A0A096LNL2_HUMAN Loading...

UDP-N-acetylglucosamine transferase subunit ALG13

AlphaFold DB , UniProt , Accession A0A096LNL2, Species HUMAN (Homo sapiens, Human), Gene ALG13, Length 150 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
1M63.7Low69.7Low174 Ų17442 Ų4286%0.85724%0.24SC*.  0128.40-66.9-177.6175.200107.5
2K76.6Confident69Low72 Ų7245.3 Ų45.331%0.31327%0.267SS..  trans-100.7127.5-178.4-64.3-178.4-175.6171.40108.9Y34 N35K2-Y34 HydrophobicContact CB-CD1 3.52Å; K2-Y34 HydrophobicContact CB-CE1 3.96Å; K2-Y34 HydrophobicContact CB-CG 4.19Å; K2-Y34 WeakPolarHBondContact O-CA 3.45Å; K2-N35 PolarHBondContact N-OD1 3.29Å; K2-N35 PolarHBondContact O-N 3.42Å; K2-N35 PolarHBondContact O-OD1 3.12Å
3C75.8Confident69.1Low5 Ų544.2 Ų44.23%0.03426%0.257CS..EExtended strand (participates in β ladder)trans-122.7141.2-175.5-167.80000110.7R36 I38 Y80 Q108C3-R36 CarbonylContact C-O 3.54Å; C3-R36 WeakPolarHBondContact CA-O 3.45Å; C3-R36 HydrophobicContact CB-CB 4.35Å; C3-I38 WeakPolarHBondContact SG-CD1 3.41Å; C3-Y80 HydrophobicContact CB-CE2 4.46Å; C3-Y80 PolarHBondContact SG-OH 3.34Å; C3-Q108 HydrophobicContact CB-CB 4.15Å; C3-Q108 WeakPolarHBondContact O-CB 3.38Å; C3-Q108 PolarHBondContact O-N 3.05Å
4V78.6Confident69.3Low0 Ų043.2 Ų43.20%025%0.251CS..EExtended strand (participates in β ladder)trans-106.4128.3169.6-178.70000108.1V6 I29 Y34 R36 L37 I38 L107 F138V4-V6 HydrophobicContact CG1-CG2 3.94Å; V4-I29 HydrophobicContact CG2-CG2 3.98Å; V4-Y34 HydrophobicContact CG2-CD1 3.44Å; V4-Y34 VanDerWaalsContact CG2-CD1 3.44Å; V4-Y34 HydrophobicContact CG2-CD2 4.03Å; V4-Y34 HydrophobicContact CG2-CE1 3.94Å; V4-Y34 HydrophobicContact CG2-CE2 4.46Å; V4-Y34 HydrophobicContact CG2-CG 3.52Å; V4-R36 PolarHBondContact N-O 3.23Å; V4-L37 HydrophobicContact CB-CD1 3.65Å; V4-L37 HydrophobicContact CG1-CD1 3.56Å; V4-L37 CarbonylContact O-C 3.49Å; V4-L37 WeakPolarHBondContact O-CA 3.47Å; V4-I38 PolarHBondContact O-N 3.43Å; V4-L107 HydrophobicContact CB-CD2 4.17Å; V4-L107 HydrophobicContact CG1-CD2 3.85Å; V4-L107 HydrophobicContact CG2-CD2 3.7Å; V4-F138 HydrophobicContact CG1-CZ 4.4Å; V4-F138 HydrophobicContact CG2-CE1 4.35Å
5F77.8Confident69.5Low3 Ų347 Ų471%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-117.6121.9172.8177.3-97.2000109.3T7 I38 Q40 V84 Y106F5-T7 HydrophobicContact CE1-CG2 3.83Å; F5-I38 WeakPolarHBondContact CA-O 3.22Å; F5-I38 HydrophobicContact CD2-CB 3.77Å; F5-I38 HydrophobicContact CD2-CG2 3.51Å; F5-I38 HydrophobicContact CE2-CG2 3.78Å; F5-Q40 HydrophobicContact CE2-CB 4.27Å; F5-Q40 HydrophobicContact CZ-CB 4Å; F5-V84 HydrophobicContact CD2-CG1 4.45Å; F5-V84 HydrophobicContact CD2-CG2 4.01Å; F5-V84 HydrophobicContact CE2-CB 4.22Å; F5-V84 HydrophobicContact CE2-CG1 3.42Å; F5-V84 VanDerWaalsContact CE2-CG1 3.42Å; F5-V84 HydrophobicContact CE2-CG2 3.77Å; F5-V84 HydrophobicContact CZ-CG1 3.6Å; F5-V84 HydrophobicContact CZ-CG2 4.44Å; F5-Y106 AromaticContact CD1-CD2 3.71Å; F5-Y106 HydrophobicContact CD1-CD2 3.71Å; F5-Y106 HydrophobicContact CD1-CE2 4.47Å; F5-Y106 HydrophobicContact CD1-CG 4.31Å; F5-Y106 HydrophobicContact CE1-CD2 4.25Å; F5-Y106 PolarHBondContact N-O 3.46Å; F5-Y106 PolarHBondContact O-N 3.05Å
6V76.5Confident69.8Low0 Ų044.2 Ų44.20%025%0.253CS..EExtended strand (participates in β ladder)trans-115.3119.5-178.8-1760000107V4 V20 L37 I38 L39 Q40 L103 L105V4-V6 HydrophobicContact CG1-CG2 3.94Å; V6-V20 HydrophobicContact CG2-CG1 4.48Å; V6-L37 HydrophobicContact CG2-CD1 3.78Å; V6-I38 PolarHBondContact N-O 3.28Å; V6-L39 HydrophobicContact CB-CD1 4.15Å; V6-L39 HydrophobicContact CB-CG 4.31Å; V6-L39 HydrophobicContact CG2-CD1 4.18Å; V6-L39 CarbonylContact O-C 3.57Å; V6-L39 WeakPolarHBondContact O-CA 3.4Å; V6-Q40 PolarHBondContact O-N 3.01Å; V6-L103 HydrophobicContact CG1-CD1 3.93Å; V6-L105 HydrophobicContact CB-CD2 4.03Å; V6-L105 HydrophobicContact CG1-CD2 3.81Å; V6-L105 HydrophobicContact CG2-CD2 3.58Å
7T73.1Confident70.3Confident14 Ų1441.8 Ų41.89%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-119118.6171.3-175.20000110F5 Q40 L104 Y106F5-T7 HydrophobicContact CE1-CG2 3.83Å; T7-Q40 PolarHBondContact OG1-OE1 3.04Å; T7-L104 HydrophobicContact CG2-CB 3.53Å; T7-L104 HydrophobicContact CG2-CD1 4.25Å; T7-L104 PolarHBondContact N-O 3.05Å; T7-L104 PolarHBondContact O-N 3.27Å; T7-Y106 HydrophobicContact CG2-CE2 4.44Å
8V69.4Low70.8Confident4 Ų441.9 Ų41.92%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-86.7134.2161.3-61.90000106.1F13 L16 I17 Q40 L103V8-F13 HydrophobicContact CB-CB 4.29Å; V8-F13 HydrophobicContact CG1-CB 3.99Å; V8-L16 HydrophobicContact CG1-CD2 3.5Å; V8-L16 VanDerWaalsContact CG1-CD2 3.5Å; V8-L16 HydrophobicContact CG1-CG 4.43Å; V8-I17 HydrophobicContact CG1-CD1 4Å; V8-I17 HydrophobicContact CG2-CD1 4.08Å; V8-I17 HydrophobicContact CG2-CG1 4.49Å; V8-Q40 VanDerWaalsContact CG2-O 3.26Å; V8-Q40 WeakPolarHBondContact CG2-O 3.47Å; V8-Q40 PolarHBondContact N-O 2.89Å; V8-L103 HydrophobicContact CG1-CD1 3.9Å
9G63.4Low71.2Confident35 Ų3540.7 Ų40.736%0.36124%0.24SC..  trans-61.8-150.6179.400000113.2T11 G42G9-T11 PolarHBondContact O-N 3.23Å; G9-T11 VanDerWaalsContact O-N 3.11Å; G9-G42 WeakPolarHBondContact O-CA 3.5Å
10T53.6Low71.6Confident102 Ų10238.7 Ų38.763%0.62623%0.228SC*.SBendtrans-73.7-0.8179.753.90000114.2R43T10-R43 WeakPolarHBondContact O-CG 3.47Å
11T58.1Low72Confident53 Ų5338.3 Ų38.333%0.32523%0.227SC..SBendtrans-82.5151.6-178.145.50000112.5G9 F13G9-T11 PolarHBondContact O-N 3.23Å; G9-T11 VanDerWaalsContact O-N 3.11Å; T11-F13 HydrophobicContact CG2-CE2 4.43Å; T11-F13 PolarHBondContact O-N 2.68Å; T11-F13 VanDerWaalsContact OG1-CD2 3.26Å; T11-F13 WeakPolarHBondContact OG1-CD2 3.44Å; T11-F13 WeakPolarHBondContact OG1-CE2 3.32Å
12S61.2Low73Confident81 Ų8131 Ų3157%0.56620%0.195SC*.  trans-83.4107.4175.652.30000109.3
13F71Confident73.2Confident31 Ų3132 Ų3214%0.13621%0.209CC..  trans-121.454.8-178.9-93.2-87.1000110.6V8 T11 D15 L16 I17 S101 W124V8-F13 HydrophobicContact CB-CB 4.29Å; V8-F13 HydrophobicContact CG1-CB 3.99Å; T11-F13 HydrophobicContact CG2-CE2 4.43Å; T11-F13 PolarHBondContact O-N 2.68Å; T11-F13 VanDerWaalsContact OG1-CD2 3.26Å; T11-F13 WeakPolarHBondContact OG1-CD2 3.44Å; T11-F13 WeakPolarHBondContact OG1-CE2 3.32Å; F13-D15 VanDerWaalsContact C-N 3.33Å; F13-D15 PolarHBondContact O-N 2.56Å; F13-L16 HydrophobicContact CB-CB 4.15Å; F13-L16 HydrophobicContact CB-CD2 4.29Å; F13-L16 HydrophobicContact CD1-CB 4.2Å; F13-L16 HydrophobicContact CD1-CD2 4.31Å; F13-L16 PolarHBondContact O-N 3.25Å; F13-I17 VanDerWaalsContact O-CG1 3.32Å; F13-I17 WeakPolarHBondContact O-CG1 3.44Å; F13-I17 PolarHBondContact O-N 3.48Å; F13-S101 VanDerWaalsContact CE2-CB 3.43Å; F13-S101 WeakPolarHBondContact CE2-OG 3.05Å; F13-W124 AromaticContact CD1-CH2 3.76Å; F13-W124 HydrophobicContact CD1-CH2 3.76Å; F13-W124 HydrophobicContact CD1-CZ2 4.04Å; F13-W124 HydrophobicContact CD1-CZ3 4.12Å; F13-W124 AromaticContact CE1-CD2 3.8Å; F13-W124 HydrophobicContact CE1-CD2 3.8Å; F13-W124 AromaticContact CE1-CE2 3.68Å; F13-W124 AromaticContact CE1-CE3 3.72Å; F13-W124 HydrophobicContact CE1-CE3 3.72Å; F13-W124 AromaticContact CE1-CH2 3.42Å; F13-W124 HydrophobicContact CE1-CH2 3.42Å; F13-W124 VanDerWaalsContact CE1-CH2 3.42Å; F13-W124 AromaticContact CE1-CZ2 3.51Å; F13-W124 HydrophobicContact CE1-CZ2 3.51Å; F13-W124 AromaticContact CE1-CZ3 3.53Å; F13-W124 HydrophobicContact CE1-CZ3 3.53Å; F13-W124 HydrophobicContact CZ-CD2 4.27Å; F13-W124 HydrophobicContact CZ-CE3 4.27Å; F13-W124 HydrophobicContact CZ-CZ3 4.44Å
14D71.8Confident73.5Confident31 Ų3136.8 Ų36.817%0.16623%0.234CC..Hα-helixtrans-60.7-40.5-173-74.6-18.5000112.4I17 A18 G44 T45 V46D14-I17 PolarHBondContact O-N 2.83Å; D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 3.36Å; D14-G44 VanDerWaalsContact OD1-C 3.23Å; D14-G44 WeakPolarHBondContact OD1-CA 3.35Å; D14-T45 VanDerWaalsContact CG-N 3.28Å; D14-T45 PolarHBondContact OD1-N 2.64Å; D14-T45 PolarHBondContact OD2-N 3.19Å; D14-T45 PolarHBondContact OD2-OG1 3.39Å; D14-V46 HydrophobicContact CB-CB 3.76Å; D14-V46 HydrophobicContact CB-CG2 3.51Å; D14-V46 PolarHBondContact OD1-N 2.93Å
15D72.6Confident73.6Confident100 Ų10036.8 Ų36.854%0.53523%0.234SC..Hα-helixtrans-65.2-40.3177.4-62.6-26.4000112.7F13 A18 C19F13-D15 VanDerWaalsContact C-N 3.33Å; F13-D15 PolarHBondContact O-N 2.56Å; D15-A18 PolarHBondContact O-N 2.85Å; D15-C19 WeakPolarHBondContact O-CB 3.46Å; D15-C19 PolarHBondContact O-N 3.31Å; D15-C19 PolarHBondContact O-SG 2.96Å
