A0A061IJX1_CRIGR Loading...

Pyrroline-5-carboxylate reductase 3

Oxidoreductase that catalyzes the last step in proline biosynthesis, which corresponds to the reduction of pyrroline-5-carboxylate (P5C) to L-proline using NAD(P)H. Proline is synthesized from either glutamate or ornithine; both are converted to P5C, and then to proline via pyrroline-5-carboxylate reductases (PYCRs). PYCR3 is exclusively linked to the biosynthesis of proline from ornithine.

AlphaFold DB , UniProt , Accession A0A061IJX1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pycr3, Length 274 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
1M32.2Very low56.9Low240 Ų240107.3 Ų107.3100%1.18266%0.662SS**  0107.80-85.1168.94800107.4A3M1-A3 PolarHBondContact O-N 2.85Å
2A30.6Very low60.3Low107 Ų10798.3 Ų98.388%0.88461%0.607SS**PPolyproline II helixtrans-66.5121.5175.600000108.5
3A33.6Very low63.3Low97 Ų9790.8 Ų90.880%0.80256%0.56SS**PPolyproline II helixtrans-66.4136.5172.100000109M1M1-A3 PolarHBondContact O-N 2.85Å
4A33.5Very low65.8Low100 Ų10084.3 Ų84.383%0.82652%0.52SS*.PPolyproline II helixtrans-51141.7177.300000111.6S6A4-S6 PolarHBondContact O-N 3.1Å
5G37.9Very low67.9Low80 Ų8079.5 Ų79.583%0.82549%0.494SS*.PPolyproline II helixtrans-54.4117.4-166.800000114.4
6S45Very low69.7Low101 Ų10174.8 Ų74.871%0.70647%0.465SS*.PPolyproline II helixtrans-67.2130147.447.50000107.3A4 Q8A4-S6 PolarHBondContact O-N 3.1Å; S6-Q8 PolarHBondContact O-N 2.94Å
7E53.8Low71.2Confident193 Ų19371.8 Ų71.890%0.90245%0.453SS*.PPolyproline II helixtrans-49.5122.2154.5-77.2-176.7152.100106.6L9E7-L9 PolarHBondContact O-N 2.53Å
8Q72.4Confident72.5Confident112 Ų11277.4 Ų77.452%0.52346%0.463SS..  trans-59.8105.3-169.4-88.3-179-800109.7S6 R10 Q37S6-Q8 PolarHBondContact O-N 2.94Å; Q8-R10 PolarHBondContact O-N 2.7Å; Q8-Q37 VanDerWaalsContact CB-NE2 3.33Å; Q8-Q37 VanDerWaalsContact CG-NE2 3.28Å
9L91.1Very high73.7Confident44 Ų4475.6 Ų75.623%0.2345%0.451CS..  trans-50.8122.9177.2178.368.8000109.6E7 V11 L71 L151 L155E7-L9 PolarHBondContact O-N 2.53Å; L9-V11 HydrophobicContact CD2-CG2 4.43Å; L9-V11 HydrophobicContact CG-CG2 4.33Å; L9-L71 HydrophobicContact CD1-CB 4.2Å; L9-L151 HydrophobicContact CD1-CD2 4.45Å; L9-L151 HydrophobicContact CD2-CD1 4.14Å; L9-L155 HydrophobicContact CD2-CD1 3.91Å; L9-L155 HydrophobicContact CD2-CD2 4.29Å
10R97.1Very high74.9Confident106 Ų10671.9 Ų71.940%0.443%0.428SS..  trans-110.2127176.1-72.4-175.9176.2-164.4-0.7109.8Q8 Q37 N68 C69 S70 L71Q8-R10 PolarHBondContact O-N 2.7Å; R10-Q37 WeakPolarHBondContact CA-O 3.48Å; R10-Q37 HydrophobicContact CG-CB 4.47Å; R10-N68 WeakPolarHBondContact CD-O 3.46Å; R10-C69 HydrophobicContact CB-CB 4.26Å; R10-C69 WeakPolarHBondContact O-CB 3.26Å; R10-S70 PolarHBondContact O-N 3.24Å; R10-S70 VanDerWaalsContact O-N 3.16Å; R10-L71 PolarHBondContact O-N 3.07Å
11V98.4Very high75.9Confident0 Ų070.7 Ų70.70%042%0.418CS..EExtended strand (participates in β ladder)trans-107.1119-175-174.50000109.5L9 F13 L27 V33 Q37 V38 L39 L71 I73L9-V11 HydrophobicContact CD2-CG2 4.43Å; L9-V11 HydrophobicContact CG-CG2 4.33Å; V11-F13 HydrophobicContact CG1-CD2 4.37Å; V11-F13 HydrophobicContact CG1-CE2 3.74Å; V11-F13 HydrophobicContact CG1-CZ 4.11Å; V11-L27 HydrophobicContact CG1-CD1 4.44Å; V11-V33 HydrophobicContact CG2-CG1 3.88Å; V11-Q37 PolarHBondContact N-O 3.2Å; V11-V38 WeakPolarHBondContact O-CA 3.33Å; V11-L39 PolarHBondContact O-N 3.3Å; V11-L71 CarbonylContact C-O 3.58Å; V11-L71 WeakPolarHBondContact CA-O 3.37Å; V11-L71 HydrophobicContact CG1-CD2 4.31Å; V11-L71 HydrophobicContact CG2-CD2 4.12Å; V11-I73 HydrophobicContact CG1-CD1 3.96Å; V11-I73 HydrophobicContact CG1-CG1 4.5Å
12G98.5Very high79Confident0 Ų059.4 Ų59.40%036%0.363CS..EExtended strand (participates in β ladder)trans-97.6137.3177.500000111.2L39 L71 I73G12-L39 CarbonylContact C-O 3.42Å; G12-L39 VanDerWaalsContact CA-O 3.32Å; G12-L39 WeakPolarHBondContact CA-O 2.96Å; G12-L71 PolarHBondContact N-O 3.07Å; G12-I73 PolarHBondContact O-N 2.8Å
13F98.6Very high82.2Confident0 Ų054.4 Ų54.40%032%0.321CS..EExtended strand (participates in β ladder)trans-115.1116169.3-70.1-91000109.7V11 A20 I23 A24 V38 L39 A40 S41 F51 I73V11-F13 HydrophobicContact CG1-CD2 4.37Å; V11-F13 HydrophobicContact CG1-CE2 3.74Å; V11-F13 HydrophobicContact CG1-CZ 4.11Å; F13-A20 HydrophobicContact CB-CB 4.5Å; F13-A20 HydrophobicContact CD1-CB 3.68Å; F13-A20 HydrophobicContact CE1-CB 4.27Å; F13-A20 HydrophobicContact CG-CB 4.34Å; F13-I23 HydrophobicContact CE1-CB 4.08Å; F13-I23 HydrophobicContact CE1-CG2 4.03Å; F13-I23 HydrophobicContact CZ-CB 4.28Å; F13-I23 HydrophobicContact CZ-CG2 3.95Å; F13-A24 HydrophobicContact CD2-CB 4.48Å; F13-A24 HydrophobicContact CE2-CB 3.73Å; F13-A24 HydrophobicContact CZ-CB 3.78Å; F13-V38 HydrophobicContact CD2-CG1 3.71Å; F13-V38 HydrophobicContact CE2-CG1 3.67Å; F13-L39 PolarHBondContact N-O 3.49Å; F13-A40 HydrophobicContact CB-CB 4.02Å; F13-A40 CarbonylContact O-C 3.52Å; F13-A40 WeakPolarHBondContact O-CA 3.39Å; F13-S41 PolarHBondContact O-N 3.21Å; F13-S41 PolarHBondContact O-OG 2.95Å; F13-F51 HydrophobicContact CB-CE1 4.44Å; F13-F51 HydrophobicContact CB-CZ 4.49Å; F13-F51 AromaticContact CD2-CE1 3.93Å; F13-F51 HydrophobicContact CD2-CE1 3.93Å; F13-F51 HydrophobicContact CE2-CE1 4.4Å; F13-F51 HydrophobicContact CG-CE1 4.16Å; F13-F51 HydrophobicContact CG-CZ 4.34Å; F13-I73 WeakPolarHBondContact CA-O 3.47Å; F13-I73 HydrophobicContact CD1-CB 3.85Å; F13-I73 HydrophobicContact CD1-CD1 4.32Å; F13-I73 HydrophobicContact CD1-CG2 4.04Å; F13-I73 HydrophobicContact CE1-CB 3.96Å; F13-I73 HydrophobicContact CE1-CD1 3.58Å; F13-I73 HydrophobicContact CE1-CG1 4.33Å; F13-I73 HydrophobicContact CE1-CG2 4.05Å; F13-I73 HydrophobicContact CZ-CD1 3.76Å
14V98.4Very high85.3Confident0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-92.2103.9168.51780000107.7N62 V65 L66 I72 I73 F74 A75 T76 V84V14-N62 HydrophobicContact CG1-CB 4.27Å; V14-V65 HydrophobicContact CG2-CB 4.31Å; V14-V65 HydrophobicContact CG2-CG1 4.18Å; V14-L66 HydrophobicContact CG2-CD1 4.13Å; V14-I72 HydrophobicContact CG2-CG2 3.89Å; V14-I73 PolarHBondContact N-O 3.2Å; V14-F74 HydrophobicContact CB-CD1 3.72Å; V14-F74 HydrophobicContact CB-CE1 3.93Å; V14-F74 HydrophobicContact CB-CG 4.36Å; V14-F74 HydrophobicContact CG1-CD1 3.78Å; V14-F74 HydrophobicContact CG1-CE1 3.91Å; V14-F74 HydrophobicContact CG2-CD1 4.23Å; V14-F74 HydrophobicContact CG2-CE1 3.95Å; V14-F74 HydrophobicContact CG2-CZ 4.37Å; V14-A75 PolarHBondContact O-N 3.03Å; V14-T76 HydrophobicContact CG1-CG2 4.19Å; V14-T76 WeakPolarHBondContact O-CG2 3.39Å; V14-V84 HydrophobicContact CG1-CG1 3.45Å; V14-V84 VanDerWaalsContact CG1-CG1 3.45Å
15G97.3Very high88.3Confident12 Ų1246.7 Ų46.712%0.12425%0.252CS..SBendtrans97.6115.3-168.800000112.3G17 A20 S41G15-G17 VanDerWaalsContact C-N 3.35Å; G15-G17 PolarHBondContact O-N 3.45Å; G15-A20 WeakPolarHBondContact O-CB 3.4Å; G15-S41 CarbonylContact C-O 3.54Å; G15-S41 VanDerWaalsContact CA-O 3.26Å; G15-S41 WeakPolarHBondContact CA-O 3.25Å; G15-S41 PolarHBondContact N-O 3.1Å
16A96.8Very high91.2Very high5 Ų543 Ų434%0.04121%0.213CC..  trans-93.545.6178.500000112.7S41 A42 N47 L48 F51A16-S41 PolarHBondContact N-O 3.19Å; A16-A42 HydrophobicContact CB-CB 3.89Å; A16-N47 HydrophobicContact CB-CB 4.07Å; A16-N47 WeakPolarHBondContact O-CB 3.15Å; A16-N47 PolarHBondContact O-ND2 3.2Å; A16-L48 HydrophobicContact CB-CD2 3.81Å; A16-F51 HydrophobicContact CB-CD2 3.84Å; A16-F51 HydrophobicContact CB-CE2 3.63Å; A16-F51 HydrophobicContact CB-CZ 4.48Å
17G94.9Very high93.7Very high24 Ų2438.2 Ų38.225%0.24718%0.18CC..  trans-73.8177.7178.500000113.6G15 M19 A20 E21G15-G17 VanDerWaalsContact C-N 3.35Å; G15-G17 PolarHBondContact O-N 3.45Å; G17-M19 PolarHBondContact O-N 3.31Å; G17-A20 WeakPolarHBondContact O-CB 3.36Å; G17-A20 PolarHBondContact O-N 2.93Å; G17-A20 VanDerWaalsContact O-N 3.11Å; G17-E21 PolarHBondContact O-N 2.94Å
18R94.3Very high95.8Very high172 Ų17230.8 Ų30.865%0.64915%0.146SC*.Hα-helixtrans-56-36.5176.5-68.6-177.568.4175.11113.5A22R18-A22 WeakPolarHBondContact O-CB 3.3Å; R18-A22 PolarHBondContact O-N 2.95Å
19M95.7Very high96.9Very high44 Ų4433.7 Ų33.722%0.21715%0.152CC..Hα-helixtrans-71.5-40.5178.2-171.954.466.800111.7G17 E21 A22 I23 V101 P125 N126 C129G17-M19 PolarHBondContact O-N 3.31Å; M19-E21 VanDerWaalsContact C-N 3.33Å; M19-E21 PolarHBondContact O-N 3.41Å; M19-A22 PolarHBondContact O-N 2.96Å; M19-I23 HydrophobicContact CG-CD1 4.09Å; M19-I23 WeakPolarHBondContact O-CG1 3.44Å; M19-I23 PolarHBondContact O-N 3.11Å; M19-I23 HydrophobicContact SD-CD1 4.36Å; M19-I23 HydrophobicContact SD-CG1 4.4Å; M19-V101 HydrophobicContact CG-CG2 4.44Å; M19-P125 HydrophobicContact CE-CB 3.96Å; M19-P125 HydrophobicContact CE-CG 3.86Å; M19-P125 HydrophobicContact CG-CB 4.49Å; M19-P125 HydrophobicContact CG-CG 3.75Å; M19-P125 HydrophobicContact SD-CB 3.71Å; M19-P125 HydrophobicContact SD-CG 3.62Å; M19-N126 WeakPolarHBondContact CE-O 3.45Å; M19-C129 HydrophobicContact CE-CB 4.43Å; M19-C129 HydrophobicContact SD-CB 3.96Å
20A97.3Very high97.2Very high0 Ų034.1 Ų34.10%016%0.162CC..Hα-helixtrans-60.2-45.8174.200000111.1F13 G15 G17 I23 A24 F51 A75F13-A20 HydrophobicContact CB-CB 4.5Å; F13-A20 HydrophobicContact CD1-CB 3.68Å; F13-A20 HydrophobicContact CE1-CB 4.27Å; F13-A20 HydrophobicContact CG-CB 4.34Å; G15-A20 WeakPolarHBondContact O-CB 3.4Å; G17-A20 WeakPolarHBondContact O-CB 3.36Å; G17-A20 PolarHBondContact O-N 2.93Å; G17-A20 VanDerWaalsContact O-N 3.11Å; A20-I23 PolarHBondContact O-N 3.33Å; A20-A24 WeakPolarHBondContact O-CB 3.24Å; A20-A24 PolarHBondContact O-N 2.92Å; A20-F51 HydrophobicContact CB-CE2 4.3Å; A20-F51 HydrophobicContact CB-CZ 3.77Å; A20-A75 HydrophobicContact CB-CB 3.69Å
21E96.8Very high97.1Very high47 Ų4732.2 Ų32.222%0.2218%0.175CC..Hα-helixtrans-60.1-46175.9-177.2-170.5171.900111.6G17 M19 I23 A24 Q25 H50 F51G17-E21 PolarHBondContact O-N 2.94Å; M19-E21 VanDerWaalsContact C-N 3.33Å; M19-E21 PolarHBondContact O-N 3.41Å; E21-I23 VanDerWaalsContact C-N 3.34Å; E21-I23 PolarHBondContact O-N 3.36Å; E21-A24 PolarHBondContact O-N 3.43Å; E21-Q25 WeakPolarHBondContact O-CB 3.4Å; E21-Q25 PolarHBondContact O-N 3.33Å; E21-H50 HydrophobicContact CG-CB 4.16Å; E21-H50 IonicContact OE1-CG 3.82Å; E21-H50 IonicContact OE1-ND1 3.86Å; E21-H50 IonicContact OE2-CD2 2.74Å; E21-H50 IonicContact OE2-CG 3.76Å; E21-F51 HydrophobicContact CB-CE2 4.14Å
22A97.2Very high96.9Very high4 Ų436.7 Ų36.73%0.03320%0.195CC..Hα-helixtrans-59.1-45.417900000112.1R18 M19 G26 C129 I130 Q132R18-A22 WeakPolarHBondContact O-CB 3.3Å; R18-A22 PolarHBondContact O-N 2.95Å; M19-A22 PolarHBondContact O-N 2.96Å; A22-G26 PolarHBondContact O-N 3.21Å; A22-C129 HydrophobicContact CB-CB 4.34Å; A22-I130 HydrophobicContact CB-CB 4.46Å; A22-I130 HydrophobicContact CB-CG2 4.01Å; A22-Q132 PolarHBondContact O-NE2 3.33Å; A22-Q132 VanDerWaalsContact O-NE2 3.12Å
23I98.1Very high96.8Very high1 Ų137 Ų371%0.00520%0.197CC..Hα-helixtrans-65.3-53.5177.5-64.3166.9000109.8F13 M19 A20 E21 Q25 G26 L27 I73 V101 L156F13-I23 HydrophobicContact CE1-CB 4.08Å; F13-I23 HydrophobicContact CE1-CG2 4.03Å; F13-I23 HydrophobicContact CZ-CB 4.28Å; F13-I23 HydrophobicContact CZ-CG2 3.95Å; M19-I23 HydrophobicContact CG-CD1 4.09Å; M19-I23 WeakPolarHBondContact O-CG1 3.44Å; M19-I23 PolarHBondContact O-N 3.11Å; M19-I23 HydrophobicContact SD-CD1 4.36Å; M19-I23 HydrophobicContact SD-CG1 4.4Å; A20-I23 PolarHBondContact O-N 3.33Å; E21-I23 VanDerWaalsContact C-N 3.34Å; E21-I23 PolarHBondContact O-N 3.36Å; I23-Q25 VanDerWaalsContact C-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.35Å; I23-G26 PolarHBondContact O-N 3.14Å; I23-L27 HydrophobicContact CG2-CD1 4.07Å; I23-L27 HydrophobicContact CG2-CG 4.2Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.25Å; I23-L27 PolarHBondContact O-N 2.9Å; I23-I73 HydrophobicContact CG2-CD1 4.08Å; I23-V101 HydrophobicContact CD1-CG1 4.15Å; I23-L156 HydrophobicContact CG2-CD2 3.98Å
24A98.1Very high96.8Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-55.1-45.6179.700000112F13 A20 E21 G26 L27 I28 V38 F51F13-A24 HydrophobicContact CD2-CB 4.48Å; F13-A24 HydrophobicContact CE2-CB 3.73Å; F13-A24 HydrophobicContact CZ-CB 3.78Å; A20-A24 WeakPolarHBondContact O-CB 3.24Å; A20-A24 PolarHBondContact O-N 2.92Å; E21-A24 PolarHBondContact O-N 3.43Å; A24-G26 PolarHBondContact O-N 3.21Å; A24-L27 PolarHBondContact O-N 3.26Å; A24-I28 WeakPolarHBondContact O-CB 3.45Å; A24-I28 WeakPolarHBondContact O-CD1 3.13Å; A24-I28 VanDerWaalsContact O-CG1 3.22Å; A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 2.84Å; A24-V38 HydrophobicContact CB-CG1 4.42Å; A24-F51 HydrophobicContact CB-CD1 4.35Å; A24-F51 HydrophobicContact CB-CE1 3.62Å; A24-F51 HydrophobicContact CB-CZ 4.21Å
25Q97.4Very high96.7Very high36 Ų3642.2 Ų42.217%0.16823%0.225CC..Hα-helixtrans-62-42.6176.6179.71747500112.1E21 I23 R29 L54E21-Q25 WeakPolarHBondContact O-CB 3.4Å; E21-Q25 PolarHBondContact O-N 3.33Å; I23-Q25 VanDerWaalsContact C-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.35Å; Q25-R29 VanDerWaalsContact CD-CZ 3.44Å; Q25-R29 HydrophobicContact CG-CG 4.24Å; Q25-R29 VanDerWaalsContact O-CB 3.29Å; Q25-R29 WeakPolarHBondContact O-CB 3.16Å; Q25-R29 VanDerWaalsContact O-CG 3.24Å; Q25-R29 WeakPolarHBondContact O-CG 3.27Å; Q25-R29 PolarHBondContact O-N 3.31Å; Q25-L54 HydrophobicContact CB-CD1 4.06Å; Q25-L54 HydrophobicContact CB-CD2 4.35Å; Q25-L54 HydrophobicContact CG-CD2 4.25Å
26G97.5Very high96.7Very high1 Ų147.1 Ų47.11%0.0124%0.242CC..Hα-helixtrans-59.7-52176.400000111.8A22 I23 A24 I28 R29 A30 Q132 A158A22-G26 PolarHBondContact O-N 3.21Å; I23-G26 PolarHBondContact O-N 3.14Å; A24-G26 PolarHBondContact O-N 3.21Å; G26-I28 VanDerWaalsContact C-N 3.33Å; G26-I28 PolarHBondContact O-N 3.23Å; G26-R29 PolarHBondContact O-N 2.94Å; G26-A30 WeakPolarHBondContact O-CB 3.46Å; G26-A30 PolarHBondContact O-N 3.48Å; G26-Q132 VanDerWaalsContact CA-CD 3.47Å; G26-A158 WeakPolarHBondContact O-CB 3.46Å
27L97.8Very high96.7Very high1 Ų147.9 Ų47.91%0.00525%0.245CC..Hα-helixtrans-57.5-44.7179.3-59.5-177.5000112.2V11 I23 A24 G31 K32 V33 L155 A158V11-L27 HydrophobicContact CG1-CD1 4.44Å; I23-L27 HydrophobicContact CG2-CD1 4.07Å; I23-L27 HydrophobicContact CG2-CG 4.2Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.25Å; I23-L27 PolarHBondContact O-N 2.9Å; A24-L27 PolarHBondContact O-N 3.26Å; L27-G31 PolarHBondContact O-N 3.01Å; L27-K32 WeakPolarHBondContact O-CB 2.97Å; L27-K32 PolarHBondContact O-N 3.02Å; L27-V33 HydrophobicContact CB-CG2 3.61Å; L27-V33 HydrophobicContact CD1-CG2 4.46Å; L27-V33 PolarHBondContact O-N 2.83Å; L27-L155 VanDerWaalsContact CD2-C 3.47Å; L27-L155 HydrophobicContact CD2-CB 3.7Å; L27-L155 HydrophobicContact CD2-CD2 4.21Å; L27-L155 WeakPolarHBondContact CD2-O 3.27Å; L27-A158 HydrophobicContact CD2-CB 4.27Å
28I97.4Very high96.9Very high38 Ų3846.8 Ų46.820%0.19523%0.233CC..Hα-helixtrans-68.1-46.5-179.9-67.2164.1000111.1A24 G26 A30 G31 V33 A35 V38 L54 C56A24-I28 WeakPolarHBondContact O-CB 3.45Å; A24-I28 WeakPolarHBondContact O-CD1 3.13Å; A24-I28 VanDerWaalsContact O-CG1 3.22Å; A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 2.84Å; G26-I28 VanDerWaalsContact C-N 3.33Å; G26-I28 PolarHBondContact O-N 3.23Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.46Å; I28-G31 PolarHBondContact O-N 3.17Å; I28-V33 WeakPolarHBondContact CA-O 3.26Å; I28-V33 HydrophobicContact CG1-CG2 4.04Å; I28-A35 HydrophobicContact CD1-CB 3.93Å; I28-A35 HydrophobicContact CG1-CB 4.45Å; I28-V38 HydrophobicContact CD1-CG2 4.33Å; I28-V38 HydrophobicContact CG1-CG2 4.46Å; I28-L54 HydrophobicContact CD1-CB 4.28Å; I28-C56 VanDerWaalsContact CD1-SG 3.53Å
29R96.7Very high97.1Very high172 Ų17238.8 Ų38.865%0.64920%0.204SC*.Hα-helixtrans-63.9-35.7-179.3-76.9179.7177.1-175.71.5112.7Q25 G26 G31Q25-R29 VanDerWaalsContact CD-CZ 3.44Å; Q25-R29 HydrophobicContact CG-CG 4.24Å; Q25-R29 VanDerWaalsContact O-CB 3.29Å; Q25-R29 WeakPolarHBondContact O-CB 3.16Å; Q25-R29 VanDerWaalsContact O-CG 3.24Å; Q25-R29 WeakPolarHBondContact O-CG 3.27Å; Q25-R29 PolarHBondContact O-N 3.31Å; G26-R29 PolarHBondContact O-N 2.94Å; R29-G31 PolarHBondContact O-N 3.31Å
30A96.3Very high97.2Very high54 Ų5436.7 Ų36.745%0.44619%0.194SC..THydrogen-bonded Turntrans-78-0.917600000113.5G26 I28 K32 A158G26-A30 WeakPolarHBondContact O-CB 3.46Å; G26-A30 PolarHBondContact O-N 3.48Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.46Å; A30-K32 HydrophobicContact CB-CG 3.84Å; A30-K32 PolarHBondContact O-N 2.68Å; A30-A158 HydrophobicContact CB-CB 3.5Å; A30-A158 VanDerWaalsContact CB-CB 3.5Å
31G95.7Very high97.3Very high65 Ų6536.7 Ų36.767%0.6719%0.194SC*.THydrogen-bonded Turntrans66.919.3-178.100000113.7L27 I28 R29L27-G31 PolarHBondContact O-N 3.01Å; I28-G31 PolarHBondContact O-N 3.17Å; R29-G31 PolarHBondContact O-N 3.31Å
32K95.3Very high97.3Very high94 Ų9434.7 Ų34.741%0.40919%0.185SC..SBendtrans-75.4-32.1179.9-62.2-75.1-178.7154.40111.4L27 A30 N154 L155 A158L27-K32 WeakPolarHBondContact O-CB 2.97Å; L27-K32 PolarHBondContact O-N 3.02Å; A30-K32 HydrophobicContact CB-CG 3.84Å; A30-K32 PolarHBondContact O-N 2.68Å; K32-N154 WeakPolarHBondContact CE-O 2.88Å; K32-N154 PolarHBondContact NZ-O 3.2Å; K32-L155 HydrophobicContact CB-CD2 3.93Å; K32-A158 HydrophobicContact CG-CB 4.34Å
33V96.3Very high97.2Very high7 Ų740.4 Ų40.44%0.04222%0.221CC..SBendtrans-142.5148174.3-57.90000109.8V11 L27 I28 V38 L155V11-V33 HydrophobicContact CG2-CG1 3.88Å; L27-V33 HydrophobicContact CB-CG2 3.61Å; L27-V33 HydrophobicContact CD1-CG2 4.46Å; L27-V33 PolarHBondContact O-N 2.83Å; I28-V33 WeakPolarHBondContact CA-O 3.26Å; I28-V33 HydrophobicContact CG1-CG2 4.04Å; V33-V38 HydrophobicContact CG2-CG2 3.79Å; V33-L155 HydrophobicContact CG1-CD2 4.37Å
34E96.9Very high96.9Very high90 Ų9044.1 Ų44.142%0.42124%0.244SC..  trans-80.1146.9169.6-62.4-176.8-155.100110.4K36 Q37E34-K36 HydrophobicContact CB-CG 4.12Å; E34-K36 PolarHBondContact O-N 3.16Å; E34-K36 VanDerWaalsContact O-N 3.14Å; E34-K36 IonicContact OE1-NZ 3.86Å; E34-K36 WeakPolarHBondContact OE2-CD 3.5Å; E34-K36 WeakPolarHBondContact OE2-CE 3.33Å; E34-K36 IonicContact OE2-NZ 2.64Å; E34-K36 PolarHBondContact OE2-NZ 3.37Å; E34-Q37 HydrophobicContact CB-CG 4.16Å; E34-Q37 WeakPolarHBondContact O-CA 3.46Å; E34-Q37 WeakPolarHBondContact O-CB 3.12Å; E34-Q37 PolarHBondContact O-N 3.41Å
