A0A077Z570_TRITR Loading...

THUMP and UPF0020 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z570, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 381 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
1M41.5Very low82.7Confident240 Ų24060.5 Ų60.5100%1.18237%0.374SS*.  0125.50-92177.5-97.600107.2A3M1-A3 PolarHBondContact O-N 2.73Å
2A53.7Low83.9Confident103 Ų10356.3 Ų56.385%0.85135%0.347SS*.PPolyproline II helixtrans-60.2131.117100000108A4A2-A4 PolarHBondContact O-N 2.96Å
3A67.1Low84.7Confident50 Ų5052.7 Ų52.741%0.41333%0.326SS..PPolyproline II helixtrans-60.113817800000109.2M1 P46M1-A3 PolarHBondContact O-N 2.73Å; A3-P46 HydrophobicContact CB-CB 3.8Å; A3-P46 HydrophobicContact CB-CG 3.5Å; A3-P46 VanDerWaalsContact O-CG 3.26Å; A3-P46 WeakPolarHBondContact O-CG 3.37Å
4A81.4Confident85.5Confident65 Ų6550.1 Ų50.154%0.53731%0.312SS..PPolyproline II helixtrans-65.3145.3-179.200000110.3A2 P46A2-A4 PolarHBondContact O-N 2.96Å; A4-P46 WeakPolarHBondContact O-CG 3.38Å
5N89Confident86.2Confident93 Ų9348.5 Ų48.550%0.49731%0.308SS..PPolyproline II helixtrans-58.1144.9176.9-71.2-14.4000111.5L43 L44N5-L43 HydrophobicContact CB-CD1 3.59Å; N5-L43 HydrophobicContact CB-CD2 3.75Å; N5-L43 HydrophobicContact CB-CG 3.54Å; N5-L43 WeakPolarHBondContact ND2-CD2 3.46Å; N5-L44 WeakPolarHBondContact CA-O 3.36Å
6R92.9Very high86.9Confident29 Ų2945.6 Ų45.611%0.10929%0.29CS..EExtended strand (participates in β ladder)trans-96129.8-176.7-67.2171.2-176.81527.6110.3F8 L43 L44 P46 I64R6-F8 HydrophobicContact CB-CD2 4.46Å; R6-F8 HydrophobicContact CB-CE2 3.68Å; R6-F8 HydrophobicContact CB-CZ 4.16Å; R6-L43 WeakPolarHBondContact O-CA 3.47Å; R6-L44 PolarHBondContact N-O 2.83Å; R6-L44 PolarHBondContact O-N 3.24Å; R6-P46 PolarHBondContact NH1-O 3.39Å; R6-P46 PolarHBondContact NH2-O 3.26Å; R6-I64 HydrophobicContact CB-CD1 3.89Å; R6-I64 HydrophobicContact CG-CD1 4.5Å
7T95.3Very high87.5Confident41 Ų4144.1 Ų44.125%0.25228%0.278SS..EExtended strand (participates in β ladder)trans-96.3121.4175.7-59.70000109.9L43 I64 V65T7-L43 VanDerWaalsContact OG1-CD1 3.23Å; T7-L43 WeakPolarHBondContact OG1-CD1 3.42Å; T7-I64 VanDerWaalsContact O-CD1 3.25Å; T7-I64 WeakPolarHBondContact O-CD1 3.41Å; T7-V65 HydrophobicContact CG2-CB 3.96Å; T7-V65 HydrophobicContact CG2-CG2 3.96Å; T7-V65 WeakPolarHBondContact O-CB 3.36Å; T7-V65 PolarHBondContact O-N 3.29Å
8F97.1Very high87.9Confident2 Ų246.5 Ų46.51%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-102.6149.9173.2-64.5-92.1000110.4R6 Y41 F42 L44 I50 V53 S63 I64 V100 L184R6-F8 HydrophobicContact CB-CD2 4.46Å; R6-F8 HydrophobicContact CB-CE2 3.68Å; R6-F8 HydrophobicContact CB-CZ 4.16Å; F8-Y41 WeakPolarHBondContact O-CA 3.4Å; F8-F42 HydrophobicContact CB-CD1 4.37Å; F8-F42 HydrophobicContact CB-CD2 3.9Å; F8-F42 HydrophobicContact CB-CE1 3.96Å; F8-F42 HydrophobicContact CB-CE2 3.44Å; F8-F42 VanDerWaalsContact CB-CE2 3.44Å; F8-F42 HydrophobicContact CB-CG 4.33Å; F8-F42 HydrophobicContact CB-CZ 3.47Å; F8-F42 VanDerWaalsContact CB-CZ 3.47Å; F8-F42 HydrophobicContact CD2-CD2 4.29Å; F8-F42 HydrophobicContact CD2-CE2 4.04Å; F8-F42 HydrophobicContact CG-CD2 4.42Å; F8-F42 AromaticContact CG-CE2 3.86Å; F8-F42 HydrophobicContact CG-CE2 3.86Å; F8-F42 HydrophobicContact CG-CZ 4.24Å; F8-F42 PolarHBondContact N-O 3.38Å; F8-F42 PolarHBondContact O-N 2.93Å; F8-L44 HydrophobicContact CD2-CB 4.32Å; F8-L44 HydrophobicContact CD2-CD1 3.87Å; F8-L44 HydrophobicContact CD2-CG 4.07Å; F8-L44 HydrophobicContact CE2-CB 4.02Å; F8-L44 HydrophobicContact CE2-CD1 3.83Å; F8-L44 HydrophobicContact CE2-CG 4.16Å; F8-I50 HydrophobicContact CE1-CD1 4.14Å; F8-I50 HydrophobicContact CZ-CD1 3.62Å; F8-V53 HydrophobicContact CD1-CG1 3.91Å; F8-V53 HydrophobicContact CE1-CG1 4.23Å; F8-V53 HydrophobicContact CE1-CG2 4.49Å; F8-V53 HydrophobicContact CG-CG1 4.29Å; F8-V53 HydrophobicContact CZ-CG2 4.42Å; F8-S63 WeakPolarHBondContact CA-O 3.31Å; F8-I64 HydrophobicContact CD1-CD1 4.02Å; F8-I64 HydrophobicContact CD2-CD1 4.39Å; F8-I64 HydrophobicContact CE1-CD1 3.78Å; F8-I64 HydrophobicContact CE2-CD1 4.15Å; F8-I64 HydrophobicContact CG-CD1 4.32Å; F8-I64 HydrophobicContact CZ-CD1 3.84Å; F8-V100 HydrophobicContact CE1-CG1 4.09Å; F8-V100 HydrophobicContact CZ-CG1 4.42Å; F8-L184 HydrophobicContact CD1-CD1 3.84Å; F8-L184 HydrophobicContact CE1-CD1 3.74Å
9E97.4Very high88.4Confident4 Ų444.3 Ų44.32%0.01927%0.272CS..EExtended strand (participates in β ladder)trans-120.9132.9170.8174.4176179.200109H39 V40 Y41 L62 S63 V65 R179E9-H39 IonicContact OE1-CE1 2.75Å; E9-H39 PolarHBondContact OE1-CE1 3.38Å; E9-H39 IonicContact OE1-CG 2.69Å; E9-H39 IonicContact OE1-ND1 2.96Å; E9-H39 PolarHBondContact OE1-ND1 2.88Å; E9-V40 CarbonylContact C-O 3.51Å; E9-V40 WeakPolarHBondContact CA-O 3.41Å; E9-Y41 HydrophobicContact CB-CD1 3.85Å; E9-Y41 HydrophobicContact CB-CE1 4.02Å; E9-Y41 VanDerWaalsContact CD-CE1 3.47Å; E9-Y41 HydrophobicContact CG-CD1 3.93Å; E9-Y41 HydrophobicContact CG-CE1 3.63Å; E9-L62 CarbonylContact O-C 3.5Å; E9-L62 WeakPolarHBondContact O-CA 3.25Å; E9-S63 PolarHBondContact N-O 3.47Å; E9-S63 PolarHBondContact O-N 2.91Å; E9-S63 PolarHBondContact O-OG 2.99Å; E9-V65 HydrophobicContact CB-CG2 3.68Å; E9-R179 IonicContact OE1-NH1 3.31Å; E9-R179 PolarHBondContact OE1-NH1 3.07Å; E9-R179 IonicContact OE2-NH1 3.3Å; E9-R179 PolarHBondContact OE2-NH1 3.48Å
10G97.7Very high88.8Confident0 Ų042.1 Ų42.10%026%0.258CS..EExtended strand (participates in β ladder)trans-124127.7174.600000111.3H39 V40 F59 H61G10-H39 WeakPolarHBondContact O-CA 3.19Å; G10-V40 PolarHBondContact N-O 3.37Å; G10-V40 PolarHBondContact O-N 3Å; G10-F59 VanDerWaalsContact C-CD1 3.4Å; G10-F59 VanDerWaalsContact CA-CD1 3.42Å; G10-H61 WeakPolarHBondContact CA-O 3.29Å
11T96.6Very high89.2Confident39 Ų3940.4 Ų40.424%0.23925%0.248CC..EExtended strand (participates in β ladder)trans-80.6132.9173.657.50000110.3G38 F59 N60 H61T11-G38 WeakPolarHBondContact CA-O 3.37Å; T11-F59 CarbonylContact O-C 3.6Å; T11-F59 VanDerWaalsContact O-CA 3.26Å; T11-F59 WeakPolarHBondContact O-CA 3.4Å; T11-N60 PolarHBondContact O-N 3.49Å; T11-H61 PolarHBondContact N-O 3.49Å; T11-H61 WeakPolarHBondContact OG1-CB 3.17Å; T11-H61 PolarHBondContact OG1-N 2.93Å; T11-H61 PolarHBondContact OG1-O 3.04Å
12V96.6Very high91.8Very high10 Ų1032.6 Ų32.66%0.06121%0.208CC..  trans-134.4154.7-176.961.30000109.9S14 L16 E17 A20 G38 V40 F59V12-S14 PolarHBondContact O-N 3.34Å; V12-L16 HydrophobicContact CG2-CB 4.18Å; V12-E17 HydrophobicContact CG1-CB 4.39Å; V12-E17 HydrophobicContact CG1-CG 3.82Å; V12-A20 HydrophobicContact CB-CB 4.45Å; V12-A20 HydrophobicContact CG2-CB 4.05Å; V12-G38 PolarHBondContact N-O 2.85Å; V12-G38 CarbonylContact O-C 3.41Å; V12-G38 VanDerWaalsContact O-CA 3.3Å; V12-G38 WeakPolarHBondContact O-CA 3.36Å; V12-V40 HydrophobicContact CG1-CG2 4.01Å; V12-F59 HydrophobicContact CB-CD1 4.25Å; V12-F59 HydrophobicContact CB-CE1 4.42Å
13A95.4Very high93.9Very high9 Ų927.7 Ų27.77%0.07417%0.168CC..  trans-62.3125.8171.700000109.8G15 L16 I206 I358A13-G15 PolarHBondContact O-N 3.16Å; A13-L16 HydrophobicContact CB-CD1 4.35Å; A13-L16 WeakPolarHBondContact O-CB 3.12Å; A13-L16 PolarHBondContact O-N 3.33Å; A13-L16 VanDerWaalsContact O-N 3.08Å; A13-I206 HydrophobicContact CB-CD1 3.95Å; A13-I206 HydrophobicContact CB-CG1 3.82Å; A13-I358 HydrophobicContact CB-CG2 4.14Å
14S95.3Very high95.3Very high17 Ų1725.3 Ų25.312%0.11915%0.148CC..THydrogen-bonded Turntrans-58.1137.8-179.5-460000111V12 E17 I358 N359V12-S14 PolarHBondContact O-N 3.34Å; S14-E17 VanDerWaalsContact CA-OE1 3.22Å; S14-E17 WeakPolarHBondContact CA-OE1 3.16Å; S14-I358 CarbonylContact O-C 3.5Å; S14-I358 VanDerWaalsContact O-CA 3.25Å; S14-I358 WeakPolarHBondContact O-CA 3.31Å; S14-N359 PolarHBondContact O-N 3.12Å
15G95.3Very high96Very high25 Ų2525.4 Ų25.426%0.25814%0.138SC..THydrogen-bonded Turntrans96.3-9.9-171.400000114.4A13 E17 S357A13-G15 PolarHBondContact O-N 3.16Å; G15-E17 VanDerWaalsContact CA-OE2 3.26Å; G15-E17 WeakPolarHBondContact CA-OE2 3.23Å; G15-E17 PolarHBondContact N-OE1 2.83Å; G15-E17 PolarHBondContact N-OE2 2.69Å; G15-S357 WeakPolarHBondContact CA-O 3.44Å
16L97.3Very high96.3Very high3 Ų327.6 Ų27.62%0.01615%0.145CC..  trans-117.19.7177.8-66.5176.4000113.1V12 A13 Q18 T19 A20 I206 L213 I358V12-L16 HydrophobicContact CG2-CB 4.18Å; A13-L16 HydrophobicContact CB-CD1 4.35Å; A13-L16 WeakPolarHBondContact O-CB 3.12Å; A13-L16 PolarHBondContact O-N 3.33Å; A13-L16 VanDerWaalsContact O-N 3.08Å; L16-Q18 VanDerWaalsContact C-N 3.32Å; L16-Q18 PolarHBondContact O-N 2.82Å; L16-T19 HydrophobicContact CD2-CG2 4.42Å; L16-T19 PolarHBondContact O-N 3.41Å; L16-T19 PolarHBondContact O-OG1 3.38Å; L16-A20 PolarHBondContact O-N 2.78Å; L16-A20 VanDerWaalsContact O-N 3.08Å; L16-I206 HydrophobicContact CD1-CB 4.41Å; L16-I206 HydrophobicContact CD1-CG2 4.09Å; L16-L213 HydrophobicContact CD2-CD1 4.04Å; L16-I358 HydrophobicContact CD1-CD1 4.24Å; L16-I358 HydrophobicContact CD1-CG2 4.02Å; L16-I358 HydrophobicContact CD2-CD1 3.97Å; L16-I358 HydrophobicContact CD2-CG1 4.3Å; L16-I358 HydrophobicContact CG-CD1 4.14Å; L16-I358 HydrophobicContact CG-CG1 4.16Å; L16-I358 HydrophobicContact CG-CG2 4.2Å
17E97.5Very high96.4Very high19 Ų1930.4 Ų30.49%0.08916%0.158CC..Hα-helixtrans-55.8-46.1-179.6-60.685.2167.700111.6V12 S14 G15 T19 A20 V21 Y35 G38 V40V12-E17 HydrophobicContact CG1-CB 4.39Å; V12-E17 HydrophobicContact CG1-CG 3.82Å; S14-E17 VanDerWaalsContact CA-OE1 3.22Å; S14-E17 WeakPolarHBondContact CA-OE1 3.16Å; G15-E17 VanDerWaalsContact CA-OE2 3.26Å; G15-E17 WeakPolarHBondContact CA-OE2 3.23Å; G15-E17 PolarHBondContact N-OE1 2.83Å; G15-E17 PolarHBondContact N-OE2 2.69Å; E17-T19 PolarHBondContact O-N 2.81Å; E17-A20 CarbonylContact O-C 3.54Å; E17-A20 WeakPolarHBondContact O-CA 3.22Å; E17-A20 WeakPolarHBondContact O-CB 3.31Å; E17-A20 PolarHBondContact O-N 3.42Å; E17-V21 WeakPolarHBondContact O-CG2 3.32Å; E17-V21 PolarHBondContact O-N 3.19Å; E17-Y35 HydrophobicContact CB-CD2 3.42Å; E17-Y35 VanDerWaalsContact CB-CD2 3.42Å; E17-Y35 HydrophobicContact CB-CE2 3.97Å; E17-Y35 HydrophobicContact CB-CG 3.73Å; E17-Y35 HydrophobicContact CG-CD2 3.79Å; E17-Y35 HydrophobicContact CG-CE2 4.46Å; E17-Y35 HydrophobicContact CG-CG 4.39Å; E17-G38 PolarHBondContact OE1-N 3.45Å; E17-V40 HydrophobicContact CB-CG2 4.38Å
18Q95.6Very high96.3Very high88 Ų8829.2 Ų29.241%0.41115%0.149SC..Hα-helixtrans-60-36.5178.7-172.962.430.200112L16 V21 E22L16-Q18 VanDerWaalsContact C-N 3.32Å; L16-Q18 PolarHBondContact O-N 2.82Å; Q18-V21 PolarHBondContact O-N 3.38Å; Q18-E22 PolarHBondContact O-N 2.95Å; Q18-E22 VanDerWaalsContact O-N 3.09Å
19T96.4Very high96Very high4 Ų436.9 Ų36.93%0.02519%0.185CC..Hα-helixtrans-66.1-45.6174.862.30000110.1L16 E17 V21 E22 E23 R212 L213L16-T19 HydrophobicContact CD2-CG2 4.42Å; L16-T19 PolarHBondContact O-N 3.41Å; L16-T19 PolarHBondContact O-OG1 3.38Å; E17-T19 PolarHBondContact O-N 2.81Å; T19-V21 VanDerWaalsContact C-N 3.31Å; T19-V21 PolarHBondContact O-N 3.37Å; T19-E22 PolarHBondContact O-N 3.17Å; T19-E23 PolarHBondContact O-N 3.3Å; T19-R212 VanDerWaalsContact CA-NH2 3.26Å; T19-R212 HydrophobicContact CG2-CB 4.26Å; T19-R212 PolarHBondContact O-NH1 3.32Å; T19-R212 PolarHBondContact O-NH2 3.07Å; T19-L213 HydrophobicContact CG2-CD2 3.52Å; T19-L213 HydrophobicContact CG2-CG 3.83Å
20A97.6Very high95.4Very high0 Ų037.5 Ų37.50%019%0.19CC..Hα-helixtrans-60-39.6176.500000113V12 L16 E17 E23 V24 V40 F59V12-A20 HydrophobicContact CB-CB 4.45Å; V12-A20 HydrophobicContact CG2-CB 4.05Å; L16-A20 PolarHBondContact O-N 2.78Å; L16-A20 VanDerWaalsContact O-N 3.08Å; E17-A20 CarbonylContact O-C 3.54Å; E17-A20 WeakPolarHBondContact O-CA 3.22Å; E17-A20 WeakPolarHBondContact O-CB 3.31Å; E17-A20 PolarHBondContact O-N 3.42Å; A20-E23 WeakPolarHBondContact O-CB 3.38Å; A20-E23 PolarHBondContact O-N 3.24Å; A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.05Å; A20-V24 VanDerWaalsContact O-N 3.11Å; A20-V40 HydrophobicContact CB-CG2 3.82Å; A20-F59 HydrophobicContact CB-CE1 3.72Å; A20-F59 HydrophobicContact CB-CZ 3.71Å
21V97.4Very high94.5Very high7 Ų747.2 Ų47.24%0.04223%0.228CC..Hα-helixtrans-57.3-51.3174.31700000111.4E17 Q18 T19 E23 V24 Q25 V33 Y35 V40E17-V21 WeakPolarHBondContact O-CG2 3.32Å; E17-V21 PolarHBondContact O-N 3.19Å; Q18-V21 PolarHBondContact O-N 3.38Å; T19-V21 VanDerWaalsContact C-N 3.31Å; T19-V21 PolarHBondContact O-N 3.37Å; V21-E23 VanDerWaalsContact C-N 3.28Å; V21-E23 PolarHBondContact O-N 2.72Å; V21-V24 PolarHBondContact O-N 2.87Å; V21-V24 VanDerWaalsContact O-N 3.17Å; V21-Q25 HydrophobicContact CG1-CG 4.33Å; V21-Q25 WeakPolarHBondContact O-CG 3.38Å; V21-Q25 PolarHBondContact O-N 3.39Å; V21-V33 HydrophobicContact CB-CG1 4.13Å; V21-V33 HydrophobicContact CG1-CB 4.14Å; V21-V33 HydrophobicContact CG1-CG1 3.87Å; V21-V33 HydrophobicContact CG2-CG1 3.88Å; V21-Y35 HydrophobicContact CG2-CD1 3.66Å; V21-Y35 HydrophobicContact CG2-CE1 4.45Å; V21-Y35 HydrophobicContact CG2-CG 4.28Å; V21-V40 HydrophobicContact CG2-CG1 3.92Å; V21-V40 HydrophobicContact CG2-CG2 4.37Å
22E96.1Very high94Very high76 Ų7647.7 Ų47.736%0.35524%0.24SC..Hα-helixtrans-61-34.4178.1-81169.2-156.400112.1Q18 T19 E26 R212Q18-E22 PolarHBondContact O-N 2.95Å; Q18-E22 VanDerWaalsContact O-N 3.09Å; T19-E22 PolarHBondContact O-N 3.17Å; E22-E26 VanDerWaalsContact O-CB 3.26Å; E22-E26 WeakPolarHBondContact O-CB 3.28Å; E22-E26 PolarHBondContact O-N 3.05Å; E22-R212 IonicContact OE2-CZ 3.67Å; E22-R212 IonicContact OE2-NH2 3.86Å; E22-R212 PolarHBondContact OE2-NH2 2.86Å