16L74.1Confident73.9Confident2 Ų237.2 Ų37.21%0.0124%0.237CC..Hα-helixtrans-65.8-46.3175.9167.566.7000110.2V8 F13 A18 C19 V20 L103 F129V8-L16 HydrophobicContact CG1-CD2 3.5Å; V8-L16 VanDerWaalsContact CG1-CD2 3.5Å; V8-L16 HydrophobicContact CG1-CG 4.43Å; F13-L16 HydrophobicContact CB-CB 4.15Å; F13-L16 HydrophobicContact CB-CD2 4.29Å; F13-L16 HydrophobicContact CD1-CB 4.2Å; F13-L16 HydrophobicContact CD1-CD2 4.31Å; F13-L16 PolarHBondContact O-N 3.25Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.28Å; L16-C19 PolarHBondContact O-N 2.93Å; L16-V20 HydrophobicContact CD1-CG2 3.77Å; L16-V20 HydrophobicContact CG-CG2 4.35Å; L16-V20 WeakPolarHBondContact O-CB 3.42Å; L16-V20 VanDerWaalsContact O-CG2 3.26Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.17Å; L16-L103 HydrophobicContact CD2-CD1 3.57Å; L16-L103 HydrophobicContact CD2-CD2 4.24Å; L16-L103 HydrophobicContact CD2-CG 4.43Å; L16-F129 HydrophobicContact CB-CD1 4.12Å; L16-F129 HydrophobicContact CB-CE1 4.47Å; L16-F129 HydrophobicContact CB-CG 4.37Å; L16-F129 HydrophobicContact CD1-CD1 3.58Å; L16-F129 HydrophobicContact CD1-CD2 4.4Å; L16-F129 HydrophobicContact CD1-CE1 3.07Å; L16-F129 HydrophobicContact CD1-CE2 3.99Å; L16-F129 HydrophobicContact CD1-CG 4.21Å; L16-F129 HydrophobicContact CD1-CZ 3.32Å; L16-F129 HydrophobicContact CG-CD1 4.46Å; L16-F129 HydrophobicContact CG-CE1 4.32Å
17I77.4Confident74.2Confident3 Ų343.4 Ų43.42%0.01527%0.266CS..Hα-helixtrans-59.7-46.8177.8-66.6-48.8000110.2V8 F13 D14 C19 V20 S21 L39 I41 V46 P48V8-I17 HydrophobicContact CG1-CD1 4Å; V8-I17 HydrophobicContact CG2-CD1 4.08Å; V8-I17 HydrophobicContact CG2-CG1 4.49Å; F13-I17 VanDerWaalsContact O-CG1 3.32Å; F13-I17 WeakPolarHBondContact O-CG1 3.44Å; F13-I17 PolarHBondContact O-N 3.48Å; D14-I17 PolarHBondContact O-N 2.83Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 2.81Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-S21 WeakPolarHBondContact O-CB 3.43Å; I17-S21 PolarHBondContact O-N 2.98Å; I17-S21 PolarHBondContact O-OG 3.34Å; I17-L39 HydrophobicContact CD1-CD2 3.92Å; I17-L39 HydrophobicContact CD1-CG 4.38Å; I17-L39 HydrophobicContact CG2-CD2 4.15Å; I17-I41 HydrophobicContact CD1-CG2 3.64Å; I17-I41 HydrophobicContact CG1-CG2 3.78Å; I17-I41 HydrophobicContact CG2-CG2 4.04Å; I17-V46 HydrophobicContact CG2-CG1 4.13Å; I17-P48 HydrophobicContact CG2-CG 3.68Å
18A79.1Confident74.5Confident44 Ų4447.2 Ų47.236%0.36428%0.281SS..Hα-helixtrans-57.7-42.7175.200000112.4D14 D15 L16 S21 A22 V46D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 3.36Å; D15-A18 PolarHBondContact O-N 2.85Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.28Å; A18-S21 WeakPolarHBondContact CA-OG 3.4Å; A18-S21 PolarHBondContact O-OG 2.77Å; A18-S21 VanDerWaalsContact O-OG 3.13Å; A18-A22 PolarHBondContact O-N 3.48Å; A18-V46 HydrophobicContact CB-CG1 4.34Å
19C79.9Confident75.1Confident19 Ų1947 Ų4713%0.12828%0.28CS..Hα-helixtrans-67.6-40.6178.2-74.10000113.1D15 L16 I17 A22 S25 F129D15-C19 WeakPolarHBondContact O-CB 3.46Å; D15-C19 PolarHBondContact O-N 3.31Å; D15-C19 PolarHBondContact O-SG 2.96Å; L16-C19 PolarHBondContact O-N 2.93Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 2.81Å; C19-A22 VanDerWaalsContact O-CB 3.28Å; C19-A22 WeakPolarHBondContact O-CB 3.28Å; C19-A22 PolarHBondContact O-N 3.02Å; C19-S25 WeakPolarHBondContact O-CB 3.25Å; C19-S25 PolarHBondContact O-OG 3.21Å; C19-F129 HydrophobicContact CB-CD1 3.73Å; C19-F129 HydrophobicContact CB-CE1 4.05Å; C19-F129 PolarHBondContact SG-O 2.99Å
20V78Confident76.1Confident0 Ų048.9 Ų48.90%028%0.279CS..Hα-helixtrans-71.7-35.4178.9176.50000111.1V6 L16 I17 A22 L26 L37 L39 F134V6-V20 HydrophobicContact CG2-CG1 4.48Å; L16-V20 HydrophobicContact CD1-CG2 3.77Å; L16-V20 HydrophobicContact CG-CG2 4.35Å; L16-V20 WeakPolarHBondContact O-CB 3.42Å; L16-V20 VanDerWaalsContact O-CG2 3.26Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.17Å; I17-V20 PolarHBondContact O-N 3.11Å; V20-A22 VanDerWaalsContact C-N 3.26Å; V20-A22 PolarHBondContact O-N 3.24Å; V20-L26 WeakPolarHBondContact O-CD2 3.39Å; V20-L37 HydrophobicContact CG1-CD2 3.88Å; V20-L39 HydrophobicContact CB-CD2 4.36Å; V20-L39 HydrophobicContact CG1-CD1 3.73Å; V20-L39 HydrophobicContact CG1-CD2 4.1Å; V20-L39 HydrophobicContact CG1-CG 4.31Å; V20-F134 HydrophobicContact CB-CE1 4.36Å; V20-F134 HydrophobicContact CB-CE2 4.45Å; V20-F134 HydrophobicContact CB-CZ 4.22Å; V20-F134 HydrophobicContact CG1-CE1 3.98Å; V20-F134 HydrophobicContact CG1-CE2 4.22Å; V20-F134 HydrophobicContact CG1-CZ 3.66Å; V20-F134 HydrophobicContact CG2-CD1 4.12Å; V20-F134 HydrophobicContact CG2-CD2 3.53Å; V20-F134 HydrophobicContact CG2-CE1 4Å; V20-F134 HydrophobicContact CG2-CE2 3.42Å; V20-F134 VanDerWaalsContact CG2-CE2 3.42Å; V20-F134 HydrophobicContact CG2-CG 3.88Å; V20-F134 HydrophobicContact CG2-CZ 3.65Å
21S80.9Confident77.4Confident31 Ų3148.5 Ų48.522%0.21728%0.28CS..THydrogen-bonded Turntrans-79.9-3.7173.962.30000114.2I17 A18 P48I17-S21 WeakPolarHBondContact O-CB 3.43Å; I17-S21 PolarHBondContact O-N 2.98Å; I17-S21 PolarHBondContact O-OG 3.34Å; A18-S21 WeakPolarHBondContact CA-OG 3.4Å; A18-S21 PolarHBondContact O-OG 2.77Å; A18-S21 VanDerWaalsContact O-OG 3.13Å; S21-P48 VanDerWaalsContact CB-CB 3.45Å
22A83.9Confident78.3Confident22 Ų2249 Ų4918%0.18228%0.281CS..SBendtrans-66.1142.2177.900000110.6A18 C19 V20 D24 S25 L26A18-A22 PolarHBondContact O-N 3.48Å; C19-A22 VanDerWaalsContact O-CB 3.28Å; C19-A22 WeakPolarHBondContact O-CB 3.28Å; C19-A22 PolarHBondContact O-N 3.02Å; V20-A22 VanDerWaalsContact C-N 3.26Å; V20-A22 PolarHBondContact O-N 3.24Å; A22-D24 PolarHBondContact O-N 3.2Å; A22-S25 WeakPolarHBondContact O-CB 3.31Å; A22-S25 PolarHBondContact O-N 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 3.28Å; A22-L26 VanDerWaalsContact O-N 3.11Å
23P81.4Confident79.3Confident92 Ų9247.1 Ų47.160%0.59727%0.274SS*.Hα-helixtrans-55.8-37.9-176.821.4-32.5000112.6S25 L26 Q27P23-S25 VanDerWaalsContact C-N 3.29Å; P23-S25 PolarHBondContact O-N 2.98Å; P23-L26 PolarHBondContact O-N 3.22Å; P23-Q27 WeakPolarHBondContact O-CB 3.48Å; P23-Q27 WeakPolarHBondContact O-CG 3.49Å; P23-Q27 PolarHBondContact O-N 3.43Å
24D81.3Confident79.8Confident105 Ų10546.7 Ų46.756%0.56127%0.272SS*.Hα-helixtrans-58.2-40.9177-59.9-17.3000112.5A22 K28A22-D24 PolarHBondContact O-N 3.2Å; D24-K28 WeakPolarHBondContact O-CB 3.15Å; D24-K28 PolarHBondContact O-N 2.78Å
25S81.2Confident80.3Confident0 Ų047.9 Ų47.90%028%0.278CS..Hα-helixtrans-72.3-41.7178.9-59.10000111C19 A22 P23 K28 I29 S131C19-S25 WeakPolarHBondContact O-CB 3.25Å; C19-S25 PolarHBondContact O-OG 3.21Å; A22-S25 WeakPolarHBondContact O-CB 3.31Å; A22-S25 PolarHBondContact O-N 3.24Å; P23-S25 VanDerWaalsContact C-N 3.29Å; P23-S25 PolarHBondContact O-N 2.98Å; S25-K28 PolarHBondContact O-N 2.84Å; S25-I29 VanDerWaalsContact O-CG1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.48Å; S25-I29 PolarHBondContact O-N 3.01Å; S25-S131 PolarHBondContact OG-OG 3.09Å
26L83.4Confident80.8Confident13 Ų1345.3 Ų45.37%0.06826%0.261CS..Hα-helixtrans-65.3-45.9179.5-58.9-177.6000111.6V20 A22 P23 K28 I29 E30 L37 F51 F56 L58V20-L26 WeakPolarHBondContact O-CD2 3.39Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 3.28Å; A22-L26 VanDerWaalsContact O-N 3.11Å; P23-L26 PolarHBondContact O-N 3.22Å; L26-K28 PolarHBondContact O-N 2.96Å; L26-I29 PolarHBondContact O-N 3.32Å; L26-E30 WeakPolarHBondContact O-CB 3.46Å; L26-E30 PolarHBondContact O-N 2.89Å; L26-L37 HydrophobicContact CD2-CD2 3.42Å; L26-L37 VanDerWaalsContact CD2-CD2 3.42Å; L26-F51 HydrophobicContact CD1-CE1 3.66Å; L26-F51 HydrophobicContact CD1-CZ 3.53Å; L26-F56 HydrophobicContact CB-CE1 4.24Å; L26-F56 HydrophobicContact CB-CZ 4.41Å; L26-F56 HydrophobicContact CD1-CE1 4.39Å; L26-F56 HydrophobicContact CD2-CE1 3.83Å; L26-F56 HydrophobicContact CD2-CZ 3.84Å; L26-F56 HydrophobicContact CG-CE1 4.37Å; L26-L58 HydrophobicContact CD1-CD2 4.45Å
27Q82.7Confident81.3Confident130 Ų13045.2 Ų45.261%0.60726%0.26SS*.Hα-helixtrans-58.7-36.1174.3-76-174.5-9.200111.8P23 E30 S31P23-Q27 WeakPolarHBondContact O-CB 3.48Å; P23-Q27 WeakPolarHBondContact O-CG 3.49Å; P23-Q27 PolarHBondContact O-N 3.43Å; Q27-E30 PolarHBondContact O-N 3.09Å; Q27-S31 VanDerWaalsContact O-CB 3.32Å; Q27-S31 WeakPolarHBondContact O-CB 3.46Å; Q27-S31 PolarHBondContact O-N 3.26Å