35A97.3Very high96.6Very high20 Ų2048 Ų4817%0.16527%0.265CS..G310 helixtrans-55-37.6179.800000113I28 Q37 V38 L54 C56I28-A35 HydrophobicContact CD1-CB 3.93Å; I28-A35 HydrophobicContact CG1-CB 4.45Å; A35-Q37 PolarHBondContact O-N 3.4Å; A35-Q37 VanDerWaalsContact O-N 3.14Å; A35-V38 WeakPolarHBondContact O-CB 3.37Å; A35-V38 PolarHBondContact O-N 2.83Å; A35-L54 WeakPolarHBondContact CB-O 3.41Å; A35-C56 WeakPolarHBondContact O-CA 3.24Å
36K96.8Very high96.4Very high114 Ų11455.9 Ų55.950%0.49629%0.293SS..G310 helixtrans-64.7-15.717773.5-176.2-168.3-143.10114.6E34E34-K36 HydrophobicContact CB-CG 4.12Å; E34-K36 PolarHBondContact O-N 3.16Å; E34-K36 VanDerWaalsContact O-N 3.14Å; E34-K36 IonicContact OE1-NZ 3.86Å; E34-K36 WeakPolarHBondContact OE2-CD 3.5Å; E34-K36 WeakPolarHBondContact OE2-CE 3.33Å; E34-K36 IonicContact OE2-NZ 2.64Å; E34-K36 PolarHBondContact OE2-NZ 3.37Å
37Q97.3Very high96Very high22 Ų2258.7 Ų58.710%0.10331%0.308CS..G310 helixtrans-91.9-2.6176.9-61.6169.8-40.500112.1Q8 R10 V11 E34 A35Q8-Q37 VanDerWaalsContact CB-NE2 3.33Å; Q8-Q37 VanDerWaalsContact CG-NE2 3.28Å; R10-Q37 WeakPolarHBondContact CA-O 3.48Å; R10-Q37 HydrophobicContact CG-CB 4.47Å; V11-Q37 PolarHBondContact N-O 3.2Å; E34-Q37 HydrophobicContact CB-CG 4.16Å; E34-Q37 WeakPolarHBondContact O-CA 3.46Å; E34-Q37 WeakPolarHBondContact O-CB 3.12Å; E34-Q37 PolarHBondContact O-N 3.41Å; A35-Q37 PolarHBondContact O-N 3.4Å; A35-Q37 VanDerWaalsContact O-N 3.14Å
38V98.4Very high95.9Very high0 Ų058.7 Ų58.70%031%0.308CS..EExtended strand (participates in β ladder)trans-101.9127.8177.5179.30000109.6V11 F13 A24 I28 V33 A35 F51 C56 Q57V11-V38 WeakPolarHBondContact O-CA 3.33Å; F13-V38 HydrophobicContact CD2-CG1 3.71Å; F13-V38 HydrophobicContact CE2-CG1 3.67Å; A24-V38 HydrophobicContact CB-CG1 4.42Å; I28-V38 HydrophobicContact CD1-CG2 4.33Å; I28-V38 HydrophobicContact CG1-CG2 4.46Å; V33-V38 HydrophobicContact CG2-CG2 3.79Å; A35-V38 WeakPolarHBondContact O-CB 3.37Å; A35-V38 PolarHBondContact O-N 2.83Å; V38-F51 HydrophobicContact CG1-CD1 4.36Å; V38-F51 HydrophobicContact CG1-CE1 4.36Å; V38-C56 HydrophobicContact CB-CB 4.09Å; V38-C56 HydrophobicContact CG1-CB 4.1Å; V38-Q57 PolarHBondContact O-N 2.85Å
39L98.6Very high95.8Very high5 Ų559.7 Ų59.73%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-124.3124.4174.7177.459.6000109.7V11 G12 F13 Q57 T59 E64 V65 N68V11-L39 PolarHBondContact O-N 3.3Å; G12-L39 CarbonylContact C-O 3.42Å; G12-L39 VanDerWaalsContact CA-O 3.32Å; G12-L39 WeakPolarHBondContact CA-O 2.96Å; F13-L39 PolarHBondContact N-O 3.49Å; L39-Q57 WeakPolarHBondContact CA-O 3.46Å; L39-Q57 HydrophobicContact CB-CB 4.45Å; L39-Q57 HydrophobicContact CD1-CB 3.66Å; L39-T59 HydrophobicContact CD1-CG2 3.98Å; L39-T59 HydrophobicContact CG-CG2 4.3Å; L39-E64 HydrophobicContact CD2-CG 4.47Å; L39-V65 HydrophobicContact CD2-CG2 4.46Å; L39-V65 HydrophobicContact CG-CG2 4.24Å; L39-N68 HydrophobicContact CD2-CB 3.93Å
40A98.6Very high95.7Very high0 Ų055.5 Ų55.50%031%0.305CS..EExtended strand (participates in β ladder)trans-118.7136.1-18000000112.6F13 L48 F51 Q57 T58 T59F13-A40 HydrophobicContact CB-CB 4.02Å; F13-A40 CarbonylContact O-C 3.52Å; F13-A40 WeakPolarHBondContact O-CA 3.39Å; A40-L48 HydrophobicContact CB-CD2 4.46Å; A40-F51 HydrophobicContact CB-CB 4.35Å; A40-F51 HydrophobicContact CB-CD1 3.39Å; A40-F51 HydrophobicContact CB-CD2 4.17Å; A40-F51 HydrophobicContact CB-CE1 3.56Å; A40-F51 HydrophobicContact CB-CE2 4.32Å; A40-F51 HydrophobicContact CB-CG 3.7Å; A40-F51 HydrophobicContact CB-CZ 4.02Å; A40-Q57 PolarHBondContact N-O 2.84Å; A40-T58 CarbonylContact O-C 3.31Å; A40-T58 VanDerWaalsContact O-CA 3.24Å; A40-T58 WeakPolarHBondContact O-CA 3.48Å; A40-T59 PolarHBondContact O-N 3.17Å
41S98.4Very high95.8Very high0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-105.9145171.769.50000113.1F13 G15 A16 T59 N62F13-S41 PolarHBondContact O-N 3.21Å; F13-S41 PolarHBondContact O-OG 2.95Å; G15-S41 CarbonylContact C-O 3.54Å; G15-S41 VanDerWaalsContact CA-O 3.26Å; G15-S41 WeakPolarHBondContact CA-O 3.25Å; G15-S41 PolarHBondContact N-O 3.1Å; A16-S41 PolarHBondContact N-O 3.19Å; S41-T59 VanDerWaalsContact CA-O 3.27Å; S41-T59 WeakPolarHBondContact CA-O 3.39Å; S41-N62 WeakPolarHBondContact CB-OD1 3.32Å; S41-N62 PolarHBondContact OG-OD1 3.44Å
42A97.4Very high95.8Very high5 Ų554.8 Ų54.84%0.04127%0.271CS..  trans-156.8154.6167.100000110.5A16 T44 L48 T59 H60A16-A42 HydrophobicContact CB-CB 3.89Å; A42-T44 PolarHBondContact O-N 2.98Å; A42-L48 HydrophobicContact CB-CD1 4.42Å; A42-L48 HydrophobicContact CB-CD2 3.8Å; A42-L48 HydrophobicContact CB-CG 3.94Å; A42-T59 PolarHBondContact N-O 3.36Å; A42-H60 PolarHBondContact O-ND1 3.47Å
43P94.3Very high95.9Very high123 Ų12354.6 Ų54.680%0.79929%0.287SS*.SBendtrans-68.6-16.5179.827.4-36000113.8
44T92.7Very high95.9Very high79 Ų7956.2 Ų56.249%0.48530%0.295SS..SBendtrans-141.3156.2-179.6680000111.1A42 R46A42-T44 PolarHBondContact O-N 2.98Å; T44-R46 PolarHBondContact O-N 3.14Å
45D92.6Very high95.9Very high81 Ų8154.2 Ų54.243%0.43330%0.298SS..Hα-helixtrans-68.1-14.7178.4-84-34.8000114.9N47 L48 C49 R52 H60D45-N47 PolarHBondContact O-N 2.64Å; D45-L48 PolarHBondContact O-N 2.88Å; D45-C49 PolarHBondContact O-N 3.17Å; D45-R52 IonicContact OD1-CZ 3.22Å; D45-R52 VanDerWaalsContact OD1-CZ 3.22Å; D45-R52 IonicContact OD1-NH1 2.85Å; D45-R52 PolarHBondContact OD1-NH1 3.47Å; D45-R52 IonicContact OD1-NH2 2.7Å; D45-R52 PolarHBondContact OD1-NH2 3.32Å; D45-R52 IonicContact OD2-NH1 3.94Å; D45-H60 IonicContact OD1-CE1 3.59Å; D45-H60 IonicContact OD1-NE2 3.64Å
46R91.6Very high95.9Very high203 Ų20353.7 Ų53.777%0.76629%0.293SS*.Hα-helixtrans-50.4-41-173-179.8-179.5174.7178.60.9112.8T44 C49T44-R46 PolarHBondContact O-N 3.14Å; R46-C49 PolarHBondContact O-SG 2.98Å
47N90.2Very high96Very high60 Ų6053 Ų5332%0.32129%0.292SS..Hα-helixtrans-102.8-17.9179.5-51.9-23.5000113.2A16 D45 C49 H50A16-N47 HydrophobicContact CB-CB 4.07Å; A16-N47 WeakPolarHBondContact O-CB 3.15Å; A16-N47 PolarHBondContact O-ND2 3.2Å; D45-N47 PolarHBondContact O-N 2.64Å; N47-C49 PolarHBondContact O-N 3.01Å; N47-H50 PolarHBondContact O-N 2.81Å
48L96.1Very high96Very high0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-66.9-25.6177.5-65.7179.3000112A16 A40 A42 D45 H50 F51 R52 T58A16-L48 HydrophobicContact CB-CD2 3.81Å; A40-L48 HydrophobicContact CB-CD2 4.46Å; A42-L48 HydrophobicContact CB-CD1 4.42Å; A42-L48 HydrophobicContact CB-CD2 3.8Å; A42-L48 HydrophobicContact CB-CG 3.94Å; D45-L48 PolarHBondContact O-N 2.88Å; L48-H50 PolarHBondContact O-N 3.05Å; L48-F51 PolarHBondContact O-N 3.14Å; L48-F51 VanDerWaalsContact O-N 3.14Å; L48-R52 WeakPolarHBondContact O-CG 3.37Å; L48-R52 PolarHBondContact O-N 2.78Å; L48-T58 HydrophobicContact CB-CG2 4.04Å; L48-T58 HydrophobicContact CD2-CG2 3.98Å; L48-T58 HydrophobicContact CG-CG2 4.48Å
49C94.8Very high96Very high60 Ų6054.4 Ų54.441%0.40530%0.302SS..Hα-helixtrans-57-35175.9670000112.8D45 R46 N47 R52 A53D45-C49 PolarHBondContact O-N 3.17Å; R46-C49 PolarHBondContact O-SG 2.98Å; N47-C49 PolarHBondContact O-N 3.01Å; C49-R52 PolarHBondContact O-N 3.49Å; C49-A53 WeakPolarHBondContact O-CB 3.24Å; C49-A53 PolarHBondContact O-N 2.88Å
50H94.4Very high96Very high83 Ų8359 Ų5938%0.38432%0.323SS..Hα-helixtrans-67.4-41.6177.2-62.3-64000111.8E21 N47 L48 A53 L54E21-H50 HydrophobicContact CG-CB 4.16Å; E21-H50 IonicContact OE1-CG 3.82Å; E21-H50 IonicContact OE1-ND1 3.86Å; E21-H50 IonicContact OE2-CD2 2.74Å; E21-H50 IonicContact OE2-CG 3.76Å; N47-H50 PolarHBondContact O-N 2.81Å; L48-H50 PolarHBondContact O-N 3.05Å; H50-A53 PolarHBondContact O-N 3.26Å; H50-L54 WeakPolarHBondContact O-CG 3.32Å; H50-L54 PolarHBondContact O-N 3.46Å; H50-L54 VanDerWaalsContact O-N 3.17Å
51F97.7Very high96Very high0 Ų061 Ų610%034%0.337CS..Hα-helixtrans-65.6-42.2174.7-80.8-97.5000112F13 A16 A20 E21 A24 V38 A40 L48 A53 L54 G55 C56 T58F13-F51 HydrophobicContact CB-CE1 4.44Å; F13-F51 HydrophobicContact CB-CZ 4.49Å; F13-F51 AromaticContact CD2-CE1 3.93Å; F13-F51 HydrophobicContact CD2-CE1 3.93Å; F13-F51 HydrophobicContact CE2-CE1 4.4Å; F13-F51 HydrophobicContact CG-CE1 4.16Å; F13-F51 HydrophobicContact CG-CZ 4.34Å; A16-F51 HydrophobicContact CB-CD2 3.84Å; A16-F51 HydrophobicContact CB-CE2 3.63Å; A16-F51 HydrophobicContact CB-CZ 4.48Å; A20-F51 HydrophobicContact CB-CE2 4.3Å; A20-F51 HydrophobicContact CB-CZ 3.77Å; E21-F51 HydrophobicContact CB-CE2 4.14Å; A24-F51 HydrophobicContact CB-CD1 4.35Å; A24-F51 HydrophobicContact CB-CE1 3.62Å; A24-F51 HydrophobicContact CB-CZ 4.21Å; V38-F51 HydrophobicContact CG1-CD1 4.36Å; V38-F51 HydrophobicContact CG1-CE1 4.36Å; A40-F51 HydrophobicContact CB-CB 4.35Å; A40-F51 HydrophobicContact CB-CD1 3.39Å; A40-F51 HydrophobicContact CB-CD2 4.17Å; A40-F51 HydrophobicContact CB-CE1 3.56Å; A40-F51 HydrophobicContact CB-CE2 4.32Å; A40-F51 HydrophobicContact CB-CG 3.7Å; A40-F51 HydrophobicContact CB-CZ 4.02Å; L48-F51 PolarHBondContact O-N 3.14Å; L48-F51 VanDerWaalsContact O-N 3.14Å; F51-A53 VanDerWaalsContact C-N 3.3Å; F51-A53 PolarHBondContact O-N 3.5Å; F51-L54 WeakPolarHBondContact O-CB 3.42Å; F51-L54 PolarHBondContact O-N 3.05Å; F51-L54 VanDerWaalsContact O-N 3.11Å; F51-G55 PolarHBondContact O-N 2.9Å; F51-C56 HydrophobicContact CB-CB 4.12Å; F51-C56 HydrophobicContact CD1-CB 4.15Å; F51-C56 VanDerWaalsContact O-CB 3.3Å; F51-C56 WeakPolarHBondContact O-CB 3.44Å; F51-C56 PolarHBondContact O-N 3.23Å; F51-T58 HydrophobicContact CB-CG2 3.79Å
52R97.3Very high96Very high105 Ų10562 Ų6240%0.39634%0.343SS..Hα-helixtrans-61.8-38.8174.6-67.4173.9-169.7141.75.2111.9D45 L48 C49 L54 G55 T58D45-R52 IonicContact OD1-CZ 3.22Å; D45-R52 VanDerWaalsContact OD1-CZ 3.22Å; D45-R52 IonicContact OD1-NH1 2.85Å; D45-R52 PolarHBondContact OD1-NH1 3.47Å; D45-R52 IonicContact OD1-NH2 2.7Å; D45-R52 PolarHBondContact OD1-NH2 3.32Å; D45-R52 IonicContact OD2-NH1 3.94Å; L48-R52 WeakPolarHBondContact O-CG 3.37Å; L48-R52 PolarHBondContact O-N 2.78Å; C49-R52 PolarHBondContact O-N 3.49Å; R52-L54 PolarHBondContact O-N 2.93Å; R52-G55 WeakPolarHBondContact O-CA 3.28Å; R52-G55 PolarHBondContact O-N 2.97Å; R52-T58 HydrophobicContact CG-CG2 3.76Å; R52-T58 PolarHBondContact NE-OG1 3.34Å; R52-T58 PolarHBondContact NH2-OG1 3.26Å; R52-T58 VanDerWaalsContact NH2-OG1 3.1Å
53A96.1Very high96Very high89 Ų8965.1 Ų65.174%0.73636%0.356SS*.Hα-helixtrans-65.2-26.617600000113C49 H50 F51 G55C49-A53 WeakPolarHBondContact O-CB 3.24Å; C49-A53 PolarHBondContact O-N 2.88Å; H50-A53 PolarHBondContact O-N 3.26Å; F51-A53 VanDerWaalsContact C-N 3.3Å; F51-A53 PolarHBondContact O-N 3.5Å; A53-G55 VanDerWaalsContact C-N 3.27Å
54L95.9Very high96.2Very high42 Ų4263 Ų6322%0.2234%0.336CS..THydrogen-bonded Turntrans-78.8-7.9170.2-65.5174.2000113.2Q25 I28 A35 H50 F51 R52Q25-L54 HydrophobicContact CB-CD1 4.06Å; Q25-L54 HydrophobicContact CB-CD2 4.35Å; Q25-L54 HydrophobicContact CG-CD2 4.25Å; I28-L54 HydrophobicContact CD1-CB 4.28Å; A35-L54 WeakPolarHBondContact CB-O 3.41Å; H50-L54 WeakPolarHBondContact O-CG 3.32Å; H50-L54 PolarHBondContact O-N 3.46Å; H50-L54 VanDerWaalsContact O-N 3.17Å; F51-L54 WeakPolarHBondContact O-CB 3.42Å; F51-L54 PolarHBondContact O-N 3.05Å; F51-L54 VanDerWaalsContact O-N 3.11Å; R52-L54 PolarHBondContact O-N 2.93Å
55G97.2Very high96.4Very high47 Ų4759.2 Ų59.249%0.48531%0.313SS..THydrogen-bonded Turntrans85.213.8-174.500000114.2F51 R52 A53F51-G55 PolarHBondContact O-N 2.9Å; R52-G55 WeakPolarHBondContact O-CA 3.28Å; R52-G55 PolarHBondContact O-N 2.97Å; A53-G55 VanDerWaalsContact C-N 3.27Å
56C98.1Very high96.7Very high10 Ų1055.5 Ų55.57%0.06829%0.293CS..  trans-80156.5179.6-52.80000112.2I28 A35 V38 F51I28-C56 VanDerWaalsContact CD1-SG 3.53Å; A35-C56 WeakPolarHBondContact O-CA 3.24Å; V38-C56 HydrophobicContact CB-CB 4.09Å; V38-C56 HydrophobicContact CG1-CB 4.1Å; F51-C56 HydrophobicContact CB-CB 4.12Å; F51-C56 HydrophobicContact CD1-CB 4.15Å; F51-C56 VanDerWaalsContact O-CB 3.3Å; F51-C56 WeakPolarHBondContact O-CB 3.44Å; F51-C56 PolarHBondContact O-N 3.23Å
57Q98.1Very high96.9Very high100 Ų10052 Ų5247%0.46729%0.285SS..EExtended strand (participates in β ladder)trans-77.8150.8168.7-61.2-176.4-20.500110.1V38 L39 A40V38-Q57 PolarHBondContact O-N 2.85Å; L39-Q57 WeakPolarHBondContact CA-O 3.46Å; L39-Q57 HydrophobicContact CB-CB 4.45Å; L39-Q57 HydrophobicContact CD1-CB 3.66Å; A40-Q57 PolarHBondContact N-O 2.84Å
58T98.4Very high97.2Very high35 Ų3552.1 Ų52.122%0.21529%0.285CS..EExtended strand (participates in β ladder)trans-140.8145.5-178.3620000111.3A40 L48 F51 R52A40-T58 CarbonylContact O-C 3.31Å; A40-T58 VanDerWaalsContact O-CA 3.24Å; A40-T58 WeakPolarHBondContact O-CA 3.48Å; L48-T58 HydrophobicContact CB-CG2 4.04Å; L48-T58 HydrophobicContact CD2-CG2 3.98Å; L48-T58 HydrophobicContact CG-CG2 4.48Å; F51-T58 HydrophobicContact CB-CG2 3.79Å; R52-T58 HydrophobicContact CG-CG2 3.76Å; R52-T58 PolarHBondContact NE-OG1 3.34Å; R52-T58 PolarHBondContact NH2-OG1 3.26Å; R52-T58 VanDerWaalsContact NH2-OG1 3.1Å
59T98.4Very high97.3Very high15 Ų1552.6 Ų52.69%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-140.1169.1176.2-179.90000111.1L39 A40 S41 A42 S61 E64 V65L39-T59 HydrophobicContact CD1-CG2 3.98Å; L39-T59 HydrophobicContact CG-CG2 4.3Å; A40-T59 PolarHBondContact O-N 3.17Å; S41-T59 VanDerWaalsContact CA-O 3.27Å; S41-T59 WeakPolarHBondContact CA-O 3.39Å; A42-T59 PolarHBondContact N-O 3.36Å; T59-S61 VanDerWaalsContact CG2-O 3.25Å; T59-S61 WeakPolarHBondContact CG2-O 3.22Å; T59-S61 PolarHBondContact OG1-N 3.39Å; T59-E64 VanDerWaalsContact CB-OE2 3.26Å; T59-E64 WeakPolarHBondContact CB-OE2 3.18Å; T59-E64 HydrophobicContact CG2-CB 4.29Å; T59-E64 PolarHBondContact OG1-OE2 3.07Å; T59-V65 HydrophobicContact CG2-CG2 3.84Å
60H97.9Very high97.4Very high102 Ų10252 Ų5247%0.47229%0.285SS..SBendtrans-100.9-2.8166.7-64.4-61.5000112.7A42 D45A42-H60 PolarHBondContact O-ND1 3.47Å; D45-H60 IonicContact OD1-CE1 3.59Å; D45-H60 IonicContact OD1-NE2 3.64Å
61S98.1Very high97.6Very high42 Ų4248.1 Ų48.129%0.29427%0.267SS..  trans-101.7121.6-179.11760000111.4T59 Q63 E64T59-S61 VanDerWaalsContact CG2-O 3.25Å; T59-S61 WeakPolarHBondContact CG2-O 3.22Å; T59-S61 PolarHBondContact OG1-N 3.39Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact OG-N 3.21Å; S61-E64 PolarHBondContact OG-N 3.31Å
62N98.2Very high97.6Very high22 Ų2248.1 Ų48.112%0.11827%0.267CS..Hα-helixtrans-67.8-36.9173.9-62.5-33000111V14 S41 E64 V65 L66 E87 V88V14-N62 HydrophobicContact CG1-CB 4.27Å; S41-N62 WeakPolarHBondContact CB-OD1 3.32Å; S41-N62 PolarHBondContact OG-OD1 3.44Å; N62-E64 VanDerWaalsContact C-N 3.32Å; N62-E64 PolarHBondContact O-N 3.4Å; N62-V65 VanDerWaalsContact O-CB 3.32Å; N62-V65 WeakPolarHBondContact O-CB 3.33Å; N62-V65 PolarHBondContact O-N 3.24Å; N62-V65 VanDerWaalsContact O-N 3.16Å; N62-L66 WeakPolarHBondContact O-CD1 3.46Å; N62-L66 PolarHBondContact O-N 2.86Å; N62-E87 PolarHBondContact ND2-OE2 3.45Å; N62-V88 HydrophobicContact CB-CG1 3.56Å
63Q97.8Very high97.7Very high70 Ų7043.2 Ų43.233%0.32725%0.249SC..Hα-helixtrans-64.1-35.7178.8-65-178.4-000112.6S61 V65 L66 Q67 E87 V91S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact OG-N 3.21Å; Q63-V65 PolarHBondContact O-N 3.31Å; Q63-L66 PolarHBondContact O-N 3.24Å; Q63-Q67 VanDerWaalsContact O-CG 3.27Å; Q63-Q67 WeakPolarHBondContact O-CG 3.43Å; Q63-Q67 PolarHBondContact O-N 3.39Å; Q63-E87 PolarHBondContact NE2-O 3.17Å; Q63-E87 VanDerWaalsContact NE2-O 3.1Å; Q63-V91 HydrophobicContact CB-CG2 4.27Å; Q63-V91 HydrophobicContact CG-CG2 4.2Å
64E97.9Very high97.8Very high78 Ų7839 Ų3936%0.36421%0.214SC..Hα-helixtrans-63.1-33.9176.3-174.5-17717000111.5L39 T59 S61 N62 Q67 N68L39-E64 HydrophobicContact CD2-CG 4.47Å; T59-E64 VanDerWaalsContact CB-OE2 3.26Å; T59-E64 WeakPolarHBondContact CB-OE2 3.18Å; T59-E64 HydrophobicContact CG2-CB 4.29Å; T59-E64 PolarHBondContact OG1-OE2 3.07Å; S61-E64 PolarHBondContact OG-N 3.31Å; N62-E64 VanDerWaalsContact C-N 3.32Å; N62-E64 PolarHBondContact O-N 3.4Å; E64-Q67 PolarHBondContact O-N 2.98Å; E64-N68 WeakPolarHBondContact O-CB 3.35Å; E64-N68 PolarHBondContact O-N 3.41Å; E64-N68 PolarHBondContact O-ND2 3.33Å
65V98.3Very high97.8Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-60.6-49.6174-178.60000110.3V14 L39 T59 N62 Q63 N68 C69 I72V14-V65 HydrophobicContact CG2-CB 4.31Å; V14-V65 HydrophobicContact CG2-CG1 4.18Å; L39-V65 HydrophobicContact CD2-CG2 4.46Å; L39-V65 HydrophobicContact CG-CG2 4.24Å; T59-V65 HydrophobicContact CG2-CG2 3.84Å; N62-V65 VanDerWaalsContact O-CB 3.32Å; N62-V65 WeakPolarHBondContact O-CB 3.33Å; N62-V65 PolarHBondContact O-N 3.24Å; N62-V65 VanDerWaalsContact O-N 3.16Å; Q63-V65 PolarHBondContact O-N 3.31Å; V65-N68 PolarHBondContact O-N 3.49Å; V65-C69 VanDerWaalsContact O-CB 3.25Å; V65-C69 WeakPolarHBondContact O-CB 3.4Å; V65-C69 PolarHBondContact O-N 2.93Å; V65-I72 HydrophobicContact CG1-CD1 4.25Å
66L97.4Very high97.7Very high3 Ų336.9 Ų36.92%0.01620%0.195CC..Hα-helixtrans-65.7-40.1179.9-77.183000111.8V14 N62 Q63 N68 C69 I72 V88 V91 V92 H96V14-L66 HydrophobicContact CG2-CD1 4.13Å; N62-L66 WeakPolarHBondContact O-CD1 3.46Å; N62-L66 PolarHBondContact O-N 2.86Å; Q63-L66 PolarHBondContact O-N 3.24Å; L66-N68 PolarHBondContact O-N 2.88Å; L66-N68 VanDerWaalsContact O-N 3.17Å; L66-C69 VanDerWaalsContact O-O 3.12Å; L66-I72 HydrophobicContact CD1-CG2 4.23Å; L66-I72 HydrophobicContact CG-CD1 4.29Å; L66-I72 HydrophobicContact CG-CG1 4.19Å; L66-I72 HydrophobicContact CG-CG2 4.37Å; L66-V88 HydrophobicContact CD1-CB 3.87Å; L66-V88 HydrophobicContact CD1-CG1 3.84Å; L66-V88 HydrophobicContact CD1-CG2 4.28Å; L66-V88 HydrophobicContact CD2-CB 3.83Å; L66-V88 HydrophobicContact CD2-CG2 3.99Å; L66-V91 HydrophobicContact CB-CG2 3.93Å; L66-V91 HydrophobicContact CD2-CG2 4.05Å; L66-V92 HydrophobicContact CD2-CB 4.43Å; L66-V92 HydrophobicContact CD2-CG2 3.34Å; L66-H96 PolarHBondContact O-NE2 3.03Å
67Q96.7Very high97.5Very high128 Ų12843.3 Ų43.360%0.59822%0.222SC*.Hα-helixtrans-63.9-23.4179-71.9168.3-900113.9Q63 E64Q63-Q67 VanDerWaalsContact O-CG 3.27Å; Q63-Q67 WeakPolarHBondContact O-CG 3.43Å; Q63-Q67 PolarHBondContact O-N 3.39Å; E64-Q67 PolarHBondContact O-N 2.98Å
68N97Very high97.1Very high63 Ų6340.6 Ų40.634%0.33721%0.213SC..Hα-helixtrans-113.1-5.6-173.5-73-82.4000114.3R10 L39 E64 V65 L66R10-N68 WeakPolarHBondContact CD-O 3.46Å; L39-N68 HydrophobicContact CD2-CB 3.93Å; E64-N68 WeakPolarHBondContact O-CB 3.35Å; E64-N68 PolarHBondContact O-N 3.41Å; E64-N68 PolarHBondContact O-ND2 3.33Å; V65-N68 PolarHBondContact O-N 3.49Å; L66-N68 PolarHBondContact O-N 2.88Å; L66-N68 VanDerWaalsContact O-N 3.17Å