23E96.9Very high93.9Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-63.4-45.7174.3-179.1-178.4-166.500111T19 A20 V21 E26 K27 L56 R57 S58 Y208T19-E23 PolarHBondContact O-N 3.3Å; A20-E23 WeakPolarHBondContact O-CB 3.38Å; A20-E23 PolarHBondContact O-N 3.24Å; V21-E23 VanDerWaalsContact C-N 3.28Å; V21-E23 PolarHBondContact O-N 2.72Å; E23-E26 PolarHBondContact O-N 2.89Å; E23-K27 HydrophobicContact CG-CD 3.97Å; E23-K27 WeakPolarHBondContact O-CB 3.45Å; E23-K27 WeakPolarHBondContact O-CG 3.49Å; E23-K27 PolarHBondContact O-N 3.12Å; E23-K27 IonicContact OE1-NZ 3.8Å; E23-K27 PolarHBondContact OE1-NZ 3.36Å; E23-L56 HydrophobicContact CG-CD2 3.71Å; E23-L56 WeakPolarHBondContact OE1-CA 3.11Å; E23-R57 PolarHBondContact OE1-N 2.8Å; E23-R57 PolarHBondContact OE2-N 3.09Å; E23-S58 WeakPolarHBondContact OE2-CB 3.27Å; E23-S58 PolarHBondContact OE2-N 3.02Å; E23-S58 PolarHBondContact OE2-OG 3.08Å; E23-Y208 HydrophobicContact CG-CE1 4.33Å; E23-Y208 WeakPolarHBondContact OE2-CE1 3.47Å
24V97.1Very high93.9Very high0 Ų051.8 Ų51.80%026%0.255CS..Hα-helixtrans-65.1-45.5-179.1172.30000110.2A20 V21 E26 K27 F28 C30 V33 F42 L56 F59A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.05Å; A20-V24 VanDerWaalsContact O-N 3.11Å; V21-V24 PolarHBondContact O-N 2.87Å; V21-V24 VanDerWaalsContact O-N 3.17Å; V24-E26 VanDerWaalsContact C-N 3.33Å; V24-E26 PolarHBondContact O-N 3.37Å; V24-K27 PolarHBondContact O-N 2.82Å; V24-F28 HydrophobicContact CG1-CD2 4.15Å; V24-F28 PolarHBondContact O-N 3.36Å; V24-C30 VanDerWaalsContact CG1-SG 3.52Å; V24-V33 HydrophobicContact CB-CG2 4.36Å; V24-V33 HydrophobicContact CG1-CG1 4.49Å; V24-V33 HydrophobicContact CG1-CG2 3.71Å; V24-F42 HydrophobicContact CG1-CB 3.6Å; V24-F42 HydrophobicContact CG1-CD1 4.19Å; V24-F42 HydrophobicContact CG1-CD2 3.89Å; V24-F42 HydrophobicContact CG1-CG 3.65Å; V24-F42 HydrophobicContact CG2-CD1 4Å; V24-F42 HydrophobicContact CG2-CE1 4.17Å; V24-F42 HydrophobicContact CG2-CG 4.28Å; V24-L56 HydrophobicContact CG2-CD1 4.27Å; V24-L56 HydrophobicContact CG2-CD2 4.17Å; V24-F59 HydrophobicContact CG2-CE2 3.79Å; V24-F59 HydrophobicContact CG2-CZ 3.9Å
25Q96Very high93.9Very high67 Ų6756.5 Ų56.531%0.31327%0.271SS..Hα-helixtrans-60-42.2176.5-73.4176.5-22.600112V21 Q29 C30 V33V21-Q25 HydrophobicContact CG1-CG 4.33Å; V21-Q25 WeakPolarHBondContact O-CG 3.38Å; V21-Q25 PolarHBondContact O-N 3.39Å; Q25-Q29 WeakPolarHBondContact O-CA 3.21Å; Q25-Q29 PolarHBondContact O-N 2.81Å; Q25-C30 WeakPolarHBondContact CG-O 3.26Å; Q25-V33 HydrophobicContact CG-CG2 4.04Å
26E94.3Very high93.7Very high139 Ų13957.4 Ų57.465%0.6527%0.27SS*.Hα-helixtrans-64.9-46.3177.8-176.7-173.2157.700112E22 E23 V24E22-E26 VanDerWaalsContact O-CB 3.26Å; E22-E26 WeakPolarHBondContact O-CB 3.28Å; E22-E26 PolarHBondContact O-N 3.05Å; E23-E26 PolarHBondContact O-N 2.89Å; V24-E26 VanDerWaalsContact C-N 3.33Å; V24-E26 PolarHBondContact O-N 3.37Å
27K94.8Very high93.5Very high89 Ų8965.6 Ų65.639%0.38730%0.301SS..Hα-helixtrans-80.7-31.9-172.3-74.8-178.5172.9176.20114.7E23 V24 G55 L56E23-K27 HydrophobicContact CG-CD 3.97Å; E23-K27 WeakPolarHBondContact O-CB 3.45Å; E23-K27 WeakPolarHBondContact O-CG 3.49Å; E23-K27 PolarHBondContact O-N 3.12Å; E23-K27 IonicContact OE1-NZ 3.8Å; E23-K27 PolarHBondContact OE1-NZ 3.36Å; V24-K27 PolarHBondContact O-N 2.82Å; K27-G55 PolarHBondContact NZ-O 2.87Å; K27-L56 HydrophobicContact CD-CD2 3.83Å
28F94.9Very high93.3Very high15 Ų1565 Ų657%0.06630%0.3CS..Hα-helixtrans-114.1-3.4-175.2-63.6-76.9000113.6V24 C30 L44 E48 K52 V53 L56V24-F28 HydrophobicContact CG1-CD2 4.15Å; V24-F28 PolarHBondContact O-N 3.36Å; F28-C30 HydrophobicContact CB-CB 4.3Å; F28-C30 PolarHBondContact O-N 3.14Å; F28-L44 HydrophobicContact CB-CD2 3.64Å; F28-L44 HydrophobicContact CD1-CD1 3.96Å; F28-L44 HydrophobicContact CD1-CD2 3.87Å; F28-L44 HydrophobicContact CD2-CD2 4.26Å; F28-L44 HydrophobicContact CE1-CD1 3.91Å; F28-L44 HydrophobicContact CE2-CD1 4.5Å; F28-L44 HydrophobicContact CG-CD1 4.29Å; F28-L44 HydrophobicContact CG-CD2 3.66Å; F28-L44 HydrophobicContact CZ-CD1 4.19Å; F28-E48 HydrophobicContact CD1-CG 4.4Å; F28-K52 HydrophobicContact CE1-CB 3.9Å; F28-K52 HydrophobicContact CZ-CB 3.97Å; F28-V53 HydrophobicContact CE1-CG2 4.09Å; F28-V53 HydrophobicContact CZ-CB 4.38Å; F28-V53 HydrophobicContact CZ-CG2 3.74Å; F28-L56 HydrophobicContact CE2-CD1 3.98Å; F28-L56 HydrophobicContact CE2-CD2 3.97Å; F28-L56 HydrophobicContact CE2-CG 4.15Å
29Q90.4Very high93.3Very high163 Ų16363 Ų6376%0.76229%0.291SS*.  trans53.626.2-176.1-55.8-175.9-30.600112.9Q25Q25-Q29 WeakPolarHBondContact O-CA 3.21Å; Q25-Q29 PolarHBondContact O-N 2.81Å
30C84.6Confident93.3Very high17 Ų1762.9 Ų62.912%0.11529%0.289CS..  trans-96.9129.7-176.971.20000111V24 Q25 F28 V33 L44V24-C30 VanDerWaalsContact CG1-SG 3.52Å; Q25-C30 WeakPolarHBondContact CG-O 3.26Å; F28-C30 HydrophobicContact CB-CB 4.3Å; F28-C30 PolarHBondContact O-N 3.14Å; C30-V33 WeakPolarHBondContact O-CG2 3.44Å; C30-V33 VanDerWaalsContact SG-CG2 3.58Å; C30-L44 HydrophobicContact CB-CD2 4.22Å
31Y78.6Confident93.3Very high204 Ų20463 Ų6380%0.829%0.29SS*.  trans-93-14.3177.3-61.6-80.1000113.3V33Y31-V33 PolarHBondContact O-N 2.73Å
32G86.9Confident93.3Very high49 Ų4962.7 Ų62.751%0.50529%0.288SS..  trans-76.551.2177.300000113.3L43G32-L43 PolarHBondContact O-N 2.86Å
33V94.3Very high93.2Very high23 Ų2362.2 Ų62.214%0.13929%0.288CS..EExtended strand (participates in β ladder)trans-110.6126.2179-169.10000109.1V21 V24 Q25 C30 Y31 V40 Y41 F42V21-V33 HydrophobicContact CB-CG1 4.13Å; V21-V33 HydrophobicContact CG1-CB 4.14Å; V21-V33 HydrophobicContact CG1-CG1 3.87Å; V21-V33 HydrophobicContact CG2-CG1 3.88Å; V24-V33 HydrophobicContact CB-CG2 4.36Å; V24-V33 HydrophobicContact CG1-CG1 4.49Å; V24-V33 HydrophobicContact CG1-CG2 3.71Å; Q25-V33 HydrophobicContact CG-CG2 4.04Å; C30-V33 WeakPolarHBondContact O-CG2 3.44Å; C30-V33 VanDerWaalsContact SG-CG2 3.58Å; Y31-V33 PolarHBondContact O-N 2.73Å; V33-V40 HydrophobicContact CG1-CG1 3.51Å; V33-Y41 WeakPolarHBondContact CA-O 3.5Å; V33-F42 HydrophobicContact CB-CB 4.5Å; V33-F42 HydrophobicContact CG1-CB 4.22Å; V33-F42 HydrophobicContact CG2-CB 3.99Å
34R94.6Very high93.1Very high83 Ų8362.5 Ų62.531%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-127.4159.5174.961.7178.3176.891-3.4109.6D36 Y41 D68 R177R34-D36 IonicContact NH1-OD2 3.49Å; R34-Y41 HydrophobicContact CG-CD2 3.94Å; R34-Y41 HydrophobicContact CG-CG 4.3Å; R34-Y41 PolarHBondContact N-O 3.47Å; R34-Y41 PolarHBondContact O-N 3.13Å; R34-Y41 VanDerWaalsContact O-O 3.13Å; R34-D68 IonicContact CZ-OD2 2.89Å; R34-D68 IonicContact NH2-OD2 3.31Å; R34-D68 PolarHBondContact NH2-OD2 3.23Å; R34-R177 VanDerWaalsContact CZ-NH2 3.34Å
35Y95.2Very high92.8Very high115 Ų11564.1 Ų64.145%0.45130%0.3SS..EExtended strand (participates in β ladder)trans-141.8147.5176.269.9-91000111.4E17 V21 H39E17-Y35 HydrophobicContact CB-CD2 3.42Å; E17-Y35 VanDerWaalsContact CB-CD2 3.42Å; E17-Y35 HydrophobicContact CB-CE2 3.97Å; E17-Y35 HydrophobicContact CB-CG 3.73Å; E17-Y35 HydrophobicContact CG-CD2 3.79Å; E17-Y35 HydrophobicContact CG-CE2 4.46Å; E17-Y35 HydrophobicContact CG-CG 4.39Å; V21-Y35 HydrophobicContact CG2-CD1 3.66Å; V21-Y35 HydrophobicContact CG2-CE1 4.45Å; V21-Y35 HydrophobicContact CG2-CG 4.28Å; Y35-H39 CarbonylContact C-O 3.6Å; Y35-H39 WeakPolarHBondContact CA-O 3.34Å; Y35-H39 VanDerWaalsContact CB-O 3.27Å; Y35-H39 WeakPolarHBondContact CB-O 3.33Å
36D92.4Very high92.5Very high45 Ų4562 Ų6224%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-113.8176.7165.9-58.4-43.4000107.4R34 G38 H39 Y41 R177R34-D36 IonicContact NH1-OD2 3.49Å; D36-G38 PolarHBondContact O-N 3.39Å; D36-H39 PolarHBondContact N-O 2.81Å; D36-H39 PolarHBondContact O-N 2.87Å; D36-H39 VanDerWaalsContact O-N 3.07Å; D36-Y41 HydrophobicContact CB-CE2 4.2Å; D36-Y41 WeakPolarHBondContact OD2-CE2 3.42Å; D36-Y41 PolarHBondContact OD2-OH 3.1Å; D36-R177 IonicContact OD2-NH1 2.68Å; D36-R177 PolarHBondContact OD2-NH1 3.1Å
37R91.2Very high92.2Very high175 Ų17563.9 Ų63.966%0.6630%0.301SS*.THydrogen-bonded Turntrans-60.4112.5-178.7-176.8-178.4-179.8178.71.6111.2H39R37-H39 VanDerWaalsContact C-N 3.32Å; R37-H39 PolarHBondContact O-CD2 3.03Å
38G93.9Very high92.1Very high6 Ų662.3 Ų62.36%0.06230%0.296CS..THydrogen-bonded Turntrans77.76.7-179.400000115.9T11 V12 E17 D36T11-G38 WeakPolarHBondContact CA-O 3.37Å; V12-G38 PolarHBondContact N-O 2.85Å; V12-G38 CarbonylContact O-C 3.41Å; V12-G38 VanDerWaalsContact O-CA 3.3Å; V12-G38 WeakPolarHBondContact O-CA 3.36Å; E17-G38 PolarHBondContact OE1-N 3.45Å; D36-G38 PolarHBondContact O-N 3.39Å
39H95.6Very high91.9Very high47 Ų4766.8 Ų66.822%0.21832%0.316CS..EExtended strand (participates in β ladder)trans-137.2134.9-177.9-63.4-97.7000110.8E9 G10 Y35 D36 R37 Y41E9-H39 IonicContact OE1-CE1 2.75Å; E9-H39 PolarHBondContact OE1-CE1 3.38Å; E9-H39 IonicContact OE1-CG 2.69Å; E9-H39 IonicContact OE1-ND1 2.96Å; E9-H39 PolarHBondContact OE1-ND1 2.88Å; G10-H39 WeakPolarHBondContact O-CA 3.19Å; Y35-H39 CarbonylContact C-O 3.6Å; Y35-H39 WeakPolarHBondContact CA-O 3.34Å; Y35-H39 VanDerWaalsContact CB-O 3.27Å; Y35-H39 WeakPolarHBondContact CB-O 3.33Å; D36-H39 PolarHBondContact N-O 2.81Å; D36-H39 PolarHBondContact O-N 2.87Å; D36-H39 VanDerWaalsContact O-N 3.07Å; R37-H39 VanDerWaalsContact C-N 3.32Å; R37-H39 PolarHBondContact O-CD2 3.03Å; H39-Y41 HydrophobicContact CB-CE2 3.95Å; H39-Y41 WeakPolarHBondContact CB-OH 3.32Å
40V97.5Very high92.1Very high0 Ų059.9 Ų59.90%029%0.285CS..EExtended strand (participates in β ladder)trans-119.4139.1170.9-175.60000108.9E9 G10 V12 E17 A20 V21 V33 F42 F59E9-V40 CarbonylContact C-O 3.51Å; E9-V40 WeakPolarHBondContact CA-O 3.41Å; G10-V40 PolarHBondContact N-O 3.37Å; G10-V40 PolarHBondContact O-N 3Å; V12-V40 HydrophobicContact CG1-CG2 4.01Å; E17-V40 HydrophobicContact CB-CG2 4.38Å; A20-V40 HydrophobicContact CB-CG2 3.82Å; V21-V40 HydrophobicContact CG2-CG1 3.92Å; V21-V40 HydrophobicContact CG2-CG2 4.37Å; V33-V40 HydrophobicContact CG1-CG1 3.51Å; V40-F42 HydrophobicContact CG1-CD1 4.42Å; V40-F59 HydrophobicContact CB-CE1 3.64Å; V40-F59 HydrophobicContact CB-CZ 3.91Å; V40-F59 HydrophobicContact CG1-CE1 4.47Å; V40-F59 HydrophobicContact CG1-CZ 4.25Å; V40-F59 HydrophobicContact CG2-CE1 3.8Å; V40-F59 HydrophobicContact CG2-CZ 4.26Å
41Y96.7Very high92.5Very high2 Ų262 Ų621%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-122.2136177.9-43-98.5000109.2F8 E9 V33 R34 D36 H39 R179F8-Y41 WeakPolarHBondContact O-CA 3.4Å; E9-Y41 HydrophobicContact CB-CD1 3.85Å; E9-Y41 HydrophobicContact CB-CE1 4.02Å; E9-Y41 VanDerWaalsContact CD-CE1 3.47Å; E9-Y41 HydrophobicContact CG-CD1 3.93Å; E9-Y41 HydrophobicContact CG-CE1 3.63Å; V33-Y41 WeakPolarHBondContact CA-O 3.5Å; R34-Y41 HydrophobicContact CG-CD2 3.94Å; R34-Y41 HydrophobicContact CG-CG 4.3Å; R34-Y41 PolarHBondContact N-O 3.47Å; R34-Y41 PolarHBondContact O-N 3.13Å; R34-Y41 VanDerWaalsContact O-O 3.13Å; D36-Y41 HydrophobicContact CB-CE2 4.2Å; D36-Y41 WeakPolarHBondContact OD2-CE2 3.42Å; D36-Y41 PolarHBondContact OD2-OH 3.1Å; H39-Y41 HydrophobicContact CB-CE2 3.95Å; H39-Y41 WeakPolarHBondContact CB-OH 3.32Å; Y41-R179 VanDerWaalsContact CE1-NH1 3.3Å; Y41-R179 PolarHBondContact OH-NH1 3.22Å; Y41-R179 PolarHBondContact OH-NH2 2.65Å
42F96.7Very high93.3Very high1 Ų157.5 Ų57.50%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-144140.1-17850.4-83.4000110.9F8 V24 V33 V40 L44 V53 L56 F59 L62F8-F42 HydrophobicContact CB-CD1 4.37Å; F8-F42 HydrophobicContact CB-CD2 3.9Å; F8-F42 HydrophobicContact CB-CE1 3.96Å; F8-F42 HydrophobicContact CB-CE2 3.44Å; F8-F42 VanDerWaalsContact CB-CE2 3.44Å; F8-F42 HydrophobicContact CB-CG 4.33Å; F8-F42 HydrophobicContact CB-CZ 3.47Å; F8-F42 VanDerWaalsContact CB-CZ 3.47Å; F8-F42 HydrophobicContact CD2-CD2 4.29Å; F8-F42 HydrophobicContact CD2-CE2 4.04Å; F8-F42 HydrophobicContact CG-CD2 4.42Å; F8-F42 AromaticContact CG-CE2 3.86Å; F8-F42 HydrophobicContact CG-CE2 3.86Å; F8-F42 HydrophobicContact CG-CZ 4.24Å; F8-F42 PolarHBondContact N-O 3.38Å; F8-F42 PolarHBondContact O-N 2.93Å; V24-F42 HydrophobicContact CG1-CB 3.6Å; V24-F42 HydrophobicContact CG1-CD1 4.19Å; V24-F42 HydrophobicContact CG1-CD2 3.89Å; V24-F42 HydrophobicContact CG1-CG 3.65Å; V24-F42 HydrophobicContact CG2-CD1 4Å; V24-F42 HydrophobicContact CG2-CE1 4.17Å; V24-F42 HydrophobicContact CG2-CG 4.28Å; V33-F42 HydrophobicContact CB-CB 4.5Å; V33-F42 HydrophobicContact CG1-CB 4.22Å; V33-F42 HydrophobicContact CG2-CB 3.99Å; V40-F42 HydrophobicContact CG1-CD1 4.42Å; F42-L44 HydrophobicContact CD2-CD1 3.95Å; F42-L44 HydrophobicContact CD2-CD2 4.21Å; F42-L44 HydrophobicContact CD2-CG 3.91Å; F42-L44 HydrophobicContact CE2-CD1 3.9Å; F42-L44 HydrophobicContact CE2-CG 4.36Å; F42-V53 HydrophobicContact CE2-CG1 3.99Å; F42-V53 HydrophobicContact CZ-CG1 3.96Å; F42-L56 HydrophobicContact CE1-CD1 4.37Å; F42-L56 HydrophobicContact CE2-CD1 4.15Å; F42-L56 HydrophobicContact CZ-CD1 3.66Å; F42-F59 HydrophobicContact CE1-CE2 4.2Å; F42-F59 HydrophobicContact CE1-CZ 4.17Å; F42-L62 HydrophobicContact CE1-CD2 4.45Å; F42-L62 HydrophobicContact CZ-CD2 4.15Å
43L94.9Very high93.7Very high67 Ų6755.1 Ų55.135%0.35126%0.26SS..EExtended strand (participates in β ladder)trans-100.9124.4-177-168.575000109.4N5 R6 T7 G32N5-L43 HydrophobicContact CB-CD1 3.59Å; N5-L43 HydrophobicContact CB-CD2 3.75Å; N5-L43 HydrophobicContact CB-CG 3.54Å; N5-L43 WeakPolarHBondContact ND2-CD2 3.46Å; R6-L43 WeakPolarHBondContact O-CA 3.47Å; T7-L43 VanDerWaalsContact OG1-CD1 3.23Å; T7-L43 WeakPolarHBondContact OG1-CD1 3.42Å; G32-L43 PolarHBondContact O-N 2.86Å
44L94.3Very high93.8Very high6 Ų656.5 Ų56.53%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-121.9151.4-179.7-60.4-177.8000111.6N5 R6 F8 F28 C30 F42 E48 V53N5-L44 WeakPolarHBondContact CA-O 3.36Å; R6-L44 PolarHBondContact N-O 2.83Å; R6-L44 PolarHBondContact O-N 3.24Å; F8-L44 HydrophobicContact CD2-CB 4.32Å; F8-L44 HydrophobicContact CD2-CD1 3.87Å; F8-L44 HydrophobicContact CD2-CG 4.07Å; F8-L44 HydrophobicContact CE2-CB 4.02Å; F8-L44 HydrophobicContact CE2-CD1 3.83Å; F8-L44 HydrophobicContact CE2-CG 4.16Å; F28-L44 HydrophobicContact CB-CD2 3.64Å; F28-L44 HydrophobicContact CD1-CD1 3.96Å; F28-L44 HydrophobicContact CD1-CD2 3.87Å; F28-L44 HydrophobicContact CD2-CD2 4.26Å; F28-L44 HydrophobicContact CE1-CD1 3.91Å; F28-L44 HydrophobicContact CE2-CD1 4.5Å; F28-L44 HydrophobicContact CG-CD1 4.29Å; F28-L44 HydrophobicContact CG-CD2 3.66Å; F28-L44 HydrophobicContact CZ-CD1 4.19Å; C30-L44 HydrophobicContact CB-CD2 4.22Å; F42-L44 HydrophobicContact CD2-CD1 3.95Å; F42-L44 HydrophobicContact CD2-CD2 4.21Å; F42-L44 HydrophobicContact CD2-CG 3.91Å; F42-L44 HydrophobicContact CE2-CD1 3.9Å; F42-L44 HydrophobicContact CE2-CG 4.36Å; L44-E48 HydrophobicContact CB-CB 4.16Å; L44-E48 HydrophobicContact CB-CG 4.09Å; L44-E48 HydrophobicContact CD1-CB 4.37Å; L44-V53 HydrophobicContact CD1-CG2 3.55Å