28K81.2Confident81.6Confident94 Ų9445.1 Ų45.141%0.40926%0.26SS..Hα-helixtrans-70.1-44.5178.3-151.9167.7-154.21530112D24 S25 L26 E30 S31 L32 N135D24-K28 WeakPolarHBondContact O-CB 3.15Å; D24-K28 PolarHBondContact O-N 2.78Å; S25-K28 PolarHBondContact O-N 2.84Å; L26-K28 PolarHBondContact O-N 2.96Å; K28-E30 VanDerWaalsContact C-N 3.28Å; K28-E30 PolarHBondContact O-N 3.18Å; K28-S31 WeakPolarHBondContact CA-OG 3.31Å; K28-S31 PolarHBondContact O-N 2.96Å; K28-S31 PolarHBondContact O-OG 3.41Å; K28-L32 WeakPolarHBondContact O-CD1 3.37Å; K28-L32 VanDerWaalsContact O-CG 3.25Å; K28-L32 WeakPolarHBondContact O-CG 3.41Å; K28-L32 PolarHBondContact O-N 3.34Å; K28-N135 HydrophobicContact CD-CB 3.82Å; K28-N135 WeakPolarHBondContact CD-OD1 3.39Å
29I81.1Confident81.7Confident0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-57.2-45.6173.8-69.4167.1000110.1V4 S25 L26 L32 Y34 L37 F56 F134 F138V4-I29 HydrophobicContact CG2-CG2 3.98Å; S25-I29 VanDerWaalsContact O-CG1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.48Å; S25-I29 PolarHBondContact O-N 3.01Å; L26-I29 PolarHBondContact O-N 3.32Å; I29-L32 WeakPolarHBondContact O-CB 3.44Å; I29-L32 PolarHBondContact O-N 3.09Å; I29-Y34 VanDerWaalsContact CG2-CB 3.46Å; I29-Y34 HydrophobicContact CG2-CD2 4.43Å; I29-Y34 HydrophobicContact CG2-CG 4.26Å; I29-Y34 WeakPolarHBondContact O-CB 3.38Å; I29-Y34 PolarHBondContact O-N 3.36Å; I29-Y34 VanDerWaalsContact O-N 3.09Å; I29-L37 HydrophobicContact CD1-CD1 4.09Å; I29-L37 HydrophobicContact CD1-CD2 3.65Å; I29-L37 HydrophobicContact CD1-CG 4.37Å; I29-F56 HydrophobicContact CB-CE2 4.36Å; I29-F56 HydrophobicContact CG2-CE2 3.76Å; I29-F56 HydrophobicContact CG2-CZ 4.34Å; I29-F134 HydrophobicContact CD1-CE1 3.88Å; I29-F134 HydrophobicContact CD1-CZ 4.24Å; I29-F134 HydrophobicContact CG1-CE1 4.47Å; I29-F138 HydrophobicContact CD1-CZ 4.47Å; I29-F138 HydrophobicContact CG1-CE1 4.44Å; I29-F138 HydrophobicContact CG1-CZ 4.11Å
30E83.4Confident81.7Confident74 Ų7442.9 Ų42.935%0.34624%0.24SC..Hα-helixtrans-61.4-45175.8-171.8178.3-167.900112L26 Q27 K28 L32 G33 Y34 S55 F56L26-E30 WeakPolarHBondContact O-CB 3.46Å; L26-E30 PolarHBondContact O-N 2.89Å; Q27-E30 PolarHBondContact O-N 3.09Å; K28-E30 VanDerWaalsContact C-N 3.28Å; K28-E30 PolarHBondContact O-N 3.18Å; E30-L32 PolarHBondContact O-N 2.95Å; E30-G33 WeakPolarHBondContact O-CA 3.36Å; E30-G33 PolarHBondContact O-N 3.11Å; E30-Y34 WeakPolarHBondContact CA-O 3.32Å; E30-S55 WeakPolarHBondContact OE1-CB 3.24Å; E30-S55 PolarHBondContact OE1-OG 3.36Å; E30-F56 HydrophobicContact CB-CD2 4.25Å
31S81.4Confident81.7Confident93 Ų9343 Ų4365%0.6524%0.241SC*.Hα-helixtrans-62.9-27.4177.677.70000113.7Q27 K28 G33Q27-S31 VanDerWaalsContact O-CB 3.32Å; Q27-S31 WeakPolarHBondContact O-CB 3.46Å; Q27-S31 PolarHBondContact O-N 3.26Å; K28-S31 WeakPolarHBondContact CA-OG 3.31Å; K28-S31 PolarHBondContact O-N 2.96Å; K28-S31 PolarHBondContact O-OG 3.41Å; S31-G33 PolarHBondContact O-N 2.96Å
32L77.4Confident81.4Confident65 Ų6541.9 Ų41.934%0.3423%0.233SC..THydrogen-bonded Turntrans-77.6-2.8173.7-68.1164.6000112.3K28 I29 E30 Y34 F138K28-L32 WeakPolarHBondContact O-CD1 3.37Å; K28-L32 VanDerWaalsContact O-CG 3.25Å; K28-L32 WeakPolarHBondContact O-CG 3.41Å; K28-L32 PolarHBondContact O-N 3.34Å; I29-L32 WeakPolarHBondContact O-CB 3.44Å; I29-L32 PolarHBondContact O-N 3.09Å; E30-L32 PolarHBondContact O-N 2.95Å; L32-Y34 HydrophobicContact CB-CD2 3.64Å; L32-Y34 HydrophobicContact CB-CE2 3.83Å; L32-F138 HydrophobicContact CD1-CB 3.53Å; L32-F138 HydrophobicContact CD1-CD1 3.62Å; L32-F138 HydrophobicContact CD1-CG 3.72Å
33G81.5Confident80.6Confident41 Ų4148.4 Ų48.442%0.42325%0.253SS..THydrogen-bonded Turntrans84.415.4179.800000113.8E30 S31E30-G33 WeakPolarHBondContact O-CA 3.36Å; E30-G33 PolarHBondContact O-N 3.11Å; S31-G33 PolarHBondContact O-N 2.96Å
34Y81.7Confident79.9Confident21 Ų2144.2 Ų44.28%0.08223%0.227CC..  trans-87.8115.8170.9-62.7-85.8000109.2K2 V4 I29 E30 L32 L107K2-Y34 HydrophobicContact CB-CD1 3.52Å; K2-Y34 HydrophobicContact CB-CE1 3.96Å; K2-Y34 HydrophobicContact CB-CG 4.19Å; K2-Y34 WeakPolarHBondContact O-CA 3.45Å; V4-Y34 HydrophobicContact CG2-CD1 3.44Å; V4-Y34 VanDerWaalsContact CG2-CD1 3.44Å; V4-Y34 HydrophobicContact CG2-CD2 4.03Å; V4-Y34 HydrophobicContact CG2-CE1 3.94Å; V4-Y34 HydrophobicContact CG2-CE2 4.46Å; V4-Y34 HydrophobicContact CG2-CG 3.52Å; I29-Y34 VanDerWaalsContact CG2-CB 3.46Å; I29-Y34 HydrophobicContact CG2-CD2 4.43Å; I29-Y34 HydrophobicContact CG2-CG 4.26Å; I29-Y34 WeakPolarHBondContact O-CB 3.38Å; I29-Y34 PolarHBondContact O-N 3.36Å; I29-Y34 VanDerWaalsContact O-N 3.09Å; E30-Y34 WeakPolarHBondContact CA-O 3.32Å; L32-Y34 HydrophobicContact CB-CD2 3.64Å; L32-Y34 HydrophobicContact CB-CE2 3.83Å; Y34-L107 HydrophobicContact CE1-CD2 4.2Å
35N83.1Confident79.3Confident56 Ų5644.8 Ų44.830%0.29923%0.234SC..  trans-96.50.8-177.362.3-21.7000112.8K2 S55 F56 T57K2-N35 PolarHBondContact N-OD1 3.29Å; K2-N35 PolarHBondContact O-N 3.42Å; K2-N35 PolarHBondContact O-OD1 3.12Å; N35-S55 WeakPolarHBondContact CB-O 3.16Å; N35-F56 WeakPolarHBondContact O-CA 3.26Å; N35-T57 PolarHBondContact O-N 2.85Å
36R82.8Confident78.8Confident47 Ų4747.3 Ų47.318%0.17725%0.249CC..EExtended strand (participates in β ladder)trans-145.3129.8179.9-167.9164.8179.8-132.1-0.9111.9C3 V4 I38 T57 D59C3-R36 CarbonylContact C-O 3.54Å; C3-R36 WeakPolarHBondContact CA-O 3.45Å; C3-R36 HydrophobicContact CB-CB 4.35Å; V4-R36 PolarHBondContact N-O 3.23Å; R36-I38 HydrophobicContact CG-CD1 4.34Å; R36-I38 HydrophobicContact CG-CG1 4.13Å; R36-T57 CarbonylContact C-O 3.59Å; R36-T57 WeakPolarHBondContact CA-O 3.5Å; R36-D59 IonicContact CZ-OD2 3.2Å; R36-D59 IonicContact NE-OD2 2.91Å; R36-D59 PolarHBondContact NE-OD2 3.44Å; R36-D59 IonicContact NH2-OD2 2.69Å; R36-D59 PolarHBondContact NH2-OD2 2.69Å
37L84.7Confident78.5Confident0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-121134.5173.9177.262.2000109.3V4 V6 V20 L26 I29 L39 F56 T57 L58 D59V4-L37 HydrophobicContact CB-CD1 3.65Å; V4-L37 HydrophobicContact CG1-CD1 3.56Å; V4-L37 CarbonylContact O-C 3.49Å; V4-L37 WeakPolarHBondContact O-CA 3.47Å; V6-L37 HydrophobicContact CG2-CD1 3.78Å; V20-L37 HydrophobicContact CG1-CD2 3.88Å; L26-L37 HydrophobicContact CD2-CD2 3.42Å; L26-L37 VanDerWaalsContact CD2-CD2 3.42Å; I29-L37 HydrophobicContact CD1-CD1 4.09Å; I29-L37 HydrophobicContact CD1-CD2 3.65Å; I29-L37 HydrophobicContact CD1-CG 4.37Å; L37-L39 HydrophobicContact CD1-CD1 3.68Å; L37-L39 HydrophobicContact CD2-CD1 3.63Å; L37-L39 HydrophobicContact CG-CD1 3.43Å; L37-L39 VanDerWaalsContact CG-CD1 3.43Å; L37-F56 HydrophobicContact CB-CE1 4.3Å; L37-F56 HydrophobicContact CB-CE2 4.16Å; L37-F56 HydrophobicContact CB-CZ 3.48Å; L37-F56 VanDerWaalsContact CB-CZ 3.48Å; L37-F56 HydrophobicContact CD2-CZ 4.29Å; L37-T57 PolarHBondContact N-O 3.16Å; L37-L58 HydrophobicContact CB-CD1 4.03Å; L37-L58 HydrophobicContact CD2-CD1 3.75Å; L37-L58 HydrophobicContact CG-CD1 3.79Å; L37-L58 CarbonylContact O-C 3.56Å; L37-L58 WeakPolarHBondContact O-CA 2.99Å; L37-D59 PolarHBondContact O-N 3.29Å
38I83.2Confident78.3Confident0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-129.5114-177.3-56.1176.5000108.4C3 V4 F5 V6 R36 D59 Y61 Y80C3-I38 WeakPolarHBondContact SG-CD1 3.41Å; V4-I38 PolarHBondContact O-N 3.43Å; F5-I38 WeakPolarHBondContact CA-O 3.22Å; F5-I38 HydrophobicContact CD2-CB 3.77Å; F5-I38 HydrophobicContact CD2-CG2 3.51Å; F5-I38 HydrophobicContact CE2-CG2 3.78Å; V6-I38 PolarHBondContact N-O 3.28Å; R36-I38 HydrophobicContact CG-CD1 4.34Å; R36-I38 HydrophobicContact CG-CG1 4.13Å; I38-D59 CarbonylContact C-O 3.58Å; I38-D59 VanDerWaalsContact CA-O 3.32Å; I38-D59 WeakPolarHBondContact CA-O 3.25Å; I38-D59 HydrophobicContact CG1-CB 4.1Å; I38-D59 HydrophobicContact CG2-CB 4.28Å; I38-Y61 HydrophobicContact CG2-CD2 3.57Å; I38-Y61 HydrophobicContact CG2-CE2 3.54Å; I38-Y80 HydrophobicContact CD1-CD1 3.39Å; I38-Y80 HydrophobicContact CD1-CE1 2.88Å; I38-Y80 HydrophobicContact CD1-CE2 4.1Å; I38-Y80 HydrophobicContact CD1-CG 4.21Å; I38-Y80 HydrophobicContact CG1-CE1 4.3Å
39L82.1Confident78.3Confident0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-102.6116.9-179.9-96.865.4000110V6 I17 V20 L37 P48 L58 D59 V60 Y61V6-L39 HydrophobicContact CB-CD1 4.15Å; V6-L39 HydrophobicContact CB-CG 4.31Å; V6-L39 HydrophobicContact CG2-CD1 4.18Å; V6-L39 CarbonylContact O-C 3.57Å; V6-L39 WeakPolarHBondContact O-CA 3.4Å; I17-L39 HydrophobicContact CD1-CD2 3.92Å; I17-L39 HydrophobicContact CD1-CG 4.38Å; I17-L39 HydrophobicContact CG2-CD2 4.15Å; V20-L39 HydrophobicContact CB-CD2 4.36Å; V20-L39 HydrophobicContact CG1-CD1 3.73Å; V20-L39 HydrophobicContact CG1-CD2 4.1Å; V20-L39 HydrophobicContact CG1-CG 4.31Å; L37-L39 HydrophobicContact CD1-CD1 3.68Å; L37-L39 HydrophobicContact CD2-CD1 3.63Å; L37-L39 HydrophobicContact CG-CD1 3.43Å; L37-L39 VanDerWaalsContact CG-CD1 3.43Å; L39-P48 HydrophobicContact CD2-CG 4.14Å; L39-L58 HydrophobicContact CD1-CD1 4.1Å; L39-D59 PolarHBondContact N-O 3.26Å; L39-V60 CarbonylContact O-C 3.55Å; L39-V60 WeakPolarHBondContact O-CA 3.47Å; L39-Y61 PolarHBondContact O-N 3.03Å
