-T38 PolarHBondContact O-OG1 3.33Å; P9-T38 PolarHBondContact O-OG1 2.9Å; L11-T38 HydrophobicContact CB-CG2 4.05Å; L11-T38 PolarHBondContact N-OG1 3.16Å; T38-H40 WeakPolarHBondContact CG2-O 3.47Å; T38-H40 PolarHBondContact OG1-N 3.22Å; T38-H40 PolarHBondContact OG1-O 2.9Å; T38-V57 HydrophobicContact CG2-CG1 3.93Å; T38-V58 PolarHBondContact N-O 3.3Å; T38-C59 HydrophobicContact CG2-CB 4.44Å; T38-C59 CarbonylContact O-C 3.47Å; T38-C59 WeakPolarHBondContact O-CA 3Å; T38-A60 PolarHBondContact O-N 2.8Å
39A93.6Very high91.7Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-80.5-33.2172.500000112P9 C59 A60 D62 R80 V84P9-A39 VanDerWaalsContact O-CB 3.28Å; P9-A39 WeakPolarHBondContact O-CB 3.24Å; P9-A39 PolarHBondContact O-N 2.94Å; A39-C59 PolarHBondContact O-SG 2.74Å; A39-C59 VanDerWaalsContact O-SG 3.35Å; A39-A60 WeakPolarHBondContact CA-O 3.33Å; A39-D62 VanDerWaalsContact O-CA 3.24Å; A39-D62 WeakPolarHBondContact O-CA 3.38Å; A39-D62 PolarHBondContact O-N 2.82Å; A39-R80 HydrophobicContact CB-CB 3.83Å; A39-R80 HydrophobicContact CB-CG 4.46Å; A39-R80 PolarHBondContact O-NH2 3.42Å; A39-V84 HydrophobicContact CB-CG2 3.81Å
40H92.4Very high91.6Very high55 Ų5544.3 Ų44.326%0.25524%0.241SC..EExtended strand (participates in β ladder)trans-128.3140.5177.1-170.356.1000111.1P9 D10 L11 T38 D62P9-H40 PolarHBondContact O-N 2.85Å; D10-H40 HydrophobicContact CB-CB 4.4Å; D10-H40 IonicContact OD1-CD2 3.7Å; D10-H40 PolarHBondContact OD1-CD2 3.31Å; D10-H40 VanDerWaalsContact OD1-CD2 3.3Å; D10-H40 IonicContact OD1-CG 2.7Å; D10-H40 IonicContact OD2-CD2 3.58Å; L11-H40 PolarHBondContact N-O 2.78Å; T38-H40 WeakPolarHBondContact CG2-O 3.47Å; T38-H40 PolarHBondContact OG1-N 3.22Å; T38-H40 PolarHBondContact OG1-O 2.9Å; H40-D62 IonicContact CE1-OD1 3.36Å; H40-D62 IonicContact CG-OD1 2.91Å; H40-D62 IonicContact ND1-OD1 2.81Å; H40-D62 PolarHBondContact ND1-OD1 3.45Å; H40-D62 IonicContact ND1-OD2 3.94Å
41Y92.1Very high91.3Very high37 Ų3748.4 Ų48.415%0.14525%0.254CS..  trans-150.5118.9171.4-177.1-124.5000110.2L11 P43 C46 T50 V57L11-Y41 HydrophobicContact CB-CD2 4.08Å; L11-Y41 HydrophobicContact CD2-CD2 3.97Å; L11-Y41 HydrophobicContact CD2-CE2 4.04Å; L11-Y41 HydrophobicContact CG-CD2 4.35Å; Y41-P43 HydrophobicContact CD1-CG 4.15Å; Y41-P43 HydrophobicContact CE1-CB 4.45Å; Y41-P43 HydrophobicContact CE1-CG 3.94Å; Y41-C46 HydrophobicContact CD2-CB 4.32Å; Y41-C46 HydrophobicContact CE2-CB 3.5Å; Y41-C46 PolarHBondContact OH-SG 3.03Å; Y41-C46 VanDerWaalsContact OH-SG 3.4Å; Y41-T50 WeakPolarHBondContact CE2-OG1 3.39Å; Y41-T50 PolarHBondContact OH-O 3.46Å; Y41-T50 PolarHBondContact OH-OG1 3.35Å; Y41-V57 HydrophobicContact CD1-CG1 4.08Å; Y41-V57 HydrophobicContact CD2-CG1 4.13Å; Y41-V57 HydrophobicContact CE1-CB 4.36Å; Y41-V57 HydrophobicContact CE1-CG1 4.33Å; Y41-V57 HydrophobicContact CE2-CG1 4.39Å; Y41-V57 HydrophobicContact CG-CG1 3.96Å
42D89.4Confident91.1Very high62 Ų6249.7 Ų49.733%0.33225%0.252SS..  trans-106.1108.6169.9-177.80.1000109.8K44 H45D42-K44 PolarHBondContact O-N 3.46Å; D42-K44 WeakPolarHBondContact OD1-CB 3.32Å; D42-K44 PolarHBondContact OD1-N 2.98Å; D42-H45 HydrophobicContact CB-CB 4.29Å; D42-H45 CarbonylContact O-C 3.58Å; D42-H45 VanDerWaalsContact O-C 3.29Å; D42-H45 PolarHBondContact O-N 3.16Å
43P86.7Confident90.7Very high73 Ų7354.9 Ų54.947%0.47429%0.286SS..THydrogen-bonded Turntrans-58.1-19.3176.5-24.734.1000114.1Y41 C46 R51Y41-P43 HydrophobicContact CD1-CG 4.15Å; Y41-P43 HydrophobicContact CE1-CB 4.45Å; Y41-P43 HydrophobicContact CE1-CG 3.94Å; P43-C46 PolarHBondContact O-SG 3.07Å; P43-C46 VanDerWaalsContact O-SG 3.36Å; P43-R51 PolarHBondContact O-NE 2.67Å; P43-R51 PolarHBondContact O-NH2 3.33Å
44K87.6Confident90.2Very high187 Ų18756.9 Ų56.981%0.81329%0.29SS*.THydrogen-bonded Turntrans-84-19.6176.2-61.7178.2-178.6175.10112.8D42D42-K44 PolarHBondContact O-N 3.46Å; D42-K44 WeakPolarHBondContact OD1-CB 3.32Å; D42-K44 PolarHBondContact OD1-N 2.98Å
45H86.4Confident90Very high102 Ų10256.5 Ų56.547%0.47229%0.288SS..SBendtrans-132.563.8-176.5-167.868.1000111.1I13 D42I13-H45 VanDerWaalsContact CD1-CE1 3.47Å; I13-H45 WeakPolarHBondContact CD1-CE1 3.32Å; D42-H45 HydrophobicContact CB-CB 4.29Å; D42-H45 CarbonylContact O-C 3.58Å; D42-H45 VanDerWaalsContact O-C 3.29Å; D42-H45 PolarHBondContact O-N 3.16Å
46C87.9Confident89.9Confident12 Ų1256.9 Ų56.98%0.08129%0.294CS..SBendtrans-143.6168.2-178.863.50000111.5Y41 P43 R51Y41-C46 HydrophobicContact CD2-CB 4.32Å; Y41-C46 HydrophobicContact CE2-CB 3.5Å; Y41-C46 PolarHBondContact OH-SG 3.03Å; Y41-C46 VanDerWaalsContact OH-SG 3.4Å; P43-C46 PolarHBondContact O-SG 3.07Å; P43-C46 VanDerWaalsContact O-SG 3.36Å; C46-R51 PolarHBondContact SG-NE 2.83Å
47F86.3Confident89.8Confident32 Ų3258.4 Ų58.414%0.1430%0.303CS..  trans-67.2143.5170.6-67.4-72.6000111I13 E17 R18 V21 E49 T50I13-F47 HydrophobicContact CG2-CE1 4.42Å; I13-F47 HydrophobicContact CG2-CZ 4.21Å; E17-F47 HydrophobicContact CB-CE2 3.83Å; R18-F47 HydrophobicContact CB-CE1 4.37Å; R18-F47 HydrophobicContact CB-CE2 4.13Å; R18-F47 HydrophobicContact CB-CZ 3.73Å; R18-F47 HydrophobicContact CG-CZ 4.43Å; V21-F47 HydrophobicContact CG1-CB 4.39Å; V21-F47 HydrophobicContact CG2-CB 4.45Å; V21-F47 HydrophobicContact CG2-CD2 3.95Å; F47-E49 PolarHBondContact O-N 2.92Å; F47-T50 HydrophobicContact CB-CG2 4.37Å; F47-T50 PolarHBondContact O-N 2.92Å; F47-T50 VanDerWaalsContact O-N 3.13Å; F47-T50 PolarHBondContact O-OG1 3.4Å
48S86Confident89.7Confident86 Ų8660.1 Ų60.160%0.60131%0.314SS*.G310 helixtrans-56.4-36-179.636.40000113.2T50 R51S48-T50 PolarHBondContact O-N 2.96Å; S48-R51 WeakPolarHBondContact O-CB 3.43Å; S48-R51 PolarHBondContact O-N 3.36Å; S48-R51 VanDerWaalsContact O-N 3.07Å
49E88.8Confident89.7Confident43 Ų4362.5 Ų62.520%0.20133%0.331CS..G310 helixtrans-62.3-28.7-178-61.491.713600111.9R18 V21 V25 F47 R51 D52R18-E49 IonicContact CZ-OE1 2.68Å; R18-E49 VanDerWaalsContact CZ-OE1 3.28Å; R18-E49 IonicContact NH1-OE1 3.16Å; R18-E49 PolarHBondContact NH1-OE1 3.09Å; R18-E49 IonicContact NH1-OE2 3.99Å; R18-E49 IonicContact NH2-OE1 3.7Å; R18-E49 PolarHBondContact NH2-OE1 2.94Å; V21-E49 HydrophobicContact CG1-CB 3.71Å; V21-E49 HydrophobicContact CG1-CG 4.32Å; V25-E49 HydrophobicContact CG2-CB 4.2Å; V25-E49 HydrophobicContact CG2-CG 4.43Å; F47-E49 PolarHBondContact O-N 2.92Å; E49-R51 PolarHBondContact O-N 2.93Å; E49-D52 VanDerWaalsContact O-CB 3.3Å; E49-D52 WeakPolarHBondContact O-CB 3.33Å; E49-D52 PolarHBondContact O-N 2.85Å
50T89.4Confident89.7Confident5 Ų563 Ų633%0.03133%0.334CS..G310 helixtrans-80.9-4.1179.4690000113L11 V21 Y41 F47 S48L11-T50 HydrophobicContact CD2-CG2 3.83Å; L11-T50 HydrophobicContact CG-CG2 4.43Å; V21-T50 HydrophobicContact CG1-CG2 4.2Å; V21-T50 HydrophobicContact CG2-CG2 3.46Å; V21-T50 VanDerWaalsContact CG2-CG2 3.46Å; Y41-T50 WeakPolarHBondContact CE2-OG1 3.39Å; Y41-T50 PolarHBondContact OH-O 3.46Å; Y41-T50 PolarHBondContact OH-OG1 3.35Å; F47-T50 HydrophobicContact CB-CG2 4.37Å; F47-T50 PolarHBondContact O-N 2.92Å; F47-T50 VanDerWaalsContact O-N 3.13Å; F47-T50 PolarHBondContact O-OG1 3.4Å; S48-T50 PolarHBondContact O-N 2.96Å
51R88Confident89.4Confident143 Ų14360.7 Ų60.754%0.5433%0.326SS..G310 helixtrans-93.3-9.3171.9-58.3-179.4-179156.93.1112.5P43 C46 S48 E49 P53P43-R51 PolarHBondContact O-NE 2.67Å; P43-R51 PolarHBondContact O-NH2 3.33Å; C46-R51 PolarHBondContact SG-NE 2.83Å; S48-R51 WeakPolarHBondContact O-CB 3.43Å; S48-R51 PolarHBondContact O-N 3.36Å; S48-R51 VanDerWaalsContact O-N 3.07Å; E49-R51 PolarHBondContact O-N 2.93Å; R51-P53 WeakPolarHBondContact O-CD 3.31Å
52D88.1Confident89.4Confident64 Ų6462.6 Ų62.634%0.34234%0.338SS..  trans-63.9121.5175.2179.60.9000109.6K28 E49 D54 L55K28-D52 IonicContact NZ-OD2 2.85Å; K28-D52 PolarHBondContact NZ-OD2 2.98Å; E49-D52 VanDerWaalsContact O-CB 3.3Å; E49-D52 WeakPolarHBondContact O-CB 3.33Å; E49-D52 PolarHBondContact O-N 2.85Å; D52-D54 PolarHBondContact O-N 3.33Å; D52-D54 VanDerWaalsContact O-N 3.12Å; D52-D54 WeakPolarHBondContact OD1-CB 3.41Å; D52-D54 PolarHBondContact OD1-N 3.37Å; D52-L55 HydrophobicContact CB-CB 4.42Å; D52-L55 CarbonylContact O-C 3.39Å; D52-L55 PolarHBondContact O-N 2.93Å
53P85.7Confident89.5Confident116 Ų11668.2 Ų68.275%0.75336%0.355SS*.THydrogen-bonded Turntrans-55.1-28.3176-25.434.8000113.8R51 L55R51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-L55 PolarHBondContact O-N 3.49Å
54D86.3Confident89.8Confident120 Ų12066.2 Ų66.264%0.64234%0.34SS*.THydrogen-bonded Turntrans-80.6-4.6179.6-68.3-25.9000112.3K28 D52K28-D54 VanDerWaalsContact CE-CB 3.5Å; K28-D54 WeakPolarHBondContact CE-O 3.4Å; K28-D54 PolarHBondContact NZ-O 2.79Å; D52-D54 PolarHBondContact O-N 3.33Å; D52-D54 VanDerWaalsContact O-N 3.12Å; D52-D54 WeakPolarHBondContact OD1-CB 3.41Å; D52-D54 PolarHBondContact OD1-N 3.37Å
55L91.2Very high90Very high1 Ų160.8 Ų60.81%0.00532%0.324CS..SBendtrans-120.976.7169.9-175.861.6000109.7A24 V25 V34 I36 D52 P53 V57A24-L55 HydrophobicContact CB-CD1 3.87Å; A24-L55 HydrophobicContact CB-CD2 4.31Å; V25-L55 HydrophobicContact CG2-CD2 3.99Å; V34-L55 HydrophobicContact CB-CD1 4.26Å; V34-L55 HydrophobicContact CG1-CD1 3.81Å; I36-L55 HydrophobicContact CD1-CD1 4.25Å; I36-L55 HydrophobicContact CD1-CD2 4.07Å; I36-L55 HydrophobicContact CD1-CG 4.15Å; I36-L55 HydrophobicContact CG1-CD1 4.32Å; D52-L55 HydrophobicContact CB-CB 4.42Å; D52-L55 CarbonylContact O-C 3.39Å; D52-L55 PolarHBondContact O-N 2.93Å; P53-L55 PolarHBondContact O-N 3.49Å; L55-V57 PolarHBondContact O-N 2.86Å
56P93.4Very high90.1Very high50 Ų5059.8 Ų59.833%0.32533%0.325SS..  trans-64.8129.1-172.724-33000112V34 Q35 I36V34-P56 WeakPolarHBondContact O-CD 3.2Å; Q35-P56 HydrophobicContact CB-CG 4.17Å; Q35-P56 HydrophobicContact CG-CB 4.3Å; Q35-P56 HydrophobicContact CG-CG 4Å; Q35-P56 WeakPolarHBondContact CG-O 3.21Å; I36-P56 PolarHBondContact N-O 2.92Å
57V95Very high90.2Very high31 Ų3160.8 Ų60.819%0.18833%0.332CS..EExtended strand (participates in β ladder)trans-105.3125.3170.2-176.10000109.7L11 I36 T38 Y41 L55L11-V57 HydrophobicContact CD2-CG1 3.8Å; L11-V57 HydrophobicContact CD2-CG2 3.97Å; I36-V57 HydrophobicContact CB-CG2 4.3Å; I36-V57 CarbonylContact O-C 3.53Å; I36-V57 WeakPolarHBondContact O-CA 3.4Å; T38-V57 HydrophobicContact CG2-CG1 3.93Å; Y41-V57 HydrophobicContact CD1-CG1 4.08Å; Y41-V57 HydrophobicContact CD2-CG1 4.13Å; Y41-V57 HydrophobicContact CE1-CB 4.36Å; Y41-V57 HydrophobicContact CE1-CG1 4.33Å; Y41-V57 HydrophobicContact CE2-CG1 4.39Å; Y41-V57 HydrophobicContact CG-CG1 3.96Å; L55-V57 PolarHBondContact O-N 2.86Å
58V94.8Very high90.4Very high43 Ų4362.2 Ų62.226%0.26134%0.344SS..EExtended strand (participates in β ladder)trans-111.4114.6176.3-176.30000108.8Q35 I36 W37 T38Q35-V58 HydrophobicContact CG-CG2 4.07Å; I36-V58 PolarHBondContact O-N 2.96Å; W37-V58 WeakPolarHBondContact CA-O 3.31Å; W37-V58 HydrophobicContact CD2-CB 3.97Å; W37-V58 HydrophobicContact CD2-CG1 4.12Å; W37-V58 HydrophobicContact CE3-CB 4.29Å; W37-V58 HydrophobicContact CE3-CG1 3.97Å; W37-V58 HydrophobicContact CG-CB 4.34Å; W37-V58 HydrophobicContact CH2-CG1 3.81Å; W37-V58 HydrophobicContact CZ2-CB 4.25Å; W37-V58 HydrophobicContact CZ2-CG1 3.96Å; W37-V58 HydrophobicContact CZ2-CG2 4.34Å; W37-V58 HydrophobicContact CZ3-CG1 3.8Å; T38-V58 PolarHBondContact N-O 3.3Å
59C94.1Very high90.5Very high51 Ų5167.5 Ų67.535%0.34536%0.356SS..EExtended strand (participates in β ladder)trans-93.2120.6174.5-167.90000109.7T38 A39T38-C59 HydrophobicContact CG2-CB 4.44Å; T38-C59 CarbonylContact O-C 3.47Å; T38-C59 WeakPolarHBondContact O-CA 3Å; A39-C59 PolarHBondContact O-SG 2.74Å; A39-C59 VanDerWaalsContact O-SG 3.35Å
60A93.3Very high90.2Very high9 Ų967.5 Ų67.57%0.07437%0.368CS..  trans-125.7128.4179.600000110.8W37 T38 A39 V84W37-A60 HydrophobicContact CE3-CB 4.31Å; W37-A60 HydrophobicContact CZ3-CB 4.15Å; T38-A60 PolarHBondContact O-N 2.8Å; A39-A60 WeakPolarHBondContact CA-O 3.33Å; A60-V84 HydrophobicContact CB-CG1 4.37Å; A60-V84 HydrophobicContact CB-CG2 4.33Å; A60-V84 VanDerWaalsContact O-CG2 3.24Å; A60-V84 WeakPolarHBondContact O-CG2 3.34Å
61G87.6Confident90Very high7 Ų775.5 Ų75.57%0.07240%0.399CS..  trans81.822.617600000114.3W63 L64 R80 Y83G61-W63 PolarHBondContact O-N 3.14Å; G61-W63 VanDerWaalsContact O-N 3.14Å; G61-L64 VanDerWaalsContact O-CB 3.28Å; G61-L64 WeakPolarHBondContact O-CB 3.47Å; G61-L64 PolarHBondContact O-N 3.29Å; G61-R80 PolarHBondContact O-NH1 3.47Å; G61-Y83 VanDerWaalsContact CA-CE1 3.41Å
62D90.9Very high89.9Confident77 Ų7772 Ų7241%0.41239%0.39SS..THydrogen-bonded Turntrans-56.6-32.9-179.9-162.928.4000113A39 H40 L64 R80A39-D62 VanDerWaalsContact O-CA 3.24Å; A39-D62 WeakPolarHBondContact O-CA 3.38Å; A39-D62 PolarHBondContact O-N 2.82Å; H40-D62 IonicContact CE1-OD1 3.36Å; H40-D62 IonicContact CG-OD1 2.91Å; H40-D62 IonicContact ND1-OD1 2.81Å; H40-D62 PolarHBondContact ND1-OD1 3.45Å; H40-D62 IonicContact ND1-OD2 3.94Å; D62-L64 PolarHBondContact O-N 3.44Å; D62-L64 VanDerWaalsContact O-N 3.16Å; D62-R80 PolarHBondContact O-NH1 3.08Å; D62-R80 VanDerWaalsContact O-NH1 3.11Å; D62-R80 IonicContact OD1-NH2 3.18Å
63W91.9Very high89.9Confident181 Ų18174.1 Ų74.169%0.68640%0.398SS*.THydrogen-bonded Turntrans-63.3-14.6174.959.1-95.5000115.1G61 Y83G61-W63 PolarHBondContact O-N 3.14Å; G61-W63 VanDerWaalsContact O-N 3.14Å; W63-Y83 HydrophobicContact CZ2-CD2 4.46Å; W63-Y83 HydrophobicContact CZ2-CE1 4.47Å; W63-Y83 AromaticContact CZ2-CE2 3.86Å; W63-Y83 HydrophobicContact CZ2-CE2 3.86Å; W63-Y83 AromaticContact CZ2-CZ 3.86Å
64L92.9Very high89.9Confident31 Ų3169.3 Ų69.316%0.16237%0.368CS..SBendtrans-71.7138177-73.9166.3000110.4G61 D62 T66 R80 Y83G61-L64 VanDerWaalsContact O-CB 3.28Å; G61-L64 WeakPolarHBondContact O-CB 3.47Å; G61-L64 PolarHBondContact O-N 3.29Å; D62-L64 PolarHBondContact O-N 3.44Å; D62-L64 VanDerWaalsContact O-N 3.16Å; L64-T66 PolarHBondContact O-N 3.5Å; L64-R80 HydrophobicContact CB-CG 3.62Å; L64-R80 HydrophobicContact CD1-CG 3.98Å; L64-R80 HydrophobicContact CG-CG 4.45Å; L64-R80 PolarHBondContact O-NH1 3.33Å; L64-Y83 HydrophobicContact CD1-CD1 3.99Å; L64-Y83 HydrophobicContact CD1-CD2 4.45Å; L64-Y83 HydrophobicContact CD1-CG 3.79Å
65P91.1Very high90Very high73 Ų7366.8 Ų66.847%0.47435%0.354SS..  trans-64.9139.5-177.826-33.9000112.2S67 C76P65-S67 VanDerWaalsContact C-N 3.3Å; P65-S67 WeakPolarHBondContact CB-O 3.37Å; P65-C76 VanDerWaalsContact O-CB 3.27Å; P65-C76 WeakPolarHBondContact O-CB 3.46Å; P65-C76 PolarHBondContact O-SG 2.88Å
66T89.2Confident90Very high81 Ų8167 Ų6750%0.49736%0.356SS..SBendtrans-78.8-16.2170.956.80000112.7L64 H73 C76L64-T66 PolarHBondContact O-N 3.5Å; T66-H73 PolarHBondContact O-ND1 3.39Å; T66-C76 WeakPolarHBondContact O-CB 3.23Å
67S91.1Very high89.9Confident32 Ų3266 Ų6622%0.22435%0.352CS..  trans-158158.8173.869.20000110.7P65 Y71 H73P65-S67 VanDerWaalsContact C-N 3.3Å; P65-S67 WeakPolarHBondContact CB-O 3.37Å; S67-Y71 WeakPolarHBondContact CA-O 3.3Å; S67-Y71 WeakPolarHBondContact CB-O 3.47Å; S67-H73 WeakPolarHBondContact CB-CE1 3.31Å
68V89.9Confident89.8Confident63 Ų6364.8 Ų64.838%0.38234%0.344SS..BIsolated β-bridgetrans-110112.9171.8-178.70000107.7G70 Y71 L72V68-G70 PolarHBondContact O-N 3.22Å; V68-Y71 PolarHBondContact N-O 2.84Å; V68-Y71 PolarHBondContact O-N 2.95Å; V68-L72 HydrophobicContact CB-CD1 4.41Å
69F87.9Confident89.7Confident196 Ų19667.3 Ų67.386%0.8636%0.356SS*.THydrogen-bonded Turntrans52.731.1-173.6-55.2-70.8000114.5Y71F69-Y71 VanDerWaalsContact C-N 3.32Å; F69-Y71 HydrophobicContact CB-CD2 4.45Å; F69-Y71 WeakPolarHBondContact O-CD2 3.47Å; F69-Y71 WeakPolarHBondContact O-CE2 3.42Å
70G83.1Confident89.7Confident44 Ų4465.5 Ų65.545%0.45434%0.341SS..THydrogen-bonded Turntrans79.810.3-17600000114.7V68 H73V68-G70 PolarHBondContact O-N 3.22Å; G70-H73 PolarHBondContact O-NE2 3.14Å
71Y84.4Confident89.8Confident172 Ų17265.1 Ų65.168%0.67534%0.338SS*.BIsolated β-bridgetrans-120.9176.1176.3-60.1-83000111.4S67 V68 F69 H73S67-Y71 WeakPolarHBondContact CA-O 3.3Å; S67-Y71 WeakPolarHBondContact CB-O 3.47Å; V68-Y71 PolarHBondContact N-O 2.84Å; V68-Y71 PolarHBondContact O-N 2.95Å; F69-Y71 VanDerWaalsContact C-N 3.32Å; F69-Y71 HydrophobicContact CB-CD2 4.45Å; F69-Y71 WeakPolarHBondContact O-CD2 3.47Å; F69-Y71 WeakPolarHBondContact O-CE2 3.42Å; Y71-H73 VanDerWaalsContact C-N 3.27Å; Y71-H73 PolarHBondContact O-N 2.78Å
72L86.2Confident90.2Very high69 Ų6967.6 Ų67.636%0.36135%0.349SS..  trans62.525.2171.9-52.4176.9000115.4V68 A74 L75 C76 Y142V68-L72 HydrophobicContact CB-CD1 4.41Å; L72-A74 PolarHBondContact O-N 3.15Å; L72-A74 VanDerWaalsContact O-N 3.12Å; L72-L75 HydrophobicContact CB-CB 4.3Å; L72-L75 HydrophobicContact CD1-CD2 4.43Å; L72-L75 PolarHBondContact O-N 3.34Å; L72-C76 PolarHBondContact O-N 3.01Å; L72-Y142 HydrophobicContact CD2-CD2 4.08Å; L72-Y142 HydrophobicContact CD2-CE1 4.47Å; L72-Y142 HydrophobicContact CD2-CE2 3.34Å
73H87.4Confident90.5Very high110 Ų11067.1 Ų67.151%0.50934%0.342SS..Hα-helixtrans-46.9-44.3179.4-68.4-82.9000113.9T66 S67 G70 Y71 C76 A77T66-H73 PolarHBondContact O-ND1 3.39Å; S67-H73 WeakPolarHBondContact CB-CE1 3.31Å; G70-H73 PolarHBondContact O-NE2 3.14Å; Y71-H73 VanDerWaalsContact C-N 3.27Å; Y71-H73 PolarHBondContact O-N 2.78Å; H73-C76 WeakPolarHBondContact O-CB 3.46Å; H73-C76 PolarHBondContact O-N 2.91Å; H73-A77 WeakPolarHBondContact O-CB 3.35Å; H73-A77 PolarHBondContact O-N 2.84Å
74A85.9Confident90.6Very high15 Ų1558.5 Ų58.512%0.12431%0.309CS..Hα-helixtrans-65.7-41.3179.400000113.2L72 A77 Y78 R143 I146L72-A74 PolarHBondContact O-N 3.15Å; L72-A74 VanDerWaalsContact O-N 3.12Å; A74-A77 PolarHBondContact O-N 3.21Å; A74-Y78 WeakPolarHBondContact O-CD1 3.43Å; A74-Y78 PolarHBondContact O-N 3.39Å; A74-R143 VanDerWaalsContact CB-CZ 3.46Å; A74-I146 HydrophobicContact CB-CD1 4.33Å
75L88.9Confident90.8Very high66 Ų6657 Ų5735%0.34630%0.302SS..Hα-helixtrans-65.2-42.6176179.765.4000110.8L72 Y78 L79L72-L75 HydrophobicContact CB-CB 4.3Å; L72-L75 HydrophobicContact CD1-CD2 4.43Å; L72-L75 PolarHBondContact O-N 3.34Å; L75-Y78 WeakPolarHBondContact O-CB 3.45Å; L75-Y78 PolarHBondContact O-N 3.42Å; L75-L79 HydrophobicContact CG-CD1 4.33Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.4Å
76C91.5Very high91Very high6 Ų658.1 Ų58.14%0.04130%0.299CS..Hα-helixtrans-58.8-45.8174.2-77.50000112P65 T66 L72 H73 Y78 L79 R80P65-C76 VanDerWaalsContact O-CB 3.27Å; P65-C76 WeakPolarHBondContact O-CB 3.46Å; P65-C76 PolarHBondContact O-SG 2.88Å; T66-C76 WeakPolarHBondContact O-CB 3.23Å; L72-C76 PolarHBondContact O-N 3.01Å; H73-C76 WeakPolarHBondContact O-CB 3.46Å; H73-C76 PolarHBondContact O-N 2.91Å; C76-Y78 VanDerWaalsContact C-N 3.31Å; C76-Y78 PolarHBondContact O-N 3.23Å; C76-L79 PolarHBondContact O-N 2.85Å; C76-R80 WeakPolarHBondContact O-CB 3.49Å; C76-R80 VanDerWaalsContact O-CG 3.25Å; C76-R80 WeakPolarHBondContact O-CG 3.31Å; C76-R80 PolarHBondContact O-N 2.85Å
77A90.6Very high91.3Very high30 Ų3058.4 Ų58.425%0.24829%0.291CS..Hα-helixtrans-59.4-41.5175.200000111.9H73 A74 R80 M81H73-A77 WeakPolarHBondContact O-CB 3.35Å; H73-A77 PolarHBondContact O-N 2.84Å; A74-A77 PolarHBondContact O-N 3.21Å; A77-R80 PolarHBondContact O-N 3.18Å; A77-M81 WeakPolarHBondContact O-CB 3.36Å; A77-M81 WeakPolarHBondContact O-CG 3.48Å; A77-M81 PolarHBondContact O-N 3.24Å
78Y92.4Very high91.4Very high5 Ų556.9 Ų56.92%0.0228%0.281CS..Hα-helixtrans-63.1-48.4177.1-82.734.2000111.6A74 L75 C76 R80 M81 I82 V104 V106 I146 M149A74-Y78 WeakPolarHBondContact O-CD1 3.43Å; A74-Y78 PolarHBondContact O-N 3.39Å; L75-Y78 WeakPolarHBondContact O-CB 3.45Å; L75-Y78 PolarHBondContact O-N 3.42Å; C76-Y78 VanDerWaalsContact C-N 3.31Å; C76-Y78 PolarHBondContact O-N 3.23Å; Y78-R80 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 2.93Å; Y78-M81 PolarHBondContact O-N 2.83Å; Y78-I82 WeakPolarHBondContact O-CB 3.34Å; Y78-I82 WeakPolarHBondContact O-CD1 3.29Å; Y78-I82 VanDerWaalsContact O-CG1 3.23Å; Y78-I82 WeakPolarHBondContact O-CG1 3.22Å; Y78-I82 PolarHBondContact O-N 3.33Å; Y78-V104 HydrophobicContact CD1-CG1 3.66Å; Y78-V104 HydrophobicContact CE1-CG1 3.88Å; Y78-V104 HydrophobicContact CG-CG1 4.4Å; Y78-V106 HydrophobicContact CD1-CG1 4.04Å; Y78-V106 HydrophobicContact CD2-CB 3.68Å; Y78-V106 HydrophobicContact CD2-CG1 3.59Å; Y78-V106 HydrophobicContact CD2-CG2 3.75Å; Y78-V106 HydrophobicContact CE2-CB 3.89Å; Y78-V106 HydrophobicContact CE2-CG1 4.19Å; Y78-V106 HydrophobicContact CE2-CG2 4.12Å; Y78-V106 HydrophobicContact CG-CB 4.11Å; Y78-V106 HydrophobicContact CG-CG1 3.48Å; Y78-V106 VanDerWaalsContact CG-CG1 3.48Å; Y78-V106 HydrophobicContact CG-CG2 4.49Å; Y78-I146 HydrophobicContact CD2-CG2 4.48Å; Y78-I146 HydrophobicContact CE1-CG2 4.14Å; Y78-I146 HydrophobicContact CE2-CG2 3.66Å; Y78-I146 VanDerWaalsContact CZ-CG2 3.44Å; Y78-I146 VanDerWaalsContact OH-CG2 3.26Å; Y78-I146 WeakPolarHBondContact OH-CG2 3.2Å; Y78-I146 PolarHBondContact OH-O 3.42Å; Y78-M149 HydrophobicContact CD2-CE 4.01Å; Y78-M149 HydrophobicContact CE2-CB 4.33Å; Y78-M149 HydrophobicContact CE2-CE 4.01Å
79L93.7Very high91.6Very high96 Ų9655.1 Ų55.150%0.50327%0.27SS..Hα-helixtrans-61.5-42.1178.7-69174000111.8L75 C76 I82 Y83L75-L79 HydrophobicContact CG-CD1 4.33Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.4Å; C76-L79 PolarHBondContact O-N 2.85Å; L79-I82 PolarHBondContact O-N 2.99Å; L79-Y83 WeakPolarHBondContact O-CB 3.47Å; L79-Y83 PolarHBondContact O-N 2.99Å
80R94.8Very high91.8Very high13 Ų1350.4 Ų50.45%0.04925%0.249CC..Hα-helixtrans-59.1-49.4175.1-75.8172.567.283.60.4111.2A39 G61 D62 L64 C76 A77 Y78 I82 Y83 V84A39-R80 HydrophobicContact CB-CB 3.83Å; A39-R80 HydrophobicContact CB-CG 4.46Å; A39-R80 PolarHBondContact O-NH2 3.42Å; G61-R80 PolarHBondContact O-NH1 3.47Å; D62-R80 PolarHBondContact O-NH1 3.08Å; D62-R80 VanDerWaalsContact O-NH1 3.11Å; D62-R80 IonicContact OD1-NH2 3.18Å; L64-R80 HydrophobicContact CB-CG 3.62Å; L64-R80 HydrophobicContact CD1-CG 3.98Å; L64-R80 HydrophobicContact CG-CG 4.45Å; L64-R80 PolarHBondContact O-NH1 3.33Å; C76-R80 WeakPolarHBondContact O-CB 3.49Å; C76-R80 VanDerWaalsContact O-CG 3.25Å; C76-R80 WeakPolarHBondContact O-CG 3.31Å; C76-R80 PolarHBondContact O-N 2.85Å; A77-R80 PolarHBondContact O-N 3.18Å; Y78-R80 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 2.93Å; R80-I82 PolarHBondContact O-N 3.47Å; R80-Y83 WeakPolarHBondContact O-CB 3.38Å; R80-Y83 PolarHBondContact O-N 2.8Å; R80-Y83 VanDerWaalsContact O-N 3.16Å; R80-V84 WeakPolarHBondContact O-CG2 3.32Å; R80-V84 PolarHBondContact O-N 3.23Å
81M95.1Very high92.3Very high0 Ų053.2 Ų53.20%025%0.254CS..Hα-helixtrans-67.3-37.6-179.4-72.7-66-72.800113.4L7 P9 A77 Y78 Y83 V84 A85 V104 C107L7-M81 HydrophobicContact CD2-CE 3.99Å; L7-M81 HydrophobicContact CG-CE 3.71Å; P9-M81 WeakPolarHBondContact CA-SD 3.45Å; P9-M81 HydrophobicContact CB-CG 4.02Å; P9-M81 HydrophobicContact CB-SD 3.83Å; A77-M81 WeakPolarHBondContact O-CB 3.36Å; A77-M81 WeakPolarHBondContact O-CG 3.48Å; A77-M81 PolarHBondContact O-N 3.24Å; Y78-M81 PolarHBondContact O-N 2.83Å; M81-Y83 VanDerWaalsContact C-N 3.31Å; M81-Y83 PolarHBondContact O-N 3.12Å; M81-V84 PolarHBondContact O-N 2.98Å; M81-A85 WeakPolarHBondContact O-CB 3.34Å; M81-A85 PolarHBondContact O-N 3.01Å; M81-V104 HydrophobicContact CB-CB 4.36Å; M81-V104 HydrophobicContact CB-CG1 3.9Å; M81-V104 HydrophobicContact CE-CB 4.37Å; M81-V104 HydrophobicContact CG-CB 3.86Å; M81-V104 HydrophobicContact CG-CG1 3.86Å; M81-V104 HydrophobicContact CG-CG2 4.31Å; M81-C107 HydrophobicContact CB-CB 4.22Å
82I95.4Very high92.6Very high59 Ų5946.4 Ų46.430%0.30323%0.231SC..Hα-helixtrans-60.8-43.4171.7-71165.9000110.3Y78 L79 R80 A85 F86 V106 V110Y78-I82 WeakPolarHBondContact O-CB 3.34Å; Y78-I82 WeakPolarHBondContact O-CD1 3.29Å; Y78-I82 VanDerWaalsContact O-CG1 3.23Å; Y78-I82 WeakPolarHBondContact O-CG1 3.22Å; Y78-I82 PolarHBondContact O-N 3.33Å; L79-I82 PolarHBondContact O-N 2.99Å; R80-I82 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.3Å; I82-F86 WeakPolarHBondContact O-CB 3.41Å; I82-F86 PolarHBondContact O-N 3.24Å; I82-V106 HydrophobicContact CD1-CG1 4.11Å; I82-V106 HydrophobicContact CD1-CG2 4.01Å; I82-V106 HydrophobicContact CG1-CG1 3.93Å; I82-V106 HydrophobicContact CG1-CG2 4.39Å; I82-V110 HydrophobicContact CG2-CG2 4.23Å
83Y96.3Very high92.8Very high68 Ų6846.8 Ų46.827%0.26725%0.252SS..Hα-helixtrans-63.7-47.6178.1176.3-91.9000112.2G61 W63 L64 L79 R80 M81 A85 F86 Y87G61-Y83 VanDerWaalsContact CA-CE1 3.41Å; W63-Y83 HydrophobicContact CZ2-CD2 4.46Å; W63-Y83 HydrophobicContact CZ2-CE1 4.47Å; W63-Y83 AromaticContact CZ2-CE2 3.86Å; W63-Y83 HydrophobicContact CZ2-CE2 3.86Å; W63-Y83 AromaticContact CZ2-CZ 3.86Å; L64-Y83 HydrophobicContact CD1-CD1 3.99Å; L64-Y83 HydrophobicContact CD1-CD2 4.45Å; L64-Y83 HydrophobicContact CD1-CG 3.79Å; L79-Y83 WeakPolarHBondContact O-CB 3.47Å; L79-Y83 PolarHBondContact O-N 2.99Å; R80-Y83 WeakPolarHBondContact O-CB 3.38Å; R80-Y83 PolarHBondContact O-N 2.8Å; R80-Y83 VanDerWaalsContact O-N 3.16Å; M81-Y83 VanDerWaalsContact C-N 3.31Å; M81-Y83 PolarHBondContact O-N 3.12Å; Y83-A85 VanDerWaalsContact C-N 3.33Å; Y83-A85 PolarHBondContact O-N 3.27Å; Y83-F86 PolarHBondContact O-N 2.68Å; Y83-Y87 WeakPolarHBondContact O-CB 3.35Å; Y83-Y87 PolarHBondContact O-N 2.85Å
84V95.9Very high92.9Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-59.3-46.4178.2-177.50000110.3L7 W37 A39 A60 R80 M81 F86 Y87 L88L7-V84 HydrophobicContact CD1-CB 4.04Å; L7-V84 HydrophobicContact CD1-CG1 3.29Å; W37-V84 HydrophobicContact CB-CG1 4.18Å; W37-V84 HydrophobicContact CE3-CG1 4Å; A39-V84 HydrophobicContact CB-CG2 3.81Å; A60-V84 HydrophobicContact CB-CG1 4.37Å; A60-V84 HydrophobicContact CB-CG2 4.33Å; A60-V84 VanDerWaalsContact O-CG2 3.24Å; A60-V84 WeakPolarHBondContact O-CG2 3.34Å; R80-V84 WeakPolarHBondContact O-CG2 3.32Å; R80-V84 PolarHBondContact O-N 3.23Å; M81-V84 PolarHBondContact O-N 2.98Å; V84-F86 PolarHBondContact O-N 3.05Å; V84-Y87 PolarHBondContact O-N 3.42Å; V84-L88 VanDerWaalsContact O-CB 3.31Å; V84-L88 WeakPolarHBondContact O-CB 3.42Å; V84-L88 PolarHBondContact O-N 3.34Å
85A95.3Very high93.1Very high0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-62.6-40.6176.700000112.9L7 M81 I82 Y83 L88 V89 C107 V110 L111L7-A85 HydrophobicContact CD2-CB 4.29Å; M81-A85 WeakPolarHBondContact O-CB 3.34Å; M81-A85 PolarHBondContact O-N 3.01Å; I82-A85 PolarHBondContact O-N 3.3Å; Y83-A85 VanDerWaalsContact C-N 3.33Å; Y83-A85 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 3.36Å; A85-V89 WeakPolarHBondContact O-CB 3.45Å; A85-V89 WeakPolarHBondContact O-CG2 3.38Å; A85-V89 PolarHBondContact O-N 2.88Å; A85-C107 HydrophobicContact CB-CB 3.74Å; A85-V110 HydrophobicContact CB-CB 4.1Å; A85-V110 HydrophobicContact CB-CG1 4.1Å; A85-L111 HydrophobicContact CB-CD2 3.6Å; A85-L111 HydrophobicContact CB-CG 4.07Å
86F95.4Very high93.2Very high96 Ų9647.1 Ų47.142%0.42125%0.252SS..Hα-helixtrans-62.3-47.9175.6-179.6-88.2000111.2I82 Y83 V84 L88 V89 F90 L91 V110I82-F86 WeakPolarHBondContact O-CB 3.41Å; I82-F86 PolarHBondContact O-N 3.24Å; Y83-F86 PolarHBondContact O-N 2.68Å; V84-F86 PolarHBondContact O-N 3.05Å; F86-L88 PolarHBondContact O-N 3Å; F86-V89 PolarHBondContact O-N 3.2Å; F86-F90 HydrophobicContact CD1-CD2 4.41Å; F86-F90 AromaticContact CD2-CD2 3.38Å; F86-F90 HydrophobicContact CD2-CD2 3.38Å; F86-F90 AromaticContact CD2-CE2 3.66Å; F86-F90 HydrophobicContact CD2-CE2 3.66Å; F86-F90 HydrophobicContact CD2-CG 4.45Å; F86-F90 HydrophobicContact CE1-CB 4.48Å; F86-F90 HydrophobicContact CE1-CD2 4.49Å; F86-F90 AromaticContact CE2-CD2 3.48Å; F86-F90 HydrophobicContact CE2-CD2 3.48Å; F86-F90 VanDerWaalsContact CE2-CD2 3.48Å; F86-F90 AromaticContact CE2-CE2 3.85Å; F86-F90 HydrophobicContact CE2-CE2 3.85Å; F86-F90 HydrophobicContact CE2-CG 4.2Å; F86-F90 AromaticContact CG-CD2 3.88Å; F86-F90 HydrophobicContact CG-CD2 3.88Å; F86-F90 HydrophobicContact CG-CE2 4.48Å; F86-F90 HydrophobicContact CZ-CB 4.38Å; F86-F90 HydrophobicContact CZ-CD2 4.05Å; F86-F90 HydrophobicContact CZ-CG 4.41Å; F86-F90 WeakPolarHBondContact O-CB 3.42Å; F86-F90 VanDerWaalsContact O-CD2 3.31Å; F86-F90 WeakPolarHBondContact O-CD2 3.39Å; F86-F90 PolarHBondContact O-N 3.47Å; F86-L91 HydrophobicContact CD1-CD1 4.4Å; F86-L91 HydrophobicContact CE1-CD1 4.1Å; F86-L91 HydrophobicContact CE1-CG 4.41Å; F86-V110 HydrophobicContact CB-CG1 4.16Å
87Y95.3Very high93.2Very high86 Ų8648.9 Ų48.934%0.33726%0.261SS..Hα-helixtrans-62.2-45.1178.7-170.8-82.8000111.2W37 Y83 V84 V89 L91 S92W37-Y87 AromaticContact CH2-CD1 3.84Å; W37-Y87 HydrophobicContact CH2-CD1 3.84Å; W37-Y87 AromaticContact CH2-CE1 3.97Å; W37-Y87 HydrophobicContact CH2-CE1 3.97Å; W37-Y87 AromaticContact CZ3-CD1 3.57Å; W37-Y87 HydrophobicContact CZ3-CD1 3.57Å; W37-Y87 HydrophobicContact CZ3-CE1 4.05Å; Y83-Y87 WeakPolarHBondContact O-CB 3.35Å; Y83-Y87 PolarHBondContact O-N 2.85Å; V84-Y87 PolarHBondContact O-N 3.42Å; Y87-V89 PolarHBondContact O-N 3.46Å; Y87-L91 HydrophobicContact CD2-CB 3.89Å; Y87-L91 HydrophobicContact CD2-CD1 3.63Å; Y87-L91 HydrophobicContact CD2-CG 4.37Å; Y87-L91 HydrophobicContact CE2-CB 4.01Å; Y87-L91 HydrophobicContact CE2-CD1 4.09Å; Y87-L91 HydrophobicContact CG-CB 4.16Å; Y87-L91 HydrophobicContact CG-CD1 4.39Å; Y87-L91 CarbonylContact O-C 3.4Å; Y87-L91 WeakPolarHBondContact O-CA 3.17Å; Y87-L91 WeakPolarHBondContact O-CB 3.37Å; Y87-L91 PolarHBondContact O-N 3.49Å; Y87-S92 PolarHBondContact O-N 3.02Å
88L94.2Very high93.4Very high1 Ų147.5 Ų47.51%0.00525%0.25CC..Hα-helixtrans-56.8-49.3176.1176.264000111.5V5 W37 V84 A85 F86 S92 Y96 L111V5-L88 HydrophobicContact CG1-CD1 4.34Å; V5-L88 HydrophobicContact CG1-CD2 3.78Å; W37-L88 HydrophobicContact CD2-CD1 3.95Å; W37-L88 HydrophobicContact CE3-CB 4.32Å; W37-L88 HydrophobicContact CE3-CD1 4.41Å; W37-L88 HydrophobicContact CG-CD1 4.46Å; W37-L88 HydrophobicContact CH2-CD1 4.27Å; W37-L88 HydrophobicContact CZ2-CD1 3.78Å; W37-L88 HydrophobicContact CZ3-CB 4.41Å; V84-L88 VanDerWaalsContact O-CB 3.31Å; V84-L88 WeakPolarHBondContact O-CB 3.42Å; V84-L88 PolarHBondContact O-N 3.34Å; A85-L88 PolarHBondContact O-N 3.36Å; F86-L88 PolarHBondContact O-N 3Å; L88-S92 PolarHBondContact O-OG 2.74Å; L88-Y96 HydrophobicContact CD1-CD1 4.24Å; L88-Y96 HydrophobicContact CD1-CE1 3.75Å; L88-Y96 HydrophobicContact CD2-CE1 4.28Å; L88-Y96 HydrophobicContact CG-CE1 3.86Å; L88-L111 HydrophobicContact CD2-CD2 4.23Å