45S91.1Very high93.8Very high33 Ų3354.5 Ų54.523%0.23127%0.271CS..  trans-60.5146.4169.8172.20000109.9E47 E48S45-E47 PolarHBondContact O-N 3Å; S45-E47 VanDerWaalsContact O-N 3.1Å; S45-E47 VanDerWaalsContact OG-CD 3.24Å; S45-E47 PolarHBondContact OG-N 3.19Å; S45-E47 PolarHBondContact OG-OE2 3.05Å; S45-E48 WeakPolarHBondContact O-CB 3.4Å; S45-E48 PolarHBondContact O-N 3.02Å
46P89.2Confident93.9Very high24 Ų2449.2 Ų49.216%0.15625%0.251CS..THydrogen-bonded Turntrans-56.3-21.1170.8-23.633.3000114.7A3 A4 R6 E48A3-P46 HydrophobicContact CB-CB 3.8Å; A3-P46 HydrophobicContact CB-CG 3.5Å; A3-P46 VanDerWaalsContact O-CG 3.26Å; A3-P46 WeakPolarHBondContact O-CG 3.37Å; A4-P46 WeakPolarHBondContact O-CG 3.38Å; R6-P46 PolarHBondContact NH1-O 3.39Å; R6-P46 PolarHBondContact NH2-O 3.26Å; P46-E48 VanDerWaalsContact C-N 3.3Å
47E88.8Confident94.1Very high177 Ų17749.4 Ų49.483%0.82725%0.248SC*.THydrogen-bonded Turntrans-77.8-16.4178.8-59.9140.6177.900112.4S45S45-E47 PolarHBondContact O-N 3Å; S45-E47 VanDerWaalsContact O-N 3.1Å; S45-E47 VanDerWaalsContact OG-CD 3.24Å; S45-E47 PolarHBondContact OG-N 3.19Å; S45-E47 PolarHBondContact OG-OE2 3.05Å
48E91.9Very high94.4Very high57 Ų5741.1 Ų41.127%0.26622%0.217SC..SBendtrans-66.5136.5-179.6-74.6-64.6170.900111.7F28 L44 S45 P46 I50F28-E48 HydrophobicContact CD1-CG 4.4Å; L44-E48 HydrophobicContact CB-CB 4.16Å; L44-E48 HydrophobicContact CB-CG 4.09Å; L44-E48 HydrophobicContact CD1-CB 4.37Å; S45-E48 WeakPolarHBondContact O-CB 3.4Å; S45-E48 PolarHBondContact O-N 3.02Å; P46-E48 VanDerWaalsContact C-N 3.3Å; E48-I50 PolarHBondContact O-N 3.47Å
49E91.7Very high94.6Very high108 Ų10840.9 Ų40.951%0.50521%0.214SC..  trans-76.7118.7-175.4-149.7-168.6158.100110.2S51 K52E49-S51 VanDerWaalsContact CG-OG 3.31Å; E49-S51 WeakPolarHBondContact CG-OG 3.44Å; E49-S51 PolarHBondContact O-N 2.88Å; E49-S51 PolarHBondContact OE1-OG 3.36Å; E49-K52 HydrophobicContact CB-CD 4.12Å; E49-K52 HydrophobicContact CB-CG 4.16Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 3.03Å; E49-K52 WeakPolarHBondContact OE2-CE 3.49Å
50I93.3Very high94.6Very high18 Ų1839.6 Ų39.69%0.09221%0.209CC..Hα-helixtrans-62.6-29.3-176-53.2-57.6000112F8 E48 K52 V53 L54 V100 V104F8-I50 HydrophobicContact CE1-CD1 4.14Å; F8-I50 HydrophobicContact CZ-CD1 3.62Å; E48-I50 PolarHBondContact O-N 3.47Å; I50-K52 PolarHBondContact O-N 3Å; I50-V53 WeakPolarHBondContact O-CB 3.49Å; I50-V53 PolarHBondContact O-N 3.29Å; I50-L54 PolarHBondContact O-N 2.8Å; I50-V100 HydrophobicContact CD1-CG1 3.94Å; I50-V100 HydrophobicContact CD1-CG2 4.39Å; I50-V100 HydrophobicContact CG1-CG1 4.25Å; I50-V100 HydrophobicContact CG2-CG1 4.28Å; I50-V104 HydrophobicContact CG2-CG2 3.45Å; I50-V104 VanDerWaalsContact CG2-CG2 3.45Å
51S93.7Very high94.6Very high62 Ų6243 Ų4343%0.43423%0.225SC..Hα-helixtrans-55.7-36173.562.50000112.4E49 L54 G55E49-S51 VanDerWaalsContact CG-OG 3.31Å; E49-S51 WeakPolarHBondContact CG-OG 3.44Å; E49-S51 PolarHBondContact O-N 2.88Å; E49-S51 PolarHBondContact OE1-OG 3.36Å; S51-L54 PolarHBondContact O-N 3.14Å; S51-G55 PolarHBondContact O-N 3.42Å
52K95.2Very high94.7Very high109 Ų10943 Ų4347%0.47423%0.225SC..Hα-helixtrans-69.8-36.1176-64.2176.9-174.8173.20112F28 E49 I50 G55F28-K52 HydrophobicContact CE1-CB 3.9Å; F28-K52 HydrophobicContact CZ-CB 3.97Å; E49-K52 HydrophobicContact CB-CD 4.12Å; E49-K52 HydrophobicContact CB-CG 4.16Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 3.03Å; E49-K52 WeakPolarHBondContact OE2-CE 3.49Å; I50-K52 PolarHBondContact O-N 3Å; K52-G55 WeakPolarHBondContact O-CA 3.12Å; K52-G55 PolarHBondContact O-N 3.31Å; K52-G55 VanDerWaalsContact O-N 3.12Å
53V95.9Very high94.7Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-63.1-46.2175.4-176.90000109.7F8 F28 F42 L44 I50 G55 L56 L62F8-V53 HydrophobicContact CD1-CG1 3.91Å; F8-V53 HydrophobicContact CE1-CG1 4.23Å; F8-V53 HydrophobicContact CE1-CG2 4.49Å; F8-V53 HydrophobicContact CG-CG1 4.29Å; F8-V53 HydrophobicContact CZ-CG2 4.42Å; F28-V53 HydrophobicContact CE1-CG2 4.09Å; F28-V53 HydrophobicContact CZ-CB 4.38Å; F28-V53 HydrophobicContact CZ-CG2 3.74Å; F42-V53 HydrophobicContact CE2-CG1 3.99Å; F42-V53 HydrophobicContact CZ-CG1 3.96Å; L44-V53 HydrophobicContact CD1-CG2 3.55Å; I50-V53 WeakPolarHBondContact O-CB 3.49Å; I50-V53 PolarHBondContact O-N 3.29Å; V53-G55 PolarHBondContact O-N 3.07Å; V53-L56 HydrophobicContact CG1-CD1 4.13Å; V53-L56 VanDerWaalsContact O-CB 3.31Å; V53-L56 WeakPolarHBondContact O-CB 3.34Å; V53-L56 VanDerWaalsContact O-CD1 3.29Å; V53-L56 WeakPolarHBondContact O-CD1 3.14Å; V53-L56 VanDerWaalsContact O-CG 3.25Å; V53-L56 WeakPolarHBondContact O-CG 3.37Å; V53-L56 PolarHBondContact O-N 2.94Å; V53-L56 VanDerWaalsContact O-N 3.11Å; V53-L62 HydrophobicContact CG1-CD1 4.26Å; V53-L62 HydrophobicContact CG1-CD2 4.41Å; V53-L62 WeakPolarHBondContact O-CD1 3.47Å
54L95.1Very high94.9Very high52 Ų5240.3 Ų40.327%0.27221%0.212SC..Hα-helixtrans-65.1-21.1174.8-61.6176.5000113.2I50 S51 L56 L62 V104 L184 T185I50-L54 PolarHBondContact O-N 2.8Å; S51-L54 PolarHBondContact O-N 3.14Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.27Å; L54-L62 HydrophobicContact CD2-CD1 4.27Å; L54-V104 HydrophobicContact CD1-CG1 3.84Å; L54-V104 HydrophobicContact CD1-CG2 4.06Å; L54-L184 HydrophobicContact CD2-CB 4.14Å; L54-T185 HydrophobicContact CD2-CG2 4.03Å
55G95.1Very high95Very high40 Ų4040.9 Ų40.941%0.41222%0.215SC..THydrogen-bonded Turntrans-79.7-0.117400000115.3K27 S51 K52 V53K27-G55 PolarHBondContact NZ-O 2.87Å; S51-G55 PolarHBondContact O-N 3.42Å; K52-G55 WeakPolarHBondContact O-CA 3.12Å; K52-G55 PolarHBondContact O-N 3.31Å; K52-G55 VanDerWaalsContact O-N 3.12Å; V53-G55 PolarHBondContact O-N 3.07Å
56L97.1Very high95.3Very high5 Ų539.8 Ų39.83%0.02621%0.207CC..  trans-67.8139.6173.2-68.3162.5000111E23 V24 K27 F28 F42 V53 L54 F59 L62E23-L56 HydrophobicContact CG-CD2 3.71Å; E23-L56 WeakPolarHBondContact OE1-CA 3.11Å; V24-L56 HydrophobicContact CG2-CD1 4.27Å; V24-L56 HydrophobicContact CG2-CD2 4.17Å; K27-L56 HydrophobicContact CD-CD2 3.83Å; F28-L56 HydrophobicContact CE2-CD1 3.98Å; F28-L56 HydrophobicContact CE2-CD2 3.97Å; F28-L56 HydrophobicContact CE2-CG 4.15Å; F42-L56 HydrophobicContact CE1-CD1 4.37Å; F42-L56 HydrophobicContact CE2-CD1 4.15Å; F42-L56 HydrophobicContact CZ-CD1 3.66Å; V53-L56 HydrophobicContact CG1-CD1 4.13Å; V53-L56 VanDerWaalsContact O-CB 3.31Å; V53-L56 WeakPolarHBondContact O-CB 3.34Å; V53-L56 VanDerWaalsContact O-CD1 3.29Å; V53-L56 WeakPolarHBondContact O-CD1 3.14Å; V53-L56 VanDerWaalsContact O-CG 3.25Å; V53-L56 WeakPolarHBondContact O-CG 3.37Å; V53-L56 PolarHBondContact O-N 2.94Å; V53-L56 VanDerWaalsContact O-N 3.11Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.27Å; L56-F59 HydrophobicContact CB-CD2 3.67Å; L56-F59 HydrophobicContact CB-CE2 4.09Å; L56-F59 HydrophobicContact CD1-CD2 3.92Å; L56-F59 HydrophobicContact CD1-CE2 3.76Å; L56-F59 HydrophobicContact CD2-CE2 4.43Å; L56-F59 HydrophobicContact CG-CD2 4.33Å; L56-F59 HydrophobicContact CG-CE2 4.32Å; L56-L62 HydrophobicContact CD1-CD2 4.44Å
57R97.3Very high95.7Very high48 Ų4839.9 Ų39.918%0.18121%0.206CC..SBendtrans-107.9-16.8-169.5-59.7-167.976.492.7-2.4113.7E23 R192 T205 Y208 E235 N238 C239E23-R57 PolarHBondContact OE1-N 2.8Å; E23-R57 PolarHBondContact OE2-N 3.09Å; R57-R192 VanDerWaalsContact NH2-NE 3.19Å; R57-R192 PolarHBondContact O-NH1 3.03Å; R57-R192 PolarHBondContact O-NH2 3.36Å; R57-T205 WeakPolarHBondContact O-CG2 3.39Å; R57-Y208 HydrophobicContact CB-CD1 3.75Å; R57-Y208 HydrophobicContact CB-CD2 3.94Å; R57-Y208 HydrophobicContact CB-CE1 3.79Å; R57-Y208 HydrophobicContact CB-CE2 4Å; R57-Y208 HydrophobicContact CB-CG 3.82Å; R57-E235 IonicContact CZ-OE1 3.04Å; R57-E235 VanDerWaalsContact CZ-OE1 3.31Å; R57-E235 IonicContact CZ-OE2 2.69Å; R57-E235 IonicContact NE-OE1 3.78Å; R57-E235 PolarHBondContact NE-OE1 3.42Å; R57-E235 IonicContact NE-OE2 2.81Å; R57-E235 VanDerWaalsContact NH2-CD 3.32Å; R57-E235 IonicContact NH2-OE1 2.67Å; R57-E235 PolarHBondContact NH2-OE1 2.95Å; R57-E235 VanDerWaalsContact NH2-OE1 3.09Å; R57-E235 IonicContact NH2-OE2 3.19Å; R57-E235 PolarHBondContact NH2-OE2 3.08Å; R57-N238 PolarHBondContact NH1-ND2 3.2Å; R57-N238 PolarHBondContact NH2-ND2 2.94Å; R57-C239 WeakPolarHBondContact CD-SG 3.38Å; R57-C239 PolarHBondContact NE-SG 3.28Å
58S97.8Very high96Very high2 Ų233.5 Ų33.51%0.01418%0.177CC..SBendtrans-77.3-21.3178.5-54.80000113.8E23 Y208E23-S58 WeakPolarHBondContact OE2-CB 3.27Å; E23-S58 PolarHBondContact OE2-N 3.02Å; E23-S58 PolarHBondContact OE2-OG 3.08Å; S58-Y208 WeakPolarHBondContact OG-CD1 3.48Å; S58-Y208 WeakPolarHBondContact OG-CE1 3.49Å
59F97.9Very high96.2Very high0 Ų034.1 Ų34.10%018%0.18CC..  trans-94.8142.6-170.4-59-66.5000113.1G10 T11 V12 A20 V24 V40 F42 L56 L62 L189 T205G10-F59 VanDerWaalsContact C-CD1 3.4Å; G10-F59 VanDerWaalsContact CA-CD1 3.42Å; T11-F59 CarbonylContact O-C 3.6Å; T11-F59 VanDerWaalsContact O-CA 3.26Å; T11-F59 WeakPolarHBondContact O-CA 3.4Å; V12-F59 HydrophobicContact CB-CD1 4.25Å; V12-F59 HydrophobicContact CB-CE1 4.42Å; A20-F59 HydrophobicContact CB-CE1 3.72Å; A20-F59 HydrophobicContact CB-CZ 3.71Å; V24-F59 HydrophobicContact CG2-CE2 3.79Å; V24-F59 HydrophobicContact CG2-CZ 3.9Å; V40-F59 HydrophobicContact CB-CE1 3.64Å; V40-F59 HydrophobicContact CB-CZ 3.91Å; V40-F59 HydrophobicContact CG1-CE1 4.47Å; V40-F59 HydrophobicContact CG1-CZ 4.25Å; V40-F59 HydrophobicContact CG2-CE1 3.8Å; V40-F59 HydrophobicContact CG2-CZ 4.26Å; F42-F59 HydrophobicContact CE1-CE2 4.2Å; F42-F59 HydrophobicContact CE1-CZ 4.17Å; L56-F59 HydrophobicContact CB-CD2 3.67Å; L56-F59 HydrophobicContact CB-CE2 4.09Å; L56-F59 HydrophobicContact CD1-CD2 3.92Å; L56-F59 HydrophobicContact CD1-CE2 3.76Å; L56-F59 HydrophobicContact CD2-CE2 4.43Å; L56-F59 HydrophobicContact CG-CD2 4.33Å; L56-F59 HydrophobicContact CG-CE2 4.32Å; F59-L62 HydrophobicContact CB-CD2 4.03Å; F59-L62 HydrophobicContact CB-CG 4.17Å; F59-L62 HydrophobicContact CD2-CD2 3.84Å; F59-L62 HydrophobicContact CG-CD2 3.93Å; F59-L189 WeakPolarHBondContact O-CB 3.49Å; F59-T205 WeakPolarHBondContact O-CG2 3.29Å
60N96.1Very high96.2Very high20 Ų2038.2 Ų38.211%0.10719%0.191CC..SBendtrans-82-43173.3-65.8-37.5000111.2T11 C188 L189 T205T11-N60 PolarHBondContact O-N 3.49Å; N60-C188 CarbonylContact O-C 3.56Å; N60-C188 WeakPolarHBondContact O-CA 3.32Å; N60-L189 PolarHBondContact O-N 2.91Å; N60-T205 WeakPolarHBondContact OD1-CG2 3.45Å; N60-T205 PolarHBondContact OD1-OG1 2.81Å
61H97Very high96.3Very high73 Ų7341.9 Ų41.934%0.33821%0.211SC..EExtended strand (participates in β ladder)trans-141.6147.3176.5-63.8-87.6000109.2G10 T11 T185 C188G10-H61 WeakPolarHBondContact CA-O 3.29Å; T11-H61 PolarHBondContact N-O 3.49Å; T11-H61 WeakPolarHBondContact OG1-CB 3.17Å; T11-H61 PolarHBondContact OG1-N 2.93Å; T11-H61 PolarHBondContact OG1-O 3.04Å; H61-T185 WeakPolarHBondContact CA-OG1 3.34Å; H61-C188 VanDerWaalsContact CE1-CA 3.5Å; H61-C188 WeakPolarHBondContact CE1-CA 3.46Å
62L98.1Very high96.2Very high2 Ų239.1 Ų39.11%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-119.7144.9176.4-70.8161.7000109.8E9 F42 V53 L54 L56 F59 L184 T185 L189E9-L62 CarbonylContact O-C 3.5Å; E9-L62 WeakPolarHBondContact O-CA 3.25Å; F42-L62 HydrophobicContact CE1-CD2 4.45Å; F42-L62 HydrophobicContact CZ-CD2 4.15Å; V53-L62 HydrophobicContact CG1-CD1 4.26Å; V53-L62 HydrophobicContact CG1-CD2 4.41Å; V53-L62 WeakPolarHBondContact O-CD1 3.47Å; L54-L62 HydrophobicContact CD2-CD1 4.27Å; L56-L62 HydrophobicContact CD1-CD2 4.44Å; F59-L62 HydrophobicContact CB-CD2 4.03Å; F59-L62 HydrophobicContact CB-CG 4.17Å; F59-L62 HydrophobicContact CD2-CD2 3.84Å; F59-L62 HydrophobicContact CG-CD2 3.93Å; L62-L184 PolarHBondContact O-N 2.89Å; L62-T185 HydrophobicContact CB-CG2 4.08Å; L62-T185 PolarHBondContact N-OG1 2.82Å; L62-T185 VanDerWaalsContact N-OG1 3.12Å; L62-L189 HydrophobicContact CD1-CD1 3.84Å; L62-L189 HydrophobicContact CG-CD1 4.31Å
63S97.8Very high96Very high6 Ų637.2 Ų37.24%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-142.6152.7175.449.70000111.1F8 E9 L182F8-S63 WeakPolarHBondContact CA-O 3.31Å; E9-S63 PolarHBondContact N-O 3.47Å; E9-S63 PolarHBondContact O-N 2.91Å; E9-S63 PolarHBondContact O-OG 2.99Å; S63-L182 CarbonylContact C-O 3.59Å; S63-L182 WeakPolarHBondContact CA-O 3.09Å; S63-L182 WeakPolarHBondContact CB-O 3.41Å
64I97.6Very high95.5Very high5 Ų538 Ų383%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-88.4133.5165-175.374000108.5R6 T7 F8 L66 V100 G181 L182 L184R6-I64 HydrophobicContact CB-CD1 3.89Å; R6-I64 HydrophobicContact CG-CD1 4.5Å; T7-I64 VanDerWaalsContact O-CD1 3.25Å; T7-I64 WeakPolarHBondContact O-CD1 3.41Å; F8-I64 HydrophobicContact CD1-CD1 4.02Å; F8-I64 HydrophobicContact CD2-CD1 4.39Å; F8-I64 HydrophobicContact CE1-CD1 3.78Å; F8-I64 HydrophobicContact CE2-CD1 4.15Å; F8-I64 HydrophobicContact CG-CD1 4.32Å; F8-I64 HydrophobicContact CZ-CD1 3.84Å; I64-L66 HydrophobicContact CG2-CD2 4.18Å; I64-V100 HydrophobicContact CB-CG1 4.32Å; I64-V100 HydrophobicContact CD1-CG2 4.34Å; I64-V100 HydrophobicContact CG1-CB 4.49Å; I64-V100 HydrophobicContact CG1-CG2 4.48Å; I64-G181 CarbonylContact O-C 3.53Å; I64-G181 WeakPolarHBondContact O-CA 2.98Å; I64-L182 HydrophobicContact CG2-CB 3.82Å; I64-L182 HydrophobicContact CG2-CG 4.44Å; I64-L182 PolarHBondContact N-O 3.42Å; I64-L182 PolarHBondContact O-N 2.92Å; I64-L184 HydrophobicContact CB-CD1 4.28Å; I64-L184 HydrophobicContact CB-CD2 4.5Å; I64-L184 HydrophobicContact CG2-CD2 4.11Å