69C97.9Very high96.8Very high10 Ų1046 Ų467%0.06824%0.236CC..  trans-132.6148.5-174.3-60.60000111.3R10 V65 L66 I72 H96R10-C69 HydrophobicContact CB-CB 4.26Å; R10-C69 WeakPolarHBondContact O-CB 3.26Å; V65-C69 VanDerWaalsContact O-CB 3.25Å; V65-C69 WeakPolarHBondContact O-CB 3.4Å; V65-C69 PolarHBondContact O-N 2.93Å; L66-C69 VanDerWaalsContact O-O 3.12Å; C69-I72 HydrophobicContact CB-CD1 3.52Å; C69-H96 PolarHBondContact O-CD2 3.19Å
70S96.3Very high96.6Very high48 Ų4848.5 Ų48.534%0.33625%0.251SS..SBendtrans-101.6-29.9177.651.90000112.6R10 H96 I97R10-S70 PolarHBondContact O-N 3.24Å; R10-S70 VanDerWaalsContact O-N 3.16Å; S70-H96 CarbonylContact O-C 3.57Å; S70-H96 WeakPolarHBondContact O-CA 3.49Å; S70-I97 PolarHBondContact O-N 2.98Å
71L98.3Very high96.5Very high1 Ų143.7 Ų43.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-103.6114.5172.4178.567.3000109.6L9 R10 V11 G12 I97 V99 L155L9-L71 HydrophobicContact CD1-CB 4.2Å; R10-L71 PolarHBondContact O-N 3.07Å; V11-L71 CarbonylContact C-O 3.58Å; V11-L71 WeakPolarHBondContact CA-O 3.37Å; V11-L71 HydrophobicContact CG1-CD2 4.31Å; V11-L71 HydrophobicContact CG2-CD2 4.12Å; G12-L71 PolarHBondContact N-O 3.07Å; L71-I97 HydrophobicContact CD1-CB 3.74Å; L71-I97 HydrophobicContact CD1-CG2 3.59Å; L71-V99 HydrophobicContact CD1-CG2 3.64Å; L71-L155 HydrophobicContact CD2-CD1 3.39Å
72I98.6Very high96.4Very high0 Ų044.4 Ų44.40%023%0.232CC..EExtended strand (participates in β ladder)trans-114.4115.7-173.4-47.1-61.7000110.1V14 V65 L66 C69 F74 I97 V99V14-I72 HydrophobicContact CG2-CG2 3.89Å; V65-I72 HydrophobicContact CG1-CD1 4.25Å; L66-I72 HydrophobicContact CD1-CG2 4.23Å; L66-I72 HydrophobicContact CG-CD1 4.29Å; L66-I72 HydrophobicContact CG-CG1 4.19Å; L66-I72 HydrophobicContact CG-CG2 4.37Å; C69-I72 HydrophobicContact CB-CD1 3.52Å; I72-F74 HydrophobicContact CB-CE2 4.23Å; I72-F74 HydrophobicContact CG2-CD2 4.14Å; I72-F74 HydrophobicContact CG2-CE2 3.6Å; I72-F74 HydrophobicContact CG2-CZ 3.95Å; I72-I97 PolarHBondContact N-O 3.03Å; I72-V99 PolarHBondContact O-N 3.35Å
73I98.6Very high96.3Very high3 Ų349 Ų492%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-100.6110.6177.7-57.7172.8000109.2V11 G12 F13 V14 I23 A75 V99 V101V11-I73 HydrophobicContact CG1-CD1 3.96Å; V11-I73 HydrophobicContact CG1-CG1 4.5Å; G12-I73 PolarHBondContact O-N 2.8Å; F13-I73 WeakPolarHBondContact CA-O 3.47Å; F13-I73 HydrophobicContact CD1-CB 3.85Å; F13-I73 HydrophobicContact CD1-CD1 4.32Å; F13-I73 HydrophobicContact CD1-CG2 4.04Å; F13-I73 HydrophobicContact CE1-CB 3.96Å; F13-I73 HydrophobicContact CE1-CD1 3.58Å; F13-I73 HydrophobicContact CE1-CG1 4.33Å; F13-I73 HydrophobicContact CE1-CG2 4.05Å; F13-I73 HydrophobicContact CZ-CD1 3.76Å; V14-I73 PolarHBondContact N-O 3.2Å; I23-I73 HydrophobicContact CG2-CD1 4.08Å; I73-A75 PolarHBondContact O-N 3.28Å; I73-V99 CarbonylContact C-O 3.46Å; I73-V99 WeakPolarHBondContact CA-O 3.49Å; I73-V99 HydrophobicContact CG1-CB 4.14Å; I73-V101 HydrophobicContact CG2-CG1 4.17Å; I73-V101 HydrophobicContact CG2-CG2 4.44Å
74F98.4Very high96.3Very high1 Ų146.2 Ų46.20%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-82105.5171.2-69.1-92.1000109.8V14 I72 L81 V84 L85 V88 V98 V99 V101V14-F74 HydrophobicContact CB-CD1 3.72Å; V14-F74 HydrophobicContact CB-CE1 3.93Å; V14-F74 HydrophobicContact CB-CG 4.36Å; V14-F74 HydrophobicContact CG1-CD1 3.78Å; V14-F74 HydrophobicContact CG1-CE1 3.91Å; V14-F74 HydrophobicContact CG2-CD1 4.23Å; V14-F74 HydrophobicContact CG2-CE1 3.95Å; V14-F74 HydrophobicContact CG2-CZ 4.37Å; I72-F74 HydrophobicContact CB-CE2 4.23Å; I72-F74 HydrophobicContact CG2-CD2 4.14Å; I72-F74 HydrophobicContact CG2-CE2 3.6Å; I72-F74 HydrophobicContact CG2-CZ 3.95Å; F74-L81 HydrophobicContact CB-CD1 3.76Å; F74-L81 HydrophobicContact CD1-CD1 3.79Å; F74-L81 HydrophobicContact CG-CD1 4.01Å; F74-V84 HydrophobicContact CD1-CG1 4.07Å; F74-V84 HydrophobicContact CE1-CG1 3.97Å; F74-L85 HydrophobicContact CD1-CD2 4.03Å; F74-L85 HydrophobicContact CD2-CD2 4.4Å; F74-L85 HydrophobicContact CE1-CD2 3.73Å; F74-L85 HydrophobicContact CE2-CD2 4.13Å; F74-L85 HydrophobicContact CG-CD2 4.36Å; F74-L85 HydrophobicContact CZ-CD2 3.78Å; F74-V88 HydrophobicContact CE1-CG2 3.98Å; F74-V88 HydrophobicContact CZ-CG2 3.83Å; F74-V98 HydrophobicContact CD2-CG1 3.71Å; F74-V98 HydrophobicContact CE2-CB 4.42Å; F74-V98 HydrophobicContact CE2-CG1 3.52Å; F74-V98 HydrophobicContact CE2-CG2 4.27Å; F74-V99 PolarHBondContact N-O 2.83Å; F74-V101 WeakPolarHBondContact O-CG2 3.33Å; F74-V101 PolarHBondContact O-N 3.44Å
75A96.4Very high96.2Very high14 Ų1442.6 Ų42.612%0.11623%0.227CC..  trans-118.438.8-179.400000111.7V14 A20 I73 V101V14-A75 PolarHBondContact O-N 3.03Å; A20-A75 HydrophobicContact CB-CB 3.69Å; I73-A75 PolarHBondContact O-N 3.28Å; A75-V101 HydrophobicContact CB-CG2 3.66Å
76T95.3Very high96.1Very high29 Ų2945.5 Ų45.518%0.17825%0.252CS..SBendtrans-87.4171.5172.8630000111.1V14 V84V14-T76 HydrophobicContact CG1-CG2 4.19Å; V14-T76 WeakPolarHBondContact O-CG2 3.39Å; T76-V84 HydrophobicContact CG2-CG2 4.41Å
77K92.7Very high96.1Very high146 Ų14649.1 Ų49.164%0.63527%0.268SS*.  trans-69.4144.6172.3-68.2-175.7177.7178.90109.8Q79 V80 L81K77-Q79 PolarHBondContact O-N 3.49Å; K77-Q79 VanDerWaalsContact O-N 3.08Å; K77-V80 HydrophobicContact CB-CG2 4.36Å; K77-V80 PolarHBondContact O-N 3.3Å; K77-L81 PolarHBondContact O-N 3.44Å; K77-L81 VanDerWaalsContact O-N 3.17Å
78P90.9Very high96.1Very high43 Ų4343 Ų4328%0.27924%0.24SC..THydrogen-bonded Turntrans-52.6-36.3-179.2-28.435.4000114V80 L81 P82 A102 A103 V105P78-V80 VanDerWaalsContact C-N 3.26Å; P78-V80 PolarHBondContact O-N 3.16Å; P78-L81 PolarHBondContact O-N 3.4Å; P78-P82 WeakPolarHBondContact O-CD 3.31Å; P78-A102 HydrophobicContact CG-CB 4.3Å; P78-A103 WeakPolarHBondContact CB-O 3.37Å; P78-A103 HydrophobicContact CG-CB 4.38Å; P78-A103 WeakPolarHBondContact CG-O 3.32Å; P78-V105 HydrophobicContact CB-CG2 4.13Å
79Q92.5Very high96.1Very high149 Ų14941 Ų4170%0.69623%0.232SC*.THydrogen-bonded Turntrans-70.3-21.6-178.8-5384.511.800113.8K77K77-Q79 PolarHBondContact O-N 3.49Å; K77-Q79 VanDerWaalsContact O-N 3.08Å
80V94Very high96Very high67 Ų6745.7 Ų45.741%0.40626%0.262SS..THydrogen-bonded Turntrans-100.5-17.9-176.3-177.20000110.9K77 P78 D83 V84K77-V80 HydrophobicContact CB-CG2 4.36Å; K77-V80 PolarHBondContact O-N 3.3Å; P78-V80 VanDerWaalsContact C-N 3.26Å; P78-V80 PolarHBondContact O-N 3.16Å; V80-D83 PolarHBondContact O-N 2.98Å; V80-V84 HydrophobicContact CG1-CG2 3.88Å; V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.31Å
81L95.5Very high96.1Very high1 Ų145.2 Ų45.21%0.00526%0.257CS..Hα-helixtrans-58.3-42-175.7-175.861.8000113.5F74 K77 P78 D83 V84 L85 A102 V105 L110F74-L81 HydrophobicContact CB-CD1 3.76Å; F74-L81 HydrophobicContact CD1-CD1 3.79Å; F74-L81 HydrophobicContact CG-CD1 4.01Å; K77-L81 PolarHBondContact O-N 3.44Å; K77-L81 VanDerWaalsContact O-N 3.17Å; P78-L81 PolarHBondContact O-N 3.4Å; L81-D83 PolarHBondContact O-N 2.88Å; L81-V84 PolarHBondContact O-N 3.4Å; L81-L85 HydrophobicContact CD1-CD1 4.13Å; L81-L85 HydrophobicContact CD1-CD2 4.18Å; L81-L85 HydrophobicContact CD1-CG 3.85Å; L81-L85 HydrophobicContact CD2-CD1 4.35Å; L81-L85 HydrophobicContact CG-CD1 3.82Å; L81-L85 HydrophobicContact CG-CG 4.03Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 2.85Å; L81-A102 HydrophobicContact CD2-CB 3.63Å; L81-V105 HydrophobicContact CD2-CB 4.37Å; L81-V105 HydrophobicContact CD2-CG1 4.18Å; L81-V105 HydrophobicContact CD2-CG2 4.15Å; L81-L110 HydrophobicContact CD2-CD2 3.8Å
82P95Very high96Very high56 Ų5645.8 Ų45.836%0.36426%0.261SS..Hα-helixtrans-58.7-45.6179.7-26.436000113.8P78 V84 L85 A86 L113P78-P82 WeakPolarHBondContact O-CD 3.31Å; P82-V84 VanDerWaalsContact C-N 3.32Å; P82-V84 PolarHBondContact O-N 2.77Å; P82-L85 PolarHBondContact O-N 2.82Å; P82-A86 PolarHBondContact O-N 3.49Å; P82-L113 HydrophobicContact CB-CD1 4.04Å; P82-L113 HydrophobicContact CG-CD1 4.47Å
83D96.3Very high95.9Very high119 Ų11949 Ų4964%0.63628%0.281SS*.Hα-helixtrans-64.4-39.9178.8-63.5-27.1000111.4V80 L81 A86 E87V80-D83 PolarHBondContact O-N 2.98Å; L81-D83 PolarHBondContact O-N 2.88Å; D83-A86 PolarHBondContact O-N 2.96Å; D83-E87 PolarHBondContact O-N 3.37Å
84V97.3Very high95.6Very high12 Ų1253 Ų537%0.07331%0.305CS..Hα-helixtrans-67.3-40.1177.6170.10000111.5V14 F74 T76 V80 L81 P82 E87 V88V14-V84 HydrophobicContact CG1-CG1 3.45Å; V14-V84 VanDerWaalsContact CG1-CG1 3.45Å; F74-V84 HydrophobicContact CD1-CG1 4.07Å; F74-V84 HydrophobicContact CE1-CG1 3.97Å; T76-V84 HydrophobicContact CG2-CG2 4.41Å; V80-V84 HydrophobicContact CG1-CG2 3.88Å; V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.31Å; L81-V84 PolarHBondContact O-N 3.4Å; P82-V84 VanDerWaalsContact C-N 3.32Å; P82-V84 PolarHBondContact O-N 2.77Å; V84-E87 WeakPolarHBondContact O-CB 3.29Å; V84-E87 PolarHBondContact O-N 3.07Å; V84-V88 WeakPolarHBondContact O-CG2 3.38Å; V84-V88 PolarHBondContact O-N 3.33Å
85L96.9Very high95.3Very high1 Ų159.4 Ų59.41%0.00534%0.335CS..Hα-helixtrans-64.8-42.1175.4-69.9174.7000111F74 L81 P82 E87 V88 A89 L110 L113 L114F74-L85 HydrophobicContact CD1-CD2 4.03Å; F74-L85 HydrophobicContact CD2-CD2 4.4Å; F74-L85 HydrophobicContact CE1-CD2 3.73Å; F74-L85 HydrophobicContact CE2-CD2 4.13Å; F74-L85 HydrophobicContact CG-CD2 4.36Å; F74-L85 HydrophobicContact CZ-CD2 3.78Å; L81-L85 HydrophobicContact CD1-CD1 4.13Å; L81-L85 HydrophobicContact CD1-CD2 4.18Å; L81-L85 HydrophobicContact CD1-CG 3.85Å; L81-L85 HydrophobicContact CD2-CD1 4.35Å; L81-L85 HydrophobicContact CG-CD1 3.82Å; L81-L85 HydrophobicContact CG-CG 4.03Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 2.85Å; P82-L85 PolarHBondContact O-N 2.82Å; L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.78Å; L85-V88 PolarHBondContact O-N 3.12Å; L85-A89 VanDerWaalsContact O-CB 3.28Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.11Å; L85-L110 HydrophobicContact CD1-CD2 3.71Å; L85-L113 HydrophobicContact CB-CB 4.19Å; L85-L113 HydrophobicContact CD1-CB 4.11Å; L85-L113 HydrophobicContact CD1-CD1 3.94Å; L85-L114 HydrophobicContact CD2-CD1 4.28Å; L85-L114 HydrophobicContact CD2-CD2 3.98Å; L85-L114 HydrophobicContact CD2-CG 4.24Å
86A96.2Very high95.3Very high62 Ų6259.4 Ų59.451%0.51233%0.333SS..Hα-helixtrans-62.2-38.4175.400000112.5P82 D83 V88P82-A86 PolarHBondContact O-N 3.49Å; D83-A86 PolarHBondContact O-N 2.96Å; A86-V88 PolarHBondContact O-N 3.09Å
87E96.9Very high95.4Very high79 Ų7958.5 Ų58.537%0.36933%0.327SS..Hα-helixtrans-61.4-40.7176.2-175-159.3150.600112.6N62 Q63 D83 V84 L85N62-E87 PolarHBondContact ND2-OE2 3.45Å; Q63-E87 PolarHBondContact NE2-O 3.17Å; Q63-E87 VanDerWaalsContact NE2-O 3.1Å; D83-E87 PolarHBondContact O-N 3.37Å; V84-E87 WeakPolarHBondContact O-CB 3.29Å; V84-E87 PolarHBondContact O-N 3.07Å; L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.78Å
88V97.4Very high95.7Very high0 Ų051.6 Ų51.60%030%0.297CS..Hα-helixtrans-97.6-17.2-172.7-55.20000113.8N62 L66 F74 V84 L85 A86 P90 V91 V92N62-V88 HydrophobicContact CB-CG1 3.56Å; L66-V88 HydrophobicContact CD1-CB 3.87Å; L66-V88 HydrophobicContact CD1-CG1 3.84Å; L66-V88 HydrophobicContact CD1-CG2 4.28Å; L66-V88 HydrophobicContact CD2-CB 3.83Å; L66-V88 HydrophobicContact CD2-CG2 3.99Å; F74-V88 HydrophobicContact CE1-CG2 3.98Å; F74-V88 HydrophobicContact CZ-CG2 3.83Å; V84-V88 WeakPolarHBondContact O-CG2 3.38Å; V84-V88 PolarHBondContact O-N 3.33Å; L85-V88 PolarHBondContact O-N 3.12Å; A86-V88 PolarHBondContact O-N 3.09Å; V88-P90 VanDerWaalsContact C-N 3.27Å; V88-P90 VanDerWaalsContact O-N 3.11Å; V88-V91 HydrophobicContact CB-CG2 4.5Å; V88-V91 WeakPolarHBondContact O-CG2 3.46Å; V88-V91 PolarHBondContact O-N 2.76Å; V88-V92 HydrophobicContact CG2-CG2 4.41Å; V88-V92 PolarHBondContact O-N 3.23Å
89A96.6Very high96.1Very high20 Ų2049.7 Ų49.717%0.16528%0.284CS..G310 helixtrans-47.7-39.6179.700000114.2L85 V91 V92 P115L85-A89 VanDerWaalsContact O-CB 3.28Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.11Å; A89-V91 PolarHBondContact O-N 3.38Å; A89-V92 PolarHBondContact O-N 2.77Å; A89-P115 VanDerWaalsContact O-CG 3.24Å; A89-P115 WeakPolarHBondContact O-CG 3.25Å
90P97Very high96.3Very high109 Ų10942.6 Ų42.671%0.70825%0.251SS*.G310 helixtrans-63.6-20.5178.8-24.535.8000115.4V88V88-P90 VanDerWaalsContact C-N 3.27Å; V88-P90 VanDerWaalsContact O-N 3.11Å
91V97.1Very high96.5Very high37 Ų3740.3 Ų40.322%0.22424%0.237CC..G310 helixtrans-107.2-2.6-179.6-58.70000113Q63 L66 V88 A89 H96Q63-V91 HydrophobicContact CB-CG2 4.27Å; Q63-V91 HydrophobicContact CG-CG2 4.2Å; L66-V91 HydrophobicContact CB-CG2 3.93Å; L66-V91 HydrophobicContact CD2-CG2 4.05Å; V88-V91 HydrophobicContact CB-CG2 4.5Å; V88-V91 WeakPolarHBondContact O-CG2 3.46Å; V88-V91 PolarHBondContact O-N 2.76Å; A89-V91 PolarHBondContact O-N 3.38Å; V91-H96 PolarHBondContact O-CE1 3.38Å
92V97.3Very high96.4Very high14 Ų1440.5 Ų40.59%0.08524%0.239CC..  trans-71.6132.9174.1174.60000109.4L66 V88 A89 L114 P115 T118L66-V92 HydrophobicContact CD2-CB 4.43Å; L66-V92 HydrophobicContact CD2-CG2 3.34Å; V88-V92 HydrophobicContact CG2-CG2 4.41Å; V88-V92 PolarHBondContact O-N 3.23Å; A89-V92 PolarHBondContact O-N 2.77Å; V92-L114 HydrophobicContact CG2-CD2 3.94Å; V92-P115 HydrophobicContact CB-CG 3.97Å; V92-P115 HydrophobicContact CG1-CG 4.24Å; V92-T118 HydrophobicContact CG1-CG2 3.83Å
93T95.3Very high96Very high68 Ų6840.9 Ų40.942%0.41725%0.247SC..  trans-126.9168.7178.173.40000110.2E95 H96T93-E95 PolarHBondContact O-N 3.22Å; T93-E95 VanDerWaalsContact O-N 3.17Å; T93-E95 PolarHBondContact OG1-N 3.41Å; T93-H96 PolarHBondContact N-CE1 3.38Å; T93-H96 PolarHBondContact N-ND1 3.32Å; T93-H96 WeakPolarHBondContact O-CB 3.03Å; T93-H96 PolarHBondContact O-N 2.93Å; T93-H96 PolarHBondContact O-ND1 3.29Å; T93-H96 PolarHBondContact OG1-CE1 3.29Å; T93-H96 VanDerWaalsContact OG1-CE1 3.26Å; T93-H96 PolarHBondContact OG1-ND1 3.37Å
94T92.3Very high95.6Very high87 Ų8736.2 Ų36.253%0.53423%0.226SC..THydrogen-bonded Turntrans-61.9-20.5175.750.10000113.6H96 R119T94-H96 PolarHBondContact O-N 3.16Å; T94-R119 PolarHBondContact O-NE 3.06Å; T94-R119 VanDerWaalsContact O-NE 3.09Å; T94-R119 PolarHBondContact O-NH2 2.64Å; T94-R119 VanDerWaalsContact O-NH2 3.12Å
95E91.8Very high95.4Very high135 Ų13536.7 Ų36.763%0.63123%0.229SC*.THydrogen-bonded Turntrans-73.5-11.9176-59.3-52.4135.500113.3T93 R119T93-E95 PolarHBondContact O-N 3.22Å; T93-E95 VanDerWaalsContact O-N 3.17Å; T93-E95 PolarHBondContact OG1-N 3.41Å; E95-R119 PolarHBondContact O-NH2 3.08Å
96H97.3Very high95.3Very high13 Ų1337.7 Ų37.76%0.0624%0.237CC..  trans-84.8140.2177-61.386.7000111.6L66 C69 S70 V91 T93 T94 V98 R119L66-H96 PolarHBondContact O-NE2 3.03Å; C69-H96 PolarHBondContact O-CD2 3.19Å; S70-H96 CarbonylContact O-C 3.57Å; S70-H96 WeakPolarHBondContact O-CA 3.49Å; V91-H96 PolarHBondContact O-CE1 3.38Å; T93-H96 PolarHBondContact N-CE1 3.38Å; T93-H96 PolarHBondContact N-ND1 3.32Å; T93-H96 WeakPolarHBondContact O-CB 3.03Å; T93-H96 PolarHBondContact O-N 2.93Å; T93-H96 PolarHBondContact O-ND1 3.29Å; T93-H96 PolarHBondContact OG1-CE1 3.29Å; T93-H96 VanDerWaalsContact OG1-CE1 3.26Å; T93-H96 PolarHBondContact OG1-ND1 3.37Å; T94-H96 PolarHBondContact O-N 3.16Å; H96-V98 HydrophobicContact CB-CG2 4.42Å; H96-R119 PolarHBondContact O-NE 3.24Å; H96-R119 VanDerWaalsContact O-NE 3.15Å
97I98.2Very high95.3Very high11 Ų1135.2 Ų35.26%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-105109.6162.4-56.8173.3000106.3S70 L71 I72 V99 R119 L121 D148 L151S70-I97 PolarHBondContact O-N 2.98Å; L71-I97 HydrophobicContact CD1-CB 3.74Å; L71-I97 HydrophobicContact CD1-CG2 3.59Å; I72-I97 PolarHBondContact N-O 3.03Å; I97-V99 HydrophobicContact CG2-CG2 4.32Å; I97-R119 VanDerWaalsContact CG1-CZ 3.49Å; I97-L121 HydrophobicContact CG2-CD1 3.44Å; I97-L121 VanDerWaalsContact CG2-CD1 3.44Å; I97-D148 HydrophobicContact CD1-CB 4.35Å; I97-D148 VanDerWaalsContact CD1-OD1 3.28Å; I97-D148 WeakPolarHBondContact CD1-OD1 3.39Å; I97-D148 HydrophobicContact CG2-CB 4.48Å; I97-L151 HydrophobicContact CD1-CD2 3.89Å
98V98.4Very high95.2Very high1 Ų134.2 Ų34.21%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-93.9122.1-178.8170.80000109.3F74 H96 L114 T118 R119 V120 L121F74-V98 HydrophobicContact CD2-CG1 3.71Å; F74-V98 HydrophobicContact CE2-CB 4.42Å; F74-V98 HydrophobicContact CE2-CG1 3.52Å; F74-V98 HydrophobicContact CE2-CG2 4.27Å; H96-V98 HydrophobicContact CB-CG2 4.42Å; V98-L114 HydrophobicContact CB-CD1 4.39Å; V98-L114 HydrophobicContact CG1-CD1 3.84Å; V98-L114 HydrophobicContact CG2-CD1 4.46Å; V98-T118 HydrophobicContact CB-CG2 4.23Å; V98-T118 HydrophobicContact CG2-CG2 3.77Å; V98-R119 PolarHBondContact N-O 3.39Å; V98-V120 HydrophobicContact CB-CG2 4.43Å; V98-V120 CarbonylContact O-C 3.5Å; V98-V120 VanDerWaalsContact O-CA 3.32Å; V98-V120 WeakPolarHBondContact O-CA 3.31Å; V98-L121 PolarHBondContact O-N 2.95Å
99V98.6Very high95.1Very high2 Ų236.2 Ų36.21%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-116.9124.1178.2-176.20000109L71 I72 I73 F74 I97 L121 V123 L152L71-V99 HydrophobicContact CD1-CG2 3.64Å; I72-V99 PolarHBondContact O-N 3.35Å; I73-V99 CarbonylContact C-O 3.46Å; I73-V99 WeakPolarHBondContact CA-O 3.49Å; I73-V99 HydrophobicContact CG1-CB 4.14Å; F74-V99 PolarHBondContact N-O 2.83Å; I97-V99 HydrophobicContact CG2-CG2 4.32Å; V99-L121 CarbonylContact C-O 3.58Å; V99-L121 VanDerWaalsContact CA-O 3.3Å; V99-L121 WeakPolarHBondContact CA-O 3.28Å; V99-L121 HydrophobicContact CG2-CB 4.49Å; V99-V123 HydrophobicContact CG1-CB 4.26Å; V99-V123 HydrophobicContact CG1-CG2 3.71Å; V99-L152 HydrophobicContact CB-CD2 4.31Å; V99-L152 HydrophobicContact CG1-CD1 4.46Å; V99-L152 HydrophobicContact CG1-CD2 3.77Å; V99-L152 HydrophobicContact CG2-CD1 4.03Å; V99-L152 HydrophobicContact CG2-CD2 3.52Å; V99-L152 HydrophobicContact CG2-CG 4.43Å
100S97.9Very high95Very high0 Ų035.3 Ų35.30%022%0.223CC..EExtended strand (participates in β ladder)trans-103.3130.3171.1-179.10000110.6A102 L121 V123S100-A102 PolarHBondContact OG-N 3.12Å; S100-L121 PolarHBondContact N-O 2.94Å; S100-V123 PolarHBondContact O-N 3.14Å
101V96.9Very high95Very high20 Ų2032 Ų3212%0.12120%0.198CC..  trans-10512167.1-60.10000112.6M19 I23 I73 F74 A75 A103 V123 P125M19-V101 HydrophobicContact CG-CG2 4.44Å; I23-V101 HydrophobicContact CD1-CG1 4.15Å; I73-V101 HydrophobicContact CG2-CG1 4.17Å; I73-V101 HydrophobicContact CG2-CG2 4.44Å; F74-V101 WeakPolarHBondContact O-CG2 3.33Å; F74-V101 PolarHBondContact O-N 3.44Å; A75-V101 HydrophobicContact CB-CG2 3.66Å; V101-A103 PolarHBondContact O-N 3.37Å; V101-V123 WeakPolarHBondContact CA-O 3.32Å; V101-V123 HydrophobicContact CG1-CB 4.11Å; V101-V123 HydrophobicContact CG1-CG1 4.32Å; V101-P125 HydrophobicContact CB-CG 4.2Å; V101-P125 HydrophobicContact CG1-CG 4.34Å