89V93.1Very high93.6Very high25 Ų2547.2 Ų47.215%0.15225%0.249CC..Hα-helixtrans-74.1-40.5-174.3173.30000112.9A85 F86 Y87 L111A85-V89 WeakPolarHBondContact O-CB 3.45Å; A85-V89 WeakPolarHBondContact O-CG2 3.38Å; A85-V89 PolarHBondContact O-N 2.88Å; F86-V89 PolarHBondContact O-N 3.2Å; Y87-V89 PolarHBondContact O-N 3.46Å; V89-L111 HydrophobicContact CG2-CD2 3.92Å
90F93.4Very high93.7Very high97 Ų9742.7 Ų42.743%0.42523%0.225SC..Hα-helixtrans-108.3-23.8-167.6-61.9-72.1000114.7F86 V110 L113F86-F90 HydrophobicContact CD1-CD2 4.41Å; F86-F90 AromaticContact CD2-CD2 3.38Å; F86-F90 HydrophobicContact CD2-CD2 3.38Å; F86-F90 AromaticContact CD2-CE2 3.66Å; F86-F90 HydrophobicContact CD2-CE2 3.66Å; F86-F90 HydrophobicContact CD2-CG 4.45Å; F86-F90 HydrophobicContact CE1-CB 4.48Å; F86-F90 HydrophobicContact CE1-CD2 4.49Å; F86-F90 AromaticContact CE2-CD2 3.48Å; F86-F90 HydrophobicContact CE2-CD2 3.48Å; F86-F90 VanDerWaalsContact CE2-CD2 3.48Å; F86-F90 AromaticContact CE2-CE2 3.85Å; F86-F90 HydrophobicContact CE2-CE2 3.85Å; F86-F90 HydrophobicContact CE2-CG 4.2Å; F86-F90 AromaticContact CG-CD2 3.88Å; F86-F90 HydrophobicContact CG-CD2 3.88Å; F86-F90 HydrophobicContact CG-CE2 4.48Å; F86-F90 HydrophobicContact CZ-CB 4.38Å; F86-F90 HydrophobicContact CZ-CD2 4.05Å; F86-F90 HydrophobicContact CZ-CG 4.41Å; F86-F90 WeakPolarHBondContact O-CB 3.42Å; F86-F90 VanDerWaalsContact O-CD2 3.31Å; F86-F90 WeakPolarHBondContact O-CD2 3.39Å; F86-F90 PolarHBondContact O-N 3.47Å; F90-V110 HydrophobicContact CE2-CG1 4.24Å; F90-L113 HydrophobicContact CZ-CB 3.86Å; F90-L113 HydrophobicContact CZ-CD1 4.39Å
91L93.1Very high93.7Very high104 Ų10442 Ų4255%0.54522%0.222SC..THydrogen-bonded Turntrans-121.9-25.7-167.6-58179000114.2F86 Y87F86-L91 HydrophobicContact CD1-CD1 4.4Å; F86-L91 HydrophobicContact CE1-CD1 4.1Å; F86-L91 HydrophobicContact CE1-CG 4.41Å; Y87-L91 HydrophobicContact CD2-CB 3.89Å; Y87-L91 HydrophobicContact CD2-CD1 3.63Å; Y87-L91 HydrophobicContact CD2-CG 4.37Å; Y87-L91 HydrophobicContact CE2-CB 4.01Å; Y87-L91 HydrophobicContact CE2-CD1 4.09Å; Y87-L91 HydrophobicContact CG-CB 4.16Å; Y87-L91 HydrophobicContact CG-CD1 4.39Å; Y87-L91 CarbonylContact O-C 3.4Å; Y87-L91 WeakPolarHBondContact O-CA 3.17Å; Y87-L91 WeakPolarHBondContact O-CB 3.37Å; Y87-L91 PolarHBondContact O-N 3.49Å
92S91.7Very high93.6Very high29 Ų2942 Ų4220%0.20322%0.222CC..SBendtrans-72.6-30.3-171.876.20000114.6Y87 L88 V94Y87-S92 PolarHBondContact O-N 3.02Å; L88-S92 PolarHBondContact O-OG 2.74Å; S92-V94 PolarHBondContact O-N 3.43Å; S92-V94 PolarHBondContact OG-N 3.19Å
93G88.7Confident93.1Very high77 Ų7742.2 Ų42.279%0.79422%0.222SC*.  trans67.46.6-169.700000114.6
94V90.4Very high92.8Very high51 Ų5139.2 Ų39.231%0.30921%0.211SC..  trans-76.2130.6-178.8176.90000110.5W37 S92 Y96W37-V94 HydrophobicContact CZ2-CG2 4.01Å; S92-V94 PolarHBondContact O-N 3.43Å; S92-V94 PolarHBondContact OG-N 3.19Å; V94-Y96 HydrophobicContact CG1-CD1 4.21Å; V94-Y96 WeakPolarHBondContact O-CD1 3.48Å; V94-Y96 WeakPolarHBondContact O-CE1 3.17Å
95E89.4Confident92.7Very high138 Ų13839.2 Ų39.265%0.64521%0.211SC*.  trans-95130.3172.8-62.8-168.3174.800111.6R3R3-E95 IonicContact CZ-OE2 3.58Å; R3-E95 IonicContact NH1-OE2 3.46Å; R3-E95 PolarHBondContact NH1-OE2 3.46Å; R3-E95 IonicContact NH2-OE2 3.88Å
96Y91.6Very high92.6Very high8 Ų839.8 Ų39.83%0.03121%0.214CC..  trans-143.6160.2178.550.3-92.2000110.4V5 L88 V94 I99 K118V5-Y96 HydrophobicContact CB-CG 4.38Å; V5-Y96 HydrophobicContact CG2-CD1 3.91Å; V5-Y96 HydrophobicContact CG2-CG 3.86Å; L88-Y96 HydrophobicContact CD1-CD1 4.24Å; L88-Y96 HydrophobicContact CD1-CE1 3.75Å; L88-Y96 HydrophobicContact CD2-CE1 4.28Å; L88-Y96 HydrophobicContact CG-CE1 3.86Å; V94-Y96 HydrophobicContact CG1-CD1 4.21Å; V94-Y96 WeakPolarHBondContact O-CD1 3.48Å; V94-Y96 WeakPolarHBondContact O-CE1 3.17Å; Y96-I99 HydrophobicContact CD2-CD1 4.15Å; Y96-I99 HydrophobicContact CD2-CG1 3.69Å; Y96-I99 HydrophobicContact CE2-CD1 3.48Å; Y96-I99 VanDerWaalsContact CE2-CD1 3.48Å; Y96-I99 HydrophobicContact CE2-CG1 3.57Å; Y96-K118 HydrophobicContact CD2-CB 4.28Å; Y96-K118 HydrophobicContact CD2-CG 3.94Å; Y96-K118 HydrophobicContact CE2-CB 3.94Å; Y96-K118 HydrophobicContact CE2-CG 3.59Å; Y96-K118 VanDerWaalsContact O-CD 3.26Å; Y96-K118 WeakPolarHBondContact O-CD 3.41Å; Y96-K118 WeakPolarHBondContact O-CE 3.34Å; Y96-K118 PolarHBondContact O-NZ 3.04Å
97D91.9Very high92.5Very high44 Ų4435.2 Ų35.224%0.23519%0.194CC..SBendtrans-106.8-42.1-177.6-53.9-47000111.1R3R3-D97 WeakPolarHBondContact CB-OD2 3.41Å; R3-D97 IonicContact CZ-OD1 2.78Å; R3-D97 IonicContact CZ-OD2 3.87Å; R3-D97 PolarHBondContact N-OD2 2.89Å; R3-D97 IonicContact NE-OD1 2.77Å; R3-D97 PolarHBondContact NE-OD1 3.13Å; R3-D97 IonicContact NE-OD2 2.69Å; R3-D97 PolarHBondContact NE-OD2 3.33Å; R3-D97 VanDerWaalsContact NE-OD2 3.16Å; R3-D97 IonicContact NH2-OD1 3.5Å; R3-D97 PolarHBondContact NH2-OD1 2.97Å; R3-D97 IonicContact NH2-OD2 3.66Å; R3-D97 PolarHBondContact O-N 3.27Å
98V95.1Very high92.5Very high0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-128.9143.1178.7-176.80000110R3 V4 V5 K119 I400 L403 S404R3-V98 PolarHBondContact O-N 2.86Å; V4-V98 WeakPolarHBondContact CA-O 3.22Å; V5-V98 PolarHBondContact N-O 3.07Å; V98-K119 WeakPolarHBondContact CA-O 3.45Å; V98-I400 HydrophobicContact CB-CD1 4.33Å; V98-I400 HydrophobicContact CG1-CD1 3.74Å; V98-I400 HydrophobicContact CG2-CG2 4.44Å; V98-L403 HydrophobicContact CG1-CB 4.46Å; V98-L403 HydrophobicContact CG1-CD1 4.11Å; V98-L403 HydrophobicContact CG2-CB 4.05Å; V98-S404 WeakPolarHBondContact CG2-OG 3.3Å
99I95.8Very high92.5Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-108126169.1-57.5172.4000108.7V5 L7 Y96 C101 L111 K119 L121V5-I99 CarbonylContact O-C 3.59Å; V5-I99 VanDerWaalsContact O-CA 3.32Å; V5-I99 WeakPolarHBondContact O-CA 3.43Å; L7-I99 HydrophobicContact CB-CG2 4.34Å; Y96-I99 HydrophobicContact CD2-CD1 4.15Å; Y96-I99 HydrophobicContact CD2-CG1 3.69Å; Y96-I99 HydrophobicContact CE2-CD1 3.48Å; Y96-I99 VanDerWaalsContact CE2-CD1 3.48Å; Y96-I99 HydrophobicContact CE2-CG1 3.57Å; I99-C101 HydrophobicContact CG2-CB 4.48Å; I99-L111 HydrophobicContact CD1-CB 3.94Å; I99-L111 HydrophobicContact CD1-CD1 3.75Å; I99-L111 HydrophobicContact CD1-CD2 3.61Å; I99-L111 HydrophobicContact CD1-CG 3.94Å; I99-L111 HydrophobicContact CG2-CD1 3.91Å; I99-K119 PolarHBondContact N-O 2.83Å; I99-L121 PolarHBondContact O-N 2.82Å
100F96.6Very high92.5Very high0 Ų032.9 Ų32.90%019%0.189CC..EExtended strand (participates in β ladder)trans-94.5116.5165.2-172.4-71.7000108.1V4 V5 F6 L7 L19 A23 D102 L121 Y123 L396V4-F100 HydrophobicContact CG1-CB 4.36Å; V5-F100 PolarHBondContact O-N 2.68Å; F6-F100 CarbonylContact C-O 3.54Å; F6-F100 VanDerWaalsContact CA-O 3.29Å; F6-F100 WeakPolarHBondContact CA-O 3.47Å; F6-F100 HydrophobicContact CD1-CB 3.63Å; F6-F100 AromaticContact CD1-CD1 3.38Å; F6-F100 HydrophobicContact CD1-CD1 3.38Å; F6-F100 HydrophobicContact CD1-CD2 4.36Å; F6-F100 HydrophobicContact CD1-CE1 4.09Å; F6-F100 AromaticContact CD1-CG 3.54Å; F6-F100 HydrophobicContact CD1-CG 3.54Å; F6-F100 HydrophobicContact CE1-CB 3.67Å; F6-F100 AromaticContact CE1-CD1 3.5Å; F6-F100 HydrophobicContact CE1-CD1 3.5Å; F6-F100 AromaticContact CE1-CD2 3.71Å; F6-F100 HydrophobicContact CE1-CD2 3.71Å; F6-F100 AromaticContact CE1-CE1 4Å; F6-F100 HydrophobicContact CE1-CE1 4Å; F6-F100 HydrophobicContact CE1-CE2 4.18Å; F6-F100 AromaticContact CE1-CG 3.34Å; F6-F100 HydrophobicContact CE1-CG 3.34Å; F6-F100 HydrophobicContact CE1-CZ 4.3Å; F6-F100 HydrophobicContact CG-CB 4.11Å; F6-F100 HydrophobicContact CG-CD1 4.48Å; F6-F100 HydrophobicContact CG-CG 4.48Å; F6-F100 HydrophobicContact CZ-CB 4.18Å; F6-F100 HydrophobicContact CZ-CD2 4.3Å; F6-F100 HydrophobicContact CZ-CG 4.16Å; L7-F100 PolarHBondContact N-O 2.85Å; L19-F100 HydrophobicContact CD2-CZ 4.23Å; A23-F100 HydrophobicContact CB-CE2 4.45Å; A23-F100 HydrophobicContact CB-CZ 4.37Å; F100-D102 HydrophobicContact CE1-CB 4.25Å; F100-L121 WeakPolarHBondContact CA-O 3.41Å; F100-L121 HydrophobicContact CD2-CD1 4.29Å; F100-L121 HydrophobicContact CD2-CD2 3.6Å; F100-L121 HydrophobicContact CD2-CG 4.44Å; F100-L121 HydrophobicContact CE2-CD2 3.66Å; F100-L121 HydrophobicContact CG-CD2 4.28Å; F100-L121 HydrophobicContact CZ-CD2 4.38Å; F100-Y123 HydrophobicContact CE1-CG 4.34Å; F100-Y123 HydrophobicContact CE2-CD2 4.34Å; F100-Y123 AromaticContact CZ-CD2 3.81Å; F100-Y123 HydrophobicContact CZ-CD2 3.81Å; F100-Y123 AromaticContact CZ-CG 3.75Å; F100-Y123 HydrophobicContact CZ-CG 3.75Å; F100-L396 HydrophobicContact CD2-CD1 4.17Å; F100-L396 HydrophobicContact CE2-CD1 3.87Å
101C94.8Very high92.5Very high0 Ų028.3 Ų28.30%017%0.169CC..EExtended strand (participates in β ladder)trans-120.2138.8-179.8179.60000109.6I99 C107 V120 L121 F122 Y123I99-C101 HydrophobicContact CG2-CB 4.48Å; C101-C107 PolarHBondContact SG-SG 3.35Å; C101-V120 HydrophobicContact CB-CG1 4.43Å; C101-L121 PolarHBondContact N-O 3.24Å; C101-F122 HydrophobicContact CB-CD2 4.1Å; C101-F122 CarbonylContact O-C 3.57Å; C101-F122 VanDerWaalsContact O-CA 3.26Å; C101-F122 WeakPolarHBondContact O-CA 3.39Å; C101-F122 VanDerWaalsContact O-CD2 3.31Å; C101-F122 WeakPolarHBondContact O-CD2 3.29Å; C101-Y123 PolarHBondContact O-N 3.12Å
102D91.9Very high92.3Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-137.2168.5175.977.7-54.9000112.4L7 H8 V20 F100 V104 Y123 H125L7-D102 PolarHBondContact O-N 2.89Å; H8-D102 WeakPolarHBondContact CB-OD1 3.41Å; H8-D102 IonicContact CE1-OD1 3.46Å; H8-D102 IonicContact CE1-OD2 2.65Å; H8-D102 PolarHBondContact CE1-OD2 3Å; H8-D102 IonicContact CG-OD1 2.83Å; H8-D102 IonicContact ND1-OD1 3.89Å; H8-D102 PolarHBondContact ND1-OD1 3.4Å; H8-D102 IonicContact ND1-OD2 2.84Å; H8-D102 PolarHBondContact ND1-OD2 3.35Å; V20-D102 HydrophobicContact CG2-CB 4.38Å; V20-D102 WeakPolarHBondContact CG2-OD1 3.28Å; V20-D102 VanDerWaalsContact CG2-OD2 3.29Å; V20-D102 WeakPolarHBondContact CG2-OD2 3.32Å; F100-D102 HydrophobicContact CE1-CB 4.25Å; D102-V104 PolarHBondContact O-N 2.96Å; D102-Y123 WeakPolarHBondContact CB-O 3.44Å; D102-H125 IonicContact OD2-CD2 2.76Å; D102-H125 IonicContact OD2-NE2 3.45Å; D102-H125 PolarHBondContact OD2-NE2 3.02Å
103Q85.5Confident92.2Very high63 Ų6331.1 Ų31.129%0.29418%0.176SC..SBendtrans57.4-63.7-173.1-64.6-153.51.700116.1P9 A16P9-Q103 HydrophobicContact CG-CB 4.03Å; P9-Q103 HydrophobicContact CG-CG 4.5Å; A16-Q103 HydrophobicContact CB-CG 4.4Å
104V90.4Very high92Very high5 Ų528.5 Ų28.53%0.0315%0.146CC..  trans-112.497.9-166.9-178.70000111.1P9 Y78 M81 D102 V106 C107P9-V104 HydrophobicContact CB-CG2 4.35Å; P9-V104 HydrophobicContact CG-CG2 4.18Å; Y78-V104 HydrophobicContact CD1-CG1 3.66Å; Y78-V104 HydrophobicContact CE1-CG1 3.88Å; Y78-V104 HydrophobicContact CG-CG1 4.4Å; M81-V104 HydrophobicContact CB-CB 4.36Å; M81-V104 HydrophobicContact CB-CG1 3.9Å; M81-V104 HydrophobicContact CE-CB 4.37Å; M81-V104 HydrophobicContact CG-CB 3.86Å; M81-V104 HydrophobicContact CG-CG1 3.86Å; M81-V104 HydrophobicContact CG-CG2 4.31Å; D102-V104 PolarHBondContact O-N 2.96Å; V104-V106 VanDerWaalsContact C-N 3.31Å; V104-V106 HydrophobicContact CG1-CG1 3.66Å; V104-V106 PolarHBondContact O-N 3.23Å; V104-C107 PolarHBondContact O-SG 3.13Å
105S93.3Very high91.2Very high0 Ų037.7 Ų37.70%018%0.175CC..G310 helixtrans-74.8-11.3-176.151.40000115.3C107 I108 E150 T153 T154S105-C107 PolarHBondContact O-N 3.16Å; S105-I108 WeakPolarHBondContact O-CB 3.43Å; S105-I108 VanDerWaalsContact O-CG1 3.22Å; S105-I108 WeakPolarHBondContact O-CG1 3.48Å; S105-I108 PolarHBondContact O-N 3.44Å; S105-E150 PolarHBondContact OG-O 3.36Å; S105-T153 VanDerWaalsContact O-CB 3.31Å; S105-T153 WeakPolarHBondContact O-CB 3.39Å; S105-T153 PolarHBondContact O-OG1 3.46Å; S105-T153 PolarHBondContact OG-OG1 3.46Å; S105-T153 VanDerWaalsContact OG-OG1 3.1Å; S105-T154 VanDerWaalsContact CB-OG1 3.27Å; S105-T154 WeakPolarHBondContact CB-OG1 3.42Å; S105-T154 PolarHBondContact OG-OG1 3.25Å
106V93.5Very high90.7Very high12 Ų1237.6 Ų37.67%0.07317%0.174CC..G310 helixtrans-63.1-15.2-175.174.90000114.1Y78 I82 V104 P109 M149 T153Y78-V106 HydrophobicContact CD1-CG1 4.04Å; Y78-V106 HydrophobicContact CD2-CB 3.68Å; Y78-V106 HydrophobicContact CD2-CG1 3.59Å; Y78-V106 HydrophobicContact CD2-CG2 3.75Å; Y78-V106 HydrophobicContact CE2-CB 3.89Å; Y78-V106 HydrophobicContact CE2-CG1 4.19Å; Y78-V106 HydrophobicContact CE2-CG2 4.12Å; Y78-V106 HydrophobicContact CG-CB 4.11Å; Y78-V106 HydrophobicContact CG-CG1 3.48Å; Y78-V106 VanDerWaalsContact CG-CG1 3.48Å; Y78-V106 HydrophobicContact CG-CG2 4.49Å; I82-V106 HydrophobicContact CD1-CG1 4.11Å; I82-V106 HydrophobicContact CD1-CG2 4.01Å; I82-V106 HydrophobicContact CG1-CG1 3.93Å; I82-V106 HydrophobicContact CG1-CG2 4.39Å; V104-V106 VanDerWaalsContact C-N 3.31Å; V104-V106 HydrophobicContact CG1-CG1 3.66Å; V104-V106 PolarHBondContact O-N 3.23Å; V106-P109 WeakPolarHBondContact O-CD 3.5Å; V106-M149 HydrophobicContact CG2-SD 4.47Å; V106-T153 PolarHBondContact N-OG1 2.98Å
107C93.3Very high90.1Very high0 Ų044.4 Ų44.40%020%0.2CC..G310 helixtrans-78.7-21.617663.90000113.4L7 M81 A85 C101 V104 S105 P109 V110 L111L7-C107 HydrophobicContact CD2-CB 4.11Å; L7-C107 VanDerWaalsContact CD2-SG 3.56Å; M81-C107 HydrophobicContact CB-CB 4.22Å; A85-C107 HydrophobicContact CB-CB 3.74Å; C101-C107 PolarHBondContact SG-SG 3.35Å; V104-C107 PolarHBondContact O-SG 3.13Å; S105-C107 PolarHBondContact O-N 3.16Å; C107-P109 VanDerWaalsContact C-CD 3.49Å; C107-V110 WeakPolarHBondContact O-CB 3.45Å; C107-V110 PolarHBondContact O-N 3.02Å; C107-L111 WeakPolarHBondContact O-CG 3.09Å; C107-L111 PolarHBondContact O-N 3.25Å; C107-L111 VanDerWaalsContact O-N 3.12Å
108I94.9Very high89.8Confident0 Ų044.3 Ų44.30%020%0.197CC..Hα-helixtrans-55.6-42.7-175.5-62.2177.4000113.5S105 V110 L111 R112 V120 F122 T153 M156 A157S105-I108 WeakPolarHBondContact O-CB 3.43Å; S105-I108 VanDerWaalsContact O-CG1 3.22Å; S105-I108 WeakPolarHBondContact O-CG1 3.48Å; S105-I108 PolarHBondContact O-N 3.44Å; I108-V110 VanDerWaalsContact C-N 3.27Å; I108-V110 PolarHBondContact O-N 2.97Å; I108-L111 PolarHBondContact O-N 3.02Å; I108-R112 WeakPolarHBondContact O-CG 3.49Å; I108-R112 PolarHBondContact O-N 2.9Å; I108-R112 VanDerWaalsContact O-N 3.08Å; I108-V120 HydrophobicContact CD1-CG1 4.23Å; I108-V120 HydrophobicContact CG1-CG1 4.05Å; I108-V120 HydrophobicContact CG2-CG1 4.3Å; I108-F122 HydrophobicContact CD1-CB 4.13Å; I108-F122 HydrophobicContact CD1-CD2 3.81Å; I108-F122 HydrophobicContact CD1-CG 4.1Å; I108-T153 WeakPolarHBondContact CD1-O 3.49Å; I108-M156 HydrophobicContact CG2-CB 3.76Å; I108-A157 HydrophobicContact CD1-CB 4.2Å
109P94.6Very high89.7Confident41 Ų4147.6 Ų47.627%0.26621%0.212SC..Hα-helixtrans-56.1-40.6174.2-24.332.7000113.3V106 C107 R112 L113 T153 M156V106-P109 WeakPolarHBondContact O-CD 3.5Å; C107-P109 VanDerWaalsContact C-CD 3.49Å; P109-R112 PolarHBondContact O-N 2.91Å; P109-L113 PolarHBondContact O-N 2.86Å; P109-T153 HydrophobicContact CG-CG2 3.53Å; P109-M156 HydrophobicContact CB-CE 3.84Å; P109-M156 HydrophobicContact CB-SD 4.39Å; P109-M156 HydrophobicContact CG-CE 3.89Å; P109-M156 HydrophobicContact CG-SD 3.81Å
110V93.6Very high89.7Confident21 Ų2147.6 Ų47.613%0.12721%0.212CC..Hα-helixtrans-68-43.1179.2-177.40000110.4I82 A85 F86 F90 C107 I108 R112 L113I82-V110 HydrophobicContact CG2-CG2 4.23Å; A85-V110 HydrophobicContact CB-CB 4.1Å; A85-V110 HydrophobicContact CB-CG1 4.1Å; F86-V110 HydrophobicContact CB-CG1 4.16Å; F90-V110 HydrophobicContact CE2-CG1 4.24Å; C107-V110 WeakPolarHBondContact O-CB 3.45Å; C107-V110 PolarHBondContact O-N 3.02Å; I108-V110 VanDerWaalsContact C-N 3.27Å; I108-V110 PolarHBondContact O-N 2.97Å; V110-R112 PolarHBondContact O-N 2.9Å; V110-L113 WeakPolarHBondContact O-CB 3.39Å; V110-L113 PolarHBondContact O-N 3.38Å
111L91.8Very high89.7Confident1 Ų147.6 Ų47.61%0.00521%0.212CC..Hα-helixtrans-57.6-34.8176.2-62.1178.6000112.2L7 A85 L88 V89 I99 C107 I108 L113 S114 V120L7-L111 HydrophobicContact CD2-CD1 4.07Å; L7-L111 HydrophobicContact CD2-CD2 4.43Å; A85-L111 HydrophobicContact CB-CD2 3.6Å; A85-L111 HydrophobicContact CB-CG 4.07Å; L88-L111 HydrophobicContact CD2-CD2 4.23Å; V89-L111 HydrophobicContact CG2-CD2 3.92Å; I99-L111 HydrophobicContact CD1-CB 3.94Å; I99-L111 HydrophobicContact CD1-CD1 3.75Å; I99-L111 HydrophobicContact CD1-CD2 3.61Å; I99-L111 HydrophobicContact CD1-CG 3.94Å; I99-L111 HydrophobicContact CG2-CD1 3.91Å; C107-L111 WeakPolarHBondContact O-CG 3.09Å; C107-L111 PolarHBondContact O-N 3.25Å; C107-L111 VanDerWaalsContact O-N 3.12Å; I108-L111 PolarHBondContact O-N 3.02Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 PolarHBondContact O-N 2.86Å; L111-S114 WeakPolarHBondContact O-CB 3.31Å; L111-S114 PolarHBondContact O-N 3.37Å; L111-V120 HydrophobicContact CB-CG2 4.25Å; L111-V120 HydrophobicContact CD1-CG2 4.4Å
112R89.4Confident89.8Confident77 Ų7747.8 Ų47.829%0.29121%0.213SC..THydrogen-bonded Turntrans-75.6-10.4177.6-71.6179.660.1162.2-8.4114.6I108 P109 V110 R117 M156I108-R112 WeakPolarHBondContact O-CG 3.49Å; I108-R112 PolarHBondContact O-N 2.9Å; I108-R112 VanDerWaalsContact O-N 3.08Å; P109-R112 PolarHBondContact O-N 2.91Å; V110-R112 PolarHBondContact O-N 2.9Å; R112-R117 VanDerWaalsContact CZ-NH2 3.34Å; R112-M156 WeakPolarHBondContact CD-O 3.24Å; R112-M156 PolarHBondContact NH1-O 2.87Å
113L89.4Confident90Very high115 Ų11547.8 Ų47.860%0.60221%0.213SC*.THydrogen-bonded Turntrans-80.1-3.5172.8-61.1176.3000113F90 P109 V110 L111F90-L113 HydrophobicContact CZ-CB 3.86Å; F90-L113 HydrophobicContact CZ-CD1 4.39Å; P109-L113 PolarHBondContact O-N 2.86Å; V110-L113 WeakPolarHBondContact O-CB 3.39Å; V110-L113 PolarHBondContact O-N 3.38Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 PolarHBondContact O-N 2.86Å
114S85.1Confident90.2Very high22 Ų2245 Ų4515%0.15420%0.2CC..SBendtrans-55.6138.8175.6-175.50000111.8L111 H116L111-S114 WeakPolarHBondContact O-CB 3.31Å; L111-S114 PolarHBondContact O-N 3.37Å; S114-H116 WeakPolarHBondContact CB-O 3.26Å; S114-H116 CarbonylContact O-C 3.48Å; S114-H116 PolarHBondContact O-N 3.16Å; S114-H116 VanDerWaalsContact O-N 3.08Å; S114-H116 PolarHBondContact OG-O 3.08Å
115R74.2Confident90Very high245 Ų24546.4 Ų46.493%0.92521%0.206SC*.SBendtrans-54.7-31.4-179-68.5-179.579112.5-1.9112.3
116H78.3Confident89.6Confident135 Ų13548.1 Ų48.163%0.62521%0.214SC*.SBendtrans-108.5119.8169.2-61.2-70.8000107.1S114 K118S114-H116 WeakPolarHBondContact CB-O 3.26Å; S114-H116 CarbonylContact O-C 3.48Å; S114-H116 PolarHBondContact O-N 3.16Å; S114-H116 VanDerWaalsContact O-N 3.08Å; S114-H116 PolarHBondContact OG-O 3.08Å; H116-K118 VanDerWaalsContact C-N 3.33Å; H116-K118 HydrophobicContact CB-CD 4.39Å; H116-K118 WeakPolarHBondContact O-CG 3.48Å; H116-K118 PolarHBondContact O-N 3.48Å
117R78.3Confident89Confident151 Ų15147.6 Ų47.657%0.5721%0.21SC*.  trans-6593.3-179.5-174.8-179.5175.4133.3-4.9110.2R112R112-R117 VanDerWaalsContact CZ-NH2 3.34Å
118K85.9Confident88.3Confident42 Ų4248.9 Ų48.918%0.18322%0.217CC..  trans-76.7152.9175.8-57.2-54.1-174.8161.20110.3Y96 H116Y96-K118 HydrophobicContact CD2-CB 4.28Å; Y96-K118 HydrophobicContact CD2-CG 3.94Å; Y96-K118 HydrophobicContact CE2-CB 3.94Å; Y96-K118 HydrophobicContact CE2-CG 3.59Å; Y96-K118 VanDerWaalsContact O-CD 3.26Å; Y96-K118 WeakPolarHBondContact O-CD 3.41Å; Y96-K118 WeakPolarHBondContact O-CE 3.34Å; Y96-K118 PolarHBondContact O-NZ 3.04Å; H116-K118 VanDerWaalsContact C-N 3.33Å; H116-K118 HydrophobicContact CB-CD 4.39Å; H116-K118 WeakPolarHBondContact O-CG 3.48Å; H116-K118 PolarHBondContact O-N 3.48Å
119K93.4Very high87.4Confident69 Ų6949.9 Ų49.930%0.322%0.222SC..EExtended strand (participates in β ladder)trans-86.4136.2-178.4-66.5-64.1-172.2165.90110.7V98 I99 D158 L403V98-K119 WeakPolarHBondContact CA-O 3.45Å; I99-K119 PolarHBondContact N-O 2.83Å; K119-D158 WeakPolarHBondContact CA-OD2 3.34Å; K119-D158 HydrophobicContact CD-CB 3.91Å; K119-D158 WeakPolarHBondContact CD-OD1 3.33Å; K119-D158 IonicContact NZ-OD1 3.62Å; K119-D158 PolarHBondContact NZ-OD1 2.94Å; K119-L403 HydrophobicContact CB-CB 4.1Å; K119-L403 HydrophobicContact CB-CD2 4.1Å; K119-L403 HydrophobicContact CG-CB 4.49Å; K119-L403 HydrophobicContact CG-CD2 4.46Å; K119-L403 VanDerWaalsContact CG-O 3.29Å; K119-L403 WeakPolarHBondContact CG-O 3.35Å
120V95.5Very high86.6Confident0 Ų051.9 Ų51.90%023%0.23CC..EExtended strand (participates in β ladder)trans-112.9118.3179.9-176.60000109.8C101 I108 L111 D158 M159C101-V120 HydrophobicContact CB-CG1 4.43Å; I108-V120 HydrophobicContact CD1-CG1 4.23Å; I108-V120 HydrophobicContact CG1-CG1 4.05Å; I108-V120 HydrophobicContact CG2-CG1 4.3Å; L111-V120 HydrophobicContact CB-CG2 4.25Å; L111-V120 HydrophobicContact CD1-CG2 4.4Å; V120-D158 PolarHBondContact N-OD2 3.5Å; V120-D158 PolarHBondContact O-N 3.36Å; V120-M159 PolarHBondContact O-N 2.69Å
121L96.9Very high85.4Confident0 Ų056.1 Ų56.10%025%0.252CS..EExtended strand (participates in β ladder)trans-95.3120.4166.2-173.8165000107.5I99 F100 C101 M159 L161 L396 I400 L403I99-L121 PolarHBondContact O-N 2.82Å; F100-L121 WeakPolarHBondContact CA-O 3.41Å; F100-L121 HydrophobicContact CD2-CD1 4.29Å; F100-L121 HydrophobicContact CD2-CD2 3.6Å; F100-L121 HydrophobicContact CD2-CG 4.44Å; F100-L121 HydrophobicContact CE2-CD2 3.66Å; F100-L121 HydrophobicContact CG-CD2 4.28Å; F100-L121 HydrophobicContact CZ-CD2 4.38Å; C101-L121 PolarHBondContact N-O 3.24Å; L121-M159 WeakPolarHBondContact CA-O 3.42Å; L121-M159 HydrophobicContact CD1-SD 4.29Å; L121-L161 HydrophobicContact CD1-CD1 3.88Å; L121-L161 HydrophobicContact CD1-CG 4.37Å; L121-L161 HydrophobicContact CD2-CB 4.46Å; L121-L161 HydrophobicContact CD2-CD1 3.88Å; L121-L161 HydrophobicContact CD2-CG 3.95Å; L121-L161 HydrophobicContact CG-CD1 4.19Å; L121-L161 HydrophobicContact CG-CG 4.22Å; L121-L396 HydrophobicContact CD1-CD1 4.25Å; L121-I400 HydrophobicContact CD1-CD1 4.06Å; L121-L403 HydrophobicContact CB-CD1 3.74Å; L121-L403 HydrophobicContact CD1-CD1 3.98Å; L121-L403 HydrophobicContact CG-CD1 4.23Å
122F96.4Very high84.2Confident5 Ų557.2 Ų57.22%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-104122.1174.9-173.7-106000110.9C101 I108 C124 T154 A157 M159 I160 L161C101-F122 HydrophobicContact CB-CD2 4.1Å; C101-F122 CarbonylContact O-C 3.57Å; C101-F122 VanDerWaalsContact O-CA 3.26Å; C101-F122 WeakPolarHBondContact O-CA 3.39Å; C101-F122 VanDerWaalsContact O-CD2 3.31Å; C101-F122 WeakPolarHBondContact O-CD2 3.29Å; I108-F122 HydrophobicContact CD1-CB 4.13Å; I108-F122 HydrophobicContact CD1-CD2 3.81Å; I108-F122 HydrophobicContact CD1-CG 4.1Å; F122-C124 HydrophobicContact CD1-CB 4.22Å; F122-C124 HydrophobicContact CE1-CB 3.92Å; F122-T154 HydrophobicContact CD1-CG2 3.78Å; F122-T154 HydrophobicContact CE1-CG2 3.85Å; F122-A157 HydrophobicContact CB-CB 3.67Å; F122-M159 PolarHBondContact N-O 2.77Å; F122-I160 CarbonylContact O-C 3.4Å; F122-I160 VanDerWaalsContact O-CA 3.32Å; F122-I160 WeakPolarHBondContact O-CA 3.44Å; F122-L161 PolarHBondContact O-N 3.4Å
123Y95.2Very high82.9Confident0 Ų059.7 Ų59.70%027%0.273CS..EExtended strand (participates in β ladder)trans-99110.4175.9-167.5-79.4000110.2L19 F100 C101 D102 H125 L161 N163 L186L19-Y123 HydrophobicContact CD1-CD1 4.47Å; L19-Y123 HydrophobicContact CD1-CE1 3.55Å; L19-Y123 HydrophobicContact CD1-CE2 4.22Å; L19-Y123 WeakPolarHBondContact CD1-OH 3.22Å; L19-Y123 HydrophobicContact CD2-CD1 3.72Å; L19-Y123 HydrophobicContact CD2-CD2 4.18Å; L19-Y123 HydrophobicContact CD2-CE1 3.63Å; L19-Y123 HydrophobicContact CD2-CE2 4.08Å; L19-Y123 HydrophobicContact CD2-CG 4.02Å; L19-Y123 HydrophobicContact CG-CE1 4.24Å; F100-Y123 HydrophobicContact CE1-CG 4.34Å; F100-Y123 HydrophobicContact CE2-CD2 4.34Å; F100-Y123 AromaticContact CZ-CD2 3.81Å; F100-Y123 HydrophobicContact CZ-CD2 3.81Å; F100-Y123 AromaticContact CZ-CG 3.75Å; F100-Y123 HydrophobicContact CZ-CG 3.75Å; C101-Y123 PolarHBondContact O-N 3.12Å; D102-Y123 WeakPolarHBondContact CB-O 3.44Å; Y123-H125 AromaticContact CD1-CD2 3.83Å; Y123-H125 AromaticContact CD1-CE1 3.81Å; Y123-H125 AromaticContact CD1-NE2 3.57Å; Y123-H125 AromaticContact CE1-CE1 3.59Å; Y123-H125 AromaticContact CE1-ND1 3.75Å; Y123-H125 AromaticContact CE1-NE2 3.85Å; Y123-L161 WeakPolarHBondContact CA-O 3.47Å; Y123-L161 HydrophobicContact CD2-CB 3.67Å; Y123-L161 HydrophobicContact CD2-CD1 4.42Å; Y123-L161 HydrophobicContact CE2-CB 4.14Å; Y123-L161 HydrophobicContact CG-CB 4.5Å; Y123-N163 HydrophobicContact CE1-CB 4.43Å; Y123-N163 VanDerWaalsContact OH-CA 3.26Å; Y123-N163 WeakPolarHBondContact OH-CA 3.13Å; Y123-N163 VanDerWaalsContact OH-CB 3.27Å; Y123-N163 WeakPolarHBondContact OH-CB 3.35Å; Y123-L186 HydrophobicContact CD2-CD2 4.35Å; Y123-L186 HydrophobicContact CE2-CB 4.08Å; Y123-L186 HydrophobicContact CE2-CD2 4.01Å; Y123-L186 HydrophobicContact CE2-CG 4.27Å; Y123-L186 PolarHBondContact OH-O 2.86Å
124C91.6Very high81.8Confident5 Ų559.1 Ų59.13%0.03426%0.263CS..EExtended strand (participates in β ladder)trans-95.5105.9-179.8-178.40000110.1F122 L161 V162 F171F122-C124 HydrophobicContact CD1-CB 4.22Å; F122-C124 HydrophobicContact CE1-CB 3.92Å; C124-L161 PolarHBondContact N-O 3.07Å; C124-V162 HydrophobicContact CB-CG1 3.98Å; C124-F171 HydrophobicContact CB-CD2 4.49Å
125H85.6Confident81Confident33 Ų3366.7 Ų66.715%0.15329%0.293CS..SBendtrans-67.3-46.6173.4-71.5-85.1000112D102 Y123 N163D102-H125 IonicContact OD2-CD2 2.76Å; D102-H125 IonicContact OD2-NE2 3.45Å; D102-H125 PolarHBondContact OD2-NE2 3.02Å; Y123-H125 AromaticContact CD1-CD2 3.83Å; Y123-H125 AromaticContact CD1-CE1 3.81Å; Y123-H125 AromaticContact CD1-NE2 3.57Å; Y123-H125 AromaticContact CE1-CE1 3.59Å; Y123-H125 AromaticContact CE1-ND1 3.75Å; Y123-H125 AromaticContact CE1-NE2 3.85Å; H125-N163 PolarHBondContact O-ND2 2.93Å; H125-N163 VanDerWaalsContact O-ND2 3.11Å
126F84.1Confident81.3Confident37 Ų3758.1 Ų58.116%0.16227%0.271CS..SBendtrans-168.4147.6176-164.9-116.3000108.3D128 L130 L131 V170 H315F126-D128 PolarHBondContact O-N 2.95Å; F126-L130 HydrophobicContact CD1-CB 4.16Å; F126-L130 HydrophobicContact CE1-CB 3.38Å; F126-L130 HydrophobicContact CE1-CD1 3.72Å; F126-L130 HydrophobicContact CE1-CG 4.2Å; F126-L130 HydrophobicContact CE2-CD1 4.26Å; F126-L130 HydrophobicContact CZ-CB 4.01Å; F126-L130 HydrophobicContact CZ-CD1 3.47Å; F126-L130 VanDerWaalsContact CZ-CD1 3.47Å; F126-L130 HydrophobicContact CZ-CG 4.41Å; F126-L131 HydrophobicContact CD1-CD2 3.87Å; F126-L131 HydrophobicContact CD1-CG 4.3Å; F126-V170 HydrophobicContact CD2-CG1 4.43Å; F126-V170 HydrophobicContact CE2-CB 4.19Å; F126-V170 HydrophobicContact CE2-CG1 3.6Å; F126-V170 HydrophobicContact CE2-CG2 4.28Å; F126-V170 HydrophobicContact CZ-CG1 3.94Å; F126-H315 AromaticContact CD1-CE1 3.66Å; F126-H315 AromaticContact CD2-CE1 3.15Å; F126-H315 WeakPolarHBondContact CD2-CE1 3.49Å; F126-H315 AromaticContact CD2-CG 3.99Å; F126-H315 AromaticContact CD2-ND1 3.05Å; F126-H315 WeakPolarHBondContact CD2-ND1 3.48Å; F126-H315 AromaticContact CE1-CE1 3.65Å; F126-H315 AromaticContact CE2-CE1 3.16Å; F126-H315 WeakPolarHBondContact CE2-CE1 3.22Å; F126-H315 AromaticContact CE2-ND1 3.18Å; F126-H315 WeakPolarHBondContact CE2-ND1 3.28Å; F126-H315 AromaticContact CG-CE1 3.4Å; F126-H315 VanDerWaalsContact CG-CE1 3.4Å; F126-H315 WeakPolarHBondContact CG-CE1 3.38Å; F126-H315 AromaticContact CG-ND1 3.71Å; F126-H315 AromaticContact CG-NE2 3.99Å; F126-H315 AromaticContact CZ-CE1 3.42Å; F126-H315 VanDerWaalsContact CZ-CE1 3.42Å; F126-H315 WeakPolarHBondContact CZ-CE1 3.25Å; F126-H315 AromaticContact CZ-ND1 3.92Å
127P82.2Confident81.2Confident0 Ų055.5 Ų55.50%027%0.272CS..  trans-61.7128.7177.1-25.636.2000113Q129 L130 V170 T174 F175P127-Q129 PolarHBondContact O-N 3.39Å; P127-L130 HydrophobicContact CB-CD1 4.5Å; P127-L130 HydrophobicContact CB-CG 4.49Å; P127-L130 PolarHBondContact O-N 3.04Å; P127-L130 VanDerWaalsContact O-N 3.09Å; P127-V170 HydrophobicContact CG-CG1 4.33Å; P127-T174 HydrophobicContact CB-CG2 3.82Å; P127-T174 HydrophobicContact CG-CG2 4.3Å; P127-F175 HydrophobicContact CB-CE1 4.35Å; P127-F175 HydrophobicContact CB-CE2 4.22Å; P127-F175 HydrophobicContact CB-CZ 3.81Å; P127-F175 HydrophobicContact CG-CE2 4.19Å; P127-F175 HydrophobicContact CG-CZ 4.28Å
128D77.3Confident81.3Confident27 Ų2754.7 Ų54.714%0.14428%0.279CS..Hα-helixtrans-64.1-29.8-179.6-84.83.2000111.6F126 L130 L131 E150F126-D128 PolarHBondContact O-N 2.95Å; D128-L130 PolarHBondContact O-N 3.49Å; D128-L131 PolarHBondContact O-N 3.05Å; D128-L131 WeakPolarHBondContact OD1-CD1 3.35Å; D128-E150 WeakPolarHBondContact CB-OE1 3.16Å; D128-E150 PolarHBondContact N-OE1 3.48Å
129Q77.1Confident80.8Confident22 Ų2256.8 Ų56.810%0.10329%0.287CS..Hα-helixtrans-49-32.1172.8-59.3-162.43.900112.9P127 R134 D147 E150 T174 F175P127-Q129 PolarHBondContact O-N 3.39Å; Q129-R134 PolarHBondContact O-NH2 3.15Å; Q129-D147 HydrophobicContact CG-CB 3.85Å; Q129-D147 PolarHBondContact NE2-O 3.24Å; Q129-E150 WeakPolarHBondContact CG-OE2 3.39Å; Q129-E150 PolarHBondContact N-OE2 3.47Å; Q129-E150 VanDerWaalsContact N-OE2 3.1Å; Q129-T174 HydrophobicContact CB-CG2 3.92Å; Q129-T174 HydrophobicContact CG-CG2 4.16Å; Q129-F175 HydrophobicContact CG-CE1 4.19Å
130L76.6Confident80.2Confident83 Ų8359.2 Ų59.244%0.43530%0.298SS..Hα-helixtrans-94-15.5-176.4-62.2-179.6000113.5F126 P127 D128 T132 V170 T174F126-L130 HydrophobicContact CD1-CB 4.16Å; F126-L130 HydrophobicContact CE1-CB 3.38Å; F126-L130 HydrophobicContact CE1-CD1 3.72Å; F126-L130 HydrophobicContact CE1-CG 4.2Å; F126-L130 HydrophobicContact CE2-CD1 4.26Å; F126-L130 HydrophobicContact CZ-CB 4.01Å; F126-L130 HydrophobicContact CZ-CD1 3.47Å; F126-L130 VanDerWaalsContact CZ-CD1 3.47Å; F126-L130 HydrophobicContact CZ-CG 4.41Å; P127-L130 HydrophobicContact CB-CD1 4.5Å; P127-L130 HydrophobicContact CB-CG 4.49Å; P127-L130 PolarHBondContact O-N 3.04Å; P127-L130 VanDerWaalsContact O-N 3.09Å; D128-L130 PolarHBondContact O-N 3.49Å; L130-T132 VanDerWaalsContact C-N 3.27Å; L130-T132 PolarHBondContact O-N 3.36Å; L130-V170 HydrophobicContact CD1-CG1 3.36Å; L130-T174 WeakPolarHBondContact CD1-OG1 3.31Å; L130-T174 HydrophobicContact CG-CG2 4.3Å