65V97.3Very high95.1Very high18 Ų1839.2 Ų39.211%0.10920%0.195CC..EExtended strand (participates in β ladder)trans-88123.1178.4-179.30000108.8T7 E9 L67 D68T7-V65 HydrophobicContact CG2-CB 3.96Å; T7-V65 HydrophobicContact CG2-CG2 3.96Å; T7-V65 WeakPolarHBondContact O-CB 3.36Å; T7-V65 PolarHBondContact O-N 3.29Å; E9-V65 HydrophobicContact CB-CG2 3.68Å; V65-L67 WeakPolarHBondContact CG1-O 3.5Å; V65-D68 HydrophobicContact CG1-CB 4.42Å
66L97.3Very high94.6Very high10 Ų1044.1 Ų44.15%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-93.2-31.2177.8-47.5-169.3000112I64 A92 D93 W94 I180 L182I64-L66 HydrophobicContact CG2-CD2 4.18Å; L66-A92 HydrophobicContact CB-CB 3.85Å; L66-D93 PolarHBondContact O-N 2.99Å; L66-W94 HydrophobicContact CD1-CD2 3.73Å; L66-W94 HydrophobicContact CD1-CE3 3.59Å; L66-W94 HydrophobicContact CD1-CG 4.36Å; L66-W94 HydrophobicContact CD1-CH2 4.13Å; L66-W94 HydrophobicContact CD1-CZ2 4.26Å; L66-W94 HydrophobicContact CD1-CZ3 3.82Å; L66-I180 HydrophobicContact CB-CG2 4.28Å; L66-I180 HydrophobicContact CD1-CG2 4.02Å; L66-I180 HydrophobicContact CG-CG2 4.32Å; L66-I180 PolarHBondContact N-O 3.04Å; L66-L182 HydrophobicContact CD1-CD1 4.41Å; L66-L182 HydrophobicContact CD1-CD2 4.26Å; L66-L182 HydrophobicContact CD1-CG 3.97Å; L66-L182 HydrophobicContact CD2-CD1 4.34Å; L66-L182 HydrophobicContact CD2-CG 4.15Å; L66-L182 HydrophobicContact CG-CG 4.33Å
67L97.1Very high94.4Very high26 Ų2647.7 Ų47.714%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-151.8142.1-178.8-174.167.3000110.1V65 E69 L88 A91 A92 R179 I180V65-L67 WeakPolarHBondContact CG1-O 3.5Å; L67-E69 HydrophobicContact CD2-CB 4.32Å; L67-E69 HydrophobicContact CG-CB 4.39Å; L67-L88 HydrophobicContact CD2-CB 3.84Å; L67-L88 HydrophobicContact CD2-CD2 3.83Å; L67-L88 HydrophobicContact CD2-CG 4.36Å; L67-A91 HydrophobicContact CD1-CB 4.1Å; L67-A91 HydrophobicContact CD2-CB 4.06Å; L67-A92 HydrophobicContact CB-CB 3.81Å; L67-A92 HydrophobicContact CD2-CB 4.48Å; L67-R179 VanDerWaalsContact O-CA 3.29Å; L67-R179 WeakPolarHBondContact O-CA 3.46Å; L67-I180 HydrophobicContact CB-CB 4.23Å; L67-I180 HydrophobicContact CD2-CD1 4.4Å; L67-I180 PolarHBondContact N-O 2.54Å; L67-I180 PolarHBondContact O-N 3.43Å
68D95.2Very high94.2Very high43 Ų4348.5 Ų48.523%0.2324%0.241CC..EExtended strand (participates in β ladder)trans-132.980.8170.4-171.71.7000109R34 V65 R70 R177 R179R34-D68 IonicContact CZ-OD2 2.89Å; R34-D68 IonicContact NH2-OD2 3.31Å; R34-D68 PolarHBondContact NH2-OD2 3.23Å; V65-D68 HydrophobicContact CG1-CB 4.42Å; D68-R70 PolarHBondContact O-N 3.22Å; D68-R177 VanDerWaalsContact CG-NH2 3.29Å; D68-R177 IonicContact OD1-CZ 3.76Å; D68-R177 IonicContact OD1-NE 2.7Å; D68-R177 PolarHBondContact OD1-NE 2.91Å; D68-R177 IonicContact OD1-NH2 3.73Å; D68-R177 PolarHBondContact OD1-NH2 3.46Å; D68-R177 IonicContact OD2-CZ 3.42Å; D68-R177 IonicContact OD2-NE 3.62Å; D68-R177 IonicContact OD2-NH2 2.69Å; D68-R177 PolarHBondContact OD2-NH2 3.12Å; D68-R179 HydrophobicContact CB-CG 4.01Å; D68-R179 VanDerWaalsContact OD1-CG 3.31Å; D68-R179 WeakPolarHBondContact OD1-CG 3.39Å
69E95.9Very high94.1Very high70 Ų7053.9 Ų53.933%0.32727%0.266SS..EExtended strand (participates in β ladder)trans-78.4116.4178-179.450.9-97.200109.1L67 D71 L88 R177 A178L67-E69 HydrophobicContact CD2-CB 4.32Å; L67-E69 HydrophobicContact CG-CB 4.39Å; E69-D71 PolarHBondContact OE1-N 3.06Å; E69-D71 VanDerWaalsContact OE1-N 3.11Å; E69-L88 HydrophobicContact CB-CD2 4.04Å; E69-L88 HydrophobicContact CG-CD2 4.06Å; E69-R177 CarbonylContact O-C 3.49Å; E69-R177 WeakPolarHBondContact O-CA 3.39Å; E69-R177 WeakPolarHBondContact O-CG 3.41Å; E69-A178 HydrophobicContact CB-CB 4.48Å; E69-A178 PolarHBondContact N-O 3.4Å; E69-A178 PolarHBondContact O-N 2.92Å
70R93.4Very high94Very high193 Ų19355.7 Ų55.773%0.72828%0.281SS*.SBendtrans-81.9-23.5-173.9-66.4-172.3-178.4-169.22.7112.7D68D68-R70 PolarHBondContact O-N 3.22Å
71D93.9Very high93.9Very high95 Ų9554.8 Ų54.851%0.50828%0.276SS..  trans-137.869.7-176.8-165.325.9000111.2E69 D73 R176E69-D71 PolarHBondContact OE1-N 3.06Å; E69-D71 VanDerWaalsContact OE1-N 3.11Å; D71-D73 PolarHBondContact O-N 3.24Å; D71-R176 CarbonylContact C-O 3.59Å; D71-R176 WeakPolarHBondContact CA-O 3.46Å; D71-R176 IonicContact OD1-CZ 2.69Å; D71-R176 IonicContact OD1-NE 3.68Å; D71-R176 PolarHBondContact OD1-NE 3.48Å; D71-R176 IonicContact OD1-NH2 3.12Å; D71-R176 PolarHBondContact OD1-NH2 3.42Å; D71-R176 IonicContact OD2-NH2 3.63Å
72L92.1Very high93.9Very high5 Ų552.5 Ų52.53%0.02627%0.266CS..  trans-58.3120.1165.3-18066.4000109I74 N84 V85 L88 I173 R176 A178L72-I74 HydrophobicContact CD2-CG1 4.15Å; L72-I74 HydrophobicContact CG-CG1 4.2Å; L72-I74 PolarHBondContact O-N 2.83Å; L72-N84 HydrophobicContact CD1-CB 4.3Å; L72-V85 HydrophobicContact CD2-CG2 4.09Å; L72-L88 HydrophobicContact CD1-CD1 4.13Å; L72-L88 HydrophobicContact CD1-CD2 4.12Å; L72-L88 HydrophobicContact CD1-CG 4.31Å; L72-I173 HydrophobicContact CD2-CD1 4.42Å; L72-I173 HydrophobicContact CD2-CG2 4.4Å; L72-R176 WeakPolarHBondContact CA-O 3.46Å; L72-R176 VanDerWaalsContact CB-O 3.32Å; L72-R176 WeakPolarHBondContact CB-O 3.25Å; L72-R176 PolarHBondContact N-O 2.78Å; L72-A178 HydrophobicContact CB-CB 4.05Å; L72-A178 HydrophobicContact CD2-CB 3.94Å; L72-A178 HydrophobicContact CG-CB 4.41Å
73D90.8Very high93.8Very high68 Ų6856.1 Ų56.136%0.36428%0.283SS..  trans-7090.3176.8-177.234.9000111.1D71 Q75 N84D71-D73 PolarHBondContact O-N 3.24Å; D73-Q75 PolarHBondContact OD1-NE2 3Å; D73-Q75 PolarHBondContact OD2-NE2 2.99Å; D73-N84 WeakPolarHBondContact CB-ND2 3.36Å; D73-N84 PolarHBondContact O-ND2 3.1Å; D73-N84 PolarHBondContact OD2-ND2 3.17Å
74I85.6Confident93.6Very high18 Ų1856.6 Ų56.69%0.09229%0.285CS..  trans-87.2114.2175.6-63.1161.2000108.6L72 Q136 H137 W175 R176L72-I74 HydrophobicContact CD2-CG1 4.15Å; L72-I74 HydrophobicContact CG-CG1 4.2Å; L72-I74 PolarHBondContact O-N 2.83Å; I74-Q136 WeakPolarHBondContact CG2-O 3.48Å; I74-H137 VanDerWaalsContact CD1-CD2 3.41Å; I74-H137 WeakPolarHBondContact CD1-CD2 3.39Å; I74-H137 VanDerWaalsContact CD1-NE2 3.34Å; I74-H137 WeakPolarHBondContact CD1-NE2 3.43Å; I74-W175 WeakPolarHBondContact CD1-O 3.47Å; I74-R176 HydrophobicContact CD1-CG 4.28Å
75Q86.6Confident93.6Very high77 Ų7756.4 Ų56.436%0.3628%0.284SS..  trans-92.2161.4179.2-63.9-67.5-28.400110.6D73 D77 A80 S81D73-Q75 PolarHBondContact OD1-NE2 3Å; D73-Q75 PolarHBondContact OD2-NE2 2.99Å; Q75-D77 VanDerWaalsContact C-N 3.27Å; Q75-A80 HydrophobicContact CB-CB 4.15Å; Q75-A80 HydrophobicContact CG-CB 4.2Å; Q75-S81 WeakPolarHBondContact CA-OG 3.47Å; Q75-S81 WeakPolarHBondContact CB-OG 2.95Å; Q75-S81 PolarHBondContact N-OG 3.45Å; Q75-S81 PolarHBondContact O-OG 3.11Å
76T84.1Confident93.5Very high142 Ų14258.7 Ų58.787%0.87129%0.292SS*.SBendtrans-68.2-32.7170.145.90000111.7
77D92.7Very high93.5Very high81 Ų8165.3 Ų65.343%0.43332%0.317SS..SBendtrans-74.8131.4172.6-176.2-90.3000110.9Q75 E79 A80 S81Q75-D77 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact OD1-N 2.81Å; D77-E79 VanDerWaalsContact OD1-N 3.13Å; D77-A80 HydrophobicContact CB-CB 4.03Å; D77-A80 WeakPolarHBondContact OD1-CB 3.21Å; D77-A80 PolarHBondContact OD1-N 3.2Å; D77-S81 WeakPolarHBondContact O-CB 3.43Å; D77-S81 PolarHBondContact O-N 3.18Å; D77-S81 PolarHBondContact O-OG 2.9Å
78K94.7Very high93.5Very high65 Ų6564.5 Ų64.528%0.28331%0.313SS..Hα-helixtrans-70.6-47.7-175.2-177.1-177.873.3170.30110.9S81 L82 A138 F139 E143K78-S81 WeakPolarHBondContact O-CB 3.23Å; K78-S81 PolarHBondContact O-N 2.85Å; K78-L82 HydrophobicContact CG-CD1 4.09Å; K78-L82 HydrophobicContact CG-CG 4.46Å; K78-L82 WeakPolarHBondContact O-CG 3.34Å; K78-L82 PolarHBondContact O-N 2.84Å; K78-A138 HydrophobicContact CB-CB 4.13Å; K78-A138 WeakPolarHBondContact CD-O 3.46Å; K78-A138 WeakPolarHBondContact CG-O 3.37Å; K78-F139 HydrophobicContact CD-CB 4.48Å; K78-F139 HydrophobicContact CG-CB 4.05Å; K78-E143 WeakPolarHBondContact CD-OE1 3.45Å; K78-E143 IonicContact NZ-OE1 3Å; K78-E143 PolarHBondContact NZ-OE1 3.31Å
79E95.5Very high93.6Very high114 Ų11462.5 Ų62.553%0.53330%0.302SS..Hα-helixtrans-63.2-44.4-176.9-74.163.3-146.700111.2D77 S81 L82 E83D77-E79 PolarHBondContact OD1-N 2.81Å; D77-E79 VanDerWaalsContact OD1-N 3.13Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 2.95Å; E79-L82 PolarHBondContact O-N 3.39Å; E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.25Å
80A95.1Very high93.5Very high39 Ų3964.6 Ų64.632%0.32232%0.315SS..Hα-helixtrans-60.5-42.5174.200000111.9Q75 D77 E83 N84Q75-A80 HydrophobicContact CB-CB 4.15Å; Q75-A80 HydrophobicContact CG-CB 4.2Å; D77-A80 HydrophobicContact CB-CB 4.03Å; D77-A80 WeakPolarHBondContact OD1-CB 3.21Å; D77-A80 PolarHBondContact OD1-N 3.2Å; A80-E83 PolarHBondContact O-N 2.78Å; A80-N84 PolarHBondContact O-N 2.99Å
81S94.2Very high93.6Very high1 Ų158.5 Ų58.51%0.00731%0.306CS..Hα-helixtrans-65-41.4176.8-61.60000112.7Q75 D77 K78 E79 E83 N84 V85Q75-S81 WeakPolarHBondContact CA-OG 3.47Å; Q75-S81 WeakPolarHBondContact CB-OG 2.95Å; Q75-S81 PolarHBondContact N-OG 3.45Å; Q75-S81 PolarHBondContact O-OG 3.11Å; D77-S81 WeakPolarHBondContact O-CB 3.43Å; D77-S81 PolarHBondContact O-N 3.18Å; D77-S81 PolarHBondContact O-OG 2.9Å; K78-S81 WeakPolarHBondContact O-CB 3.23Å; K78-S81 PolarHBondContact O-N 2.85Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 2.95Å; S81-E83 VanDerWaalsContact C-N 3.31Å; S81-N84 WeakPolarHBondContact O-CB 3.39Å; S81-N84 PolarHBondContact O-N 3.26Å; S81-V85 PolarHBondContact O-N 3.45Å
82L96.3Very high93.7Very high24 Ų2454.4 Ų54.413%0.12629%0.286CS..Hα-helixtrans-67.8-32.9176.8-70.6175.6000111.8K78 E79 V85 K86 F139 E143 A144 A147K78-L82 HydrophobicContact CG-CD1 4.09Å; K78-L82 HydrophobicContact CG-CG 4.46Å; K78-L82 WeakPolarHBondContact O-CG 3.34Å; K78-L82 PolarHBondContact O-N 2.84Å; E79-L82 PolarHBondContact O-N 3.39Å; L82-V85 WeakPolarHBondContact O-CB 3.47Å; L82-V85 PolarHBondContact O-N 2.88Å; L82-K86 WeakPolarHBondContact O-CG 3.43Å; L82-K86 PolarHBondContact O-N 3Å; L82-F139 HydrophobicContact CD2-CB 3.82Å; L82-F139 HydrophobicContact CD2-CD1 4.17Å; L82-F139 HydrophobicContact CD2-CD2 4.31Å; L82-F139 HydrophobicContact CD2-CG 3.84Å; L82-F139 HydrophobicContact CG-CB 4.23Å; L82-F139 HydrophobicContact CG-CD1 4.49Å; L82-F139 HydrophobicContact CG-CG 4.46Å; L82-E143 HydrophobicContact CD1-CB 4.29Å; L82-E143 HydrophobicContact CD2-CB 4.28Å; L82-A144 HydrophobicContact CD2-CB 4.44Å; L82-A147 HydrophobicContact CB-CB 4.07Å; L82-A147 HydrophobicContact CD2-CB 3.93Å; L82-A147 HydrophobicContact CG-CB 4.47Å
83E96.2Very high93.8Very high78 Ų7857.7 Ų57.736%0.36430%0.303SS..Hα-helixtrans-65.9-38.9172.8-166.256.4-147.400111.6E79 A80 S81 V85 K86 R87E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.25Å; A80-E83 PolarHBondContact O-N 2.78Å; S81-E83 VanDerWaalsContact C-N 3.31Å; E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 2.81Å; E83-K86 WeakPolarHBondContact O-CB 3.43Å; E83-K86 PolarHBondContact O-N 3Å; E83-K86 WeakPolarHBondContact OE2-CD 3.49Å; E83-K86 IonicContact OE2-NZ 2.85Å; E83-K86 PolarHBondContact OE2-NZ 2.91Å; E83-R87 WeakPolarHBondContact O-CG 3.31Å; E83-R87 PolarHBondContact O-N 2.88Å; E83-R87 VanDerWaalsContact O-N 3.17Å
84N94.7Very high94Very high17 Ų1754.8 Ų54.89%0.09129%0.287CS..Hα-helixtrans-62.5-36.8171.3-72.8-21.3000112.3L72 D73 A80 S81 R87L72-N84 HydrophobicContact CD1-CB 4.3Å; D73-N84 WeakPolarHBondContact CB-ND2 3.36Å; D73-N84 PolarHBondContact O-ND2 3.1Å; D73-N84 PolarHBondContact OD2-ND2 3.17Å; A80-N84 PolarHBondContact O-N 2.99Å; S81-N84 WeakPolarHBondContact O-CB 3.39Å; S81-N84 PolarHBondContact O-N 3.26Å; N84-R87 PolarHBondContact O-N 3.48Å; N84-R87 PolarHBondContact OD1-NH1 3.42Å
85V96.1Very high94.4Very high0 Ų060.3 Ų60.30%032%0.317CS..Hα-helixtrans-63.3-41.1173172.10000111.6L72 S81 L82 E83 R87 L88 F139 L148 L171 I173L72-V85 HydrophobicContact CD2-CG2 4.09Å; S81-V85 PolarHBondContact O-N 3.45Å; L82-V85 WeakPolarHBondContact O-CB 3.47Å; L82-V85 PolarHBondContact O-N 2.88Å; E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 2.81Å; V85-R87 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.14Å; V85-L88 VanDerWaalsContact O-CB 3.25Å; V85-L88 WeakPolarHBondContact O-CB 3.4Å; V85-L88 WeakPolarHBondContact O-CG 3.33Å; V85-L88 PolarHBondContact O-N 3.17Å; V85-F139 HydrophobicContact CG2-CZ 4.33Å; V85-L148 HydrophobicContact CG1-CB 4.2Å; V85-L148 HydrophobicContact CG1-CD1 4.11Å; V85-L148 WeakPolarHBondContact O-CD1 3.5Å; V85-L171 HydrophobicContact CG1-CD2 3.87Å; V85-I173 HydrophobicContact CG2-CD1 4.35Å
86K96.8Very high94.6Very high66 Ų6658.8 Ų58.829%0.28731%0.31SS..Hα-helixtrans-61.1-41.8177.4-71.5-179.2-163.8159.90112.5L82 E83 L88 V89 A147 A151L82-K86 WeakPolarHBondContact O-CG 3.43Å; L82-K86 PolarHBondContact O-N 3Å; E83-K86 WeakPolarHBondContact O-CB 3.43Å; E83-K86 PolarHBondContact O-N 3Å; E83-K86 WeakPolarHBondContact OE2-CD 3.49Å; E83-K86 IonicContact OE2-NZ 2.85Å; E83-K86 PolarHBondContact OE2-NZ 2.91Å; K86-L88 PolarHBondContact O-N 2.96Å; K86-L88 VanDerWaalsContact O-N 3.1Å; K86-V89 WeakPolarHBondContact O-CB 3.48Å; K86-V89 PolarHBondContact O-N 3.35Å; K86-A147 HydrophobicContact CG-CB 4.19Å; K86-A147 WeakPolarHBondContact CG-O 3.48Å; K86-A151 HydrophobicContact CB-CB 3.87Å; K86-A151 HydrophobicContact CG-CB 3.99Å
87R96.1Very high95.1Very high150 Ų15052.1 Ų52.157%0.56627%0.269SS*.Hα-helixtrans-58.3-24.5179.2-69.2175.1-171.1161.8-0.6113.2E83 N84 V85 V89 D90 A91E83-R87 WeakPolarHBondContact O-CG 3.31Å; E83-R87 PolarHBondContact O-N 2.88Å; E83-R87 VanDerWaalsContact O-N 3.17Å; N84-R87 PolarHBondContact O-N 3.48Å; N84-R87 PolarHBondContact OD1-NH1 3.42Å; V85-R87 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.14Å; R87-V89 PolarHBondContact O-N 3.32Å; R87-D90 PolarHBondContact O-N 3.37Å; R87-D90 VanDerWaalsContact O-N 3.07Å; R87-A91 PolarHBondContact O-N 2.89Å