102A93Very high94.9Very high5 Ų537.6 Ų37.64%0.04122%0.222CC..  trans-74.3124.6-178.700000111.3P78 L81 S100 V105P78-A102 HydrophobicContact CG-CB 4.3Å; L81-A102 HydrophobicContact CD2-CB 3.63Å; S100-A102 PolarHBondContact OG-N 3.12Å; A102-V105 HydrophobicContact CB-CB 4.48Å; A102-V105 HydrophobicContact CB-CG2 3.98Å
103A88.6Confident94.8Very high64 Ų6440.2 Ų40.253%0.52924%0.235SC..THydrogen-bonded Turntrans-63.8136.7176.100000111.5P78 V101 V105P78-A103 WeakPolarHBondContact CB-O 3.37Å; P78-A103 HydrophobicContact CG-CB 4.38Å; P78-A103 WeakPolarHBondContact CG-O 3.32Å; V101-A103 PolarHBondContact O-N 3.37Å; A103-V105 VanDerWaalsContact C-N 3.3Å; A103-V105 PolarHBondContact O-N 2.97Å
104G86.8Confident94.9Very high20 Ų2037.5 Ų37.521%0.20622%0.218CC..THydrogen-bonded Turntrans76.81.3173.700000116.5S272G104-S272 WeakPolarHBondContact CA-OG 3.39Å; G104-S272 WeakPolarHBondContact O-CA 3.44Å
105V92.7Very high95.1Very high22 Ų2235.2 Ų35.213%0.13321%0.205CC..  trans-96120.9176.3-173.10000109.4P78 L81 A102 A103 L110 R122P78-V105 HydrophobicContact CB-CG2 4.13Å; L81-V105 HydrophobicContact CD2-CB 4.37Å; L81-V105 HydrophobicContact CD2-CG1 4.18Å; L81-V105 HydrophobicContact CD2-CG2 4.15Å; A102-V105 HydrophobicContact CB-CB 4.48Å; A102-V105 HydrophobicContact CB-CG2 3.98Å; A103-V105 VanDerWaalsContact C-N 3.3Å; A103-V105 PolarHBondContact O-N 2.97Å; V105-L110 HydrophobicContact CG1-CD2 3.81Å; V105-L110 HydrophobicContact CG1-CG 4.01Å; V105-R122 VanDerWaalsContact O-CD 3.29Å; V105-R122 WeakPolarHBondContact O-CD 3.28Å; V105-R122 PolarHBondContact O-NE 3.32Å
106S94.8Very high95.2Very high23 Ų2334.4 Ų34.416%0.16121%0.211CC..  trans-77.5158.2-17967.10000112.6S108 S109 L110 E167S106-S108 PolarHBondContact O-N 3.05Å; S106-S108 PolarHBondContact OG-OG 3.22Å; S106-S109 PolarHBondContact O-N 2.94Å; S106-S109 PolarHBondContact OG-N 3.03Å; S106-S109 PolarHBondContact OG-OG 2.98Å; S106-S109 VanDerWaalsContact OG-OG 3.13Å; S106-L110 WeakPolarHBondContact O-CG 3.35Å; S106-L110 PolarHBondContact O-N 2.98Å; S106-L110 VanDerWaalsContact O-N 3.09Å; S106-E167 VanDerWaalsContact CA-OE1 3.24Å; S106-E167 WeakPolarHBondContact CA-OE1 3.47Å
107L96.4Very high95.1Very high9 Ų940.5 Ų40.55%0.04724%0.237CC..Hα-helixtrans-56.2-41.3170.7-74.4166.8000111.5S109 L110 E111 V120 R122 A139 R140 E167L107-S109 PolarHBondContact O-N 3.1Å; L107-L110 WeakPolarHBondContact O-CB 3.32Å; L107-L110 PolarHBondContact O-N 3.02Å; L107-E111 WeakPolarHBondContact O-CG 3.08Å; L107-E111 PolarHBondContact O-N 3.15Å; L107-V120 HydrophobicContact CD2-CG1 3.91Å; L107-R122 HydrophobicContact CD2-CB 3.65Å; L107-R122 HydrophobicContact CG-CB 3.9Å; L107-A139 HydrophobicContact CD1-CB 3.91Å; L107-R140 VanDerWaalsContact CD1-C 3.42Å; L107-R140 WeakPolarHBondContact CD1-O 3.28Å; L107-E167 HydrophobicContact CD1-CB 4.15Å; L107-E167 HydrophobicContact CD1-CG 4.17Å; L107-E167 PolarHBondContact N-OE1 3.11Å
108S95.4Very high95Very high59 Ų5940.3 Ų40.341%0.41324%0.236SC..Hα-helixtrans-58.7-45.7177.3650000112S106 L110 E111 E112S106-S108 PolarHBondContact O-N 3.05Å; S106-S108 PolarHBondContact OG-OG 3.22Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 2.77Å; S108-E111 PolarHBondContact O-N 2.97Å; S108-E112 WeakPolarHBondContact O-CB 3.34Å; S108-E112 VanDerWaalsContact O-CG 3.28Å; S108-E112 WeakPolarHBondContact O-CG 3.4Å; S108-E112 PolarHBondContact O-N 3.3Å
109S94Very high95Very high42 Ų4242.9 Ų42.929%0.29425%0.246SC..Hα-helixtrans-65-36.5177.4-62.50000112.3S106 L107 L113S106-S109 PolarHBondContact O-N 2.94Å; S106-S109 PolarHBondContact OG-N 3.03Å; S106-S109 PolarHBondContact OG-OG 2.98Å; S106-S109 VanDerWaalsContact OG-OG 3.13Å; L107-S109 PolarHBondContact O-N 3.1Å; S109-L113 WeakPolarHBondContact O-CD1 3.3Å; S109-L113 VanDerWaalsContact O-CG 3.25Å; S109-L113 WeakPolarHBondContact O-CG 3.46Å; S109-L113 PolarHBondContact O-N 2.83Å
110L95.9Very high95Very high1 Ų142.8 Ų42.81%0.00525%0.245CC..Hα-helixtrans-65.4-45.6175.3-64.2170.3000111.3L81 L85 V105 S106 L107 S108 L113 L114 V120L81-L110 HydrophobicContact CD2-CD2 3.8Å; L85-L110 HydrophobicContact CD1-CD2 3.71Å; V105-L110 HydrophobicContact CG1-CD2 3.81Å; V105-L110 HydrophobicContact CG1-CG 4.01Å; S106-L110 WeakPolarHBondContact O-CG 3.35Å; S106-L110 PolarHBondContact O-N 2.98Å; S106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 WeakPolarHBondContact O-CB 3.32Å; L107-L110 PolarHBondContact O-N 3.02Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 2.77Å; L110-L113 PolarHBondContact O-N 3.48Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 WeakPolarHBondContact O-CD1 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.39Å; L110-L114 PolarHBondContact O-N 3.45Å; L110-L114 VanDerWaalsContact O-N 3.16Å; L110-V120 HydrophobicContact CB-CG1 3.79Å; L110-V120 HydrophobicContact CD1-CG1 3.66Å; L110-V120 HydrophobicContact CG-CG1 4.35Å
111E96.5Very high95Very high39 Ų3942.8 Ų42.818%0.18225%0.245CC..Hα-helixtrans-68.4-32-179.7-71.4-179.6147.700113L107 S108 L113 V120 G141 H142L107-E111 WeakPolarHBondContact O-CG 3.08Å; L107-E111 PolarHBondContact O-N 3.15Å; S108-E111 PolarHBondContact O-N 2.97Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-V120 HydrophobicContact CG-CB 4.39Å; E111-V120 HydrophobicContact CG-CG2 4.16Å; E111-G141 WeakPolarHBondContact OE1-CA 3.47Å; E111-H142 IonicContact OE1-CG 3.15Å; E111-H142 PolarHBondContact OE1-N 3.27Å; E111-H142 IonicContact OE1-ND1 3.78Å; E111-H142 PolarHBondContact OE1-ND1 2.79Å; E111-H142 IonicContact OE2-CE1 2.77Å; E111-H142 PolarHBondContact OE2-CE1 2.81Å; E111-H142 IonicContact OE2-CG 3.37Å; E111-H142 IonicContact OE2-ND1 3.96Å; E111-H142 PolarHBondContact OE2-ND1 2.84Å
112E95.8Very high95.1Very high155 Ų15542.3 Ų42.372%0.72424%0.242SC*.Hα-helixtrans-68.3-32.5174.3-77.1170.9-169.100112.8S108S108-E112 WeakPolarHBondContact O-CB 3.34Å; S108-E112 VanDerWaalsContact O-CG 3.28Å; S108-E112 WeakPolarHBondContact O-CG 3.4Å; S108-E112 PolarHBondContact O-N 3.3Å
113L95.4Very high95.3Very high69 Ų6942.2 Ų42.236%0.36124%0.24SC..Hα-helixtrans-89.1-12.1-178.2-68.2171.5000113.6P82 L85 S109 L110 E111P82-L113 HydrophobicContact CB-CD1 4.04Å; P82-L113 HydrophobicContact CG-CD1 4.47Å; L85-L113 HydrophobicContact CB-CB 4.19Å; L85-L113 HydrophobicContact CD1-CB 4.11Å; L85-L113 HydrophobicContact CD1-CD1 3.94Å; S109-L113 WeakPolarHBondContact O-CD1 3.3Å; S109-L113 VanDerWaalsContact O-CG 3.25Å; S109-L113 WeakPolarHBondContact O-CG 3.46Å; S109-L113 PolarHBondContact O-N 2.83Å; L110-L113 PolarHBondContact O-N 3.48Å; E111-L113 VanDerWaalsContact C-N 3.34Å
114L96.6Very high95.6Very high11 Ų1139.9 Ų39.96%0.05822%0.22CC..SBendtrans-108159.5-178.3-73.4166.6000111L85 V92 V98 L110 T118 V120L85-L114 HydrophobicContact CD2-CD1 4.28Å; L85-L114 HydrophobicContact CD2-CD2 3.98Å; L85-L114 HydrophobicContact CD2-CG 4.24Å; V92-L114 HydrophobicContact CG2-CD2 3.94Å; V98-L114 HydrophobicContact CB-CD1 4.39Å; V98-L114 HydrophobicContact CG1-CD1 3.84Å; V98-L114 HydrophobicContact CG2-CD1 4.46Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 WeakPolarHBondContact O-CD1 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.39Å; L110-L114 PolarHBondContact O-N 3.45Å; L110-L114 VanDerWaalsContact O-N 3.16Å; L114-T118 HydrophobicContact CB-CG2 4.3Å; L114-T118 HydrophobicContact CD1-CG2 4.09Å; L114-V120 HydrophobicContact CD1-CG2 3.79Å
115P96.7Very high96.1Very high39 Ų3940 Ų4025%0.25322%0.217SC..  trans-55.2147.5175.1-27.236.6000112.3A89 V92 T118A89-P115 VanDerWaalsContact O-CG 3.24Å; A89-P115 WeakPolarHBondContact O-CG 3.25Å; V92-P115 HydrophobicContact CB-CG 3.97Å; V92-P115 HydrophobicContact CG1-CG 4.24Å; P115-T118 WeakPolarHBondContact O-CB 3.43Å; P115-T118 PolarHBondContact O-N 3.25Å; P115-T118 PolarHBondContact O-OG1 2.9Å
116P94.1Very high96.2Very high118 Ų11839.6 Ų39.677%0.76622%0.215SC*.THydrogen-bonded Turntrans-53.9144.4176-25.333.6000111.8T118P116-T118 VanDerWaalsContact C-N 3.25Å; P116-T118 PolarHBondContact O-N 2.84Å
117K94.2Very high96.2Very high140 Ų14042.5 Ų42.561%0.60923%0.228SC*.THydrogen-bonded Turntrans69.212-178-48.5176.7177.9179.50115.8R119K117-R119 PolarHBondContact O-N 3.35Å
118T96.8Very high96.3Very high7 Ų743.7 Ų43.74%0.04324%0.236CC..  trans-63.4134.1171.7-59.80000110.5V92 V98 L114 P115 P116 V120V92-T118 HydrophobicContact CG1-CG2 3.83Å; V98-T118 HydrophobicContact CB-CG2 4.23Å; V98-T118 HydrophobicContact CG2-CG2 3.77Å; L114-T118 HydrophobicContact CB-CG2 4.3Å; L114-T118 HydrophobicContact CD1-CG2 4.09Å; P115-T118 WeakPolarHBondContact O-CB 3.43Å; P115-T118 PolarHBondContact O-N 3.25Å; P115-T118 PolarHBondContact O-OG1 2.9Å; P116-T118 VanDerWaalsContact C-N 3.25Å; P116-T118 PolarHBondContact O-N 2.84Å; T118-V120 HydrophobicContact CG2-CG2 3.91Å; T118-V120 PolarHBondContact O-N 3.09Å
119R98.1Very high96.3Very high55 Ų5540.9 Ų40.921%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-79.5105.8175.8-57.8-178.1-71.9175.3-12.4109T94 E95 H96 I97 V98 K117 D148T94-R119 PolarHBondContact O-NE 3.06Å; T94-R119 VanDerWaalsContact O-NE 3.09Å; T94-R119 PolarHBondContact O-NH2 2.64Å; T94-R119 VanDerWaalsContact O-NH2 3.12Å; E95-R119 PolarHBondContact O-NH2 3.08Å; H96-R119 PolarHBondContact O-NE 3.24Å; H96-R119 VanDerWaalsContact O-NE 3.15Å; I97-R119 VanDerWaalsContact CG1-CZ 3.49Å; V98-R119 PolarHBondContact N-O 3.39Å; K117-R119 PolarHBondContact O-N 3.35Å; R119-D148 WeakPolarHBondContact CD-OD2 3.39Å; R119-D148 IonicContact CZ-OD1 3.98Å; R119-D148 IonicContact NE-OD1 3.63Å; R119-D148 IonicContact NH1-OD1 3.94Å; R119-D148 PolarHBondContact NH1-OD1 2.79Å
120V98.3Very high96.4Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-113.9132.5-175.6-176.50000110.6V98 L107 L110 E111 L114 T118 G141 A144V98-V120 HydrophobicContact CB-CG2 4.43Å; V98-V120 CarbonylContact O-C 3.5Å; V98-V120 VanDerWaalsContact O-CA 3.32Å; V98-V120 WeakPolarHBondContact O-CA 3.31Å; L107-V120 HydrophobicContact CD2-CG1 3.91Å; L110-V120 HydrophobicContact CB-CG1 3.79Å; L110-V120 HydrophobicContact CD1-CG1 3.66Å; L110-V120 HydrophobicContact CG-CG1 4.35Å; E111-V120 HydrophobicContact CG-CB 4.39Å; E111-V120 HydrophobicContact CG-CG2 4.16Å; L114-V120 HydrophobicContact CD1-CG2 3.79Å; T118-V120 HydrophobicContact CG2-CG2 3.91Å; T118-V120 PolarHBondContact O-N 3.09Å; V120-G141 PolarHBondContact O-N 3.21Å; V120-A144 WeakPolarHBondContact O-CB 3.28Å
121L98.4Very high96.4Very high0 Ų046.3 Ų46.30%025%0.245CC..EExtended strand (participates in β ladder)trans-122142.2166.5-60.498.8000109.8I97 V98 V99 S100 M138 A139 R140 A144 D148 A149 L152I97-L121 HydrophobicContact CG2-CD1 3.44Å; I97-L121 VanDerWaalsContact CG2-CD1 3.44Å; V98-L121 PolarHBondContact O-N 2.95Å; V99-L121 CarbonylContact C-O 3.58Å; V99-L121 VanDerWaalsContact CA-O 3.3Å; V99-L121 WeakPolarHBondContact CA-O 3.28Å; V99-L121 HydrophobicContact CG2-CB 4.49Å; S100-L121 PolarHBondContact N-O 2.94Å; L121-M138 HydrophobicContact CD2-CE 4.35Å; L121-M138 HydrophobicContact CD2-CG 4.04Å; L121-M138 HydrophobicContact CD2-SD 3.5Å; L121-M138 VanDerWaalsContact CD2-SD 3.5Å; L121-A139 WeakPolarHBondContact CA-O 3.45Å; L121-R140 HydrophobicContact CD2-CG 3.87Å; L121-R140 HydrophobicContact CG-CG 4.36Å; L121-A144 HydrophobicContact CD1-CB 4.06Å; L121-A144 HydrophobicContact CG-CB 4.05Å; L121-D148 HydrophobicContact CD1-CB 4.2Å; L121-A149 HydrophobicContact CD2-CB 4.21Å; L121-L152 HydrophobicContact CB-CD2 3.86Å; L121-L152 HydrophobicContact CD1-CD2 4.41Å; L121-L152 HydrophobicContact CD2-CD2 3.91Å; L121-L152 HydrophobicContact CG-CD2 4.27Å
122R97.8Very high96.4Very high11 Ų1146 Ų464%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-108.5126.4172.6178.4-179.3177.5-169.8-0.8108V105 L107 M138 A139 E167V105-R122 VanDerWaalsContact O-CD 3.29Å; V105-R122 WeakPolarHBondContact O-CD 3.28Å; V105-R122 PolarHBondContact O-NE 3.32Å; L107-R122 HydrophobicContact CD2-CB 3.65Å; L107-R122 HydrophobicContact CG-CB 3.9Å; R122-M138 CarbonylContact O-C 3.55Å; R122-M138 VanDerWaalsContact O-CA 3.29Å; R122-M138 WeakPolarHBondContact O-CA 3.43Å; R122-A139 PolarHBondContact N-O 2.99Å; R122-A139 PolarHBondContact O-N 2.9Å; R122-E167 WeakPolarHBondContact CD-OE1 3.41Å; R122-E167 IonicContact CZ-OE1 3.95Å; R122-E167 IonicContact NH1-OE1 3.64Å; R122-E167 PolarHBondContact NH1-OE1 3.18Å
123V97.6Very high96.5Very high2 Ų243.8 Ų43.81%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-119.4134.4177.3175.30000108.5V99 S100 V101 P125 V137 M138 L152 L156V99-V123 HydrophobicContact CG1-CB 4.26Å; V99-V123 HydrophobicContact CG1-CG2 3.71Å; S100-V123 PolarHBondContact O-N 3.14Å; V101-V123 WeakPolarHBondContact CA-O 3.32Å; V101-V123 HydrophobicContact CG1-CB 4.11Å; V101-V123 HydrophobicContact CG1-CG1 4.32Å; V123-P125 WeakPolarHBondContact O-CD 3.2Å; V123-V137 CarbonylContact C-O 3.56Å; V123-V137 WeakPolarHBondContact CA-O 3.39Å; V123-M138 HydrophobicContact CG2-CB 4.21Å; V123-M138 HydrophobicContact CG2-CG 4.02Å; V123-L152 HydrophobicContact CG2-CD2 3.75Å; V123-L156 HydrophobicContact CB-CD1 4.45Å; V123-L156 HydrophobicContact CG1-CD1 3.78Å; V123-L156 HydrophobicContact CG2-CD1 3.83Å
124S95.9Very high96.6Very high15 Ų1540.7 Ų40.711%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-114.797.3173.1-168.80000108.8M136 V137 H173S124-M136 WeakPolarHBondContact O-CA 3.34Å; S124-V137 PolarHBondContact N-O 2.82Å; S124-V137 PolarHBondContact O-N 2.93Å; S124-H173 PolarHBondContact O-CD2 3.44Å; S124-H173 PolarHBondContact O-NE2 3.43Å
125P96.3Very high96.6Very high23 Ų2341.7 Ų41.715%0.14923%0.228CC..  trans-86.7165.4173.434.7-33000111.9M19 V101 V123 M136M19-P125 HydrophobicContact CE-CB 3.96Å; M19-P125 HydrophobicContact CE-CG 3.86Å; M19-P125 HydrophobicContact CG-CB 4.49Å; M19-P125 HydrophobicContact CG-CG 3.75Å; M19-P125 HydrophobicContact SD-CB 3.71Å; M19-P125 HydrophobicContact SD-CG 3.62Å; V101-P125 HydrophobicContact CB-CG 4.2Å; V101-P125 HydrophobicContact CG1-CG 4.34Å; V123-P125 WeakPolarHBondContact O-CD 3.2Å; P125-M136 HydrophobicContact CB-CG 3.75Å; P125-M136 HydrophobicContact CB-SD 4.37Å
126N96Very high96.6Very high14 Ų1440 Ų408%0.07522%0.217CC..  trans-119.1169.8169.671-6.8000111.9M19 P128 C129 G134 A135 S177M19-N126 WeakPolarHBondContact CE-O 3.45Å; N126-P128 VanDerWaalsContact C-CD 3.48Å; N126-P128 WeakPolarHBondContact OD1-CD 3.23Å; N126-C129 PolarHBondContact O-N 3.09Å; N126-C129 PolarHBondContact O-SG 3.42Å; N126-G134 WeakPolarHBondContact OD1-CA 3.2Å; N126-A135 PolarHBondContact OD1-N 3.19Å; N126-A135 PolarHBondContact OD1-O 2.86Å; N126-S177 PolarHBondContact ND2-O 3.13Å
127L94.6Very high96.8Very high84 Ų8435 Ų3544%0.4418%0.184SC..G310 helixtrans-56.9-36.7-173-17462.6000114.7C129 I130 V181L127-C129 PolarHBondContact O-N 3.33Å; L127-I130 HydrophobicContact CD1-CD1 4.11Å; L127-I130 HydrophobicContact CD1-CG2 4.09Å; L127-I130 HydrophobicContact CG-CD1 4.2Å; L127-I130 WeakPolarHBondContact O-CG1 3.35Å; L127-I130 WeakPolarHBondContact O-CG2 3.28Å; L127-I130 PolarHBondContact O-N 3.25Å; L127-V181 HydrophobicContact CB-CG2 4.28Å; L127-V181 HydrophobicContact CD2-CG1 4.38Å
128P97Very high97Very high34 Ų3428.4 Ų28.422%0.22116%0.155CC..G310 helixtrans-53.3-14.6175.2-32.136.3000116.8N126 I130 V131 Q132 E133 V181N126-P128 VanDerWaalsContact C-CD 3.48Å; N126-P128 WeakPolarHBondContact OD1-CD 3.23Å; P128-I130 PolarHBondContact O-N 2.9Å; P128-I130 VanDerWaalsContact O-N 3.1Å; P128-V131 CarbonylContact O-C 3.52Å; P128-V131 WeakPolarHBondContact O-CG2 3.17Å; P128-V131 PolarHBondContact O-N 3.17Å; P128-Q132 PolarHBondContact O-N 3.24Å; P128-E133 VanDerWaalsContact CB-O 3.22Å; P128-E133 WeakPolarHBondContact CB-O 3.38Å; P128-E133 PolarHBondContact O-N 2.83Å; P128-E133 VanDerWaalsContact O-N 3.16Å; P128-V181 HydrophobicContact CG-CG2 4.05Å
129C96.9Very high97Very high0 Ų028.1 Ų28.10%015%0.154CC..G310 helixtrans-53.8-28168.3-65.10000112.7M19 A22 N126 L127 V131 Q132M19-C129 HydrophobicContact CE-CB 4.43Å; M19-C129 HydrophobicContact SD-CB 3.96Å; A22-C129 HydrophobicContact CB-CB 4.34Å; N126-C129 PolarHBondContact O-N 3.09Å; N126-C129 PolarHBondContact O-SG 3.42Å; L127-C129 PolarHBondContact O-N 3.33Å; C129-V131 PolarHBondContact O-N 2.88Å; C129-Q132 PolarHBondContact O-N 3.06Å; C129-Q132 PolarHBondContact O-NE2 3.08Å
130I95.3Very high97Very high57 Ų5729.1 Ų29.129%0.29216%0.157SC..G310 helixtrans-63.4-24.5177.571.9-177.5000113.1A22 L127 P128A22-I130 HydrophobicContact CB-CB 4.46Å; A22-I130 HydrophobicContact CB-CG2 4.01Å; L127-I130 HydrophobicContact CD1-CD1 4.11Å; L127-I130 HydrophobicContact CD1-CG2 4.09Å; L127-I130 HydrophobicContact CG-CD1 4.2Å; L127-I130 WeakPolarHBondContact O-CG1 3.35Å; L127-I130 WeakPolarHBondContact O-CG2 3.28Å; L127-I130 PolarHBondContact O-N 3.25Å; P128-I130 PolarHBondContact O-N 2.9Å; P128-I130 VanDerWaalsContact O-N 3.1Å
131V95.9Very high97Very high99 Ų9929.6 Ų29.660%0.616%0.162SC*.G310 helixtrans-109.114.7174.2-65.20000111.9P128 C129 E133P128-V131 CarbonylContact O-C 3.52Å; P128-V131 WeakPolarHBondContact O-CG2 3.17Å; P128-V131 PolarHBondContact O-N 3.17Å; C129-V131 PolarHBondContact O-N 2.88Å; V131-E133 HydrophobicContact CG2-CB 4.26Å; V131-E133 PolarHBondContact O-N 3.2Å
132Q96.9Very high96.9Very high33 Ų3337.2 Ų37.215%0.15420%0.198CC..THydrogen-bonded Turntrans62.226.4178-43.6-57.7-33.100114.1A22 G26 P128 C129 A158 C159A22-Q132 PolarHBondContact O-NE2 3.33Å; A22-Q132 VanDerWaalsContact O-NE2 3.12Å; G26-Q132 VanDerWaalsContact CA-CD 3.47Å; P128-Q132 PolarHBondContact O-N 3.24Å; C129-Q132 PolarHBondContact O-N 3.06Å; C129-Q132 PolarHBondContact O-NE2 3.08Å; Q132-A158 PolarHBondContact OE1-O 3.37Å; Q132-A158 VanDerWaalsContact OE1-O 3.14Å; Q132-C159 CarbonylContact C-O 3.58Å; Q132-C159 VanDerWaalsContact C-O 3.31Å; Q132-C159 CarbonylContact O-C 3.59Å; Q132-C159 VanDerWaalsContact OE1-CA 3.26Å
133E97.1Very high96.9Very high108 Ų10841.1 Ų41.151%0.50522%0.216SC..  trans-12336177.5-65.8-76.4-172.100110P128 V131P128-E133 VanDerWaalsContact CB-O 3.22Å; P128-E133 WeakPolarHBondContact CB-O 3.38Å; P128-E133 PolarHBondContact O-N 2.83Å; P128-E133 VanDerWaalsContact O-N 3.16Å; V131-E133 HydrophobicContact CG2-CB 4.26Å; V131-E133 PolarHBondContact O-N 3.2Å