131L69.9Low79.5Confident110 Ų11065.3 Ų65.358%0.57633%0.33SS*.Hα-helixtrans-74.9-16.2179-64.9-179.1000113F126 D128F126-L131 HydrophobicContact CD1-CD2 3.87Å; F126-L131 HydrophobicContact CD1-CG 4.3Å; D128-L131 PolarHBondContact O-N 3.05Å; D128-L131 WeakPolarHBondContact OD1-CD1 3.35Å
132T65.9Low78.9Confident24 Ų2468.7 Ų68.715%0.14734%0.343CS..SBendtrans-102.1118.7-175.5-51.10000112.6L130 R134 K139 R143L130-T132 VanDerWaalsContact C-N 3.27Å; L130-T132 PolarHBondContact O-N 3.36Å; T132-R134 PolarHBondContact O-N 3.5Å; T132-K139 VanDerWaalsContact CG2-CE 3.43Å; T132-R143 HydrophobicContact CG2-CG 4.47Å; T132-R143 VanDerWaalsContact OG1-CZ 3.28Å; T132-R143 PolarHBondContact OG1-NE 3.49Å; T132-R143 PolarHBondContact OG1-NH2 3.36Å
133Q62.9Low78.3Confident128 Ų12869.9 Ų69.960%0.59835%0.348SS*.  trans-66.7115.2171-65-174.3-100111.4K135 K139Q133-K135 HydrophobicContact CB-CG 4.42Å; Q133-K135 PolarHBondContact O-N 2.75Å; Q133-K139 WeakPolarHBondContact O-CD 3.32Å; Q133-K139 WeakPolarHBondContact O-CE 3.42Å; Q133-K139 PolarHBondContact O-NZ 2.96Å
134R66.1Low77.8Confident104 Ų10472.4 Ų72.439%0.39237%0.369SS..  trans-90.258.3-175.5-63.2176.1178.5160.4-5112.7Q129 T132 S136 K140 D147Q129-R134 PolarHBondContact O-NH2 3.15Å; T132-R134 PolarHBondContact O-N 3.5Å; R134-S136 VanDerWaalsContact C-N 3.35Å; R134-S136 PolarHBondContact O-N 3.48Å; R134-K140 HydrophobicContact CB-CG 4.06Å; R134-D147 IonicContact CZ-OD2 3.05Å; R134-D147 IonicContact NE-OD2 3.15Å; R134-D147 IonicContact NH2-OD2 3.91Å; R134-D147 PolarHBondContact NH2-OD2 2.76Å
135K67.8Low77.5Confident181 Ų18175.6 Ų75.679%0.78739%0.389SS*.  trans-71.9-15.5-173.6-68.5-178.2173.61690115.7Q133Q133-K135 HydrophobicContact CB-CG 4.42Å; Q133-K135 PolarHBondContact O-N 2.75Å
136S79.8Confident77.5Confident65 Ų6574.2 Ų74.246%0.45538%0.383SS..SBendtrans-138.3150-175.8169.20000112.6R134 L138 K139 K140R134-S136 VanDerWaalsContact C-N 3.35Å; R134-S136 PolarHBondContact O-N 3.48Å; S136-L138 VanDerWaalsContact C-N 3.32Å; S136-L138 PolarHBondContact O-N 3.41Å; S136-L138 PolarHBondContact OG-N 3.28Å; S136-K139 PolarHBondContact O-N 3.34Å; S136-K140 PolarHBondContact O-N 2.97Å
137A77.6Confident77.6Confident79 Ų7973.1 Ų73.165%0.65338%0.379SS*.Hα-helixtrans-59.5-38.517700000112.8K139 K140 L141A137-K139 VanDerWaalsContact C-N 3.32Å; A137-K139 PolarHBondContact O-N 3.34Å; A137-K140 WeakPolarHBondContact O-CB 3.36Å; A137-K140 PolarHBondContact O-N 3.45Å; A137-L141 PolarHBondContact O-N 2.64Å
138L78.8Confident77.9Confident135 Ų13579.6 Ų79.671%0.70740%0.403SS*.Hα-helixtrans-62.5-41.2176.1-17667.9000111.5S136 K140 L141 Y142S136-L138 VanDerWaalsContact C-N 3.32Å; S136-L138 PolarHBondContact O-N 3.41Å; S136-L138 PolarHBondContact OG-N 3.28Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 2.97Å; L138-L141 PolarHBondContact O-N 2.78Å; L138-Y142 PolarHBondContact O-N 2.95Å
139K77.1Confident78.5Confident85 Ų8581 Ų8137%0.3741%0.41SS..Hα-helixtrans-67.7-34.4177.8-163.1176.1-175.8-173.10111.8T132 Q133 S136 A137 R143T132-K139 VanDerWaalsContact CG2-CE 3.43Å; Q133-K139 WeakPolarHBondContact O-CD 3.32Å; Q133-K139 WeakPolarHBondContact O-CE 3.42Å; Q133-K139 PolarHBondContact O-NZ 2.96Å; S136-K139 PolarHBondContact O-N 3.34Å; A137-K139 VanDerWaalsContact C-N 3.32Å; A137-K139 PolarHBondContact O-N 3.34Å; K139-R143 WeakPolarHBondContact O-CB 3.35Å; K139-R143 PolarHBondContact O-N 3.25Å
140K79.6Confident79.2Confident120 Ų12080.2 Ų80.252%0.52241%0.406SS..Hα-helixtrans-64.4-45.8172.3-69.7179.1-179.6-178.20111.3R134 S136 A137 L138 R143 A144R134-K140 HydrophobicContact CB-CG 4.06Å; S136-K140 PolarHBondContact O-N 2.97Å; A137-K140 WeakPolarHBondContact O-CB 3.36Å; A137-K140 PolarHBondContact O-N 3.45Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 2.97Å; K140-R143 PolarHBondContact O-N 3.23Å; K140-A144 PolarHBondContact O-N 2.99Å
141L81.9Confident79.9Confident129 Ų12977.6 Ų77.668%0.67539%0.392SS*.Hα-helixtrans-63.1-43.3178.4-174.467000112.1A137 L138 R143 P145A137-L141 PolarHBondContact O-N 2.64Å; L138-L141 PolarHBondContact O-N 2.78Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 3.42Å; L141-P145 WeakPolarHBondContact O-CD 3.46Å
142Y83.4Confident81Confident71 Ų7178.7 Ų78.728%0.27839%0.388SS..Hα-helixtrans-62.3-39.1174.9165.7-105.1000112.9L72 L138 P145 I146L72-Y142 HydrophobicContact CD2-CD2 4.08Å; L72-Y142 HydrophobicContact CD2-CE1 4.47Å; L72-Y142 HydrophobicContact CD2-CE2 3.34Å; L138-Y142 PolarHBondContact O-N 2.95Å; Y142-P145 WeakPolarHBondContact O-CD 3.32Å; Y142-P145 WeakPolarHBondContact O-CG 3.21Å; Y142-I146 HydrophobicContact CD1-CD1 4.5Å; Y142-I146 HydrophobicContact CE1-CD1 3.82Å; Y142-I146 HydrophobicContact CE2-CD1 3.91Å; Y142-I146 VanDerWaalsContact CZ-CD1 3.49Å
143R84.7Confident82.3Confident29 Ų2978.1 Ų78.111%0.10939%0.385CS..Hα-helixtrans-78-31-178.8-83.8-65.8-1701734.1114A74 T132 K139 K140 L141 I146 D147A74-R143 VanDerWaalsContact CB-CZ 3.46Å; T132-R143 HydrophobicContact CG2-CG 4.47Å; T132-R143 VanDerWaalsContact OG1-CZ 3.28Å; T132-R143 PolarHBondContact OG1-NE 3.49Å; T132-R143 PolarHBondContact OG1-NH2 3.36Å; K139-R143 WeakPolarHBondContact O-CB 3.35Å; K139-R143 PolarHBondContact O-N 3.25Å; K140-R143 PolarHBondContact O-N 3.23Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 3.42Å; R143-I146 WeakPolarHBondContact O-CA 3.36Å; R143-I146 WeakPolarHBondContact O-CB 3.5Å; R143-I146 PolarHBondContact O-N 2.93Å; R143-D147 WeakPolarHBondContact O-CB 3.42Å; R143-D147 VanDerWaalsContact O-CG 3.23Å; R143-D147 PolarHBondContact O-N 2.78Å
144A83.9Confident83.8Confident54 Ų5472 Ų7245%0.44636%0.356SS..Hα-helixtrans-46.9-49.1-179.100000115.1K140 W148K140-A144 PolarHBondContact O-N 2.99Å; A144-W148 WeakPolarHBondContact O-CB 3.34Å; A144-W148 PolarHBondContact O-N 3.36Å; A144-W148 VanDerWaalsContact O-N 3.1Å
145P86Confident85.1Confident71 Ų7168.6 Ų68.646%0.46135%0.353SS..Hα-helixtrans-68.8-33.1176.926.5-35000113.2L141 Y142 M149L141-P145 WeakPolarHBondContact O-CD 3.46Å; Y142-P145 WeakPolarHBondContact O-CD 3.32Å; Y142-P145 WeakPolarHBondContact O-CG 3.21Å; P145-M149 WeakPolarHBondContact O-CB 3.23Å; P145-M149 VanDerWaalsContact O-CG 3.29Å; P145-M149 WeakPolarHBondContact O-CG 3.44Å; P145-M149 PolarHBondContact O-N 3.09Å
146I85.8Confident86.4Confident4 Ų462.7 Ų62.72%0.02133%0.329CS..Hα-helixtrans-68.6-46179.1-62.2178.7000110.4A74 Y78 Y142 R143 M149 E150A74-I146 HydrophobicContact CB-CD1 4.33Å; Y78-I146 HydrophobicContact CD2-CG2 4.48Å; Y78-I146 HydrophobicContact CE1-CG2 4.14Å; Y78-I146 HydrophobicContact CE2-CG2 3.66Å; Y78-I146 VanDerWaalsContact CZ-CG2 3.44Å; Y78-I146 VanDerWaalsContact OH-CG2 3.26Å; Y78-I146 WeakPolarHBondContact OH-CG2 3.2Å; Y78-I146 PolarHBondContact OH-O 3.42Å; Y142-I146 HydrophobicContact CD1-CD1 4.5Å; Y142-I146 HydrophobicContact CE1-CD1 3.82Å; Y142-I146 HydrophobicContact CE2-CD1 3.91Å; Y142-I146 VanDerWaalsContact CZ-CD1 3.49Å; R143-I146 WeakPolarHBondContact O-CA 3.36Å; R143-I146 WeakPolarHBondContact O-CB 3.5Å; R143-I146 PolarHBondContact O-N 2.93Å; I146-M149 HydrophobicContact CG1-CE 4.36Å; I146-M149 WeakPolarHBondContact O-CB 3.33Å; I146-M149 PolarHBondContact O-N 3.43Å; I146-E150 PolarHBondContact O-N 3.04Å
147D85.9Confident87.1Confident14 Ų1460.4 Ų60.48%0.07531%0.314CS..Hα-helixtrans-64.3-42.2-179.7-650.6000110.5Q129 R134 R143 M149 E150 E151Q129-D147 HydrophobicContact CG-CB 3.85Å; Q129-D147 PolarHBondContact NE2-O 3.24Å; R134-D147 IonicContact CZ-OD2 3.05Å; R134-D147 IonicContact NE-OD2 3.15Å; R134-D147 IonicContact NH2-OD2 3.91Å; R134-D147 PolarHBondContact NH2-OD2 2.76Å; R143-D147 WeakPolarHBondContact O-CB 3.42Å; R143-D147 VanDerWaalsContact O-CG 3.23Å; R143-D147 PolarHBondContact O-N 2.78Å; D147-M149 PolarHBondContact O-N 3.39Å; D147-E150 PolarHBondContact O-N 3.07Å; D147-E151 PolarHBondContact O-N 3.5Å; D147-E151 VanDerWaalsContact O-N 3.11Å
148W88.1Confident87.9Confident136 Ų13659 Ų5952%0.51530%0.296SS..Hα-helixtrans-63.3-39.4173.3175.298.9000112.4A144 R152A144-W148 WeakPolarHBondContact O-CB 3.34Å; A144-W148 PolarHBondContact O-N 3.36Å; A144-W148 VanDerWaalsContact O-N 3.1Å; W148-R152 VanDerWaalsContact CE2-CZ 3.42Å; W148-R152 WeakPolarHBondContact O-CG 3.46Å; W148-R152 PolarHBondContact O-N 3.12Å; W148-R152 VanDerWaalsContact O-N 3.13Å
149M90.2Very high88.7Confident57 Ų5753.6 Ų53.628%0.28127%0.267SS..Hα-helixtrans-67.3-45.2177.4-80.3-171.8-61.200110.8Y78 V106 P145 I146 D147 E151 R152 T153Y78-M149 HydrophobicContact CD2-CE 4.01Å; Y78-M149 HydrophobicContact CE2-CB 4.33Å; Y78-M149 HydrophobicContact CE2-CE 4.01Å; V106-M149 HydrophobicContact CG2-SD 4.47Å; P145-M149 WeakPolarHBondContact O-CB 3.23Å; P145-M149 VanDerWaalsContact O-CG 3.29Å; P145-M149 WeakPolarHBondContact O-CG 3.44Å; P145-M149 PolarHBondContact O-N 3.09Å; I146-M149 HydrophobicContact CG1-CE 4.36Å; I146-M149 WeakPolarHBondContact O-CB 3.33Å; I146-M149 PolarHBondContact O-N 3.43Å; D147-M149 PolarHBondContact O-N 3.39Å; M149-E151 VanDerWaalsContact C-N 3.34Å; M149-E151 PolarHBondContact O-N 2.95Å; M149-R152 PolarHBondContact O-N 3.06Å; M149-T153 VanDerWaalsContact O-CB 3.32Å; M149-T153 WeakPolarHBondContact O-CB 3.46Å; M149-T153 VanDerWaalsContact O-CG2 3.27Å; M149-T153 WeakPolarHBondContact O-CG2 3.28Å; M149-T153 PolarHBondContact O-N 3.42Å; M149-T153 PolarHBondContact O-OG1 2.77Å
150E90.6Very high89.6Confident6 Ų650 Ų503%0.02825%0.252CS..Hα-helixtrans-53.2-52.6176.8-174.1-168.516800110.6S105 D128 Q129 I146 D147 R152 T153 T154 F175S105-E150 PolarHBondContact OG-O 3.36Å; D128-E150 WeakPolarHBondContact CB-OE1 3.16Å; D128-E150 PolarHBondContact N-OE1 3.48Å; Q129-E150 WeakPolarHBondContact CG-OE2 3.39Å; Q129-E150 PolarHBondContact N-OE2 3.47Å; Q129-E150 VanDerWaalsContact N-OE2 3.1Å; I146-E150 PolarHBondContact O-N 3.04Å; D147-E150 PolarHBondContact O-N 3.07Å; E150-R152 PolarHBondContact O-N 3.01Å; E150-T153 PolarHBondContact O-N 2.9Å; E150-T153 PolarHBondContact O-OG1 3.47Å; E150-T154 WeakPolarHBondContact O-CB 3.36Å; E150-T154 PolarHBondContact O-N 3.29Å; E150-T154 PolarHBondContact O-OG1 2.76Å; E150-F175 HydrophobicContact CG-CE1 4.23Å; E150-F175 HydrophobicContact CG-CZ 4.16Å; E150-F175 WeakPolarHBondContact OE1-CZ 3.43Å
151E92.1Very high90.4Very high27 Ų2744.3 Ų44.313%0.12623%0.227CC..Hα-helixtrans-59.8-49.7-179-177.9173179.500111.7D147 M149 T153 G155 F175 C176 S177 L178D147-E151 PolarHBondContact O-N 3.5Å; D147-E151 VanDerWaalsContact O-N 3.11Å; M149-E151 VanDerWaalsContact C-N 3.34Å; M149-E151 PolarHBondContact O-N 2.95Å; E151-T153 PolarHBondContact O-N 2.97Å; E151-G155 PolarHBondContact O-N 3.29Å; E151-G155 VanDerWaalsContact O-N 3.16Å; E151-F175 HydrophobicContact CB-CD1 3.68Å; E151-F175 HydrophobicContact CB-CE1 4.14Å; E151-F175 HydrophobicContact CB-CG 4.46Å; E151-F175 HydrophobicContact CG-CB 3.89Å; E151-F175 HydrophobicContact CG-CD1 3.7Å; E151-F175 HydrophobicContact CG-CG 4.07Å; E151-F175 WeakPolarHBondContact OE1-CA 3.42Å; E151-C176 PolarHBondContact OE1-N 3.45Å; E151-C176 VanDerWaalsContact OE1-N 3.16Å; E151-S177 WeakPolarHBondContact CG-OG 3.38Å; E151-S177 WeakPolarHBondContact OE1-CA 3.43Å; E151-S177 WeakPolarHBondContact OE1-CB 3.43Å; E151-S177 PolarHBondContact OE1-N 3.36Å; E151-S177 PolarHBondContact OE1-OG 3.45Å; E151-L178 HydrophobicContact CG-CD1 4.49Å; E151-L178 HydrophobicContact CG-CG 4.21Å; E151-L178 WeakPolarHBondContact O-CD1 3.39Å
152R92.8Very high91.1Very high133 Ų13338.1 Ų38.150%0.50220%0.195SC..Hα-helixtrans-65.8-42.3-177.9-72.5-162.1167.2169.24.3113.1W148 M149 E150 G155 M156W148-R152 VanDerWaalsContact CE2-CZ 3.42Å; W148-R152 WeakPolarHBondContact O-CG 3.46Å; W148-R152 PolarHBondContact O-N 3.12Å; W148-R152 VanDerWaalsContact O-N 3.13Å; M149-R152 PolarHBondContact O-N 3.06Å; E150-R152 PolarHBondContact O-N 3.01Å; R152-G155 PolarHBondContact O-N 3.41Å; R152-M156 WeakPolarHBondContact O-CG 3.28Å; R152-M156 PolarHBondContact O-N 2.94Å
153T94.2Very high91.5Very high12 Ų1235.4 Ų35.47%0.07419%0.185CC..Hα-helixtrans-75.1-33.7-176.757.40000111.7S105 V106 I108 P109 M149 E150 E151 G155 M156S105-T153 VanDerWaalsContact O-CB 3.31Å; S105-T153 WeakPolarHBondContact O-CB 3.39Å; S105-T153 PolarHBondContact O-OG1 3.46Å; S105-T153 PolarHBondContact OG-OG1 3.46Å; S105-T153 VanDerWaalsContact OG-OG1 3.1Å; V106-T153 PolarHBondContact N-OG1 2.98Å; I108-T153 WeakPolarHBondContact CD1-O 3.49Å; P109-T153 HydrophobicContact CG-CG2 3.53Å; M149-T153 VanDerWaalsContact O-CB 3.32Å; M149-T153 WeakPolarHBondContact O-CB 3.46Å; M149-T153 VanDerWaalsContact O-CG2 3.27Å; M149-T153 WeakPolarHBondContact O-CG2 3.28Å; M149-T153 PolarHBondContact O-N 3.42Å; M149-T153 PolarHBondContact O-OG1 2.77Å; E150-T153 PolarHBondContact O-N 2.9Å; E150-T153 PolarHBondContact O-OG1 3.47Å; E151-T153 PolarHBondContact O-N 2.97Å; T153-G155 VanDerWaalsContact C-N 3.32Å; T153-G155 PolarHBondContact O-N 2.97Å; T153-M156 WeakPolarHBondContact O-CB 3.43Å; T153-M156 PolarHBondContact O-N 3.16Å
154T93.7Very high92Very high1 Ų134 Ų341%0.00618%0.18CC..Hα-helixtrans-58.2-44.3169.4-58.10000111.3S105 F122 E150 M156 A157 I160 F171 F175 L178S105-T154 VanDerWaalsContact CB-OG1 3.27Å; S105-T154 WeakPolarHBondContact CB-OG1 3.42Å; S105-T154 PolarHBondContact OG-OG1 3.25Å; F122-T154 HydrophobicContact CD1-CG2 3.78Å; F122-T154 HydrophobicContact CE1-CG2 3.85Å; E150-T154 WeakPolarHBondContact O-CB 3.36Å; E150-T154 PolarHBondContact O-N 3.29Å; E150-T154 PolarHBondContact O-OG1 2.76Å; T154-M156 PolarHBondContact O-N 3.42Å; T154-M156 VanDerWaalsContact O-N 3.08Å; T154-A157 WeakPolarHBondContact O-CB 3.24Å; T154-A157 PolarHBondContact O-N 2.95Å; T154-A157 VanDerWaalsContact O-N 3.16Å; T154-I160 HydrophobicContact CG2-CD1 3.91Å; T154-F171 HydrophobicContact CG2-CE2 3.78Å; T154-F171 HydrophobicContact CG2-CZ 4.07Å; T154-F175 HydrophobicContact CG2-CE2 4.3Å; T154-L178 HydrophobicContact CG2-CD1 4.31Å
155G93Very high92.5Very high32 Ų3236.3 Ų36.333%0.3318%0.181SC..THydrogen-bonded Turntrans-65.8-7.1175.400000115.4E151 R152 T153E151-G155 PolarHBondContact O-N 3.29Å; E151-G155 VanDerWaalsContact O-N 3.16Å; R152-G155 PolarHBondContact O-N 3.41Å; T153-G155 VanDerWaalsContact C-N 3.32Å; T153-G155 PolarHBondContact O-N 2.97Å
156M94.4Very high92.9Very high57 Ų5735 Ų3528%0.28117%0.169SC..THydrogen-bonded Turntrans-89.6-5.9175.7-66.917463.400113.3I108 P109 R112 R152 T153 T154I108-M156 HydrophobicContact CG2-CB 3.76Å; P109-M156 HydrophobicContact CB-CE 3.84Å; P109-M156 HydrophobicContact CB-SD 4.39Å; P109-M156 HydrophobicContact CG-CE 3.89Å; P109-M156 HydrophobicContact CG-SD 3.81Å; R112-M156 WeakPolarHBondContact CD-O 3.24Å; R112-M156 PolarHBondContact NH1-O 2.87Å; R152-M156 WeakPolarHBondContact O-CG 3.28Å; R152-M156 PolarHBondContact O-N 2.94Å; T153-M156 WeakPolarHBondContact O-CB 3.43Å; T153-M156 PolarHBondContact O-N 3.16Å; T154-M156 PolarHBondContact O-N 3.42Å; T154-M156 VanDerWaalsContact O-N 3.08Å
157A94.9Very high93.2Very high17 Ų1734.9 Ų34.914%0.1417%0.168CC..SBendtrans-64.4149.2172.100000111.3I108 F122 T154 M159 I160I108-A157 HydrophobicContact CD1-CB 4.2Å; F122-A157 HydrophobicContact CB-CB 3.67Å; T154-A157 WeakPolarHBondContact O-CB 3.24Å; T154-A157 PolarHBondContact O-N 2.95Å; T154-A157 VanDerWaalsContact O-N 3.16Å; A157-M159 VanDerWaalsContact C-N 3.35Å; A157-I160 HydrophobicContact CB-CG1 4Å
158D95.3Very high93.6Very high50 Ų5034.4 Ų34.427%0.26717%0.166SC..SBendtrans-77.7-25.9173.1-66.1-92.5000111.5K119 V120 L403K119-D158 WeakPolarHBondContact CA-OD2 3.34Å; K119-D158 HydrophobicContact CD-CB 3.91Å; K119-D158 WeakPolarHBondContact CD-OD1 3.33Å; K119-D158 IonicContact NZ-OD1 3.62Å; K119-D158 PolarHBondContact NZ-OD1 2.94Å; V120-D158 PolarHBondContact N-OD2 3.5Å; V120-D158 PolarHBondContact O-N 3.36Å; D158-L403 HydrophobicContact CB-CD2 3.91Å
159M95.4Very high93.8Very high20 Ų2028.5 Ų28.510%0.09915%0.147CC..EExtended strand (participates in β ladder)trans-147.5143175.4-176.6178.3-74.300109.8V120 L121 F122 A157 L161 Y399 Q402 L403V120-M159 PolarHBondContact O-N 2.69Å; L121-M159 WeakPolarHBondContact CA-O 3.42Å; L121-M159 HydrophobicContact CD1-SD 4.29Å; F122-M159 PolarHBondContact N-O 2.77Å; A157-M159 VanDerWaalsContact C-N 3.35Å; M159-L161 HydrophobicContact CG-CD2 4.18Å; M159-L161 HydrophobicContact SD-CD2 4.18Å; M159-Y399 HydrophobicContact CE-CD1 3.85Å; M159-Y399 HydrophobicContact SD-CD1 3.48Å; M159-Y399 WeakPolarHBondContact SD-CD1 3.49Å; M159-Y399 HydrophobicContact SD-CE1 4.36Å; M159-Y399 HydrophobicContact SD-CG 3.83Å; M159-Q402 HydrophobicContact CE-CG 4.33Å; M159-L403 HydrophobicContact CB-CD1 4.06Å; M159-L403 HydrophobicContact CB-CD2 4.03Å; M159-L403 HydrophobicContact CB-CG 4.44Å; M159-L403 HydrophobicContact CE-CD1 4.28Å; M159-L403 HydrophobicContact CE-CD2 4.2Å; M159-L403 HydrophobicContact CE-CG 3.95Å; M159-L403 HydrophobicContact SD-CD1 3.98Å; M159-L403 HydrophobicContact SD-CG 4.32Å
160I96.7Very high93.8Very high10 Ų1026.2 Ų26.25%0.05114%0.136CC..EExtended strand (participates in β ladder)trans-122.2125177-55.3-177.9000108.4F122 T154 A157 F171 V181 P183 D184F122-I160 CarbonylContact O-C 3.4Å; F122-I160 VanDerWaalsContact O-CA 3.32Å; F122-I160 WeakPolarHBondContact O-CA 3.44Å; T154-I160 HydrophobicContact CG2-CD1 3.91Å; A157-I160 HydrophobicContact CB-CG1 4Å; I160-F171 HydrophobicContact CD1-CE2 4.25Å; I160-F171 HydrophobicContact CD1-CZ 3.72Å; I160-F171 HydrophobicContact CG2-CE2 3.95Å; I160-F171 HydrophobicContact CG2-CZ 4.25Å; I160-V181 HydrophobicContact CD1-CG1 3.79Å; I160-V181 HydrophobicContact CG1-CG1 4.46Å; I160-P183 HydrophobicContact CB-CB 4.38Å; I160-P183 HydrophobicContact CG2-CB 4.07Å; I160-P183 HydrophobicContact CG2-CG 4.29Å; I160-P183 WeakPolarHBondContact O-CA 3.26Å; I160-D184 PolarHBondContact O-N 3.46Å
161L96.4Very high93.9Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-109.1146.9172.7-59-171000110.1L121 F122 Y123 C124 M159 D184 L186 L396 Y399L121-L161 HydrophobicContact CD1-CD1 3.88Å; L121-L161 HydrophobicContact CD1-CG 4.37Å; L121-L161 HydrophobicContact CD2-CB 4.46Å; L121-L161 HydrophobicContact CD2-CD1 3.88Å; L121-L161 HydrophobicContact CD2-CG 3.95Å; L121-L161 HydrophobicContact CG-CD1 4.19Å; L121-L161 HydrophobicContact CG-CG 4.22Å; F122-L161 PolarHBondContact O-N 3.4Å; Y123-L161 WeakPolarHBondContact CA-O 3.47Å; Y123-L161 HydrophobicContact CD2-CB 3.67Å; Y123-L161 HydrophobicContact CD2-CD1 4.42Å; Y123-L161 HydrophobicContact CE2-CB 4.14Å; Y123-L161 HydrophobicContact CG-CB 4.5Å; C124-L161 PolarHBondContact N-O 3.07Å; M159-L161 HydrophobicContact CG-CD2 4.18Å; M159-L161 HydrophobicContact SD-CD2 4.18Å; L161-D184 CarbonylContact C-O 3.47Å; L161-D184 VanDerWaalsContact CA-O 3.28Å; L161-D184 WeakPolarHBondContact CA-O 3.27Å; L161-D184 HydrophobicContact CD2-CB 3.66Å; L161-L186 HydrophobicContact CB-CB 4.36Å; L161-L186 HydrophobicContact CD1-CB 3.89Å; L161-L186 HydrophobicContact CD1-CD2 3.6Å; L161-L186 HydrophobicContact CD1-CG 4.37Å; L161-L396 HydrophobicContact CD1-CD1 4.37Å; L161-Y399 HydrophobicContact CD1-CD2 3.83Å; L161-Y399 HydrophobicContact CD1-CE2 4.26Å; L161-Y399 HydrophobicContact CD1-CG 4.34Å; L161-Y399 HydrophobicContact CD2-CD1 4.32Å; L161-Y399 HydrophobicContact CD2-CD2 4.05Å; L161-Y399 HydrophobicContact CD2-CE1 4.22Å; L161-Y399 HydrophobicContact CD2-CE2 3.94Å; L161-Y399 HydrophobicContact CD2-CG 4.25Å
162V95.1Very high93.9Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-130.7159172.7-67.80000110.5C124 S164 T167 A168 P183 D184 V185 L186C124-V162 HydrophobicContact CB-CG1 3.98Å; V162-S164 VanDerWaalsContact C-N 3.33Å; V162-S164 WeakPolarHBondContact CG2-O 3.35Å; V162-S164 PolarHBondContact O-N 3.14Å; V162-T167 HydrophobicContact CB-CG2 4.04Å; V162-T167 HydrophobicContact CG1-CG2 4.11Å; V162-A168 HydrophobicContact CG2-CB 3.8Å; V162-P183 HydrophobicContact CG1-CB 3.83Å; V162-P183 HydrophobicContact CG1-CG 4.35Å; V162-P183 HydrophobicContact CG2-CB 3.97Å; V162-D184 PolarHBondContact N-O 2.8Å; V162-V185 HydrophobicContact CG2-CG2 3.98Å; V162-V185 WeakPolarHBondContact O-CA 3.18Å; V162-L186 PolarHBondContact O-N 2.62Å
163N93.3Very high93.8Very high13 Ų1331.2 Ų31.27%0.0716%0.16CC..SBendtrans-76.2-14.7-176.262.91000115.2Y123 H125 T167 Y187 P188Y123-N163 HydrophobicContact CE1-CB 4.43Å; Y123-N163 VanDerWaalsContact OH-CA 3.26Å; Y123-N163 WeakPolarHBondContact OH-CA 3.13Å; Y123-N163 VanDerWaalsContact OH-CB 3.27Å; Y123-N163 WeakPolarHBondContact OH-CB 3.35Å; H125-N163 PolarHBondContact O-ND2 2.93Å; H125-N163 VanDerWaalsContact O-ND2 3.11Å; N163-T167 WeakPolarHBondContact OD1-CB 3.39Å; N163-T167 PolarHBondContact OD1-OG1 2.81Å; N163-Y187 WeakPolarHBondContact O-CD1 3.27Å; N163-P188 HydrophobicContact CB-CG 3.83Å; N163-P188 VanDerWaalsContact O-CD 3.31Å; N163-P188 WeakPolarHBondContact O-CD 3.3Å
164S94.2Very high93.5Very high0 Ų031.5 Ų31.50%016%0.162CC..  trans-163.5157.6-176.274.60000111.2V162 F166 T167 A168 H315 E340V162-S164 VanDerWaalsContact C-N 3.33Å; V162-S164 WeakPolarHBondContact CG2-O 3.35Å; V162-S164 PolarHBondContact O-N 3.14Å; S164-F166 PolarHBondContact O-N 2.97Å; S164-T167 PolarHBondContact O-N 2.98Å; S164-T167 PolarHBondContact OG-N 2.83Å; S164-T167 PolarHBondContact OG-OG1 2.93Å; S164-T167 VanDerWaalsContact OG-OG1 3.09Å; S164-A168 PolarHBondContact O-N 2.69Å; S164-H315 WeakPolarHBondContact CB-O 3.42Å; S164-H315 PolarHBondContact OG-O 3.02Å; S164-E340 WeakPolarHBondContact CB-OE1 3.48Å
165Q94.7Very high93.3Very high103 Ų10331.5 Ų31.548%0.48116%0.162SC..Hα-helixtrans-61.9-33.8170.1-64.4-67.2-13.500111.6A168 G169 V185 E340Q165-A168 WeakPolarHBondContact O-CB 3.4Å; Q165-A168 PolarHBondContact O-N 2.85Å; Q165-G169 PolarHBondContact O-N 3.16Å; Q165-V185 VanDerWaalsContact CD-CG2 3.43Å; Q165-V185 HydrophobicContact CG-CG2 3.97Å; Q165-E340 WeakPolarHBondContact CA-OE1 3.35Å; Q165-E340 VanDerWaalsContact CB-CD 3.5Å; Q165-E340 HydrophobicContact CB-CG 4.46Å; Q165-E340 WeakPolarHBondContact CB-OE1 3.41Å; Q165-E340 WeakPolarHBondContact CB-OE2 3.48Å; Q165-E340 VanDerWaalsContact CG-OE2 3.3Å; Q165-E340 WeakPolarHBondContact CG-OE2 3.35Å; Q165-E340 PolarHBondContact N-OE1 3.49Å; Q165-E340 PolarHBondContact N-OE2 2.87Å
166F93.4Very high93Very high44 Ų4434.1 Ų34.119%0.19317%0.174CC..Hα-helixtrans-58-49.7170.9172.8-101.4000111S164 A168 G169 V170 R313 E340S164-F166 PolarHBondContact O-N 2.97Å; F166-A168 VanDerWaalsContact C-N 3.3Å; F166-A168 PolarHBondContact O-N 2.84Å; F166-G169 WeakPolarHBondContact O-CA 3.43Å; F166-G169 PolarHBondContact O-N 3.26Å; F166-V170 HydrophobicContact CD1-CG2 4.33Å; F166-V170 HydrophobicContact CE1-CG2 3.87Å; F166-V170 HydrophobicContact CE2-CG2 4.23Å; F166-V170 HydrophobicContact CZ-CG2 3.82Å; F166-V170 WeakPolarHBondContact O-CG2 3.43Å; F166-V170 PolarHBondContact O-N 3.46Å; F166-R313 HydrophobicContact CE2-CB 4.47Å; F166-R313 HydrophobicContact CZ-CB 3.91Å; F166-E340 PolarHBondContact N-OE1 2.81Å
167T92.3Very high92.8Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-64.8-33.7176.2-60.30000111.7V162 N163 S164 G169 V170 F171V162-T167 HydrophobicContact CB-CG2 4.04Å; V162-T167 HydrophobicContact CG1-CG2 4.11Å; N163-T167 WeakPolarHBondContact OD1-CB 3.39Å; N163-T167 PolarHBondContact OD1-OG1 2.81Å; S164-T167 PolarHBondContact O-N 2.98Å; S164-T167 PolarHBondContact OG-N 2.83Å; S164-T167 PolarHBondContact OG-OG1 2.93Å; S164-T167 VanDerWaalsContact OG-OG1 3.09Å; T167-G169 VanDerWaalsContact C-N 3.28Å; T167-G169 PolarHBondContact O-N 3Å; T167-V170 PolarHBondContact O-N 2.77Å; T167-F171 VanDerWaalsContact O-CB 3.28Å; T167-F171 WeakPolarHBondContact O-CB 3.21Å; T167-F171 PolarHBondContact O-N 2.76Å
168A94Very high92.6Very high4 Ų435 Ų353%0.03318%0.183CC..Hα-helixtrans-61-36.7170.800000112.4V162 S164 Q165 F166 R172V162-A168 HydrophobicContact CG2-CB 3.8Å; S164-A168 PolarHBondContact O-N 2.69Å; Q165-A168 WeakPolarHBondContact O-CB 3.4Å; Q165-A168 PolarHBondContact O-N 2.85Å; F166-A168 VanDerWaalsContact C-N 3.3Å; F166-A168 PolarHBondContact O-N 2.84Å; A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 2.99Å; A168-R172 PolarHBondContact O-NE 3.44Å; A168-R172 VanDerWaalsContact O-NE 3.16Å
169G92.6Very high92Very high13 Ų1337.8 Ų37.813%0.13420%0.198CC..Hα-helixtrans-62.5-53.7170.400000111.8Q165 F166 T167 F171 R172 E173Q165-G169 PolarHBondContact O-N 3.16Å; F166-G169 WeakPolarHBondContact O-CA 3.43Å; F166-G169 PolarHBondContact O-N 3.26Å; T167-G169 VanDerWaalsContact C-N 3.28Å; T167-G169 PolarHBondContact O-N 3Å; G169-F171 VanDerWaalsContact C-N 3.29Å; G169-F171 PolarHBondContact O-N 3.04Å; G169-R172 PolarHBondContact O-N 3.29Å; G169-R172 VanDerWaalsContact O-N 3.1Å; G169-E173 WeakPolarHBondContact O-CG 3.39Å; G169-E173 PolarHBondContact O-N 3.4Å
170V91.1Very high91.6Very high8 Ų848 Ų485%0.04824%0.236CC..Hα-helixtrans-60.5-38.4179.6179.20000112F126 P127 L130 F166 T167 R172 E173 T174F126-V170 HydrophobicContact CD2-CG1 4.43Å; F126-V170 HydrophobicContact CE2-CB 4.19Å; F126-V170 HydrophobicContact CE2-CG1 3.6Å; F126-V170 HydrophobicContact CE2-CG2 4.28Å; F126-V170 HydrophobicContact CZ-CG1 3.94Å; P127-V170 HydrophobicContact CG-CG1 4.33Å; L130-V170 HydrophobicContact CD1-CG1 3.36Å; F166-V170 HydrophobicContact CD1-CG2 4.33Å; F166-V170 HydrophobicContact CE1-CG2 3.87Å; F166-V170 HydrophobicContact CE2-CG2 4.23Å; F166-V170 HydrophobicContact CZ-CG2 3.82Å; F166-V170 WeakPolarHBondContact O-CG2 3.43Å; F166-V170 PolarHBondContact O-N 3.46Å; T167-V170 PolarHBondContact O-N 2.77Å; V170-R172 PolarHBondContact O-N 3.44Å; V170-E173 PolarHBondContact O-N 3.44Å; V170-T174 VanDerWaalsContact O-CB 3.28Å; V170-T174 WeakPolarHBondContact O-CB 3.36Å; V170-T174 PolarHBondContact O-N 3.16Å; V170-T174 PolarHBondContact O-OG1 3.48Å
171F92.8Very high91.2Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-56-49.4174.1178.9-80.3000111C124 T154 I160 T167 G169 T174 F175 L178 P183C124-F171 HydrophobicContact CB-CD2 4.49Å; T154-F171 HydrophobicContact CG2-CE2 3.78Å; T154-F171 HydrophobicContact CG2-CZ 4.07Å; I160-F171 HydrophobicContact CD1-CE2 4.25Å; I160-F171 HydrophobicContact CD1-CZ 3.72Å; I160-F171 HydrophobicContact CG2-CE2 3.95Å; I160-F171 HydrophobicContact CG2-CZ 4.25Å; T167-F171 VanDerWaalsContact O-CB 3.28Å; T167-F171 WeakPolarHBondContact O-CB 3.21Å; T167-F171 PolarHBondContact O-N 2.76Å; G169-F171 VanDerWaalsContact C-N 3.29Å; G169-F171 PolarHBondContact O-N 3.04Å; F171-T174 PolarHBondContact O-N 3.29Å; F171-F175 HydrophobicContact CD1-CD2 4.12Å; F171-F175 AromaticContact CD2-CD2 3.45Å; F171-F175 HydrophobicContact CD2-CD2 3.45Å; F171-F175 VanDerWaalsContact CD2-CD2 3.45Å; F171-F175 AromaticContact CD2-CE2 3.55Å; F171-F175 HydrophobicContact CD2-CE2 3.55Å; F171-F175 HydrophobicContact CE1-CD2 4.01Å; F171-F175 AromaticContact CE2-CD2 3.33Å; F171-F175 HydrophobicContact CE2-CD2 3.33Å; F171-F175 AromaticContact CE2-CE2 3.48Å; F171-F175 HydrophobicContact CE2-CE2 3.48Å; F171-F175 VanDerWaalsContact CE2-CE2 3.48Å; F171-F175 AromaticContact CG-CD2 3.85Å; F171-F175 HydrophobicContact CG-CD2 3.85Å; F171-F175 HydrophobicContact CG-CE2 4.33Å; F171-F175 AromaticContact CZ-CD2 3.61Å; F171-F175 HydrophobicContact CZ-CD2 3.61Å; F171-F175 HydrophobicContact CZ-CE2 4.2Å; F171-F175 WeakPolarHBondContact O-CB 3.48Å; F171-F175 PolarHBondContact O-N 2.85Å; F171-L178 HydrophobicContact CE1-CB 4.28Å; F171-L178 HydrophobicContact CE1-CD1 4.3Å; F171-L178 HydrophobicContact CZ-CD1 3.83Å; F171-P183 HydrophobicContact CB-CG 4.45Å; F171-P183 HydrophobicContact CD1-CG 3.51Å; F171-P183 HydrophobicContact CD2-CG 4.25Å; F171-P183 HydrophobicContact CE1-CG 3.72Å; F171-P183 HydrophobicContact CE2-CG 4.4Å; F171-P183 HydrophobicContact CG-CG 3.83Å; F171-P183 HydrophobicContact CZ-CG 4.17Å
172R91.5Very high90.9Very high132 Ų13257.9 Ų57.950%0.49829%0.285SS..Hα-helixtrans-67.4-36.8-180-71.2178-68.1160.1-1.5112.8A168 G169 V170 T174A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 2.99Å; A168-R172 PolarHBondContact O-NE 3.44Å; A168-R172 VanDerWaalsContact O-NE 3.16Å; G169-R172 PolarHBondContact O-N 3.29Å; G169-R172 VanDerWaalsContact O-N 3.1Å; V170-R172 PolarHBondContact O-N 3.44Å; R172-T174 VanDerWaalsContact C-N 3.33Å
173E90Very high90.9Very high139 Ų13958.2 Ų58.265%0.6529%0.287SS*.Hα-helixtrans-68.9-32.2176-70.9174.9-172.200112.3G169 V170G169-E173 WeakPolarHBondContact O-CG 3.39Å; G169-E173 PolarHBondContact O-N 3.4Å; V170-E173 PolarHBondContact O-N 3.44Å
174T88.8Confident91Very high19 Ų1960.7 Ų60.712%0.11730%0.3CS..Hα-helixtrans-87.5-46.2-176-53.30000112P127 Q129 L130 V170 F171 R172 C176P127-T174 HydrophobicContact CB-CG2 3.82Å; P127-T174 HydrophobicContact CG-CG2 4.3Å; Q129-T174 HydrophobicContact CB-CG2 3.92Å; Q129-T174 HydrophobicContact CG-CG2 4.16Å; L130-T174 WeakPolarHBondContact CD1-OG1 3.31Å; L130-T174 HydrophobicContact CG-CG2 4.3Å; V170-T174 VanDerWaalsContact O-CB 3.28Å; V170-T174 WeakPolarHBondContact O-CB 3.36Å; V170-T174 PolarHBondContact O-N 3.16Å; V170-T174 PolarHBondContact O-OG1 3.48Å; F171-T174 PolarHBondContact O-N 3.29Å; R172-T174 VanDerWaalsContact C-N 3.33Å; T174-C176 PolarHBondContact O-N 2.96Å