40Q78.4Confident78.3Confident17 Ų1752.3 Ų52.38%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-92111.7162.5177.8-177.9-5.900109.3F5 V6 T7 V8 Y61 C63 S88F5-Q40 HydrophobicContact CE2-CB 4.27Å; F5-Q40 HydrophobicContact CZ-CB 4Å; V6-Q40 PolarHBondContact O-N 3.01Å; T7-Q40 PolarHBondContact OG1-OE1 3.04Å; V8-Q40 VanDerWaalsContact CG2-O 3.26Å; V8-Q40 WeakPolarHBondContact CG2-O 3.47Å; V8-Q40 PolarHBondContact N-O 2.89Å; Q40-Y61 CarbonylContact C-O 3.55Å; Q40-Y61 VanDerWaalsContact CA-O 3.25Å; Q40-Y61 WeakPolarHBondContact CA-O 3.32Å; Q40-C63 HydrophobicContact CG-CB 4.22Å; Q40-S88 PolarHBondContact OE1-OG 3.13Å
41I79.1Confident78.4Confident3 Ų352.8 Ų52.82%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-96.9142.1177.862.9167000111.4I17 V47 V60 Y61 R62 C63I17-I41 HydrophobicContact CD1-CG2 3.64Å; I17-I41 HydrophobicContact CG1-CG2 3.78Å; I17-I41 HydrophobicContact CG2-CG2 4.04Å; I41-V47 HydrophobicContact CD1-CB 3.93Å; I41-V47 HydrophobicContact CD1-CG1 3.66Å; I41-V47 HydrophobicContact CD1-CG2 3.44Å; I41-V47 VanDerWaalsContact CD1-CG2 3.44Å; I41-V60 HydrophobicContact CD1-CG1 4.12Å; I41-V60 HydrophobicContact CG1-CG1 4.3Å; I41-V60 HydrophobicContact CG2-CG1 4.19Å; I41-Y61 WeakPolarHBondContact CG1-O 3.33Å; I41-Y61 PolarHBondContact N-O 2.86Å; I41-R62 HydrophobicContact CD1-CB 4.28Å; I41-R62 HydrophobicContact CD1-CG 4.28Å; I41-R62 HydrophobicContact CG1-CB 4Å; I41-R62 HydrophobicContact CG1-CG 4.07Å; I41-R62 WeakPolarHBondContact O-CA 3.41Å; I41-C63 PolarHBondContact O-N 3.28Å
42G73.7Confident78.5Confident6 Ų652.6 Ų52.66%0.06229%0.287CS..  trans-88.2-131.9-179.800000113.7G9 G44G9-G42 WeakPolarHBondContact O-CA 3.5Å; G42-G44 PolarHBondContact O-N 3.15Å
43R66.8Low78.7Confident159 Ų15953.2 Ų53.260%0.629%0.294SS*.SBendtrans-79.30.7178.2-69.2-178.5-179.3-175.83114.2T10T10-R43 WeakPolarHBondContact O-CG 3.47Å
44G68.6Low78.7Confident4 Ų461.1 Ų61.14%0.04132%0.32CS..  trans-54157.7178.600000114.1D14 G42 R62D14-G44 VanDerWaalsContact OD1-C 3.23Å; D14-G44 WeakPolarHBondContact OD1-CA 3.35Å; G42-G44 PolarHBondContact O-N 3.15Å; G44-R62 PolarHBondContact O-NH2 2.91Å
45T66.9Low78.7Confident117 Ų11763 Ų6372%0.71834%0.336SS*.SBendtrans-91.7-25176.260.30000112.4D14 V47D14-T45 VanDerWaalsContact CG-N 3.28Å; D14-T45 PolarHBondContact OD1-N 2.64Å; D14-T45 PolarHBondContact OD2-N 3.19Å; D14-T45 PolarHBondContact OD2-OG1 3.39Å; T45-V47 PolarHBondContact O-N 2.89Å
46V72.5Confident78.8Confident53 Ų5360.6 Ų60.632%0.32132%0.323SS..  trans-82.7116.9179.6174.30000109.2D14 I17 A18D14-V46 HydrophobicContact CB-CB 3.76Å; D14-V46 HydrophobicContact CB-CG2 3.51Å; D14-V46 PolarHBondContact OD1-N 2.93Å; I17-V46 HydrophobicContact CG2-CG1 4.13Å; A18-V46 HydrophobicContact CB-CG1 4.34Å
47V75.3Confident79Confident73 Ų7360 Ų6044%0.44233%0.325SS..  trans-125106.7177.1-1740000107.4I41 T45 V60I41-V47 HydrophobicContact CD1-CB 3.93Å; I41-V47 HydrophobicContact CD1-CG1 3.66Å; I41-V47 HydrophobicContact CD1-CG2 3.44Å; I41-V47 VanDerWaalsContact CD1-CG2 3.44Å; T45-V47 PolarHBondContact O-N 2.89Å; V47-V60 HydrophobicContact CG1-CG1 4.1Å
48P80.3Confident79.1Confident16 Ų1660.1 Ų60.110%0.10433%0.325CS..PPolyproline II helixtrans-67.6147.5174.622.3-25.5000109.3I17 S21 L39 V60I17-P48 HydrophobicContact CG2-CG 3.68Å; S21-P48 VanDerWaalsContact CB-CB 3.45Å; L39-P48 HydrophobicContact CD2-CG 4.14Å; P48-V60 HydrophobicContact CB-CG2 4.48Å; P48-V60 HydrophobicContact CG-CG1 4.28Å; P48-V60 HydrophobicContact CG-CG2 3.9Å; P48-V60 WeakPolarHBondContact O-CG2 3.41Å
49E79.8Confident79.1Confident170 Ų17061.8 Ų61.879%0.79433%0.334SS*.PPolyproline II helixtrans-71127.7176-67.1-169.6164.700109.5
50P82.6Confident79.1Confident83 Ų8363 Ų6354%0.53934%0.341SS..PPolyproline II helixtrans-67.8136.4172.329.1-32.7000109.1L58 V60P50-L58 CarbonylContact C-O 3.56Å; P50-L58 VanDerWaalsContact CA-O 3.24Å; P50-L58 WeakPolarHBondContact CA-O 3.32Å; P50-L58 WeakPolarHBondContact CB-O 3.41Å; P50-V60 HydrophobicContact CB-CB 4.48Å; P50-V60 HydrophobicContact CB-CG2 4.34Å
51F84.1Confident79.1Confident85 Ų8564.6 Ų64.637%0.37335%0.347SS..EExtended strand (participates in β ladder)trans-142.4155.917870.6-93000110.9L26 T53 F56 L58L26-F51 HydrophobicContact CD1-CE1 3.66Å; L26-F51 HydrophobicContact CD1-CZ 3.53Å; F51-T53 WeakPolarHBondContact CE2-OG1 3.37Å; F51-F56 HydrophobicContact CE2-CD1 4.06Å; F51-F56 HydrophobicContact CZ-CD1 4.14Å; F51-F56 HydrophobicContact CZ-CE1 4.3Å; F51-L58 HydrophobicContact CD1-CB 3.87Å; F51-L58 HydrophobicContact CD1-CD2 3.83Å; F51-L58 HydrophobicContact CD1-CG 4.43Å; F51-L58 HydrophobicContact CE1-CB 3.82Å; F51-L58 HydrophobicContact CE1-CD2 3.56Å; F51-L58 HydrophobicContact CE1-CG 4.33Å; F51-L58 HydrophobicContact CG-CB 4.4Å; F51-L58 HydrophobicContact CZ-CB 4.3Å; F51-L58 PolarHBondContact N-O 3.15Å; F51-L58 VanDerWaalsContact N-O 3.09Å; F51-L58 PolarHBondContact O-N 2.88Å
52S83.5Confident78.8Confident88 Ų8871.5 Ų71.562%0.61537%0.373SS*.EExtended strand (participates in β ladder)trans-131.7128.4172.4-166.40000109.1T57S52-T57 PolarHBondContact OG-OG1 2.88Å
53T82.4Confident78.2Confident79 Ų7973.5 Ų73.549%0.48539%0.386SS..  trans-111.4173174.5-24.50000108.1F51 S55 F56F51-T53 WeakPolarHBondContact CE2-OG1 3.37Å; T53-S55 PolarHBondContact O-N 2.83Å; T53-F56 PolarHBondContact N-O 2.85Å; T53-F56 PolarHBondContact OG1-O 2.81Å
54E81.3Confident77.6Confident207 Ų20773.8 Ų73.897%0.96739%0.387SS*.SBendtrans-60.6-33.3178.7-61.7-174.6171.400112.8
55S81.5Confident76.4Confident61 Ų6180.5 Ų80.543%0.42742%0.415SS..SBendtrans-105-19.9-176.256.30000114.5E30 N35 T53E30-S55 WeakPolarHBondContact OE1-CB 3.24Å; E30-S55 PolarHBondContact OE1-OG 3.36Å; N35-S55 WeakPolarHBondContact CB-O 3.16Å; T53-S55 PolarHBondContact O-N 2.83Å
56F86.1Confident75.3Confident4 Ų482.6 Ų82.62%0.01842%0.42CS..  trans-147.4134.6-170.1-172.8-97.5000113.8L26 I29 E30 N35 L37 F51 T53 L58L26-F56 HydrophobicContact CB-CE1 4.24Å; L26-F56 HydrophobicContact CB-CZ 4.41Å; L26-F56 HydrophobicContact CD1-CE1 4.39Å; L26-F56 HydrophobicContact CD2-CE1 3.83Å; L26-F56 HydrophobicContact CD2-CZ 3.84Å; L26-F56 HydrophobicContact CG-CE1 4.37Å; I29-F56 HydrophobicContact CB-CE2 4.36Å; I29-F56 HydrophobicContact CG2-CE2 3.76Å; I29-F56 HydrophobicContact CG2-CZ 4.34Å; E30-F56 HydrophobicContact CB-CD2 4.25Å; N35-F56 WeakPolarHBondContact O-CA 3.26Å; L37-F56 HydrophobicContact CB-CE1 4.3Å; L37-F56 HydrophobicContact CB-CE2 4.16Å; L37-F56 HydrophobicContact CB-CZ 3.48Å; L37-F56 VanDerWaalsContact CB-CZ 3.48Å; L37-F56 HydrophobicContact CD2-CZ 4.29Å; F51-F56 HydrophobicContact CE2-CD1 4.06Å; F51-F56 HydrophobicContact CZ-CD1 4.14Å; F51-F56 HydrophobicContact CZ-CE1 4.3Å; T53-F56 PolarHBondContact N-O 2.85Å; T53-F56 PolarHBondContact OG1-O 2.81Å; F56-L58 HydrophobicContact CE1-CB 4.13Å
57T86.1Confident73.8Confident36 Ų3689.1 Ų89.122%0.22145%0.445CS..EExtended strand (participates in β ladder)trans-120.1126.9175.5-53.30000111.8N35 R36 L37 S52N35-T57 PolarHBondContact O-N 2.85Å; R36-T57 CarbonylContact C-O 3.59Å; R36-T57 WeakPolarHBondContact CA-O 3.5Å; L37-T57 PolarHBondContact N-O 3.16Å; S52-T57 PolarHBondContact OG-OG1 2.88Å
58L86.6Confident72.3Confident2 Ų289.3 Ų89.31%0.0146%0.462CS..EExtended strand (participates in β ladder)trans-105.5111.6169.7178.859.6000110.4L26 L37 L39 P50 F51 F56 V60L26-L58 HydrophobicContact CD1-CD2 4.45Å; L37-L58 HydrophobicContact CB-CD1 4.03Å; L37-L58 HydrophobicContact CD2-CD1 3.75Å; L37-L58 HydrophobicContact CG-CD1 3.79Å; L37-L58 CarbonylContact O-C 3.56Å; L37-L58 WeakPolarHBondContact O-CA 2.99Å; L39-L58 HydrophobicContact CD1-CD1 4.1Å; P50-L58 CarbonylContact C-O 3.56Å; P50-L58 VanDerWaalsContact CA-O 3.24Å; P50-L58 WeakPolarHBondContact CA-O 3.32Å; P50-L58 WeakPolarHBondContact CB-O 3.41Å; F51-L58 HydrophobicContact CD1-CB 3.87Å; F51-L58 HydrophobicContact CD1-CD2 3.83Å; F51-L58 HydrophobicContact CD1-CG 4.43Å; F51-L58 HydrophobicContact CE1-CB 3.82Å; F51-L58 HydrophobicContact CE1-CD2 3.56Å; F51-L58 HydrophobicContact CE1-CG 4.33Å; F51-L58 HydrophobicContact CG-CB 4.4Å; F51-L58 HydrophobicContact CZ-CB 4.3Å; F51-L58 PolarHBondContact N-O 3.15Å; F51-L58 VanDerWaalsContact N-O 3.09Å; F51-L58 PolarHBondContact O-N 2.88Å; F56-L58 HydrophobicContact CE1-CB 4.13Å; L58-V60 HydrophobicContact CD1-CG2 4.39Å; L58-V60 HydrophobicContact CD2-CG2 4.43Å; L58-V60 HydrophobicContact CG-CG2 4.08Å