88L96.9Very high95.1Very high9 Ų949.2 Ų49.25%0.04725%0.253CS..Hα-helixtrans-60.2-29.6175-58.1-179.7000112.8L67 E69 L72 V85 K86 D90 A91 A92 L148 L171 A178 I180L67-L88 HydrophobicContact CD2-CB 3.84Å; L67-L88 HydrophobicContact CD2-CD2 3.83Å; L67-L88 HydrophobicContact CD2-CG 4.36Å; E69-L88 HydrophobicContact CB-CD2 4.04Å; E69-L88 HydrophobicContact CG-CD2 4.06Å; L72-L88 HydrophobicContact CD1-CD1 4.13Å; L72-L88 HydrophobicContact CD1-CD2 4.12Å; L72-L88 HydrophobicContact CD1-CG 4.31Å; V85-L88 VanDerWaalsContact O-CB 3.25Å; V85-L88 WeakPolarHBondContact O-CB 3.4Å; V85-L88 WeakPolarHBondContact O-CG 3.33Å; V85-L88 PolarHBondContact O-N 3.17Å; K86-L88 PolarHBondContact O-N 2.96Å; K86-L88 VanDerWaalsContact O-N 3.1Å; L88-D90 PolarHBondContact O-N 3.38Å; L88-A91 PolarHBondContact O-N 2.91Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 3.18Å; L88-A92 VanDerWaalsContact O-N 3.17Å; L88-L148 HydrophobicContact CB-CD1 4.49Å; L88-L171 HydrophobicContact CD1-CD1 4.45Å; L88-A178 HydrophobicContact CD1-CB 3.7Å; L88-I180 HydrophobicContact CB-CD1 3.49Å; L88-I180 VanDerWaalsContact CB-CD1 3.49Å; L88-I180 HydrophobicContact CD1-CD1 4.4Å
89V97.1Very high95Very high0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-62.6-30.9176.8176.80000111.3K86 R87 W94 L148 A151 V152 K155K86-V89 WeakPolarHBondContact O-CB 3.48Å; K86-V89 PolarHBondContact O-N 3.35Å; R87-V89 PolarHBondContact O-N 3.32Å; V89-W94 HydrophobicContact CG1-CZ2 3.99Å; V89-W94 PolarHBondContact O-NE1 2.69Å; V89-L148 HydrophobicContact CG2-CD1 3.41Å; V89-L148 VanDerWaalsContact CG2-CD1 3.41Å; V89-L148 HydrophobicContact CG2-CG 3.86Å; V89-A151 HydrophobicContact CB-CB 4.03Å; V89-A151 HydrophobicContact CG1-CB 4.45Å; V89-A151 HydrophobicContact CG2-CB 3.63Å; V89-V152 HydrophobicContact CG1-CG2 4.17Å; V89-V152 HydrophobicContact CG2-CG2 3.95Å; V89-K155 HydrophobicContact CG1-CB 4.21Å; V89-K155 HydrophobicContact CG1-CD 3.66Å; V89-K155 PolarHBondContact O-NZ 3.26Å; V89-K155 VanDerWaalsContact O-NZ 3.14Å
90D95Very high95Very high114 Ų11444.7 Ų44.761%0.6124%0.236SC*.Hα-helixtrans-81.4-29178.5-70.3-36.3000114R87 L88 K155R87-D90 PolarHBondContact O-N 3.37Å; R87-D90 VanDerWaalsContact O-N 3.07Å; L88-D90 PolarHBondContact O-N 3.38Å; D90-K155 IonicContact OD1-NZ 2.88Å; D90-K155 PolarHBondContact OD1-NZ 3.43Å
91A94.7Very high95Very high65 Ų6543 Ų4354%0.53722%0.221SC..Hα-helixtrans-79.9-19.5177.300000114.1L67 R87 L88L67-A91 HydrophobicContact CD1-CB 4.1Å; L67-A91 HydrophobicContact CD2-CB 4.06Å; R87-A91 PolarHBondContact O-N 2.89Å; L88-A91 PolarHBondContact O-N 2.91Å
92A96.6Very high94.9Very high10 Ų1045.4 Ų45.48%0.08323%0.232CC..SBendtrans-78.9143.8-172.300000113.9L66 L67 L88 W94L66-A92 HydrophobicContact CB-CB 3.85Å; L67-A92 HydrophobicContact CB-CB 3.81Å; L67-A92 HydrophobicContact CD2-CB 4.48Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 3.18Å; L88-A92 VanDerWaalsContact O-N 3.17Å; A92-W94 VanDerWaalsContact C-N 3.34Å; A92-W94 PolarHBondContact O-N 2.82Å
93D94.8Very high94.7Very high73 Ų7347.6 Ų47.639%0.3925%0.249SC..  trans-80.176.5177.2-175.3-0.4000111.5L66 D95 Q96 G97L66-D93 PolarHBondContact O-N 2.99Å; D93-D95 VanDerWaalsContact C-N 3.33Å; D93-Q96 PolarHBondContact OD1-N 3.04Å; D93-Q96 VanDerWaalsContact OD1-N 3.14Å; D93-Q96 WeakPolarHBondContact OD2-CB 3.42Å; D93-Q96 WeakPolarHBondContact OD2-CG 3.4Å; D93-G97 PolarHBondContact O-N 3.05Å
94W95Very high94.6Very high8 Ų845.7 Ų45.73%0.0324%0.243CC..Hα-helixtrans-67.6-31.3178.8-68.294.1000113.2L66 V89 A92 G97 L98 V152 F156 W158 V169 L182L66-W94 HydrophobicContact CD1-CD2 3.73Å; L66-W94 HydrophobicContact CD1-CE3 3.59Å; L66-W94 HydrophobicContact CD1-CG 4.36Å; L66-W94 HydrophobicContact CD1-CH2 4.13Å; L66-W94 HydrophobicContact CD1-CZ2 4.26Å; L66-W94 HydrophobicContact CD1-CZ3 3.82Å; V89-W94 HydrophobicContact CG1-CZ2 3.99Å; V89-W94 PolarHBondContact O-NE1 2.69Å; A92-W94 VanDerWaalsContact C-N 3.34Å; A92-W94 PolarHBondContact O-N 2.82Å; W94-G97 PolarHBondContact O-N 3.2Å; W94-L98 HydrophobicContact CB-CD1 4.37Å; W94-L98 VanDerWaalsContact O-CB 3.27Å; W94-L98 WeakPolarHBondContact O-CB 3.3Å; W94-L98 VanDerWaalsContact O-CG 3.22Å; W94-L98 WeakPolarHBondContact O-CG 3.46Å; W94-L98 PolarHBondContact O-N 2.57Å; W94-V152 HydrophobicContact CH2-CG1 4.45Å; W94-V152 HydrophobicContact CH2-CG2 3.72Å; W94-V152 HydrophobicContact CZ2-CG2 3.89Å; W94-F156 HydrophobicContact CB-CE1 4.47Å; W94-F156 HydrophobicContact CB-CZ 3.77Å; W94-F156 AromaticContact CD1-CZ 3.88Å; W94-F156 AromaticContact CD2-CE2 3.6Å; W94-F156 HydrophobicContact CD2-CE2 3.6Å; W94-F156 AromaticContact CD2-CZ 3.57Å; W94-F156 HydrophobicContact CD2-CZ 3.57Å; W94-F156 AromaticContact CE2-CE2 3.78Å; W94-F156 AromaticContact CE3-CE2 3.82Å; W94-F156 HydrophobicContact CE3-CE2 3.82Å; W94-F156 AromaticContact CE3-CZ 3.96Å; W94-F156 HydrophobicContact CE3-CZ 3.96Å; W94-F156 AromaticContact CG-CE2 3.98Å; W94-F156 HydrophobicContact CG-CE2 3.98Å; W94-F156 AromaticContact CG-CZ 3.46Å; W94-F156 HydrophobicContact CG-CZ 3.46Å; W94-F156 VanDerWaalsContact CG-CZ 3.46Å; W94-F156 HydrophobicContact CH2-CE2 4.4Å; W94-F156 HydrophobicContact CZ2-CE2 4.21Å; W94-F156 HydrophobicContact CZ3-CE2 4.2Å; W94-W158 HydrophobicContact CE3-CH2 4.49Å; W94-W158 HydrophobicContact CZ3-CH2 4.26Å; W94-W158 HydrophobicContact CZ3-CZ3 4.28Å; W94-V169 HydrophobicContact CH2-CG1 3.99Å; W94-V169 HydrophobicContact CH2-CG2 4.01Å; W94-V169 HydrophobicContact CZ3-CG2 4.17Å; W94-L182 HydrophobicContact CZ3-CD2 3.96Å
95D92.4Very high94.5Very high134 Ų13448.1 Ų48.172%0.71725%0.251SS*.Hα-helixtrans-65.1-49.6-175.5-68.2-25.5000111.1D93 L99D93-D95 VanDerWaalsContact C-N 3.33Å; D95-L99 WeakPolarHBondContact O-CB 3.44Å; D95-L99 PolarHBondContact O-N 3.49Å; D95-L99 VanDerWaalsContact O-N 3.12Å
96Q91.3Very high94.1Very high45 Ų4551.6 Ų51.621%0.2129%0.287CS..Hα-helixtrans-66.6-41.6174.3-75.5-63.6-43.200111.9D93 L98 L99 V100D93-Q96 PolarHBondContact OD1-N 3.04Å; D93-Q96 VanDerWaalsContact OD1-N 3.14Å; D93-Q96 WeakPolarHBondContact OD2-CB 3.42Å; D93-Q96 WeakPolarHBondContact OD2-CG 3.4Å; Q96-L98 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 3.29Å; Q96-V100 WeakPolarHBondContact O-CG2 3.25Å; Q96-V100 PolarHBondContact O-N 2.85Å
97G94.6Very high93.4Very high1 Ų153.6 Ų53.61%0.0129%0.293CS..Hα-helixtrans-56.8-50.2179.300000113.2D93 W94 V100 W101D93-G97 PolarHBondContact O-N 3.05Å; W94-G97 PolarHBondContact O-N 3.2Å; G97-V100 PolarHBondContact O-N 3.33Å; G97-W101 WeakPolarHBondContact O-CB 3.44Å; G97-W101 PolarHBondContact O-N 2.93Å
98L94.2Very high92.5Very high20 Ų2054.3 Ų54.311%0.10530%0.302CS..Hα-helixtrans-68.4-39.8-179.3-70170.2000111W94 Q96 V100 W101 Q102 L109 W158 L182W94-L98 HydrophobicContact CB-CD1 4.37Å; W94-L98 VanDerWaalsContact O-CB 3.27Å; W94-L98 WeakPolarHBondContact O-CB 3.3Å; W94-L98 VanDerWaalsContact O-CG 3.22Å; W94-L98 WeakPolarHBondContact O-CG 3.46Å; W94-L98 PolarHBondContact O-N 2.57Å; Q96-L98 PolarHBondContact O-N 3.27Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-V100 PolarHBondContact O-N 2.86Å; L98-W101 PolarHBondContact O-N 2.91Å; L98-Q102 VanDerWaalsContact O-CB 3.32Å; L98-Q102 WeakPolarHBondContact O-CB 3.46Å; L98-Q102 WeakPolarHBondContact O-CG 3.49Å; L98-Q102 PolarHBondContact O-N 2.98Å; L98-L109 HydrophobicContact CD2-CD1 3.51Å; L98-L109 HydrophobicContact CG-CD1 4.48Å; L98-W158 HydrophobicContact CD1-CH2 4.28Å; L98-W158 HydrophobicContact CD1-CZ2 4.06Å; L98-W158 HydrophobicContact CD2-CH2 3.53Å; L98-W158 HydrophobicContact CD2-CZ2 3.86Å; L98-W158 HydrophobicContact CG-CH2 4.48Å; L98-L182 HydrophobicContact CD2-CD1 3.81Å; L98-L182 HydrophobicContact CG-CD1 4.28Å
99L92.2Very high91.4Very high85 Ų8555.2 Ų55.245%0.44531%0.307SS..Hα-helixtrans-57.5-45.2175-172.9153.4000111.6D95 Q96 S103D95-L99 WeakPolarHBondContact O-CB 3.44Å; D95-L99 PolarHBondContact O-N 3.49Å; D95-L99 VanDerWaalsContact O-N 3.12Å; Q96-L99 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-N 3.27Å; L99-S103 VanDerWaalsContact O-N 3.07Å
100V94.3Very high89.7Confident0 Ų055.5 Ų55.50%031%0.31CS..Hα-helixtrans-63.8-47.9175.5174.60000110.7F8 I50 I64 Q96 G97 L98 Q102 S103 V104 L184F8-V100 HydrophobicContact CE1-CG1 4.09Å; F8-V100 HydrophobicContact CZ-CG1 4.42Å; I50-V100 HydrophobicContact CD1-CG1 3.94Å; I50-V100 HydrophobicContact CD1-CG2 4.39Å; I50-V100 HydrophobicContact CG1-CG1 4.25Å; I50-V100 HydrophobicContact CG2-CG1 4.28Å; I64-V100 HydrophobicContact CB-CG1 4.32Å; I64-V100 HydrophobicContact CD1-CG2 4.34Å; I64-V100 HydrophobicContact CG1-CB 4.49Å; I64-V100 HydrophobicContact CG1-CG2 4.48Å; Q96-V100 WeakPolarHBondContact O-CG2 3.25Å; Q96-V100 PolarHBondContact O-N 2.85Å; G97-V100 PolarHBondContact O-N 3.33Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-V100 PolarHBondContact O-N 2.86Å; V100-Q102 PolarHBondContact O-N 2.92Å; V100-S103 WeakPolarHBondContact O-CB 3.36Å; V100-S103 PolarHBondContact O-N 2.93Å; V100-S103 VanDerWaalsContact O-N 3.17Å; V100-S103 PolarHBondContact O-OG 2.83Å; V100-V104 PolarHBondContact O-N 2.97Å; V100-L184 HydrophobicContact CG1-CD1 4.07Å; V100-L184 HydrophobicContact CG1-CD2 3.94Å
101W95.1Very high87.8Confident3 Ų355.2 Ų55.21%0.01131%0.309CS..Hα-helixtrans-59.1-45.4179.6-17693.9000112G97 L98 S103 V104 Y105 R107 L109 D166 V167 L182 L184G97-W101 WeakPolarHBondContact O-CB 3.44Å; G97-W101 PolarHBondContact O-N 2.93Å; L98-W101 PolarHBondContact O-N 2.91Å; W101-S103 VanDerWaalsContact C-N 3.3Å; W101-S103 PolarHBondContact O-N 2.86Å; W101-V104 PolarHBondContact O-N 3.39Å; W101-V104 VanDerWaalsContact O-N 3.1Å; W101-Y105 AromaticContact CD1-CD2 3.9Å; W101-Y105 AromaticContact CD1-CE2 3.67Å; W101-Y105 AromaticContact CD2-CD2 3.74Å; W101-Y105 HydrophobicContact CD2-CD2 3.74Å; W101-Y105 HydrophobicContact CD2-CE2 4.27Å; W101-Y105 AromaticContact CE2-CD2 3.28Å; W101-Y105 AromaticContact CE2-CE2 3.58Å; W101-Y105 HydrophobicContact CE3-CD2 4.38Å; W101-Y105 HydrophobicContact CG-CD2 4.07Å; W101-Y105 HydrophobicContact CG-CE2 4.28Å; W101-Y105 HydrophobicContact CH2-CD2 4.22Å; W101-Y105 HydrophobicContact CH2-CG 4.36Å; W101-Y105 AromaticContact CZ2-CD2 3.54Å; W101-Y105 HydrophobicContact CZ2-CD2 3.54Å; W101-Y105 HydrophobicContact CZ2-CE2 4.03Å; W101-Y105 AromaticContact CZ2-CG 3.96Å; W101-Y105 HydrophobicContact CZ2-CG 3.96Å; W101-Y105 AromaticContact NE1-CD2 3.44Å; W101-Y105 AromaticContact NE1-CE2 3.2Å; W101-Y105 WeakPolarHBondContact O-CD2 3.48Å; W101-Y105 PolarHBondContact O-N 2.88Å; W101-Y105 VanDerWaalsContact O-N 3.13Å; W101-R107 HydrophobicContact CZ3-CB 4.4Å; W101-L109 HydrophobicContact CE3-CD1 4.04Å; W101-L109 HydrophobicContact CE3-CG 4.45Å; W101-L109 HydrophobicContact CH2-CD2 4.42Å; W101-L109 HydrophobicContact CZ3-CD1 4.05Å; W101-L109 HydrophobicContact CZ3-CD2 3.83Å; W101-L109 HydrophobicContact CZ3-CG 4.07Å; W101-D166 HydrophobicContact CH2-CB 4.47Å; W101-D166 WeakPolarHBondContact CZ2-O 3.14Å; W101-V167 HydrophobicContact CD2-CG2 4.23Å; W101-V167 HydrophobicContact CE3-CG2 4.44Å; W101-V167 HydrophobicContact CH2-CG2 3.82Å; W101-V167 HydrophobicContact CZ2-CB 4.44Å; W101-V167 HydrophobicContact CZ2-CG2 3.54Å; W101-V167 HydrophobicContact CZ3-CG2 4.26Å; W101-L182 HydrophobicContact CB-CD1 4.1Å; W101-L182 HydrophobicContact CG-CD1 4.49Å; W101-L184 HydrophobicContact CB-CD2 4.5Å
102Q93Very high85.7Confident52 Ų5253.8 Ų53.824%0.24330%0.3CS..Hα-helixtrans-61.3-38177.1-69.5177.2-19.400111.7L98 V100 V104 Y105 G106 R107 L109L98-Q102 VanDerWaalsContact O-CB 3.32Å; L98-Q102 WeakPolarHBondContact O-CB 3.46Å; L98-Q102 WeakPolarHBondContact O-CG 3.49Å; L98-Q102 PolarHBondContact O-N 2.98Å; V100-Q102 PolarHBondContact O-N 2.92Å; Q102-V104 VanDerWaalsContact C-N 3.27Å; Q102-V104 PolarHBondContact O-N 3.12Å; Q102-Y105 PolarHBondContact O-N 2.88Å; Q102-G106 WeakPolarHBondContact O-CA 3.43Å; Q102-G106 PolarHBondContact O-N 2.79Å; Q102-R107 VanDerWaalsContact CB-O 3.31Å; Q102-R107 WeakPolarHBondContact CB-O 3.42Å; Q102-R107 WeakPolarHBondContact CG-O 3.19Å; Q102-L109 HydrophobicContact CG-CD1 4.34Å; Q102-L109 HydrophobicContact CG-CG 4.15Å
103S91.9Very high83.5Confident69 Ų6961 Ų6148%0.48333%0.325SS..Hα-helixtrans-64.9-29.5176.378.90000113.3L99 V100 W101L99-S103 PolarHBondContact O-N 3.27Å; L99-S103 VanDerWaalsContact O-N 3.07Å; V100-S103 WeakPolarHBondContact O-CB 3.36Å; V100-S103 PolarHBondContact O-N 2.93Å; V100-S103 VanDerWaalsContact O-N 3.17Å; V100-S103 PolarHBondContact O-OG 2.83Å; W101-S103 VanDerWaalsContact C-N 3.3Å; W101-S103 PolarHBondContact O-N 2.86Å
104V94Very high81.1Confident39 Ų3964.2 Ų64.224%0.23634%0.342CS..Hα-helixtrans-76.5-45.8177.6172.60000111.4I50 L54 V100 W101 Q102 L184I50-V104 HydrophobicContact CG2-CG2 3.45Å; I50-V104 VanDerWaalsContact CG2-CG2 3.45Å; L54-V104 HydrophobicContact CD1-CG1 3.84Å; L54-V104 HydrophobicContact CD1-CG2 4.06Å; V100-V104 PolarHBondContact O-N 2.97Å; W101-V104 PolarHBondContact O-N 3.39Å; W101-V104 VanDerWaalsContact O-N 3.1Å; Q102-V104 VanDerWaalsContact C-N 3.27Å; Q102-V104 PolarHBondContact O-N 3.12Å; V104-L184 HydrophobicContact CG2-CD2 4.16Å
105Y92.4Very high78.7Confident67 Ų6766.8 Ų66.826%0.26336%0.357SS..Hα-helixtrans-95.3-7-172.7-66.9-78.1000114.1W101 Q102 R107 D186W101-Y105 AromaticContact CD1-CD2 3.9Å; W101-Y105 AromaticContact CD1-CE2 3.67Å; W101-Y105 AromaticContact CD2-CD2 3.74Å; W101-Y105 HydrophobicContact CD2-CD2 3.74Å; W101-Y105 HydrophobicContact CD2-CE2 4.27Å; W101-Y105 AromaticContact CE2-CD2 3.28Å; W101-Y105 AromaticContact CE2-CE2 3.58Å; W101-Y105 HydrophobicContact CE3-CD2 4.38Å; W101-Y105 HydrophobicContact CG-CD2 4.07Å; W101-Y105 HydrophobicContact CG-CE2 4.28Å; W101-Y105 HydrophobicContact CH2-CD2 4.22Å; W101-Y105 HydrophobicContact CH2-CG 4.36Å; W101-Y105 AromaticContact CZ2-CD2 3.54Å; W101-Y105 HydrophobicContact CZ2-CD2 3.54Å; W101-Y105 HydrophobicContact CZ2-CE2 4.03Å; W101-Y105 AromaticContact CZ2-CG 3.96Å; W101-Y105 HydrophobicContact CZ2-CG 3.96Å; W101-Y105 AromaticContact NE1-CD2 3.44Å; W101-Y105 AromaticContact NE1-CE2 3.2Å; W101-Y105 WeakPolarHBondContact O-CD2 3.48Å; W101-Y105 PolarHBondContact O-N 2.88Å; W101-Y105 VanDerWaalsContact O-N 3.13Å; Q102-Y105 PolarHBondContact O-N 2.88Å; Y105-R107 PolarHBondContact O-N 3.32Å; Y105-D186 PolarHBondContact OH-N 2.92Å