175F89.8Confident91.1Very high1 Ų161.4 Ų61.40%0.00431%0.305CS..  trans-96.771.5-176.7-60.5-40.3000111.5P127 Q129 E150 E151 T154 F171 S177 L178P127-F175 HydrophobicContact CB-CE1 4.35Å; P127-F175 HydrophobicContact CB-CE2 4.22Å; P127-F175 HydrophobicContact CB-CZ 3.81Å; P127-F175 HydrophobicContact CG-CE2 4.19Å; P127-F175 HydrophobicContact CG-CZ 4.28Å; Q129-F175 HydrophobicContact CG-CE1 4.19Å; E150-F175 HydrophobicContact CG-CE1 4.23Å; E150-F175 HydrophobicContact CG-CZ 4.16Å; E150-F175 WeakPolarHBondContact OE1-CZ 3.43Å; E151-F175 HydrophobicContact CB-CD1 3.68Å; E151-F175 HydrophobicContact CB-CE1 4.14Å; E151-F175 HydrophobicContact CB-CG 4.46Å; E151-F175 HydrophobicContact CG-CB 3.89Å; E151-F175 HydrophobicContact CG-CD1 3.7Å; E151-F175 HydrophobicContact CG-CG 4.07Å; E151-F175 WeakPolarHBondContact OE1-CA 3.42Å; T154-F175 HydrophobicContact CG2-CE2 4.3Å; F171-F175 HydrophobicContact CD1-CD2 4.12Å; F171-F175 AromaticContact CD2-CD2 3.45Å; F171-F175 HydrophobicContact CD2-CD2 3.45Å; F171-F175 VanDerWaalsContact CD2-CD2 3.45Å; F171-F175 AromaticContact CD2-CE2 3.55Å; F171-F175 HydrophobicContact CD2-CE2 3.55Å; F171-F175 HydrophobicContact CE1-CD2 4.01Å; F171-F175 AromaticContact CE2-CD2 3.33Å; F171-F175 HydrophobicContact CE2-CD2 3.33Å; F171-F175 AromaticContact CE2-CE2 3.48Å; F171-F175 HydrophobicContact CE2-CE2 3.48Å; F171-F175 VanDerWaalsContact CE2-CE2 3.48Å; F171-F175 AromaticContact CG-CD2 3.85Å; F171-F175 HydrophobicContact CG-CD2 3.85Å; F171-F175 HydrophobicContact CG-CE2 4.33Å; F171-F175 AromaticContact CZ-CD2 3.61Å; F171-F175 HydrophobicContact CZ-CD2 3.61Å; F171-F175 HydrophobicContact CZ-CE2 4.2Å; F171-F175 WeakPolarHBondContact O-CB 3.48Å; F171-F175 PolarHBondContact O-N 2.85Å; F175-S177 VanDerWaalsContact C-N 3.26Å; F175-S177 PolarHBondContact O-N 3.01Å; F175-L178 HydrophobicContact CB-CB 4.04Å; F175-L178 HydrophobicContact CB-CD1 4.02Å; F175-L178 HydrophobicContact CB-CG 4.09Å; F175-L178 HydrophobicContact CD2-CD1 4.37Å; F175-L178 HydrophobicContact CG-CD1 4.34Å; F175-L178 WeakPolarHBondContact O-CA 3.3Å; F175-L178 PolarHBondContact O-N 2.96Å
176C86.9Confident91.1Very high87 Ų8756.5 Ų56.559%0.58828%0.282SS*.G310 helixtrans-56.1-34-174.3-64.20000114.4E151 T174 L178E151-C176 PolarHBondContact OE1-N 3.45Å; E151-C176 VanDerWaalsContact OE1-N 3.16Å; T174-C176 PolarHBondContact O-N 2.96Å; C176-L178 VanDerWaalsContact C-N 3.26Å; C176-L178 PolarHBondContact O-N 3.42Å
177S89.9Confident91.2Very high74 Ų7455.8 Ų55.852%0.51728%0.278SS..G310 helixtrans-75.2-14.7176.973.40000113.5E151 F175E151-S177 WeakPolarHBondContact CG-OG 3.38Å; E151-S177 WeakPolarHBondContact OE1-CA 3.43Å; E151-S177 WeakPolarHBondContact OE1-CB 3.43Å; E151-S177 PolarHBondContact OE1-N 3.36Å; E151-S177 PolarHBondContact OE1-OG 3.45Å; F175-S177 VanDerWaalsContact C-N 3.26Å; F175-S177 PolarHBondContact O-N 3.01Å
178L89.9Confident91.1Very high17 Ų1756.9 Ų56.99%0.08929%0.285CS..G310 helixtrans-100.219.7175.8-55.1-173.3000112.9E151 T154 F171 F175 C176 R180 V181E151-L178 HydrophobicContact CG-CD1 4.49Å; E151-L178 HydrophobicContact CG-CG 4.21Å; E151-L178 WeakPolarHBondContact O-CD1 3.39Å; T154-L178 HydrophobicContact CG2-CD1 4.31Å; F171-L178 HydrophobicContact CE1-CB 4.28Å; F171-L178 HydrophobicContact CE1-CD1 4.3Å; F171-L178 HydrophobicContact CZ-CD1 3.83Å; F175-L178 HydrophobicContact CB-CB 4.04Å; F175-L178 HydrophobicContact CB-CD1 4.02Å; F175-L178 HydrophobicContact CB-CG 4.09Å; F175-L178 HydrophobicContact CD2-CD1 4.37Å; F175-L178 HydrophobicContact CG-CD1 4.34Å; F175-L178 WeakPolarHBondContact O-CA 3.3Å; F175-L178 PolarHBondContact O-N 2.96Å; C176-L178 VanDerWaalsContact C-N 3.26Å; C176-L178 PolarHBondContact O-N 3.42Å; L178-R180 PolarHBondContact O-N 3.36Å; L178-V181 HydrophobicContact CB-CB 4.33Å; L178-V181 HydrophobicContact CB-CG2 4.16Å; L178-V181 HydrophobicContact CD2-CG2 4.43Å; L178-V181 WeakPolarHBondContact O-CB 3.27Å; L178-V181 PolarHBondContact O-N 3.46Å
179N84.1Confident91Very high110 Ų11057.3 Ų57.359%0.58829%0.287SS*.THydrogen-bonded Turntrans-57.8-18.4-176.766.30.7000115.7
180R85.4Confident90.9Very high235 Ų23557 Ų5789%0.88728%0.283SS*.THydrogen-bonded Turntrans-89.4-12.9174.8-66-179.8-1761770.1113.6L178L178-R180 PolarHBondContact O-N 3.36Å
181V88.8Confident90.6Very high51 Ų5158.4 Ų58.431%0.30929%0.29SS..  trans-84.3123.6176.9-175.40000107.6I160 L178 P183I160-V181 HydrophobicContact CD1-CG1 3.79Å; I160-V181 HydrophobicContact CG1-CG1 4.46Å; L178-V181 HydrophobicContact CB-CB 4.33Å; L178-V181 HydrophobicContact CB-CG2 4.16Å; L178-V181 HydrophobicContact CD2-CG2 4.43Å; L178-V181 WeakPolarHBondContact O-CB 3.27Å; L178-V181 PolarHBondContact O-N 3.46Å; V181-P183 WeakPolarHBondContact O-CD 3.12Å
182Q90.3Very high90.3Very high166 Ų16659.5 Ų59.578%0.77630%0.297SS*.  trans-104.7106.8173.9-174.3167.710.600108
183P94.4Very high89.9Confident7 Ų758.1 Ų58.15%0.04530%0.299CS..PPolyproline II helixtrans-65.3141.1172.2-1932.4000110.4I160 V162 F171 V181I160-P183 HydrophobicContact CB-CB 4.38Å; I160-P183 HydrophobicContact CG2-CB 4.07Å; I160-P183 HydrophobicContact CG2-CG 4.29Å; I160-P183 WeakPolarHBondContact O-CA 3.26Å; V162-P183 HydrophobicContact CG1-CB 3.83Å; V162-P183 HydrophobicContact CG1-CG 4.35Å; V162-P183 HydrophobicContact CG2-CB 3.97Å; F171-P183 HydrophobicContact CB-CG 4.45Å; F171-P183 HydrophobicContact CD1-CG 3.51Å; F171-P183 HydrophobicContact CD2-CG 4.25Å; F171-P183 HydrophobicContact CE1-CG 3.72Å; F171-P183 HydrophobicContact CE2-CG 4.4Å; F171-P183 HydrophobicContact CG-CG 3.83Å; F171-P183 HydrophobicContact CZ-CG 4.17Å; V181-P183 WeakPolarHBondContact O-CD 3.12Å
184D96.3Very high89.4Confident65 Ų6552.5 Ų52.535%0.34828%0.277SS..EExtended strand (participates in β ladder)trans-84.9153.7168.8-78.1-12.4000110I160 L161 V162 Y399I160-D184 PolarHBondContact O-N 3.46Å; L161-D184 CarbonylContact C-O 3.47Å; L161-D184 VanDerWaalsContact CA-O 3.28Å; L161-D184 WeakPolarHBondContact CA-O 3.27Å; L161-D184 HydrophobicContact CD2-CB 3.66Å; V162-D184 PolarHBondContact N-O 2.8Å; D184-Y399 HydrophobicContact CB-CE1 4.03Å; D184-Y399 WeakPolarHBondContact CB-OH 3.41Å; D184-Y399 VanDerWaalsContact OD2-CE1 3.23Å; D184-Y399 WeakPolarHBondContact OD2-CE1 3.36Å
185V95.6Very high89.1Confident15 Ų1552.1 Ų52.19%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-98.8122.9-179.3179.50000110V162 Q165 Y187V162-V185 HydrophobicContact CG2-CG2 3.98Å; V162-V185 WeakPolarHBondContact O-CA 3.18Å; Q165-V185 VanDerWaalsContact CD-CG2 3.43Å; Q165-V185 HydrophobicContact CG-CG2 3.97Å; V185-Y187 HydrophobicContact CG1-CD1 3.79Å; V185-Y187 HydrophobicContact CG1-CD2 4.28Å; V185-Y187 HydrophobicContact CG1-CE1 3.49Å; V185-Y187 VanDerWaalsContact CG1-CE1 3.49Å; V185-Y187 HydrophobicContact CG1-CE2 4Å; V185-Y187 HydrophobicContact CG1-CG 4.18Å
186L95.4Very high88.9Confident0 Ų055.1 Ų55.10%029%0.29CS..  trans-120.3103.9168.617668.3000107.4Y123 L161 V162 F392 Q395 L396Y123-L186 HydrophobicContact CD2-CD2 4.35Å; Y123-L186 HydrophobicContact CE2-CB 4.08Å; Y123-L186 HydrophobicContact CE2-CD2 4.01Å; Y123-L186 HydrophobicContact CE2-CG 4.27Å; Y123-L186 PolarHBondContact OH-O 2.86Å; L161-L186 HydrophobicContact CB-CB 4.36Å; L161-L186 HydrophobicContact CD1-CB 3.89Å; L161-L186 HydrophobicContact CD1-CD2 3.6Å; L161-L186 HydrophobicContact CD1-CG 4.37Å; V162-L186 PolarHBondContact O-N 2.62Å; L186-F392 HydrophobicContact CD1-CD2 3.56Å; L186-F392 HydrophobicContact CD1-CE2 3.88Å; L186-F392 HydrophobicContact CD1-CG 4.43Å; L186-F392 HydrophobicContact CD2-CD2 4.03Å; L186-F392 HydrophobicContact CD2-CE2 3.44Å; L186-F392 VanDerWaalsContact CD2-CE2 3.44Å; L186-F392 HydrophobicContact CD2-CZ 4.04Å; L186-F392 HydrophobicContact CG-CD2 3.65Å; L186-F392 HydrophobicContact CG-CE2 3.45Å; L186-F392 VanDerWaalsContact CG-CE2 3.45Å; L186-F392 HydrophobicContact CG-CZ 4.49Å; L186-Q395 HydrophobicContact CD1-CB 3.66Å; L186-L396 HydrophobicContact CD1-CB 4.38Å; L186-L396 HydrophobicContact CD2-CB 4Å; L186-L396 HydrophobicContact CD2-CD1 3.81Å; L186-L396 HydrophobicContact CD2-CG 4.33Å
187Y94.6Very high88.7Confident29 Ų2957 Ų5711%0.11429%0.289CS..PPolyproline II helixtrans-65.9141.9-175.2-68.1-63.9000112.2N163 V185 F316 E340 F387 F392N163-Y187 WeakPolarHBondContact O-CD1 3.27Å; V185-Y187 HydrophobicContact CG1-CD1 3.79Å; V185-Y187 HydrophobicContact CG1-CD2 4.28Å; V185-Y187 HydrophobicContact CG1-CE1 3.49Å; V185-Y187 VanDerWaalsContact CG1-CE1 3.49Å; V185-Y187 HydrophobicContact CG1-CE2 4Å; V185-Y187 HydrophobicContact CG1-CG 4.18Å; Y187-F316 HydrophobicContact CD1-CD2 4.07Å; Y187-F316 AromaticContact CD1-CE2 3.49Å; Y187-F316 HydrophobicContact CD1-CE2 3.49Å; Y187-F316 VanDerWaalsContact CD1-CE2 3.49Å; Y187-F316 HydrophobicContact CD1-CZ 4.27Å; Y187-F316 HydrophobicContact CE1-CE2 4.12Å; Y187-F316 HydrophobicContact CG-CE2 4.3Å; Y187-E340 HydrophobicContact CE1-CB 4.2Å; Y187-E340 WeakPolarHBondContact CE1-OE2 3.33Å; Y187-E340 PolarHBondContact OH-OE2 2.88Å; Y187-F387 HydrophobicContact CD1-CE1 4.02Å; Y187-F387 HydrophobicContact CD2-CD1 4.39Å; Y187-F387 AromaticContact CD2-CE1 3.87Å; Y187-F387 HydrophobicContact CD2-CE1 3.87Å; Y187-F387 HydrophobicContact CE1-CE1 4.49Å; Y187-F387 HydrophobicContact CE2-CE1 4.37Å; Y187-F387 HydrophobicContact CG-CD1 4.05Å; Y187-F387 AromaticContact CG-CE1 3.69Å; Y187-F387 HydrophobicContact CG-CE1 3.69Å; Y187-F392 WeakPolarHBondContact O-CD2 3.29Å
188P91.9Very high88.3Confident22 Ų2255.3 Ų55.314%0.14327%0.274CS..PPolyproline II helixtrans-56.3140.3170-24.334.4000111.5L19 N163 F316L19-P188 HydrophobicContact CD1-CB 4.37Å; L19-P188 HydrophobicContact CD1-CG 4.35Å; N163-P188 HydrophobicContact CB-CG 3.83Å; N163-P188 VanDerWaalsContact O-CD 3.31Å; N163-P188 WeakPolarHBondContact O-CD 3.3Å; P188-F316 HydrophobicContact CB-CD1 3.96Å; P188-F316 HydrophobicContact CB-CE1 4.04Å; P188-F316 HydrophobicContact CG-CB 4.25Å; P188-F316 HydrophobicContact CG-CD1 3.58Å; P188-F316 HydrophobicContact CG-CE1 4.02Å; P188-F316 HydrophobicContact CG-CG 3.89Å
189S91.1Very high87.7Confident13 Ų1356 Ų569%0.09128%0.281CS..PPolyproline II helixtrans-87.2151.217752.10000112.9D22 F387D22-S189 PolarHBondContact OD2-OG 2.9Å; S189-F387 CarbonylContact C-O 3.59Å; S189-F387 WeakPolarHBondContact CA-O 3.11Å
190L90.4Very high87.3Confident7 Ų756.8 Ų56.84%0.03729%0.289CS..BIsolated β-bridgetrans-97.1131160.7-169.770.7000109.9T192 F195 V321 E322 Y325 V383 F387 L389L190-T192 PolarHBondContact O-N 3.38Å; L190-F195 HydrophobicContact CD1-CD2 4.02Å; L190-F195 HydrophobicContact CD1-CE2 3.48Å; L190-F195 VanDerWaalsContact CD1-CE2 3.48Å; L190-F195 HydrophobicContact CD1-CZ 3.94Å; L190-F195 HydrophobicContact CD2-CD2 4.38Å; L190-F195 HydrophobicContact CD2-CE2 4.46Å; L190-F195 HydrophobicContact CG-CD2 4.17Å; L190-F195 HydrophobicContact CG-CE2 4.14Å; L190-V321 HydrophobicContact CB-CG1 4.11Å; L190-V321 HydrophobicContact CD2-CG1 4.36Å; L190-E322 HydrophobicContact CD1-CG 3.75Å; L190-Y325 VanDerWaalsContact CD2-CB 3.48Å; L190-Y325 HydrophobicContact CD2-CD1 3.86Å; L190-Y325 HydrophobicContact CD2-CD2 4.38Å; L190-Y325 HydrophobicContact CD2-CG 3.63Å; L190-V383 HydrophobicContact CD2-CG1 4.18Å; L190-F387 PolarHBondContact N-O 2.92Å; L190-L389 PolarHBondContact O-N 3.42Å
191N85.3Confident86.5Confident37 Ų3752.7 Ų52.720%0.19828%0.28CS..  trans-77.888.2169.7-173-17000109.7R18 N193 A194 F195R18-N191 PolarHBondContact NH2-ND2 3.2Å; N191-N193 VanDerWaalsContact C-N 3.32Å; N191-N193 PolarHBondContact O-N 3.34Å; N191-N193 PolarHBondContact OD1-N 3.13Å; N191-A194 HydrophobicContact CB-CB 4.22Å; N191-A194 PolarHBondContact O-N 2.67Å; N191-A194 PolarHBondContact OD1-N 3.14Å; N191-F195 PolarHBondContact O-N 2.94Å
192T86.3Confident85.4Confident23 Ų2351.5 Ų51.514%0.14128%0.276CS..Hα-helixtrans-59.8-38.7-176.851.30000112.9L190 A194 F195 D196 Y325L190-T192 PolarHBondContact O-N 3.38Å; T192-A194 VanDerWaalsContact C-N 3.33Å; T192-A194 PolarHBondContact O-N 3.46Å; T192-F195 WeakPolarHBondContact O-CB 3.31Å; T192-F195 PolarHBondContact O-N 3.45Å; T192-F195 VanDerWaalsContact O-N 3.12Å; T192-D196 PolarHBondContact O-N 2.87Å; T192-Y325 WeakPolarHBondContact CB-OH 3.32Å; T192-Y325 HydrophobicContact CG2-CD2 3.94Å; T192-Y325 HydrophobicContact CG2-CE1 4.17Å; T192-Y325 HydrophobicContact CG2-CE2 3.43Å; T192-Y325 VanDerWaalsContact CG2-CE2 3.43Å
193N83Confident84.4Confident104 Ų10452 Ų5256%0.55628%0.278SS*.Hα-helixtrans-63.2-39.8-179.9-65.7-18.2000112N191 F195 D196 Q197N191-N193 VanDerWaalsContact C-N 3.32Å; N191-N193 PolarHBondContact O-N 3.34Å; N191-N193 PolarHBondContact OD1-N 3.13Å; N193-F195 VanDerWaalsContact C-N 3.31Å; N193-D196 PolarHBondContact O-N 3.42Å; N193-Q197 WeakPolarHBondContact O-CG 3.34Å; N193-Q197 PolarHBondContact O-N 3.1Å
194A79.9Confident83.1Confident21 Ų2154.3 Ų54.317%0.17430%0.303CS..Hα-helixtrans-63.6-40.9175.900000110.8N191 T192 Q197 M198N191-A194 HydrophobicContact CB-CB 4.22Å; N191-A194 PolarHBondContact O-N 2.67Å; N191-A194 PolarHBondContact OD1-N 3.14Å; T192-A194 VanDerWaalsContact C-N 3.33Å; T192-A194 PolarHBondContact O-N 3.46Å; A194-Q197 PolarHBondContact O-N 2.84Å; A194-M198 HydrophobicContact CB-CE 3.66Å; A194-M198 WeakPolarHBondContact O-CB 3.5Å; A194-M198 WeakPolarHBondContact O-CE 3.38Å; A194-M198 WeakPolarHBondContact O-CG 3.49Å; A194-M198 PolarHBondContact O-N 3.2Å
195F82.5Confident81.9Confident11 Ų1152.4 Ų52.45%0.04829%0.293CS..Hα-helixtrans-63.3-42.2175.5-90.2-104000112.4L190 N191 T192 N193 M198 S199 V298 L301 E322 Y325L190-F195 HydrophobicContact CD1-CD2 4.02Å; L190-F195 HydrophobicContact CD1-CE2 3.48Å; L190-F195 VanDerWaalsContact CD1-CE2 3.48Å; L190-F195 HydrophobicContact CD1-CZ 3.94Å; L190-F195 HydrophobicContact CD2-CD2 4.38Å; L190-F195 HydrophobicContact CD2-CE2 4.46Å; L190-F195 HydrophobicContact CG-CD2 4.17Å; L190-F195 HydrophobicContact CG-CE2 4.14Å; N191-F195 PolarHBondContact O-N 2.94Å; T192-F195 WeakPolarHBondContact O-CB 3.31Å; T192-F195 PolarHBondContact O-N 3.45Å; T192-F195 VanDerWaalsContact O-N 3.12Å; N193-F195 VanDerWaalsContact C-N 3.31Å; F195-M198 PolarHBondContact O-N 3.34Å; F195-S199 WeakPolarHBondContact O-CB 3.5Å; F195-S199 PolarHBondContact O-N 3.43Å; F195-S199 PolarHBondContact O-OG 2.97Å; F195-V298 HydrophobicContact CD1-CG2 3.93Å; F195-V298 HydrophobicContact CE1-CG2 4.03Å; F195-L301 HydrophobicContact CE1-CD1 4.15Å; F195-E322 HydrophobicContact CE1-CB 3.94Å; F195-E322 HydrophobicContact CE1-CG 4.21Å; F195-E322 HydrophobicContact CE2-CG 4.36Å; F195-E322 HydrophobicContact CZ-CB 3.82Å; F195-E322 HydrophobicContact CZ-CG 3.55Å; F195-Y325 HydrophobicContact CB-CD1 3.81Å; F195-Y325 HydrophobicContact CB-CE1 3.64Å; F195-Y325 HydrophobicContact CD1-CD1 4.23Å; F195-Y325 HydrophobicContact CG-CD1 4.12Å; F195-Y325 HydrophobicContact CG-CE1 4.42Å
196D85.8Confident80.6Confident64 Ų6460.6 Ų60.634%0.34233%0.33SS..Hα-helixtrans-65-39.7177.3-72.2-28.6000112.3T192 N193 S199 T200 Y325T192-D196 PolarHBondContact O-N 2.87Å; N193-D196 PolarHBondContact O-N 3.42Å; D196-S199 WeakPolarHBondContact O-CB 3.47Å; D196-S199 PolarHBondContact O-N 3.45Å; D196-T200 PolarHBondContact O-N 3.42Å; D196-T200 PolarHBondContact O-OG1 3.29Å; D196-Y325 PolarHBondContact OD1-OH 3.47Å; D196-Y325 PolarHBondContact OD2-OH 3.5Å
197Q82.2Confident79.5Confident125 Ų12564.5 Ų64.558%0.58437%0.371SS*.Hα-helixtrans-63.9-51.2175.2-73.4173.9000111.6N193 A194 S199 T200 E201N193-Q197 WeakPolarHBondContact O-CG 3.34Å; N193-Q197 PolarHBondContact O-N 3.1Å; A194-Q197 PolarHBondContact O-N 2.84Å; Q197-S199 PolarHBondContact O-N 3.45Å; Q197-T200 WeakPolarHBondContact O-CB 3.34Å; Q197-T200 PolarHBondContact O-N 3.23Å; Q197-E201 PolarHBondContact O-N 3.29Å; Q197-E201 VanDerWaalsContact O-N 3.12Å
198M81.6Confident78.8Confident39 Ų3966.7 Ų66.719%0.19238%0.384CS..Hα-helixtrans-59.5-34.1177.4-69.6178.4-128.300112.4A194 F195 T200 E201 A202 D294 V298A194-M198 HydrophobicContact CB-CE 3.66Å; A194-M198 WeakPolarHBondContact O-CB 3.5Å; A194-M198 WeakPolarHBondContact O-CE 3.38Å; A194-M198 WeakPolarHBondContact O-CG 3.49Å; A194-M198 PolarHBondContact O-N 3.2Å; F195-M198 PolarHBondContact O-N 3.34Å; M198-T200 VanDerWaalsContact C-N 3.27Å; M198-T200 PolarHBondContact O-N 3.45Å; M198-E201 PolarHBondContact O-N 3.47Å; M198-A202 WeakPolarHBondContact O-CB 3Å; M198-A202 PolarHBondContact O-N 3.29Å; M198-D294 HydrophobicContact SD-CB 3.56Å; M198-D294 VanDerWaalsContact SD-CB 3.56Å; M198-V298 HydrophobicContact CB-CB 4.37Å; M198-V298 HydrophobicContact CB-CG2 3.89Å; M198-V298 HydrophobicContact SD-CG2 4Å
199S76.8Confident78.4Confident33 Ų3367.2 Ų67.223%0.23139%0.385CS..Hα-helixtrans-64.8-32175.2-60.40000112.7F195 D196 Q197 V298 Q302F195-S199 WeakPolarHBondContact O-CB 3.5Å; F195-S199 PolarHBondContact O-N 3.43Å; F195-S199 PolarHBondContact O-OG 2.97Å; D196-S199 WeakPolarHBondContact O-CB 3.47Å; D196-S199 PolarHBondContact O-N 3.45Å; Q197-S199 PolarHBondContact O-N 3.45Å; S199-V298 VanDerWaalsContact OG-CG1 3.32Å; S199-V298 WeakPolarHBondContact OG-CG1 3.37Å; S199-Q302 VanDerWaalsContact CB-NE2 3.27Å; S199-Q302 PolarHBondContact OG-NE2 2.99Å
200T74.8Confident78.1Confident125 Ų12569.7 Ų69.777%0.76740%0.401SS*.Hα-helixtrans-79.6-34.6179.7-54.20000111.5D196 Q197 M198D196-T200 PolarHBondContact O-N 3.42Å; D196-T200 PolarHBondContact O-OG1 3.29Å; Q197-T200 WeakPolarHBondContact O-CB 3.34Å; Q197-T200 PolarHBondContact O-N 3.23Å; M198-T200 VanDerWaalsContact C-N 3.27Å; M198-T200 PolarHBondContact O-N 3.45Å
201E69.2Low77.9Confident149 Ų14978.8 Ų78.870%0.69644%0.443SS*.Hα-helixtrans-85.4-15.6-179.4-65.3178.2172.400113.6Q197 M198 Q203Q197-E201 PolarHBondContact O-N 3.29Å; Q197-E201 VanDerWaalsContact O-N 3.12Å; M198-E201 PolarHBondContact O-N 3.47Å; E201-Q203 PolarHBondContact O-N 3.32Å
202A66.8Low77.9Confident26 Ų2679.9 Ų79.922%0.21546%0.463CS..PPolyproline II helixtrans-58.6119.5-178.600000112.8M198 V299M198-A202 WeakPolarHBondContact O-CB 3Å; M198-A202 PolarHBondContact O-N 3.29Å; A202-V299 HydrophobicContact CB-CG2 3.19Å
203Q67.6Low78.2Confident178 Ų17880.9 Ų80.983%0.83247%0.469SS*.PPolyproline II helixtrans-78.8146.4164.9-65.2-178.9-9.400109.6E201E201-Q203 PolarHBondContact O-N 3.32Å
204G67.6Low78.7Confident55 Ų5580.3 Ų80.357%0.56747%0.47SS*.PPolyproline II helixtrans-61.2165.7-179.200000113.6Q206G204-Q206 PolarHBondContact O-N 2.94Å
205L70.6Confident79.5Confident24 Ų2480.9 Ų80.913%0.12647%0.469CS..  trans-71.422.3-179.7-60.1173.4000114.5G207 L208 L209 L216 V299 L300 T303L205-G207 PolarHBondContact O-N 3.15Å; L205-L208 HydrophobicContact CB-CB 4.5Å; L205-L208 HydrophobicContact CD2-CD1 3.99Å; L205-L208 PolarHBondContact O-N 3.44Å; L205-L209 HydrophobicContact CB-CD1 4.33Å; L205-L209 HydrophobicContact CB-CG 4.49Å; L205-L209 HydrophobicContact CD1-CD1 3.63Å; L205-L209 HydrophobicContact CD1-CG 4.44Å; L205-L216 HydrophobicContact CD1-CD2 4.18Å; L205-V299 HydrophobicContact CD1-CG1 4.13Å; L205-V299 HydrophobicContact CD2-CB 4.08Å; L205-V299 HydrophobicContact CD2-CG1 3.48Å; L205-V299 VanDerWaalsContact CD2-CG1 3.48Å; L205-V299 HydrophobicContact CG-CG1 3.44Å; L205-V299 VanDerWaalsContact CG-CG1 3.44Å; L205-L300 HydrophobicContact CD1-CD2 4.08Å; L205-L300 HydrophobicContact CD2-CD2 3.82Å; L205-L300 HydrophobicContact CD2-CG 4.14Å; L205-T303 HydrophobicContact CD1-CG2 3.87Å
206Q68.3Low80.2Confident187 Ų18780.6 Ų80.687%0.87447%0.467SS*.THydrogen-bonded Turntrans-60.4124.5-176.2-75.1-178.5-12.400110.5G204 L208G204-Q206 PolarHBondContact O-N 2.94Å; Q206-L208 PolarHBondContact O-N 3.33Å
207G73.6Confident80.8Confident83 Ų8377.5 Ų77.586%0.85645%0.451SS*.THydrogen-bonded Turntrans77.9-4.1-178.200000115.5L205L205-G207 PolarHBondContact O-N 3.15Å
208L78.4Confident81.6Confident75 Ų7571.6 Ų71.639%0.39342%0.423SS..THydrogen-bonded Turntrans-91.7-23.8176.4-65.9178.8000113.3L205 Q206 M289 V296L205-L208 HydrophobicContact CB-CB 4.5Å; L205-L208 HydrophobicContact CD2-CD1 3.99Å; L205-L208 PolarHBondContact O-N 3.44Å; Q206-L208 PolarHBondContact O-N 3.33Å; L208-M289 HydrophobicContact CB-CE 4.18Å; L208-V296 HydrophobicContact CD1-CG1 4.27Å
209L84.8Confident82.4Confident33 Ų3369.7 Ų69.717%0.17341%0.414CS..SBendtrans-123.5152179.2-63.2-180000110.8L205 L216 V254 M289L205-L209 HydrophobicContact CB-CD1 4.33Å; L205-L209 HydrophobicContact CB-CG 4.49Å; L205-L209 HydrophobicContact CD1-CD1 3.63Å; L205-L209 HydrophobicContact CD1-CG 4.44Å; L209-L216 HydrophobicContact CD1-CD1 4Å; L209-L216 HydrophobicContact CD1-CD2 3.92Å; L209-L216 HydrophobicContact CD2-CD1 4.2Å; L209-V254 HydrophobicContact CD2-CG2 3.49Å; L209-V254 VanDerWaalsContact CD2-CG2 3.49Å; L209-M289 HydrophobicContact CD2-CE 4.45Å
210P85.1Confident83.4Confident64 Ų6468.7 Ų68.742%0.41641%0.406SS..  trans-57.3153.3169.7-22.333.4000112.3V213P210-V213 HydrophobicContact CB-CG2 4.42Å; P210-V213 WeakPolarHBondContact O-CG2 3.39Å
211E85.1Confident84.3Confident199 Ų19963.4 Ų63.493%0.9337%0.373SS*.THydrogen-bonded Turntrans-67.3148.1171-65.5-172.9176.500111.1
212G86.4Confident85.4Confident60 Ų6063.7 Ų63.762%0.61937%0.368SS*.THydrogen-bonded Turntrans85.85.4176.200000115.9T214G212-T214 PolarHBondContact O-N 2.96Å
213V92.2Very high86.8Confident43 Ų4362.4 Ų62.426%0.26136%0.357SS..  trans-66.1119173178.50000110.2P210 L216 H252P210-V213 HydrophobicContact CB-CG2 4.42Å; P210-V213 WeakPolarHBondContact O-CG2 3.39Å; V213-L216 HydrophobicContact CG1-CB 4.27Å; V213-H252 HydrophobicContact CB-CB 4.44Å; V213-H252 HydrophobicContact CG1-CB 3.76Å; V213-H252 HydrophobicContact CG2-CB 3.74Å
214T93.6Very high88.1Confident93 Ų9355.2 Ų55.257%0.57132%0.324SS*.  trans-105.4-29176.452.40000112.2G212 G250G212-T214 PolarHBondContact O-N 2.96Å; T214-G250 PolarHBondContact N-O 2.87Å; T214-G250 WeakPolarHBondContact OG1-CA 3.25Å; T214-G250 PolarHBondContact OG1-O 2.91Å
215H96.7Very high89.5Confident33 Ų3357 Ų5715%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-131.1106179.3-64.7-74.9000110.2F217 G250 V251 H252 I366H215-F217 HydrophobicContact CB-CE2 4.49Å; H215-G250 PolarHBondContact N-O 2.56Å; H215-V251 HydrophobicContact CB-CG2 4.13Å; H215-V251 WeakPolarHBondContact O-CA 3.36Å; H215-H252 PolarHBondContact O-N 3.3Å; H215-I366 HydrophobicContact CB-CG1 4.3Å
216L97.7Very high90.6Very high4 Ų462.6 Ų62.62%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-95.2120.8174.8176.865.8000110.1L205 L209 V213 H252 V254 L300 T303 A304 T305L205-L216 HydrophobicContact CD1-CD2 4.18Å; L209-L216 HydrophobicContact CD1-CD1 4Å; L209-L216 HydrophobicContact CD1-CD2 3.92Å; L209-L216 HydrophobicContact CD2-CD1 4.2Å; V213-L216 HydrophobicContact CG1-CB 4.27Å; L216-H252 CarbonylContact C-O 3.49Å; L216-H252 WeakPolarHBondContact CA-O 3.2Å; L216-V254 HydrophobicContact CD1-CB 4.33Å; L216-V254 HydrophobicContact CD1-CG2 3.65Å; L216-L300 HydrophobicContact CD2-CD2 4.32Å; L216-T303 HydrophobicContact CD2-CG2 4.19Å; L216-A304 CarbonylContact O-C 3.57Å; L216-A304 WeakPolarHBondContact O-CA 3.48Å; L216-T305 WeakPolarHBondContact O-CB 3.05Å; L216-T305 PolarHBondContact O-N 3.3Å
217F98.6Very high91.9Very high0 Ų054.5 Ų54.50%030%0.298CS..EExtended strand (participates in β ladder)trans-98.5145.3164.6-67.5-82.2000109.7H215 L239 V251 H252 L253 V254 T305 A306 L308 M362 I366H215-F217 HydrophobicContact CB-CE2 4.49Å; F217-L239 HydrophobicContact CE2-CD2 4.05Å; F217-L239 HydrophobicContact CZ-CD2 4.45Å; F217-V251 HydrophobicContact CD2-CG1 3.99Å; F217-V251 HydrophobicContact CE2-CG1 3.94Å; F217-H252 PolarHBondContact N-O 3.31Å; F217-L253 HydrophobicContact CB-CD1 3.95Å; F217-L253 CarbonylContact O-C 3.29Å; F217-L253 WeakPolarHBondContact O-CA 3.44Å; F217-V254 PolarHBondContact O-N 2.65Å; F217-T305 HydrophobicContact CE1-CG2 4.1Å; F217-T305 HydrophobicContact CZ-CG2 4.1Å; F217-A306 HydrophobicContact CD1-CB 4.03Å; F217-A306 HydrophobicContact CE1-CB 4.04Å; F217-L308 HydrophobicContact CB-CD1 4.23Å; F217-L308 HydrophobicContact CB-CG 4.36Å; F217-L308 HydrophobicContact CD1-CD2 4.04Å; F217-L308 HydrophobicContact CD1-CG 4.44Å; F217-M362 HydrophobicContact CB-CE 4.27Å; F217-M362 HydrophobicContact CD1-CE 3.84Å; F217-M362 HydrophobicContact CD1-CG 4.05Å; F217-M362 HydrophobicContact CD2-CE 3.54Å; F217-M362 HydrophobicContact CE1-CB 3.73Å; F217-M362 HydrophobicContact CE1-CE 4.03Å; F217-M362 HydrophobicContact CE1-CG 3.63Å; F217-M362 HydrophobicContact CE2-CB 4.42Å; F217-M362 HydrophobicContact CE2-CE 3.74Å; F217-M362 HydrophobicContact CG-CE 3.59Å; F217-M362 HydrophobicContact CZ-CB 3.62Å; F217-M362 HydrophobicContact CZ-CE 3.97Å; F217-M362 HydrophobicContact CZ-CG 3.98Å; F217-I366 HydrophobicContact CE2-CD1 3.93Å; F217-I366 HydrophobicContact CE2-CG1 4.26Å; F217-I366 HydrophobicContact CZ-CD1 3.99Å; F217-I366 HydrophobicContact CZ-CG1 3.98Å
218L98.7Very high93Very high0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-125.2122.7-178.2177.365000110.2L220 V254 A256 L300 L301 A304 A306 V307 L308L218-L220 HydrophobicContact CD2-CB 4.44Å; L218-L220 HydrophobicContact CG-CB 4.26Å; L218-V254 WeakPolarHBondContact CA-O 3.47Å; L218-V254 HydrophobicContact CD1-CB 3.95Å; L218-V254 HydrophobicContact CD1-CG1 3.79Å; L218-A256 HydrophobicContact CD1-CB 4.13Å; L218-L300 HydrophobicContact CD1-CB 4.18Å; L218-L300 HydrophobicContact CD1-CD1 4.19Å; L218-L300 HydrophobicContact CD2-CB 3.83Å; L218-L301 HydrophobicContact CD2-CD2 3.76Å; L218-L301 HydrophobicContact CD2-CG 4.14Å; L218-A304 HydrophobicContact CB-CB 3.95Å; L218-A306 PolarHBondContact N-O 2.95Å; L218-A306 VanDerWaalsContact N-O 3.08Å; L218-V307 HydrophobicContact CB-CG2 4.25Å; L218-V307 HydrophobicContact CD2-CG2 4.1Å; L218-V307 HydrophobicContact CG-CG2 4.45Å; L218-V307 CarbonylContact O-C 3.43Å; L218-V307 VanDerWaalsContact O-CA 3.25Å; L218-V307 WeakPolarHBondContact O-CA 3.44Å; L218-L308 PolarHBondContact O-N 2.81Å
219S98.4Very high93.9Very high0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-103.2116.1164.3-179.60000108.2L229 V254 A256S219-L229 WeakPolarHBondContact OG-CD2 3.3Å; S219-V254 PolarHBondContact N-O 3.11Å; S219-A256 PolarHBondContact O-N 2.9Å
220L96.6Very high94.6Very high12 Ų1248.7 Ų48.76%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-121.499.1-174.1-175.868.5000111L218 A256 K297 L301 V319L218-L220 HydrophobicContact CD2-CB 4.44Å; L218-L220 HydrophobicContact CG-CB 4.26Å; L220-A256 VanDerWaalsContact CA-O 3.29Å; L220-A256 WeakPolarHBondContact CA-O 3.45Å; L220-A256 HydrophobicContact CD1-CB 3.86Å; L220-K297 HydrophobicContact CD1-CG 4.29Å; L220-K297 HydrophobicContact CD2-CD 3.93Å; L220-K297 HydrophobicContact CD2-CG 3.74Å; L220-L301 HydrophobicContact CD2-CD2 4.23Å; L220-V319 HydrophobicContact CB-CG1 3.96Å; L220-V319 HydrophobicContact CD2-CG1 4.08Å; L220-V319 HydrophobicContact CD2-CG2 4.19Å; L220-V319 HydrophobicContact CG-CG1 4.32Å; L220-V319 HydrophobicContact CG-CG2 4.29Å
221N94.4Very high95.2Very high13 Ų1345.7 Ų45.77%0.0723%0.231CC..SBendtrans-161.4158.1-179.1-80.1-71.6000110.1K227 L229 A256 G257 Y309 P311N221-K227 HydrophobicContact CB-CB 3.99Å; N221-K227 HydrophobicContact CB-CD 4.4Å; N221-K227 HydrophobicContact CB-CG 4.13Å; N221-L229 HydrophobicContact CB-CD2 3.64Å; N221-A256 PolarHBondContact N-O 3.28Å; N221-G257 WeakPolarHBondContact O-CA 3.42Å; N221-Y309 WeakPolarHBondContact OD1-CE2 3.26Å; N221-P311 WeakPolarHBondContact OD1-CG 3.38Å
222R93Very high95.9Very high155 Ų15536.2 Ų36.259%0.58519%0.187SC*.  trans-57.8150.4168.8-65.6-176.6179.3-177.1-1.6111E224 G258R222-E224 HydrophobicContact CB-CG 3.93Å; R222-E224 WeakPolarHBondContact CD-OE1 3.34Å; R222-E224 IonicContact NH1-OE1 2.93Å; R222-E224 PolarHBondContact O-N 3.48Å; R222-G258 WeakPolarHBondContact CA-O 3.46Å
223Y96.1Very high96.5Very high0 Ų033.4 Ų33.40%016%0.157CC..SBendtrans-73.159.6175.8-71.3-88.7000111.9L229 V255 G257 G258 Y259 N266 Y270 L273 F288 M289 R290Y223-L229 HydrophobicContact CD1-CD1 4.22Å; Y223-V255 HydrophobicContact CE1-CG1 4.18Å; Y223-V255 PolarHBondContact OH-O 2.96Å; Y223-G257 WeakPolarHBondContact CE2-O 3.44Å; Y223-G258 PolarHBondContact N-O 3.43Å; Y223-Y259 HydrophobicContact CD2-CD2 4.11Å; Y223-Y259 HydrophobicContact CD2-CG 4.47Å; Y223-Y259 HydrophobicContact CG-CD2 4.34Å; Y223-N266 WeakPolarHBondContact O-CA 3.5Å; Y223-N266 PolarHBondContact O-OD1 2.94Å; Y223-Y270 AromaticContact CD1-CD2 3.98Å; Y223-Y270 HydrophobicContact CD1-CD2 3.98Å; Y223-Y270 AromaticContact CE1-CD2 3.58Å; Y223-Y270 HydrophobicContact CE1-CD2 3.58Å; Y223-Y270 HydrophobicContact CE1-CE2 4.3Å; Y223-Y270 AromaticContact CZ-CD2 3.88Å; Y223-L273 HydrophobicContact CD1-CD1 3.92Å; Y223-L273 HydrophobicContact CE1-CD1 4.25Å; Y223-F288 HydrophobicContact CE1-CD1 4.17Å; Y223-M289 WeakPolarHBondContact CE2-O 3.47Å; Y223-M289 PolarHBondContact OH-N 2.96Å; Y223-M289 PolarHBondContact OH-O 2.77Å; Y223-R290 HydrophobicContact CE2-CG 4.33Å
224E95.1Very high96.8Very high26 Ų2635.2 Ų35.212%0.12116%0.163CC..  trans-117.7136.3-178.8-64.6170.1-176.800109.6R222 K226 K227R222-E224 HydrophobicContact CB-CG 3.93Å; R222-E224 WeakPolarHBondContact CD-OE1 3.34Å; R222-E224 IonicContact NH1-OE1 2.93Å; R222-E224 PolarHBondContact O-N 3.48Å; E224-K226 HydrophobicContact CB-CG 4.26Å; E224-K226 PolarHBondContact O-N 3.35Å; E224-K226 VanDerWaalsContact O-N 3.12Å; E224-K226 WeakPolarHBondContact OE2-CE 3.33Å; E224-K226 IonicContact OE2-NZ 3.93Å; E224-K226 PolarHBondContact OE2-NZ 2.87Å; E224-K227 HydrophobicContact CB-CG 4.11Å; E224-K227 VanDerWaalsContact O-CB 3.3Å; E224-K227 WeakPolarHBondContact O-CB 3.46Å; E224-K227 PolarHBondContact O-N 3.38Å
225R96.1Very high97Very high94 Ų9430.8 Ų30.836%0.35514%0.136SC..G310 helixtrans-58.4-34.3-173-68.2-174.9-174.595.3-8.1113.6K227 N228 E265 Q268 H269 E272R225-K227 PolarHBondContact O-N 2.86Å; R225-K227 VanDerWaalsContact O-N 3.11Å; R225-N228 PolarHBondContact O-N 3.35Å; R225-E265 IonicContact NH1-OE1 3.75Å; R225-Q268 VanDerWaalsContact NH2-OE1 3.13Å; R225-H269 HydrophobicContact CG-CB 4.21Å; R225-E272 IonicContact CZ-OE1 3.89Å; R225-E272 IonicContact CZ-OE2 3.38Å; R225-E272 IonicContact NE-OE1 2.93Å; R225-E272 PolarHBondContact NE-OE1 2.93Å; R225-E272 IonicContact NE-OE2 3.77Å; R225-E272 PolarHBondContact NE-OE2 3.45Å; R225-E272 IonicContact NH2-OE1 2.69Å; R225-E272 PolarHBondContact NH2-OE1 3.12Å; R225-E272 IonicContact NH2-OE2 3.24Å
226K93.7Very high97.1Very high141 Ų14129.2 Ų29.261%0.61313%0.128SC*.G310 helixtrans-61.5-17.8176.765.8174.8174.8178.20114E224 N228E224-K226 HydrophobicContact CB-CG 4.26Å; E224-K226 PolarHBondContact O-N 3.35Å; E224-K226 VanDerWaalsContact O-N 3.12Å; E224-K226 WeakPolarHBondContact OE2-CE 3.33Å; E224-K226 IonicContact OE2-NZ 3.93Å; E224-K226 PolarHBondContact OE2-NZ 2.87Å; K226-N228 VanDerWaalsContact C-N 3.28Å