134G97.1Very high96.9Very high5 Ų541.5 Ų41.55%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-63.8152.4179.500000113.5N126 C159 G160 Q161N126-G134 WeakPolarHBondContact OD1-CA 3.2Å; G134-C159 WeakPolarHBondContact CA-O 3.29Å; G134-C159 PolarHBondContact N-O 3.09Å; G134-G160 CarbonylContact O-C 3.56Å; G134-G160 VanDerWaalsContact O-CA 3.31Å; G134-G160 WeakPolarHBondContact O-CA 3.5Å; G134-Q161 PolarHBondContact O-N 2.97Å
135A97.4Very high96.9Very high32 Ų3242.3 Ų42.326%0.26423%0.23SC..EExtended strand (participates in β ladder)trans-113.2118.3159.900000107.3N126 H173N126-A135 PolarHBondContact OD1-N 3.19Å; N126-A135 PolarHBondContact OD1-O 2.86Å; A135-H173 PolarHBondContact O-CE1 3.47Å; A135-H173 PolarHBondContact O-NE2 3.47Å
136M97.4Very high96.9Very high4 Ų445.9 Ų45.92%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-124143.7-175.8-70.4161.3-69.900110.1S124 P125 L156 C159 Q161 C162 I163S124-M136 WeakPolarHBondContact O-CA 3.34Å; P125-M136 HydrophobicContact CB-CG 3.75Å; P125-M136 HydrophobicContact CB-SD 4.37Å; M136-L156 HydrophobicContact CE-CB 4.39Å; M136-L156 VanDerWaalsContact CE-O 3.28Å; M136-L156 WeakPolarHBondContact CE-O 3.41Å; M136-L156 HydrophobicContact SD-CB 4.18Å; M136-L156 HydrophobicContact SD-CD2 4.42Å; M136-C159 HydrophobicContact CE-CB 3.95Å; M136-C159 HydrophobicContact SD-CB 4.28Å; M136-Q161 WeakPolarHBondContact CB-O 3.45Å; M136-Q161 PolarHBondContact N-O 3.08Å; M136-C162 HydrophobicContact CB-CB 4.11Å; M136-C162 HydrophobicContact CE-CB 4.27Å; M136-C162 WeakPolarHBondContact O-CA 3.32Å; M136-I163 PolarHBondContact O-N 2.89Å; M136-I163 VanDerWaalsContact O-N 3.14Å
137V97.6Very high97Very high13 Ų1351.4 Ų51.48%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-120.1149.5163.2-66.10000110.6V123 S124 I163 V165 V170 H173V123-V137 CarbonylContact C-O 3.56Å; V123-V137 WeakPolarHBondContact CA-O 3.39Å; S124-V137 PolarHBondContact N-O 2.82Å; S124-V137 PolarHBondContact O-N 2.93Å; V137-I163 CarbonylContact C-O 3.53Å; V137-I163 VanDerWaalsContact CA-O 3.3Å; V137-I163 WeakPolarHBondContact CA-O 3.39Å; V137-V165 HydrophobicContact CB-CG1 4.34Å; V137-V165 HydrophobicContact CB-CG2 3.67Å; V137-V165 HydrophobicContact CG1-CG1 4.02Å; V137-V165 HydrophobicContact CG1-CG2 4.14Å; V137-V165 HydrophobicContact CG2-CG2 4.16Å; V137-V170 HydrophobicContact CG2-CG2 4.22Å; V137-H173 HydrophobicContact CG1-CB 4.2Å; V137-H173 WeakPolarHBondContact CG1-ND1 3.41Å; V137-H173 HydrophobicContact CG2-CB 3.64Å; V137-H173 VanDerWaalsContact CG2-CG 3.44Å
138M97.7Very high97.1Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-127.2139.6-179.5178.7-178.968.900110.2L121 R122 V123 A149 L152 Q153 I163 E164 V165L121-M138 HydrophobicContact CD2-CE 4.35Å; L121-M138 HydrophobicContact CD2-CG 4.04Å; L121-M138 HydrophobicContact CD2-SD 3.5Å; L121-M138 VanDerWaalsContact CD2-SD 3.5Å; R122-M138 CarbonylContact O-C 3.55Å; R122-M138 VanDerWaalsContact O-CA 3.29Å; R122-M138 WeakPolarHBondContact O-CA 3.43Å; V123-M138 HydrophobicContact CG2-CB 4.21Å; V123-M138 HydrophobicContact CG2-CG 4.02Å; M138-A149 HydrophobicContact CE-CB 3.54Å; M138-L152 HydrophobicContact CG-CD2 4.42Å; M138-L152 HydrophobicContact SD-CB 3.94Å; M138-L152 HydrophobicContact SD-CD2 3.61Å; M138-L152 HydrophobicContact SD-CG 3.88Å; M138-Q153 HydrophobicContact CE-CB 4.45Å; M138-I163 PolarHBondContact N-O 2.82Å; M138-E164 HydrophobicContact CE-CB 4.04Å; M138-E164 HydrophobicContact CE-CG 4.22Å; M138-E164 CarbonylContact O-C 3.5Å; M138-E164 VanDerWaalsContact O-CA 3.32Å; M138-E164 WeakPolarHBondContact O-CA 3.37Å; M138-V165 PolarHBondContact O-N 3.45Å
139A98.1Very high97.1Very high1 Ų146.5 Ų46.51%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-129.2146.5171.400000109.8L107 L121 R122 E167 V170L107-A139 HydrophobicContact CD1-CB 3.91Å; L121-A139 WeakPolarHBondContact CA-O 3.45Å; R122-A139 PolarHBondContact N-O 2.99Å; R122-A139 PolarHBondContact O-N 2.9Å; A139-E167 HydrophobicContact CB-CB 3.9Å; A139-E167 HydrophobicContact CB-CG 4.32Å; A139-V170 HydrophobicContact CB-CG2 4.42Å
140R97.8Very high97.1Very high76 Ų7651.8 Ų51.829%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-101.4138.6-178.4-73.6-172.8-74.9176.6-7.9112.3L107 L121 A144 G145 N146 A149 E164L107-R140 VanDerWaalsContact CD1-C 3.42Å; L107-R140 WeakPolarHBondContact CD1-O 3.28Å; L121-R140 HydrophobicContact CD2-CG 3.87Å; L121-R140 HydrophobicContact CG-CG 4.36Å; R140-A144 HydrophobicContact CB-CB 4.16Å; R140-A144 HydrophobicContact CG-CB 4.13Å; R140-G145 WeakPolarHBondContact CD-O 3.29Å; R140-G145 VanDerWaalsContact NH1-C 3.32Å; R140-G145 PolarHBondContact NH1-O 3Å; R140-N146 PolarHBondContact NH1-OD1 3.07Å; R140-N146 PolarHBondContact NH2-OD1 3.45Å; R140-A149 HydrophobicContact CG-CB 4.17Å; R140-E164 IonicContact CZ-OE1 2.89Å; R140-E164 IonicContact CZ-OE2 2.8Å; R140-E164 IonicContact NE-OE1 3.03Å; R140-E164 PolarHBondContact NE-OE1 2.74Å; R140-E164 IonicContact NE-OE2 2.72Å; R140-E164 IonicContact NH2-OE1 3.73Å; R140-E164 PolarHBondContact NH2-OE1 3.15Å; R140-E164 IonicContact NH2-OE2 2.71Å
141G97.5Very high97.2Very high10 Ų1051.7 Ų51.710%0.10328%0.275CS..  trans-71.5177.5163.200000111.8E111 V120 H143 A144E111-G141 WeakPolarHBondContact OE1-CA 3.47Å; V120-G141 PolarHBondContact O-N 3.21Å; G141-H143 PolarHBondContact O-N 3.16Å; G141-A144 PolarHBondContact O-N 3.28Å
142H97.2Very high97.3Very high161 Ų16147 Ų4775%0.74525%0.247SC*.THydrogen-bonded Turntrans-63.1-26.6-172.9-66.690.9000113.9E111E111-H142 IonicContact OE1-CG 3.15Å; E111-H142 PolarHBondContact OE1-N 3.27Å; E111-H142 IonicContact OE1-ND1 3.78Å; E111-H142 PolarHBondContact OE1-ND1 2.79Å; E111-H142 IonicContact OE2-CE1 2.77Å; E111-H142 PolarHBondContact OE2-CE1 2.81Å; E111-H142 IonicContact OE2-CG 3.37Å; E111-H142 IonicContact OE2-ND1 3.96Å; E111-H142 PolarHBondContact OE2-ND1 2.84Å
143H97.3Very high97.3Very high93 Ų9348.1 Ų48.143%0.43125%0.252SS..THydrogen-bonded Turntrans-109.7-3.2-172.8-57.690.6000113.8G141G141-H143 PolarHBondContact O-N 3.16Å
144A97.6Very high97.3Very high9 Ų946.9 Ų46.97%0.07425%0.248CC..  trans-80.2123.4174.400000110.2V120 L121 R140 G141V120-A144 WeakPolarHBondContact O-CB 3.28Å; L121-A144 HydrophobicContact CD1-CB 4.06Å; L121-A144 HydrophobicContact CG-CB 4.05Å; R140-A144 HydrophobicContact CB-CB 4.16Å; R140-A144 HydrophobicContact CG-CB 4.13Å; G141-A144 PolarHBondContact O-N 3.28Å
145G95.9Very high97.3Very high33 Ų3347.1 Ų47.134%0.3425%0.248SC..  trans-80.2-177.2-178.900000113.6R140 D148 A149R140-G145 WeakPolarHBondContact CD-O 3.29Å; R140-G145 VanDerWaalsContact NH1-C 3.32Å; R140-G145 PolarHBondContact NH1-O 3Å; G145-D148 PolarHBondContact N-OD2 3.46Å; G145-A149 PolarHBondContact O-N 3.27Å
146N96.9Very high97.3Very high98 Ų9845.8 Ų45.852%0.52424%0.237SC..Hα-helixtrans-67.1-43.9172.2-70.4-15000110.7R140 D148 A149 E150R140-N146 PolarHBondContact NH1-OD1 3.07Å; R140-N146 PolarHBondContact NH2-OD1 3.45Å; N146-D148 VanDerWaalsContact C-N 3.25Å; N146-D148 PolarHBondContact O-N 3.25Å; N146-A149 PolarHBondContact O-N 3.44Å; N146-A149 VanDerWaalsContact O-N 3.07Å; N146-E150 WeakPolarHBondContact O-CG 3.38Å; N146-E150 PolarHBondContact O-N 3.06Å
147D96.9Very high97.3Very high129 Ų12950.2 Ų50.269%0.6926%0.258SS*.Hα-helixtrans-58.7-36.7-179.9-58.4-3.6000112.2L151D147-L151 WeakPolarHBondContact O-CB 3.39Å; D147-L151 PolarHBondContact O-N 3.3Å
148D97.2Very high97.2Very high14 Ų1450.4 Ų50.48%0.07526%0.261CS..Hα-helixtrans-67.1-42.8176.6-56.5-50.1000111.6I97 R119 L121 G145 N146 L152I97-D148 HydrophobicContact CD1-CB 4.35Å; I97-D148 VanDerWaalsContact CD1-OD1 3.28Å; I97-D148 WeakPolarHBondContact CD1-OD1 3.39Å; I97-D148 HydrophobicContact CG2-CB 4.48Å; R119-D148 WeakPolarHBondContact CD-OD2 3.39Å; R119-D148 IonicContact CZ-OD1 3.98Å; R119-D148 IonicContact NE-OD1 3.63Å; R119-D148 IonicContact NH1-OD1 3.94Å; R119-D148 PolarHBondContact NH1-OD1 2.79Å; L121-D148 HydrophobicContact CD1-CB 4.2Å; G145-D148 PolarHBondContact N-OD2 3.46Å; N146-D148 VanDerWaalsContact C-N 3.25Å; N146-D148 PolarHBondContact O-N 3.25Å; D148-L152 WeakPolarHBondContact O-CB 3.49Å; D148-L152 PolarHBondContact O-N 3.33Å
149A97.3Very high97.2Very high2 Ų250.4 Ų50.42%0.01726%0.261CS..Hα-helixtrans-68.4-45.3177.400000112L121 M138 R140 G145 N146 L151 L152 Q153L121-A149 HydrophobicContact CD2-CB 4.21Å; M138-A149 HydrophobicContact CE-CB 3.54Å; R140-A149 HydrophobicContact CG-CB 4.17Å; G145-A149 PolarHBondContact O-N 3.27Å; N146-A149 PolarHBondContact O-N 3.44Å; N146-A149 VanDerWaalsContact O-N 3.07Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.18Å; A149-L152 PolarHBondContact O-N 3.43Å; A149-Q153 VanDerWaalsContact O-CB 3.25Å; A149-Q153 WeakPolarHBondContact O-CB 3.25Å; A149-Q153 PolarHBondContact O-N 3.27Å
150E97.5Very high97.1Very high110 Ų11051 Ų5151%0.51427%0.267SS..Hα-helixtrans-62.2-42.4177-72.4-179.4-166.800110.9N146 N154N146-E150 WeakPolarHBondContact O-CG 3.38Å; N146-E150 PolarHBondContact O-N 3.06Å; E150-N154 VanDerWaalsContact O-CB 3.28Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 VanDerWaalsContact O-CG 3.27Å; E150-N154 PolarHBondContact O-N 3.07Å; E150-N154 PolarHBondContact O-ND2 3.18Å
151L97.1Very high97Very high56 Ų5652.9 Ų52.929%0.29328%0.279SS..Hα-helixtrans-58.4-52.5173.5175.262.1000111L9 I97 D147 A149 Q153 N154 L155L9-L151 HydrophobicContact CD1-CD2 4.45Å; L9-L151 HydrophobicContact CD2-CD1 4.14Å; I97-L151 HydrophobicContact CD1-CD2 3.89Å; D147-L151 WeakPolarHBondContact O-CB 3.39Å; D147-L151 PolarHBondContact O-N 3.3Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.18Å; L151-Q153 PolarHBondContact O-N 2.87Å; L151-N154 PolarHBondContact O-N 3.5Å; L151-L155 HydrophobicContact CD1-CD1 4.11Å; L151-L155 HydrophobicContact CD1-CG 4.35Å; L151-L155 HydrophobicContact CG-CD1 4.15Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.47Å; L151-L155 PolarHBondContact O-N 2.86Å; L151-L155 VanDerWaalsContact O-N 3.08Å
152L97.8Very high97Very high1 Ų152.5 Ų52.51%0.00528%0.275CS..Hα-helixtrans-65.6-39.8-176.7-174.756.5000112V99 L121 V123 M138 D148 A149 L155 L156V99-L152 HydrophobicContact CB-CD2 4.31Å; V99-L152 HydrophobicContact CG1-CD1 4.46Å; V99-L152 HydrophobicContact CG1-CD2 3.77Å; V99-L152 HydrophobicContact CG2-CD1 4.03Å; V99-L152 HydrophobicContact CG2-CD2 3.52Å; V99-L152 HydrophobicContact CG2-CG 4.43Å; L121-L152 HydrophobicContact CB-CD2 3.86Å; L121-L152 HydrophobicContact CD1-CD2 4.41Å; L121-L152 HydrophobicContact CD2-CD2 3.91Å; L121-L152 HydrophobicContact CG-CD2 4.27Å; V123-L152 HydrophobicContact CG2-CD2 3.75Å; M138-L152 HydrophobicContact CG-CD2 4.42Å; M138-L152 HydrophobicContact SD-CB 3.94Å; M138-L152 HydrophobicContact SD-CD2 3.61Å; M138-L152 HydrophobicContact SD-CG 3.88Å; D148-L152 WeakPolarHBondContact O-CB 3.49Å; D148-L152 PolarHBondContact O-N 3.33Å; A149-L152 PolarHBondContact O-N 3.43Å; L152-L155 PolarHBondContact O-N 2.84Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CD2 4.46Å; L152-L156 HydrophobicContact CD1-CG 3.85Å; L152-L156 HydrophobicContact CD2-CD1 4.39Å; L152-L156 HydrophobicContact CG-CD1 3.76Å; L152-L156 HydrophobicContact CG-CG 4.21Å; L152-L156 WeakPolarHBondContact O-CB 3.49Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.2Å; L152-L156 PolarHBondContact O-N 2.83Å
153Q97.6Very high96.9Very high56 Ų5648.6 Ų48.626%0.26226%0.258SS..Hα-helixtrans-60.5-50.9175-174.4175.725.300111M138 A149 L151 L155 L156 E157 C162M138-Q153 HydrophobicContact CE-CB 4.45Å; A149-Q153 VanDerWaalsContact O-CB 3.25Å; A149-Q153 WeakPolarHBondContact O-CB 3.25Å; A149-Q153 PolarHBondContact O-N 3.27Å; L151-Q153 PolarHBondContact O-N 2.87Å; Q153-L155 PolarHBondContact O-N 3.19Å; Q153-L156 PolarHBondContact O-N 2.72Å; Q153-E157 WeakPolarHBondContact O-CG 3.37Å; Q153-E157 PolarHBondContact O-N 3.37Å; Q153-C162 HydrophobicContact CG-CB 4.47Å; Q153-C162 PolarHBondContact NE2-O 2.99Å
154N96.9Very high96.9Very high81 Ų8147.8 Ų47.843%0.43326%0.255SS..Hα-helixtrans-58.9-30.8178.6-81.7-52.3000113.5K32 E150 L151K32-N154 WeakPolarHBondContact CE-O 2.88Å; K32-N154 PolarHBondContact NZ-O 3.2Å; E150-N154 VanDerWaalsContact O-CB 3.28Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 VanDerWaalsContact O-CG 3.27Å; E150-N154 PolarHBondContact O-N 3.07Å; E150-N154 PolarHBondContact O-ND2 3.18Å; L151-N154 PolarHBondContact O-N 3.5Å
155L97.4Very high96.9Very high10 Ų1048.7 Ų48.75%0.05226%0.26CS..Hα-helixtrans-74.5-54.4173.9-70.7172.7000110.5L9 L27 K32 V33 L71 L151 L152 Q153 E157 A158L9-L155 HydrophobicContact CD2-CD1 3.91Å; L9-L155 HydrophobicContact CD2-CD2 4.29Å; L27-L155 VanDerWaalsContact CD2-C 3.47Å; L27-L155 HydrophobicContact CD2-CB 3.7Å; L27-L155 HydrophobicContact CD2-CD2 4.21Å; L27-L155 WeakPolarHBondContact CD2-O 3.27Å; K32-L155 HydrophobicContact CB-CD2 3.93Å; V33-L155 HydrophobicContact CG1-CD2 4.37Å; L71-L155 HydrophobicContact CD2-CD1 3.39Å; L151-L155 HydrophobicContact CD1-CD1 4.11Å; L151-L155 HydrophobicContact CD1-CG 4.35Å; L151-L155 HydrophobicContact CG-CD1 4.15Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.47Å; L151-L155 PolarHBondContact O-N 2.86Å; L151-L155 VanDerWaalsContact O-N 3.08Å; L152-L155 PolarHBondContact O-N 2.84Å; Q153-L155 PolarHBondContact O-N 3.19Å; L155-E157 PolarHBondContact O-N 2.78Å; L155-A158 WeakPolarHBondContact O-CB 3.47Å; L155-A158 PolarHBondContact O-N 2.76Å
156L97.4Very high97Very high4 Ų450.6 Ų50.62%0.02127%0.266CS..Hα-helixtrans-68.1-20.2-174.6-67.9179.1000113.6I23 V123 M136 L152 Q153 A158 C159 C162I23-L156 HydrophobicContact CG2-CD2 3.98Å; V123-L156 HydrophobicContact CB-CD1 4.45Å; V123-L156 HydrophobicContact CG1-CD1 3.78Å; V123-L156 HydrophobicContact CG2-CD1 3.83Å; M136-L156 HydrophobicContact CE-CB 4.39Å; M136-L156 VanDerWaalsContact CE-O 3.28Å; M136-L156 WeakPolarHBondContact CE-O 3.41Å; M136-L156 HydrophobicContact SD-CB 4.18Å; M136-L156 HydrophobicContact SD-CD2 4.42Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CD2 4.46Å; L152-L156 HydrophobicContact CD1-CG 3.85Å; L152-L156 HydrophobicContact CD2-CD1 4.39Å; L152-L156 HydrophobicContact CG-CD1 3.76Å; L152-L156 HydrophobicContact CG-CG 4.21Å; L152-L156 WeakPolarHBondContact O-CB 3.49Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.2Å; L152-L156 PolarHBondContact O-N 2.83Å; Q153-L156 PolarHBondContact O-N 2.72Å; L156-A158 PolarHBondContact O-N 3.48Å; L156-A158 VanDerWaalsContact O-N 3.09Å; L156-C159 WeakPolarHBondContact O-CA 3.42Å; L156-C159 WeakPolarHBondContact O-CB 3.24Å; L156-C159 PolarHBondContact O-N 2.71Å; L156-C162 HydrophobicContact CB-CB 3.95Å
157E96.4Very high97Very high98 Ų9848.6 Ų48.646%0.45825%0.253SS..G310 helixtrans-55.9-22.7169.2-82.1178.4176.500113.4Q153 L155 C159 G160Q153-E157 WeakPolarHBondContact O-CG 3.37Å; Q153-E157 PolarHBondContact O-N 3.37Å; L155-E157 PolarHBondContact O-N 2.78Å; E157-C159 PolarHBondContact O-N 3.33Å; E157-G160 CarbonylContact C-O 3.55Å; E157-G160 VanDerWaalsContact CA-O 3.23Å; E157-G160 WeakPolarHBondContact CA-O 3.33Å; E157-G160 PolarHBondContact O-N 3.01Å
158A96.6Very high96.9Very high17 Ų1746.3 Ų46.314%0.1425%0.248CC..G310 helixtrans-65-18.1171.500000113.7G26 L27 A30 K32 Q132 L155 L156G26-A158 WeakPolarHBondContact O-CB 3.46Å; L27-A158 HydrophobicContact CD2-CB 4.27Å; A30-A158 HydrophobicContact CB-CB 3.5Å; A30-A158 VanDerWaalsContact CB-CB 3.5Å; K32-A158 HydrophobicContact CG-CB 4.34Å; Q132-A158 PolarHBondContact OE1-O 3.37Å; Q132-A158 VanDerWaalsContact OE1-O 3.14Å; L155-A158 WeakPolarHBondContact O-CB 3.47Å; L155-A158 PolarHBondContact O-N 2.76Å; L156-A158 PolarHBondContact O-N 3.48Å; L156-A158 VanDerWaalsContact O-N 3.09Å
159C96.9Very high96.8Very high0 Ų051.8 Ų51.80%027%0.268CS..G310 helixtrans-107.72.6-176.5-52.40000113.6Q132 G134 M136 L156 E157Q132-C159 CarbonylContact C-O 3.58Å; Q132-C159 VanDerWaalsContact C-O 3.31Å; Q132-C159 CarbonylContact O-C 3.59Å; Q132-C159 VanDerWaalsContact OE1-CA 3.26Å; G134-C159 WeakPolarHBondContact CA-O 3.29Å; G134-C159 PolarHBondContact N-O 3.09Å; M136-C159 HydrophobicContact CE-CB 3.95Å; M136-C159 HydrophobicContact SD-CB 4.28Å; L156-C159 WeakPolarHBondContact O-CA 3.42Å; L156-C159 WeakPolarHBondContact O-CB 3.24Å; L156-C159 PolarHBondContact O-N 2.71Å; E157-C159 PolarHBondContact O-N 3.33Å
160G96.1Very high96.8Very high14 Ų1451.7 Ų51.714%0.14427%0.267CS..EExtended strand (participates in β ladder)trans129.5-156.8-175.200000111.7G134 E157G134-G160 CarbonylContact O-C 3.56Å; G134-G160 VanDerWaalsContact O-CA 3.31Å; G134-G160 WeakPolarHBondContact O-CA 3.5Å; E157-G160 CarbonylContact C-O 3.55Å; E157-G160 VanDerWaalsContact CA-O 3.23Å; E157-G160 WeakPolarHBondContact CA-O 3.33Å; E157-G160 PolarHBondContact O-N 3.01Å
161Q95.7Very high96.6Very high114 Ų11447.7 Ų47.753%0.53325%0.249SC..EExtended strand (participates in β ladder)trans-82.8129.2-179.8-168.8175.528.400111.1G134 M136 I163G134-Q161 PolarHBondContact O-N 2.97Å; M136-Q161 WeakPolarHBondContact CB-O 3.45Å; M136-Q161 PolarHBondContact N-O 3.08Å; Q161-I163 HydrophobicContact CG-CD1 4.18Å; Q161-I163 HydrophobicContact CG-CG1 4.02Å
162C96.8Very high96.5Very high3 Ų348.3 Ų48.32%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-123.5126.7173.1-171.90000110.4M136 Q153 L156M136-C162 HydrophobicContact CB-CB 4.11Å; M136-C162 HydrophobicContact CE-CB 4.27Å; M136-C162 WeakPolarHBondContact O-CA 3.32Å; Q153-C162 HydrophobicContact CG-CB 4.47Å; Q153-C162 PolarHBondContact NE2-O 2.99Å; L156-C162 HydrophobicContact CB-CB 3.95Å
163I96.3Very high96.5Very high78 Ų7849.3 Ų49.340%0.426%0.257SS..EExtended strand (participates in β ladder)trans-127.8131.8-176.8-52.6177.6000109.7M136 V137 M138 Q161 V165M136-I163 PolarHBondContact O-N 2.89Å; M136-I163 VanDerWaalsContact O-N 3.14Å; V137-I163 CarbonylContact C-O 3.53Å; V137-I163 VanDerWaalsContact CA-O 3.3Å; V137-I163 WeakPolarHBondContact CA-O 3.39Å; M138-I163 PolarHBondContact N-O 2.82Å; Q161-I163 HydrophobicContact CG-CD1 4.18Å; Q161-I163 HydrophobicContact CG-CG1 4.02Å; I163-V165 HydrophobicContact CG2-CG1 4.21Å
164E97.8Very high96.3Very high77 Ų7748.4 Ų48.436%0.3626%0.255SS..EExtended strand (participates in β ladder)trans-72.4132.1169.5-168.7-175.1162.200110.8M138 R140M138-E164 HydrophobicContact CE-CB 4.04Å; M138-E164 HydrophobicContact CE-CG 4.22Å; M138-E164 CarbonylContact O-C 3.5Å; M138-E164 VanDerWaalsContact O-CA 3.32Å; M138-E164 WeakPolarHBondContact O-CA 3.37Å; R140-E164 IonicContact CZ-OE1 2.89Å; R140-E164 IonicContact CZ-OE2 2.8Å; R140-E164 IonicContact NE-OE1 3.03Å; R140-E164 PolarHBondContact NE-OE1 2.74Å; R140-E164 IonicContact NE-OE2 2.72Å; R140-E164 IonicContact NH2-OE1 3.73Å; R140-E164 PolarHBondContact NH2-OE1 3.15Å; R140-E164 IonicContact NH2-OE2 2.71Å