106G88Confident76.3Confident73 Ų7369.6 Ų69.675%0.75337%0.365SS*.THydrogen-bonded Turntrans64.326.9179.200000113.7Q102Q102-G106 WeakPolarHBondContact O-CA 3.43Å; Q102-G106 PolarHBondContact O-N 2.79Å
107R81.9Confident73.8Confident108 Ų10874 Ų7441%0.40839%0.391SS..  trans-117.4128.5-178.5-63.3-178.6-173.1-174.55.9109.5W101 Q102 Y105 D166W101-R107 HydrophobicContact CZ3-CB 4.4Å; Q102-R107 VanDerWaalsContact CB-O 3.31Å; Q102-R107 WeakPolarHBondContact CB-O 3.42Å; Q102-R107 WeakPolarHBondContact CG-O 3.19Å; Y105-R107 PolarHBondContact O-N 3.32Å; R107-D166 IonicContact CZ-OD1 3.87Å; R107-D166 IonicContact NH1-OD1 2.69Å; R107-D166 PolarHBondContact NH1-OD1 3.23Å
108Q77.1Confident71.1Confident165 Ų16579.8 Ų79.877%0.77143%0.431SS*.PPolyproline II helixtrans-86.3127168.7-73.8-171.7-11.800109.8
109L74.1Confident68.9Low28 Ų2882.3 Ų82.315%0.14745%0.45CS..BIsolated β-bridgetrans-87.7133.1177.6-58.8175.5000109.4L98 W101 Q102 F122 P124 W158L98-L109 HydrophobicContact CD2-CD1 3.51Å; L98-L109 HydrophobicContact CG-CD1 4.48Å; W101-L109 HydrophobicContact CE3-CD1 4.04Å; W101-L109 HydrophobicContact CE3-CG 4.45Å; W101-L109 HydrophobicContact CH2-CD2 4.42Å; W101-L109 HydrophobicContact CZ3-CD1 4.05Å; W101-L109 HydrophobicContact CZ3-CD2 3.83Å; W101-L109 HydrophobicContact CZ3-CG 4.07Å; Q102-L109 HydrophobicContact CG-CD1 4.34Å; Q102-L109 HydrophobicContact CG-CG 4.15Å; L109-F122 WeakPolarHBondContact CA-O 3.31Å; L109-F122 HydrophobicContact CD2-CD1 3.89Å; L109-F122 HydrophobicContact CD2-CE1 4.5Å; L109-P124 HydrophobicContact CD1-CG 4.36Å; L109-P124 HydrophobicContact CD2-CB 3.73Å; L109-P124 HydrophobicContact CD2-CG 3.71Å; L109-W158 HydrophobicContact CD1-CZ2 4.2Å
110G61.8Low67Low6 Ų682.8 Ų82.86%0.06248%0.476CS..PPolyproline II helixtrans-82.9158.3169.100000111.6G112 F122G110-G112 PolarHBondContact O-N 2.82Å; G110-F122 PolarHBondContact N-O 3.24Å
111N54.6Low65.5Low109 Ų10984.2 Ų84.258%0.58349%0.49SS*.  trans-88.199.3173.3-103.5-17.7000108.2R113 N114 D115N111-R113 PolarHBondContact O-N 2.75Å; N111-N114 PolarHBondContact O-N 2.86Å; N111-N114 VanDerWaalsContact O-N 3.16Å; N111-D115 PolarHBondContact N-OD2 2.97Å; N111-D115 PolarHBondContact O-N 3.44Å
112G50.6Low64.7Low34 Ų3488 Ų8835%0.35151%0.507SS..THydrogen-bonded Turntrans-61.1-2.4-172.100000116.5G110G110-G112 PolarHBondContact O-N 2.82Å
113R51.4Low64.4Low161 Ų16188.3 Ų88.361%0.60851%0.512SS*.THydrogen-bonded Turntrans-96.9-20.3177.2-87.1179.3157-179.3-11115.2N111 D154 K155N111-R113 PolarHBondContact O-N 2.75Å; R113-D154 PolarHBondContact NE-O 3.32Å; R113-D154 PolarHBondContact NH1-O 3.38Å; R113-D154 PolarHBondContact NH2-O 3.02Å; R113-K155 PolarHBondContact NH1-O 3.19Å
114N42.4Very low64.4Low141 Ų14185 Ų8575%0.75449%0.489SS*.THydrogen-bonded Turntrans-135.4-0.4-171.5-74.9-18.2000115.7N111 E116N111-N114 PolarHBondContact O-N 2.86Å; N111-N114 VanDerWaalsContact O-N 3.16Å; N114-E116 VanDerWaalsContact C-N 3.26Å; N114-E116 PolarHBondContact O-N 3.02Å
115D46Very low64.4Low62 Ų6287.1 Ų87.133%0.33250%0.495SS..THydrogen-bonded Turntrans-85.248.5-178.9-76.3-43.2000113.4N111 D117 S119N111-D115 PolarHBondContact N-OD2 2.97Å; N111-D115 PolarHBondContact O-N 3.44Å; D115-D117 VanDerWaalsContact C-N 3.33Å; D115-S119 VanDerWaalsContact CG-O 3.31Å; D115-S119 PolarHBondContact OD1-OG 2.96Å
116E42.5Very low64.7Low193 Ų19384 Ų8490%0.90248%0.483SS*.THydrogen-bonded Turntrans-81.2-20.2155.9-77.1-166.1165.100111.3N114N114-E116 VanDerWaalsContact C-N 3.26Å; N114-E116 PolarHBondContact O-N 3.02Å
117D37.4Very low65.1Low138 Ų13883.8 Ų83.874%0.73846%0.459SS*.SBendtrans-118.6104.9176.3-81.8-34.2000111.8D115D115-D117 VanDerWaalsContact C-N 3.33Å
118S39.3Very low65.9Low123 Ų12379.6 Ų79.686%0.8645%0.446SS*.SBendtrans876.1145.1-440000121.9
119S46.3Very low66.9Low73 Ų7373.3 Ų73.351%0.5142%0.419SS..  trans-141.9107.8160.243.40000112.8D115 G121D115-S119 VanDerWaalsContact CG-O 3.31Å; D115-S119 PolarHBondContact OD1-OG 2.96Å; S119-G121 PolarHBondContact O-N 2.88Å
120G53.6Low68Low95 Ų9572.8 Ų72.898%0.97942%0.417SS*.  trans-6855.2-178.300000115.1
121G62Low69.6Low29 Ų2976.9 Ų76.930%0.29944%0.438SS..  trans-72.8143.3178.200000112.2S119 V123S119-G121 PolarHBondContact O-N 2.88Å; G121-V123 PolarHBondContact O-N 3.2Å
122F78.3Confident71.5Confident84 Ų8475.5 Ų75.537%0.36842%0.424SS..BIsolated β-bridgetrans-68.8122.9179.1172.5-104.9000110.4L109 G110 P124 D166L109-F122 WeakPolarHBondContact CA-O 3.31Å; L109-F122 HydrophobicContact CD2-CD1 3.89Å; L109-F122 HydrophobicContact CD2-CE1 4.5Å; G110-F122 PolarHBondContact N-O 3.24Å; F122-P124 HydrophobicContact CD1-CB 4.28Å; F122-P124 VanDerWaalsContact CE1-CA 3.5Å; F122-P124 HydrophobicContact CE1-CB 3.9Å; F122-P124 WeakPolarHBondContact O-CD 3.42Å; F122-D166 HydrophobicContact CE1-CB 4.2Å; F122-D166 WeakPolarHBondContact CZ-OD2 3.29Å
123V86.5Confident73.4Confident58 Ų5877.7 Ų77.735%0.35243%0.431SS..  trans-82.3112.4169.2-178.60000108.1G121G121-V123 PolarHBondContact O-N 3.2Å
124P92.2Very high75.2Confident0 Ų070.8 Ų70.80%041%0.41CS..  trans-73.1148-174.631.6-33.7000111.2L109 F122 W158 K159 D166 V167L109-P124 HydrophobicContact CD1-CG 4.36Å; L109-P124 HydrophobicContact CD2-CB 3.73Å; L109-P124 HydrophobicContact CD2-CG 3.71Å; F122-P124 HydrophobicContact CD1-CB 4.28Å; F122-P124 VanDerWaalsContact CE1-CA 3.5Å; F122-P124 HydrophobicContact CE1-CB 3.9Å; F122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-W158 HydrophobicContact CG-CD2 3.56Å; P124-W158 VanDerWaalsContact CG-CE2 3.44Å; P124-W158 HydrophobicContact CG-CE3 4.19Å; P124-W158 HydrophobicContact CG-CG 3.75Å; P124-W158 HydrophobicContact CG-CZ2 4.02Å; P124-K159 PolarHBondContact O-N 2.92Å; P124-D166 HydrophobicContact CB-CB 4.35Å; P124-V167 HydrophobicContact CB-CG2 3.83Å; P124-V167 HydrophobicContact CG-CG2 4.31Å
125K95Very high77.3Confident82 Ų8270.2 Ų70.236%0.35741%0.412SS..EExtended strand (participates in β ladder)trans-81.6142.8158-64.1174.8168.3-161.30108.8K159 D161 N164 D166 V167K125-K159 CarbonylContact C-O 3.56Å; K125-K159 WeakPolarHBondContact CA-O 3.38Å; K125-K159 HydrophobicContact CG-CB 4.49Å; K125-D161 HydrophobicContact CB-CB 3.93Å; K125-D161 HydrophobicContact CD-CB 3.94Å; K125-D161 HydrophobicContact CG-CB 4.28Å; K125-D161 IonicContact NZ-OD2 2.85Å; K125-D161 PolarHBondContact NZ-OD2 3.43Å; K125-N164 VanDerWaalsContact CD-O 3.28Å; K125-N164 WeakPolarHBondContact CD-O 3.35Å; K125-D166 WeakPolarHBondContact CB-OD2 3.26Å; K125-D166 PolarHBondContact N-OD2 2.85Å; K125-D166 WeakPolarHBondContact O-CB 3.38Å; K125-D166 PolarHBondContact O-N 3.45Å; K125-V167 PolarHBondContact O-N 3.03Å
126F97.1Very high79.1Confident1 Ų172.8 Ų72.80%0.00442%0.422CS..EExtended strand (participates in β ladder)trans-140.4163.3-18086.1-71.5000112.9V128 V152 V153 W158 K159 V160 D161 V167 V169F126-V128 HydrophobicContact CD2-CG2 4.36Å; F126-V128 HydrophobicContact CE2-CG2 3.82Å; F126-V152 HydrophobicContact CD2-CG1 3.97Å; F126-V152 HydrophobicContact CE1-CG1 4.15Å; F126-V152 HydrophobicContact CE2-CB 3.69Å; F126-V152 HydrophobicContact CE2-CG1 3.41Å; F126-V152 VanDerWaalsContact CE2-CG1 3.41Å; F126-V152 HydrophobicContact CE2-CG2 4.38Å; F126-V152 HydrophobicContact CZ-CB 3.73Å; F126-V152 HydrophobicContact CZ-CG1 3.51Å; F126-V153 HydrophobicContact CE1-CG2 3.77Å; F126-V153 HydrophobicContact CZ-CG2 3.83Å; F126-W158 HydrophobicContact CB-CE3 3.91Å; F126-W158 HydrophobicContact CB-CZ3 4.47Å; F126-W158 HydrophobicContact CD1-CB 3.48Å; F126-W158 VanDerWaalsContact CD1-CB 3.48Å; F126-W158 HydrophobicContact CD1-CE3 4.04Å; F126-W158 HydrophobicContact CD1-CG 4.47Å; F126-W158 HydrophobicContact CD2-CE3 4.31Å; F126-W158 HydrophobicContact CE1-CB 3.73Å; F126-W158 HydrophobicContact CG-CB 4.4Å; F126-W158 AromaticContact CG-CE3 3.82Å; F126-W158 HydrophobicContact CG-CE3 3.82Å; F126-K159 WeakPolarHBondContact CD1-O 3.47Å; F126-K159 PolarHBondContact N-O 2.98Å; F126-V160 HydrophobicContact CD1-CG2 4.46Å; F126-V160 HydrophobicContact CE1-CG2 3.67Å; F126-V160 HydrophobicContact CZ-CG2 3.89Å; F126-V160 WeakPolarHBondContact O-CA 3.32Å; F126-D161 PolarHBondContact O-N 2.91Å; F126-V167 CarbonylContact C-O 3.5Å; F126-V167 WeakPolarHBondContact CA-O 3.48Å; F126-V167 HydrophobicContact CB-CB 4Å; F126-V167 WeakPolarHBondContact CB-O 3.26Å; F126-V169 HydrophobicContact CD2-CG2 4.01Å
127R97.6Very high81.4Confident69 Ų6964.6 Ų64.626%0.2638%0.383SS..EExtended strand (participates in β ladder)trans-132.8160.4163.576.3168.8-164-171.79111T129 L162 F165 V167 E168 V169R127-T129 PolarHBondContact NE-OG1 3.27Å; R127-T129 PolarHBondContact NH2-OG1 3.05Å; R127-L162 HydrophobicContact CB-CD2 4.21Å; R127-F165 HydrophobicContact CB-CB 4.34Å; R127-F165 HydrophobicContact CB-CD1 4.19Å; R127-F165 HydrophobicContact CB-CG 4.22Å; R127-F165 VanDerWaalsContact CD-CD1 3.47Å; R127-F165 HydrophobicContact CG-CB 4.35Å; R127-F165 HydrophobicContact CG-CD1 3.69Å; R127-F165 HydrophobicContact CG-CD2 4.03Å; R127-F165 HydrophobicContact CG-CE1 3.97Å; R127-F165 HydrophobicContact CG-CE2 4.27Å; R127-F165 HydrophobicContact CG-CG 3.74Å; R127-F165 HydrophobicContact CG-CZ 4.23Å; R127-V167 PolarHBondContact N-O 3.18Å; R127-E168 HydrophobicContact CG-CG 4.24Å; R127-E168 IonicContact CZ-OE1 3.27Å; R127-E168 VanDerWaalsContact CZ-OE1 3.27Å; R127-E168 IonicContact NE-OE1 2.72Å; R127-E168 PolarHBondContact NE-OE1 3.27Å; R127-E168 IonicContact NH2-OE1 3.42Å; R127-E168 PolarHBondContact NH2-OE1 2.82Å; R127-V169 PolarHBondContact O-N 3.23Å
128V98.3Very high84.1Confident21 Ų2160 Ų6013%0.12737%0.365CS..EExtended strand (participates in β ladder)trans-106.5128.7165.9-176.80000109.4F126 A145 L148 V169 L171F126-V128 HydrophobicContact CD2-CG2 4.36Å; F126-V128 HydrophobicContact CE2-CG2 3.82Å; V128-A145 HydrophobicContact CB-CB 4.18Å; V128-A145 HydrophobicContact CG1-CB 3.9Å; V128-L148 HydrophobicContact CG1-CB 4.3Å; V128-L148 HydrophobicContact CG1-CD2 3.85Å; V128-L148 HydrophobicContact CG2-CD2 4.47Å; V128-V169 CarbonylContact C-O 3.52Å; V128-V169 VanDerWaalsContact CA-O 3.31Å; V128-V169 WeakPolarHBondContact CA-O 3.48Å; V128-V169 HydrophobicContact CG2-CB 4.21Å; V128-L171 HydrophobicContact CG1-CB 4.29Å
129T97.6Very high86.7Confident33 Ų3354.4 Ų54.420%0.20233%0.325CS..EExtended strand (participates in β ladder)trans-110.7118.7170.8-62.60000108.7R127 E168 V169 L171R127-T129 PolarHBondContact NE-OG1 3.27Å; R127-T129 PolarHBondContact NH2-OG1 3.05Å; T129-E168 WeakPolarHBondContact CB-OE1 3.47Å; T129-E168 PolarHBondContact OG1-OE1 2.92Å; T129-V169 PolarHBondContact N-O 3.06Å; T129-L171 PolarHBondContact O-N 3.09Å
130C97.6Very high89Confident17 Ų1754 Ų5412%0.11532%0.32CS..EExtended strand (participates in β ladder)trans-106.4126.4176.6-178.80000112.4S141 A145 L171C130-S141 VanDerWaalsContact CB-O 3.27Å; C130-S141 WeakPolarHBondContact CB-O 3.36Å; C130-A145 HydrophobicContact CB-CB 3.8Å; C130-L171 CarbonylContact C-O 3.42Å; C130-L171 WeakPolarHBondContact CA-O 3.39Å; C130-L171 HydrophobicContact CB-CB 4.13Å; C130-L171 HydrophobicContact CB-CD2 4.27Å; C130-L171 HydrophobicContact CB-CG 4.4Å; C130-L171 PolarHBondContact SG-O 2.7Å; C130-L171 VanDerWaalsContact SG-O 3.4Å
131N95Very high91.1Very high92 Ų9251.2 Ų51.249%0.49229%0.285SS..EExtended strand (participates in β ladder)trans-105.2135.3162.6-59.8-57.9000109.5L171 N172 I173N131-L171 PolarHBondContact N-O 2.72Å; N131-N172 WeakPolarHBondContact CB-OD1 3.42Å; N131-N172 PolarHBondContact ND2-OD1 3.33Å; N131-N172 VanDerWaalsContact ND2-OD1 3.09Å; N131-N172 WeakPolarHBondContact O-CA 3.43Å; N131-I173 PolarHBondContact O-N 2.83Å
132R94.1Very high92.7Very high79 Ų7955.3 Ų55.330%0.29830%0.304SS..EExtended strand (participates in β ladder)trans-133129.8-176.1-169.1176.560.974.7-0.7111.3G134 H137 F139 S141 I173R132-G134 PolarHBondContact NH1-O 2.93Å; R132-G134 VanDerWaalsContact NH1-O 3.16Å; R132-H137 PolarHBondContact NH1-ND1 3.45Å; R132-F139 PolarHBondContact NE-O 3.04Å; R132-S141 VanDerWaalsContact CB-OG 3.3Å; R132-S141 WeakPolarHBondContact CB-OG 3.33Å; R132-I173 CarbonylContact C-O 3.57Å; R132-I173 VanDerWaalsContact CA-O 3.28Å; R132-I173 WeakPolarHBondContact CA-O 3.44Å; R132-I173 HydrophobicContact CG-CB 4.3Å; R132-I173 HydrophobicContact CG-CG2 4.48Å
133T92.3Very high93.6Very high81 Ų8154.4 Ų54.450%0.49730%0.301SS..EExtended strand (participates in β ladder)trans-127.4132.4173-60.50000109.3H137 I173 E174 W175T133-H137 PolarHBondContact O-CE1 3.29Å; T133-I173 PolarHBondContact N-O 3.26Å; T133-E174 WeakPolarHBondContact O-CA 3.29Å; T133-W175 PolarHBondContact O-N 2.99Å
134G88.5Confident94.2Very high16 Ų1651.6 Ų51.617%0.16528%0.284CS..  trans122.9147.2178.600000112.6R132 H137R132-G134 PolarHBondContact NH1-O 2.93Å; R132-G134 VanDerWaalsContact NH1-O 3.16Å; G134-H137 PolarHBondContact O-ND1 3.11Å
135T86.3Confident94.4Very high128 Ų12852.3 Ų52.379%0.78529%0.29SS*.SBendtrans-93.6-7-171.751.60000114.3H137T135-H137 VanDerWaalsContact C-N 3.34Å; T135-H137 PolarHBondContact O-N 3.37Å
136Q83.6Confident94.6Very high117 Ų11750.6 Ų50.655%0.54730%0.296SS..  trans-87.62-172.9-63176.8-200114.1I74I74-Q136 WeakPolarHBondContact CG2-O 3.48Å
137H91.7Very high94.6Very high20 Ų2051 Ų519%0.09330%0.3CS..  trans-86.1124.6-174.7-56109.7000111.4I74 R132 T133 G134 T135 F139 I173 W175I74-H137 VanDerWaalsContact CD1-CD2 3.41Å; I74-H137 WeakPolarHBondContact CD1-CD2 3.39Å; I74-H137 VanDerWaalsContact CD1-NE2 3.34Å; I74-H137 WeakPolarHBondContact CD1-NE2 3.43Å; R132-H137 PolarHBondContact NH1-ND1 3.45Å; T133-H137 PolarHBondContact O-CE1 3.29Å; G134-H137 PolarHBondContact O-ND1 3.11Å; T135-H137 VanDerWaalsContact C-N 3.34Å; T135-H137 PolarHBondContact O-N 3.37Å; H137-F139 HydrophobicContact CB-CD2 4.46Å; H137-F139 HydrophobicContact CB-CE1 4.43Å; H137-F139 HydrophobicContact CB-CE2 4.27Å; H137-F139 HydrophobicContact CB-CZ 4.26Å; H137-F139 AromaticContact CD2-CZ 3.68Å; H137-F139 PolarHBondContact O-N 3.41Å; H137-I173 VanDerWaalsContact NE2-CG2 3.28Å; H137-I173 WeakPolarHBondContact NE2-CG2 3.46Å; H137-W175 PolarHBondContact NE2-O 3.17Å