227K95.7Very high97.2Very high16 Ų1630 Ų307%0.0714%0.136CC..G310 helixtrans-81.5-9.7177.8-57.1-63-178.8176.70112.7N221 E224 R225 L229 T310 P311 E314N221-K227 HydrophobicContact CB-CB 3.99Å; N221-K227 HydrophobicContact CB-CD 4.4Å; N221-K227 HydrophobicContact CB-CG 4.13Å; E224-K227 HydrophobicContact CB-CG 4.11Å; E224-K227 VanDerWaalsContact O-CB 3.3Å; E224-K227 WeakPolarHBondContact O-CB 3.46Å; E224-K227 PolarHBondContact O-N 3.38Å; R225-K227 PolarHBondContact O-N 2.86Å; R225-K227 VanDerWaalsContact O-N 3.11Å; K227-L229 HydrophobicContact CB-CD2 4.2Å; K227-L229 HydrophobicContact CB-CG 4.28Å; K227-L229 PolarHBondContact O-N 3.14Å; K227-T310 CarbonylContact O-C 3.59Å; K227-T310 PolarHBondContact O-OG1 2.74Å; K227-P311 HydrophobicContact CB-CG 4.14Å; K227-P311 HydrophobicContact CD-CB 4.06Å; K227-P311 HydrophobicContact CD-CG 3.63Å; K227-E314 IonicContact NZ-OE1 2.93Å; K227-E314 PolarHBondContact NZ-OE1 3.08Å; K227-E314 IonicContact NZ-OE2 3.72Å; K227-E314 PolarHBondContact NZ-OE2 3.42Å
228N97.3Very high97.2Very high60 Ų6032.4 Ų32.432%0.32115%0.15SC..  trans53.645.6173.3-166.826.2000113.8R225 K226 G230 L231 T310R225-N228 PolarHBondContact O-N 3.35Å; K226-N228 VanDerWaalsContact C-N 3.28Å; N228-G230 PolarHBondContact O-N 3.47Å; N228-L231 WeakPolarHBondContact O-CB 3.3Å; N228-L231 PolarHBondContact O-N 3.28Å; N228-T310 VanDerWaalsContact O-CB 3.24Å; N228-T310 WeakPolarHBondContact O-CB 3.38Å; N228-T310 PolarHBondContact O-OG1 2.99Å
229L97.9Very high97.1Very high1 Ų132.4 Ų32.41%0.00515%0.15CC..THydrogen-bonded Turntrans-65.5-20.7-176.1-56.5175.5000113.2S219 N221 Y223 K227 L231 A232 V255 L273S219-L229 WeakPolarHBondContact OG-CD2 3.3Å; N221-L229 HydrophobicContact CB-CD2 3.64Å; Y223-L229 HydrophobicContact CD1-CD1 4.22Å; K227-L229 HydrophobicContact CB-CD2 4.2Å; K227-L229 HydrophobicContact CB-CG 4.28Å; K227-L229 PolarHBondContact O-N 3.14Å; L229-L231 PolarHBondContact O-N 2.87Å; L229-A232 WeakPolarHBondContact O-CB 3.13Å; L229-A232 PolarHBondContact O-N 2.9Å; L229-A232 VanDerWaalsContact O-N 3.17Å; L229-V255 HydrophobicContact CD1-CG1 4.26Å; L229-L273 HydrophobicContact CB-CD1 3.8Å; L229-L273 HydrophobicContact CB-CD2 3.85Å; L229-L273 HydrophobicContact CD1-CD1 3.79Å; L229-L273 HydrophobicContact CG-CD1 4.38Å
230G98.3Very high97Very high8 Ų834.8 Ų34.88%0.08216%0.159CC..Hα-helixtrans-58.2-35.7174.300000112.9N228 A232 L233 E234N228-G230 PolarHBondContact O-N 3.47Å; G230-A232 PolarHBondContact O-N 3.13Å; G230-L233 WeakPolarHBondContact O-CA 3.36Å; G230-L233 WeakPolarHBondContact O-CB 3.43Å; G230-L233 PolarHBondContact O-N 3.35Å; G230-E234 WeakPolarHBondContact O-CG 3.4Å; G230-E234 PolarHBondContact O-N 2.95Å
231L98.8Very high97Very high2 Ų239.3 Ų39.31%0.0119%0.191CC..Hα-helixtrans-57.8-34.7177.4176.160.2000112.5N228 L229 A235 T310 V333 P353 T354 F358N228-L231 WeakPolarHBondContact O-CB 3.3Å; N228-L231 PolarHBondContact O-N 3.28Å; L229-L231 PolarHBondContact O-N 2.87Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.38Å; L231-T310 HydrophobicContact CB-CG2 3.92Å; L231-T310 HydrophobicContact CD2-CG2 4.05Å; L231-T310 HydrophobicContact CG-CG2 4.05Å; L231-V333 HydrophobicContact CD2-CG2 4.19Å; L231-P353 HydrophobicContact CD2-CB 4.26Å; L231-T354 VanDerWaalsContact CD1-C 3.42Å; L231-F358 HydrophobicContact CD2-CD2 4.1Å; L231-F358 HydrophobicContact CD2-CE1 4.48Å; L231-F358 HydrophobicContact CD2-CE2 3.81Å; L231-F358 HydrophobicContact CD2-CZ 4.02Å; L231-F358 HydrophobicContact CG-CD2 4.48Å
232A98.7Very high96.9Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-67.9-37.6176.500000112.1L229 G230 L236 L253 L308 T310L229-A232 WeakPolarHBondContact O-CB 3.13Å; L229-A232 PolarHBondContact O-N 2.9Å; L229-A232 VanDerWaalsContact O-N 3.17Å; G230-A232 PolarHBondContact O-N 3.13Å; A232-L236 PolarHBondContact O-N 3.13Å; A232-L236 VanDerWaalsContact O-N 3.1Å; A232-L253 HydrophobicContact CB-CD2 4.2Å; A232-L308 HydrophobicContact CB-CB 4.4Å; A232-L308 HydrophobicContact CB-CD1 3.92Å; A232-T310 HydrophobicContact CB-CG2 4.12Å
233L98.8Very high97Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-68.8-47176.3-60.5173.7000110.7G230 A235 L236 A237 L253 V255 L273 L276 A277 L280 L282 V286 F288G230-L233 WeakPolarHBondContact O-CA 3.36Å; G230-L233 WeakPolarHBondContact O-CB 3.43Å; G230-L233 PolarHBondContact O-N 3.35Å; L233-A235 PolarHBondContact O-N 2.92Å; L233-L236 WeakPolarHBondContact O-CB 3.4Å; L233-L236 PolarHBondContact O-N 3.24Å; L233-A237 PolarHBondContact O-N 3.05Å; L233-L253 HydrophobicContact CD2-CD2 3.93Å; L233-V255 HydrophobicContact CD2-CG2 4.26Å; L233-L273 HydrophobicContact CD1-CB 4.31Å; L233-L273 HydrophobicContact CD1-CD2 4.03Å; L233-L273 WeakPolarHBondContact CD1-O 3.22Å; L233-L276 HydrophobicContact CD1-CB 4.32Å; L233-L276 HydrophobicContact CD1-CD2 4.05Å; L233-L276 HydrophobicContact CD1-CG 4.2Å; L233-A277 HydrophobicContact CD1-CB 4.36Å; L233-A277 HydrophobicContact CD2-CB 4.35Å; L233-L280 HydrophobicContact CB-CD1 4.04Å; L233-L282 HydrophobicContact CB-CD1 4.32Å; L233-L282 VanDerWaalsContact O-CD1 3.24Å; L233-L282 WeakPolarHBondContact O-CD1 3.32Å; L233-V286 HydrophobicContact CD2-CG1 3.87Å; L233-V286 HydrophobicContact CD2-CG2 3.91Å; L233-F288 HydrophobicContact CD1-CZ 4.27Å; L233-F288 HydrophobicContact CD2-CZ 4.25Å
234E98.8Very high96.9Very high81 Ų8137.5 Ų37.538%0.37920%0.199SC..Hα-helixtrans-61.7-44.3177.9-66.4167.6-176.900111.4G230 L236 A237 V238 L280 A355G230-E234 WeakPolarHBondContact O-CG 3.4Å; G230-E234 PolarHBondContact O-N 2.95Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.93Å; E234-A237 WeakPolarHBondContact O-CB 3.17Å; E234-A237 PolarHBondContact O-N 3.16Å; E234-A237 VanDerWaalsContact O-N 3.13Å; E234-V238 WeakPolarHBondContact O-CG2 3.2Å; E234-V238 PolarHBondContact O-N 3.29Å; E234-L280 HydrophobicContact CG-CD1 4.23Å; E234-A355 HydrophobicContact CB-CB 3.76Å
235A98.8Very high96.7Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-61.5-39.8175.900000112.3L231 L233 V238 L239 F358 M362L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.38Å; L233-A235 PolarHBondContact O-N 2.92Å; A235-V238 PolarHBondContact O-N 3.1Å; A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 PolarHBondContact O-N 3.48Å; A235-F358 HydrophobicContact CB-CB 3.54Å; A235-M362 HydrophobicContact CB-SD 3.96Å
236L98.6Very high96.3Very high0 Ų041 Ų410%024%0.243CC..Hα-helixtrans-63-42.4173.1176.963.1000111.5A232 L233 E234 V238 L239 R240 V251 L253 L282 V286 M362A232-L236 PolarHBondContact O-N 3.13Å; A232-L236 VanDerWaalsContact O-N 3.1Å; L233-L236 WeakPolarHBondContact O-CB 3.4Å; L233-L236 PolarHBondContact O-N 3.24Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.93Å; L236-V238 PolarHBondContact O-N 3.41Å; L236-L239 HydrophobicContact CD1-CD2 4.45Å; L236-L239 PolarHBondContact O-N 3.19Å; L236-R240 HydrophobicContact CD1-CG 4.12Å; L236-R240 HydrophobicContact CG-CG 4.43Å; L236-R240 VanDerWaalsContact O-CG 3.24Å; L236-R240 WeakPolarHBondContact O-CG 3.46Å; L236-R240 PolarHBondContact O-N 2.7Å; L236-V251 HydrophobicContact CD1-CG1 3.66Å; L236-L253 HydrophobicContact CB-CD2 4.33Å; L236-L253 HydrophobicContact CD2-CB 3.66Å; L236-L253 HydrophobicContact CD2-CD2 4.1Å; L236-L282 HydrophobicContact CB-CD1 4.41Å; L236-L282 HydrophobicContact CD2-CD1 4.24Å; L236-L282 HydrophobicContact CD2-CD2 4.19Å; L236-L282 HydrophobicContact CG-CD1 4.41Å; L236-L282 HydrophobicContact CG-CD2 4.15Å; L236-V286 HydrophobicContact CD2-CG2 3.78Å; L236-M362 HydrophobicContact CD1-CE 4.46Å
237A98.4Very high96.2Very high21 Ų2137.2 Ų37.217%0.17423%0.228CC..Hα-helixtrans-59.3-46.3176.800000111.5L233 E234 R240 C241 L280 L282L233-A237 PolarHBondContact O-N 3.05Å; E234-A237 WeakPolarHBondContact O-CB 3.17Å; E234-A237 PolarHBondContact O-N 3.16Å; E234-A237 VanDerWaalsContact O-N 3.13Å; A237-R240 PolarHBondContact O-N 3.34Å; A237-C241 PolarHBondContact O-N 3.03Å; A237-L280 HydrophobicContact CB-CB 4.32Å; A237-L280 HydrophobicContact CB-CD1 4.34Å; A237-L280 HydrophobicContact CB-CD2 4.2Å; A237-L282 HydrophobicContact CB-CD1 4.22Å; A237-L282 HydrophobicContact CB-CD2 4.44Å
238V98.5Very high96Very high51 Ų5140.8 Ų40.831%0.30924%0.241SC..Hα-helixtrans-62.3-45.2176.8176.70000111.2E234 A235 L236 R240 C241 A355E234-V238 WeakPolarHBondContact O-CG2 3.2Å; E234-V238 PolarHBondContact O-N 3.29Å; A235-V238 PolarHBondContact O-N 3.1Å; L236-V238 PolarHBondContact O-N 3.41Å; V238-R240 VanDerWaalsContact C-N 3.31Å; V238-R240 PolarHBondContact O-N 3.47Å; V238-C241 WeakPolarHBondContact O-CB 3.38Å; V238-C241 PolarHBondContact O-N 2.9Å; V238-C241 VanDerWaalsContact O-N 3.12Å; V238-A355 HydrophobicContact CG2-CB 3.8Å
239L98.2Very high95.7Very high0 Ų041.8 Ų41.80%026%0.258CS..Hα-helixtrans-59.2-42.7178.6174.467000111.6F217 A235 L236 C241 S242 L243 V251 S359 M362 E363 I366F217-L239 HydrophobicContact CE2-CD2 4.05Å; F217-L239 HydrophobicContact CZ-CD2 4.45Å; A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 PolarHBondContact O-N 3.48Å; L236-L239 HydrophobicContact CD1-CD2 4.45Å; L236-L239 PolarHBondContact O-N 3.19Å; L239-C241 PolarHBondContact O-N 3.1Å; L239-S242 PolarHBondContact O-N 3.03Å; L239-S242 PolarHBondContact O-OG 3.19Å; L239-L243 HydrophobicContact CD1-CD1 4.09Å; L239-L243 HydrophobicContact CD1-CD2 4.38Å; L239-L243 HydrophobicContact CD1-CG 4.11Å; L239-L243 HydrophobicContact CD2-CD1 4.31Å; L239-L243 HydrophobicContact CG-CD1 3.84Å; L239-L243 HydrophobicContact CG-CG 4.25Å; L239-L243 WeakPolarHBondContact O-CG 3.25Å; L239-L243 PolarHBondContact O-N 3.13Å; L239-V251 HydrophobicContact CD2-CG1 4.26Å; L239-S359 WeakPolarHBondContact CA-OG 3.41Å; L239-S359 WeakPolarHBondContact CB-OG 2.92Å; L239-S359 PolarHBondContact N-OG 2.81Å; L239-M362 HydrophobicContact CD1-CB 4.41Å; L239-M362 HydrophobicContact CD2-CB 3.89Å; L239-M362 HydrophobicContact CD2-CE 3.63Å; L239-M362 HydrophobicContact CD2-SD 4.32Å; L239-E363 HydrophobicContact CD1-CB 3.69Å; L239-E363 HydrophobicContact CD1-CG 4.26Å; L239-I366 HydrophobicContact CD1-CD1 4.22Å; L239-I366 HydrophobicContact CD2-CD1 3.81Å; L239-I366 HydrophobicContact CG-CD1 4.47Å
240R96.2Very high95.5Very high49 Ų4941.9 Ų41.919%0.18526%0.259CS..Hα-helixtrans-61.7-29.3-179.1-71.5174.673.574.9-4.3112.1L236 A237 V238 S242 R248 L282L236-R240 HydrophobicContact CD1-CG 4.12Å; L236-R240 HydrophobicContact CG-CG 4.43Å; L236-R240 VanDerWaalsContact O-CG 3.24Å; L236-R240 WeakPolarHBondContact O-CG 3.46Å; L236-R240 PolarHBondContact O-N 2.7Å; A237-R240 PolarHBondContact O-N 3.34Å; V238-R240 VanDerWaalsContact C-N 3.31Å; V238-R240 PolarHBondContact O-N 3.47Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-R248 HydrophobicContact CB-CG 4.25Å; R240-R248 HydrophobicContact CG-CG 4.13Å; R240-R248 PolarHBondContact NH1-O 3.26Å; R240-R248 VanDerWaalsContact NH2-CG 3.3Å; R240-R248 VanDerWaalsContact O-CZ 3.23Å; R240-R248 PolarHBondContact O-NE 2.78Å; R240-R248 PolarHBondContact O-NH2 3.2Å; R240-L282 VanDerWaalsContact CD-CD2 3.44Å
241C95.4Very high95.5Very high108 Ų10841.7 Ų41.773%0.7326%0.256SS*.Hα-helixtrans-69.6-26.8174.8-66.80000113.2A237 V238 L239A237-C241 PolarHBondContact O-N 3.03Å; V238-C241 WeakPolarHBondContact O-CB 3.38Å; V238-C241 PolarHBondContact O-N 2.9Å; V238-C241 VanDerWaalsContact O-N 3.12Å; L239-C241 PolarHBondContact O-N 3.1Å
242S92.7Very high95.4Very high50 Ų5041.9 Ų41.935%0.3526%0.257SS..Hα-helixtrans-89.7-12.4177.872.20000114.2L239 R240 E363L239-S242 PolarHBondContact O-N 3.03Å; L239-S242 PolarHBondContact O-OG 3.19Å; R240-S242 VanDerWaalsContact C-N 3.33Å; S242-E363 WeakPolarHBondContact CB-OE2 3.49Å; S242-E363 PolarHBondContact OG-OE2 3.14Å
243L94.8Very high95.4Very high9 Ų941.9 Ų41.95%0.04726%0.257CS..SBendtrans-94.2148.7-177.7-65.1179.4000113.7L239 Q247 R248 V251 I366L239-L243 HydrophobicContact CD1-CD1 4.09Å; L239-L243 HydrophobicContact CD1-CD2 4.38Å; L239-L243 HydrophobicContact CD1-CG 4.11Å; L239-L243 HydrophobicContact CD2-CD1 4.31Å; L239-L243 HydrophobicContact CG-CD1 3.84Å; L239-L243 HydrophobicContact CG-CG 4.25Å; L239-L243 WeakPolarHBondContact O-CG 3.25Å; L239-L243 PolarHBondContact O-N 3.13Å; L243-Q247 HydrophobicContact CB-CB 4.14Å; L243-Q247 HydrophobicContact CD1-CB 4.49Å; L243-Q247 HydrophobicContact CD2-CB 4.3Å; L243-R248 HydrophobicContact CB-CB 4.44Å; L243-V251 HydrophobicContact CD1-CG2 3.74Å; L243-I366 HydrophobicContact CD1-CD1 4.08Å
244T93.5Very high95.4Very high71 Ų7141.9 Ų41.944%0.43626%0.257SS..  trans-65.3156.1169.563.90000111.2A246 Q247 R248T244-A246 PolarHBondContact O-N 2.86Å; T244-Q247 PolarHBondContact O-N 2.99Å; T244-Q247 VanDerWaalsContact O-N 3.14Å; T244-Q247 VanDerWaalsContact OG1-CG 3.3Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.35Å; T244-Q247 PolarHBondContact OG1-N 3.21Å; T244-Q247 PolarHBondContact OG1-OE1 3.09Å; T244-R248 VanDerWaalsContact O-CB 3.29Å; T244-R248 WeakPolarHBondContact O-CB 3.46Å; T244-R248 PolarHBondContact O-N 2.91Å
245P91.7Very high95.4Very high106 Ų10638 Ų3869%0.68824%0.239SC*.Hα-helixtrans-53.8-38.1178.6-28.335.8000114.1R248 A249P245-R248 PolarHBondContact O-N 3.41Å; P245-A249 PolarHBondContact O-N 2.97Å; P245-A249 VanDerWaalsContact O-N 3.15Å
246A88.6Confident95.3Very high86 Ų8638 Ų3871%0.71124%0.239SC*.Hα-helixtrans-67.3-44.8178.500000112.3T244 A249T244-A246 PolarHBondContact O-N 2.86Å; A246-A249 PolarHBondContact O-N 2.81Å
247Q90.6Very high95.1Very high62 Ų6238.1 Ų38.129%0.2924%0.24SC..Hα-helixtrans-65.3-42.5175.8-71.6169.2-52.800111L243 T244 A249 G250 V251L243-Q247 HydrophobicContact CB-CB 4.14Å; L243-Q247 HydrophobicContact CD1-CB 4.49Å; L243-Q247 HydrophobicContact CD2-CB 4.3Å; T244-Q247 PolarHBondContact O-N 2.99Å; T244-Q247 VanDerWaalsContact O-N 3.14Å; T244-Q247 VanDerWaalsContact OG1-CG 3.3Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.35Å; T244-Q247 PolarHBondContact OG1-N 3.21Å; T244-Q247 PolarHBondContact OG1-OE1 3.09Å; Q247-A249 VanDerWaalsContact C-N 3.25Å; Q247-A249 PolarHBondContact O-N 3.46Å; Q247-G250 PolarHBondContact O-N 2.77Å; Q247-V251 WeakPolarHBondContact O-CG2 3.37Å
248R92.6Very high94.7Very high91 Ų9138.7 Ų38.734%0.34325%0.248SC..Hα-helixtrans-58.3-35.9180-177.1-173.1-63173.43.2112.5R240 L243 T244 P245 G250 V251R240-R248 HydrophobicContact CB-CG 4.25Å; R240-R248 HydrophobicContact CG-CG 4.13Å; R240-R248 PolarHBondContact NH1-O 3.26Å; R240-R248 VanDerWaalsContact NH2-CG 3.3Å; R240-R248 VanDerWaalsContact O-CZ 3.23Å; R240-R248 PolarHBondContact O-NE 2.78Å; R240-R248 PolarHBondContact O-NH2 3.2Å; L243-R248 HydrophobicContact CB-CB 4.44Å; T244-R248 VanDerWaalsContact O-CB 3.29Å; T244-R248 WeakPolarHBondContact O-CB 3.46Å; T244-R248 PolarHBondContact O-N 2.91Å; P245-R248 PolarHBondContact O-N 3.41Å; R248-G250 VanDerWaalsContact C-N 3.25Å; R248-G250 PolarHBondContact O-N 3.3Å; R248-V251 PolarHBondContact O-N 3.16Å
249A90.6Very high94.5Very high81 Ų8137.6 Ų37.667%0.66924%0.238SC*.Hα-helixtrans-67.3-26178.400000113P245 A246 Q247P245-A249 PolarHBondContact O-N 2.97Å; P245-A249 VanDerWaalsContact O-N 3.15Å; A246-A249 PolarHBondContact O-N 2.81Å; Q247-A249 VanDerWaalsContact C-N 3.25Å; Q247-A249 PolarHBondContact O-N 3.46Å
250G93.9Very high94.2Very high4 Ų440 Ų404%0.04125%0.251CS..THydrogen-bonded Turntrans-92.7-1.9-179.200000115.3T214 H215 Q247 R248T214-G250 PolarHBondContact N-O 2.87Å; T214-G250 WeakPolarHBondContact OG1-CA 3.25Å; T214-G250 PolarHBondContact OG1-O 2.91Å; H215-G250 PolarHBondContact N-O 2.56Å; Q247-G250 PolarHBondContact O-N 2.77Å; R248-G250 VanDerWaalsContact C-N 3.25Å; R248-G250 PolarHBondContact O-N 3.3Å
251V97.1Very high94Very high3 Ų343 Ų432%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-98126.3-178.3177.90000110.5H215 F217 L236 L239 L243 Q247 R248 I366H215-V251 HydrophobicContact CB-CG2 4.13Å; H215-V251 WeakPolarHBondContact O-CA 3.36Å; F217-V251 HydrophobicContact CD2-CG1 3.99Å; F217-V251 HydrophobicContact CE2-CG1 3.94Å; L236-V251 HydrophobicContact CD1-CG1 3.66Å; L239-V251 HydrophobicContact CD2-CG1 4.26Å; L243-V251 HydrophobicContact CD1-CG2 3.74Å; Q247-V251 WeakPolarHBondContact O-CG2 3.37Å; R248-V251 PolarHBondContact O-N 3.16Å; V251-I366 HydrophobicContact CG2-CD1 3.91Å
252H97.8Very high93.9Very high6 Ų647.9 Ų47.93%0.02827%0.274CS..EExtended strand (participates in β ladder)trans-134.2144.9179.8-159.782000111.4V213 H215 L216 F217 C285 T287V213-H252 HydrophobicContact CB-CB 4.44Å; V213-H252 HydrophobicContact CG1-CB 3.76Å; V213-H252 HydrophobicContact CG2-CB 3.74Å; H215-H252 PolarHBondContact O-N 3.3Å; L216-H252 CarbonylContact C-O 3.49Å; L216-H252 WeakPolarHBondContact CA-O 3.2Å; F217-H252 PolarHBondContact N-O 3.31Å; H252-C285 VanDerWaalsContact CE1-C 3.43Å; H252-C285 WeakPolarHBondContact ND1-CA 3.4Å; H252-C285 PolarHBondContact ND1-O 2.72Å; H252-T287 PolarHBondContact NE2-OG1 2.91Å
253L98.5Very high93.8Very high0 Ų048.4 Ų48.40%028%0.275CS..EExtended strand (participates in β ladder)trans-116.1127.9174.4170.864.1000110.4F217 A232 L233 L236 V255 C285 V286 T287 L308F217-L253 HydrophobicContact CB-CD1 3.95Å; F217-L253 CarbonylContact O-C 3.29Å; F217-L253 WeakPolarHBondContact O-CA 3.44Å; A232-L253 HydrophobicContact CB-CD2 4.2Å; L233-L253 HydrophobicContact CD2-CD2 3.93Å; L236-L253 HydrophobicContact CB-CD2 4.33Å; L236-L253 HydrophobicContact CD2-CB 3.66Å; L236-L253 HydrophobicContact CD2-CD2 4.1Å; L253-V255 HydrophobicContact CD2-CG2 4.17Å; L253-V255 HydrophobicContact CG-CG2 4.1Å; L253-C285 PolarHBondContact N-O 2.9Å; L253-V286 HydrophobicContact CB-CG2 4.29Å; L253-V286 HydrophobicContact CD2-CG2 4.43Å; L253-V286 CarbonylContact O-C 3.51Å; L253-V286 VanDerWaalsContact O-CA 3.25Å; L253-V286 WeakPolarHBondContact O-CA 3.28Å; L253-T287 PolarHBondContact O-N 3.29Å; L253-L308 HydrophobicContact CD1-CD1 4.13Å
254V98.4Very high93.8Very high0 Ų052.5 Ų52.50%030%0.301CS..EExtended strand (participates in β ladder)trans-99.9124.6166.1172.60000108.8L209 L216 F217 L218 S219 A256 T287 M289 L300L209-V254 HydrophobicContact CD2-CG2 3.49Å; L209-V254 VanDerWaalsContact CD2-CG2 3.49Å; L216-V254 HydrophobicContact CD1-CB 4.33Å; L216-V254 HydrophobicContact CD1-CG2 3.65Å; F217-V254 PolarHBondContact O-N 2.65Å; L218-V254 WeakPolarHBondContact CA-O 3.47Å; L218-V254 HydrophobicContact CD1-CB 3.95Å; L218-V254 HydrophobicContact CD1-CG1 3.79Å; S219-V254 PolarHBondContact N-O 3.11Å; V254-A256 HydrophobicContact CG1-CB 3.96Å; V254-T287 CarbonylContact C-O 3.54Å; V254-T287 WeakPolarHBondContact CA-O 3.1Å; V254-M289 HydrophobicContact CG1-CE 4.05Å; V254-M289 HydrophobicContact CG1-CG 4.05Å; V254-M289 HydrophobicContact CG1-SD 3.84Å; V254-M289 HydrophobicContact CG2-CE 4.12Å; V254-L300 HydrophobicContact CG1-CD1 4.18Å; V254-L300 HydrophobicContact CG1-CD2 4.26Å; V254-L300 HydrophobicContact CG2-CD2 4.25Å
255V98.3Very high93.9Very high1 Ų152.9 Ų52.91%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-102.2106.6168-177.10000106.9Y223 L229 L233 L253 V286 T287 F288 M289Y223-V255 HydrophobicContact CE1-CG1 4.18Å; Y223-V255 PolarHBondContact OH-O 2.96Å; L229-V255 HydrophobicContact CD1-CG1 4.26Å; L233-V255 HydrophobicContact CD2-CG2 4.26Å; L253-V255 HydrophobicContact CD2-CG2 4.17Å; L253-V255 HydrophobicContact CG-CG2 4.1Å; V255-V286 HydrophobicContact CG2-CG1 4.3Å; V255-T287 PolarHBondContact N-O 3.13Å; V255-F288 HydrophobicContact CB-CD1 3.68Å; V255-F288 HydrophobicContact CB-CE1 3.87Å; V255-F288 HydrophobicContact CG1-CD1 3.95Å; V255-F288 HydrophobicContact CG1-CE1 4.05Å; V255-F288 HydrophobicContact CG2-CD1 4.25Å; V255-F288 HydrophobicContact CG2-CE1 3.97Å; V255-F288 CarbonylContact O-C 3.56Å; V255-F288 WeakPolarHBondContact O-CA 3.13Å; V255-M289 PolarHBondContact O-N 3.08Å
256A97.1Very high94.1Very high0 Ų048.3 Ų48.30%027%0.267CS..EExtended strand (participates in β ladder)trans-120.2142.6-174.800000110.7L218 S219 L220 N221 V254 M289 P292 L300L218-A256 HydrophobicContact CD1-CB 4.13Å; S219-A256 PolarHBondContact O-N 2.9Å; L220-A256 VanDerWaalsContact CA-O 3.29Å; L220-A256 WeakPolarHBondContact CA-O 3.45Å; L220-A256 HydrophobicContact CD1-CB 3.86Å; N221-A256 PolarHBondContact N-O 3.28Å; V254-A256 HydrophobicContact CG1-CB 3.96Å; A256-M289 WeakPolarHBondContact CA-O 3.5Å; A256-M289 HydrophobicContact CB-CB 4.11Å; A256-P292 HydrophobicContact CB-CG 4.24Å; A256-L300 HydrophobicContact CB-CD1 4.37Å
257G93.5Very high94.5Very high2 Ų246.2 Ų46.22%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-176.3153.5-171.900000116.3N221 Y223 Y259 M289 S291N221-G257 WeakPolarHBondContact O-CA 3.42Å; Y223-G257 WeakPolarHBondContact CE2-O 3.44Å; G257-Y259 PolarHBondContact O-N 2.64Å; G257-M289 PolarHBondContact N-O 3.45Å; G257-S291 WeakPolarHBondContact O-CA 3.43Å; G257-S291 PolarHBondContact O-N 3.17Å
258G91.4Very high94.9Very high32 Ų3247.7 Ų47.733%0.3325%0.252SS..  trans-58.4129.3167.600000110.7R222 Y223R222-G258 WeakPolarHBondContact CA-O 3.46Å; Y223-G258 PolarHBondContact N-O 3.43Å
259Y93.8Very high95.1Very high28 Ų2844 Ų4411%0.1124%0.239CC..  trans-140.8133-177.1177.4-83.9000108.7Y223 G257 D261 N266 Y270 R290 S291Y223-Y259 HydrophobicContact CD2-CD2 4.11Å; Y223-Y259 HydrophobicContact CD2-CG 4.47Å; Y223-Y259 HydrophobicContact CG-CD2 4.34Å; G257-Y259 PolarHBondContact O-N 2.64Å; Y259-D261 WeakPolarHBondContact CE1-OD1 3.29Å; Y259-D261 PolarHBondContact OH-OD1 2.75Å; Y259-N266 HydrophobicContact CD2-CB 4.12Å; Y259-N266 HydrophobicContact CE2-CB 4.39Å; Y259-Y270 HydrophobicContact CD2-CD2 4.44Å; Y259-Y270 HydrophobicContact CE2-CD2 4.41Å; Y259-Y270 HydrophobicContact CE2-CG 4.11Å; Y259-R290 HydrophobicContact CD1-CB 4.18Å; Y259-R290 HydrophobicContact CD1-CG 4.18Å; Y259-R290 HydrophobicContact CD2-CG 4.07Å; Y259-R290 HydrophobicContact CG-CB 4.05Å; Y259-R290 HydrophobicContact CG-CG 3.85Å; Y259-S291 PolarHBondContact N-OG 3.11Å; Y259-S291 PolarHBondContact O-OG 3.1Å
260D91.7Very high95.5Very high51 Ų5142.3 Ų42.327%0.27322%0.216SC..  trans-134.9119.6176.7-170.5-29000108.7R262 V263 N266D260-R262 PolarHBondContact O-N 3.11Å; D260-R262 VanDerWaalsContact O-N 3.13Å; D260-R262 VanDerWaalsContact OD1-CB 3.26Å; D260-R262 WeakPolarHBondContact OD1-CB 3.28Å; D260-R262 WeakPolarHBondContact OD1-CG 3.5Å; D260-R262 IonicContact OD1-CZ 3.68Å; D260-R262 PolarHBondContact OD1-N 3.18Å; D260-R262 IonicContact OD1-NE 3.04Å; D260-R262 PolarHBondContact OD1-NE 3.03Å; D260-R262 IonicContact OD1-NH2 3.82Å; D260-R262 IonicContact OD2-CZ 2.78Å; D260-R262 IonicContact OD2-NE 3.95Å; D260-R262 PolarHBondContact OD2-NE 3.43Å; D260-R262 IonicContact OD2-NH2 2.69Å; D260-R262 PolarHBondContact OD2-NH2 2.94Å; D260-V263 HydrophobicContact CB-CB 4.42Å; D260-V263 HydrophobicContact CB-CG2 3.99Å; D260-V263 PolarHBondContact O-N 3.5Å; D260-N266 PolarHBondContact N-ND2 3.49Å
261D92.5Very high95.7Very high113 Ų11345.9 Ų45.960%0.60423%0.234SC*.THydrogen-bonded Turntrans-61.3-18.9-180-70.9-64.5000113.3Y259 V263Y259-D261 WeakPolarHBondContact CE1-OD1 3.29Å; Y259-D261 PolarHBondContact OH-OD1 2.75Å; D261-V263 VanDerWaalsContact C-N 3.32Å
262R92.7Very high95.7Very high209 Ų20949.4 Ų49.479%0.78925%0.25SC*.THydrogen-bonded Turntrans-81-15.1177-60.2167.8-73.1-176.80.1112.3D260D260-R262 PolarHBondContact O-N 3.11Å; D260-R262 VanDerWaalsContact O-N 3.13Å; D260-R262 VanDerWaalsContact OD1-CB 3.26Å; D260-R262 WeakPolarHBondContact OD1-CB 3.28Å; D260-R262 WeakPolarHBondContact OD1-CG 3.5Å; D260-R262 IonicContact OD1-CZ 3.68Å; D260-R262 PolarHBondContact OD1-N 3.18Å; D260-R262 IonicContact OD1-NE 3.04Å; D260-R262 PolarHBondContact OD1-NE 3.03Å; D260-R262 IonicContact OD1-NH2 3.82Å; D260-R262 IonicContact OD2-CZ 2.78Å; D260-R262 IonicContact OD2-NE 3.95Å; D260-R262 PolarHBondContact OD2-NE 3.43Å; D260-R262 IonicContact OD2-NH2 2.69Å; D260-R262 PolarHBondContact OD2-NH2 2.94Å
263V90.8Very high95.7Very high62 Ų6249.2 Ų49.238%0.37625%0.249SC..  trans-98.7104.1179.1178.90000108.7D260 D261 E265 N266 V267D260-V263 HydrophobicContact CB-CB 4.42Å; D260-V263 HydrophobicContact CB-CG2 3.99Å; D260-V263 PolarHBondContact O-N 3.5Å; D261-V263 VanDerWaalsContact C-N 3.32Å; V263-E265 HydrophobicContact CG1-CB 4.38Å; V263-E265 PolarHBondContact O-N 2.93Å; V263-E265 VanDerWaalsContact O-N 3.12Å; V263-N266 HydrophobicContact CB-CB 4.26Å; V263-N266 WeakPolarHBondContact CB-ND2 3.28Å; V263-N266 HydrophobicContact CG1-CB 4.35Å; V263-N266 WeakPolarHBondContact O-CB 3.43Å; V263-N266 PolarHBondContact O-N 3.36Å; V263-V267 PolarHBondContact O-N 3.33Å
264T95.1Very high95.7Very high95 Ų9551.2 Ų51.258%0.58326%0.262SS*.Hα-helixtrans-52.2-38.1-177-50.30000113.3V267 Q268T264-V267 PolarHBondContact O-N 2.9Å; T264-Q268 HydrophobicContact CG2-CG 4.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.31Å; T264-Q268 PolarHBondContact O-N 3.1Å
265E95.4Very high95.7Very high78 Ų7856.6 Ų56.636%0.36429%0.287SS..Hα-helixtrans-62.7-41.8178177.4167.2-144.900112.6R225 V263 V267 Q268 H269R225-E265 IonicContact NH1-OE1 3.75Å; V263-E265 HydrophobicContact CG1-CB 4.38Å; V263-E265 PolarHBondContact O-N 2.93Å; V263-E265 VanDerWaalsContact O-N 3.12Å; E265-V267 VanDerWaalsContact C-N 3.35Å; E265-V267 PolarHBondContact O-N 2.94Å; E265-Q268 PolarHBondContact O-N 3.43Å; E265-H269 VanDerWaalsContact O-CB 3.24Å; E265-H269 WeakPolarHBondContact O-CB 3.37Å; E265-H269 PolarHBondContact O-N 2.87Å
266N96.1Very high95.7Very high10 Ų1058.2 Ų58.25%0.05330%0.295CS..Hα-helixtrans-61.1-45.6179.3-72.3-23.4000111.2Y223 Y259 D260 V263 Y270Y223-N266 WeakPolarHBondContact O-CA 3.5Å; Y223-N266 PolarHBondContact O-OD1 2.94Å; Y259-N266 HydrophobicContact CD2-CB 4.12Å; Y259-N266 HydrophobicContact CE2-CB 4.39Å; D260-N266 PolarHBondContact N-ND2 3.49Å; V263-N266 HydrophobicContact CB-CB 4.26Å; V263-N266 WeakPolarHBondContact CB-ND2 3.28Å; V263-N266 HydrophobicContact CG1-CB 4.35Å; V263-N266 WeakPolarHBondContact O-CB 3.43Å; V263-N266 PolarHBondContact O-N 3.36Å; N266-Y270 VanDerWaalsContact O-CB 3.26Å; N266-Y270 WeakPolarHBondContact O-CB 3.41Å; N266-Y270 PolarHBondContact O-N 3.49Å
267V97.1Very high95.8Very high43 Ų4358.4 Ų58.426%0.26130%0.296SS..Hα-helixtrans-63.7-50-180-175.80000110.9V263 T264 E265 N271V263-V267 PolarHBondContact O-N 3.33Å; T264-V267 PolarHBondContact O-N 2.9Å; E265-V267 VanDerWaalsContact C-N 3.35Å; E265-V267 PolarHBondContact O-N 2.94Å; V267-N271 PolarHBondContact O-N 3Å; V267-N271 PolarHBondContact O-ND2 3.4Å
268Q98Very high96Very high92 Ų9262.6 Ų62.643%0.4332%0.316SS..Hα-helixtrans-63.5-47-179.2-72.1177.2-11.400111.6R225 T264 E265 Y270 N271 E272R225-Q268 VanDerWaalsContact NH2-OE1 3.13Å; T264-Q268 HydrophobicContact CG2-CG 4.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.31Å; T264-Q268 PolarHBondContact O-N 3.1Å; E265-Q268 PolarHBondContact O-N 3.43Å; Q268-Y270 VanDerWaalsContact C-N 3.35Å; Q268-Y270 PolarHBondContact O-N 3.22Å; Q268-N271 PolarHBondContact O-N 3.44Å; Q268-E272 WeakPolarHBondContact O-CG 3.3Å; Q268-E272 PolarHBondContact O-N 2.95Å
269H98Very high96.3Very high15 Ų1567.5 Ų67.57%0.06933%0.33CS..Hα-helixtrans-68.7-34.8-176.3-167.345.8000112.5R225 E265 N271 E272 L273R225-H269 HydrophobicContact CG-CB 4.21Å; E265-H269 VanDerWaalsContact O-CB 3.24Å; E265-H269 WeakPolarHBondContact O-CB 3.37Å; E265-H269 PolarHBondContact O-N 2.87Å; H269-N271 VanDerWaalsContact C-N 3.32Å; H269-N271 PolarHBondContact O-N 3.32Å; H269-E272 IonicContact CE1-OE2 3.15Å; H269-E272 IonicContact CG-OE2 3.28Å; H269-E272 IonicContact ND1-OE2 2.76Å; H269-E272 PolarHBondContact ND1-OE2 2.77Å; H269-E272 PolarHBondContact O-N 3.49Å; H269-L273 VanDerWaalsContact O-CG 3.25Å; H269-L273 WeakPolarHBondContact O-CG 3.48Å; H269-L273 PolarHBondContact O-N 3.3Å
270Y97.9Very high96.5Very high45 Ų4568.8 Ų68.818%0.17634%0.338CS..Hα-helixtrans-57-44.8170.7175.8-85.8000112.1Y223 Y259 N266 Q268 L273 T274 F288 R290Y223-Y270 AromaticContact CD1-CD2 3.98Å; Y223-Y270 HydrophobicContact CD1-CD2 3.98Å; Y223-Y270 AromaticContact CE1-CD2 3.58Å; Y223-Y270 HydrophobicContact CE1-CD2 3.58Å; Y223-Y270 HydrophobicContact CE1-CE2 4.3Å; Y223-Y270 AromaticContact CZ-CD2 3.88Å; Y259-Y270 HydrophobicContact CD2-CD2 4.44Å; Y259-Y270 HydrophobicContact CE2-CD2 4.41Å; Y259-Y270 HydrophobicContact CE2-CG 4.11Å; N266-Y270 VanDerWaalsContact O-CB 3.26Å; N266-Y270 WeakPolarHBondContact O-CB 3.41Å; N266-Y270 PolarHBondContact O-N 3.49Å; Q268-Y270 VanDerWaalsContact C-N 3.35Å; Q268-Y270 PolarHBondContact O-N 3.22Å; Y270-L273 PolarHBondContact O-N 2.96Å; Y270-T274 PolarHBondContact O-N 2.89Å; Y270-T274 PolarHBondContact O-OG1 3.12Å; Y270-F288 HydrophobicContact CE2-CB 3.73Å; Y270-F288 HydrophobicContact CE2-CG 4.33Å; Y270-R290 HydrophobicContact CD2-CG 3.99Å; Y270-R290 HydrophobicContact CE2-CG 3.69Å
271N97.8Very high96.8Very high78 Ų7874.3 Ų74.342%0.41736%0.362SS..Hα-helixtrans-66.6-44.7177.9-66.4-25.5000111.4V267 Q268 H269 L273 T274 E275V267-N271 PolarHBondContact O-N 3Å; V267-N271 PolarHBondContact O-ND2 3.4Å; Q268-N271 PolarHBondContact O-N 3.44Å; H269-N271 VanDerWaalsContact C-N 3.32Å; H269-N271 PolarHBondContact O-N 3.32Å; N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 3.37Å; N271-T274 PolarHBondContact O-N 3.27Å; N271-T274 VanDerWaalsContact O-N 3.1Å; N271-E275 WeakPolarHBondContact O-CG 3.42Å; N271-E275 PolarHBondContact O-N 2.89Å
272E98.3Very high97Very high77 Ų7769.1 Ų69.136%0.3633%0.334SS..Hα-helixtrans-54.3-44.2175.1-70.3164.5-175.500111.8R225 Q268 H269 L276R225-E272 IonicContact CZ-OE1 3.89Å; R225-E272 IonicContact CZ-OE2 3.38Å; R225-E272 IonicContact NE-OE1 2.93Å; R225-E272 PolarHBondContact NE-OE1 2.93Å; R225-E272 IonicContact NE-OE2 3.77Å; R225-E272 PolarHBondContact NE-OE2 3.45Å; R225-E272 IonicContact NH2-OE1 2.69Å; R225-E272 PolarHBondContact NH2-OE1 3.12Å; R225-E272 IonicContact NH2-OE2 3.24Å; Q268-E272 WeakPolarHBondContact O-CG 3.3Å; Q268-E272 PolarHBondContact O-N 2.95Å; H269-E272 IonicContact CE1-OE2 3.15Å; H269-E272 IonicContact CG-OE2 3.28Å; H269-E272 IonicContact ND1-OE2 2.76Å; H269-E272 PolarHBondContact ND1-OE2 2.77Å; H269-E272 PolarHBondContact O-N 3.49Å; E272-L276 WeakPolarHBondContact O-CB 3.49Å; E272-L276 PolarHBondContact O-N 3.29Å