165V97.6Very high96.3Very high28 Ų2844.6 Ų44.617%0.1724%0.235CC..  trans-141.7160.7-178.8-59.30000111V137 M138 I163 Y169V137-V165 HydrophobicContact CB-CG1 4.34Å; V137-V165 HydrophobicContact CB-CG2 3.67Å; V137-V165 HydrophobicContact CG1-CG1 4.02Å; V137-V165 HydrophobicContact CG1-CG2 4.14Å; V137-V165 HydrophobicContact CG2-CG2 4.16Å; M138-V165 PolarHBondContact O-N 3.45Å; I163-V165 HydrophobicContact CG2-CG1 4.21Å; V165-Y169 HydrophobicContact CB-CD2 4.17Å
166P97.1Very high96.3Very high72 Ų7248.9 Ų48.947%0.46826%0.257SS..  trans-56140.5163.6-23.534.2000111.2S168 Y169P166-S168 PolarHBondContact O-N 3.26Å; P166-Y169 HydrophobicContact CG-CD2 4.35Å; P166-Y169 HydrophobicContact CG-CE2 4.24Å; P166-Y169 WeakPolarHBondContact O-CB 3.47Å; P166-Y169 PolarHBondContact O-N 3.37Å
167E96.4Very high96.2Very high57 Ų5749.4 Ų49.427%0.26626%0.261SS..G310 helixtrans-56.5-30.6-178.6-171.6179.4-16000112.8S106 L107 R122 A139 Y169 V170S106-E167 VanDerWaalsContact CA-OE1 3.24Å; S106-E167 WeakPolarHBondContact CA-OE1 3.47Å; L107-E167 HydrophobicContact CD1-CB 4.15Å; L107-E167 HydrophobicContact CD1-CG 4.17Å; L107-E167 PolarHBondContact N-OE1 3.11Å; R122-E167 WeakPolarHBondContact CD-OE1 3.41Å; R122-E167 IonicContact CZ-OE1 3.95Å; R122-E167 IonicContact NH1-OE1 3.64Å; R122-E167 PolarHBondContact NH1-OE1 3.18Å; A139-E167 HydrophobicContact CB-CB 3.9Å; A139-E167 HydrophobicContact CB-CG 4.32Å; E167-Y169 PolarHBondContact O-N 3.02Å; E167-V170 HydrophobicContact CG-CG2 4.36Å; E167-V170 WeakPolarHBondContact O-CB 3.43Å; E167-V170 WeakPolarHBondContact O-CG2 3.31Å; E167-V170 PolarHBondContact O-N 3.47Å
168S94.3Very high96Very high81 Ų8146.3 Ų46.357%0.56626%0.256SS*.G310 helixtrans-59.1-17.5176.360.70000114.2P166P166-S168 PolarHBondContact O-N 3.26Å
169Y96.8Very high95.9Very high129 Ų12947.4 Ų47.451%0.50626%0.262SS..G310 helixtrans-89.1-10175.8-66-4.8000113.3V165 P166 E167 D171 I172 H173V165-Y169 HydrophobicContact CB-CD2 4.17Å; P166-Y169 HydrophobicContact CG-CD2 4.35Å; P166-Y169 HydrophobicContact CG-CE2 4.24Å; P166-Y169 WeakPolarHBondContact O-CB 3.47Å; P166-Y169 PolarHBondContact O-N 3.37Å; E167-Y169 PolarHBondContact O-N 3.02Å; Y169-D171 PolarHBondContact O-N 3.26Å; Y169-I172 HydrophobicContact CD1-CD1 3.91Å; Y169-I172 WeakPolarHBondContact O-CB 3.22Å; Y169-I172 PolarHBondContact O-N 3.47Å; Y169-H173 WeakPolarHBondContact O-CB 3.47Å; Y169-H173 PolarHBondContact O-N 2.9Å
170V95.7Very high96Very high0 Ų048 Ų480%027%0.268CS..Hα-helixtrans-65.2-39.2-178.5177.70000112V137 A139 E167 I172 H173 T174V137-V170 HydrophobicContact CG2-CG2 4.22Å; A139-V170 HydrophobicContact CB-CG2 4.42Å; E167-V170 HydrophobicContact CG-CG2 4.36Å; E167-V170 WeakPolarHBondContact O-CB 3.43Å; E167-V170 WeakPolarHBondContact O-CG2 3.31Å; E167-V170 PolarHBondContact O-N 3.47Å; V170-I172 VanDerWaalsContact C-N 3.33Å; V170-H173 WeakPolarHBondContact O-CB 3.45Å; V170-H173 PolarHBondContact O-N 2.98Å; V170-T174 PolarHBondContact O-N 3.42Å; V170-T174 PolarHBondContact O-OG1 3.31Å
171D93.5Very high96Very high25 Ų2549.1 Ų49.113%0.13427%0.272CS..Hα-helixtrans-68.6-35.1175.7-67.3-27.6000111.5Y169 T174 G175 A268 K269 S272Y169-D171 PolarHBondContact O-N 3.26Å; D171-T174 WeakPolarHBondContact O-CB 3.44Å; D171-T174 PolarHBondContact O-N 3.46Å; D171-G175 PolarHBondContact O-N 3.48Å; D171-G175 VanDerWaalsContact O-N 3.07Å; D171-A268 HydrophobicContact CB-CB 4.06Å; D171-K269 HydrophobicContact CB-CG 3.82Å; D171-K269 WeakPolarHBondContact OD2-CG 3.28Å; D171-S272 PolarHBondContact OD1-OG 2.93Å
172I96.5Very high96.1Very high70 Ų7046.4 Ų46.436%0.35927%0.269SS..Hα-helixtrans-65-45.9174.3-54.7176.7000109.8Y169 V170 T174 G175 L176 T265Y169-I172 HydrophobicContact CD1-CD1 3.91Å; Y169-I172 WeakPolarHBondContact O-CB 3.22Å; Y169-I172 PolarHBondContact O-N 3.47Å; V170-I172 VanDerWaalsContact C-N 3.33Å; I172-T174 VanDerWaalsContact C-N 3.28Å; I172-T174 PolarHBondContact O-N 3.4Å; I172-G175 PolarHBondContact O-N 2.99Å; I172-L176 WeakPolarHBondContact O-CB 3.44Å; I172-L176 PolarHBondContact O-N 3Å; I172-T265 HydrophobicContact CB-CG2 4.4Å; I172-T265 HydrophobicContact CG1-CG2 3.97Å
173H96.6Very high96.2Very high22 Ų2249.9 Ų49.910%0.10228%0.284CS..Hα-helixtrans-58.3-41.2174.3-179.584.9000111.5S124 A135 V137 Y169 V170 G175 L176 S177 G178S124-H173 PolarHBondContact O-CD2 3.44Å; S124-H173 PolarHBondContact O-NE2 3.43Å; A135-H173 PolarHBondContact O-CE1 3.47Å; A135-H173 PolarHBondContact O-NE2 3.47Å; V137-H173 HydrophobicContact CG1-CB 4.2Å; V137-H173 WeakPolarHBondContact CG1-ND1 3.41Å; V137-H173 HydrophobicContact CG2-CB 3.64Å; V137-H173 VanDerWaalsContact CG2-CG 3.44Å; Y169-H173 WeakPolarHBondContact O-CB 3.47Å; Y169-H173 PolarHBondContact O-N 2.9Å; V170-H173 WeakPolarHBondContact O-CB 3.45Å; V170-H173 PolarHBondContact O-N 2.98Å; H173-G175 VanDerWaalsContact C-N 3.34Å; H173-G175 PolarHBondContact O-N 3.36Å; H173-L176 CarbonylContact O-C 3.54Å; H173-L176 PolarHBondContact O-N 2.98Å; H173-L176 VanDerWaalsContact O-N 3.14Å; H173-S177 PolarHBondContact CD2-OG 3.14Å; H173-S177 PolarHBondContact CE1-OG 2.83Å; H173-S177 PolarHBondContact ND1-OG 2.93Å; H173-S177 PolarHBondContact NE2-OG 3.22Å; H173-S177 PolarHBondContact O-N 2.82Å; H173-S177 PolarHBondContact O-OG 2.78Å; H173-G178 PolarHBondContact O-N 3.46Å
174T93.6Very high96.3Very high37 Ų3750 Ų5023%0.22729%0.288CS..Iπ-helixtrans-60.5-42.5176.3-57.20000112V170 D171 I172 L176 G178 S179 A268V170-T174 PolarHBondContact O-N 3.42Å; V170-T174 PolarHBondContact O-OG1 3.31Å; D171-T174 WeakPolarHBondContact O-CB 3.44Å; D171-T174 PolarHBondContact O-N 3.46Å; I172-T174 VanDerWaalsContact C-N 3.28Å; I172-T174 PolarHBondContact O-N 3.4Å; T174-L176 VanDerWaalsContact C-N 3.33Å; T174-G178 PolarHBondContact O-N 2.75Å; T174-S179 PolarHBondContact O-N 3.21Å; T174-S179 PolarHBondContact O-OG 3.23Å; T174-S179 VanDerWaalsContact O-OG 3.05Å; T174-A268 HydrophobicContact CG2-CB 4.04Å
175G96.1Very high96.3Very high0 Ų050 Ų500%030%0.296CS..Iπ-helixtrans-69.2-29.2175.200000113.9D171 I172 H173D171-G175 PolarHBondContact O-N 3.48Å; D171-G175 VanDerWaalsContact O-N 3.07Å; I172-G175 PolarHBondContact O-N 2.99Å; H173-G175 VanDerWaalsContact C-N 3.34Å; H173-G175 PolarHBondContact O-N 3.36Å
176L97.5Very high96.4Very high100 Ų10053 Ų5352%0.52431%0.314SS..Iπ-helixtrans-89.1-66.7-179.2179.562.5000113.2I172 H173 T174 G180 V261I172-L176 WeakPolarHBondContact O-CB 3.44Å; I172-L176 PolarHBondContact O-N 3Å; H173-L176 CarbonylContact O-C 3.54Å; H173-L176 PolarHBondContact O-N 2.98Å; H173-L176 VanDerWaalsContact O-N 3.14Å; T174-L176 VanDerWaalsContact C-N 3.33Å; L176-G180 WeakPolarHBondContact O-CA 3.35Å; L176-G180 PolarHBondContact O-N 3.18Å; L176-V261 HydrophobicContact CB-CG1 4.33Å; L176-V261 HydrophobicContact CD1-CG2 4.04Å
177S95.4Very high96.4Very high16 Ų1653 Ų5311%0.11231%0.307CS..Iπ-helixtrans-86.4-38.5-171.573.30000112.7N126 H173N126-S177 PolarHBondContact ND2-O 3.13Å; H173-S177 PolarHBondContact CD2-OG 3.14Å; H173-S177 PolarHBondContact CE1-OG 2.83Å; H173-S177 PolarHBondContact ND1-OG 2.93Å; H173-S177 PolarHBondContact NE2-OG 3.22Å; H173-S177 PolarHBondContact O-N 2.82Å; H173-S177 PolarHBondContact O-OG 2.78Å
178G92Very high96.5Very high33 Ų3351.2 Ų51.234%0.3430%0.301SS..Iπ-helixtrans-70.2-56.8-177.100000110.2H173 T174 G180H173-G178 PolarHBondContact O-N 3.46Å; T174-G178 PolarHBondContact O-N 2.75Å; G178-G180 VanDerWaalsContact C-N 3.33Å
179S96.5Very high96.7Very high40 Ų4052.1 Ų52.128%0.2830%0.296SS..Hα-helixtrans-71.8-28174.8-51.80000112.4T174 V181 A182 F183T174-S179 PolarHBondContact O-N 3.21Å; T174-S179 PolarHBondContact O-OG 3.23Å; T174-S179 VanDerWaalsContact O-OG 3.05Å; S179-V181 PolarHBondContact O-N 2.91Å; S179-V181 VanDerWaalsContact O-N 3.12Å; S179-A182 WeakPolarHBondContact O-CB 3.43Å; S179-A182 PolarHBondContact O-N 2.86Å; S179-F183 PolarHBondContact O-N 2.8Å
180G97.4Very high96.8Very high12 Ų1248.6 Ų48.612%0.12429%0.293CS..Hα-helixtrans-57.3-27.4-179.200000115.2L176 G178 A182 F183 V184L176-G180 WeakPolarHBondContact O-CA 3.35Å; L176-G180 PolarHBondContact O-N 3.18Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G180-A182 VanDerWaalsContact C-N 3.27Å; G180-A182 PolarHBondContact O-N 2.84Å; G180-F183 PolarHBondContact O-N 3.35Å; G180-F183 VanDerWaalsContact O-N 3.14Å; G180-V184 WeakPolarHBondContact O-CG2 3.48Å; G180-V184 PolarHBondContact O-N 2.86Å
181V96.8Very high96.9Very high37 Ų3751.8 Ų51.822%0.22431%0.31CS..Hα-helixtrans-56.1-46.3174.2-176.80000110.5L127 P128 S179 V184 C185L127-V181 HydrophobicContact CB-CG2 4.28Å; L127-V181 HydrophobicContact CD2-CG1 4.38Å; P128-V181 HydrophobicContact CG-CG2 4.05Å; S179-V181 PolarHBondContact O-N 2.91Å; S179-V181 VanDerWaalsContact O-N 3.12Å; V181-V184 PolarHBondContact O-N 3.13Å; V181-C185 PolarHBondContact O-N 2.98Å; V181-C185 PolarHBondContact O-SG 3.05Å
182A98.1Very high97.2Very high57 Ų5750.7 Ų50.747%0.47130%0.304SS..Hα-helixtrans-66.2-40.7177.900000111.3S179 G180 V184 C185 T186S179-A182 WeakPolarHBondContact O-CB 3.43Å; S179-A182 PolarHBondContact O-N 2.86Å; G180-A182 VanDerWaalsContact C-N 3.27Å; G180-A182 PolarHBondContact O-N 2.84Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 3.43Å; A182-C185 WeakPolarHBondContact O-CB 3.38Å; A182-C185 PolarHBondContact O-N 3.07Å; A182-T186 PolarHBondContact O-N 3.43Å; A182-T186 PolarHBondContact O-OG1 2.9Å; A182-T186 VanDerWaalsContact O-OG1 3.12Å
183F98.4Very high97.3Very high77 Ų7752.8 Ų52.834%0.33831%0.313SS..Hα-helixtrans-61.7-42.8178.8-50.6-21.5000111.4S179 G180 T186 F187 A260 V261 A264S179-F183 PolarHBondContact O-N 2.8Å; G180-F183 PolarHBondContact O-N 3.35Å; G180-F183 VanDerWaalsContact O-N 3.14Å; F183-T186 PolarHBondContact O-N 3.44Å; F183-F187 WeakPolarHBondContact O-CB 3.36Å; F183-F187 PolarHBondContact O-N 2.71Å; F183-A260 HydrophobicContact CD2-CB 4.4Å; F183-A260 HydrophobicContact CE1-CB 4.24Å; F183-A260 HydrophobicContact CE2-CB 4.02Å; F183-A260 HydrophobicContact CZ-CB 3.94Å; F183-V261 HydrophobicContact CE2-CG2 4.36Å; F183-A264 HydrophobicContact CZ-CB 4.28Å
184V98.2Very high97.4Very high80 Ų8053.5 Ų53.549%0.48533%0.326SS..Hα-helixtrans-66.8-40.5176.5174.30000111.2G180 V181 A182 F187 S188 L213G180-V184 WeakPolarHBondContact O-CG2 3.48Å; G180-V184 PolarHBondContact O-N 2.86Å; V181-V184 PolarHBondContact O-N 3.13Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 3.43Å; V184-F187 PolarHBondContact O-N 3.39Å; V184-S188 WeakPolarHBondContact O-CB 3.29Å; V184-S188 PolarHBondContact O-N 3.49Å; V184-L213 HydrophobicContact CG1-CD1 3.99Å
185C98.1Very high97.6Very high77 Ų7753.1 Ų53.152%0.5233%0.327SS..Hα-helixtrans-59.6-48.4173.8-72.70000111.7V181 A182 F187 S188 E189V181-C185 PolarHBondContact O-N 2.98Å; V181-C185 PolarHBondContact O-SG 3.05Å; A182-C185 WeakPolarHBondContact O-CB 3.38Å; A182-C185 PolarHBondContact O-N 3.07Å; C185-F187 VanDerWaalsContact C-N 3.33Å; C185-F187 PolarHBondContact O-N 3.32Å; C185-S188 WeakPolarHBondContact O-CB 3.35Å; C185-S188 PolarHBondContact O-N 3.21Å; C185-E189 WeakPolarHBondContact O-CB 3.32Å; C185-E189 PolarHBondContact O-N 3.43Å
186T98.5Very high97.8Very high90 Ų9056 Ų5655%0.55234%0.342SS*.Hα-helixtrans-60.6-41.8177.2-60.10000111.7A182 F183 E189 A190A182-T186 PolarHBondContact O-N 3.43Å; A182-T186 PolarHBondContact O-OG1 2.9Å; A182-T186 VanDerWaalsContact O-OG1 3.12Å; F183-T186 PolarHBondContact O-N 3.44Å; T186-E189 PolarHBondContact O-N 3.42Å; T186-A190 WeakPolarHBondContact O-CB 3.3Å; T186-A190 PolarHBondContact O-N 3.44Å
187F98.5Very high97.8Very high74 Ų7460 Ų6033%0.32536%0.355SS..Hα-helixtrans-66-41.4176.3-174.1-115.4000112.1F183 V184 C185 E189 A190 L191 L213 L253F183-F187 WeakPolarHBondContact O-CB 3.36Å; F183-F187 PolarHBondContact O-N 2.71Å; V184-F187 PolarHBondContact O-N 3.39Å; C185-F187 VanDerWaalsContact C-N 3.33Å; C185-F187 PolarHBondContact O-N 3.32Å; F187-E189 VanDerWaalsContact C-N 3.35Å; F187-E189 PolarHBondContact O-N 2.99Å; F187-A190 PolarHBondContact O-N 3.43Å; F187-L191 HydrophobicContact CD1-CD1 4.03Å; F187-L191 HydrophobicContact CE1-CD1 3.64Å; F187-L191 HydrophobicContact CE1-CG 4.24Å; F187-L191 HydrophobicContact CE2-CD2 4.47Å; F187-L191 HydrophobicContact CE2-CG 4.46Å; F187-L191 HydrophobicContact CZ-CD1 4.01Å; F187-L191 HydrophobicContact CZ-CD2 4.17Å; F187-L191 HydrophobicContact CZ-CG 4.19Å; F187-L191 WeakPolarHBondContact O-CG 3.29Å; F187-L191 PolarHBondContact O-N 2.88Å; F187-L213 HydrophobicContact CD1-CD2 3.8Å; F187-L213 HydrophobicContact CE1-CD2 3.96Å; F187-L253 HydrophobicContact CD2-CD1 4.5Å; F187-L253 HydrophobicContact CE2-CD1 4.35Å; F187-L253 HydrophobicContact CE2-CD2 4.36Å
188S98.6Very high98Very high18 Ų1866.9 Ų66.913%0.12639%0.387CS..Hα-helixtrans-60.4-43.8175.4-1650000112.2V184 C185 L191 A192 L213V184-S188 WeakPolarHBondContact O-CB 3.29Å; V184-S188 PolarHBondContact O-N 3.49Å; C185-S188 WeakPolarHBondContact O-CB 3.35Å; C185-S188 PolarHBondContact O-N 3.21Å; S188-L191 PolarHBondContact O-N 2.86Å; S188-A192 PolarHBondContact O-N 2.91Å; S188-L213 VanDerWaalsContact CB-CD1 3.43Å
189E98.5Very high98.3Very high100 Ų10068.5 Ų68.547%0.46740%0.403SS..Hα-helixtrans-61.8-49.3176.4-177.3172.1-139.300111.1C185 T186 F187 L191 A192 E193C185-E189 WeakPolarHBondContact O-CB 3.32Å; C185-E189 PolarHBondContact O-N 3.43Å; T186-E189 PolarHBondContact O-N 3.42Å; F187-E189 VanDerWaalsContact C-N 3.35Å; F187-E189 PolarHBondContact O-N 2.99Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.23Å; E189-A192 WeakPolarHBondContact O-CB 3.43Å; E189-A192 PolarHBondContact O-N 3.36Å; E189-E193 WeakPolarHBondContact O-CG 3.44Å; E189-E193 PolarHBondContact O-N 3.02Å
190A98.5Very high98.4Very high55 Ų5569.8 Ų69.846%0.45541%0.406SS..Hα-helixtrans-59.7-39178.100000112.9T186 F187 G194T186-A190 WeakPolarHBondContact O-CB 3.3Å; T186-A190 PolarHBondContact O-N 3.44Å; F187-A190 PolarHBondContact O-N 3.43Å; A190-G194 PolarHBondContact O-N 3.12Å
191L98.7Very high98.4Very high68 Ų6873.5 Ų73.536%0.35643%0.428SS..Hα-helixtrans-63.7-43.8174-71.4176.8000111.7F187 S188 E189 G194 A195 A209F187-L191 HydrophobicContact CD1-CD1 4.03Å; F187-L191 HydrophobicContact CE1-CD1 3.64Å; F187-L191 HydrophobicContact CE1-CG 4.24Å; F187-L191 HydrophobicContact CE2-CD2 4.47Å; F187-L191 HydrophobicContact CE2-CG 4.46Å; F187-L191 HydrophobicContact CZ-CD1 4.01Å; F187-L191 HydrophobicContact CZ-CD2 4.17Å; F187-L191 HydrophobicContact CZ-CG 4.19Å; F187-L191 WeakPolarHBondContact O-CG 3.29Å; F187-L191 PolarHBondContact O-N 2.88Å; S188-L191 PolarHBondContact O-N 2.86Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.23Å; L191-G194 PolarHBondContact O-N 3.14Å; L191-A195 PolarHBondContact O-N 3.02Å; L191-A209 HydrophobicContact CB-CB 4.2Å
192A98.8Very high98.5Very high1 Ų174.8 Ų74.81%0.00844%0.439CS..Hα-helixtrans-65-44.4178.600000111.6S188 E189 G194 A195 I196 A205 H206 A209S188-A192 PolarHBondContact O-N 2.91Å; E189-A192 WeakPolarHBondContact O-CB 3.43Å; E189-A192 PolarHBondContact O-N 3.36Å; A192-G194 VanDerWaalsContact C-N 3.31Å; A192-G194 PolarHBondContact O-N 2.97Å; A192-A195 PolarHBondContact O-N 3.37Å; A192-A195 VanDerWaalsContact O-N 3.13Å; A192-I196 VanDerWaalsContact O-CG1 3.29Å; A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3Å; A192-A205 HydrophobicContact CB-CB 4.11Å; A192-H206 WeakPolarHBondContact CB-ND1 3.3Å; A192-A209 HydrophobicContact CB-CB 4.21Å
193E98.6Very high98.5Very high114 Ų11474.2 Ų74.253%0.53344%0.438SS..Hα-helixtrans-60.7-40.1175-71.2-175.1164.200112.2E189 A195 I196 K197E189-E193 WeakPolarHBondContact O-CG 3.44Å; E189-E193 PolarHBondContact O-N 3.02Å; E193-A195 VanDerWaalsContact C-N 3.35Å; E193-A195 PolarHBondContact O-N 3.43Å; E193-I196 PolarHBondContact O-N 2.75Å; E193-K197 WeakPolarHBondContact O-CB 3.33Å; E193-K197 PolarHBondContact O-N 2.97Å
194G98.7Very high98.5Very high37 Ų3774 Ų7438%0.38144%0.44SS..Hα-helixtrans-57.3-45.4171.700000112.4A190 L191 A192 K197 M198A190-G194 PolarHBondContact O-N 3.12Å; L191-G194 PolarHBondContact O-N 3.14Å; A192-G194 VanDerWaalsContact C-N 3.31Å; A192-G194 PolarHBondContact O-N 2.97Å; G194-K197 WeakPolarHBondContact O-CB 3.01Å; G194-K197 PolarHBondContact O-N 3.34Å; G194-M198 WeakPolarHBondContact O-CG 3.46Å; G194-M198 PolarHBondContact O-N 3.08Å
195A98.8Very high98.6Very high29 Ų2970.3 Ų70.324%0.2442%0.418CS..Hα-helixtrans-67.8-37.7177.200000112.8L191 A192 E193 K197 M198 G199 M200 A205L191-A195 PolarHBondContact O-N 3.02Å; A192-A195 PolarHBondContact O-N 3.37Å; A192-A195 VanDerWaalsContact O-N 3.13Å; E193-A195 VanDerWaalsContact C-N 3.35Å; E193-A195 PolarHBondContact O-N 3.43Å; A195-K197 VanDerWaalsContact C-N 3.35Å; A195-M198 CarbonylContact O-C 3.59Å; A195-M198 PolarHBondContact O-N 3.46Å; A195-M198 VanDerWaalsContact O-N 3.11Å; A195-G199 PolarHBondContact O-N 3.14Å; A195-M200 HydrophobicContact CB-CB 4.16Å; A195-M200 HydrophobicContact CB-CE 4.42Å; A195-M200 HydrophobicContact CB-SD 4.13Å; A195-M200 VanDerWaalsContact O-CB 3.31Å; A195-M200 WeakPolarHBondContact O-CB 3.47Å; A195-M200 PolarHBondContact O-N 3.12Å; A195-A205 HydrophobicContact CB-CB 4.04Å
196I98.8Very high98.6Very high62 Ų6270.4 Ų70.432%0.31841%0.411SS..Hα-helixtrans-63-43.2175.7-67.7162.2000110.5A192 E193 M198 G199 M200 A205A192-I196 VanDerWaalsContact O-CG1 3.29Å; A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3Å; E193-I196 PolarHBondContact O-N 2.75Å; I196-M198 PolarHBondContact O-N 2.74Å; I196-G199 WeakPolarHBondContact O-CA 3.5Å; I196-G199 PolarHBondContact O-N 3.42Å; I196-M200 WeakPolarHBondContact CA-O 3.35Å; I196-A205 HydrophobicContact CD1-CB 4.33Å; I196-A205 HydrophobicContact CG1-CB 3.84Å
197K98.7Very high98.6Very high184 Ų18474.2 Ų74.280%0.842%0.415SS*.Hα-helixtrans-57.5-29.8174.3-177.2178.8178-178.80112.4E193 G194 A195 G199E193-K197 WeakPolarHBondContact O-CB 3.33Å; E193-K197 PolarHBondContact O-N 2.97Å; G194-K197 WeakPolarHBondContact O-CB 3.01Å; G194-K197 PolarHBondContact O-N 3.34Å; A195-K197 VanDerWaalsContact C-N 3.35Å; K197-G199 VanDerWaalsContact C-N 3.31Å
198M98.7Very high98.6Very high160 Ų16074.9 Ų74.979%0.78842%0.421SS*.THydrogen-bonded Turntrans-87.45175.5-58.6-49.2-59.900114G194 A195 I196G194-M198 WeakPolarHBondContact O-CG 3.46Å; G194-M198 PolarHBondContact O-N 3.08Å; A195-M198 CarbonylContact O-C 3.59Å; A195-M198 PolarHBondContact O-N 3.46Å; A195-M198 VanDerWaalsContact O-N 3.11Å; I196-M198 PolarHBondContact O-N 2.74Å
199G98.6Very high98.6Very high66 Ų6674.4 Ų74.468%0.6842%0.418SS*.THydrogen-bonded Turntrans1027.3173.400000115.6A195 I196 K197A195-G199 PolarHBondContact O-N 3.14Å; I196-G199 WeakPolarHBondContact O-CA 3.5Å; I196-G199 PolarHBondContact O-N 3.42Å; K197-G199 VanDerWaalsContact C-N 3.31Å