138A92.5Very high94.6Very high42 Ų4247.8 Ų47.835%0.34729%0.287SS..SBendtrans-75.5-0.8172.500000113.9K78K78-A138 HydrophobicContact CB-CB 4.13Å; K78-A138 WeakPolarHBondContact CD-O 3.46Å; K78-A138 WeakPolarHBondContact CG-O 3.37Å
139F94.7Very high94.6Very high5 Ų547.1 Ų47.12%0.02229%0.285CS..SBendtrans-127.3156.5-177.753.7-96.9000112.3K78 L82 V85 R132 H137 E143 A144 I173K78-F139 HydrophobicContact CD-CB 4.48Å; K78-F139 HydrophobicContact CG-CB 4.05Å; L82-F139 HydrophobicContact CD2-CB 3.82Å; L82-F139 HydrophobicContact CD2-CD1 4.17Å; L82-F139 HydrophobicContact CD2-CD2 4.31Å; L82-F139 HydrophobicContact CD2-CG 3.84Å; L82-F139 HydrophobicContact CG-CB 4.23Å; L82-F139 HydrophobicContact CG-CD1 4.49Å; L82-F139 HydrophobicContact CG-CG 4.46Å; V85-F139 HydrophobicContact CG2-CZ 4.33Å; R132-F139 PolarHBondContact NE-O 3.04Å; H137-F139 HydrophobicContact CB-CD2 4.46Å; H137-F139 HydrophobicContact CB-CE1 4.43Å; H137-F139 HydrophobicContact CB-CE2 4.27Å; H137-F139 HydrophobicContact CB-CZ 4.26Å; H137-F139 AromaticContact CD2-CZ 3.68Å; H137-F139 PolarHBondContact O-N 3.41Å; F139-E143 HydrophobicContact CB-CB 4.27Å; F139-A144 HydrophobicContact CD2-CB 3.76Å; F139-A144 HydrophobicContact CE2-CB 3.8Å; F139-I173 HydrophobicContact CE2-CD1 3.83Å; F139-I173 HydrophobicContact CZ-CD1 4.1Å
140T95.5Very high94.6Very high66 Ų6647.6 Ų47.641%0.40529%0.292SS..  trans-82.6162.2171.264.10000111.7T142 E143 A144T140-T142 PolarHBondContact O-N 2.85Å; T140-E143 WeakPolarHBondContact CB-OE2 3.35Å; T140-E143 WeakPolarHBondContact CG2-OE2 3.5Å; T140-E143 PolarHBondContact N-OE2 2.91Å; T140-E143 PolarHBondContact O-N 2.96Å; T140-E143 VanDerWaalsContact OG1-CG 3.29Å; T140-E143 WeakPolarHBondContact OG1-CG 3.38Å; T140-E143 PolarHBondContact OG1-N 2.91Å; T140-E143 PolarHBondContact OG1-OE2 2.83Å; T140-A144 PolarHBondContact O-N 2.88Å
141S96.5Very high94.6Very high35 Ų3547.4 Ų47.425%0.24529%0.292CS..Hα-helixtrans-60.5-36175-43.60000111.7C130 R132 A144 A145C130-S141 VanDerWaalsContact CB-O 3.27Å; C130-S141 WeakPolarHBondContact CB-O 3.36Å; R132-S141 VanDerWaalsContact CB-OG 3.3Å; R132-S141 WeakPolarHBondContact CB-OG 3.33Å; S141-A144 PolarHBondContact O-N 2.69Å; S141-A145 WeakPolarHBondContact O-CB 3.36Å; S141-A145 PolarHBondContact O-N 3.07Å
142T97Very high94.7Very high116 Ų11643 Ų4371%0.71227%0.268SS*.Hα-helixtrans-66-41.9177.6-46.30000111.8T140 A145 G146T140-T142 PolarHBondContact O-N 2.85Å; T142-A145 PolarHBondContact O-N 3.44Å; T142-G146 PolarHBondContact O-N 3.49Å
143E97.2Very high94.8Very high64 Ų6441.6 Ų41.630%0.29927%0.268SS..Hα-helixtrans-64.7-43175.3-73.9165.3129.400111.6K78 L82 F139 T140 G146 A147K78-E143 WeakPolarHBondContact CD-OE1 3.45Å; K78-E143 IonicContact NZ-OE1 3Å; K78-E143 PolarHBondContact NZ-OE1 3.31Å; L82-E143 HydrophobicContact CD1-CB 4.29Å; L82-E143 HydrophobicContact CD2-CB 4.28Å; F139-E143 HydrophobicContact CB-CB 4.27Å; T140-E143 WeakPolarHBondContact CB-OE2 3.35Å; T140-E143 WeakPolarHBondContact CG2-OE2 3.5Å; T140-E143 PolarHBondContact N-OE2 2.91Å; T140-E143 PolarHBondContact O-N 2.96Å; T140-E143 VanDerWaalsContact OG1-CG 3.29Å; T140-E143 WeakPolarHBondContact OG1-CG 3.38Å; T140-E143 PolarHBondContact OG1-N 2.91Å; T140-E143 PolarHBondContact OG1-OE2 2.83Å; E143-G146 PolarHBondContact O-N 3.11Å; E143-A147 WeakPolarHBondContact O-CB 3.29Å; E143-A147 PolarHBondContact O-N 3.26Å
144A97.4Very high95Very high0 Ų042.5 Ų42.50%027%0.27CS..Hα-helixtrans-62.9-43175.300000112.4L82 F139 T140 S141 G146 A147 L148 L171 I173L82-A144 HydrophobicContact CD2-CB 4.44Å; F139-A144 HydrophobicContact CD2-CB 3.76Å; F139-A144 HydrophobicContact CE2-CB 3.8Å; T140-A144 PolarHBondContact O-N 2.88Å; S141-A144 PolarHBondContact O-N 2.69Å; A144-G146 VanDerWaalsContact C-N 3.33Å; A144-G146 PolarHBondContact O-N 2.8Å; A144-A147 PolarHBondContact O-N 2.66Å; A144-L148 WeakPolarHBondContact O-CB 3.33Å; A144-L148 PolarHBondContact O-N 3.49Å; A144-L171 HydrophobicContact CB-CD2 4.03Å; A144-I173 HydrophobicContact CB-CD1 4.13Å
145A98Very high95.2Very high15 Ų1544.8 Ų44.812%0.12428%0.275CS..Hα-helixtrans-61.2-42.5174.600000111.8V128 C130 S141 T142 G149V128-A145 HydrophobicContact CB-CB 4.18Å; V128-A145 HydrophobicContact CG1-CB 3.9Å; C130-A145 HydrophobicContact CB-CB 3.8Å; S141-A145 WeakPolarHBondContact O-CB 3.36Å; S141-A145 PolarHBondContact O-N 3.07Å; T142-A145 PolarHBondContact O-N 3.44Å; A145-G149 PolarHBondContact O-N 2.76Å
146G97.8Very high95.6Very high46 Ų4639.6 Ų39.647%0.47424%0.242SC..Hα-helixtrans-63.8-44.3176.400000112.7T142 E143 A144 G149 A150T142-G146 PolarHBondContact O-N 3.49Å; E143-G146 PolarHBondContact O-N 3.11Å; A144-G146 VanDerWaalsContact C-N 3.33Å; A144-G146 PolarHBondContact O-N 2.8Å; G146-G149 PolarHBondContact O-N 2.97Å; G146-A150 PolarHBondContact O-N 2.82Å
147A97.6Very high96Very high10 Ų1035.4 Ų35.48%0.08323%0.23CC..Hα-helixtrans-62.5-50.8177.300000111.7L82 K86 E143 A144 G149 A150 A151L82-A147 HydrophobicContact CB-CB 4.07Å; L82-A147 HydrophobicContact CD2-CB 3.93Å; L82-A147 HydrophobicContact CG-CB 4.47Å; K86-A147 HydrophobicContact CG-CB 4.19Å; K86-A147 WeakPolarHBondContact CG-O 3.48Å; E143-A147 WeakPolarHBondContact O-CB 3.29Å; E143-A147 PolarHBondContact O-N 3.26Å; A144-A147 PolarHBondContact O-N 2.66Å; A147-G149 VanDerWaalsContact C-N 3.28Å; A147-G149 PolarHBondContact O-N 2.94Å; A147-A150 PolarHBondContact O-N 3.02Å; A147-A151 PolarHBondContact O-N 3.49Å
148L98Very high96.1Very high0 Ų034.8 Ų34.80%023%0.227CC..Hα-helixtrans-60.5-41.1175.8-16583000111.3V85 L88 V89 V128 A144 A150 A151 V152 V169 L171 I180V85-L148 HydrophobicContact CG1-CB 4.2Å; V85-L148 HydrophobicContact CG1-CD1 4.11Å; V85-L148 WeakPolarHBondContact O-CD1 3.5Å; L88-L148 HydrophobicContact CB-CD1 4.49Å; V89-L148 HydrophobicContact CG2-CD1 3.41Å; V89-L148 VanDerWaalsContact CG2-CD1 3.41Å; V89-L148 HydrophobicContact CG2-CG 3.86Å; V128-L148 HydrophobicContact CG1-CB 4.3Å; V128-L148 HydrophobicContact CG1-CD2 3.85Å; V128-L148 HydrophobicContact CG2-CD2 4.47Å; A144-L148 WeakPolarHBondContact O-CB 3.33Å; A144-L148 PolarHBondContact O-N 3.49Å; L148-A150 PolarHBondContact O-N 2.9Å; L148-A151 PolarHBondContact O-N 3.34Å; L148-V152 WeakPolarHBondContact O-CG2 3.39Å; L148-V152 PolarHBondContact O-N 3.04Å; L148-V169 HydrophobicContact CD2-CG1 3.99Å; L148-L171 HydrophobicContact CB-CD2 4.15Å; L148-L171 HydrophobicContact CD2-CB 3.97Å; L148-L171 HydrophobicContact CD2-CD1 4.37Å; L148-L171 HydrophobicContact CD2-CD2 4.16Å; L148-L171 HydrophobicContact CD2-CG 4.38Å; L148-I180 HydrophobicContact CD1-CD1 3.71Å; L148-I180 HydrophobicContact CD2-CD1 4.29Å; L148-I180 HydrophobicContact CD2-CG1 4.46Å
149G97.9Very high96.2Very high7 Ų739.8 Ų39.87%0.07224%0.241CC..Hα-helixtrans-59.9-43.8177.900000112.5A145 G146 A147 A151 V152 V153A145-G149 PolarHBondContact O-N 2.76Å; G146-G149 PolarHBondContact O-N 2.97Å; A147-G149 VanDerWaalsContact C-N 3.28Å; A147-G149 PolarHBondContact O-N 2.94Å; G149-A151 VanDerWaalsContact C-N 3.34Å; G149-A151 PolarHBondContact O-N 3.45Å; G149-V152 PolarHBondContact O-N 3.13Å; G149-V153 WeakPolarHBondContact O-CG2 3.12Å; G149-V153 PolarHBondContact O-N 3.08Å
150A97.3Very high96.3Very high43 Ų4343.4 Ų43.436%0.35526%0.263SS..Hα-helixtrans-59-45.3174.400000111.5G146 A147 L148 V152 V153 D154G146-A150 PolarHBondContact O-N 2.82Å; A147-A150 PolarHBondContact O-N 3.02Å; L148-A150 PolarHBondContact O-N 2.9Å; A150-V152 VanDerWaalsContact C-N 3.33Å; A150-V152 PolarHBondContact O-N 3.2Å; A150-V153 PolarHBondContact O-N 2.7Å; A150-D154 WeakPolarHBondContact O-CB 3.44Å; A150-D154 VanDerWaalsContact O-CG 3.29Å; A150-D154 PolarHBondContact O-N 3.13Å
151A97.6Very high96.4Very high13 Ų1341.9 Ų41.911%0.10725%0.253CS..Hα-helixtrans-64.8-33.3177.400000113.3K86 V89 A147 L148 G149 K155K86-A151 HydrophobicContact CB-CB 3.87Å; K86-A151 HydrophobicContact CG-CB 3.99Å; V89-A151 HydrophobicContact CB-CB 4.03Å; V89-A151 HydrophobicContact CG1-CB 4.45Å; V89-A151 HydrophobicContact CG2-CB 3.63Å; A147-A151 PolarHBondContact O-N 3.49Å; L148-A151 PolarHBondContact O-N 3.34Å; G149-A151 VanDerWaalsContact C-N 3.34Å; G149-A151 PolarHBondContact O-N 3.45Å; A151-K155 VanDerWaalsContact O-CB 3.32Å; A151-K155 WeakPolarHBondContact O-CB 3.18Å; A151-K155 PolarHBondContact O-N 3.05Å
152V97Very high96.3Very high0 Ų046 Ų460%027%0.271CS..Hα-helixtrans-70-42.1173.3174.30000111.5V89 W94 F126 L148 G149 A150 D154 K155 F156 W158V89-V152 HydrophobicContact CG1-CG2 4.17Å; V89-V152 HydrophobicContact CG2-CG2 3.95Å; W94-V152 HydrophobicContact CH2-CG1 4.45Å; W94-V152 HydrophobicContact CH2-CG2 3.72Å; W94-V152 HydrophobicContact CZ2-CG2 3.89Å; F126-V152 HydrophobicContact CD2-CG1 3.97Å; F126-V152 HydrophobicContact CE1-CG1 4.15Å; F126-V152 HydrophobicContact CE2-CB 3.69Å; F126-V152 HydrophobicContact CE2-CG1 3.41Å; F126-V152 VanDerWaalsContact CE2-CG1 3.41Å; F126-V152 HydrophobicContact CE2-CG2 4.38Å; F126-V152 HydrophobicContact CZ-CB 3.73Å; F126-V152 HydrophobicContact CZ-CG1 3.51Å; L148-V152 WeakPolarHBondContact O-CG2 3.39Å; L148-V152 PolarHBondContact O-N 3.04Å; G149-V152 PolarHBondContact O-N 3.13Å; A150-V152 VanDerWaalsContact C-N 3.33Å; A150-V152 PolarHBondContact O-N 3.2Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-K155 PolarHBondContact O-N 2.78Å; V152-F156 HydrophobicContact CG1-CD2 3.97Å; V152-F156 PolarHBondContact O-N 3.34Å; V152-W158 HydrophobicContact CG1-CE3 3.8Å; V152-W158 HydrophobicContact CG1-CZ3 4.16Å
153V96.3Very high96.2Very high50 Ų5045.8 Ų45.830%0.30327%0.27SS..Hα-helixtrans-59.3-48.5173.3171.50000109.9F126 G149 A150 G157 V160F126-V153 HydrophobicContact CE1-CG2 3.77Å; F126-V153 HydrophobicContact CZ-CG2 3.83Å; G149-V153 WeakPolarHBondContact O-CG2 3.12Å; G149-V153 PolarHBondContact O-N 3.08Å; A150-V153 PolarHBondContact O-N 2.7Å; V153-G157 VanDerWaalsContact O-CA 3.23Å; V153-G157 WeakPolarHBondContact O-CA 3.27Å; V153-G157 PolarHBondContact O-N 2.8Å; V153-V160 HydrophobicContact CG2-CG2 3.61Å
154D95.7Very high96.1Very high99 Ų9948.1 Ų48.153%0.52928%0.284SS..Hα-helixtrans-56.9-59.1176.5-70.6-24.6000107.8R113 A150 V152 F156R113-D154 PolarHBondContact NE-O 3.32Å; R113-D154 PolarHBondContact NH1-O 3.38Å; R113-D154 PolarHBondContact NH2-O 3.02Å; A150-D154 WeakPolarHBondContact O-CB 3.44Å; A150-D154 VanDerWaalsContact O-CG 3.29Å; A150-D154 PolarHBondContact O-N 3.13Å; V152-D154 VanDerWaalsContact C-N 3.34Å; D154-F156 PolarHBondContact O-N 3.3Å
155K94.4Very high95.9Very high64 Ų6450.8 Ų50.828%0.27830%0.296SS..Hα-helixtrans-56.5-48.7-175.2-171.2162.5-171.4148.10115V89 D90 R113 A151 V152V89-K155 HydrophobicContact CG1-CB 4.21Å; V89-K155 HydrophobicContact CG1-CD 3.66Å; V89-K155 PolarHBondContact O-NZ 3.26Å; V89-K155 VanDerWaalsContact O-NZ 3.14Å; D90-K155 IonicContact OD1-NZ 2.88Å; D90-K155 PolarHBondContact OD1-NZ 3.43Å; R113-K155 PolarHBondContact NH1-O 3.19Å; A151-K155 VanDerWaalsContact O-CB 3.32Å; A151-K155 WeakPolarHBondContact O-CB 3.18Å; A151-K155 PolarHBondContact O-N 3.05Å; V152-K155 PolarHBondContact O-N 2.78Å
156F93.2Very high95.8Very high20 Ų2052 Ų529%0.08830%0.3CS..Hα-helixtrans-110.8-13.2-166.8-60.9-75.1000115.5W94 V152 D154 W158W94-F156 HydrophobicContact CB-CE1 4.47Å; W94-F156 HydrophobicContact CB-CZ 3.77Å; W94-F156 AromaticContact CD1-CZ 3.88Å; W94-F156 AromaticContact CD2-CE2 3.6Å; W94-F156 HydrophobicContact CD2-CE2 3.6Å; W94-F156 AromaticContact CD2-CZ 3.57Å; W94-F156 HydrophobicContact CD2-CZ 3.57Å; W94-F156 AromaticContact CE2-CE2 3.78Å; W94-F156 AromaticContact CE3-CE2 3.82Å; W94-F156 HydrophobicContact CE3-CE2 3.82Å; W94-F156 AromaticContact CE3-CZ 3.96Å; W94-F156 HydrophobicContact CE3-CZ 3.96Å; W94-F156 AromaticContact CG-CE2 3.98Å; W94-F156 HydrophobicContact CG-CE2 3.98Å; W94-F156 AromaticContact CG-CZ 3.46Å; W94-F156 HydrophobicContact CG-CZ 3.46Å; W94-F156 VanDerWaalsContact CG-CZ 3.46Å; W94-F156 HydrophobicContact CH2-CE2 4.4Å; W94-F156 HydrophobicContact CZ2-CE2 4.21Å; W94-F156 HydrophobicContact CZ3-CE2 4.2Å; V152-F156 HydrophobicContact CG1-CD2 3.97Å; V152-F156 PolarHBondContact O-N 3.34Å; D154-F156 PolarHBondContact O-N 3.3Å; F156-W158 HydrophobicContact CB-CD2 3.97Å; F156-W158 HydrophobicContact CB-CG 3.84Å; F156-W158 HydrophobicContact CB-CZ2 4.44Å; F156-W158 HydrophobicContact CD1-CZ2 4.49Å; F156-W158 HydrophobicContact CG-CD2 4.48Å; F156-W158 HydrophobicContact CG-CZ2 4.26Å; F156-W158 PolarHBondContact O-N 3.46Å
157G92.4Very high95.7Very high29 Ų2949.8 Ų49.830%0.29928%0.278SS..  trans7017.4-173.700000114.3V153V153-G157 VanDerWaalsContact O-CA 3.23Å; V153-G157 WeakPolarHBondContact O-CA 3.27Å; V153-G157 PolarHBondContact O-N 2.8Å
158W94.5Very high95.7Very high7 Ų750.7 Ų50.73%0.02728%0.28CS..PPolyproline II helixtrans-68.7153.1179.3-65.7-4.4000112.2W94 L98 L109 P124 F126 V152 F156 V167W94-W158 HydrophobicContact CE3-CH2 4.49Å; W94-W158 HydrophobicContact CZ3-CH2 4.26Å; W94-W158 HydrophobicContact CZ3-CZ3 4.28Å; L98-W158 HydrophobicContact CD1-CH2 4.28Å; L98-W158 HydrophobicContact CD1-CZ2 4.06Å; L98-W158 HydrophobicContact CD2-CH2 3.53Å; L98-W158 HydrophobicContact CD2-CZ2 3.86Å; L98-W158 HydrophobicContact CG-CH2 4.48Å; L109-W158 HydrophobicContact CD1-CZ2 4.2Å; P124-W158 HydrophobicContact CG-CD2 3.56Å; P124-W158 VanDerWaalsContact CG-CE2 3.44Å; P124-W158 HydrophobicContact CG-CE3 4.19Å; P124-W158 HydrophobicContact CG-CG 3.75Å; P124-W158 HydrophobicContact CG-CZ2 4.02Å; F126-W158 HydrophobicContact CB-CE3 3.91Å; F126-W158 HydrophobicContact CB-CZ3 4.47Å; F126-W158 HydrophobicContact CD1-CB 3.48Å; F126-W158 VanDerWaalsContact CD1-CB 3.48Å; F126-W158 HydrophobicContact CD1-CE3 4.04Å; F126-W158 HydrophobicContact CD1-CG 4.47Å; F126-W158 HydrophobicContact CD2-CE3 4.31Å; F126-W158 HydrophobicContact CE1-CB 3.73Å; F126-W158 HydrophobicContact CG-CB 4.4Å; F126-W158 AromaticContact CG-CE3 3.82Å; F126-W158 HydrophobicContact CG-CE3 3.82Å; V152-W158 HydrophobicContact CG1-CE3 3.8Å; V152-W158 HydrophobicContact CG1-CZ3 4.16Å; F156-W158 HydrophobicContact CB-CD2 3.97Å; F156-W158 HydrophobicContact CB-CG 3.84Å; F156-W158 HydrophobicContact CB-CZ2 4.44Å; F156-W158 HydrophobicContact CD1-CZ2 4.49Å; F156-W158 HydrophobicContact CG-CD2 4.48Å; F156-W158 HydrophobicContact CG-CZ2 4.26Å; F156-W158 PolarHBondContact O-N 3.46Å; W158-V167 HydrophobicContact CH2-CG1 4.48Å; W158-V167 HydrophobicContact CZ3-CB 4.4Å; W158-V167 HydrophobicContact CZ3-CG1 4.03Å