273L98.3Very high96.9Very high3 Ų367.4 Ų67.42%0.01633%0.328CS..Hα-helixtrans-69.1-36178.5-68.3167.8000112.5Y223 L229 L233 H269 Y270 N271 L276 A277 F288Y223-L273 HydrophobicContact CD1-CD1 3.92Å; Y223-L273 HydrophobicContact CE1-CD1 4.25Å; L229-L273 HydrophobicContact CB-CD1 3.8Å; L229-L273 HydrophobicContact CB-CD2 3.85Å; L229-L273 HydrophobicContact CD1-CD1 3.79Å; L229-L273 HydrophobicContact CG-CD1 4.38Å; L233-L273 HydrophobicContact CD1-CB 4.31Å; L233-L273 HydrophobicContact CD1-CD2 4.03Å; L233-L273 WeakPolarHBondContact CD1-O 3.22Å; H269-L273 VanDerWaalsContact O-CG 3.25Å; H269-L273 WeakPolarHBondContact O-CG 3.48Å; H269-L273 PolarHBondContact O-N 3.3Å; Y270-L273 PolarHBondContact O-N 2.96Å; N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 3.37Å; L273-L276 PolarHBondContact O-N 2.87Å; L273-A277 WeakPolarHBondContact O-CB 3.45Å; L273-A277 PolarHBondContact O-N 3.35Å; L273-F288 HydrophobicContact CB-CE1 3.77Å; L273-F288 HydrophobicContact CB-CZ 4.1Å; L273-F288 WeakPolarHBondContact O-CZ 3.32Å
274T97.9Very high96.9Very high42 Ų4271.5 Ų71.526%0.25835%0.348SS..Hα-helixtrans-66.6-45.5176.6-55.90000110.5Y270 N271 L276 A277 E278Y270-T274 PolarHBondContact O-N 2.89Å; Y270-T274 PolarHBondContact O-OG1 3.12Å; N271-T274 PolarHBondContact O-N 3.27Å; N271-T274 VanDerWaalsContact O-N 3.1Å; T274-L276 PolarHBondContact O-N 3.12Å; T274-A277 PolarHBondContact O-N 2.97Å; T274-E278 PolarHBondContact O-N 3.25Å; T274-E278 VanDerWaalsContact O-N 3.1Å
275E98.3Very high96.9Very high112 Ų11267.3 Ų67.352%0.52332%0.322SS..Hα-helixtrans-61-42.8174.6-71.5173.9-169.500111.7N271 A277 E278 Q279N271-E275 WeakPolarHBondContact O-CG 3.42Å; N271-E275 PolarHBondContact O-N 2.89Å; E275-A277 VanDerWaalsContact C-N 3.34Å; E275-A277 PolarHBondContact O-N 2.98Å; E275-E278 PolarHBondContact O-N 3.15Å; E275-E278 VanDerWaalsContact O-N 3.16Å; E275-Q279 WeakPolarHBondContact O-CG 3.26Å; E275-Q279 PolarHBondContact O-N 2.85Å
276L98.4Very high97Very high36 Ų3664.2 Ų64.219%0.18831%0.309CS..Hα-helixtrans-61.2-41.9175.6-18059.5000111.7L233 E272 L273 T274 E278 Q279 L280L233-L276 HydrophobicContact CD1-CB 4.32Å; L233-L276 HydrophobicContact CD1-CD2 4.05Å; L233-L276 HydrophobicContact CD1-CG 4.2Å; E272-L276 WeakPolarHBondContact O-CB 3.49Å; E272-L276 PolarHBondContact O-N 3.29Å; L273-L276 PolarHBondContact O-N 2.87Å; T274-L276 PolarHBondContact O-N 3.12Å; L276-E278 VanDerWaalsContact C-N 3.28Å; L276-E278 PolarHBondContact O-N 2.76Å; L276-Q279 PolarHBondContact O-N 2.79Å; L276-L280 HydrophobicContact CD1-CD1 3.91Å; L276-L280 HydrophobicContact CD1-CG 4.05Å; L276-L280 HydrophobicContact CG-CD1 3.93Å; L276-L280 HydrophobicContact CG-CG 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.45Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.29Å; L276-L280 PolarHBondContact O-N 3Å
277A98.4Very high97Very high3 Ų365.4 Ų65.43%0.02532%0.316CS..Hα-helixtrans-62.7-34.9175.800000112.3L233 L273 T274 E275 H281 L282 F288L233-A277 HydrophobicContact CD1-CB 4.36Å; L233-A277 HydrophobicContact CD2-CB 4.35Å; L273-A277 WeakPolarHBondContact O-CB 3.45Å; L273-A277 PolarHBondContact O-N 3.35Å; T274-A277 PolarHBondContact O-N 2.97Å; E275-A277 VanDerWaalsContact C-N 3.34Å; E275-A277 PolarHBondContact O-N 2.98Å; A277-H281 PolarHBondContact O-N 2.86Å; A277-L282 PolarHBondContact O-N 3.13Å; A277-F288 HydrophobicContact CB-CE2 4.04Å; A277-F288 HydrophobicContact CB-CZ 4.09Å
278E97.8Very high97Very high90 Ų9065.2 Ų65.242%0.42131%0.312SS..Hα-helixtrans-69.1-44.2173.6-67.4-167.8147.700112.2T274 E275 L276 L280 H281 R283T274-E278 PolarHBondContact O-N 3.25Å; T274-E278 VanDerWaalsContact O-N 3.1Å; E275-E278 PolarHBondContact O-N 3.15Å; E275-E278 VanDerWaalsContact O-N 3.16Å; L276-E278 VanDerWaalsContact C-N 3.28Å; L276-E278 PolarHBondContact O-N 2.76Å; E278-L280 VanDerWaalsContact C-N 3.27Å; E278-L280 PolarHBondContact O-N 3.34Å; E278-H281 PolarHBondContact O-N 2.81Å; E278-R283 IonicContact OE1-CZ 3.76Å; E278-R283 IonicContact OE1-NH1 2.8Å; E278-R283 PolarHBondContact OE1-NH1 2.98Å
279Q98.1Very high96.9Very high136 Ų13661.9 Ų61.964%0.63630%0.297SS*.Hα-helixtrans-60.9-36176.7-71172.86.300112.5E275 L276 H281E275-Q279 WeakPolarHBondContact O-CG 3.26Å; E275-Q279 PolarHBondContact O-N 2.85Å; L276-Q279 PolarHBondContact O-N 2.79Å; Q279-H281 VanDerWaalsContact C-N 3.26Å; Q279-H281 PolarHBondContact O-N 2.81Å
280L97.9Very high96.8Very high54 Ų5467.4 Ų67.428%0.28332%0.317SS..THydrogen-bonded Turntrans-83.21.6176.5-64.7174.8000113.3L233 E234 A237 L276 E278 L282L233-L280 HydrophobicContact CB-CD1 4.04Å; E234-L280 HydrophobicContact CG-CD1 4.23Å; A237-L280 HydrophobicContact CB-CB 4.32Å; A237-L280 HydrophobicContact CB-CD1 4.34Å; A237-L280 HydrophobicContact CB-CD2 4.2Å; L276-L280 HydrophobicContact CD1-CD1 3.91Å; L276-L280 HydrophobicContact CD1-CG 4.05Å; L276-L280 HydrophobicContact CG-CD1 3.93Å; L276-L280 HydrophobicContact CG-CG 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.45Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.29Å; L276-L280 PolarHBondContact O-N 3Å; E278-L280 VanDerWaalsContact C-N 3.27Å; E278-L280 PolarHBondContact O-N 3.34Å; L280-L282 VanDerWaalsContact C-N 3.31Å; L280-L282 HydrophobicContact CB-CD1 3.76Å; L280-L282 HydrophobicContact CB-CG 3.77Å; L280-L282 HydrophobicContact CD1-CD1 4.05Å; L280-L282 PolarHBondContact O-N 3.33Å
281H96.9Very high96.6Very high168 Ų16868.5 Ų68.578%0.77833%0.331SS*.THydrogen-bonded Turntrans56.141-176.8-53-59000113.6A277 E278 Q279A277-H281 PolarHBondContact O-N 2.86Å; E278-H281 PolarHBondContact O-N 2.81Å; Q279-H281 VanDerWaalsContact C-N 3.26Å; Q279-H281 PolarHBondContact O-N 2.81Å
282L96.6Very high96.3Very high3 Ų366.4 Ų66.42%0.01632%0.322CS..  trans-1063.3-176.2-62.6178.2000114.4L233 L236 A237 R240 A277 L280 D284 C285 V286L233-L282 HydrophobicContact CB-CD1 4.32Å; L233-L282 VanDerWaalsContact O-CD1 3.24Å; L233-L282 WeakPolarHBondContact O-CD1 3.32Å; L236-L282 HydrophobicContact CB-CD1 4.41Å; L236-L282 HydrophobicContact CD2-CD1 4.24Å; L236-L282 HydrophobicContact CD2-CD2 4.19Å; L236-L282 HydrophobicContact CG-CD1 4.41Å; L236-L282 HydrophobicContact CG-CD2 4.15Å; A237-L282 HydrophobicContact CB-CD1 4.22Å; A237-L282 HydrophobicContact CB-CD2 4.44Å; R240-L282 VanDerWaalsContact CD-CD2 3.44Å; A277-L282 PolarHBondContact O-N 3.13Å; L280-L282 VanDerWaalsContact C-N 3.31Å; L280-L282 HydrophobicContact CB-CD1 3.76Å; L280-L282 HydrophobicContact CB-CG 3.77Å; L280-L282 HydrophobicContact CD1-CD1 4.05Å; L280-L282 PolarHBondContact O-N 3.33Å; L282-D284 PolarHBondContact O-N 2.85Å; L282-D284 VanDerWaalsContact O-N 3.08Å; L282-C285 CarbonylContact O-C 3.55Å; L282-C285 PolarHBondContact O-N 3.4Å; L282-C285 PolarHBondContact O-SG 3.32Å; L282-V286 HydrophobicContact CB-CG2 3.79Å; L282-V286 HydrophobicContact CD1-CG2 4.47Å; L282-V286 PolarHBondContact O-N 3.21Å; L282-V286 VanDerWaalsContact O-N 3.15Å
283R91.5Very high95.9Very high173 Ų17365.6 Ų65.665%0.65333%0.325SS*.G310 helixtrans-52-36.5-172.2-175170.6170.4161.7-7.5114.2E278 C285E278-R283 IonicContact OE1-CZ 3.76Å; E278-R283 IonicContact OE1-NH1 2.8Å; E278-R283 PolarHBondContact OE1-NH1 2.98Å; R283-C285 VanDerWaalsContact C-N 3.34Å
284D91.6Very high95.4Very high149 Ų14969.8 Ų69.880%0.79735%0.347SS*.G310 helixtrans-83.5-9.4-178.1-56.6-40.3000113.8L282L282-D284 PolarHBondContact O-N 2.85Å; L282-D284 VanDerWaalsContact O-N 3.08Å
285C94.6Very high94.9Very high7 Ų770 Ų705%0.04735%0.35CS..G310 helixtrans-124.114.3-177.260.30000113.8H252 L253 L282 R283H252-C285 VanDerWaalsContact CE1-C 3.43Å; H252-C285 WeakPolarHBondContact ND1-CA 3.4Å; H252-C285 PolarHBondContact ND1-O 2.72Å; L253-C285 PolarHBondContact N-O 2.9Å; L282-C285 CarbonylContact O-C 3.55Å; L282-C285 PolarHBondContact O-N 3.4Å; L282-C285 PolarHBondContact O-SG 3.32Å; R283-C285 VanDerWaalsContact C-N 3.34Å
286V97.4Very high94.6Very high13 Ų1366.5 Ų66.58%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-129.9131.7176.9177.10000110.1L233 L236 L253 V255 L282 F288L233-V286 HydrophobicContact CD2-CG1 3.87Å; L233-V286 HydrophobicContact CD2-CG2 3.91Å; L236-V286 HydrophobicContact CD2-CG2 3.78Å; L253-V286 HydrophobicContact CB-CG2 4.29Å; L253-V286 HydrophobicContact CD2-CG2 4.43Å; L253-V286 CarbonylContact O-C 3.51Å; L253-V286 VanDerWaalsContact O-CA 3.25Å; L253-V286 WeakPolarHBondContact O-CA 3.28Å; V255-V286 HydrophobicContact CG2-CG1 4.3Å; L282-V286 HydrophobicContact CB-CG2 3.79Å; L282-V286 HydrophobicContact CD1-CG2 4.47Å; L282-V286 PolarHBondContact O-N 3.21Å; L282-V286 VanDerWaalsContact O-N 3.15Å; V286-F288 HydrophobicContact CG1-CD2 4.06Å; V286-F288 HydrophobicContact CG1-CE1 4.44Å; V286-F288 HydrophobicContact CG1-CE2 3.62Å; V286-F288 HydrophobicContact CG1-CZ 3.83Å
287T96.8Very high94.3Very high35 Ų3566.2 Ų66.222%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-118.6122.6170.7-60.90000110.1H252 L253 V254 V255 M289H252-T287 PolarHBondContact NE2-OG1 2.91Å; L253-T287 PolarHBondContact O-N 3.29Å; V254-T287 CarbonylContact C-O 3.54Å; V254-T287 WeakPolarHBondContact CA-O 3.1Å; V255-T287 PolarHBondContact N-O 3.13Å; T287-M289 HydrophobicContact CG2-CE 3.71Å; T287-M289 HydrophobicContact CG2-CG 4Å
288F97.1Very high94.1Very high39 Ų3966 Ų6617%0.17133%0.332CS..EExtended strand (participates in β ladder)trans-91.2124.7172.2-66-84.4000110.5Y223 L233 V255 Y270 L273 A277 V286Y223-F288 HydrophobicContact CE1-CD1 4.17Å; L233-F288 HydrophobicContact CD1-CZ 4.27Å; L233-F288 HydrophobicContact CD2-CZ 4.25Å; V255-F288 HydrophobicContact CB-CD1 3.68Å; V255-F288 HydrophobicContact CB-CE1 3.87Å; V255-F288 HydrophobicContact CG1-CD1 3.95Å; V255-F288 HydrophobicContact CG1-CE1 4.05Å; V255-F288 HydrophobicContact CG2-CD1 4.25Å; V255-F288 HydrophobicContact CG2-CE1 3.97Å; V255-F288 CarbonylContact O-C 3.56Å; V255-F288 WeakPolarHBondContact O-CA 3.13Å; Y270-F288 HydrophobicContact CE2-CB 3.73Å; Y270-F288 HydrophobicContact CE2-CG 4.33Å; L273-F288 HydrophobicContact CB-CE1 3.77Å; L273-F288 HydrophobicContact CB-CZ 4.1Å; L273-F288 WeakPolarHBondContact O-CZ 3.32Å; A277-F288 HydrophobicContact CB-CE2 4.04Å; A277-F288 HydrophobicContact CB-CZ 4.09Å; V286-F288 HydrophobicContact CG1-CD2 4.06Å; V286-F288 HydrophobicContact CG1-CE1 4.44Å; V286-F288 HydrophobicContact CG1-CE2 3.62Å; V286-F288 HydrophobicContact CG1-CZ 3.83Å
289M95.9Very high93.8Very high22 Ų2262.2 Ų62.211%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-118.6122.8178.7-61.6-170.4-176.300110.1L208 L209 Y223 V254 V255 A256 G257 T287 L300L208-M289 HydrophobicContact CB-CE 4.18Å; L209-M289 HydrophobicContact CD2-CE 4.45Å; Y223-M289 WeakPolarHBondContact CE2-O 3.47Å; Y223-M289 PolarHBondContact OH-N 2.96Å; Y223-M289 PolarHBondContact OH-O 2.77Å; V254-M289 HydrophobicContact CG1-CE 4.05Å; V254-M289 HydrophobicContact CG1-CG 4.05Å; V254-M289 HydrophobicContact CG1-SD 3.84Å; V254-M289 HydrophobicContact CG2-CE 4.12Å; V255-M289 PolarHBondContact O-N 3.08Å; A256-M289 WeakPolarHBondContact CA-O 3.5Å; A256-M289 HydrophobicContact CB-CB 4.11Å; G257-M289 PolarHBondContact N-O 3.45Å; T287-M289 HydrophobicContact CG2-CE 3.71Å; T287-M289 HydrophobicContact CG2-CG 4Å; M289-L300 HydrophobicContact SD-CD1 3.94Å
290R95.9Very high93.7Very high131 Ų13155.8 Ų55.849%0.49429%0.285SS..EExtended strand (participates in β ladder)trans-98.5121.6-179.9-66.4-179.4-66.2167.51.1109.3Y223 Y259 Y270Y223-R290 HydrophobicContact CE2-CG 4.33Å; Y259-R290 HydrophobicContact CD1-CB 4.18Å; Y259-R290 HydrophobicContact CD1-CG 4.18Å; Y259-R290 HydrophobicContact CD2-CG 4.07Å; Y259-R290 HydrophobicContact CG-CB 4.05Å; Y259-R290 HydrophobicContact CG-CG 3.85Å; Y270-R290 HydrophobicContact CD2-CG 3.99Å; Y270-R290 HydrophobicContact CE2-CG 3.69Å
291S92.9Very high93.6Very high67 Ų6753.2 Ų53.247%0.46927%0.272SS..SBendtrans46.558.9176.8-59.10000113.2G257 Y259G257-S291 WeakPolarHBondContact O-CA 3.43Å; G257-S291 PolarHBondContact O-N 3.17Å; Y259-S291 PolarHBondContact N-OG 3.11Å; Y259-S291 PolarHBondContact O-OG 3.1Å
292P92.5Very high93.4Very high35 Ų3549.3 Ų49.323%0.22725%0.254CS..  trans-58.7148.8176.529.7-37.2000110.4A256 V296A256-P292 HydrophobicContact CB-CG 4.24Å; P292-V296 HydrophobicContact CB-CB 4.24Å; P292-V296 HydrophobicContact CB-CG1 3.96Å
293S89.4Confident93.3Very high59 Ų5952.7 Ų52.741%0.41328%0.275SS..  trans-62157.4170.965.50000110.6S295 V296 K297S293-S295 PolarHBondContact O-N 2.65Å; S293-S295 PolarHBondContact OG-OG 3.01Å; S293-V296 PolarHBondContact O-N 3.03Å; S293-V296 VanDerWaalsContact O-N 3.12Å; S293-V296 WeakPolarHBondContact OG-CG2 3.49Å; S293-V296 PolarHBondContact OG-N 3.09Å; S293-K297 PolarHBondContact O-N 3.29Å
294D87.9Confident93.5Very high91 Ų9145 Ų4549%0.48725%0.248SC..Hα-helixtrans-60.6-34.8177.8-73.7-41.2000112.4M198 K297 V298M198-D294 HydrophobicContact SD-CB 3.56Å; M198-D294 VanDerWaalsContact SD-CB 3.56Å; D294-K297 WeakPolarHBondContact O-CB 3.44Å; D294-K297 PolarHBondContact O-N 2.7Å; D294-K297 IonicContact OD1-NZ 2.94Å; D294-K297 PolarHBondContact OD1-NZ 2.84Å; D294-V298 WeakPolarHBondContact O-CG2 3.27Å; D294-V298 PolarHBondContact O-N 2.92Å
295S87.5Confident93.8Very high47 Ų4738 Ų3833%0.32921%0.211SC..Hα-helixtrans-61-46.9172.955.40000112.4S293 K297 V298 V299S293-S295 PolarHBondContact O-N 2.65Å; S293-S295 PolarHBondContact OG-OG 3.01Å; S295-K297 VanDerWaalsContact C-N 3.34Å; S295-K297 PolarHBondContact O-N 2.84Å; S295-V298 PolarHBondContact O-N 3.03Å; S295-V299 WeakPolarHBondContact O-CG2 3.42Å; S295-V299 PolarHBondContact O-N 3.36Å; S295-V299 VanDerWaalsContact O-N 3.12Å
296V90.9Very high94Very high38 Ų3837.7 Ų37.723%0.2321%0.209CC..Hα-helixtrans-64.4-40.3176.5170.90000110.8L208 P292 S293 V298 V299 L300L208-V296 HydrophobicContact CD1-CG1 4.27Å; P292-V296 HydrophobicContact CB-CB 4.24Å; P292-V296 HydrophobicContact CB-CG1 3.96Å; S293-V296 PolarHBondContact O-N 3.03Å; S293-V296 VanDerWaalsContact O-N 3.12Å; S293-V296 WeakPolarHBondContact OG-CG2 3.49Å; S293-V296 PolarHBondContact OG-N 3.09Å; V296-V298 VanDerWaalsContact C-N 3.34Å; V296-V298 PolarHBondContact O-N 2.84Å; V296-V299 PolarHBondContact O-N 3.23Å; V296-L300 HydrophobicContact CG1-CD1 4.02Å; V296-L300 HydrophobicContact CG1-CG 4.34Å; V296-L300 WeakPolarHBondContact O-CG 3.34Å; V296-L300 PolarHBondContact O-N 2.76Å
297K93.4Very high94.1Very high30 Ų3037.1 Ų37.113%0.1321%0.205CC..Hα-helixtrans-56.2-47.9175-176.7-172.469.3170.70111L220 S293 D294 S295 V299 L300 L301 E322L220-K297 HydrophobicContact CD1-CG 4.29Å; L220-K297 HydrophobicContact CD2-CD 3.93Å; L220-K297 HydrophobicContact CD2-CG 3.74Å; S293-K297 PolarHBondContact O-N 3.29Å; D294-K297 WeakPolarHBondContact O-CB 3.44Å; D294-K297 PolarHBondContact O-N 2.7Å; D294-K297 IonicContact OD1-NZ 2.94Å; D294-K297 PolarHBondContact OD1-NZ 2.84Å; S295-K297 VanDerWaalsContact C-N 3.34Å; S295-K297 PolarHBondContact O-N 2.84Å; K297-V299 PolarHBondContact O-N 3.03Å; K297-L300 PolarHBondContact O-N 3.36Å; K297-L301 HydrophobicContact CG-CD1 4.18Å; K297-L301 VanDerWaalsContact O-CG 3.3Å; K297-L301 WeakPolarHBondContact O-CG 3.45Å; K297-L301 PolarHBondContact O-N 3.23Å; K297-E322 IonicContact NZ-OE1 3.62Å; K297-E322 PolarHBondContact NZ-OE1 3.17Å
298V93.1Very high94.2Very high0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-61.6-44.3179169.50000111.4F195 M198 S199 D294 S295 V296 L300 L301 Q302F195-V298 HydrophobicContact CD1-CG2 3.93Å; F195-V298 HydrophobicContact CE1-CG2 4.03Å; M198-V298 HydrophobicContact CB-CB 4.37Å; M198-V298 HydrophobicContact CB-CG2 3.89Å; M198-V298 HydrophobicContact SD-CG2 4Å; S199-V298 VanDerWaalsContact OG-CG1 3.32Å; S199-V298 WeakPolarHBondContact OG-CG1 3.37Å; D294-V298 WeakPolarHBondContact O-CG2 3.27Å; D294-V298 PolarHBondContact O-N 2.92Å; S295-V298 PolarHBondContact O-N 3.03Å; V296-V298 VanDerWaalsContact C-N 3.34Å; V296-V298 PolarHBondContact O-N 2.84Å; V298-L300 PolarHBondContact O-N 2.93Å; V298-L301 PolarHBondContact O-N 3.33Å; V298-Q302 HydrophobicContact CG1-CG 4.4Å; V298-Q302 WeakPolarHBondContact O-CG 3.36Å; V298-Q302 PolarHBondContact O-N 2.93Å
299V92.4Very high94.3Very high10 Ų1033.8 Ų33.86%0.06119%0.187CC..Hα-helixtrans-62.1-43.1177.5-179.10000111.9A202 L205 S295 V296 K297 L301 Q302 T303A202-V299 HydrophobicContact CB-CG2 3.19Å; L205-V299 HydrophobicContact CD1-CG1 4.13Å; L205-V299 HydrophobicContact CD2-CB 4.08Å; L205-V299 HydrophobicContact CD2-CG1 3.48Å; L205-V299 VanDerWaalsContact CD2-CG1 3.48Å; L205-V299 HydrophobicContact CG-CG1 3.44Å; L205-V299 VanDerWaalsContact CG-CG1 3.44Å; S295-V299 WeakPolarHBondContact O-CG2 3.42Å; S295-V299 PolarHBondContact O-N 3.36Å; S295-V299 VanDerWaalsContact O-N 3.12Å; V296-V299 PolarHBondContact O-N 3.23Å; K297-V299 PolarHBondContact O-N 3.03Å; V299-L301 VanDerWaalsContact C-N 3.33Å; V299-L301 PolarHBondContact O-N 3.17Å; V299-Q302 PolarHBondContact O-N 2.83Å; V299-T303 VanDerWaalsContact O-CB 3.32Å; V299-T303 WeakPolarHBondContact O-CB 3.35Å; V299-T303 PolarHBondContact O-N 3.37Å; V299-T303 PolarHBondContact O-OG1 2.93Å
300L95Very high94.4Very high0 Ų032.7 Ų32.70%018%0.182CC..Hα-helixtrans-60.2-45.2176.3-72.7170.5000111L205 L216 L218 V254 A256 M289 V296 K297 V298 Q302 T303 A304L205-L300 HydrophobicContact CD1-CD2 4.08Å; L205-L300 HydrophobicContact CD2-CD2 3.82Å; L205-L300 HydrophobicContact CD2-CG 4.14Å; L216-L300 HydrophobicContact CD2-CD2 4.32Å; L218-L300 HydrophobicContact CD1-CB 4.18Å; L218-L300 HydrophobicContact CD1-CD1 4.19Å; L218-L300 HydrophobicContact CD2-CB 3.83Å; V254-L300 HydrophobicContact CG1-CD1 4.18Å; V254-L300 HydrophobicContact CG1-CD2 4.26Å; V254-L300 HydrophobicContact CG2-CD2 4.25Å; A256-L300 HydrophobicContact CB-CD1 4.37Å; M289-L300 HydrophobicContact SD-CD1 3.94Å; V296-L300 HydrophobicContact CG1-CD1 4.02Å; V296-L300 HydrophobicContact CG1-CG 4.34Å; V296-L300 WeakPolarHBondContact O-CG 3.34Å; V296-L300 PolarHBondContact O-N 2.76Å; K297-L300 PolarHBondContact O-N 3.36Å; V298-L300 PolarHBondContact O-N 2.93Å; L300-Q302 PolarHBondContact O-N 3.36Å; L300-T303 PolarHBondContact O-N 2.89Å; L300-A304 WeakPolarHBondContact O-CB 3.44Å; L300-A304 PolarHBondContact O-N 3.19Å
301L96.1Very high94.4Very high0 Ų026.5 Ų26.50%016%0.159CC..Hα-helixtrans-61.7-43177.6-69.1166.8000111.8F195 L218 L220 K297 V298 V299 V307 E322 A323 C326 C328F195-L301 HydrophobicContact CE1-CD1 4.15Å; L218-L301 HydrophobicContact CD2-CD2 3.76Å; L218-L301 HydrophobicContact CD2-CG 4.14Å; L220-L301 HydrophobicContact CD2-CD2 4.23Å; K297-L301 HydrophobicContact CG-CD1 4.18Å; K297-L301 VanDerWaalsContact O-CG 3.3Å; K297-L301 WeakPolarHBondContact O-CG 3.45Å; K297-L301 PolarHBondContact O-N 3.23Å; V298-L301 PolarHBondContact O-N 3.33Å; V299-L301 VanDerWaalsContact C-N 3.33Å; V299-L301 PolarHBondContact O-N 3.17Å; L301-V307 HydrophobicContact CD2-CG2 3.7Å; L301-E322 HydrophobicContact CD1-CB 4.02Å; L301-A323 HydrophobicContact CD2-CB 3.91Å; L301-C326 HydrophobicContact CB-CB 3.85Å; L301-C328 VanDerWaalsContact O-CB 3.28Å; L301-C328 WeakPolarHBondContact O-CB 3.21Å
302Q93.6Very high94.5Very high87 Ų8725.9 Ų25.941%0.40715%0.154SC..Hα-helixtrans-69.9-30.6179.5-72.4175.3-23.800113.6S199 V298 V299 L300 C326S199-Q302 VanDerWaalsContact CB-NE2 3.27Å; S199-Q302 PolarHBondContact OG-NE2 2.99Å; V298-Q302 HydrophobicContact CG1-CG 4.4Å; V298-Q302 WeakPolarHBondContact O-CG 3.36Å; V298-Q302 PolarHBondContact O-N 2.93Å; V299-Q302 PolarHBondContact O-N 2.83Å; L300-Q302 PolarHBondContact O-N 3.36Å; Q302-C326 HydrophobicContact CG-CB 4.08Å
303T92.9Very high94.5Very high74 Ų7431.7 Ų31.745%0.45417%0.172SC..Hα-helixtrans-90.3-23.2-177.1-49.90000112.3L205 L216 V299 L300L205-T303 HydrophobicContact CD1-CG2 3.87Å; L216-T303 HydrophobicContact CD2-CG2 4.19Å; V299-T303 VanDerWaalsContact O-CB 3.32Å; V299-T303 WeakPolarHBondContact O-CB 3.35Å; V299-T303 PolarHBondContact O-N 3.37Å; V299-T303 PolarHBondContact O-OG1 2.93Å; L300-T303 PolarHBondContact O-N 2.89Å
304A97.1Very high94.5Very high11 Ų1130.5 Ų30.59%0.09116%0.16CC..  trans-63.5138.1-17700000112.2L216 L218 L300 A306 C328L216-A304 CarbonylContact O-C 3.57Å; L216-A304 WeakPolarHBondContact O-CA 3.48Å; L218-A304 HydrophobicContact CB-CB 3.95Å; L300-A304 WeakPolarHBondContact O-CB 3.44Å; L300-A304 PolarHBondContact O-N 3.19Å; A304-A306 VanDerWaalsContact C-N 3.31Å; A304-C328 PolarHBondContact O-SG 2.81Å
305T98.2Very high94.5Very high3 Ų328.9 Ų28.92%0.01815%0.149CC..SBendtrans-63.4-39.7166.1-72.10000111.2L216 F217 L365 R372L216-T305 WeakPolarHBondContact O-CB 3.05Å; L216-T305 PolarHBondContact O-N 3.3Å; F217-T305 HydrophobicContact CE1-CG2 4.1Å; F217-T305 HydrophobicContact CZ-CG2 4.1Å; T305-L365 HydrophobicContact CG2-CB 4.18Å; T305-R372 PolarHBondContact OG1-NH1 3.07Å
306A98.8Very high94.6Very high0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-161.3155.7171.500000111.2F217 L218 A304 P329 I331 L365F217-A306 HydrophobicContact CD1-CB 4.03Å; F217-A306 HydrophobicContact CE1-CB 4.04Å; L218-A306 PolarHBondContact N-O 2.95Å; L218-A306 VanDerWaalsContact N-O 3.08Å; A304-A306 VanDerWaalsContact C-N 3.31Å; A306-P329 CarbonylContact C-O 3.53Å; A306-P329 VanDerWaalsContact CA-O 3.22Å; A306-P329 WeakPolarHBondContact CA-O 3.45Å; A306-P329 WeakPolarHBondContact CB-O 3.33Å; A306-I331 HydrophobicContact CB-CD1 4.2Å; A306-I331 HydrophobicContact CB-CG1 4.38Å; A306-L365 HydrophobicContact CB-CD1 3.54Å
307V98.8Very high94.5Very high0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-92.3130.5166.5172.80000110.3L218 L301 V319 A323 P329 I331L218-V307 HydrophobicContact CB-CG2 4.25Å; L218-V307 HydrophobicContact CD2-CG2 4.1Å; L218-V307 HydrophobicContact CG-CG2 4.45Å; L218-V307 CarbonylContact O-C 3.43Å; L218-V307 VanDerWaalsContact O-CA 3.25Å; L218-V307 WeakPolarHBondContact O-CA 3.44Å; L301-V307 HydrophobicContact CD2-CG2 3.7Å; V307-V319 HydrophobicContact CG1-CG1 4.03Å; V307-A323 HydrophobicContact CB-CB 3.96Å; V307-A323 HydrophobicContact CG1-CB 4.49Å; V307-A323 HydrophobicContact CG2-CB 3.56Å; V307-P329 PolarHBondContact N-O 2.94Å; V307-I331 PolarHBondContact O-N 2.87Å
308L98.8Very high94.5Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-94.5107.4172.6-52.2-175.6000109F217 L218 A232 L253 I331 F358 M362F217-L308 HydrophobicContact CB-CD1 4.23Å; F217-L308 HydrophobicContact CB-CG 4.36Å; F217-L308 HydrophobicContact CD1-CD2 4.04Å; F217-L308 HydrophobicContact CD1-CG 4.44Å; L218-L308 PolarHBondContact O-N 2.81Å; A232-L308 HydrophobicContact CB-CB 4.4Å; A232-L308 HydrophobicContact CB-CD1 3.92Å; L253-L308 HydrophobicContact CD1-CD1 4.13Å; L308-I331 CarbonylContact C-O 3.55Å; L308-I331 WeakPolarHBondContact CA-O 3.29Å; L308-I331 HydrophobicContact CD2-CB 3.96Å; L308-I331 HydrophobicContact CD2-CD1 3.81Å; L308-I331 HydrophobicContact CD2-CG1 4.35Å; L308-I331 HydrophobicContact CD2-CG2 4.49Å; L308-F358 HydrophobicContact CD2-CD1 4.4Å; L308-M362 HydrophobicContact CD1-CE 3.98Å; L308-M362 HydrophobicContact CD1-SD 4.06Å; L308-M362 HydrophobicContact CD2-CG 3.88Å; L308-M362 HydrophobicContact CD2-SD 4.17Å
309Y98.5Very high94.6Very high4 Ų428 Ų282%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-104.590.8-180-162.7-106000111.2N221 P311 E314 G317 V319 P320 I331 A332 V333 P338N221-Y309 WeakPolarHBondContact OD1-CE2 3.26Å; Y309-P311 HydrophobicContact CE1-CB 4.28Å; Y309-P311 HydrophobicContact CE1-CG 4.03Å; Y309-P311 HydrophobicContact CE2-CG 4.01Å; Y309-E314 HydrophobicContact CE1-CB 4.46Å; Y309-E314 HydrophobicContact CE1-CG 4.49Å; Y309-E314 WeakPolarHBondContact OH-CG 3.32Å; Y309-G317 VanDerWaalsContact OH-CA 3.31Å; Y309-G317 WeakPolarHBondContact OH-CA 3.35Å; Y309-V319 HydrophobicContact CD2-CB 4.08Å; Y309-V319 HydrophobicContact CD2-CG1 3.96Å; Y309-V319 HydrophobicContact CE2-CB 3.82Å; Y309-V319 HydrophobicContact CE2-CG1 4.19Å; Y309-V319 HydrophobicContact CE2-CG2 4.46Å; Y309-P320 HydrophobicContact CD1-CG 3.71Å; Y309-P320 HydrophobicContact CD2-CG 4.04Å; Y309-P320 HydrophobicContact CE1-CG 4.02Å; Y309-P320 HydrophobicContact CE2-CG 4.34Å; Y309-P320 HydrophobicContact CG-CG 3.7Å; Y309-I331 PolarHBondContact N-O 2.82Å; Y309-A332 HydrophobicContact CD1-CB 4.3Å; Y309-A332 CarbonylContact O-C 3.59Å; Y309-A332 VanDerWaalsContact O-CA 3.26Å; Y309-A332 WeakPolarHBondContact O-CA 3.19Å; Y309-V333 PolarHBondContact O-N 2.71Å; Y309-P338 HydrophobicContact CD1-CG 3.67Å; Y309-P338 HydrophobicContact CE1-CG 3.69Å
310T98.3Very high94.8Very high0 Ų027.5 Ų27.50%014%0.139CC..  trans-84.4-12.8-172.854.90000118.2K227 N228 L231 A232 S312 V333 F358K227-T310 CarbonylContact O-C 3.59Å; K227-T310 PolarHBondContact O-OG1 2.74Å; N228-T310 VanDerWaalsContact O-CB 3.24Å; N228-T310 WeakPolarHBondContact O-CB 3.38Å; N228-T310 PolarHBondContact O-OG1 2.99Å; L231-T310 HydrophobicContact CB-CG2 3.92Å; L231-T310 HydrophobicContact CD2-CG2 4.05Å; L231-T310 HydrophobicContact CG-CG2 4.05Å; A232-T310 HydrophobicContact CB-CG2 4.12Å; T310-S312 PolarHBondContact O-N 3.17Å; T310-V333 WeakPolarHBondContact O-CG2 3.45Å; T310-F358 HydrophobicContact CG2-CE1 4.06Å
311P96.8Very high94.9Very high0 Ų027.5 Ų27.50%014%0.139CC..  trans-64.1134.4179.6-23.933.9000113.4N221 K227 Y309 E314N221-P311 WeakPolarHBondContact OD1-CG 3.38Å; K227-P311 HydrophobicContact CB-CG 4.14Å; K227-P311 HydrophobicContact CD-CB 4.06Å; K227-P311 HydrophobicContact CD-CG 3.63Å; Y309-P311 HydrophobicContact CE1-CB 4.28Å; Y309-P311 HydrophobicContact CE1-CG 4.03Å; Y309-P311 HydrophobicContact CE2-CG 4.01Å; P311-E314 HydrophobicContact CB-CB 4.29Å
312S94.8Very high95Very high54 Ų5428.3 Ų28.338%0.37814%0.143SC..SBendtrans-94.7147.5170.6-61.10000111.1T310 E314T310-S312 PolarHBondContact O-N 3.17Å; S312-E314 PolarHBondContact O-N 3.27Å; S312-E314 VanDerWaalsContact O-N 3.17Å
313R91.6Very high95.2Very high157 Ų15724.2 Ų24.259%0.59212%0.124SC*.SBendtrans53.532.5177.8-58.2-175.467.3131.44.2113.6F166 S335F166-R313 HydrophobicContact CE2-CB 4.47Å; F166-R313 HydrophobicContact CZ-CB 3.91Å; R313-S335 PolarHBondContact N-OG 3.42Å; R313-S335 VanDerWaalsContact N-OG 3.14Å
314E90Very high95.4Very high34 Ų3420.7 Ų20.716%0.15910%0.102CC..  trans-69143174-169.174.5-157.400110.2K227 Y309 P311 S312 G336 G337K227-E314 IonicContact NZ-OE1 2.93Å; K227-E314 PolarHBondContact NZ-OE1 3.08Å; K227-E314 IonicContact NZ-OE2 3.72Å; K227-E314 PolarHBondContact NZ-OE2 3.42Å; Y309-E314 HydrophobicContact CE1-CB 4.46Å; Y309-E314 HydrophobicContact CE1-CG 4.49Å; Y309-E314 WeakPolarHBondContact OH-CG 3.32Å; P311-E314 HydrophobicContact CB-CB 4.29Å; S312-E314 PolarHBondContact O-N 3.27Å; S312-E314 VanDerWaalsContact O-N 3.17Å; E314-G336 CarbonylContact O-C 3.57Å; E314-G336 WeakPolarHBondContact O-CA 3.47Å; E314-G337 PolarHBondContact O-N 3.18Å
315H88.4Confident95.5Very high57 Ų5720.6 Ų20.626%0.26410%0.099SC..SBendtrans-57.3-65.9-179.4-47.8-52.3000112.6F126 S164 G337F126-H315 AromaticContact CD1-CE1 3.66Å; F126-H315 AromaticContact CD2-CE1 3.15Å; F126-H315 WeakPolarHBondContact CD2-CE1 3.49Å; F126-H315 AromaticContact CD2-CG 3.99Å; F126-H315 AromaticContact CD2-ND1 3.05Å; F126-H315 WeakPolarHBondContact CD2-ND1 3.48Å; F126-H315 AromaticContact CE1-CE1 3.65Å; F126-H315 AromaticContact CE2-CE1 3.16Å; F126-H315 WeakPolarHBondContact CE2-CE1 3.22Å; F126-H315 AromaticContact CE2-ND1 3.18Å; F126-H315 WeakPolarHBondContact CE2-ND1 3.28Å; F126-H315 AromaticContact CG-CE1 3.4Å; F126-H315 VanDerWaalsContact CG-CE1 3.4Å; F126-H315 WeakPolarHBondContact CG-CE1 3.38Å; F126-H315 AromaticContact CG-ND1 3.71Å; F126-H315 AromaticContact CG-NE2 3.99Å; F126-H315 AromaticContact CZ-CE1 3.42Å; F126-H315 VanDerWaalsContact CZ-CE1 3.42Å; F126-H315 WeakPolarHBondContact CZ-CE1 3.25Å; F126-H315 AromaticContact CZ-ND1 3.92Å; S164-H315 WeakPolarHBondContact CB-O 3.42Å; S164-H315 PolarHBondContact OG-O 3.02Å; H315-G337 WeakPolarHBondContact O-CA 3.38Å; H315-G337 PolarHBondContact O-N 3.41Å
316F89.9Confident95.4Very high9 Ų921.3 Ų21.34%0.03910%0.104CC..SBendtrans-123.7-50.7175.8-176.6-114.8000111.2Y187 P188 I318 V321 G337 F387Y187-F316 HydrophobicContact CD1-CD2 4.07Å; Y187-F316 AromaticContact CD1-CE2 3.49Å; Y187-F316 HydrophobicContact CD1-CE2 3.49Å; Y187-F316 VanDerWaalsContact CD1-CE2 3.49Å; Y187-F316 HydrophobicContact CD1-CZ 4.27Å; Y187-F316 HydrophobicContact CE1-CE2 4.12Å; Y187-F316 HydrophobicContact CG-CE2 4.3Å; P188-F316 HydrophobicContact CB-CD1 3.96Å; P188-F316 HydrophobicContact CB-CE1 4.04Å; P188-F316 HydrophobicContact CG-CB 4.25Å; P188-F316 HydrophobicContact CG-CD1 3.58Å; P188-F316 HydrophobicContact CG-CE1 4.02Å; P188-F316 HydrophobicContact CG-CG 3.89Å; F316-I318 HydrophobicContact CD1-CD1 4.38Å; F316-I318 HydrophobicContact CE1-CD1 3.99Å; F316-V321 HydrophobicContact CE1-CG2 3.78Å; F316-V321 HydrophobicContact CZ-CG2 3.82Å; F316-G337 CarbonylContact O-C 3.55Å; F316-G337 WeakPolarHBondContact O-CA 3.37Å; F316-F387 HydrophobicContact CE2-CD1 4.44Å; F316-F387 HydrophobicContact CE2-CE1 4.1Å; F316-F387 AromaticContact CZ-CD1 3.82Å; F316-F387 HydrophobicContact CZ-CD1 3.82Å; F316-F387 AromaticContact CZ-CE1 3.9Å; F316-F387 HydrophobicContact CZ-CE1 3.9Å
317G88.3Confident95.3Very high7 Ų723.5 Ų23.57%0.07212%0.12CC..  trans74.190.4-175.700000111.1Y309 V319 P320Y309-G317 VanDerWaalsContact OH-CA 3.31Å; Y309-G317 WeakPolarHBondContact OH-CA 3.35Å; G317-V319 VanDerWaalsContact C-N 3.3Å; G317-V319 PolarHBondContact O-N 3.26Å; G317-P320 VanDerWaalsContact O-CD 3.28Å; G317-P320 WeakPolarHBondContact O-CD 3.18Å
318I92.2Very high95.3Very high63 Ų6323.7 Ų23.732%0.32312%0.121SC..Hα-helixtrans-70.8-27.6-178.2-163.563.5000112.5F316 V321 E322F316-I318 HydrophobicContact CD1-CD1 4.38Å; F316-I318 HydrophobicContact CE1-CD1 3.99Å; I318-V321 HydrophobicContact CD1-CB 4.22Å; I318-V321 WeakPolarHBondContact O-CA 3.05Å; I318-V321 VanDerWaalsContact O-CB 3.3Å; I318-V321 WeakPolarHBondContact O-CB 3.42Å; I318-V321 PolarHBondContact O-N 3.28Å; I318-E322 HydrophobicContact CG1-CG 4.33Å; I318-E322 WeakPolarHBondContact O-CG 3.15Å; I318-E322 PolarHBondContact O-N 2.89Å