200M98.5Very high98.6Very high67 Ų6772.1 Ų72.133%0.3342%0.416SS..  trans-76.6138.7177.1-169.2175.7-68.600111.8A195 I196 S202 L204 A205A195-M200 HydrophobicContact CB-CB 4.16Å; A195-M200 HydrophobicContact CB-CE 4.42Å; A195-M200 HydrophobicContact CB-SD 4.13Å; A195-M200 VanDerWaalsContact O-CB 3.31Å; A195-M200 WeakPolarHBondContact O-CB 3.47Å; A195-M200 PolarHBondContact O-N 3.12Å; I196-M200 WeakPolarHBondContact CA-O 3.35Å; M200-S202 PolarHBondContact O-N 3.46Å; M200-L204 HydrophobicContact CG-CB 4.24Å; M200-L204 HydrophobicContact CG-CD2 4.08Å; M200-L204 HydrophobicContact CG-CG 4.2Å; M200-L204 HydrophobicContact SD-CB 4.37Å; M200-L204 HydrophobicContact SD-CD2 4.19Å; M200-L204 HydrophobicContact SD-CG 3.93Å; M200-A205 HydrophobicContact CB-CB 4.47Å; M200-A205 HydrophobicContact CG-CB 4.17Å; M200-A205 VanDerWaalsContact SD-CA 3.53Å; M200-A205 HydrophobicContact SD-CB 3.86Å
201P98.6Very high98.6Very high91 Ų9174.9 Ų74.959%0.59142%0.42SS*.  trans-60135.4171.2-24.434.4000112.3G203 L204 A205P201-G203 PolarHBondContact O-N 3.07Å; P201-L204 WeakPolarHBondContact O-CB 3.32Å; P201-L204 PolarHBondContact O-N 2.85Å; P201-A205 PolarHBondContact O-N 3.45Å
202S98.3Very high98.6Very high64 Ų6475.2 Ų75.245%0.44842%0.424SS..Hα-helixtrans-51.3-50.1-174.31650000113.8M200 L204 A205 H206M200-S202 PolarHBondContact O-N 3.46Å; S202-L204 PolarHBondContact O-N 3.31Å; S202-A205 PolarHBondContact O-N 2.92Å; S202-A205 VanDerWaalsContact O-N 3.11Å; S202-H206 PolarHBondContact O-CD2 2.93Å; S202-H206 PolarHBondContact O-N 3.05Å; S202-H206 PolarHBondContact OG-CD2 3.18Å
203G98.2Very high98.5Very high45 Ų4577.1 Ų77.146%0.46443%0.434SS..Hα-helixtrans-61.6-30.1-179.700000114P201 R207P201-G203 PolarHBondContact O-N 3.07Å; G203-R207 WeakPolarHBondContact O-CG 3.43Å; G203-R207 PolarHBondContact O-NE 2.91Å
204L98.6Very high98.5Very high71 Ų7175.5 Ų75.537%0.37243%0.429SS..Hα-helixtrans-75.3-44.1173.9-179.860.8000111M200 P201 S202 H206 R207 I208M200-L204 HydrophobicContact CG-CB 4.24Å; M200-L204 HydrophobicContact CG-CD2 4.08Å; M200-L204 HydrophobicContact CG-CG 4.2Å; M200-L204 HydrophobicContact SD-CB 4.37Å; M200-L204 HydrophobicContact SD-CD2 4.19Å; M200-L204 HydrophobicContact SD-CG 3.93Å; P201-L204 WeakPolarHBondContact O-CB 3.32Å; P201-L204 PolarHBondContact O-N 2.85Å; S202-L204 PolarHBondContact O-N 3.31Å; L204-H206 PolarHBondContact O-N 2.92Å; L204-R207 PolarHBondContact O-N 3.38Å; L204-I208 HydrophobicContact CD1-CD1 4.42Å; L204-I208 HydrophobicContact CD1-CG1 3.92Å; L204-I208 HydrophobicContact CG-CG1 4.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.38Å
205A98.7Very high98.4Very high3 Ų375.1 Ų75.13%0.02543%0.425CS..Hα-helixtrans-57.7-49.2-179.400000112.4A192 A195 I196 M200 P201 S202 R207 I208 A209A192-A205 HydrophobicContact CB-CB 4.11Å; A195-A205 HydrophobicContact CB-CB 4.04Å; I196-A205 HydrophobicContact CD1-CB 4.33Å; I196-A205 HydrophobicContact CG1-CB 3.84Å; M200-A205 HydrophobicContact CB-CB 4.47Å; M200-A205 HydrophobicContact CG-CB 4.17Å; M200-A205 VanDerWaalsContact SD-CA 3.53Å; M200-A205 HydrophobicContact SD-CB 3.86Å; P201-A205 PolarHBondContact O-N 3.45Å; S202-A205 PolarHBondContact O-N 2.92Å; S202-A205 VanDerWaalsContact O-N 3.11Å; A205-R207 PolarHBondContact O-N 3.03Å; A205-I208 PolarHBondContact O-N 3.37Å; A205-A209 WeakPolarHBondContact O-CB 3.45Å; A205-A209 PolarHBondContact O-N 3.4Å
206H98.5Very high98.3Very high79 Ų7977 Ų7737%0.36643%0.434SS..Hα-helixtrans-62.1-41.1178.2-71.1-69.9000112.6A192 S202 L204 A209 A210A192-H206 WeakPolarHBondContact CB-ND1 3.3Å; S202-H206 PolarHBondContact O-CD2 2.93Å; S202-H206 PolarHBondContact O-N 3.05Å; S202-H206 PolarHBondContact OG-CD2 3.18Å; L204-H206 PolarHBondContact O-N 2.92Å; H206-A209 PolarHBondContact O-N 3Å; H206-A210 WeakPolarHBondContact O-CB 3.39Å; H206-A210 PolarHBondContact O-N 2.99Å
207R98.4Very high98.1Very high171 Ų17176.2 Ų76.265%0.64544%0.436SS*.Hα-helixtrans-64.4-44.7177.8-73.6-170.4-56.3-129.91.6112.2G203 L204 A205 Q211G203-R207 WeakPolarHBondContact O-CG 3.43Å; G203-R207 PolarHBondContact O-NE 2.91Å; L204-R207 PolarHBondContact O-N 3.38Å; A205-R207 PolarHBondContact O-N 3.03Å; R207-Q211 WeakPolarHBondContact O-CB 3.48Å; R207-Q211 PolarHBondContact O-N 3.2Å
208I98.7Very high97.9Very high88 Ų8871.7 Ų71.745%0.45142%0.416SS..Hα-helixtrans-67.7-39.2178.9-65.5-63.7000111.1L204 A205 Q211 T212L204-I208 HydrophobicContact CD1-CD1 4.42Å; L204-I208 HydrophobicContact CD1-CG1 3.92Å; L204-I208 HydrophobicContact CG-CG1 4.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.38Å; A205-I208 PolarHBondContact O-N 3.37Å; I208-Q211 PolarHBondContact O-N 3.48Å; I208-T212 WeakPolarHBondContact O-CB 3.48Å; I208-T212 PolarHBondContact O-N 2.89Å; I208-T212 PolarHBondContact O-OG1 2.95Å
209A98.6Very high97.7Very high7 Ų767.9 Ų67.96%0.05840%0.398CS..Hα-helixtrans-61.1-48.9175.400000111.5L191 A192 A205 H206 Q211 T212 L213L191-A209 HydrophobicContact CB-CB 4.2Å; A192-A209 HydrophobicContact CB-CB 4.21Å; A205-A209 WeakPolarHBondContact O-CB 3.45Å; A205-A209 PolarHBondContact O-N 3.4Å; H206-A209 PolarHBondContact O-N 3Å; A209-Q211 PolarHBondContact O-N 3.25Å; A209-T212 PolarHBondContact O-N 3.44Å; A209-L213 WeakPolarHBondContact O-CG 3.34Å; A209-L213 PolarHBondContact O-N 2.73Å; A209-L213 VanDerWaalsContact O-N 3.11Å
210A98.3Very high97.5Very high52 Ų5268.1 Ų68.143%0.4338%0.383SS..Hα-helixtrans-60.5-44.4176.700000112.3H206 T212 L213 L214H206-A210 WeakPolarHBondContact O-CB 3.39Å; H206-A210 PolarHBondContact O-N 2.99Å; A210-T212 PolarHBondContact O-N 3.43Å; A210-L213 PolarHBondContact O-N 3.05Å; A210-L214 PolarHBondContact O-N 3.29Å
211Q98.6Very high97.1Very high114 Ų11471 Ų7153%0.53340%0.396SS..Hα-helixtrans-65.9-37.1178.8-17558.856.100112.5R207 I208 A209 L213 L214 G215R207-Q211 WeakPolarHBondContact O-CB 3.48Å; R207-Q211 PolarHBondContact O-N 3.2Å; I208-Q211 PolarHBondContact O-N 3.48Å; A209-Q211 PolarHBondContact O-N 3.25Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L214 PolarHBondContact O-N 3.48Å; Q211-G215 PolarHBondContact O-N 3.11Å
212T98.4Very high96.8Very high74 Ų7474.2 Ų74.245%0.45440%0.403SS..Hα-helixtrans-61.5-44175.5-60.30000110.8I208 A209 A210 T216I208-T212 WeakPolarHBondContact O-CB 3.48Å; I208-T212 PolarHBondContact O-N 2.89Å; I208-T212 PolarHBondContact O-OG1 2.95Å; A209-T212 PolarHBondContact O-N 3.44Å; A210-T212 PolarHBondContact O-N 3.43Å; T212-T216 WeakPolarHBondContact O-CB 3.37Å; T212-T216 PolarHBondContact O-N 3.11Å; T212-T216 PolarHBondContact O-OG1 3.49Å
213L98Very high96.2Very high41 Ų4174.9 Ų74.922%0.21540%0.399CS..Hα-helixtrans-65.3-46.5176.9-66.3172.7000111.8V184 F187 S188 A209 A210 Q211 G215 T216 A217V184-L213 HydrophobicContact CG1-CD1 3.99Å; F187-L213 HydrophobicContact CD1-CD2 3.8Å; F187-L213 HydrophobicContact CE1-CD2 3.96Å; S188-L213 VanDerWaalsContact CB-CD1 3.43Å; A209-L213 WeakPolarHBondContact O-CG 3.34Å; A209-L213 PolarHBondContact O-N 2.73Å; A209-L213 VanDerWaalsContact O-N 3.11Å; A210-L213 PolarHBondContact O-N 3.05Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 2.71Å; L213-T216 PolarHBondContact O-N 3.42Å; L213-A217 WeakPolarHBondContact O-CB 3.47Å; L213-A217 PolarHBondContact O-N 3.4Å
214L97.8Very high95.4Very high81 Ų8176.2 Ų76.242%0.42441%0.412SS..Hα-helixtrans-58.9-49.2178.4177.262.9000112.1A210 Q211 A217 K218A210-L214 PolarHBondContact O-N 3.29Å; Q211-L214 PolarHBondContact O-N 3.48Å; L214-A217 PolarHBondContact O-N 3.08Å; L214-K218 WeakPolarHBondContact O-CG 3.42Å; L214-K218 PolarHBondContact O-N 2.88Å; L214-K218 VanDerWaalsContact O-N 3.08Å
215G96.8Very high94.7Very high28 Ų2876.8 Ų76.829%0.28941%0.412SS..Hα-helixtrans-62.6-44.6179.900000112.1Q211 L213 A217 K218 M219Q211-G215 PolarHBondContact O-N 3.11Å; L213-G215 PolarHBondContact O-N 2.71Å; G215-A217 PolarHBondContact O-N 3.07Å; G215-K218 PolarHBondContact O-N 3.32Å; G215-M219 WeakPolarHBondContact O-CG 3.4Å; G215-M219 PolarHBondContact O-N 3.42Å
216T96.1Very high94.4Very high70 Ų7083.2 Ų83.243%0.42944%0.441SS..Hα-helixtrans-63.7-42.4178.7-53.60000111.6T212 L213 K218 M219 L220T212-T216 WeakPolarHBondContact O-CB 3.37Å; T212-T216 PolarHBondContact O-N 3.11Å; T212-T216 PolarHBondContact O-OG1 3.49Å; L213-T216 PolarHBondContact O-N 3.42Å; T216-K218 VanDerWaalsContact C-N 3.34Å; T216-K218 PolarHBondContact O-N 3.32Å; T216-M219 PolarHBondContact O-N 3.11Å; T216-L220 HydrophobicContact CG2-CD1 4.23Å; T216-L220 WeakPolarHBondContact O-CG 3.35Å; T216-L220 PolarHBondContact O-N 2.93Å
217A95.2Very high94.2Very high44 Ų4483.1 Ų83.136%0.36445%0.447SS..Hα-helixtrans-61.3-42.2176.500000111.8L213 L214 G215 L220 Q221L213-A217 WeakPolarHBondContact O-CB 3.47Å; L213-A217 PolarHBondContact O-N 3.4Å; L214-A217 PolarHBondContact O-N 3.08Å; G215-A217 PolarHBondContact O-N 3.07Å; A217-L220 WeakPolarHBondContact O-CB 3.36Å; A217-L220 PolarHBondContact O-N 3.47Å; A217-Q221 WeakPolarHBondContact O-CG 3.48Å; A217-Q221 PolarHBondContact O-N 3.08Å; A217-Q221 VanDerWaalsContact O-N 3.08Å
218K94.8Very high94Very high89 Ų8976.4 Ų76.439%0.38743%0.429SS..Hα-helixtrans-63-42.7175.5-74.3-174.3173.6-1710112.5L214 G215 T216 L220 Q221 Q222L214-K218 WeakPolarHBondContact O-CG 3.42Å; L214-K218 PolarHBondContact O-N 2.88Å; L214-K218 VanDerWaalsContact O-N 3.08Å; G215-K218 PolarHBondContact O-N 3.32Å; T216-K218 VanDerWaalsContact C-N 3.34Å; T216-K218 PolarHBondContact O-N 3.32Å; K218-L220 VanDerWaalsContact C-N 3.34Å; K218-L220 PolarHBondContact O-N 3.06Å; K218-Q221 PolarHBondContact O-N 3.32Å; K218-Q222 WeakPolarHBondContact O-CB 3.45Å; K218-Q222 VanDerWaalsContact O-CG 3.3Å; K218-Q222 WeakPolarHBondContact O-CG 3.41Å; K218-Q222 PolarHBondContact O-N 2.87Å
219M94.3Very high93.8Very high81 Ų8176.5 Ų76.540%0.39943%0.427SS..Hα-helixtrans-60.7-43.7175.7-68.8177.174.700111.6G215 T216 Q221 Q222 E223 L230G215-M219 WeakPolarHBondContact O-CG 3.4Å; G215-M219 PolarHBondContact O-N 3.42Å; T216-M219 PolarHBondContact O-N 3.11Å; M219-Q221 VanDerWaalsContact C-N 3.3Å; M219-Q221 PolarHBondContact O-N 3.29Å; M219-Q222 PolarHBondContact O-N 2.91Å; M219-E223 WeakPolarHBondContact CE-OE1 3.48Å; M219-E223 WeakPolarHBondContact O-CB 3.31Å; M219-E223 WeakPolarHBondContact O-CG 3.48Å; M219-E223 PolarHBondContact O-N 3.18Å; M219-L230 HydrophobicContact CB-CD1 4.37Å; M219-L230 HydrophobicContact CE-CD2 4.08Å
220L94Very high93.4Very high70 Ų7077 Ų7737%0.36643%0.429SS..Hα-helixtrans-59-40.6176.6-76.6162.4000112.3T216 A217 K218 P227 L230T216-L220 HydrophobicContact CG2-CD1 4.23Å; T216-L220 WeakPolarHBondContact O-CG 3.35Å; T216-L220 PolarHBondContact O-N 2.93Å; A217-L220 WeakPolarHBondContact O-CB 3.36Å; A217-L220 PolarHBondContact O-N 3.47Å; K218-L220 VanDerWaalsContact C-N 3.34Å; K218-L220 PolarHBondContact O-N 3.06Å; L220-P227 HydrophobicContact CD2-CB 3.94Å; L220-P227 HydrophobicContact CD2-CG 3.85Å; L220-L230 HydrophobicContact CB-CD1 4.46Å; L220-L230 HydrophobicContact CD2-CD1 3.57Å; L220-L230 HydrophobicContact CG-CD1 3.82Å
221Q91.1Very high93.2Very high129 Ų12978.5 Ų78.560%0.60342%0.423SS*.Hα-helixtrans-73.4-40.6179.4-72174.1-29.800112.8A217 K218 M219A217-Q221 WeakPolarHBondContact O-CG 3.48Å; A217-Q221 PolarHBondContact O-N 3.08Å; A217-Q221 VanDerWaalsContact O-N 3.08Å; K218-Q221 PolarHBondContact O-N 3.32Å; M219-Q221 VanDerWaalsContact C-N 3.3Å; M219-Q221 PolarHBondContact O-N 3.29Å
222Q91.2Very high92.9Very high157 Ų15776.6 Ų76.673%0.73442%0.419SS*.Hα-helixtrans-85.5-36.3-171.1-69.4176.9-10.100113.6K218 M219K218-Q222 WeakPolarHBondContact O-CB 3.45Å; K218-Q222 VanDerWaalsContact O-CG 3.3Å; K218-Q222 WeakPolarHBondContact O-CG 3.41Å; K218-Q222 PolarHBondContact O-N 2.87Å; M219-Q222 PolarHBondContact O-N 2.91Å
223E86.8Confident92.7Very high79 Ų7977 Ų7737%0.36942%0.419SS..Hα-helixtrans-84.3-16-173.8-64-171.6-149.400113M219 K225 L230M219-E223 WeakPolarHBondContact CE-OE1 3.48Å; M219-E223 WeakPolarHBondContact O-CB 3.31Å; M219-E223 WeakPolarHBondContact O-CG 3.48Å; M219-E223 PolarHBondContact O-N 3.18Å; E223-K225 HydrophobicContact CB-CB 4.45Å; E223-K225 HydrophobicContact CB-CD 4.2Å; E223-K225 HydrophobicContact CB-CG 4.08Å; E223-K225 PolarHBondContact O-N 3.31Å; E223-K225 VanDerWaalsContact OE2-CD 3.32Å; E223-K225 WeakPolarHBondContact OE2-CD 3.35Å; E223-K225 WeakPolarHBondContact OE2-CE 3.41Å; E223-K225 IonicContact OE2-NZ 3.23Å; E223-K225 PolarHBondContact OE2-NZ 3.43Å; E223-L230 WeakPolarHBondContact OE2-CD2 3.25Å
224G80.1Confident92.5Very high72 Ų7279.1 Ų79.174%0.74243%0.433SS*.  trans609.1-178.200000114.3
225K84.8Confident92.3Very high83 Ų8377.5 Ų77.536%0.36143%0.425SS..  trans-76.4147.2-179.3-70.8177.7-175.9166.50110.4E223 Q229 L230 D233E223-K225 HydrophobicContact CB-CB 4.45Å; E223-K225 HydrophobicContact CB-CD 4.2Å; E223-K225 HydrophobicContact CB-CG 4.08Å; E223-K225 PolarHBondContact O-N 3.31Å; E223-K225 VanDerWaalsContact OE2-CD 3.32Å; E223-K225 WeakPolarHBondContact OE2-CD 3.35Å; E223-K225 WeakPolarHBondContact OE2-CE 3.41Å; E223-K225 IonicContact OE2-NZ 3.23Å; E223-K225 PolarHBondContact OE2-NZ 3.43Å; K225-Q229 HydrophobicContact CB-CB 4.44Å; K225-Q229 HydrophobicContact CD-CG 4.15Å; K225-L230 HydrophobicContact CB-CG 4.24Å; K225-L230 HydrophobicContact CD-CD2 4.03Å; K225-L230 HydrophobicContact CD-CG 4.37Å; K225-D233 IonicContact NZ-OD2 2.74Å; K225-D233 PolarHBondContact NZ-OD2 2.89Å
226H92.4Very high92.2Very high138 Ų13880.4 Ų80.464%0.63944%0.437SS*.  trans-58.2136.5168.6-172.3-87.9000110.2A228 Q229 L230H226-A228 VanDerWaalsContact ND1-CB 3.28Å; H226-A228 WeakPolarHBondContact ND1-CB 3.45Å; H226-A228 PolarHBondContact ND1-N 3.46Å; H226-A228 VanDerWaalsContact ND1-N 3.18Å; H226-A228 PolarHBondContact O-N 2.91Å; H226-Q229 WeakPolarHBondContact O-CA 3.43Å; H226-Q229 VanDerWaalsContact O-CB 3.32Å; H226-Q229 WeakPolarHBondContact O-CB 3.28Å; H226-Q229 PolarHBondContact O-N 3.37Å; H226-L230 PolarHBondContact O-N 3.03Å
227P93.8Very high92.2Very high77 Ų7783.3 Ų83.350%0.546%0.457SS..Hα-helixtrans-55.5-31.4-176.2-27.233000114.4L220 Q229 L230 R231L220-P227 HydrophobicContact CD2-CB 3.94Å; L220-P227 HydrophobicContact CD2-CG 3.85Å; P227-Q229 PolarHBondContact O-N 2.98Å; P227-L230 PolarHBondContact O-N 3.05Å; P227-R231 WeakPolarHBondContact O-CB 3.45Å; P227-R231 PolarHBondContact O-N 2.92Å
228A94.1Very high92.2Very high31 Ų3185.4 Ų85.426%0.25647%0.474SS..Hα-helixtrans-63.3-29.4175.200000113.1H226 T232H226-A228 VanDerWaalsContact ND1-CB 3.28Å; H226-A228 WeakPolarHBondContact ND1-CB 3.45Å; H226-A228 PolarHBondContact ND1-N 3.46Å; H226-A228 VanDerWaalsContact ND1-N 3.18Å; H226-A228 PolarHBondContact O-N 2.91Å; A228-T232 PolarHBondContact O-N 3.19Å; A228-T232 VanDerWaalsContact O-N 3.1Å; A228-T232 PolarHBondContact O-OG1 3.07Å
229Q93.9Very high92.3Very high90 Ų9081.8 Ų81.842%0.42146%0.463SS..Hα-helixtrans-72.2-50.3175.8-17560.748.200110.8K225 H226 P227 R231 T232 D233K225-Q229 HydrophobicContact CB-CB 4.44Å; K225-Q229 HydrophobicContact CD-CG 4.15Å; H226-Q229 WeakPolarHBondContact O-CA 3.43Å; H226-Q229 VanDerWaalsContact O-CB 3.32Å; H226-Q229 WeakPolarHBondContact O-CB 3.28Å; H226-Q229 PolarHBondContact O-N 3.37Å; P227-Q229 PolarHBondContact O-N 2.98Å; Q229-R231 PolarHBondContact O-N 2.82Å; Q229-T232 CarbonylContact O-C 3.57Å; Q229-T232 WeakPolarHBondContact O-CA 3.3Å; Q229-T232 WeakPolarHBondContact O-CB 3.37Å; Q229-T232 PolarHBondContact O-N 3.3Å; Q229-D233 PolarHBondContact NE2-OD1 2.96Å; Q229-D233 VanDerWaalsContact O-CG 3.29Å; Q229-D233 PolarHBondContact O-N 3.4Å
230L92.1Very high92.5Very high17 Ų1783.8 Ų83.89%0.08948%0.48CS..Hα-helixtrans-56.8-37.9175.8-75.6175.8000112M219 L220 E223 K225 H226 P227 D233M219-L230 HydrophobicContact CB-CD1 4.37Å; M219-L230 HydrophobicContact CE-CD2 4.08Å; L220-L230 HydrophobicContact CB-CD1 4.46Å; L220-L230 HydrophobicContact CD2-CD1 3.57Å; L220-L230 HydrophobicContact CG-CD1 3.82Å; E223-L230 WeakPolarHBondContact OE2-CD2 3.25Å; K225-L230 HydrophobicContact CB-CG 4.24Å; K225-L230 HydrophobicContact CD-CD2 4.03Å; K225-L230 HydrophobicContact CD-CG 4.37Å; H226-L230 PolarHBondContact O-N 3.03Å; P227-L230 PolarHBondContact O-N 3.05Å; L230-D233 PolarHBondContact O-N 2.92Å
231R93.1Very high92.6Very high83 Ų8383.2 Ų83.231%0.31348%0.479SS..Hα-helixtrans-62.3-43.4172.4-173-176.467.1-151.6-1.1112P227 Q229 D233 V234 L235 L245P227-R231 WeakPolarHBondContact O-CB 3.45Å; P227-R231 PolarHBondContact O-N 2.92Å; Q229-R231 PolarHBondContact O-N 2.82Å; R231-D233 VanDerWaalsContact C-N 3.33Å; R231-V234 WeakPolarHBondContact O-CG2 3.48Å; R231-V234 PolarHBondContact O-N 3.46Å; R231-L235 WeakPolarHBondContact O-CG 3.42Å; R231-L245 HydrophobicContact CG-CD2 4.26Å
232T93.1Very high93Very high74 Ų7480.2 Ų80.245%0.45447%0.467SS..Hα-helixtrans-63.8-39.1176.4-60.30000112A228 Q229 V234 L235A228-T232 PolarHBondContact O-N 3.19Å; A228-T232 VanDerWaalsContact O-N 3.1Å; A228-T232 PolarHBondContact O-OG1 3.07Å; Q229-T232 CarbonylContact O-C 3.57Å; Q229-T232 WeakPolarHBondContact O-CA 3.3Å; Q229-T232 WeakPolarHBondContact O-CB 3.37Å; Q229-T232 PolarHBondContact O-N 3.3Å; T232-V234 PolarHBondContact O-N 3.39Å; T232-V234 VanDerWaalsContact O-N 3.13Å; T232-L235 PolarHBondContact O-N 2.88Å
233D93.1Very high93.3Very high82 Ų8278.5 Ų78.544%0.43946%0.458SS..Hα-helixtrans-60.5-24.3-179-65.5-7.7000112.4K225 Q229 L230 R231K225-D233 IonicContact NZ-OD2 2.74Å; K225-D233 PolarHBondContact NZ-OD2 2.89Å; Q229-D233 PolarHBondContact NE2-OD1 2.96Å; Q229-D233 VanDerWaalsContact O-CG 3.29Å; Q229-D233 PolarHBondContact O-N 3.4Å; L230-D233 PolarHBondContact O-N 2.92Å; R231-D233 VanDerWaalsContact C-N 3.33Å
234V93.8Very high93.8Very high86 Ų8676.6 Ų76.652%0.52146%0.459SS..THydrogen-bonded Turntrans-103.15.2178.7-58.30000114.5R231 T232 T241R231-V234 WeakPolarHBondContact O-CG2 3.48Å; R231-V234 PolarHBondContact O-N 3.46Å; T232-V234 PolarHBondContact O-N 3.39Å; T232-V234 VanDerWaalsContact O-N 3.13Å; V234-T241 HydrophobicContact CG2-CG2 4.19Å; V234-T241 PolarHBondContact O-OG1 3.26Å
235L94.6Very high94.6Very high48 Ų4874.8 Ų74.825%0.25143%0.433SS..  trans-92.2127.7175.5-70.9170.9000110.3R231 T232 T241 I242 L245R231-L235 WeakPolarHBondContact O-CG 3.42Å; T232-L235 PolarHBondContact O-N 2.88Å; L235-T241 HydrophobicContact CD2-CG2 3.63Å; L235-T241 HydrophobicContact CG-CG2 4.44Å; L235-I242 HydrophobicContact CD1-CD1 4.38Å; L235-I242 HydrophobicContact CD2-CB 3.81Å; L235-I242 HydrophobicContact CD2-CD1 3.99Å; L235-I242 HydrophobicContact CD2-CG1 4.48Å; L235-L245 HydrophobicContact CD1-CD2 4.39Å; L235-L245 HydrophobicContact CD2-CD2 4.43Å