59D84Confident70Confident35 Ų3595.2 Ų95.219%0.18749%0.493CS..EExtended strand (participates in β ladder)trans-101.1134.4169.9-68.7-63.5000110.5R36 L37 I38 L39 Y61R36-D59 IonicContact CZ-OD2 3.2Å; R36-D59 IonicContact NE-OD2 2.91Å; R36-D59 PolarHBondContact NE-OD2 3.44Å; R36-D59 IonicContact NH2-OD2 2.69Å; R36-D59 PolarHBondContact NH2-OD2 2.69Å; L37-D59 PolarHBondContact O-N 3.29Å; I38-D59 CarbonylContact C-O 3.58Å; I38-D59 VanDerWaalsContact CA-O 3.32Å; I38-D59 WeakPolarHBondContact CA-O 3.25Å; I38-D59 HydrophobicContact CG1-CB 4.1Å; I38-D59 HydrophobicContact CG2-CB 4.28Å; L39-D59 PolarHBondContact N-O 3.26Å; D59-Y61 HydrophobicContact CB-CD2 4.49Å; D59-Y61 HydrophobicContact CB-CE2 3.77Å
60V81.9Confident68.4Low25 Ų2592.9 Ų92.915%0.15250%0.495CS..EExtended strand (participates in β ladder)trans-121.8123.5178.6-173.80000109.2L39 I41 V47 P48 P50 L58L39-V60 CarbonylContact O-C 3.55Å; L39-V60 WeakPolarHBondContact O-CA 3.47Å; I41-V60 HydrophobicContact CD1-CG1 4.12Å; I41-V60 HydrophobicContact CG1-CG1 4.3Å; I41-V60 HydrophobicContact CG2-CG1 4.19Å; V47-V60 HydrophobicContact CG1-CG1 4.1Å; P48-V60 HydrophobicContact CB-CG2 4.48Å; P48-V60 HydrophobicContact CG-CG1 4.28Å; P48-V60 HydrophobicContact CG-CG2 3.9Å; P48-V60 WeakPolarHBondContact O-CG2 3.41Å; P50-V60 HydrophobicContact CB-CB 4.48Å; P50-V60 HydrophobicContact CB-CG2 4.34Å; L58-V60 HydrophobicContact CD1-CG2 4.39Å; L58-V60 HydrophobicContact CD2-CG2 4.43Å; L58-V60 HydrophobicContact CG-CG2 4.08Å
61Y78.7Confident66.3Low50 Ų5090.5 Ų90.520%0.19649%0.486CS..EExtended strand (participates in β ladder)trans-120.8125.8-179.6-64.9-69.3000110.2I38 L39 Q40 I41 D59I38-Y61 HydrophobicContact CG2-CD2 3.57Å; I38-Y61 HydrophobicContact CG2-CE2 3.54Å; L39-Y61 PolarHBondContact O-N 3.03Å; Q40-Y61 CarbonylContact C-O 3.55Å; Q40-Y61 VanDerWaalsContact CA-O 3.25Å; Q40-Y61 WeakPolarHBondContact CA-O 3.32Å; I41-Y61 WeakPolarHBondContact CG1-O 3.33Å; I41-Y61 PolarHBondContact N-O 2.86Å; D59-Y61 HydrophobicContact CB-CD2 4.49Å; D59-Y61 HydrophobicContact CB-CE2 3.77Å
62R72.2Confident63.9Low149 Ų14996.3 Ų96.356%0.56251%0.511SS*.EExtended strand (participates in β ladder)trans-85.3123.4169.1-162.4165.7-166171.73.8109.9I41 G44 R64I41-R62 HydrophobicContact CD1-CB 4.28Å; I41-R62 HydrophobicContact CD1-CG 4.28Å; I41-R62 HydrophobicContact CG1-CB 4Å; I41-R62 HydrophobicContact CG1-CG 4.07Å; I41-R62 WeakPolarHBondContact O-CA 3.41Å; G44-R62 PolarHBondContact O-NH2 2.91Å; R62-R64 PolarHBondContact O-N 2.89Å
63C60.7Low61.9Low48 Ų48103.6 Ų103.632%0.32453%0.525SS..  trans-58.3111.2172.7-169.90000108.1Q40 I41 K65Q40-C63 HydrophobicContact CG-CB 4.22Å; I41-C63 PolarHBondContact O-N 3.28Å; C63-K65 PolarHBondContact O-N 3.39Å
64R55.7Low59.3Low165 Ų165109.4 Ų109.462%0.62354%0.543SS*.  trans-65.3129.9177.2-147.6177.6-160.3-171.16.2106.4R62 L66 G71R62-R64 PolarHBondContact O-N 2.89Å; R64-L66 PolarHBondContact O-N 2.94Å; R64-G71 PolarHBondContact NH1-O 3.22Å; R64-G71 PolarHBondContact NH2-O 2.95Å
65K43.4Very low57.1Low145 Ų145103.6 Ų103.663%0.6353%0.531SS*.  trans-51.2116.6170.6-71.4-158.3-179.1179.50107.1C63 F67C63-K65 PolarHBondContact O-N 3.39Å; K65-F67 PolarHBondContact O-N 2.98Å
66L43.7Very low55.1Low160 Ų160105.6 Ų105.684%0.83854%0.541SS*.SBendtrans-70.732.8172.3-71.2174.1000111.7R64R64-L66 PolarHBondContact O-N 2.94Å
67F39.9Very low52.8Low190 Ų190117.5 Ų117.583%0.83359%0.585SS**SBendtrans-12094.6171.9-85.4-81.4000108.2K65K65-F67 PolarHBondContact O-N 2.98Å
68G43.4Very low50.5Low78 Ų78118.5 Ų118.580%0.80459%0.594SS**  trans38.485.7156.500000116.3
69D33Very low48.3Very low140 Ų140121 Ų12175%0.74962%0.62SS**  trans-152.7128.2132.9-144.2-17.1000112.3G71D69-G71 PolarHBondContact O-N 3.22Å
70S45.9Very low46.2Very low121 Ų121121.8 Ų121.885%0.84662%0.621SS**  trans-68.863.9175.937.70000111.2
71G38.1Very low44.4Very low33 Ų33124 Ų12434%0.3463%0.629SS.*  trans-94.7111.817800000112.1R64 D69R64-G71 PolarHBondContact NH1-O 3.22Å; R64-G71 PolarHBondContact NH2-O 2.95Å; D69-G71 PolarHBondContact O-N 3.22Å
72K34Very low42.7Very low206 Ų206130.9 Ų130.990%0.89665%0.654SS**  trans-30.5133.2-175.7-66.8-179.8178.8173.30116.3K74K72-K74 PolarHBondContact O-N 3.07Å
73R41Very low41.3Very low241 Ų241130.1 Ų130.191%0.90966%0.655SS**  trans-65.6119.4176.2-64.8169.4171.6146.9-3110.5
74K28.4Very low40.6Very low201 Ų201128.2 Ų128.287%0.87464%0.642SS**  trans-101.899.4147.3-77.1-164.8178.9-176.20107.4K72 T76K72-K74 PolarHBondContact O-N 3.07Å; K74-T76 PolarHBondContact O-N 2.96Å
75A35.4Very low40Very low86 Ų86124.8 Ų124.871%0.71164%0.636SS**  trans-77.396.317700000109.1R77A75-R77 PolarHBondContact O-N 3.09Å
76T38Very low40.1Very low103 Ų103123.9 Ų123.963%0.63263%0.634SS**  trans-71.8105.4152.148.60000106.3K74 S78K74-T76 PolarHBondContact O-N 2.96Å; T76-S78 VanDerWaalsContact C-N 3.28Å; T76-S78 PolarHBondContact O-N 3.19Å
77R38.3Very low40Very low253 Ų253118.7 Ų118.796%0.95561%0.605SS**  trans-80.668.8-165.8-161.2-178.8-169.5179.32.1110.2A75A75-R77 PolarHBondContact O-N 3.09Å
78S38.7Very low40.2Very low58 Ų58111.4 Ų111.441%0.40658%0.578SS.*  trans-103.3119165.1178.80000108.7T76 Y80 K81T76-S78 VanDerWaalsContact C-N 3.28Å; T76-S78 PolarHBondContact O-N 3.19Å; S78-Y80 PolarHBondContact O-N 3.44Å; S78-K81 WeakPolarHBondContact O-CB 3.42Å; S78-K81 PolarHBondContact O-N 3.18Å
79G40.6Very low40.2Very low54 Ų54111 Ų11156%0.55756%0.563SS**THydrogen-bonded Turntrans-55.8-16.2-178.400000114.5K81G79-K81 VanDerWaalsContact C-N 3.29Å; G79-K81 PolarHBondContact O-N 3.34Å
80Y39.4Very low40.5Very low51 Ų51107.9 Ų107.920%0.256%0.557CS.*Hα-helixtrans-62.4-33.4173.3-158.3-83.8000113.2C3 I38 S78 R82 K83 V84C3-Y80 HydrophobicContact CB-CE2 4.46Å; C3-Y80 PolarHBondContact SG-OH 3.34Å; I38-Y80 HydrophobicContact CD1-CD1 3.39Å; I38-Y80 HydrophobicContact CD1-CE1 2.88Å; I38-Y80 HydrophobicContact CD1-CE2 4.1Å; I38-Y80 HydrophobicContact CD1-CG 4.21Å; I38-Y80 HydrophobicContact CG1-CE1 4.3Å; S78-Y80 PolarHBondContact O-N 3.44Å; Y80-R82 VanDerWaalsContact C-N 3.32Å; Y80-R82 PolarHBondContact O-N 3.49Å; Y80-K83 PolarHBondContact O-N 3.38Å; Y80-V84 HydrophobicContact CD1-CG2 3.56Å; Y80-V84 HydrophobicContact CE1-CG2 3.36Å; Y80-V84 PolarHBondContact O-N 3.34Å
81K43.7Very low40.1Very low73 Ų73104.4 Ų104.432%0.31754%0.54SS..Hα-helixtrans-61.4-37.2-177.2-172.5163-176.9162.10113.1S78 G79 K83 V84 D85S78-K81 WeakPolarHBondContact O-CB 3.42Å; S78-K81 PolarHBondContact O-N 3.18Å; G79-K81 VanDerWaalsContact C-N 3.29Å; G79-K81 PolarHBondContact O-N 3.34Å; K81-K83 PolarHBondContact O-N 3.39Å; K81-V84 PolarHBondContact O-N 3.46Å; K81-D85 PolarHBondContact O-N 3.23Å
82R43.7Very low40.2Very low194 Ų194108.4 Ų108.473%0.73256%0.558SS**Hα-helixtrans-63.6-41.6178.6-83.9-170.2-74.1152.6-3.9112.5Y80 E86Y80-R82 VanDerWaalsContact C-N 3.32Å; Y80-R82 PolarHBondContact O-N 3.49Å; R82-E86 VanDerWaalsContact O-CB 3.23Å; R82-E86 WeakPolarHBondContact O-CB 3.43Å; R82-E86 PolarHBondContact O-N 2.85Å
83K43Very low40.1Very low132 Ų132101 Ų10157%0.57454%0.54SS*.Hα-helixtrans-70-34.2178.1-77.4-164.7175.6-174.50112.5Y80 K81 E86 Q87Y80-K83 PolarHBondContact O-N 3.38Å; K81-K83 PolarHBondContact O-N 3.39Å; K83-E86 PolarHBondContact O-N 2.87Å; K83-Q87 WeakPolarHBondContact O-CB 3.49Å; K83-Q87 VanDerWaalsContact O-CG 3.31Å; K83-Q87 WeakPolarHBondContact O-CG 3.32Å; K83-Q87 PolarHBondContact O-N 2.88Å
84V46.2Very low39.6Very low8 Ų899.9 Ų99.95%0.04854%0.542CS..Hα-helixtrans-66.5-46.3175.4169.70000111.3F5 Y80 K81 E86 Q87 S88F5-V84 HydrophobicContact CD2-CG1 4.45Å; F5-V84 HydrophobicContact CD2-CG2 4.01Å; F5-V84 HydrophobicContact CE2-CB 4.22Å; F5-V84 HydrophobicContact CE2-CG1 3.42Å; F5-V84 VanDerWaalsContact CE2-CG1 3.42Å; F5-V84 HydrophobicContact CE2-CG2 3.77Å; F5-V84 HydrophobicContact CZ-CG1 3.6Å; F5-V84 HydrophobicContact CZ-CG2 4.44Å; Y80-V84 HydrophobicContact CD1-CG2 3.56Å; Y80-V84 HydrophobicContact CE1-CG2 3.36Å; Y80-V84 PolarHBondContact O-N 3.34Å; K81-V84 PolarHBondContact O-N 3.46Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.99Å; V84-Q87 PolarHBondContact O-N 2.93Å; V84-S88 WeakPolarHBondContact O-CB 3.26Å; V84-S88 PolarHBondContact O-N 2.71Å; V84-S88 PolarHBondContact O-OG 3.44Å
85D42.5Very low39.6Very low93 Ų9394.1 Ų94.150%0.49753%0.532SS..Hα-helixtrans-63.3-39.9176.8-68.7-34.8000110.5K81 S89K81-D85 PolarHBondContact O-N 3.23Å; D85-S89 VanDerWaalsContact O-CB 3.3Å; D85-S89 WeakPolarHBondContact O-CB 3.47Å; D85-S89 PolarHBondContact O-N 2.79Å; D85-S89 PolarHBondContact O-OG 2.92Å