319V95.4Very high95.3Very high17 Ų1723.8 Ų23.810%0.10312%0.121CC..Hα-helixtrans-56.4-45.9-177.5167.10000113.2L220 V307 Y309 G317 V321 E322 A323L220-V319 HydrophobicContact CB-CG1 3.96Å; L220-V319 HydrophobicContact CD2-CG1 4.08Å; L220-V319 HydrophobicContact CD2-CG2 4.19Å; L220-V319 HydrophobicContact CG-CG1 4.32Å; L220-V319 HydrophobicContact CG-CG2 4.29Å; V307-V319 HydrophobicContact CG1-CG1 4.03Å; Y309-V319 HydrophobicContact CD2-CB 4.08Å; Y309-V319 HydrophobicContact CD2-CG1 3.96Å; Y309-V319 HydrophobicContact CE2-CB 3.82Å; Y309-V319 HydrophobicContact CE2-CG1 4.19Å; Y309-V319 HydrophobicContact CE2-CG2 4.46Å; G317-V319 VanDerWaalsContact C-N 3.3Å; G317-V319 PolarHBondContact O-N 3.26Å; V319-V321 PolarHBondContact O-N 3.47Å; V319-E322 WeakPolarHBondContact O-CB 3.16Å; V319-E322 PolarHBondContact O-N 3.45Å; V319-A323 WeakPolarHBondContact O-CB 3.4Å; V319-A323 PolarHBondContact O-N 3.21Å
320P97.9Very high95.3Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-50.8-41.4169.3-32.732.8000114.3Y309 G317 M324 V330 I342Y309-P320 HydrophobicContact CD1-CG 3.71Å; Y309-P320 HydrophobicContact CD2-CG 4.04Å; Y309-P320 HydrophobicContact CE1-CG 4.02Å; Y309-P320 HydrophobicContact CE2-CG 4.34Å; Y309-P320 HydrophobicContact CG-CG 3.7Å; G317-P320 VanDerWaalsContact O-CD 3.28Å; G317-P320 WeakPolarHBondContact O-CD 3.18Å; P320-M324 WeakPolarHBondContact O-CB 3.47Å; P320-M324 WeakPolarHBondContact O-CE 3.39Å; P320-M324 VanDerWaalsContact O-CG 3.25Å; P320-M324 WeakPolarHBondContact O-CG 3.38Å; P320-M324 PolarHBondContact O-N 3.48Å; P320-V330 HydrophobicContact CB-CG1 4.18Å; P320-V330 HydrophobicContact CB-CG2 4.46Å; P320-V330 HydrophobicContact CG-CG1 4.34Å; P320-I342 HydrophobicContact CB-CD1 4.23Å; P320-I342 HydrophobicContact CB-CG1 4.3Å
321V97.4Very high95.3Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-69.9-42.9178.5-177.50000111L190 F316 I318 V319 A323 M324 Y325 V383 F387L190-V321 HydrophobicContact CB-CG1 4.11Å; L190-V321 HydrophobicContact CD2-CG1 4.36Å; F316-V321 HydrophobicContact CE1-CG2 3.78Å; F316-V321 HydrophobicContact CZ-CG2 3.82Å; I318-V321 HydrophobicContact CD1-CB 4.22Å; I318-V321 WeakPolarHBondContact O-CA 3.05Å; I318-V321 VanDerWaalsContact O-CB 3.3Å; I318-V321 WeakPolarHBondContact O-CB 3.42Å; I318-V321 PolarHBondContact O-N 3.28Å; V319-V321 PolarHBondContact O-N 3.47Å; V321-A323 VanDerWaalsContact C-N 3.34Å; V321-A323 PolarHBondContact O-N 3.33Å; V321-M324 HydrophobicContact CG2-CE 4.23Å; V321-M324 PolarHBondContact O-N 3.4Å; V321-Y325 WeakPolarHBondContact O-CB 3.37Å; V321-Y325 PolarHBondContact O-N 3.01Å; V321-V383 HydrophobicContact CG1-CB 4.44Å; V321-V383 HydrophobicContact CG1-CG1 3.79Å; V321-V383 HydrophobicContact CG1-CG2 3.83Å; V321-F387 HydrophobicContact CG1-CB 3.69Å; V321-F387 HydrophobicContact CG1-CD2 4.39Å; V321-F387 HydrophobicContact CG1-CG 4.24Å; V321-F387 HydrophobicContact CG2-CD2 4.36Å; V321-F387 HydrophobicContact CG2-CG 4.37Å
322E96.8Very high95.4Very high18 Ų1823.6 Ų23.68%0.08412%0.121CC..Hα-helixtrans-57.6-46.1173.9-61.4-179.6132.700111.2L190 F195 K297 L301 I318 V319 Y325 C326L190-E322 HydrophobicContact CD1-CG 3.75Å; F195-E322 HydrophobicContact CE1-CB 3.94Å; F195-E322 HydrophobicContact CE1-CG 4.21Å; F195-E322 HydrophobicContact CE2-CG 4.36Å; F195-E322 HydrophobicContact CZ-CB 3.82Å; F195-E322 HydrophobicContact CZ-CG 3.55Å; K297-E322 IonicContact NZ-OE1 3.62Å; K297-E322 PolarHBondContact NZ-OE1 3.17Å; L301-E322 HydrophobicContact CD1-CB 4.02Å; I318-E322 HydrophobicContact CG1-CG 4.33Å; I318-E322 WeakPolarHBondContact O-CG 3.15Å; I318-E322 PolarHBondContact O-N 2.89Å; V319-E322 WeakPolarHBondContact O-CB 3.16Å; V319-E322 PolarHBondContact O-N 3.45Å; E322-Y325 PolarHBondContact O-N 3.14Å; E322-C326 PolarHBondContact O-N 2.7Å; E322-C326 VanDerWaalsContact O-N 3.14Å
323A97.9Very high95.6Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-64.3-49.1179.100000112.4L301 V307 V319 V321 Y325 C326 S327 C328 V330L301-A323 HydrophobicContact CD2-CB 3.91Å; V307-A323 HydrophobicContact CB-CB 3.96Å; V307-A323 HydrophobicContact CG1-CB 4.49Å; V307-A323 HydrophobicContact CG2-CB 3.56Å; V319-A323 WeakPolarHBondContact O-CB 3.4Å; V319-A323 PolarHBondContact O-N 3.21Å; V321-A323 VanDerWaalsContact C-N 3.34Å; V321-A323 PolarHBondContact O-N 3.33Å; A323-Y325 VanDerWaalsContact C-N 3.28Å; A323-Y325 PolarHBondContact O-N 2.77Å; A323-C326 CarbonylContact O-C 3.5Å; A323-C326 WeakPolarHBondContact O-CA 3.07Å; A323-C326 PolarHBondContact O-N 2.86Å; A323-C326 VanDerWaalsContact O-N 3.13Å; A323-S327 PolarHBondContact O-N 3.39Å; A323-C328 CarbonylContact C-O 3.36Å; A323-C328 HydrophobicContact CB-CB 4.34Å; A323-C328 WeakPolarHBondContact O-CA 3.43Å; A323-C328 VanDerWaalsContact O-CB 3.29Å; A323-C328 WeakPolarHBondContact O-CB 3.38Å; A323-C328 PolarHBondContact O-N 2.82Å; A323-V330 HydrophobicContact CB-CG2 3.65Å
324M98.3Very high95.9Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-58.9-40.5176.9-76.8-172.6-59.700111.6P320 V321 C326 S327 V330 S341 I342 G379 R380 V383P320-M324 WeakPolarHBondContact O-CB 3.47Å; P320-M324 WeakPolarHBondContact O-CE 3.39Å; P320-M324 VanDerWaalsContact O-CG 3.25Å; P320-M324 WeakPolarHBondContact O-CG 3.38Å; P320-M324 PolarHBondContact O-N 3.48Å; V321-M324 HydrophobicContact CG2-CE 4.23Å; V321-M324 PolarHBondContact O-N 3.4Å; M324-C326 VanDerWaalsContact C-N 3.33Å; M324-C326 PolarHBondContact O-N 2.82Å; M324-S327 WeakPolarHBondContact O-CA 3.42Å; M324-S327 PolarHBondContact O-N 3.15Å; M324-V330 HydrophobicContact CG-CG2 3.96Å; M324-S341 WeakPolarHBondContact CE-O 3.48Å; M324-I342 HydrophobicContact SD-CG1 4.48Å; M324-G379 CarbonylContact O-C 3.47Å; M324-R380 WeakPolarHBondContact O-CA 3.44Å; M324-R380 WeakPolarHBondContact O-CB 3.5Å; M324-R380 PolarHBondContact O-N 3.05Å; M324-V383 HydrophobicContact CB-CG2 3.62Å; M324-V383 HydrophobicContact CE-CG2 4.01Å
325Y97.6Very high96.1Very high10 Ų1015.9 Ų15.94%0.0399%0.09CC..Hα-helixtrans-61.7-41.5176.5-170.6-112.9000112.2L190 T192 F195 D196 V321 E322 A323 S327 R380 V383 E384L190-Y325 VanDerWaalsContact CD2-CB 3.48Å; L190-Y325 HydrophobicContact CD2-CD1 3.86Å; L190-Y325 HydrophobicContact CD2-CD2 4.38Å; L190-Y325 HydrophobicContact CD2-CG 3.63Å; T192-Y325 WeakPolarHBondContact CB-OH 3.32Å; T192-Y325 HydrophobicContact CG2-CD2 3.94Å; T192-Y325 HydrophobicContact CG2-CE1 4.17Å; T192-Y325 HydrophobicContact CG2-CE2 3.43Å; T192-Y325 VanDerWaalsContact CG2-CE2 3.43Å; F195-Y325 HydrophobicContact CB-CD1 3.81Å; F195-Y325 HydrophobicContact CB-CE1 3.64Å; F195-Y325 HydrophobicContact CD1-CD1 4.23Å; F195-Y325 HydrophobicContact CG-CD1 4.12Å; F195-Y325 HydrophobicContact CG-CE1 4.42Å; D196-Y325 PolarHBondContact OD1-OH 3.47Å; D196-Y325 PolarHBondContact OD2-OH 3.5Å; V321-Y325 WeakPolarHBondContact O-CB 3.37Å; V321-Y325 PolarHBondContact O-N 3.01Å; E322-Y325 PolarHBondContact O-N 3.14Å; A323-Y325 VanDerWaalsContact C-N 3.28Å; A323-Y325 PolarHBondContact O-N 2.77Å; Y325-S327 PolarHBondContact O-N 2.92Å; Y325-R380 HydrophobicContact CD2-CG 4.44Å; Y325-V383 HydrophobicContact CD2-CB 4.31Å; Y325-V383 HydrophobicContact CD2-CG1 3.82Å; Y325-V383 HydrophobicContact CG-CG1 4.27Å; Y325-E384 HydrophobicContact CD2-CG 4.48Å; Y325-E384 HydrophobicContact CE2-CG 4.05Å
326C96.6Very high96.4Very high17 Ų1713.3 Ų13.312%0.1158%0.079CC..THydrogen-bonded Turntrans-70.110.4172.1-69.10000114L301 Q302 E322 A323 M324 C328L301-C326 HydrophobicContact CB-CB 3.85Å; Q302-C326 HydrophobicContact CG-CB 4.08Å; E322-C326 PolarHBondContact O-N 2.7Å; E322-C326 VanDerWaalsContact O-N 3.14Å; A323-C326 CarbonylContact O-C 3.5Å; A323-C326 WeakPolarHBondContact O-CA 3.07Å; A323-C326 PolarHBondContact O-N 2.86Å; A323-C326 VanDerWaalsContact O-N 3.13Å; M324-C326 VanDerWaalsContact C-N 3.33Å; M324-C326 PolarHBondContact O-N 2.82Å; C326-C328 PolarHBondContact O-N 3.27Å
327S97.8Very high96.6Very high47 Ų4712.9 Ų12.933%0.3298%0.077SC..THydrogen-bonded Turntrans5830.8-176.4-51.70000113.5A323 M324 Y325 G376 R380A323-S327 PolarHBondContact O-N 3.39Å; M324-S327 WeakPolarHBondContact O-CA 3.42Å; M324-S327 PolarHBondContact O-N 3.15Å; Y325-S327 PolarHBondContact O-N 2.92Å; S327-G376 WeakPolarHBondContact CA-O 3.3Å; S327-G376 WeakPolarHBondContact O-CA 3.22Å; S327-R380 WeakPolarHBondContact OG-CD 3.45Å
328C98.2Very high97Very high3 Ų312.5 Ų12.52%0.027%0.074CC..  trans-102.7121.5176.7-169.50000109.7L301 A304 A323 C326L301-C328 VanDerWaalsContact O-CB 3.28Å; L301-C328 WeakPolarHBondContact O-CB 3.21Å; A304-C328 PolarHBondContact O-SG 2.81Å; A323-C328 CarbonylContact C-O 3.36Å; A323-C328 HydrophobicContact CB-CB 4.34Å; A323-C328 WeakPolarHBondContact O-CA 3.43Å; A323-C328 VanDerWaalsContact O-CB 3.29Å; A323-C328 WeakPolarHBondContact O-CB 3.38Å; A323-C328 PolarHBondContact O-N 2.82Å; C326-C328 PolarHBondContact O-N 3.27Å
329P98.6Very high97.2Very high2 Ų214 Ų141%0.0138%0.082CC..  trans-59.2150.3173-24.235000112.3A306 V307 L365 R372 M375A306-P329 CarbonylContact C-O 3.53Å; A306-P329 VanDerWaalsContact CA-O 3.22Å; A306-P329 WeakPolarHBondContact CA-O 3.45Å; A306-P329 WeakPolarHBondContact CB-O 3.33Å; V307-P329 PolarHBondContact N-O 2.94Å; P329-L365 HydrophobicContact CB-CD1 4.09Å; P329-L365 HydrophobicContact CB-CD2 4.49Å; P329-R372 HydrophobicContact CG-CG 3.99Å; P329-R372 WeakPolarHBondContact CG-O 3.26Å; P329-M375 HydrophobicContact CB-CB 4.15Å; P329-M375 HydrophobicContact CG-CB 3.88Å
330V98.7Very high97.2Very high0 Ų014.2 Ų14.20%08%0.081CC..EExtended strand (participates in β ladder)trans-117.6130.6-179.1-171.70000110.3P320 A323 M324 A332 I342 G348 F349P320-V330 HydrophobicContact CB-CG1 4.18Å; P320-V330 HydrophobicContact CB-CG2 4.46Å; P320-V330 HydrophobicContact CG-CG1 4.34Å; A323-V330 HydrophobicContact CB-CG2 3.65Å; M324-V330 HydrophobicContact CG-CG2 3.96Å; V330-A332 HydrophobicContact CG1-CB 4.21Å; V330-I342 HydrophobicContact CB-CD1 3.81Å; V330-I342 HydrophobicContact CB-CG1 4.31Å; V330-I342 HydrophobicContact CG1-CD1 3.58Å; V330-I342 HydrophobicContact CG1-CG1 4.49Å; V330-G348 CarbonylContact O-C 3.59Å; V330-G348 WeakPolarHBondContact O-CA 3.45Å; V330-F349 PolarHBondContact O-N 2.99Å
331I98.9Very high97.1Very high0 Ų014.2 Ų14.20%08%0.081CC..EExtended strand (participates in β ladder)trans-105.3110.4167.6-58171000106.3A306 V307 L308 Y309 F349 F358 A361 M362 L365A306-I331 HydrophobicContact CB-CD1 4.2Å; A306-I331 HydrophobicContact CB-CG1 4.38Å; V307-I331 PolarHBondContact O-N 2.87Å; L308-I331 CarbonylContact C-O 3.55Å; L308-I331 WeakPolarHBondContact CA-O 3.29Å; L308-I331 HydrophobicContact CD2-CB 3.96Å; L308-I331 HydrophobicContact CD2-CD1 3.81Å; L308-I331 HydrophobicContact CD2-CG1 4.35Å; L308-I331 HydrophobicContact CD2-CG2 4.49Å; Y309-I331 PolarHBondContact N-O 2.82Å; I331-F349 WeakPolarHBondContact CA-O 3.41Å; I331-F349 HydrophobicContact CG1-CB 4.5Å; I331-F349 HydrophobicContact CG1-CD2 4.21Å; I331-F358 HydrophobicContact CG2-CD1 3.68Å; I331-F358 HydrophobicContact CG2-CE1 3.87Å; I331-F358 HydrophobicContact CG2-CG 4.07Å; I331-F358 HydrophobicContact CG2-CZ 4.41Å; I331-A361 HydrophobicContact CD1-CB 3.76Å; I331-A361 HydrophobicContact CG1-CB 4.01Å; I331-A361 HydrophobicContact CG2-CB 3.86Å; I331-M362 HydrophobicContact CD1-CB 4.32Å; I331-M362 HydrophobicContact CD1-CG 3.68Å; I331-L365 HydrophobicContact CD1-CD1 4.01Å; I331-L365 HydrophobicContact CG1-CD1 4.21Å
332A98.6Very high97.2Very high0 Ų014.4 Ų14.40%08%0.082CC..EExtended strand (participates in β ladder)trans-124.3155.9-174.300000112.4Y309 V330 N334 P338 I342 F349 L350 C351Y309-A332 HydrophobicContact CD1-CB 4.3Å; Y309-A332 CarbonylContact O-C 3.59Å; Y309-A332 VanDerWaalsContact O-CA 3.26Å; Y309-A332 WeakPolarHBondContact O-CA 3.19Å; V330-A332 HydrophobicContact CG1-CB 4.21Å; A332-N334 PolarHBondContact O-N 3.35Å; A332-P338 HydrophobicContact CB-CB 3.86Å; A332-P338 HydrophobicContact CB-CG 4.35Å; A332-I342 HydrophobicContact CB-CD1 3.36Å; A332-F349 PolarHBondContact N-O 3.16Å; A332-L350 HydrophobicContact CB-CD2 4.26Å; A332-L350 WeakPolarHBondContact O-CA 3.3Å; A332-C351 PolarHBondContact O-N 2.89Å
333V98.4Very high97.2Very high1 Ų114.3 Ų14.31%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-62.2136.2167.2177.80000109L231 Y309 T310 S335 C351 P353 F358L231-V333 HydrophobicContact CD2-CG2 4.19Å; Y309-V333 PolarHBondContact O-N 2.71Å; T310-V333 WeakPolarHBondContact O-CG2 3.45Å; V333-S335 PolarHBondContact O-N 3.18Å; V333-C351 CarbonylContact C-O 3.58Å; V333-C351 WeakPolarHBondContact CA-O 2.79Å; V333-P353 HydrophobicContact CG1-CB 3.97Å; V333-P353 HydrophobicContact CG1-CG 4.4Å; V333-P353 HydrophobicContact CG2-CB 4.02Å; V333-F358 HydrophobicContact CG2-CE2 3.96Å; V333-F358 HydrophobicContact CG2-CZ 3.73Å
334N97.2Very high97.2Very high54 Ų5418 Ų1829%0.28911%0.105SC..SBendtrans-7350.2177.967.1-14.6000113.3A332 L339 L350 C351 E352A332-N334 PolarHBondContact O-N 3.35Å; N334-L339 HydrophobicContact CB-CD2 4.17Å; N334-L350 HydrophobicContact CB-CB 4.02Å; N334-C351 PolarHBondContact N-O 2.93Å; N334-C351 PolarHBondContact OD1-O 2.9Å; N334-E352 PolarHBondContact ND2-OE1 3.11Å
335S95.9Very high97.2Very high29 Ų2923 Ų2320%0.20313%0.128CC..SBendtrans-147.4141-175.6-172.20000111.8R313 V333 P338R313-S335 PolarHBondContact N-OG 3.42Å; R313-S335 VanDerWaalsContact N-OG 3.14Å; V333-S335 PolarHBondContact O-N 3.18Å; S335-P338 WeakPolarHBondContact O-CD 3.5Å
336G93.7Very high97.3Very high2 Ų228.8 Ų28.82%0.02116%0.155CC..SBendtrans73.2-15017500000113.5E314 P338 L339E314-G336 CarbonylContact O-C 3.57Å; E314-G336 WeakPolarHBondContact O-CA 3.47Å; G336-P338 VanDerWaalsContact C-CD 3.44Å; G336-L339 WeakPolarHBondContact O-CB 3.45Å; G336-L339 PolarHBondContact O-N 2.97Å; G336-L339 VanDerWaalsContact O-N 3.13Å
337G93.6Very high97.4Very high0 Ų028.1 Ų28.10%015%0.151CC..THydrogen-bonded Turntrans-54-34-178.600000117.2E314 H315 F316 L339 E340 S341E314-G337 PolarHBondContact O-N 3.18Å; H315-G337 WeakPolarHBondContact O-CA 3.38Å; H315-G337 PolarHBondContact O-N 3.41Å; F316-G337 CarbonylContact O-C 3.55Å; F316-G337 WeakPolarHBondContact O-CA 3.37Å; G337-L339 PolarHBondContact O-N 2.94Å; G337-L339 VanDerWaalsContact O-N 3.13Å; G337-E340 WeakPolarHBondContact O-CB 3.34Å; G337-E340 PolarHBondContact O-N 3.3Å; G337-S341 PolarHBondContact O-N 2.82Å
338P96.4Very high97.4Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-51.2-31.6171.7-33.136.8000115.4Y309 A332 S335 G336 E340 I342 L350Y309-P338 HydrophobicContact CD1-CG 3.67Å; Y309-P338 HydrophobicContact CE1-CG 3.69Å; A332-P338 HydrophobicContact CB-CB 3.86Å; A332-P338 HydrophobicContact CB-CG 4.35Å; S335-P338 WeakPolarHBondContact O-CD 3.5Å; G336-P338 VanDerWaalsContact C-CD 3.44Å; P338-E340 PolarHBondContact O-N 3.28Å; P338-E340 VanDerWaalsContact O-N 3.13Å; P338-I342 HydrophobicContact CB-CD1 4.27Å; P338-I342 WeakPolarHBondContact O-CB 3.45Å; P338-I342 PolarHBondContact O-N 3.21Å; P338-L350 HydrophobicContact CB-CD2 4.14Å
339L97Very high97.4Very high94 Ų9426 Ų2649%0.49214%0.135SC..Hα-helixtrans-62.9-16.9176.2-63.7178000113.2N334 G336 G337 L350N334-L339 HydrophobicContact CB-CD2 4.17Å; G336-L339 WeakPolarHBondContact O-CB 3.45Å; G336-L339 PolarHBondContact O-N 2.97Å; G336-L339 VanDerWaalsContact O-N 3.13Å; G337-L339 PolarHBondContact O-N 2.94Å; G337-L339 VanDerWaalsContact O-N 3.13Å; L339-L350 HydrophobicContact CD2-CD1 3.81Å; L339-L350 HydrophobicContact CD2-CD2 4.43Å
340E95.8Very high97.4Very high21 Ų2127.6 Ų27.610%0.09814%0.144CC..Hα-helixtrans-107-38.2-176.9-57.6-178.1-125.400111.8S164 Q165 F166 Y187 G337 P338 R382S164-E340 WeakPolarHBondContact CB-OE1 3.48Å; Q165-E340 WeakPolarHBondContact CA-OE1 3.35Å; Q165-E340 VanDerWaalsContact CB-CD 3.5Å; Q165-E340 HydrophobicContact CB-CG 4.46Å; Q165-E340 WeakPolarHBondContact CB-OE1 3.41Å; Q165-E340 WeakPolarHBondContact CB-OE2 3.48Å; Q165-E340 VanDerWaalsContact CG-OE2 3.3Å; Q165-E340 WeakPolarHBondContact CG-OE2 3.35Å; Q165-E340 PolarHBondContact N-OE1 3.49Å; Q165-E340 PolarHBondContact N-OE2 2.87Å; F166-E340 PolarHBondContact N-OE1 2.81Å; Y187-E340 HydrophobicContact CE1-CB 4.2Å; Y187-E340 WeakPolarHBondContact CE1-OE2 3.33Å; Y187-E340 PolarHBondContact OH-OE2 2.88Å; G337-E340 WeakPolarHBondContact O-CB 3.34Å; G337-E340 PolarHBondContact O-N 3.3Å; P338-E340 PolarHBondContact O-N 3.28Å; P338-E340 VanDerWaalsContact O-N 3.13Å; E340-R382 PolarHBondContact O-NH2 2.98Å
341S96.3Very high97.4Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-75.4-41.9179.458.70000112.1M324 G337 R382M324-S341 WeakPolarHBondContact CE-O 3.48Å; G337-S341 PolarHBondContact O-N 2.82Å; S341-R382 WeakPolarHBondContact O-CD 3.25Å; S341-R382 PolarHBondContact O-NE 3.03Å
342I97.9Very high97.4Very high4 Ų433.5 Ų33.52%0.02117%0.172CC..  trans-95.1131.9-176.1-58.8166.7000110.1P320 M324 V330 A332 P338 L350P320-I342 HydrophobicContact CB-CD1 4.23Å; P320-I342 HydrophobicContact CB-CG1 4.3Å; M324-I342 HydrophobicContact SD-CG1 4.48Å; V330-I342 HydrophobicContact CB-CD1 3.81Å; V330-I342 HydrophobicContact CB-CG1 4.31Å; V330-I342 HydrophobicContact CG1-CD1 3.58Å; V330-I342 HydrophobicContact CG1-CG1 4.49Å; A332-I342 HydrophobicContact CB-CD1 3.36Å; P338-I342 HydrophobicContact CB-CD1 4.27Å; P338-I342 WeakPolarHBondContact O-CB 3.45Å; P338-I342 PolarHBondContact O-N 3.21Å; I342-L350 HydrophobicContact CB-CD2 4.16Å; I342-L350 HydrophobicContact CB-CG 4.5Å; I342-L350 HydrophobicContact CD1-CD2 4.19Å; I342-L350 HydrophobicContact CG2-CD2 4.34Å; I342-L350 HydrophobicContact CG2-CG 4.29Å
343A98.1Very high97.4Very high16 Ų1636.1 Ų36.113%0.13219%0.189CC..  trans-92114.116400000108.6E346 T347A343-E346 HydrophobicContact CB-CB 3.96Å; A343-E346 PolarHBondContact O-N 2.86Å; A343-E346 VanDerWaalsContact O-N 3.13Å; A343-T347 HydrophobicContact CB-CG2 4.16Å; A343-T347 PolarHBondContact N-OG1 2.79Å; A343-T347 PolarHBondContact O-N 2.8Å; A343-T347 PolarHBondContact O-OG1 2.87Å
344D98.6Very high97.4Very high79 Ų7938.9 Ų38.942%0.42221%0.206SC..BIsolated β-bridgetrans-58.9138.2-175.2-167.236.2000111.8E346 F349 L350D344-E346 PolarHBondContact O-N 3.06Å; D344-F349 WeakPolarHBondContact OD1-CA 3.37Å; D344-L350 HydrophobicContact CB-CB 4.38Å; D344-L350 HydrophobicContact CB-CD1 4.1Å; D344-L350 HydrophobicContact CB-CG 4.29Å; D344-L350 PolarHBondContact OD1-N 3.28Å
345E98.2Very high97.4Very high105 Ų10536.8 Ų36.849%0.49120%0.196SC..THydrogen-bonded Turntrans57.4-0.5-173.3-50.3-153.6122.700116.4G348 F349 R364 M375E345-G348 WeakPolarHBondContact CA-O 3.4Å; E345-G348 PolarHBondContact N-O 3.38Å; E345-F349 HydrophobicContact CB-CE1 4.43Å; E345-F349 HydrophobicContact CG-CD1 4.17Å; E345-F349 HydrophobicContact CG-CE1 4.06Å; E345-R364 IonicContact OE1-CZ 3.71Å; E345-R364 IonicContact OE1-NH1 3.61Å; E345-R364 PolarHBondContact OE1-NH1 2.97Å; E345-R364 IonicContact OE1-NH2 2.68Å; E345-R364 PolarHBondContact OE1-NH2 3.42Å; E345-R364 VanDerWaalsContact OE1-NH2 3.15Å; E345-M375 WeakPolarHBondContact O-CE 3.24Å
346E98.4Very high97.6Very high130 Ų13040.4 Ų40.461%0.60721%0.21SC*.THydrogen-bonded Turntrans-109.1-46.5179.1-68.8-175.8-177.400112.9A343 D344 M375 A378A343-E346 HydrophobicContact CB-CB 3.96Å; A343-E346 PolarHBondContact O-N 2.86Å; A343-E346 VanDerWaalsContact O-N 3.13Å; D344-E346 PolarHBondContact O-N 3.06Å; E346-M375 VanDerWaalsContact O-CA 3.3Å; E346-M375 WeakPolarHBondContact O-CA 3.4Å; E346-M375 WeakPolarHBondContact O-CG 3.09Å; E346-A378 WeakPolarHBondContact O-CB 3.39Å
347T98.3Very high97.8Very high3 Ų341.5 Ų41.52%0.01822%0.219CC..THydrogen-bonded Turntrans-114.5-2.2179.268.50000112.4A343 A378 R382A343-T347 HydrophobicContact CB-CG2 4.16Å; A343-T347 PolarHBondContact N-OG1 2.79Å; A343-T347 PolarHBondContact O-N 2.8Å; A343-T347 PolarHBondContact O-OG1 2.87Å; T347-A378 HydrophobicContact CG2-CB 4.02Å; T347-R382 HydrophobicContact CG2-CB 4.48Å
348G98.6Very high98Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans165.3-160.1-171.900000111.7V330 E345V330-G348 CarbonylContact O-C 3.59Å; V330-G348 WeakPolarHBondContact O-CA 3.45Å; E345-G348 WeakPolarHBondContact CA-O 3.4Å; E345-G348 PolarHBondContact N-O 3.38Å
349F98.8Very high98.1Very high6 Ų641.7 Ų41.73%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-131.1133.7177.4-65.3-67.9000111.1V330 I331 A332 D344 E345 A361 R364 L365 L371 M375V330-F349 PolarHBondContact O-N 2.99Å; I331-F349 WeakPolarHBondContact CA-O 3.41Å; I331-F349 HydrophobicContact CG1-CB 4.5Å; I331-F349 HydrophobicContact CG1-CD2 4.21Å; A332-F349 PolarHBondContact N-O 3.16Å; D344-F349 WeakPolarHBondContact OD1-CA 3.37Å; E345-F349 HydrophobicContact CB-CE1 4.43Å; E345-F349 HydrophobicContact CG-CD1 4.17Å; E345-F349 HydrophobicContact CG-CE1 4.06Å; F349-A361 HydrophobicContact CB-CB 3.98Å; F349-A361 HydrophobicContact CD2-CB 3.7Å; F349-A361 HydrophobicContact CE2-CB 4.38Å; F349-A361 HydrophobicContact CG-CB 3.93Å; F349-R364 HydrophobicContact CE2-CB 4.46Å; F349-R364 HydrophobicContact CZ-CB 4.37Å; F349-L365 HydrophobicContact CE2-CD1 4.35Å; F349-L365 HydrophobicContact CE2-CD2 3.98Å; F349-L365 HydrophobicContact CE2-CG 3.97Å; F349-L371 HydrophobicContact CZ-CD2 4.24Å; F349-M375 HydrophobicContact CD1-CE 4.33Å; F349-M375 HydrophobicContact CD2-CE 4.44Å; F349-M375 HydrophobicContact CE1-CE 3.72Å; F349-M375 HydrophobicContact CE2-CE 3.88Å; F349-M375 HydrophobicContact CE2-SD 4.07Å; F349-M375 HydrophobicContact CZ-CE 3.49Å; F349-M375 VanDerWaalsContact CZ-CE 3.49Å; F349-M375 HydrophobicContact CZ-SD 4.2Å
350L98.8Very high98.2Very high36 Ų3644 Ų4419%0.18823%0.227CC..EExtended strand (participates in β ladder)trans-98.9113.3168.9-66.9174.5000108.8A332 N334 P338 L339 I342 D344A332-L350 HydrophobicContact CB-CD2 4.26Å; A332-L350 WeakPolarHBondContact O-CA 3.3Å; N334-L350 HydrophobicContact CB-CB 4.02Å; P338-L350 HydrophobicContact CB-CD2 4.14Å; L339-L350 HydrophobicContact CD2-CD1 3.81Å; L339-L350 HydrophobicContact CD2-CD2 4.43Å; I342-L350 HydrophobicContact CB-CD2 4.16Å; I342-L350 HydrophobicContact CB-CG 4.5Å; I342-L350 HydrophobicContact CD1-CD2 4.19Å; I342-L350 HydrophobicContact CG2-CD2 4.34Å; I342-L350 HydrophobicContact CG2-CG 4.29Å; D344-L350 HydrophobicContact CB-CB 4.38Å; D344-L350 HydrophobicContact CB-CD1 4.1Å; D344-L350 HydrophobicContact CB-CG 4.29Å; D344-L350 PolarHBondContact OD1-N 3.28Å
351C98.6Very high98.4Very high13 Ų1343.3 Ų43.39%0.08822%0.224CC..EExtended strand (participates in β ladder)trans-115.9150.7-170.7-68.20000111.4A332 V333 N334 A357 F358A332-C351 PolarHBondContact O-N 2.89Å; V333-C351 CarbonylContact C-O 3.58Å; V333-C351 WeakPolarHBondContact CA-O 2.79Å; N334-C351 PolarHBondContact N-O 2.93Å; N334-C351 PolarHBondContact OD1-O 2.9Å; C351-A357 HydrophobicContact CB-CB 4.08Å; C351-F358 HydrophobicContact CB-CD2 3.72Å; C351-F358 HydrophobicContact CB-CE2 3.64Å
352E98.3Very high98.5Very high110 Ų11043.3 Ų43.351%0.51422%0.224SC..  trans-56.3149.1160.3-68.6-59.4138.100110N334 T354 A357 F358N334-E352 PolarHBondContact ND2-OE1 3.11Å; E352-T354 HydrophobicContact CB-CG2 4.4Å; E352-T354 PolarHBondContact O-N 3.13Å; E352-A357 HydrophobicContact CB-CB 4.27Å; E352-F358 WeakPolarHBondContact O-CE2 3.36Å
353P97.6Very high98.5Very high55 Ų5544.9 Ų44.936%0.35723%0.231SC..SBendtrans-76.552.6-17833.5-36.6000112.1L231 V333L231-P353 HydrophobicContact CD2-CB 4.26Å; V333-P353 HydrophobicContact CG1-CB 3.97Å; V333-P353 HydrophobicContact CG1-CG 4.4Å; V333-P353 HydrophobicContact CG2-CB 4.02Å
354T98.5Very high98.5Very high59 Ų5949.3 Ų49.336%0.36225%0.245SC..SBendtrans-124.9148.4178.4780000111.6L231 E352 E356 A357 F358L231-T354 VanDerWaalsContact CD1-C 3.42Å; E352-T354 HydrophobicContact CB-CG2 4.4Å; E352-T354 PolarHBondContact O-N 3.13Å; T354-E356 WeakPolarHBondContact CB-OE2 3.39Å; T354-E356 PolarHBondContact O-N 2.98Å; T354-E356 PolarHBondContact OG1-OE2 2.69Å; T354-A357 PolarHBondContact O-N 2.78Å; T354-A357 PolarHBondContact OG1-N 3.37Å; T354-F358 PolarHBondContact O-N 3.06Å
355A98.6Very high98.5Very high10 Ų1045.5 Ų45.58%0.08322%0.224CC..Hα-helixtrans-59.3-36.9-178.600000111.8E234 V238 S359E234-A355 HydrophobicContact CB-CB 3.76Å; V238-A355 HydrophobicContact CG2-CB 3.8Å; A355-S359 WeakPolarHBondContact O-CB 3.25Å; A355-S359 PolarHBondContact O-N 2.79Å
356E98.7Very high98.4Very high106 Ų10641.3 Ų41.350%0.49521%0.205SC..Hα-helixtrans-67.9-40.3179.5-58.776.6-16800112.3T354 K360T354-E356 WeakPolarHBondContact CB-OE2 3.39Å; T354-E356 PolarHBondContact O-N 2.98Å; T354-E356 PolarHBondContact OG1-OE2 2.69Å; E356-K360 VanDerWaalsContact O-CG 3.26Å; E356-K360 WeakPolarHBondContact O-CG 3.5Å; E356-K360 PolarHBondContact O-N 2.91Å
357A98.7Very high98.3Very high25 Ų2542.2 Ų42.221%0.20720%0.203CC..Hα-helixtrans-66.7-49.1179.500000110.6C351 E352 T354 K360 A361C351-A357 HydrophobicContact CB-CB 4.08Å; E352-A357 HydrophobicContact CB-CB 4.27Å; T354-A357 PolarHBondContact O-N 2.78Å; T354-A357 PolarHBondContact OG1-N 3.37Å; A357-K360 PolarHBondContact O-N 3.33Å; A357-A361 PolarHBondContact O-N 3.17Å
358F98.8Very high98.2Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-61.2-46.3176.1-87.9-114.4000111.6L231 A235 L308 T310 I331 V333 C351 E352 T354 K360 A361 M362L231-F358 HydrophobicContact CD2-CD2 4.1Å; L231-F358 HydrophobicContact CD2-CE1 4.48Å; L231-F358 HydrophobicContact CD2-CE2 3.81Å; L231-F358 HydrophobicContact CD2-CZ 4.02Å; L231-F358 HydrophobicContact CG-CD2 4.48Å; A235-F358 HydrophobicContact CB-CB 3.54Å; L308-F358 HydrophobicContact CD2-CD1 4.4Å; T310-F358 HydrophobicContact CG2-CE1 4.06Å; I331-F358 HydrophobicContact CG2-CD1 3.68Å; I331-F358 HydrophobicContact CG2-CE1 3.87Å; I331-F358 HydrophobicContact CG2-CG 4.07Å; I331-F358 HydrophobicContact CG2-CZ 4.41Å; V333-F358 HydrophobicContact CG2-CE2 3.96Å; V333-F358 HydrophobicContact CG2-CZ 3.73Å; C351-F358 HydrophobicContact CB-CD2 3.72Å; C351-F358 HydrophobicContact CB-CE2 3.64Å; E352-F358 WeakPolarHBondContact O-CE2 3.36Å; T354-F358 PolarHBondContact O-N 3.06Å; F358-K360 VanDerWaalsContact C-N 3.31Å; F358-K360 PolarHBondContact O-N 3.32Å; F358-A361 PolarHBondContact O-N 3.24Å; F358-M362 VanDerWaalsContact O-CG 3.22Å; F358-M362 WeakPolarHBondContact O-CG 3.36Å; F358-M362 PolarHBondContact O-N 3.3Å
359S98.8Very high98.1Very high4 Ų448.2 Ų48.23%0.02824%0.243CC..Hα-helixtrans-57.8-40.9177.9173.50000112.6L239 A355 M362 E363L239-S359 WeakPolarHBondContact CA-OG 3.41Å; L239-S359 WeakPolarHBondContact CB-OG 2.92Å; L239-S359 PolarHBondContact N-OG 2.81Å; A355-S359 WeakPolarHBondContact O-CB 3.25Å; A355-S359 PolarHBondContact O-N 2.79Å; S359-M362 PolarHBondContact O-N 2.77Å; S359-E363 WeakPolarHBondContact O-CB 3.42Å; S359-E363 PolarHBondContact O-N 3.41Å
360K98.6Very high98.1Very high143 Ų14355.9 Ų55.962%0.62227%0.272SS*.Hα-helixtrans-64.7-42.2177.7-76.3171.1-177.8177.40111.8E356 A357 F358 E363 R364E356-K360 VanDerWaalsContact O-CG 3.26Å; E356-K360 WeakPolarHBondContact O-CG 3.5Å; E356-K360 PolarHBondContact O-N 2.91Å; A357-K360 PolarHBondContact O-N 3.33Å; F358-K360 VanDerWaalsContact C-N 3.31Å; F358-K360 PolarHBondContact O-N 3.32Å; K360-E363 PolarHBondContact O-N 3.06Å; K360-R364 WeakPolarHBondContact O-CG 3.39Å; K360-R364 PolarHBondContact O-N 2.86Å
361A98.7Very high98.1Very high5 Ų556.1 Ų56.14%0.04127%0.273CS..Hα-helixtrans-64.4-42.8175.700000111.6I331 F349 A357 F358 E363 R364 L365I331-A361 HydrophobicContact CD1-CB 3.76Å; I331-A361 HydrophobicContact CG1-CB 4.01Å; I331-A361 HydrophobicContact CG2-CB 3.86Å; F349-A361 HydrophobicContact CB-CB 3.98Å; F349-A361 HydrophobicContact CD2-CB 3.7Å; F349-A361 HydrophobicContact CE2-CB 4.38Å; F349-A361 HydrophobicContact CG-CB 3.93Å; A357-A361 PolarHBondContact O-N 3.17Å; F358-A361 PolarHBondContact O-N 3.24Å; A361-E363 VanDerWaalsContact C-N 3.34Å; A361-E363 PolarHBondContact O-N 3.35Å; A361-R364 PolarHBondContact O-N 2.86Å; A361-L365 PolarHBondContact O-N 3.24Å
362M98.7Very high98Very high0 Ų059.1 Ų59.10%028%0.282CS..Hα-helixtrans-58.6-45.6174.1-67.3167.778.500111.3F217 A235 L236 L239 L308 I331 F358 S359 R364 L365 I366F217-M362 HydrophobicContact CB-CE 4.27Å; F217-M362 HydrophobicContact CD1-CE 3.84Å; F217-M362 HydrophobicContact CD1-CG 4.05Å; F217-M362 HydrophobicContact CD2-CE 3.54Å; F217-M362 HydrophobicContact CE1-CB 3.73Å; F217-M362 HydrophobicContact CE1-CE 4.03Å; F217-M362 HydrophobicContact CE1-CG 3.63Å; F217-M362 HydrophobicContact CE2-CB 4.42Å; F217-M362 HydrophobicContact CE2-CE 3.74Å; F217-M362 HydrophobicContact CG-CE 3.59Å; F217-M362 HydrophobicContact CZ-CB 3.62Å; F217-M362 HydrophobicContact CZ-CE 3.97Å; F217-M362 HydrophobicContact CZ-CG 3.98Å; A235-M362 HydrophobicContact CB-SD 3.96Å; L236-M362 HydrophobicContact CD1-CE 4.46Å; L239-M362 HydrophobicContact CD1-CB 4.41Å; L239-M362 HydrophobicContact CD2-CB 3.89Å; L239-M362 HydrophobicContact CD2-CE 3.63Å; L239-M362 HydrophobicContact CD2-SD 4.32Å; L308-M362 HydrophobicContact CD1-CE 3.98Å; L308-M362 HydrophobicContact CD1-SD 4.06Å; L308-M362 HydrophobicContact CD2-CG 3.88Å; L308-M362 HydrophobicContact CD2-SD 4.17Å; I331-M362 HydrophobicContact CD1-CB 4.32Å; I331-M362 HydrophobicContact CD1-CG 3.68Å; F358-M362 VanDerWaalsContact O-CG 3.22Å; F358-M362 WeakPolarHBondContact O-CG 3.36Å; F358-M362 PolarHBondContact O-N 3.3Å; S359-M362 PolarHBondContact O-N 2.77Å; M362-R364 PolarHBondContact O-N 3.49Å; M362-L365 PolarHBondContact O-N 3.1Å; M362-I366 WeakPolarHBondContact O-CG1 3.41Å; M362-I366 PolarHBondContact O-N 3.47Å; M362-I366 VanDerWaalsContact O-N 3.08Å
363E98.3Very high98Very high38 Ų3860.4 Ų60.418%0.17828%0.283CS..Hα-helixtrans-63.4-39.8179.8-171.1172.7172.100112.5L239 S242 S359 K360 A361 L365 I366 R367L239-E363 HydrophobicContact CD1-CB 3.69Å; L239-E363 HydrophobicContact CD1-CG 4.26Å; S242-E363 WeakPolarHBondContact CB-OE2 3.49Å; S242-E363 PolarHBondContact OG-OE2 3.14Å; S359-E363 WeakPolarHBondContact O-CB 3.42Å; S359-E363 PolarHBondContact O-N 3.41Å; K360-E363 PolarHBondContact O-N 3.06Å; A361-E363 VanDerWaalsContact C-N 3.34Å; A361-E363 PolarHBondContact O-N 3.35Å; E363-L365 VanDerWaalsContact C-N 3.32Å; E363-L365 PolarHBondContact O-N 2.9Å; E363-I366 PolarHBondContact O-N 3.49Å; E363-R367 HydrophobicContact CG-CG 4.38Å; E363-R367 WeakPolarHBondContact O-CB 3.43Å; E363-R367 WeakPolarHBondContact O-CG 3.45Å; E363-R367 PolarHBondContact O-N 3.42Å; E363-R367 IonicContact OE1-CZ 3.05Å; E363-R367 IonicContact OE1-NE 3.87Å; E363-R367 PolarHBondContact OE1-NE 3.15Å; E363-R367 IonicContact OE1-NH2 3.48Å; E363-R367 PolarHBondContact OE1-NH2 2.89Å