236T94.6Very high95.3Very high88 Ų8876.2 Ų76.254%0.5444%0.44SS..  trans-112146168.455.10000110.4A238 G239T236-A238 PolarHBondContact O-N 3.01Å; T236-G239 PolarHBondContact O-N 2.71Å; T236-G239 WeakPolarHBondContact OG1-CA 3.35Å
237P95.3Very high95.6Very high131 Ų13172.3 Ų72.385%0.85143%0.432SS*.THydrogen-bonded Turntrans-53.9127.7176.3-2735.4000111.5G239P237-G239 PolarHBondContact O-N 3.49Å
238A95.3Very high95.7Very high88 Ų8872 Ų7273%0.72743%0.426SS*.THydrogen-bonded Turntrans56.313.3-174.500000115.7T236T236-A238 PolarHBondContact O-N 3.01Å
239G97.6Very high95.9Very high14 Ų1474 Ų7414%0.14443%0.43CS..  trans-70.9173.7-178.500000114.4T236 P237 T241 I242 H243T236-G239 PolarHBondContact O-N 2.71Å; T236-G239 WeakPolarHBondContact OG1-CA 3.35Å; P237-G239 PolarHBondContact O-N 3.49Å; G239-T241 VanDerWaalsContact C-N 3.35Å; G239-T241 PolarHBondContact O-N 3.29Å; G239-I242 VanDerWaalsContact O-CG2 3.28Å; G239-I242 WeakPolarHBondContact O-CG2 3.42Å; G239-H243 PolarHBondContact O-ND1 2.93Å
240T97.7Very high96.1Very high123 Ų12376.5 Ų76.576%0.75544%0.442SS*.Hα-helixtrans-64.4-39.3178540000111.9I242 H243 G244T240-I242 PolarHBondContact O-N 3.03Å; T240-H243 PolarHBondContact O-N 2.96Å; T240-G244 PolarHBondContact O-N 3.38Å
241T97.5Very high96.4Very high57 Ų5778.8 Ų78.835%0.3547%0.469SS..Hα-helixtrans-59.8-43.5-177.5-47.10000112.6V234 L235 G239 G244 L245V234-T241 HydrophobicContact CG2-CG2 4.19Å; V234-T241 PolarHBondContact O-OG1 3.26Å; L235-T241 HydrophobicContact CD2-CG2 3.63Å; L235-T241 HydrophobicContact CG-CG2 4.44Å; G239-T241 VanDerWaalsContact C-N 3.35Å; G239-T241 PolarHBondContact O-N 3.29Å; T241-G244 PolarHBondContact O-N 3.38Å; T241-L245 WeakPolarHBondContact O-CB 3.49Å; T241-L245 PolarHBondContact O-N 3.3Å
242I97.7Very high96.6Very high67 Ų6776.2 Ų76.234%0.34447%0.468SS..Hα-helixtrans-69.3-36.2-178.4-171.559.8000112L235 G239 T240 L245 H246L235-I242 HydrophobicContact CD1-CD1 4.38Å; L235-I242 HydrophobicContact CD2-CB 3.81Å; L235-I242 HydrophobicContact CD2-CD1 3.99Å; L235-I242 HydrophobicContact CD2-CG1 4.48Å; G239-I242 VanDerWaalsContact O-CG2 3.28Å; G239-I242 WeakPolarHBondContact O-CG2 3.42Å; T240-I242 PolarHBondContact O-N 3.03Å; I242-L245 HydrophobicContact CD1-CD2 4.41Å; I242-L245 PolarHBondContact O-N 3.4Å; I242-H246 WeakPolarHBondContact O-CB 3.48Å; I242-H246 PolarHBondContact O-N 3.23Å
243H98.1Very high96.9Very high121 Ų12175.8 Ų75.856%0.5646%0.463SS*.Hα-helixtrans-67.4-42.3175.2-71.385.8000111.5G239 T240 H246 A247G239-H243 PolarHBondContact O-ND1 2.93Å; T240-H243 PolarHBondContact O-N 2.96Å; H243-H246 PolarHBondContact O-N 3.36Å; H243-A247 PolarHBondContact O-N 3.47Å; H243-A247 VanDerWaalsContact O-N 3.15Å
244G98Very high97.1Very high38 Ų3877.9 Ų77.939%0.39247%0.465SS..Hα-helixtrans-62.2-45.2173.400000112.3T240 T241 H246 A247 L248T240-G244 PolarHBondContact O-N 3.38Å; T241-G244 PolarHBondContact O-N 3.38Å; G244-H246 PolarHBondContact O-N 3.02Å; G244-A247 PolarHBondContact O-N 3.01Å; G244-L248 WeakPolarHBondContact O-CG 3.48Å; G244-L248 PolarHBondContact O-N 3.42Å
245L97.3Very high97.3Very high35 Ų3576.7 Ų76.718%0.18346%0.464CS..Hα-helixtrans-61.8-42.5177.5-177.163.7000111.8R231 L235 T241 I242 A247 L248 E249R231-L245 HydrophobicContact CG-CD2 4.26Å; L235-L245 HydrophobicContact CD1-CD2 4.39Å; L235-L245 HydrophobicContact CD2-CD2 4.43Å; T241-L245 WeakPolarHBondContact O-CB 3.49Å; T241-L245 PolarHBondContact O-N 3.3Å; I242-L245 HydrophobicContact CD1-CD2 4.41Å; I242-L245 PolarHBondContact O-N 3.4Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-A247 PolarHBondContact O-N 3.44Å; L245-L248 WeakPolarHBondContact O-CB 3.36Å; L245-L248 PolarHBondContact O-N 2.98Å; L245-E249 WeakPolarHBondContact O-CG 3.27Å; L245-E249 PolarHBondContact O-N 3.32Å
246H98Very high97.5Very high112 Ų11277.4 Ų77.452%0.51948%0.477SS..Hα-helixtrans-59.2-42.5175.5178.2-144.6000111.8I242 H243 G244 L248 E249 Q250I242-H246 WeakPolarHBondContact O-CB 3.48Å; I242-H246 PolarHBondContact O-N 3.23Å; H243-H246 PolarHBondContact O-N 3.36Å; G244-H246 PolarHBondContact O-N 3.02Å; H246-L248 PolarHBondContact O-N 2.94Å; H246-E249 PolarHBondContact O-N 3.19Å; H246-Q250 PolarHBondContact CE1-NE2 3.37Å; H246-Q250 PolarHBondContact NE2-NE2 3.31Å; H246-Q250 WeakPolarHBondContact O-CG 3.46Å; H246-Q250 PolarHBondContact O-N 3.47Å
247A98.3Very high97.7Very high57 Ų5775.8 Ų75.847%0.47147%0.472SS..Hα-helixtrans-63.9-38.3175.200000112.7H243 G244 L245 Q250 G251H243-A247 PolarHBondContact O-N 3.47Å; H243-A247 VanDerWaalsContact O-N 3.15Å; G244-A247 PolarHBondContact O-N 3.01Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-A247 PolarHBondContact O-N 3.44Å; A247-Q250 PolarHBondContact O-N 3.05Å; A247-G251 PolarHBondContact O-N 3.15Å
248L97.9Very high97.8Very high70 Ų7076.1 Ų76.137%0.36646%0.464SS..Hα-helixtrans-64.8-38.2174.5-68.1175.1000112.5G244 L245 H246 G251 G252 L253G244-L248 WeakPolarHBondContact O-CG 3.48Å; G244-L248 PolarHBondContact O-N 3.42Å; L245-L248 WeakPolarHBondContact O-CB 3.36Å; L245-L248 PolarHBondContact O-N 2.98Å; H246-L248 PolarHBondContact O-N 2.94Å; L248-G251 CarbonylContact O-C 3.55Å; L248-G251 PolarHBondContact O-N 2.72Å; L248-G252 PolarHBondContact O-N 2.93Å; L248-L253 HydrophobicContact CB-CB 4.38Å; L248-L253 HydrophobicContact CB-CD2 4.19Å; L248-L253 HydrophobicContact CD1-CD2 4.09Å; L248-L253 HydrophobicContact CD2-CD2 4.24Å; L248-L253 HydrophobicContact CG-CD2 4.41Å; L248-L253 WeakPolarHBondContact O-CB 3.21Å; L248-L253 PolarHBondContact O-N 3.45Å
249E97.9Very high98Very high74 Ų7475 Ų7535%0.34645%0.451SS..Hα-helixtrans-69.2-39.3176.1-65-67.5176.400111.3L245 H246 G251 G252 R254L245-E249 WeakPolarHBondContact O-CG 3.27Å; L245-E249 PolarHBondContact O-N 3.32Å; H246-E249 PolarHBondContact O-N 3.19Å; E249-G251 PolarHBondContact O-N 3.41Å; E249-G252 PolarHBondContact O-N 2.98Å; E249-R254 IonicContact OE1-CZ 3.84Å; E249-R254 VanDerWaalsContact OE1-CZ 3.23Å; E249-R254 IonicContact OE1-NE 3.48Å; E249-R254 PolarHBondContact OE1-NE 3.49Å; E249-R254 IonicContact OE1-NH2 3.75Å; E249-R254 PolarHBondContact OE1-NH2 3.4Å; E249-R254 IonicContact OE2-NE 2.71Å
250Q98.4Very high98Very high142 Ų14275.8 Ų75.866%0.66446%0.456SS*.Hα-helixtrans-60.2-35.4171.4-72.2-177.1-0.100112.3H246 A247 G252H246-Q250 PolarHBondContact CE1-NE2 3.37Å; H246-Q250 PolarHBondContact NE2-NE2 3.31Å; H246-Q250 WeakPolarHBondContact O-CG 3.46Å; H246-Q250 PolarHBondContact O-N 3.47Å; A247-Q250 PolarHBondContact O-N 3.05Å; Q250-G252 PolarHBondContact O-N 3.46Å
251G97.4Very high98.1Very high65 Ų6571.7 Ų71.767%0.6743%0.431SS*.THydrogen-bonded Turntrans-75.5-3.4173.600000114.7A247 L248 E249 L253A247-G251 PolarHBondContact O-N 3.15Å; L248-G251 CarbonylContact O-C 3.55Å; L248-G251 PolarHBondContact O-N 2.72Å; E249-G251 PolarHBondContact O-N 3.41Å; G251-L253 PolarHBondContact O-N 3.21Å
252G98.1Very high98.1Very high28 Ų2875 Ų7529%0.28944%0.442SS..THydrogen-bonded Turntrans68.129.4177.900000114.4L248 E249 Q250 R254 A255 A256L248-G252 PolarHBondContact O-N 2.93Å; E249-G252 PolarHBondContact O-N 2.98Å; Q250-G252 PolarHBondContact O-N 3.46Å; G252-R254 VanDerWaalsContact C-N 3.27Å; G252-R254 PolarHBondContact O-N 2.89Å; G252-R254 VanDerWaalsContact O-N 3.12Å; G252-A255 PolarHBondContact O-N 3.03Å; G252-A256 PolarHBondContact O-N 3.18Å
253L97.7Very high98.2Very high65 Ų6574.8 Ų74.834%0.3445%0.451SS..Hα-helixtrans-48.5-45.8-173.3176.565.4000113.3F187 L248 G251 A256 A257F187-L253 HydrophobicContact CD2-CD1 4.5Å; F187-L253 HydrophobicContact CE2-CD1 4.35Å; F187-L253 HydrophobicContact CE2-CD2 4.36Å; L248-L253 HydrophobicContact CB-CB 4.38Å; L248-L253 HydrophobicContact CB-CD2 4.19Å; L248-L253 HydrophobicContact CD1-CD2 4.09Å; L248-L253 HydrophobicContact CD2-CD2 4.24Å; L248-L253 HydrophobicContact CG-CD2 4.41Å; L248-L253 WeakPolarHBondContact O-CB 3.21Å; L248-L253 PolarHBondContact O-N 3.45Å; G251-L253 PolarHBondContact O-N 3.21Å; L253-A256 PolarHBondContact O-N 3.01Å; L253-A257 WeakPolarHBondContact O-CB 3.22Å; L253-A257 PolarHBondContact O-N 3.28Å
254R97.5Very high98.2Very high126 Ų12670 Ų7048%0.47543%0.432SS..Hα-helixtrans-66.4-42.7-177.5-60.1-171.2-165-169.118.4112.3E249 G252 A257 M258E249-R254 IonicContact OE1-CZ 3.84Å; E249-R254 VanDerWaalsContact OE1-CZ 3.23Å; E249-R254 IonicContact OE1-NE 3.48Å; E249-R254 PolarHBondContact OE1-NE 3.49Å; E249-R254 IonicContact OE1-NH2 3.75Å; E249-R254 PolarHBondContact OE1-NH2 3.4Å; E249-R254 IonicContact OE2-NE 2.71Å; G252-R254 VanDerWaalsContact C-N 3.27Å; G252-R254 PolarHBondContact O-N 2.89Å; G252-R254 VanDerWaalsContact O-N 3.12Å; R254-A257 PolarHBondContact O-N 3.25Å; R254-M258 WeakPolarHBondContact O-CB 3.15Å; R254-M258 VanDerWaalsContact O-CG 3.27Å; R254-M258 WeakPolarHBondContact O-CG 3.32Å; R254-M258 PolarHBondContact O-N 2.97Å
255A98.5Very high98.1Very high61 Ų6168.7 Ų68.750%0.50442%0.417SS..Hα-helixtrans-61.8-46.9177.800000110.2G252 A257 M258 S259G252-A255 PolarHBondContact O-N 3.03Å; A255-A257 PolarHBondContact O-N 3.31Å; A255-M258 PolarHBondContact O-N 3.35Å; A255-S259 WeakPolarHBondContact O-CB 3.47Å; A255-S259 PolarHBondContact O-N 3.05Å; A255-S259 PolarHBondContact O-OG 3.06Å
256A98.5Very high98.1Very high63 Ų6370 Ų7052%0.52143%0.428SS..Hα-helixtrans-59.1-45.4177.400000112.5G252 L253 S259 A260G252-A256 PolarHBondContact O-N 3.18Å; L253-A256 PolarHBondContact O-N 3.01Å; A256-S259 PolarHBondContact O-N 3.45Å; A256-A260 WeakPolarHBondContact O-CB 3.5Å; A256-A260 PolarHBondContact O-N 3.13Å
257A98.4Very high98Very high54 Ų5470.6 Ų70.645%0.44643%0.425SS..Hα-helixtrans-64-43.4178.500000112.5L253 R254 A255 A260 V261L253-A257 WeakPolarHBondContact O-CB 3.22Å; L253-A257 PolarHBondContact O-N 3.28Å; R254-A257 PolarHBondContact O-N 3.25Å; A255-A257 PolarHBondContact O-N 3.31Å; A257-A260 PolarHBondContact O-N 3.12Å; A257-V261 PolarHBondContact O-N 3.4Å
258M98.7Very high97.7Very high138 Ų13868.3 Ų68.368%0.6841%0.406SS*.Hα-helixtrans-63-46.4177-71.2172.363.500111.5R254 A255 A260 V261 E262R254-M258 WeakPolarHBondContact O-CB 3.15Å; R254-M258 VanDerWaalsContact O-CG 3.27Å; R254-M258 WeakPolarHBondContact O-CG 3.32Å; R254-M258 PolarHBondContact O-N 2.97Å; A255-M258 PolarHBondContact O-N 3.35Å; M258-A260 VanDerWaalsContact C-N 3.3Å; M258-A260 PolarHBondContact O-N 3.42Å; M258-V261 PolarHBondContact O-N 2.87Å; M258-E262 PolarHBondContact O-N 3.1Å
259S98.7Very high97.4Very high66 Ų6669.2 Ų69.246%0.46241%0.408SS..Hα-helixtrans-63.7-33.9177.4-64.20000112.7A255 A256 E262 A263A255-S259 WeakPolarHBondContact O-CB 3.47Å; A255-S259 PolarHBondContact O-N 3.05Å; A255-S259 PolarHBondContact O-OG 3.06Å; A256-S259 PolarHBondContact O-N 3.45Å; S259-E262 PolarHBondContact O-N 3.03Å; S259-A263 VanDerWaalsContact O-CB 3.28Å; S259-A263 WeakPolarHBondContact O-CB 3.45Å; S259-A263 PolarHBondContact O-N 2.78Å
260A98.6Very high97.1Very high30 Ų3070.8 Ų70.825%0.24842%0.415CS..Hα-helixtrans-63.5-45.6175.600000111.9F183 A256 A257 M258 A264F183-A260 HydrophobicContact CD2-CB 4.4Å; F183-A260 HydrophobicContact CE1-CB 4.24Å; F183-A260 HydrophobicContact CE2-CB 4.02Å; F183-A260 HydrophobicContact CZ-CB 3.94Å; A256-A260 WeakPolarHBondContact O-CB 3.5Å; A256-A260 PolarHBondContact O-N 3.13Å; A257-A260 PolarHBondContact O-N 3.12Å; M258-A260 VanDerWaalsContact C-N 3.3Å; M258-A260 PolarHBondContact O-N 3.42Å; A260-A264 VanDerWaalsContact O-CB 3.3Å; A260-A264 WeakPolarHBondContact O-CB 3.38Å; A260-A264 PolarHBondContact O-N 2.82Å
261V98.6Very high96.4Very high37 Ų3768 Ų6822%0.22440%0.404CS..Hα-helixtrans-64.5-43.3176.7175.40000110.9L176 F183 A257 M258 T265L176-V261 HydrophobicContact CB-CG1 4.33Å; L176-V261 HydrophobicContact CD1-CG2 4.04Å; F183-V261 HydrophobicContact CE2-CG2 4.36Å; A257-V261 PolarHBondContact O-N 3.4Å; M258-V261 PolarHBondContact O-N 2.87Å; V261-T265 VanDerWaalsContact O-CB 3.25Å; V261-T265 WeakPolarHBondContact O-CB 3.48Å; V261-T265 PolarHBondContact O-N 3.48Å; V261-T265 PolarHBondContact O-OG1 2.91Å
262E98.7Very high95.5Very high126 Ų12666.3 Ų66.359%0.58938%0.382SS*.Hα-helixtrans-59.4-53.3176.6179.7178-148.400111.4M258 S259 A264 T265 C266M258-E262 PolarHBondContact O-N 3.1Å; S259-E262 PolarHBondContact O-N 3.03Å; E262-A264 PolarHBondContact O-N 3.36Å; E262-T265 PolarHBondContact O-N 2.86Å; E262-C266 PolarHBondContact O-N 3.23Å; E262-C266 PolarHBondContact O-SG 3Å; E262-C266 VanDerWaalsContact O-SG 3.39Å
263A98.6Very high94.5Very high63 Ų6373.7 Ų73.752%0.52141%0.406SS..Hα-helixtrans-60-44.5-17900000112S259 C266 R267S259-A263 VanDerWaalsContact O-CB 3.28Å; S259-A263 WeakPolarHBondContact O-CB 3.45Å; S259-A263 PolarHBondContact O-N 2.78Å; A263-C266 PolarHBondContact O-N 3.42Å; A263-R267 WeakPolarHBondContact O-CB 3.33Å; A263-R267 PolarHBondContact O-N 3.5Å
264A97.8Very high92.5Very high19 Ų1981.2 Ų81.216%0.15744%0.436CS..Hα-helixtrans-65.6-39.2177.600000112.1F183 A260 E262 R267 A268F183-A264 HydrophobicContact CZ-CB 4.28Å; A260-A264 VanDerWaalsContact O-CB 3.3Å; A260-A264 WeakPolarHBondContact O-CB 3.38Å; A260-A264 PolarHBondContact O-N 2.82Å; E262-A264 PolarHBondContact O-N 3.36Å; A264-R267 PolarHBondContact O-N 3.05Å; A264-A268 WeakPolarHBondContact O-CB 3.4Å; A264-A268 PolarHBondContact O-N 2.88Å
265T96.9Very high92.2Very high12 Ų1279 Ų797%0.07443%0.434CS..Hα-helixtrans-64.4-45.8175.7-61.10000111.5I172 V261 E262 R267 A268 K269I172-T265 HydrophobicContact CB-CG2 4.4Å; I172-T265 HydrophobicContact CG1-CG2 3.97Å; V261-T265 VanDerWaalsContact O-CB 3.25Å; V261-T265 WeakPolarHBondContact O-CB 3.48Å; V261-T265 PolarHBondContact O-N 3.48Å; V261-T265 PolarHBondContact O-OG1 2.91Å; E262-T265 PolarHBondContact O-N 2.86Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact O-N 3.39Å; T265-A268 PolarHBondContact O-N 3.44Å; T265-K269 HydrophobicContact CG2-CD 4.5Å; T265-K269 WeakPolarHBondContact O-CG 3.32Å; T265-K269 PolarHBondContact O-N 2.74Å
266C96.9Very high91.9Very high62 Ų6279.9 Ų79.942%0.41943%0.43SS..Hα-helixtrans-59.2-44.1176-73.10000110.8E262 A263 A268 K269 E270E262-C266 PolarHBondContact O-N 3.23Å; E262-C266 PolarHBondContact O-SG 3Å; E262-C266 VanDerWaalsContact O-SG 3.39Å; A263-C266 PolarHBondContact O-N 3.42Å; C266-A268 PolarHBondContact O-N 2.94Å; C266-K269 PolarHBondContact O-N 3.04Å; C266-E270 WeakPolarHBondContact O-CG 3.35Å; C266-E270 PolarHBondContact O-N 2.96Å; C266-E270 VanDerWaalsContact O-N 3.11Å
267R95.1Very high91.5Very high124 Ų12480.8 Ų80.847%0.46843%0.425SS..Hα-helixtrans-64.4-40176.6-176.554.4179.1169.5-0.6112.8A263 A264 T265 K269 E270 L271A263-R267 WeakPolarHBondContact O-CB 3.33Å; A263-R267 PolarHBondContact O-N 3.5Å; A264-R267 PolarHBondContact O-N 3.05Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact O-N 3.39Å; R267-K269 VanDerWaalsContact C-N 3.34Å; R267-K269 PolarHBondContact O-N 3.08Å; R267-E270 VanDerWaalsContact CD-OE2 3.32Å; R267-E270 WeakPolarHBondContact CD-OE2 3.5Å; R267-E270 IonicContact CZ-OE2 3.85Å; R267-E270 IonicContact NE-OE2 2.78Å; R267-E270 IonicContact NH1-OE2 3.78Å; R267-E270 PolarHBondContact NH1-OE2 3.18Å; R267-E270 PolarHBondContact O-N 2.96Å; R267-L271 HydrophobicContact CG-CD1 4.36Å; R267-L271 WeakPolarHBondContact O-CG 3.28Å; R267-L271 PolarHBondContact O-N 3.05Å; R267-L271 VanDerWaalsContact O-N 3.15Å
268A92.3Very high91.1Very high9 Ų982.4 Ų82.47%0.07442%0.424CS..Hα-helixtrans-58.7-46.3175.100000111.1D171 T174 A264 T265 C266 E270 L271 S272D171-A268 HydrophobicContact CB-CB 4.06Å; T174-A268 HydrophobicContact CG2-CB 4.04Å; A264-A268 WeakPolarHBondContact O-CB 3.4Å; A264-A268 PolarHBondContact O-N 2.88Å; T265-A268 PolarHBondContact O-N 3.44Å; C266-A268 PolarHBondContact O-N 2.94Å; A268-E270 VanDerWaalsContact C-N 3.31Å; A268-E270 PolarHBondContact O-N 3.15Å; A268-L271 PolarHBondContact O-N 2.95Å; A268-L271 VanDerWaalsContact O-N 3.09Å; A268-S272 PolarHBondContact O-N 3.42Å; A268-S272 PolarHBondContact O-OG 3.17Å; A268-S272 VanDerWaalsContact O-OG 3.08Å
269K92.1Very high90.7Very high90 Ų9078.9 Ų78.939%0.39141%0.408SS..Hα-helixtrans-60.2-36.2176.4-70.4173.8178.7177.20113.5D171 T265 C266 R267 L271 K273D171-K269 HydrophobicContact CB-CG 3.82Å; D171-K269 WeakPolarHBondContact OD2-CG 3.28Å; T265-K269 HydrophobicContact CG2-CD 4.5Å; T265-K269 WeakPolarHBondContact O-CG 3.32Å; T265-K269 PolarHBondContact O-N 2.74Å; C266-K269 PolarHBondContact O-N 3.04Å; R267-K269 VanDerWaalsContact C-N 3.34Å; R267-K269 PolarHBondContact O-N 3.08Å; K269-L271 VanDerWaalsContact C-N 3.34Å; K269-K273 WeakPolarHBondContact O-CG 3.42Å
270E91.4Very high90.1Very high106 Ų10679.8 Ų79.850%0.49540%0.404SS..Hα-helixtrans-66.9-36.7175.4-70.3170.2-172.200112.4C266 R267 A268C266-E270 WeakPolarHBondContact O-CG 3.35Å; C266-E270 PolarHBondContact O-N 2.96Å; C266-E270 VanDerWaalsContact O-N 3.11Å; R267-E270 VanDerWaalsContact CD-OE2 3.32Å; R267-E270 WeakPolarHBondContact CD-OE2 3.5Å; R267-E270 IonicContact CZ-OE2 3.85Å; R267-E270 IonicContact NE-OE2 2.78Å; R267-E270 IonicContact NH1-OE2 3.78Å; R267-E270 PolarHBondContact NH1-OE2 3.18Å; R267-E270 PolarHBondContact O-N 2.96Å; A268-E270 VanDerWaalsContact C-N 3.31Å; A268-E270 PolarHBondContact O-N 3.15Å
271L84.9Confident89.5Confident85 Ų8583.4 Ų83.445%0.44542%0.416SS..Hα-helixtrans-74.7-34.7179.7-67.2173.7000112R267 A268 K269 K273R267-L271 HydrophobicContact CG-CD1 4.36Å; R267-L271 WeakPolarHBondContact O-CG 3.28Å; R267-L271 PolarHBondContact O-N 3.05Å; R267-L271 VanDerWaalsContact O-N 3.15Å; A268-L271 PolarHBondContact O-N 2.95Å; A268-L271 VanDerWaalsContact O-N 3.09Å; K269-L271 VanDerWaalsContact C-N 3.34Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.27Å
272S78.6Confident88.8Confident28 Ų2886.9 Ų86.920%0.19643%0.43CS..THydrogen-bonded Turntrans-74.1-9.2179.7-56.70000114.6G104 D171 A268G104-S272 WeakPolarHBondContact CA-OG 3.39Å; G104-S272 WeakPolarHBondContact O-CA 3.44Å; D171-S272 PolarHBondContact OD1-OG 2.93Å; A268-S272 PolarHBondContact O-N 3.42Å; A268-S272 PolarHBondContact O-OG 3.17Å; A268-S272 VanDerWaalsContact O-OG 3.08Å
273K75.1Confident88Confident183 Ų18383.7 Ų83.780%0.79642%0.417SS*.THydrogen-bonded Turntrans-95.31.7179.6-74.9178.6-179.4-1760114.1K269 L271K269-K273 WeakPolarHBondContact O-CG 3.42Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.27Å
274K56.3Low87Confident223 Ų22385.5 Ų85.597%0.9741%0.408SS*.  trans-99.70-179.7-72.9-173.1174.9-171.10110.8

Retrieved 274 of 274 residues in 226.4 ms (Link to these results)

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