86E44.2Very low39.3Very low126 Ų12693.9 Ų93.959%0.58953%0.53SS*.Hα-helixtrans-66.5-45.5177.5-166.4167.7-16200112R82 K83 V84 S89 A90R82-E86 VanDerWaalsContact O-CB 3.23Å; R82-E86 WeakPolarHBondContact O-CB 3.43Å; R82-E86 PolarHBondContact O-N 2.85Å; K83-E86 PolarHBondContact O-N 2.87Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.99Å; E86-S89 PolarHBondContact O-N 2.76Å; E86-S89 PolarHBondContact O-OG 2.97Å; E86-A90 WeakPolarHBondContact O-CB 3.26Å; E86-A90 PolarHBondContact O-N 3.09Å
87Q43.3Very low39.1Very low51 Ų5196.5 Ų96.524%0.23855%0.546CS..Hα-helixtrans-69.7-36.9176.4-74.2-177.4-23.900113K83 V84 S89 A90 G91K83-Q87 WeakPolarHBondContact O-CB 3.49Å; K83-Q87 VanDerWaalsContact O-CG 3.31Å; K83-Q87 WeakPolarHBondContact O-CG 3.32Å; K83-Q87 PolarHBondContact O-N 2.88Å; V84-Q87 PolarHBondContact O-N 2.93Å; Q87-S89 VanDerWaalsContact C-N 3.27Å; Q87-S89 PolarHBondContact O-N 2.76Å; Q87-A90 PolarHBondContact O-N 3.24Å; Q87-G91 PolarHBondContact O-N 2.98Å
88S44.3Very low38.7Very low38 Ų3891.5 Ų91.527%0.26653%0.534SS..Hα-helixtrans-63.6-36.1172.4-61.70000111.5Q40 V84Q40-S88 PolarHBondContact OE1-OG 3.13Å; V84-S88 WeakPolarHBondContact O-CB 3.26Å; V84-S88 PolarHBondContact O-N 2.71Å; V84-S88 PolarHBondContact O-OG 3.44Å
89S42.9Very low38.5Very low70 Ų70101.6 Ų101.649%0.4956%0.563SS.*Hα-helixtrans-76.2-35.4175.778.30000112.6D85 E86 Q87 G91 T92D85-S89 VanDerWaalsContact O-CB 3.3Å; D85-S89 WeakPolarHBondContact O-CB 3.47Å; D85-S89 PolarHBondContact O-N 2.79Å; D85-S89 PolarHBondContact O-OG 2.92Å; E86-S89 PolarHBondContact O-N 2.76Å; E86-S89 PolarHBondContact O-OG 2.97Å; Q87-S89 VanDerWaalsContact C-N 3.27Å; Q87-S89 PolarHBondContact O-N 2.76Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.48Å; S89-T92 VanDerWaalsContact O-CB 3.29Å; S89-T92 WeakPolarHBondContact O-CB 3.09Å; S89-T92 PolarHBondContact O-N 2.82Å; S89-T92 VanDerWaalsContact O-N 3.08Å; S89-T92 PolarHBondContact O-OG1 2.86Å
90A38.8Very low38.3Very low74 Ų74100.7 Ų100.761%0.61255%0.553SS**Hα-helixtrans-69.5-27.117800000112.8E86 Q87 T92 G93E86-A90 WeakPolarHBondContact O-CB 3.26Å; E86-A90 PolarHBondContact O-N 3.09Å; Q87-A90 PolarHBondContact O-N 3.24Å; A90-T92 PolarHBondContact O-N 3.33Å; A90-T92 VanDerWaalsContact O-N 3.17Å; A90-G93 PolarHBondContact O-N 3.26Å
91G38.5Very low38.7Very low48 Ų48100.1 Ų100.150%0.49556%0.557SS.*THydrogen-bonded Turntrans-65.8-6.8169.300000114.6Q87 S89 G93Q87-G91 PolarHBondContact O-N 2.98Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.48Å; G91-G93 PolarHBondContact O-N 3.33Å
92T40Very low38.9Very low116 Ų11698.5 Ų98.571%0.71255%0.554SS**THydrogen-bonded Turntrans-86.217.2171.9-20.50000112.3S89 A90S89-T92 VanDerWaalsContact O-CB 3.29Å; S89-T92 WeakPolarHBondContact O-CB 3.09Å; S89-T92 PolarHBondContact O-N 2.82Å; S89-T92 VanDerWaalsContact O-N 3.08Å; S89-T92 PolarHBondContact O-OG1 2.86Å; A90-T92 PolarHBondContact O-N 3.33Å; A90-T92 VanDerWaalsContact O-N 3.17Å
93G31Very low39.4Very low52 Ų5289.9 Ų89.954%0.53652%0.523SS..SBendtrans-94.196.3173.700000112A90 G91 A95A90-G93 PolarHBondContact O-N 3.26Å; G91-G93 PolarHBondContact O-N 3.33Å; G93-A95 PolarHBondContact O-N 3.43Å; G93-A95 VanDerWaalsContact O-N 3.12Å
94K30.9Very low40.3Very low216 Ų21685 Ų8594%0.93950%0.503SS*.SBendtrans31.266.6156.9-61.1-173.9179.2-179.40116.5
95A28.2Very low41Very low80 Ų8085 Ų8566%0.66150%0.502SS*.  trans-132.5105.3159.900000109.4G93G93-A95 PolarHBondContact O-N 3.43Å; G93-A95 VanDerWaalsContact O-N 3.12Å
96A29Very low41.9Very low82 Ų8281.9 Ų81.968%0.67848%0.484SS*.  trans53.99616000000117.6Q98A96-Q98 HydrophobicContact CB-CB 4.44Å; A96-Q98 HydrophobicContact CB-CG 4.35Å; A96-Q98 PolarHBondContact O-N 3.46Å
97T33.3Very low42.7Very low157 Ų15776.8 Ų76.896%0.96346%0.461SS*.  trans-59.283.3136.5-61.30000107.8
98Q31.4Very low43.3Very low149 Ų14976.2 Ų76.270%0.69646%0.458SS*.  trans-129.4137.8156.9-71.3-150.8-700107.4A96 G100A96-Q98 HydrophobicContact CB-CB 4.44Å; A96-Q98 HydrophobicContact CB-CG 4.35Å; A96-Q98 PolarHBondContact O-N 3.46Å; Q98-G100 PolarHBondContact O-N 3.27Å
99R34.3Very low43.7Very low270 Ų27075.1 Ų75.1100%1.01945%0.453SS*.SBendtrans-62.576.5-179.5-76.1178.2172.1-169.3-1.8110.6
100G36.4Very low43.9Very low34 Ų3475.8 Ų75.835%0.35146%0.455SS..  trans-152.7125.6176.100000109.1Q98 S102Q98-G100 PolarHBondContact O-N 3.27Å; G100-S102 PolarHBondContact O-N 3.02Å
101S46.9Very low44.5Very low40 Ų4078.4 Ų78.428%0.2846%0.459SS..  trans-74.3109178.7-61.70000109.2F13F13-S101 VanDerWaalsContact CE2-CB 3.43Å; F13-S101 WeakPolarHBondContact CE2-OG 3.05Å
102S48.8Very low45.1Very low38 Ų3881.5 Ų81.527%0.26646%0.464SS..  trans-87127.6179.6-164.60000110.9G100 H119G100-S102 PolarHBondContact O-N 3.02Å; S102-H119 PolarHBondContact OG-ND1 3.34Å
103L54.7Low45.3Very low13 Ų1378.7 Ų78.77%0.06845%0.449CS..EExtended strand (participates in β ladder)trans-90.5131.5163.4-179.466000108.1V6 V8 L16 L105 L137V6-L103 HydrophobicContact CG1-CD1 3.93Å; V8-L103 HydrophobicContact CG1-CD1 3.9Å; L16-L103 HydrophobicContact CD2-CD1 3.57Å; L16-L103 HydrophobicContact CD2-CD2 4.24Å; L16-L103 HydrophobicContact CD2-CG 4.43Å; L103-L105 HydrophobicContact CD2-CD1 4.11Å; L103-L105 HydrophobicContact CD2-CD2 4.25Å; L103-L105 HydrophobicContact CD2-CG 4.05Å; L103-L105 HydrophobicContact CG-CD2 4.4Å; L103-L105 HydrophobicContact CG-CG 4.17Å; L103-L137 HydrophobicContact CD2-CD1 4.31Å
104L60.5Low46Very low29 Ų2984.6 Ų84.615%0.15246%0.455CS..EExtended strand (participates in β ladder)trans-112121.8173.1-75.4170.4000109.6T7 Y106 Q117T7-L104 HydrophobicContact CG2-CB 3.53Å; T7-L104 HydrophobicContact CG2-CD1 4.25Å; T7-L104 PolarHBondContact N-O 3.05Å; T7-L104 PolarHBondContact O-N 3.27Å; L104-Y106 HydrophobicContact CB-CE2 3.92Å; L104-Q117 HydrophobicContact CD2-CG 4.01Å
105L61.3Low46.4Very low8 Ų876.8 Ų76.84%0.04243%0.431CS..EExtended strand (participates in β ladder)trans-114.1123.3176.6-67.1175.8000109.2V6 L103 V118 F134 L137V6-L105 HydrophobicContact CB-CD2 4.03Å; V6-L105 HydrophobicContact CG1-CD2 3.81Å; V6-L105 HydrophobicContact CG2-CD2 3.58Å; L103-L105 HydrophobicContact CD2-CD1 4.11Å; L103-L105 HydrophobicContact CD2-CD2 4.25Å; L103-L105 HydrophobicContact CD2-CG 4.05Å; L103-L105 HydrophobicContact CG-CD2 4.4Å; L103-L105 HydrophobicContact CG-CG 4.17Å; L105-V118 PolarHBondContact N-O 2.85Å; L105-V118 PolarHBondContact O-N 2.93Å; L105-F134 HydrophobicContact CD2-CE2 4.47Å; L105-L137 HydrophobicContact CD1-CB 4.26Å; L105-L137 HydrophobicContact CD1-CD1 3.53Å; L105-L137 HydrophobicContact CD1-CG 4.38Å
106Y62.2Low47.1Very low28 Ų2876.3 Ų76.311%0.1142%0.422CS..EExtended strand (participates in β ladder)trans-114.6123174.3-66-95.2000108.7F5 T7 L104 Q117F5-Y106 AromaticContact CD1-CD2 3.71Å; F5-Y106 HydrophobicContact CD1-CD2 3.71Å; F5-Y106 HydrophobicContact CD1-CE2 4.47Å; F5-Y106 HydrophobicContact CD1-CG 4.31Å; F5-Y106 HydrophobicContact CE1-CD2 4.25Å; F5-Y106 PolarHBondContact N-O 3.46Å; F5-Y106 PolarHBondContact O-N 3.05Å; T7-Y106 HydrophobicContact CG2-CE2 4.44Å; L104-Y106 HydrophobicContact CB-CE2 3.92Å; Y106-Q117 HydrophobicContact CE1-CB 3.91Å; Y106-Q117 HydrophobicContact CE1-CG 3.95Å
107L60.1Low47.7Very low20 Ų2075.6 Ų75.611%0.10541%0.405CS..EExtended strand (participates in β ladder)trans-111.4120.5179.4-62.8174.4000109V4 Y34 F138 W143V4-L107 HydrophobicContact CB-CD2 4.17Å; V4-L107 HydrophobicContact CG1-CD2 3.85Å; V4-L107 HydrophobicContact CG2-CD2 3.7Å; Y34-L107 HydrophobicContact CE1-CD2 4.2Å; L107-F138 HydrophobicContact CD2-CE1 4.06Å; L107-W143 HydrophobicContact CD1-CH2 3.67Å; L107-W143 HydrophobicContact CD1-CZ2 3.13Å
108Q56.5Low48.2Very low38 Ų3869.3 Ų69.318%0.17837%0.367CS..EExtended strand (participates in β ladder)trans-85.1118.6175.5-167.7166.76.900109.5C3 L112C3-Q108 HydrophobicContact CB-CB 4.15Å; C3-Q108 WeakPolarHBondContact O-CB 3.38Å; C3-Q108 PolarHBondContact O-N 3.05Å; Q108-L112 PolarHBondContact NE2-O 3.03Å
109G51.8Low48.6Very low15 Ų1565.6 Ų65.616%0.15535%0.349CS..  trans-69.1167.5176.700000112.9D111 L112 S113G109-D111 PolarHBondContact O-N 3.04Å; G109-D111 VanDerWaalsContact O-N 3.15Å; G109-L112 PolarHBondContact O-N 3.49Å; G109-S113 PolarHBondContact N-O 3.25Å
110P48.1Very low48.8Very low84 Ų8453.2 Ų53.255%0.54530%0.304SS..THydrogen-bonded Turntrans-57.7-25.8178.723.1-31.9000113.5L112P110-L112 VanDerWaalsContact C-N 3.26Å; P110-L112 PolarHBondContact O-N 3.26Å