364R98.1Very high98.1Very high108 Ų10860.8 Ų60.841%0.40828%0.281SS..Hα-helixtrans-57-45.4174.3-74.1174.573.7176.22.6111.5E345 F349 K360 A361 M362 R367 D368E345-R364 IonicContact OE1-CZ 3.71Å; E345-R364 IonicContact OE1-NH1 3.61Å; E345-R364 PolarHBondContact OE1-NH1 2.97Å; E345-R364 IonicContact OE1-NH2 2.68Å; E345-R364 PolarHBondContact OE1-NH2 3.42Å; E345-R364 VanDerWaalsContact OE1-NH2 3.15Å; F349-R364 HydrophobicContact CE2-CB 4.46Å; F349-R364 HydrophobicContact CZ-CB 4.37Å; K360-R364 WeakPolarHBondContact O-CG 3.39Å; K360-R364 PolarHBondContact O-N 2.86Å; A361-R364 PolarHBondContact O-N 2.86Å; M362-R364 PolarHBondContact O-N 3.49Å; R364-R367 PolarHBondContact O-N 3.05Å; R364-D368 PolarHBondContact O-N 3.28Å
365L98Very high98.1Very high0 Ų058.1 Ų58.10%027%0.265CS..Hα-helixtrans-72.3-26.7-179.2-64.1178.3000113.7T305 A306 P329 I331 F349 A361 M362 E363 L371 R372 M375T305-L365 HydrophobicContact CG2-CB 4.18Å; A306-L365 HydrophobicContact CB-CD1 3.54Å; P329-L365 HydrophobicContact CB-CD1 4.09Å; P329-L365 HydrophobicContact CB-CD2 4.49Å; I331-L365 HydrophobicContact CD1-CD1 4.01Å; I331-L365 HydrophobicContact CG1-CD1 4.21Å; F349-L365 HydrophobicContact CE2-CD1 4.35Å; F349-L365 HydrophobicContact CE2-CD2 3.98Å; F349-L365 HydrophobicContact CE2-CG 3.97Å; A361-L365 PolarHBondContact O-N 3.24Å; M362-L365 PolarHBondContact O-N 3.1Å; E363-L365 VanDerWaalsContact C-N 3.32Å; E363-L365 PolarHBondContact O-N 2.9Å; L365-L371 HydrophobicContact CD2-CG 4.47Å; L365-R372 HydrophobicContact CD2-CB 4.13Å; L365-M375 HydrophobicContact CD2-SD 3.83Å
366I96.8Very high98.1Very high16 Ų1657.6 Ų57.68%0.08226%0.261CS..Hα-helixtrans-68.7-45.1170.1-72.6172.4000110.5H215 F217 L239 L243 V251 M362 E363H215-I366 HydrophobicContact CB-CG1 4.3Å; F217-I366 HydrophobicContact CE2-CD1 3.93Å; F217-I366 HydrophobicContact CE2-CG1 4.26Å; F217-I366 HydrophobicContact CZ-CD1 3.99Å; F217-I366 HydrophobicContact CZ-CG1 3.98Å; L239-I366 HydrophobicContact CD1-CD1 4.22Å; L239-I366 HydrophobicContact CD2-CD1 3.81Å; L239-I366 HydrophobicContact CG-CD1 4.47Å; L243-I366 HydrophobicContact CD1-CD1 4.08Å; V251-I366 HydrophobicContact CG2-CD1 3.91Å; M362-I366 WeakPolarHBondContact O-CG1 3.41Å; M362-I366 PolarHBondContact O-N 3.47Å; M362-I366 VanDerWaalsContact O-N 3.08Å; E363-I366 PolarHBondContact O-N 3.49Å
367R95.8Very high98.1Very high149 Ų14956.9 Ų56.956%0.56226%0.258SS*.Hα-helixtrans-77.5-30.4-173-69.8179.1-179.8-80.6-0.1113.4E363 R364E363-R367 HydrophobicContact CG-CG 4.38Å; E363-R367 WeakPolarHBondContact O-CB 3.43Å; E363-R367 WeakPolarHBondContact O-CG 3.45Å; E363-R367 PolarHBondContact O-N 3.42Å; E363-R367 IonicContact OE1-CZ 3.05Å; E363-R367 IonicContact OE1-NE 3.87Å; E363-R367 PolarHBondContact OE1-NE 3.15Å; E363-R367 IonicContact OE1-NH2 3.48Å; E363-R367 PolarHBondContact OE1-NH2 2.89Å; R364-R367 PolarHBondContact O-N 3.05Å
368D97.4Very high98.1Very high72 Ų7256.8 Ų56.839%0.38526%0.256SS..  trans-12191-176.7-167.7-18.4000111.9R364 R370 L371 R372R364-D368 PolarHBondContact O-N 3.28Å; D368-R370 PolarHBondContact O-N 3.19Å; D368-R370 WeakPolarHBondContact OD1-CA 3.1Å; D368-R370 WeakPolarHBondContact OD1-CB 3.49Å; D368-R370 PolarHBondContact OD1-N 2.98Å; D368-L371 HydrophobicContact CB-CB 3.74Å; D368-L371 HydrophobicContact CB-CD2 4.38Å; D368-L371 PolarHBondContact O-N 3.05Å; D368-L371 PolarHBondContact OD1-N 3.12Å; D368-R372 PolarHBondContact O-N 3.49Å; D368-R372 VanDerWaalsContact O-N 3.1Å
369A96.3Very high98.1Very high58 Ų5856.8 Ų56.848%0.47926%0.256SS..Hα-helixtrans-65.7-25.1176.900000113.1R373A369-R373 PolarHBondContact O-N 3.17Å
370R98.3Very high98Very high167 Ų16760.7 Ų60.763%0.6327%0.271SS*.Hα-helixtrans-72.5-49.6176.2173.6176.8-178.2-177.52.6109.4D368 R372 R373 D374D368-R370 PolarHBondContact O-N 3.19Å; D368-R370 WeakPolarHBondContact OD1-CA 3.1Å; D368-R370 WeakPolarHBondContact OD1-CB 3.49Å; D368-R370 PolarHBondContact OD1-N 2.98Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.34Å; R370-R373 PolarHBondContact O-N 3.2Å; R370-R373 VanDerWaalsContact O-N 3.14Å; R370-D374 VanDerWaalsContact CG-OD2 3.3Å; R370-D374 WeakPolarHBondContact CG-OD2 3.4Å; R370-D374 IonicContact NE-OD2 3.42Å; R370-D374 PolarHBondContact NE-OD2 3.44Å; R370-D374 WeakPolarHBondContact O-CB 3.26Å; R370-D374 PolarHBondContact O-N 3.19Å
371L98.3Very high98Very high40 Ų4059.9 Ų59.921%0.20926%0.264CS..Hα-helixtrans-52.1-49.1174.4178.364.8000111.1F349 L365 D368 R373 D374 M375F349-L371 HydrophobicContact CZ-CD2 4.24Å; L365-L371 HydrophobicContact CD2-CG 4.47Å; D368-L371 HydrophobicContact CB-CB 3.74Å; D368-L371 HydrophobicContact CB-CD2 4.38Å; D368-L371 PolarHBondContact O-N 3.05Å; D368-L371 PolarHBondContact OD1-N 3.12Å; L371-R373 PolarHBondContact O-N 3.37Å; L371-D374 PolarHBondContact O-N 3.23Å; L371-M375 HydrophobicContact CD1-CE 3.93Å; L371-M375 HydrophobicContact CD1-CG 4.1Å; L371-M375 HydrophobicContact CD1-SD 4.07Å; L371-M375 HydrophobicContact CG-CE 4.33Å; L371-M375 HydrophobicContact CG-CG 4.42Å; L371-M375 HydrophobicContact CG-SD 3.99Å; L371-M375 WeakPolarHBondContact O-CB 3.45Å; L371-M375 WeakPolarHBondContact O-CG 3.19Å; L371-M375 PolarHBondContact O-N 2.93Å
372R97.8Very high98Very high76 Ų7662.1 Ų62.129%0.28727%0.271SS..Hα-helixtrans-54.7-48.4177.3-178-177.167.4179.9-3.2112.7T305 P329 L365 D368 R370 G376T305-R372 PolarHBondContact OG1-NH1 3.07Å; P329-R372 HydrophobicContact CG-CG 3.99Å; P329-R372 WeakPolarHBondContact CG-O 3.26Å; L365-R372 HydrophobicContact CD2-CB 4.13Å; D368-R372 PolarHBondContact O-N 3.49Å; D368-R372 VanDerWaalsContact O-N 3.1Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.34Å; R372-G376 PolarHBondContact O-N 3.18Å
373R98.2Very high97.9Very high138 Ų13862.1 Ų62.152%0.52127%0.271SS..Hα-helixtrans-65.6-46.5179174.1-174.154.6-164.3-16.4111.5A369 R370 L371 M375 G376 Q377A369-R373 PolarHBondContact O-N 3.17Å; R370-R373 PolarHBondContact O-N 3.2Å; R370-R373 VanDerWaalsContact O-N 3.14Å; L371-R373 PolarHBondContact O-N 3.37Å; R373-M375 VanDerWaalsContact C-N 3.32Å; R373-M375 PolarHBondContact O-N 3.23Å; R373-G376 PolarHBondContact O-N 3.44Å; R373-Q377 WeakPolarHBondContact O-CG 3.5Å; R373-Q377 PolarHBondContact O-N 3.42Å
374D98.6Very high97.8Very high62 Ų6264 Ų6433%0.33228%0.28SS..Hα-helixtrans-65-40.6-175.5-64.1-0.3000109.6R370 L371 Q377 A378R370-D374 VanDerWaalsContact CG-OD2 3.3Å; R370-D374 WeakPolarHBondContact CG-OD2 3.4Å; R370-D374 IonicContact NE-OD2 3.42Å; R370-D374 PolarHBondContact NE-OD2 3.44Å; R370-D374 WeakPolarHBondContact O-CB 3.26Å; R370-D374 PolarHBondContact O-N 3.19Å; L371-D374 PolarHBondContact O-N 3.23Å; D374-Q377 PolarHBondContact O-N 3.15Å; D374-A378 WeakPolarHBondContact O-CB 3.45Å; D374-A378 PolarHBondContact O-N 2.89Å
375M98.7Very high97.7Very high3 Ų365.7 Ų65.72%0.01529%0.292CS..Hα-helixtrans-62.1-46.1171.9-76.4-179.5153.600113.2P329 E345 E346 F349 L365 L371 R373 Q377 A378 G379P329-M375 HydrophobicContact CB-CB 4.15Å; P329-M375 HydrophobicContact CG-CB 3.88Å; E345-M375 WeakPolarHBondContact O-CE 3.24Å; E346-M375 VanDerWaalsContact O-CA 3.3Å; E346-M375 WeakPolarHBondContact O-CA 3.4Å; E346-M375 WeakPolarHBondContact O-CG 3.09Å; F349-M375 HydrophobicContact CD1-CE 4.33Å; F349-M375 HydrophobicContact CD2-CE 4.44Å; F349-M375 HydrophobicContact CE1-CE 3.72Å; F349-M375 HydrophobicContact CE2-CE 3.88Å; F349-M375 HydrophobicContact CE2-SD 4.07Å; F349-M375 HydrophobicContact CZ-CE 3.49Å; F349-M375 VanDerWaalsContact CZ-CE 3.49Å; F349-M375 HydrophobicContact CZ-SD 4.2Å; L365-M375 HydrophobicContact CD2-SD 3.83Å; L371-M375 HydrophobicContact CD1-CE 3.93Å; L371-M375 HydrophobicContact CD1-CG 4.1Å; L371-M375 HydrophobicContact CD1-SD 4.07Å; L371-M375 HydrophobicContact CG-CE 4.33Å; L371-M375 HydrophobicContact CG-CG 4.42Å; L371-M375 HydrophobicContact CG-SD 3.99Å; L371-M375 WeakPolarHBondContact O-CB 3.45Å; L371-M375 WeakPolarHBondContact O-CG 3.19Å; L371-M375 PolarHBondContact O-N 2.93Å; R373-M375 VanDerWaalsContact C-N 3.32Å; R373-M375 PolarHBondContact O-N 3.23Å; M375-Q377 VanDerWaalsContact C-N 3.34Å; M375-Q377 PolarHBondContact O-N 3.42Å; M375-A378 PolarHBondContact O-N 3.03Å; M375-G379 PolarHBondContact O-N 2.89Å
376G98.5Very high97.6Very high0 Ų070.9 Ų70.90%031%0.312CS..Hα-helixtrans-58.3-46.2177.600000112.1S327 R372 R373 G379 R380S327-G376 WeakPolarHBondContact CA-O 3.3Å; S327-G376 WeakPolarHBondContact O-CA 3.22Å; R372-G376 PolarHBondContact O-N 3.18Å; R373-G376 PolarHBondContact O-N 3.44Å; G376-G379 PolarHBondContact O-N 3.45Å; G376-R380 PolarHBondContact O-N 2.99Å
377Q98.6Very high97.5Very high91 Ų9170.2 Ų70.243%0.42531%0.309SS..Hα-helixtrans-65.8-39.7177.6-69.6179.3-3.600112.8R373 D374 M375 G379 R380 R381R373-Q377 WeakPolarHBondContact O-CG 3.5Å; R373-Q377 PolarHBondContact O-N 3.42Å; D374-Q377 PolarHBondContact O-N 3.15Å; M375-Q377 VanDerWaalsContact C-N 3.34Å; M375-Q377 PolarHBondContact O-N 3.42Å; Q377-G379 VanDerWaalsContact C-N 3.34Å; Q377-R380 PolarHBondContact O-N 3.46Å; Q377-R381 PolarHBondContact O-N 3.46Å; Q377-R381 VanDerWaalsContact O-N 3.16Å
378A98.8Very high97.4Very high22 Ų2263.7 Ų63.718%0.18229%0.286CS..Hα-helixtrans-63.3-41.9174.300000111.4E346 T347 D374 M375 R381 R382E346-A378 WeakPolarHBondContact O-CB 3.39Å; T347-A378 HydrophobicContact CG2-CB 4.02Å; D374-A378 WeakPolarHBondContact O-CB 3.45Å; D374-A378 PolarHBondContact O-N 2.89Å; M375-A378 PolarHBondContact O-N 3.03Å; A378-R381 PolarHBondContact O-N 3.12Å; A378-R382 WeakPolarHBondContact O-CB 3.35Å; A378-R382 PolarHBondContact O-N 3.35Å
379G98.5Very high97.2Very high0 Ų062 Ų620%028%0.276CS..Hα-helixtrans-57.1-50174.300000112.1M324 M375 G376 Q377 R381 R382 V383M324-G379 CarbonylContact O-C 3.47Å; M375-G379 PolarHBondContact O-N 2.89Å; G376-G379 PolarHBondContact O-N 3.45Å; Q377-G379 VanDerWaalsContact C-N 3.34Å; G379-R381 PolarHBondContact O-N 2.83Å; G379-R382 WeakPolarHBondContact O-CB 3.44Å; G379-R382 PolarHBondContact O-N 3.45Å; G379-V383 WeakPolarHBondContact O-CG2 3.18Å; G379-V383 PolarHBondContact O-N 3.12Å
380R98.1Very high96.9Very high87 Ų8764.4 Ų64.433%0.32828%0.278SS..Hα-helixtrans-58.8-49.4179.2180173.4176.3149.19.3112.3M324 Y325 S327 G376 Q377 R382 V383 E384M324-R380 WeakPolarHBondContact O-CA 3.44Å; M324-R380 WeakPolarHBondContact O-CB 3.5Å; M324-R380 PolarHBondContact O-N 3.05Å; Y325-R380 HydrophobicContact CD2-CG 4.44Å; S327-R380 WeakPolarHBondContact OG-CD 3.45Å; G376-R380 PolarHBondContact O-N 2.99Å; Q377-R380 PolarHBondContact O-N 3.46Å; R380-R382 VanDerWaalsContact C-N 3.31Å; R380-R382 PolarHBondContact O-N 3.4Å; R380-V383 PolarHBondContact O-N 3.36Å; R380-V383 VanDerWaalsContact O-N 3.13Å; R380-E384 HydrophobicContact CG-CG 4.49Å; R380-E384 IonicContact CZ-OE1 2.84Å; R380-E384 IonicContact NE-OE1 3.3Å; R380-E384 PolarHBondContact NE-OE1 3.19Å; R380-E384 IonicContact NH2-OE1 3.43Å; R380-E384 WeakPolarHBondContact O-CG 3.46Å; R380-E384 PolarHBondContact O-N 3.18Å
381R98.3Very high96.7Very high125 Ų12557 Ų5747%0.47225%0.252SS..Hα-helixtrans-57.1-45.3177.5-73.7-170.7-64.9-90.80.1111.6Q377 A378 G379 V383 E384 E385Q377-R381 PolarHBondContact O-N 3.46Å; Q377-R381 VanDerWaalsContact O-N 3.16Å; A378-R381 PolarHBondContact O-N 3.12Å; G379-R381 PolarHBondContact O-N 2.83Å; R381-V383 VanDerWaalsContact C-N 3.3Å; R381-V383 PolarHBondContact O-N 3.07Å; R381-E384 PolarHBondContact O-N 2.97Å; R381-E385 WeakPolarHBondContact O-CB 3.4Å; R381-E385 VanDerWaalsContact O-CG 3.31Å; R381-E385 WeakPolarHBondContact O-CG 3.36Å; R381-E385 PolarHBondContact O-N 3.46Å
382R97.9Very high96.6Very high52 Ų5255.2 Ų55.220%0.19624%0.243CC..Hα-helixtrans-58.9-41.3177.6-176.9-179.2-179.186.6-3.5112.1E340 S341 T347 A378 G379 R380 R386 F387E340-R382 PolarHBondContact O-NH2 2.98Å; S341-R382 WeakPolarHBondContact O-CD 3.25Å; S341-R382 PolarHBondContact O-NE 3.03Å; T347-R382 HydrophobicContact CG2-CB 4.48Å; A378-R382 WeakPolarHBondContact O-CB 3.35Å; A378-R382 PolarHBondContact O-N 3.35Å; G379-R382 WeakPolarHBondContact O-CB 3.44Å; G379-R382 PolarHBondContact O-N 3.45Å; R380-R382 VanDerWaalsContact C-N 3.31Å; R380-R382 PolarHBondContact O-N 3.4Å; R382-R386 WeakPolarHBondContact O-CB 3.49Å; R382-R386 PolarHBondContact O-N 3.27Å; R382-F387 HydrophobicContact CG-CE2 4.16Å
383V97.7Very high96.4Very high0 Ų051.7 Ų51.70%023%0.23CC..Hα-helixtrans-64.6-48.7176174.30000111.3L190 V321 M324 Y325 G379 R380 R381 E385 R386 F387 S388L190-V383 HydrophobicContact CD2-CG1 4.18Å; V321-V383 HydrophobicContact CG1-CB 4.44Å; V321-V383 HydrophobicContact CG1-CG1 3.79Å; V321-V383 HydrophobicContact CG1-CG2 3.83Å; M324-V383 HydrophobicContact CB-CG2 3.62Å; M324-V383 HydrophobicContact CE-CG2 4.01Å; Y325-V383 HydrophobicContact CD2-CB 4.31Å; Y325-V383 HydrophobicContact CD2-CG1 3.82Å; Y325-V383 HydrophobicContact CG-CG1 4.27Å; G379-V383 WeakPolarHBondContact O-CG2 3.18Å; G379-V383 PolarHBondContact O-N 3.12Å; R380-V383 PolarHBondContact O-N 3.36Å; R380-V383 VanDerWaalsContact O-N 3.13Å; R381-V383 VanDerWaalsContact C-N 3.3Å; R381-V383 PolarHBondContact O-N 3.07Å; V383-E385 VanDerWaalsContact C-N 3.25Å; V383-E385 PolarHBondContact O-N 3.36Å; V383-R386 PolarHBondContact O-N 2.98Å; V383-F387 HydrophobicContact CG1-CB 4.22Å; V383-F387 HydrophobicContact CG2-CD2 4.3Å; V383-F387 CarbonylContact O-C 3.54Å; V383-F387 WeakPolarHBondContact O-CA 3.26Å; V383-F387 PolarHBondContact O-N 3.33Å; V383-S388 PolarHBondContact O-N 3.36Å
384E95.9Very high96.3Very high79 Ų7949.2 Ų49.237%0.36923%0.227SC..Hα-helixtrans-57-40.8179-71168.617000111.6Y325 R380 R381 S388Y325-E384 HydrophobicContact CD2-CG 4.48Å; Y325-E384 HydrophobicContact CE2-CG 4.05Å; R380-E384 HydrophobicContact CG-CG 4.49Å; R380-E384 IonicContact CZ-OE1 2.84Å; R380-E384 IonicContact NE-OE1 3.3Å; R380-E384 PolarHBondContact NE-OE1 3.19Å; R380-E384 IonicContact NH2-OE1 3.43Å; R380-E384 WeakPolarHBondContact O-CG 3.46Å; R380-E384 PolarHBondContact O-N 3.18Å; R381-E384 PolarHBondContact O-N 2.97Å; E384-S388 VanDerWaalsContact O-CB 3.31Å; E384-S388 WeakPolarHBondContact O-CB 3.24Å; E384-S388 PolarHBondContact O-OG 2.77Å
385E95.8Very high96.2Very high142 Ų14249.8 Ų49.866%0.66423%0.227SC*.Hα-helixtrans-75.7-38.6-179.4-71.1170.3-172.800114.4R381 V383 A391R381-E385 WeakPolarHBondContact O-CB 3.4Å; R381-E385 VanDerWaalsContact O-CG 3.31Å; R381-E385 WeakPolarHBondContact O-CG 3.36Å; R381-E385 PolarHBondContact O-N 3.46Å; V383-E385 VanDerWaalsContact C-N 3.25Å; V383-E385 PolarHBondContact O-N 3.36Å; E385-A391 WeakPolarHBondContact O-CB 3.44Å
386R95.6Very high96.1Very high110 Ų11049.6 Ų49.642%0.41523%0.227SC..Hα-helixtrans-118.8-26.7-166.2-52.4-167.891.1-158.76115.3R382 V383R382-R386 WeakPolarHBondContact O-CB 3.49Å; R382-R386 PolarHBondContact O-N 3.27Å; V383-R386 PolarHBondContact O-N 2.98Å
387F95.5Very high96Very high2 Ų253.3 Ų53.31%0.00924%0.241CC..THydrogen-bonded Turntrans-124.96.8-170.3-51.2-61.6000113Y187 S189 L190 F316 V321 R382 V383Y187-F387 HydrophobicContact CD1-CE1 4.02Å; Y187-F387 HydrophobicContact CD2-CD1 4.39Å; Y187-F387 AromaticContact CD2-CE1 3.87Å; Y187-F387 HydrophobicContact CD2-CE1 3.87Å; Y187-F387 HydrophobicContact CE1-CE1 4.49Å; Y187-F387 HydrophobicContact CE2-CE1 4.37Å; Y187-F387 HydrophobicContact CG-CD1 4.05Å; Y187-F387 AromaticContact CG-CE1 3.69Å; Y187-F387 HydrophobicContact CG-CE1 3.69Å; S189-F387 CarbonylContact C-O 3.59Å; S189-F387 WeakPolarHBondContact CA-O 3.11Å; L190-F387 PolarHBondContact N-O 2.92Å; F316-F387 HydrophobicContact CE2-CD1 4.44Å; F316-F387 HydrophobicContact CE2-CE1 4.1Å; F316-F387 AromaticContact CZ-CD1 3.82Å; F316-F387 HydrophobicContact CZ-CD1 3.82Å; F316-F387 AromaticContact CZ-CE1 3.9Å; F316-F387 HydrophobicContact CZ-CE1 3.9Å; V321-F387 HydrophobicContact CG1-CB 3.69Å; V321-F387 HydrophobicContact CG1-CD2 4.39Å; V321-F387 HydrophobicContact CG1-CG 4.24Å; V321-F387 HydrophobicContact CG2-CD2 4.36Å; V321-F387 HydrophobicContact CG2-CG 4.37Å; R382-F387 HydrophobicContact CG-CE2 4.16Å; V383-F387 HydrophobicContact CG1-CB 4.22Å; V383-F387 HydrophobicContact CG2-CD2 4.3Å; V383-F387 CarbonylContact O-C 3.54Å; V383-F387 WeakPolarHBondContact O-CA 3.26Å; V383-F387 PolarHBondContact O-N 3.33Å
388S93.8Very high95.9Very high12 Ų1250.8 Ų50.88%0.08424%0.239CC..BIsolated β-bridgetrans-72.9156.6173.165.80000111.2V383 E384 Q390 A391 F392V383-S388 PolarHBondContact O-N 3.36Å; E384-S388 VanDerWaalsContact O-CB 3.31Å; E384-S388 WeakPolarHBondContact O-CB 3.24Å; E384-S388 PolarHBondContact O-OG 2.77Å; S388-Q390 PolarHBondContact O-N 2.98Å; S388-A391 PolarHBondContact O-N 2.96Å; S388-A391 VanDerWaalsContact O-N 3.15Å; S388-A391 WeakPolarHBondContact OG-CB 3.45Å; S388-A391 PolarHBondContact OG-N 3.49Å; S388-A391 VanDerWaalsContact OG-N 3.14Å; S388-F392 PolarHBondContact O-N 3.48Å
389L91.3Very high95.8Very high36 Ų3651.6 Ų51.619%0.18824%0.238CC..Hα-helixtrans-55.7-33.6172.3-173.565.2000112.1D22 A26 L190 F392 S393D22-L389 HydrophobicContact CB-CD1 3.99Å; A26-L389 HydrophobicContact CB-CD1 4.31Å; L190-L389 PolarHBondContact O-N 3.42Å; L389-F392 HydrophobicContact CD1-CD1 4.3Å; L389-S393 WeakPolarHBondContact O-CB 3.24Å; L389-S393 PolarHBondContact O-N 3.24Å
390Q92.1Very high95.6Very high108 Ų10851.6 Ų51.651%0.50524%0.238SC..Hα-helixtrans-68.7-44.5176.6-171.662.654.300112.4S388 F392 S393 N394S388-Q390 PolarHBondContact O-N 2.98Å; Q390-F392 VanDerWaalsContact C-N 3.34Å; Q390-S393 PolarHBondContact O-N 3.13Å; Q390-N394 PolarHBondContact NE2-OD1 3.32Å; Q390-N394 PolarHBondContact O-N 2.97Å; Q390-N394 PolarHBondContact O-ND2 3.25Å
391A93.6Very high95.4Very high11 Ų1149.9 Ų49.99%0.09124%0.237CC..Hα-helixtrans-61.2-45.2176.800000111.1E385 S388 N394 Q395E385-A391 WeakPolarHBondContact O-CB 3.44Å; S388-A391 PolarHBondContact O-N 2.96Å; S388-A391 VanDerWaalsContact O-N 3.15Å; S388-A391 WeakPolarHBondContact OG-CB 3.45Å; S388-A391 PolarHBondContact OG-N 3.49Å; S388-A391 VanDerWaalsContact OG-N 3.14Å; A391-N394 PolarHBondContact O-N 2.92Å; A391-Q395 WeakPolarHBondContact O-CG 3.41Å; A391-Q395 PolarHBondContact O-N 3.44Å; A391-Q395 VanDerWaalsContact O-N 3.14Å
392F94.9Very high95.2Very high3 Ų349.6 Ų49.61%0.01324%0.241CC..Hα-helixtrans-60.2-47.1174.1174.9-103.3000112.4L19 D22 A23 A26 L186 Y187 S388 L389 Q390 N394 Q395 L396L19-F392 HydrophobicContact CG-CZ 4.47Å; D22-F392 HydrophobicContact CB-CE1 4.45Å; A23-F392 HydrophobicContact CB-CE1 3.96Å; A23-F392 HydrophobicContact CB-CZ 3.92Å; A26-F392 HydrophobicContact CB-CD1 4.04Å; A26-F392 HydrophobicContact CB-CE1 4.23Å; L186-F392 HydrophobicContact CD1-CD2 3.56Å; L186-F392 HydrophobicContact CD1-CE2 3.88Å; L186-F392 HydrophobicContact CD1-CG 4.43Å; L186-F392 HydrophobicContact CD2-CD2 4.03Å; L186-F392 HydrophobicContact CD2-CE2 3.44Å; L186-F392 VanDerWaalsContact CD2-CE2 3.44Å; L186-F392 HydrophobicContact CD2-CZ 4.04Å; L186-F392 HydrophobicContact CG-CD2 3.65Å; L186-F392 HydrophobicContact CG-CE2 3.45Å; L186-F392 VanDerWaalsContact CG-CE2 3.45Å; L186-F392 HydrophobicContact CG-CZ 4.49Å; Y187-F392 WeakPolarHBondContact O-CD2 3.29Å; S388-F392 PolarHBondContact O-N 3.48Å; L389-F392 HydrophobicContact CD1-CD1 4.3Å; Q390-F392 VanDerWaalsContact C-N 3.34Å; F392-N394 PolarHBondContact O-N 3.45Å; F392-Q395 PolarHBondContact O-N 2.98Å; F392-L396 HydrophobicContact CE1-CD2 4.19Å; F392-L396 HydrophobicContact CZ-CD2 4.3Å; F392-L396 WeakPolarHBondContact O-CB 3.44Å; F392-L396 PolarHBondContact O-N 3.24Å
393S95.1Very high94.9Very high2 Ų247.7 Ų47.71%0.01424%0.235CC..Hα-helixtrans-56.7-47.4177.1174.70000112.2A26 Q30 L389 Q390 Q395 L396 Y397A26-S393 PolarHBondContact O-OG 2.91Å; Q30-S393 VanDerWaalsContact CG-OG 3.24Å; Q30-S393 WeakPolarHBondContact CG-OG 3.43Å; Q30-S393 PolarHBondContact NE2-OG 3.08Å; L389-S393 WeakPolarHBondContact O-CB 3.24Å; L389-S393 PolarHBondContact O-N 3.24Å; Q390-S393 PolarHBondContact O-N 3.13Å; S393-Q395 PolarHBondContact O-N 2.94Å; S393-L396 PolarHBondContact O-N 2.89Å; S393-Y397 VanDerWaalsContact O-CB 3.22Å; S393-Y397 WeakPolarHBondContact O-CB 3.4Å; S393-Y397 PolarHBondContact O-N 2.88Å
394N95.4Very high94.4Very high87 Ų8750.3 Ų50.347%0.46525%0.253SS..Hα-helixtrans-62.8-43.1179.9-69.1-14.9000111.9Q30 Q390 A391 F392 G398Q30-N394 PolarHBondContact NE2-OD1 3.48Å; Q390-N394 PolarHBondContact NE2-OD1 3.32Å; Q390-N394 PolarHBondContact O-N 2.97Å; Q390-N394 PolarHBondContact O-ND2 3.25Å; A391-N394 PolarHBondContact O-N 2.92Å; F392-N394 PolarHBondContact O-N 3.45Å; N394-G398 PolarHBondContact O-N 2.97Å; N394-G398 VanDerWaalsContact O-N 3.14Å
395Q96.3Very high93.5Very high73 Ų7356.6 Ų56.634%0.34128%0.279SS..Hα-helixtrans-66.7-50.3178.1-71.1179.121.900111.7L186 A391 F392 S393 Y397 G398 Y399L186-Q395 HydrophobicContact CD1-CB 3.66Å; A391-Q395 WeakPolarHBondContact O-CG 3.41Å; A391-Q395 PolarHBondContact O-N 3.44Å; A391-Q395 VanDerWaalsContact O-N 3.14Å; F392-Q395 PolarHBondContact O-N 2.98Å; S393-Q395 PolarHBondContact O-N 2.94Å; Q395-Y397 VanDerWaalsContact C-N 3.32Å; Q395-Y397 PolarHBondContact O-N 3.04Å; Q395-G398 PolarHBondContact O-N 3.44Å; Q395-G398 VanDerWaalsContact O-N 3.1Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.41Å; Q395-Y399 PolarHBondContact O-N 3.18Å; Q395-Y399 VanDerWaalsContact O-N 3.15Å
396L96.6Very high93.4Very high0 Ų052.3 Ų52.30%026%0.26CS..Hα-helixtrans-59.5-43.4179.1179.958.1000111.5A23 L27 F100 L121 L161 L186 F392 S393 G398 Y399 I400A23-L396 HydrophobicContact CB-CD2 3.62Å; L27-L396 HydrophobicContact CD1-CD2 4.03Å; L27-L396 HydrophobicContact CD1-CG 4.23Å; L27-L396 HydrophobicContact CD2-CD2 4.19Å; L27-L396 HydrophobicContact CD2-CG 3.92Å; L27-L396 HydrophobicContact CG-CD2 3.78Å; L27-L396 HydrophobicContact CG-CG 4.04Å; F100-L396 HydrophobicContact CD2-CD1 4.17Å; F100-L396 HydrophobicContact CE2-CD1 3.87Å; L121-L396 HydrophobicContact CD1-CD1 4.25Å; L161-L396 HydrophobicContact CD1-CD1 4.37Å; L186-L396 HydrophobicContact CD1-CB 4.38Å; L186-L396 HydrophobicContact CD2-CB 4Å; L186-L396 HydrophobicContact CD2-CD1 3.81Å; L186-L396 HydrophobicContact CD2-CG 4.33Å; F392-L396 HydrophobicContact CE1-CD2 4.19Å; F392-L396 HydrophobicContact CZ-CD2 4.3Å; F392-L396 WeakPolarHBondContact O-CB 3.44Å; F392-L396 PolarHBondContact O-N 3.24Å; S393-L396 PolarHBondContact O-N 2.89Å; L396-G398 VanDerWaalsContact C-N 3.31Å; L396-G398 PolarHBondContact O-N 3.28Å; L396-Y399 WeakPolarHBondContact O-CB 3.5Å; L396-Y399 PolarHBondContact O-N 2.69Å; L396-I400 HydrophobicContact CD1-CG1 4.41Å; L396-I400 WeakPolarHBondContact O-CG1 3.24Å; L396-I400 PolarHBondContact O-N 2.85Å
397Y96.4Very high93.3Very high78 Ų7849.3 Ų49.331%0.30625%0.251SS..Hα-helixtrans-60.4-40.5175.7-176.6-104.3000112.2L27 Q30 S393 Q395 Y399 I400 V401L27-Y397 HydrophobicContact CD2-CD2 4.29Å; Q30-Y397 HydrophobicContact CB-CD2 3.61Å; Q30-Y397 HydrophobicContact CB-CE2 3.96Å; Q30-Y397 HydrophobicContact CB-CG 4.08Å; Q30-Y397 HydrophobicContact CG-CD2 4.12Å; Q30-Y397 HydrophobicContact CG-CG 4.13Å; S393-Y397 VanDerWaalsContact O-CB 3.22Å; S393-Y397 WeakPolarHBondContact O-CB 3.4Å; S393-Y397 PolarHBondContact O-N 2.88Å; Q395-Y397 VanDerWaalsContact C-N 3.32Å; Q395-Y397 PolarHBondContact O-N 3.04Å; Y397-Y399 VanDerWaalsContact C-N 3.33Å; Y397-Y399 PolarHBondContact O-N 3.1Å; Y397-I400 PolarHBondContact O-N 3.05Å; Y397-V401 HydrophobicContact CD1-CG2 3.99Å; Y397-V401 HydrophobicContact CD2-CG2 4.47Å; Y397-V401 HydrophobicContact CE1-CG2 3.55Å; Y397-V401 HydrophobicContact CE2-CG2 4.09Å; Y397-V401 HydrophobicContact CG-CG2 4.44Å; Y397-V401 WeakPolarHBondContact O-CG2 3.43Å; Y397-V401 PolarHBondContact O-N 3.36Å
398G96.2Very high93.2Very high37 Ų3751.9 Ų51.938%0.38127%0.265SS..Hα-helixtrans-55.5-46173.400000112.8N394 Q395 L396 V401 Q402N394-G398 PolarHBondContact O-N 2.97Å; N394-G398 VanDerWaalsContact O-N 3.14Å; Q395-G398 PolarHBondContact O-N 3.44Å; Q395-G398 VanDerWaalsContact O-N 3.1Å; L396-G398 VanDerWaalsContact C-N 3.31Å; L396-G398 PolarHBondContact O-N 3.28Å; G398-V401 PolarHBondContact O-N 3.47Å; G398-Q402 PolarHBondContact O-N 3.1Å
399Y96.3Very high93.1Very high40 Ų4054.2 Ų54.216%0.15728%0.276CS..Hα-helixtrans-63.7-43.4175.6-68.6-55.5000112.8M159 L161 D184 Q395 L396 Y397 V401 Q402 L403M159-Y399 HydrophobicContact CE-CD1 3.85Å; M159-Y399 HydrophobicContact SD-CD1 3.48Å; M159-Y399 WeakPolarHBondContact SD-CD1 3.49Å; M159-Y399 HydrophobicContact SD-CE1 4.36Å; M159-Y399 HydrophobicContact SD-CG 3.83Å; L161-Y399 HydrophobicContact CD1-CD2 3.83Å; L161-Y399 HydrophobicContact CD1-CE2 4.26Å; L161-Y399 HydrophobicContact CD1-CG 4.34Å; L161-Y399 HydrophobicContact CD2-CD1 4.32Å; L161-Y399 HydrophobicContact CD2-CD2 4.05Å; L161-Y399 HydrophobicContact CD2-CE1 4.22Å; L161-Y399 HydrophobicContact CD2-CE2 3.94Å; L161-Y399 HydrophobicContact CD2-CG 4.25Å; D184-Y399 HydrophobicContact CB-CE1 4.03Å; D184-Y399 WeakPolarHBondContact CB-OH 3.41Å; D184-Y399 VanDerWaalsContact OD2-CE1 3.23Å; D184-Y399 WeakPolarHBondContact OD2-CE1 3.36Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.41Å; Q395-Y399 PolarHBondContact O-N 3.18Å; Q395-Y399 VanDerWaalsContact O-N 3.15Å; L396-Y399 WeakPolarHBondContact O-CB 3.5Å; L396-Y399 PolarHBondContact O-N 2.69Å; Y397-Y399 VanDerWaalsContact C-N 3.33Å; Y397-Y399 PolarHBondContact O-N 3.1Å; Y399-V401 PolarHBondContact O-N 3.37Å; Y399-Q402 WeakPolarHBondContact O-CB 3.34Å; Y399-Q402 PolarHBondContact O-N 3.4Å; Y399-L403 PolarHBondContact O-N 3.4Å
400I95.8Very high93.3Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-62.8-42.4177.2-66-59.9000111.2A2 V4 L27 V98 L121 L396 Y397 Q402 L403 S404A2-I400 HydrophobicContact CB-CG2 3.86Å; V4-I400 HydrophobicContact CG1-CD1 4.33Å; V4-I400 HydrophobicContact CG2-CD1 4.4Å; V4-I400 HydrophobicContact CG2-CG2 3.86Å; L27-I400 HydrophobicContact CD1-CD1 4.19Å; L27-I400 HydrophobicContact CD1-CG1 3.78Å; L27-I400 HydrophobicContact CD2-CB 4.45Å; L27-I400 HydrophobicContact CD2-CG1 3.86Å; L27-I400 HydrophobicContact CG-CG1 4.5Å; V98-I400 HydrophobicContact CB-CD1 4.33Å; V98-I400 HydrophobicContact CG1-CD1 3.74Å; V98-I400 HydrophobicContact CG2-CG2 4.44Å; L121-I400 HydrophobicContact CD1-CD1 4.06Å; L396-I400 HydrophobicContact CD1-CG1 4.41Å; L396-I400 WeakPolarHBondContact O-CG1 3.24Å; L396-I400 PolarHBondContact O-N 2.85Å; Y397-I400 PolarHBondContact O-N 3.05Å; I400-Q402 VanDerWaalsContact C-N 3.34Å; I400-Q402 PolarHBondContact O-N 3.16Å; I400-L403 PolarHBondContact O-N 3.01Å; I400-S404 WeakPolarHBondContact O-CB 3.43Å; I400-S404 PolarHBondContact O-N 3.49Å; I400-S404 PolarHBondContact O-OG 3.3Å
401V93.9Very high93.3Very high51 Ų5151.9 Ų51.931%0.30927%0.266SS..Hα-helixtrans-64-39.6175.9169.20000111.1Y397 G398 Y399 L403 S404 K405Y397-V401 HydrophobicContact CD1-CG2 3.99Å; Y397-V401 HydrophobicContact CD2-CG2 4.47Å; Y397-V401 HydrophobicContact CE1-CG2 3.55Å; Y397-V401 HydrophobicContact CE2-CG2 4.09Å; Y397-V401 HydrophobicContact CG-CG2 4.44Å; Y397-V401 WeakPolarHBondContact O-CG2 3.43Å; Y397-V401 PolarHBondContact O-N 3.36Å; G398-V401 PolarHBondContact O-N 3.47Å; Y399-V401 PolarHBondContact O-N 3.37Å; V401-L403 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 2.95Å; V401-S404 PolarHBondContact O-N 3.29Å; V401-K405 WeakPolarHBondContact O-CG 3.35Å; V401-K405 PolarHBondContact O-N 2.94Å
402Q93.5Very high93.3Very high118 Ų11854.8 Ų54.855%0.55128%0.279SS*.Hα-helixtrans-62.2-40.1175.4-179.2179.8-12.600112M159 G398 Y399 I400M159-Q402 HydrophobicContact CE-CG 4.33Å; G398-Q402 PolarHBondContact O-N 3.1Å; Y399-Q402 WeakPolarHBondContact O-CB 3.34Å; Y399-Q402 PolarHBondContact O-N 3.4Å; I400-Q402 VanDerWaalsContact C-N 3.34Å; I400-Q402 PolarHBondContact O-N 3.16Å
403L92.1Very high93.2Very high13 Ų1358.8 Ų58.87%0.06830%0.299CS..Hα-helixtrans-76.5-27.6177.7-72.1167.2000113.4V98 K119 L121 D158 M159 Y399 I400 V401 K405V98-L403 HydrophobicContact CG1-CB 4.46Å; V98-L403 HydrophobicContact CG1-CD1 4.11Å; V98-L403 HydrophobicContact CG2-CB 4.05Å; K119-L403 HydrophobicContact CB-CB 4.1Å; K119-L403 HydrophobicContact CB-CD2 4.1Å; K119-L403 HydrophobicContact CG-CB 4.49Å; K119-L403 HydrophobicContact CG-CD2 4.46Å; K119-L403 VanDerWaalsContact CG-O 3.29Å; K119-L403 WeakPolarHBondContact CG-O 3.35Å; L121-L403 HydrophobicContact CB-CD1 3.74Å; L121-L403 HydrophobicContact CD1-CD1 3.98Å; L121-L403 HydrophobicContact CG-CD1 4.23Å; D158-L403 HydrophobicContact CB-CD2 3.91Å; M159-L403 HydrophobicContact CB-CD1 4.06Å; M159-L403 HydrophobicContact CB-CD2 4.03Å; M159-L403 HydrophobicContact CB-CG 4.44Å; M159-L403 HydrophobicContact CE-CD1 4.28Å; M159-L403 HydrophobicContact CE-CD2 4.2Å; M159-L403 HydrophobicContact CE-CG 3.95Å; M159-L403 HydrophobicContact SD-CD1 3.98Å; M159-L403 HydrophobicContact SD-CG 4.32Å; Y399-L403 PolarHBondContact O-N 3.4Å; I400-L403 PolarHBondContact O-N 3.01Å; V401-L403 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 2.95Å; L403-K405 VanDerWaalsContact C-N 3.26Å; L403-K405 PolarHBondContact O-N 2.8Å
404S85.8Confident93Very high54 Ų5463.5 Ų63.538%0.37832%0.323SS..Hα-helixtrans-80.3-7.3-178.3-560000113.5V98 I400 V401V98-S404 WeakPolarHBondContact CG2-OG 3.3Å; I400-S404 WeakPolarHBondContact O-CB 3.43Å; I400-S404 PolarHBondContact O-N 3.49Å; I400-S404 PolarHBondContact O-OG 3.3Å; V401-S404 PolarHBondContact O-N 3.29Å
405K78.3Confident92.8Very high211 Ų21161.4 Ų61.492%0.91731%0.31SS*.  trans-84.30171-70.8172.7-176.9178.60110.1V401 L403V401-K405 WeakPolarHBondContact O-CG 3.35Å; V401-K405 PolarHBondContact O-N 2.94Å; L403-K405 VanDerWaalsContact C-N 3.26Å; L403-K405 PolarHBondContact O-N 2.8Å

Retrieved 405 of 405 residues in 3435 ms (Link to these results)

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