111D51.5Low48.7Very low130 Ų13056.7 Ų56.770%0.69531%0.31SS*.THydrogen-bonded Turntrans-879.7-174.6-39.7-40000113.2G109 S113G109-D111 PolarHBondContact O-N 3.04Å; G109-D111 VanDerWaalsContact O-N 3.15Å; D111-S113 PolarHBondContact O-N 2.96Å
112L49.4Very low48.2Very low112 Ų11257.5 Ų57.559%0.58631%0.314SS*.SBendtrans59.20.5-173.2-64.6157.1000114.6Q108 G109 P110Q108-L112 PolarHBondContact NE2-O 3.03Å; G109-L112 PolarHBondContact O-N 3.49Å; P110-L112 VanDerWaalsContact C-N 3.26Å; P110-L112 PolarHBondContact O-N 3.26Å
113S45.2Very low47.4Very low58 Ų5860.3 Ų60.341%0.40633%0.334SS..  trans-68.1130.1165.358.40000108.8G109 D111 A115G109-S113 PolarHBondContact N-O 3.25Å; D111-S113 PolarHBondContact O-N 2.96Å; S113-A115 PolarHBondContact O-N 2.88Å; S113-A115 VanDerWaalsContact O-N 3.09Å
114W46.3Very low46.7Very low176 Ų17664 Ų6467%0.66735%0.347SS*.EExtended strand (participates in β ladder)trans-74.199.8170.754.7-80.8000106
115A38Very low45.2Very low51 Ų5171.6 Ų71.642%0.42138%0.382SS..EExtended strand (participates in β ladder)trans-88.8115.5177.300000108S113S113-A115 PolarHBondContact O-N 2.88Å; S113-A115 VanDerWaalsContact O-N 3.09Å
116S44.4Very low44Very low70 Ų7075.8 Ų75.849%0.4941%0.407SS..EExtended strand (participates in β ladder)trans62.7113.4160.5-51.90000116.4V118S116-V118 PolarHBondContact O-N 3.39Å
117Q40.8Very low42.8Very low67 Ų6780 Ų8031%0.31344%0.439SS..EExtended strand (participates in β ladder)trans-59.3101.8157.7-178.5169.6-6.400107.6L104 Y106 H119L104-Q117 HydrophobicContact CD2-CG 4.01Å; Y106-Q117 HydrophobicContact CE1-CB 3.91Å; Y106-Q117 HydrophobicContact CE1-CG 3.95Å; Q117-H119 VanDerWaalsContact C-N 3.31Å; Q117-H119 PolarHBondContact NE2-CD2 2.88Å; Q117-H119 PolarHBondContact NE2-NE2 2.99Å; Q117-H119 VanDerWaalsContact NE2-NE2 3.13Å; Q117-H119 PolarHBondContact O-N 2.8Å
118V43.3Very low42.3Very low26 Ų2688.7 Ų88.716%0.15847%0.47CS..EExtended strand (participates in β ladder)trans-78.893.1170.1-175.90000105.8L105 S116 C120L105-V118 PolarHBondContact N-O 2.85Å; L105-V118 PolarHBondContact O-N 2.93Å; S116-V118 PolarHBondContact O-N 3.39Å; V118-C120 PolarHBondContact O-N 3.36Å
119H39.4Very low41.9Very low70 Ų7088.2 Ų88.232%0.32447%0.467SS..EExtended strand (participates in β ladder)trans-71.981.1168.3-118.9-75.9000107.9S102 Q117 F121 F146S102-H119 PolarHBondContact OG-ND1 3.34Å; Q117-H119 VanDerWaalsContact C-N 3.31Å; Q117-H119 PolarHBondContact NE2-CD2 2.88Å; Q117-H119 PolarHBondContact NE2-NE2 2.99Å; Q117-H119 VanDerWaalsContact NE2-NE2 3.13Å; Q117-H119 PolarHBondContact O-N 2.8Å; H119-F121 PolarHBondContact O-N 3.47Å; H119-F146 WeakPolarHBondContact O-CE1 3.33Å
120C40Very low42.1Very low10 Ų1090.5 Ų90.57%0.06848%0.48CS..EExtended strand (participates in β ladder)trans-73.387.2166-87.10000108.3V118 C122V118-C120 PolarHBondContact O-N 3.36Å; C120-C122 VanDerWaalsContact C-N 3.26Å; C120-C122 PolarHBondContact O-N 2.74Å
121F33.1Very low42.4Very low108 Ų10887.5 Ų87.547%0.47446%0.461SS..  trans-76.483.9164.9-159.9-92.5000108.1H119 S123H119-F121 PolarHBondContact O-N 3.47Å; F121-S123 PolarHBondContact O-N 2.83Å
122C37Very low42.8Very low56 Ų5684.3 Ų84.338%0.37845%0.453SS..  trans-77.8105.8168.2-71.90000107.9C120 W124C120-C122 VanDerWaalsContact C-N 3.26Å; C120-C122 PolarHBondContact O-N 2.74Å; C122-W124 HydrophobicContact CB-CE3 4.49Å; C122-W124 PolarHBondContact O-N 3.45Å; C122-W124 VanDerWaalsContact O-N 3.09Å
123S31.1Very low43.3Very low97 Ų9782.7 Ų82.768%0.67845%0.445SS*.  trans-63.6109.2168.7-159.20000108F121 E125F121-S123 PolarHBondContact O-N 2.83Å; S123-E125 PolarHBondContact O-N 2.85Å
124W40.3Very low44.2Very low92 Ų9279.9 Ų79.935%0.34843%0.425SS..  trans-92.686.2-160.3-160.9-71.7000111.8F13 C122 V126 F129F13-W124 AromaticContact CD1-CH2 3.76Å; F13-W124 HydrophobicContact CD1-CH2 3.76Å; F13-W124 HydrophobicContact CD1-CZ2 4.04Å; F13-W124 HydrophobicContact CD1-CZ3 4.12Å; F13-W124 AromaticContact CE1-CD2 3.8Å; F13-W124 HydrophobicContact CE1-CD2 3.8Å; F13-W124 AromaticContact CE1-CE2 3.68Å; F13-W124 AromaticContact CE1-CE3 3.72Å; F13-W124 HydrophobicContact CE1-CE3 3.72Å; F13-W124 AromaticContact CE1-CH2 3.42Å; F13-W124 HydrophobicContact CE1-CH2 3.42Å; F13-W124 VanDerWaalsContact CE1-CH2 3.42Å; F13-W124 AromaticContact CE1-CZ2 3.51Å; F13-W124 HydrophobicContact CE1-CZ2 3.51Å; F13-W124 AromaticContact CE1-CZ3 3.53Å; F13-W124 HydrophobicContact CE1-CZ3 3.53Å; F13-W124 HydrophobicContact CZ-CD2 4.27Å; F13-W124 HydrophobicContact CZ-CE3 4.27Å; F13-W124 HydrophobicContact CZ-CZ3 4.44Å; C122-W124 HydrophobicContact CB-CE3 4.49Å; C122-W124 PolarHBondContact O-N 3.45Å; C122-W124 VanDerWaalsContact O-N 3.09Å; W124-V126 PolarHBondContact NE1-O 3.48Å; W124-F129 HydrophobicContact CH2-CB 3.99Å; W124-F129 AromaticContact CH2-CD2 3.38Å; W124-F129 HydrophobicContact CH2-CD2 3.38Å; W124-F129 HydrophobicContact CH2-CE2 4.14Å; W124-F129 AromaticContact CH2-CG 3.92Å; W124-F129 HydrophobicContact CH2-CG 3.92Å; W124-F129 HydrophobicContact CZ2-CB 4.02Å; W124-F129 HydrophobicContact CZ2-CD2 4.1Å; W124-F129 HydrophobicContact CZ2-CG 4.44Å; W124-F129 HydrophobicContact CZ3-CD2 4.04Å; W124-F129 HydrophobicContact CZ3-CE2 4.41Å
125E29Very low44.9Very low188 Ų18872.3 Ų72.388%0.87940%0.398SS*.  trans-111.925.4170.8-115.3172.1101.500112.2S123S123-E125 PolarHBondContact O-N 2.85Å
126V35.5Very low46.1Very low95 Ų9572.3 Ų72.358%0.57639%0.394SS*.  trans-117.7124.6-179.8-125.50000111.3W124 R128W124-V126 PolarHBondContact NE1-O 3.48Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.35Å
127P38.5Very low46.9Very low118 Ų11870.5 Ų70.577%0.76638%0.379SS*.SBendtrans-76.9-4.1-173.8-11.426.2000115.2
128R49.3Very low47.8Very low202 Ų20268.1 Ų68.176%0.76237%0.367SS*.  trans-146119-177.1-65.4-172.1-169.3155.53.6110.3V126V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.35Å
129F48.7Very low48.4Very low27 Ų2775 Ų7512%0.11839%0.391CS..  trans-85.9131.2169.5-164.2-95000108.4L16 C19 W124 D133 F134L16-F129 HydrophobicContact CB-CD1 4.12Å; L16-F129 HydrophobicContact CB-CE1 4.47Å; L16-F129 HydrophobicContact CB-CG 4.37Å; L16-F129 HydrophobicContact CD1-CD1 3.58Å; L16-F129 HydrophobicContact CD1-CD2 4.4Å; L16-F129 HydrophobicContact CD1-CE1 3.07Å; L16-F129 HydrophobicContact CD1-CE2 3.99Å; L16-F129 HydrophobicContact CD1-CG 4.21Å; L16-F129 HydrophobicContact CD1-CZ 3.32Å; L16-F129 HydrophobicContact CG-CD1 4.46Å; L16-F129 HydrophobicContact CG-CE1 4.32Å; C19-F129 HydrophobicContact CB-CD1 3.73Å; C19-F129 HydrophobicContact CB-CE1 4.05Å; C19-F129 PolarHBondContact SG-O 2.99Å; W124-F129 HydrophobicContact CH2-CB 3.99Å; W124-F129 AromaticContact CH2-CD2 3.38Å; W124-F129 HydrophobicContact CH2-CD2 3.38Å; W124-F129 HydrophobicContact CH2-CE2 4.14Å; W124-F129 AromaticContact CH2-CG 3.92Å; W124-F129 HydrophobicContact CH2-CG 3.92Å; W124-F129 HydrophobicContact CZ2-CB 4.02Å; W124-F129 HydrophobicContact CZ2-CD2 4.1Å; W124-F129 HydrophobicContact CZ2-CG 4.44Å; W124-F129 HydrophobicContact CZ3-CD2 4.04Å; W124-F129 HydrophobicContact CZ3-CE2 4.41Å; F129-D133 HydrophobicContact CD2-CB 4.48Å; F129-D133 HydrophobicContact CE2-CB 4.15Å; F129-D133 HydrophobicContact CZ-CB 4.32Å; F129-F134 HydrophobicContact CE1-CB 3.74Å; F129-F134 HydrophobicContact CZ-CB 3.91Å; F129-F134 HydrophobicContact CZ-CD2 4.45Å
130C55.4Low48.6Very low63 Ų6377 Ų7743%0.42641%0.41SS..  trans-117.4156.7177.6-69.70000111.2A132 D133 F134C130-A132 PolarHBondContact O-N 3.06Å; C130-A132 VanDerWaalsContact O-N 3.11Å; C130-D133 PolarHBondContact N-OD2 3.42Å; C130-D133 VanDerWaalsContact N-OD2 3.09Å; C130-D133 WeakPolarHBondContact O-CB 3.5Å; C130-D133 PolarHBondContact O-N 3.07Å; C130-F134 PolarHBondContact O-N 3.27Å
131S54.4Low48.5Very low21 Ų2188 Ų8815%0.14745%0.45CS..Hα-helixtrans-54.9-31.4175.4174.10000112.3S25 D133 F134 N135S25-S131 PolarHBondContact OG-OG 3.09Å; S131-D133 VanDerWaalsContact C-N 3.34Å; S131-D133 PolarHBondContact O-N 3.11Å; S131-F134 PolarHBondContact O-N 3.13Å; S131-N135 VanDerWaalsContact O-CB 3.31Å; S131-N135 WeakPolarHBondContact O-CB 3.3Å; S131-N135 PolarHBondContact O-N 3.11Å; S131-N135 PolarHBondContact O-ND2 3.28Å; S131-N135 PolarHBondContact OG-ND2 3.31Å
132A59.4Low48.7Very low63 Ų6386.7 Ų86.752%0.52145%0.447SS..Hα-helixtrans-59.2-40.8174.200000113.1C130 N135 C136C130-A132 PolarHBondContact O-N 3.06Å; C130-A132 VanDerWaalsContact O-N 3.11Å; A132-N135 PolarHBondContact O-N 2.94Å; A132-C136 PolarHBondContact O-N 3.25Å; A132-C136 VanDerWaalsContact O-N 3.12Å; A132-C136 PolarHBondContact O-SG 2.93Å
133D61.1Low48.5Very low78 Ų7889.9 Ų89.942%0.41745%0.452SS..Hα-helixtrans-70.1-40.4-179.3-57.4-50.4000111.4F129 C130 S131 N135 C136F129-D133 HydrophobicContact CD2-CB 4.48Å; F129-D133 HydrophobicContact CE2-CB 4.15Å; F129-D133 HydrophobicContact CZ-CB 4.32Å; C130-D133 PolarHBondContact N-OD2 3.42Å; C130-D133 VanDerWaalsContact N-OD2 3.09Å; C130-D133 WeakPolarHBondContact O-CB 3.5Å; C130-D133 PolarHBondContact O-N 3.07Å; S131-D133 VanDerWaalsContact C-N 3.34Å; S131-D133 PolarHBondContact O-N 3.11Å; D133-N135 VanDerWaalsContact C-N 3.34Å; D133-C136 WeakPolarHBondContact O-CB 3.2Å; D133-C136 PolarHBondContact O-N 3.45Å
134F62.3Low48.5Very low0 Ų089.2 Ų89.20%045%0.452CS..Hα-helixtrans-61.6-44.6172.3-175.3-116.8000111.9V20 I29 L105 F129 C130 S131 C136 L137 F138V20-F134 HydrophobicContact CB-CE1 4.36Å; V20-F134 HydrophobicContact CB-CE2 4.45Å; V20-F134 HydrophobicContact CB-CZ 4.22Å; V20-F134 HydrophobicContact CG1-CE1 3.98Å; V20-F134 HydrophobicContact CG1-CE2 4.22Å; V20-F134 HydrophobicContact CG1-CZ 3.66Å; V20-F134 HydrophobicContact CG2-CD1 4.12Å; V20-F134 HydrophobicContact CG2-CD2 3.53Å; V20-F134 HydrophobicContact CG2-CE1 4Å; V20-F134 HydrophobicContact CG2-CE2 3.42Å; V20-F134 VanDerWaalsContact CG2-CE2 3.42Å; V20-F134 HydrophobicContact CG2-CG 3.88Å; V20-F134 HydrophobicContact CG2-CZ 3.65Å; I29-F134 HydrophobicContact CD1-CE1 3.88Å; I29-F134 HydrophobicContact CD1-CZ 4.24Å; I29-F134 HydrophobicContact CG1-CE1 4.47Å; L105-F134 HydrophobicContact CD2-CE2 4.47Å; F129-F134 HydrophobicContact CE1-CB 3.74Å; F129-F134 HydrophobicContact CZ-CB 3.91Å; F129-F134 HydrophobicContact CZ-CD2 4.45Å; C130-F134 PolarHBondContact O-N 3.27Å; S131-F134 PolarHBondContact O-N 3.13Å; F134-C136 PolarHBondContact O-N 3.06Å; F134-L137 HydrophobicContact CD2-CD1 3.96Å; F134-L137 HydrophobicContact CE2-CD1 4.48Å; F134-L137 WeakPolarHBondContact O-CB 3.31Å; F134-L137 WeakPolarHBondContact O-CG 3.33Å; F134-L137 PolarHBondContact O-N 3.34Å; F134-F138 AromaticContact CD1-CE2 3.87Å; F134-F138 HydrophobicContact CD1-CE2 3.87Å; F134-F138 HydrophobicContact CD2-CE2 4.32Å; F134-F138 HydrophobicContact CE1-CD2 4.42Å; F134-F138 AromaticContact CE1-CE2 3.39Å; F134-F138 HydrophobicContact CE1-CE2 3.39Å; F134-F138 AromaticContact CE1-CZ 3.96Å; F134-F138 HydrophobicContact CE1-CZ 3.96Å; F134-F138 AromaticContact CE2-CE2 3.87Å; F134-F138 HydrophobicContact CE2-CE2 3.87Å; F134-F138 HydrophobicContact CE2-CZ 4.27Å; F134-F138 HydrophobicContact CG-CE2 4.32Å; F134-F138 AromaticContact CZ-CE2 3.39Å; F134-F138 HydrophobicContact CZ-CE2 3.39Å; F134-F138 AromaticContact CZ-CZ 3.64Å; F134-F138 HydrophobicContact CZ-CZ 3.64Å; F134-F138 WeakPolarHBondContact O-CD2 3.48Å
135N62Low48.1Very low17 Ų1788.5 Ų88.59%0.09147%0.465CS..Hα-helixtrans-64.6-24.7-179.7-73.5-34.5000112.8K28 S131 A132 D133 L137 F138K28-N135 HydrophobicContact CD-CB 3.82Å; K28-N135 WeakPolarHBondContact CD-OD1 3.39Å; S131-N135 VanDerWaalsContact O-CB 3.31Å; S131-N135 WeakPolarHBondContact O-CB 3.3Å; S131-N135 PolarHBondContact O-N 3.11Å; S131-N135 PolarHBondContact O-ND2 3.28Å; S131-N135 PolarHBondContact OG-ND2 3.31Å; A132-N135 PolarHBondContact O-N 2.94Å; D133-N135 VanDerWaalsContact C-N 3.34Å; N135-L137 PolarHBondContact O-N 2.93Å; N135-F138 PolarHBondContact O-N 3.45Å
136C63.8Low48.1Very low51 Ų5184 Ų8435%0.34544%0.443SS..Hα-helixtrans-63.7-30.1171.5-720000112.4A132 D133 F134 F138 R139 L142A132-C136 PolarHBondContact O-N 3.25Å; A132-C136 VanDerWaalsContact O-N 3.12Å; A132-C136 PolarHBondContact O-SG 2.93Å; D133-C136 WeakPolarHBondContact O-CB 3.2Å; D133-C136 PolarHBondContact O-N 3.45Å; F134-C136 PolarHBondContact O-N 3.06Å; C136-F138 PolarHBondContact O-N 3.17Å; C136-R139 WeakPolarHBondContact O-CB 3.38Å; C136-R139 PolarHBondContact O-N 2.83Å; C136-L142 HydrophobicContact CB-CD1 4.1Å; C136-L142 WeakPolarHBondContact O-CD1 3.23Å
137L60.8Low47.6Very low32 Ų3290.2 Ų90.217%0.16846%0.456CS..THydrogen-bonded Turntrans-64.9-20.5177.8-57172.7000112.9L103 L105 F134 N135 W143L103-L137 HydrophobicContact CD2-CD1 4.31Å; L105-L137 HydrophobicContact CD1-CB 4.26Å; L105-L137 HydrophobicContact CD1-CD1 3.53Å; L105-L137 HydrophobicContact CD1-CG 4.38Å; F134-L137 HydrophobicContact CD2-CD1 3.96Å; F134-L137 HydrophobicContact CE2-CD1 4.48Å; F134-L137 WeakPolarHBondContact O-CB 3.31Å; F134-L137 WeakPolarHBondContact O-CG 3.33Å; F134-L137 PolarHBondContact O-N 3.34Å; N135-L137 PolarHBondContact O-N 2.93Å; L137-W143 PolarHBondContact O-NE1 3.12Å
138F58.5Low47.1Very low17 Ų1789.9 Ų89.98%0.07545%0.447CS..THydrogen-bonded Turntrans-98.42.7176.7-59.7-86.8000113.5V4 I29 L32 L107 F134 N135 C136V4-F138 HydrophobicContact CG1-CZ 4.4Å; V4-F138 HydrophobicContact CG2-CE1 4.35Å; I29-F138 HydrophobicContact CD1-CZ 4.47Å; I29-F138 HydrophobicContact CG1-CE1 4.44Å; I29-F138 HydrophobicContact CG1-CZ 4.11Å; L32-F138 HydrophobicContact CD1-CB 3.53Å; L32-F138 HydrophobicContact CD1-CD1 3.62Å; L32-F138 HydrophobicContact CD1-CG 3.72Å; L107-F138 HydrophobicContact CD2-CE1 4.06Å; F134-F138 AromaticContact CD1-CE2 3.87Å; F134-F138 HydrophobicContact CD1-CE2 3.87Å; F134-F138 HydrophobicContact CD2-CE2 4.32Å; F134-F138 HydrophobicContact CE1-CD2 4.42Å; F134-F138 AromaticContact CE1-CE2 3.39Å; F134-F138 HydrophobicContact CE1-CE2 3.39Å; F134-F138 AromaticContact CE1-CZ 3.96Å; F134-F138 HydrophobicContact CE1-CZ 3.96Å; F134-F138 AromaticContact CE2-CE2 3.87Å; F134-F138 HydrophobicContact CE2-CE2 3.87Å; F134-F138 HydrophobicContact CE2-CZ 4.27Å; F134-F138 HydrophobicContact CG-CE2 4.32Å; F134-F138 AromaticContact CZ-CE2 3.39Å; F134-F138 HydrophobicContact CZ-CE2 3.39Å; F134-F138 AromaticContact CZ-CZ 3.64Å; F134-F138 HydrophobicContact CZ-CZ 3.64Å; F134-F138 WeakPolarHBondContact O-CD2 3.48Å; N135-F138 PolarHBondContact O-N 3.45Å; C136-F138 PolarHBondContact O-N 3.17Å
139R56.7Low45.9Very low171 Ų17185.8 Ų85.865%0.64545%0.446SS*.  trans-74.3128.8173.6-80-174.4155.3-154.1-3.6109.9C136 R141 L142C136-R139 WeakPolarHBondContact O-CB 3.38Å; C136-R139 PolarHBondContact O-N 2.83Å; R139-R141 PolarHBondContact O-N 3.08Å; R139-L142 PolarHBondContact O-N 2.72Å
140P44.4Very low45Very low112 Ų11292.9 Ų92.973%0.72751%0.51SS*.Hα-helixtrans-54.7-29.7-179-25.431.5000114.3L142 W143P140-L142 VanDerWaalsContact C-N 3.31Å; P140-L142 PolarHBondContact O-N 2.77Å; P140-W143 PolarHBondContact O-N 2.73Å
141R36.6Very low44.5Very low240 Ų24094.4 Ų94.491%0.90652%0.515SS*.Hα-helixtrans-68.2-23.1-179.5-91.9-175.7162.2165.4-4114.4R139R139-R141 PolarHBondContact O-N 3.08Å
142L39Very low44Very low81 Ų8198.3 Ų98.342%0.42453%0.534SS..Hα-helixtrans-86.9-25.4178.4-90.4154.2000112.7C136 R139 P140 A144 A145C136-L142 HydrophobicContact CB-CD1 4.1Å; C136-L142 WeakPolarHBondContact O-CD1 3.23Å; R139-L142 PolarHBondContact O-N 2.72Å; P140-L142 VanDerWaalsContact C-N 3.31Å; P140-L142 PolarHBondContact O-N 2.77Å; L142-A144 PolarHBondContact O-N 2.84Å; L142-A145 PolarHBondContact O-N 2.82Å
143W32.1Very low43.1Very low123 Ų123100.2 Ų100.247%0.46654%0.535SS..Hα-helixtrans-67.5-24.6175.7-74.218000113.1L107 L137 P140 A145 F146L107-W143 HydrophobicContact CD1-CH2 3.67Å; L107-W143 HydrophobicContact CD1-CZ2 3.13Å; L137-W143 PolarHBondContact O-NE1 3.12Å; P140-W143 PolarHBondContact O-N 2.73Å; W143-A145 PolarHBondContact O-N 3.4Å; W143-F146 PolarHBondContact O-N 3.23Å
144A31Very low42.1Very low82 Ų82101.5 Ų101.568%0.67854%0.542SS*.THydrogen-bonded Turntrans-64.7-21.6174.800000113.2L142L142-A144 PolarHBondContact O-N 2.84Å
145A31.3Very low40.8Very low77 Ų77107.9 Ų107.964%0.63658%0.575SS**THydrogen-bonded Turntrans-89.1-14.6-179.400000114L142 W143L142-A145 PolarHBondContact O-N 2.82Å; W143-A145 PolarHBondContact O-N 3.4Å
146F29.4Very low39.4Very low94 Ų94113.9 Ų113.941%0.41261%0.608SS.*  trans-11235.4-178-81.8-82.9000112.5H119 W143 I148H119-F146 WeakPolarHBondContact O-CE1 3.33Å; W143-F146 PolarHBondContact O-N 3.23Å; F146-I148 PolarHBondContact O-N 2.85Å
147R25Very low37.6Very low225 Ų225118.4 Ų118.485%0.84963%0.626SS**  trans-75.492.3170-151.6176.5-175.31790.6107.9P149R147-P149 WeakPolarHBondContact O-CD 3.29Å
148I28.9Very low35.9Very low111 Ų111125.1 Ų125.157%0.56966%0.662SS**  trans-63.6123.1167.3-55175.9000106.2F146F146-I148 PolarHBondContact O-N 2.85Å
149P23.9Very low34Very low116 Ų116134.1 Ų134.175%0.75371%0.711SS**  trans-60.3143.2173.224.9-30.9000109.6R147R147-P149 WeakPolarHBondContact O-CD 3.29Å
150A29.5Very low31.9Very low177 Ų177130.7 Ų130.7100%1.46372%0.717SS**  trans-50.60-169.500000115.1

Retrieved 150 of 150 residues in 49.7 ms (Link to these results)

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