159K94.2Very high95.7Very high146 Ų14650.7 Ų50.764%0.63528%0.28SS*.EExtended strand (participates in β ladder)trans-92.3129.9-179.8-66.3-176.8-178.6177.20110.7P124 K125 F126P124-K159 PolarHBondContact O-N 2.92Å; K125-K159 CarbonylContact C-O 3.56Å; K125-K159 WeakPolarHBondContact CA-O 3.38Å; K125-K159 HydrophobicContact CG-CB 4.49Å; F126-K159 WeakPolarHBondContact CD1-O 3.47Å; F126-K159 PolarHBondContact N-O 2.98Å
160V97.1Very high95.7Very high82 Ų8251.6 Ų51.650%0.49728%0.283SS..EExtended strand (participates in β ladder)trans-75.4128.1175.3-179.10000110F126 V153 L162F126-V160 HydrophobicContact CD1-CG2 4.46Å; F126-V160 HydrophobicContact CE1-CG2 3.67Å; F126-V160 HydrophobicContact CZ-CG2 3.89Å; F126-V160 WeakPolarHBondContact O-CA 3.32Å; V153-V160 HydrophobicContact CG2-CG2 3.61Å; V160-L162 HydrophobicContact CG1-CD2 4.05Å
161D96.9Very high95.7Very high34 Ų3449.6 Ų49.618%0.18227%0.266CS..  trans-141.2110170.1-166.5-36.1000108.8K125 F126 V163 N164 F165K125-D161 HydrophobicContact CB-CB 3.93Å; K125-D161 HydrophobicContact CD-CB 3.94Å; K125-D161 HydrophobicContact CG-CB 4.28Å; K125-D161 IonicContact NZ-OD2 2.85Å; K125-D161 PolarHBondContact NZ-OD2 3.43Å; F126-D161 PolarHBondContact O-N 2.91Å; D161-V163 PolarHBondContact O-N 3.31Å; D161-V163 PolarHBondContact OD1-N 2.98Å; D161-V163 VanDerWaalsContact OD1-N 3.09Å; D161-N164 PolarHBondContact OD1-N 3.17Å; D161-F165 WeakPolarHBondContact O-CB 3.47Å
162L95.3Very high95.7Very high121 Ų12149.7 Ų49.763%0.63427%0.265SS*.SBendtrans-75.1-13.9-174.3-59.1-179.2000113.4R127 V160R127-L162 HydrophobicContact CB-CD2 4.21Å; V160-L162 HydrophobicContact CG1-CD2 4.05Å
163V94.4Very high95.6Very high112 Ų11249.8 Ų49.868%0.67927%0.266SS*.SBendtrans-113.6-51.9-172.5-177.40000111.2D161D161-V163 PolarHBondContact O-N 3.31Å; D161-V163 PolarHBondContact OD1-N 2.98Å; D161-V163 VanDerWaalsContact OD1-N 3.09Å
164N94.4Very high95.4Very high112 Ų11250.5 Ų50.560%0.59927%0.266SS*.SBendtrans-113.256.3-175.9-56.4-64.5000110.6K125 D161K125-N164 VanDerWaalsContact CD-O 3.28Å; K125-N164 WeakPolarHBondContact CD-O 3.35Å; D161-N164 PolarHBondContact OD1-N 3.17Å
165F95Very high95.3Very high57 Ų5751.8 Ų51.825%0.2526%0.263CS..  trans-81.1152.6173.653.7-81.7000111.4R127 D161 E168R127-F165 HydrophobicContact CB-CB 4.34Å; R127-F165 HydrophobicContact CB-CD1 4.19Å; R127-F165 HydrophobicContact CB-CG 4.22Å; R127-F165 VanDerWaalsContact CD-CD1 3.47Å; R127-F165 HydrophobicContact CG-CB 4.35Å; R127-F165 HydrophobicContact CG-CD1 3.69Å; R127-F165 HydrophobicContact CG-CD2 4.03Å; R127-F165 HydrophobicContact CG-CE1 3.97Å; R127-F165 HydrophobicContact CG-CE2 4.27Å; R127-F165 HydrophobicContact CG-CG 3.74Å; R127-F165 HydrophobicContact CG-CZ 4.23Å; D161-F165 WeakPolarHBondContact O-CB 3.47Å; F165-E168 HydrophobicContact CD2-CB 4.01Å; F165-E168 HydrophobicContact CE2-CB 3.7Å; F165-E168 HydrophobicContact CE2-CG 4.41Å
166D94.4Very high95.2Very high40 Ų4053 Ų5321%0.21427%0.266CS..SBendtrans-92.4-45.3167.7-52.3-74.7000110.3W101 R107 F122 P124 K125W101-D166 HydrophobicContact CH2-CB 4.47Å; W101-D166 WeakPolarHBondContact CZ2-O 3.14Å; R107-D166 IonicContact CZ-OD1 3.87Å; R107-D166 IonicContact NH1-OD1 2.69Å; R107-D166 PolarHBondContact NH1-OD1 3.23Å; F122-D166 HydrophobicContact CE1-CB 4.2Å; F122-D166 WeakPolarHBondContact CZ-OD2 3.29Å; P124-D166 HydrophobicContact CB-CB 4.35Å; K125-D166 WeakPolarHBondContact CB-OD2 3.26Å; K125-D166 PolarHBondContact N-OD2 2.85Å; K125-D166 WeakPolarHBondContact O-CB 3.38Å; K125-D166 PolarHBondContact O-N 3.45Å
167V95.9Very high95.3Very high0 Ų054.4 Ų54.40%027%0.271CS..EExtended strand (participates in β ladder)trans-107.2129.2-177-177.20000110W101 P124 K125 F126 R127 W158 V169 L182W101-V167 HydrophobicContact CD2-CG2 4.23Å; W101-V167 HydrophobicContact CE3-CG2 4.44Å; W101-V167 HydrophobicContact CH2-CG2 3.82Å; W101-V167 HydrophobicContact CZ2-CB 4.44Å; W101-V167 HydrophobicContact CZ2-CG2 3.54Å; W101-V167 HydrophobicContact CZ3-CG2 4.26Å; P124-V167 HydrophobicContact CB-CG2 3.83Å; P124-V167 HydrophobicContact CG-CG2 4.31Å; K125-V167 PolarHBondContact O-N 3.03Å; F126-V167 CarbonylContact C-O 3.5Å; F126-V167 WeakPolarHBondContact CA-O 3.48Å; F126-V167 HydrophobicContact CB-CB 4Å; F126-V167 WeakPolarHBondContact CB-O 3.26Å; R127-V167 PolarHBondContact N-O 3.18Å; W158-V167 HydrophobicContact CH2-CG1 4.48Å; W158-V167 HydrophobicContact CZ3-CB 4.4Å; W158-V167 HydrophobicContact CZ3-CG1 4.03Å; V167-V169 HydrophobicContact CG1-CG2 4.36Å; V167-L182 HydrophobicContact CG1-CD2 3.84Å
168E97.4Very high95.5Very high29 Ų2953 Ų5314%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-107.6113.9168.8-179.9171.3-145.900110R127 T129 F165 L170 A183R127-E168 HydrophobicContact CG-CG 4.24Å; R127-E168 IonicContact CZ-OE1 3.27Å; R127-E168 VanDerWaalsContact CZ-OE1 3.27Å; R127-E168 IonicContact NE-OE1 2.72Å; R127-E168 PolarHBondContact NE-OE1 3.27Å; R127-E168 IonicContact NH2-OE1 3.42Å; R127-E168 PolarHBondContact NH2-OE1 2.82Å; T129-E168 WeakPolarHBondContact CB-OE1 3.47Å; T129-E168 PolarHBondContact OG1-OE1 2.92Å; F165-E168 HydrophobicContact CD2-CB 4.01Å; F165-E168 HydrophobicContact CE2-CB 3.7Å; F165-E168 HydrophobicContact CE2-CG 4.41Å; E168-L170 HydrophobicContact CG-CD2 3.81Å; E168-A183 HydrophobicContact CB-CB 3.92Å; E168-A183 HydrophobicContact CG-CB 4.31Å; E168-A183 PolarHBondContact O-N 2.69Å
169V98.2Very high95.6Very high0 Ų053 Ų530%026%0.256CS..EExtended strand (participates in β ladder)trans-87.8123.4171.8-177.10000108.2W94 F126 R127 V128 T129 L148 V167 I180 L182W94-V169 HydrophobicContact CH2-CG1 3.99Å; W94-V169 HydrophobicContact CH2-CG2 4.01Å; W94-V169 HydrophobicContact CZ3-CG2 4.17Å; F126-V169 HydrophobicContact CD2-CG2 4.01Å; R127-V169 PolarHBondContact O-N 3.23Å; V128-V169 CarbonylContact C-O 3.52Å; V128-V169 VanDerWaalsContact CA-O 3.31Å; V128-V169 WeakPolarHBondContact CA-O 3.48Å; V128-V169 HydrophobicContact CG2-CB 4.21Å; T129-V169 PolarHBondContact N-O 3.06Å; L148-V169 HydrophobicContact CD2-CG1 3.99Å; V167-V169 HydrophobicContact CG1-CG2 4.36Å; V169-I180 HydrophobicContact CG1-CG2 4.08Å; V169-L182 HydrophobicContact CB-CD2 4.47Å; V169-L182 HydrophobicContact CG2-CD2 3.85Å
170L98.1Very high95.8Very high26 Ų2646.1 Ų46.114%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-98.3129.9179.7-58.3176.6000109.7E168 I180 G181 A183E168-L170 HydrophobicContact CG-CD2 3.81Å; L170-I180 CarbonylContact O-C 3.51Å; L170-I180 VanDerWaalsContact O-CA 3.3Å; L170-I180 WeakPolarHBondContact O-CA 3.46Å; L170-G181 PolarHBondContact N-O 2.9Å; L170-G181 PolarHBondContact O-N 2.91Å; L170-A183 HydrophobicContact CD1-CB 4.27Å; L170-A183 HydrophobicContact CG-CB 4.46Å
171L98.1Very high95.9Very high0 Ų042.3 Ų42.30%020%0.204CC..EExtended strand (participates in β ladder)trans-118.6105.4171.9178.259.6000109.6V85 L88 V128 T129 C130 N131 A144 L148 I173 R179 I180V85-L171 HydrophobicContact CG1-CD2 3.87Å; L88-L171 HydrophobicContact CD1-CD1 4.45Å; V128-L171 HydrophobicContact CG1-CB 4.29Å; T129-L171 PolarHBondContact O-N 3.09Å; C130-L171 CarbonylContact C-O 3.42Å; C130-L171 WeakPolarHBondContact CA-O 3.39Å; C130-L171 HydrophobicContact CB-CB 4.13Å; C130-L171 HydrophobicContact CB-CD2 4.27Å; C130-L171 HydrophobicContact CB-CG 4.4Å; C130-L171 PolarHBondContact SG-O 2.7Å; C130-L171 VanDerWaalsContact SG-O 3.4Å; N131-L171 PolarHBondContact N-O 2.72Å; A144-L171 HydrophobicContact CB-CD2 4.03Å; L148-L171 HydrophobicContact CB-CD2 4.15Å; L148-L171 HydrophobicContact CD2-CB 3.97Å; L148-L171 HydrophobicContact CD2-CD1 4.37Å; L148-L171 HydrophobicContact CD2-CD2 4.16Å; L148-L171 HydrophobicContact CD2-CG 4.38Å; L171-I173 HydrophobicContact CD1-CD1 4.34Å; L171-I173 HydrophobicContact CD1-CG1 4.02Å; L171-I173 HydrophobicContact CD2-CD1 4.02Å; L171-I173 HydrophobicContact CD2-CG1 4.47Å; L171-I173 HydrophobicContact CG-CD1 4.12Å; L171-I173 HydrophobicContact CG-CG1 4.02Å; L171-R179 WeakPolarHBondContact CA-O 3.48Å; L171-I180 HydrophobicContact CD1-CG1 4.11Å
172N96.2Very high95.9Very high15 Ų1540.7 Ų40.78%0.0820%0.195CC..EExtended strand (participates in β ladder)trans-104.6111.6176.8-67.5-41000109.1N131 A178 R179N131-N172 WeakPolarHBondContact CB-OD1 3.42Å; N131-N172 PolarHBondContact ND2-OD1 3.33Å; N131-N172 VanDerWaalsContact ND2-OD1 3.09Å; N131-N172 WeakPolarHBondContact O-CA 3.43Å; N172-A178 CarbonylContact O-C 3.56Å; N172-A178 WeakPolarHBondContact O-CA 3.28Å; N172-R179 HydrophobicContact CB-CB 4.33Å; N172-R179 PolarHBondContact N-O 2.89Å; N172-R179 PolarHBondContact O-N 3.3Å
173I95.4Very high96Very high3 Ų335.2 Ų35.22%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-108.2118.6175.9-58.7172.5000108.7L72 V85 N131 R132 T133 H137 F139 A144 L171 R177 A178L72-I173 HydrophobicContact CD2-CD1 4.42Å; L72-I173 HydrophobicContact CD2-CG2 4.4Å; V85-I173 HydrophobicContact CG2-CD1 4.35Å; N131-I173 PolarHBondContact O-N 2.83Å; R132-I173 CarbonylContact C-O 3.57Å; R132-I173 VanDerWaalsContact CA-O 3.28Å; R132-I173 WeakPolarHBondContact CA-O 3.44Å; R132-I173 HydrophobicContact CG-CB 4.3Å; R132-I173 HydrophobicContact CG-CG2 4.48Å; T133-I173 PolarHBondContact N-O 3.26Å; H137-I173 VanDerWaalsContact NE2-CG2 3.28Å; H137-I173 WeakPolarHBondContact NE2-CG2 3.46Å; F139-I173 HydrophobicContact CE2-CD1 3.83Å; F139-I173 HydrophobicContact CZ-CD1 4.1Å; A144-I173 HydrophobicContact CB-CD1 4.13Å; L171-I173 HydrophobicContact CD1-CD1 4.34Å; L171-I173 HydrophobicContact CD1-CG1 4.02Å; L171-I173 HydrophobicContact CD2-CD1 4.02Å; L171-I173 HydrophobicContact CD2-CG1 4.47Å; L171-I173 HydrophobicContact CG-CD1 4.12Å; L171-I173 HydrophobicContact CG-CG1 4.02Å; I173-R177 CarbonylContact C-O 3.56Å; I173-R177 WeakPolarHBondContact CA-O 3.41Å; I173-A178 HydrophobicContact CG1-CB 4.3Å
174E92.9Very high96.2Very high64 Ų6430 Ų3030%0.29914%0.136SC..EExtended strand (participates in β ladder)trans-127.4106.4178.8-175.1177.1-16500109.6T133 R176 R177 R179T133-E174 WeakPolarHBondContact O-CA 3.29Å; E174-R176 PolarHBondContact O-N 3.48Å; E174-R177 PolarHBondContact N-O 3.09Å; E174-R177 WeakPolarHBondContact O-CB 3.46Å; E174-R177 PolarHBondContact O-N 3.01Å; E174-R179 IonicContact OE2-NH2 2.66Å
175W92.2Very high96.2Very high126 Ų12625 Ų2548%0.47711%0.109SC..THydrogen-bonded Turntrans52.4-119-169.4-53.4101.7000110.3I74 T133 H137I74-W175 WeakPolarHBondContact CD1-O 3.47Å; T133-W175 PolarHBondContact O-N 2.99Å; H137-W175 PolarHBondContact NE2-O 3.17Å
176R94.1Very high95.9Very high91 Ų9128 Ų2834%0.34313%0.128SC..THydrogen-bonded Turntrans-90.73.4177-62.5179.363.192.52.9113.4D71 L72 I74 E174D71-R176 CarbonylContact C-O 3.59Å; D71-R176 WeakPolarHBondContact CA-O 3.46Å; D71-R176 IonicContact OD1-CZ 2.69Å; D71-R176 IonicContact OD1-NE 3.68Å; D71-R176 PolarHBondContact OD1-NE 3.48Å; D71-R176 IonicContact OD1-NH2 3.12Å; D71-R176 PolarHBondContact OD1-NH2 3.42Å; D71-R176 IonicContact OD2-NH2 3.63Å; L72-R176 WeakPolarHBondContact CA-O 3.46Å; L72-R176 VanDerWaalsContact CB-O 3.32Å; L72-R176 WeakPolarHBondContact CB-O 3.25Å; L72-R176 PolarHBondContact N-O 2.78Å; I74-R176 HydrophobicContact CD1-CG 4.28Å; E174-R176 PolarHBondContact O-N 3.48Å
177R94.9Very high95.8Very high49 Ų4935.2 Ų35.219%0.18515%0.152CC..EExtended strand (participates in β ladder)trans-97.4133.4179.6-175175.9-175.6-172.35.5110.5R34 D36 D68 E69 I173 E174R34-R177 VanDerWaalsContact CZ-NH2 3.34Å; D36-R177 IonicContact OD2-NH1 2.68Å; D36-R177 PolarHBondContact OD2-NH1 3.1Å; D68-R177 VanDerWaalsContact CG-NH2 3.29Å; D68-R177 IonicContact OD1-CZ 3.76Å; D68-R177 IonicContact OD1-NE 2.7Å; D68-R177 PolarHBondContact OD1-NE 2.91Å; D68-R177 IonicContact OD1-NH2 3.73Å; D68-R177 PolarHBondContact OD1-NH2 3.46Å; D68-R177 IonicContact OD2-CZ 3.42Å; D68-R177 IonicContact OD2-NE 3.62Å; D68-R177 IonicContact OD2-NH2 2.69Å; D68-R177 PolarHBondContact OD2-NH2 3.12Å; E69-R177 CarbonylContact O-C 3.49Å; E69-R177 WeakPolarHBondContact O-CA 3.39Å; E69-R177 WeakPolarHBondContact O-CG 3.41Å; I173-R177 CarbonylContact C-O 3.56Å; I173-R177 WeakPolarHBondContact CA-O 3.41Å; E174-R177 PolarHBondContact N-O 3.09Å; E174-R177 WeakPolarHBondContact O-CB 3.46Å; E174-R177 PolarHBondContact O-N 3.01Å
178A96.1Very high95.6Very high0 Ų036.2 Ų36.20%016%0.159CC..EExtended strand (participates in β ladder)trans-124.7131.7176.100000111.2E69 L72 L88 N172 I173E69-A178 HydrophobicContact CB-CB 4.48Å; E69-A178 PolarHBondContact N-O 3.4Å; E69-A178 PolarHBondContact O-N 2.92Å; L72-A178 HydrophobicContact CB-CB 4.05Å; L72-A178 HydrophobicContact CD2-CB 3.94Å; L72-A178 HydrophobicContact CG-CB 4.41Å; L88-A178 HydrophobicContact CD1-CB 3.7Å; N172-A178 CarbonylContact O-C 3.56Å; N172-A178 WeakPolarHBondContact O-CA 3.28Å; I173-A178 HydrophobicContact CG1-CB 4.3Å
179R96.9Very high95.5Very high6 Ų637 Ų372%0.02316%0.164CC..EExtended strand (participates in β ladder)trans-122.1133.3177-78.7175.9-77.6122.1-9.4110.5E9 Y41 L67 D68 L171 N172 E174E9-R179 IonicContact OE1-NH1 3.31Å; E9-R179 PolarHBondContact OE1-NH1 3.07Å; E9-R179 IonicContact OE2-NH1 3.3Å; E9-R179 PolarHBondContact OE2-NH1 3.48Å; Y41-R179 VanDerWaalsContact CE1-NH1 3.3Å; Y41-R179 PolarHBondContact OH-NH1 3.22Å; Y41-R179 PolarHBondContact OH-NH2 2.65Å; L67-R179 VanDerWaalsContact O-CA 3.29Å; L67-R179 WeakPolarHBondContact O-CA 3.46Å; D68-R179 HydrophobicContact CB-CG 4.01Å; D68-R179 VanDerWaalsContact OD1-CG 3.31Å; D68-R179 WeakPolarHBondContact OD1-CG 3.39Å; L171-R179 WeakPolarHBondContact CA-O 3.48Å; N172-R179 HydrophobicContact CB-CB 4.33Å; N172-R179 PolarHBondContact N-O 2.89Å; N172-R179 PolarHBondContact O-N 3.3Å; E174-R179 IonicContact OE2-NH2 2.66Å
180I98.2Very high95.2Very high2 Ų237.2 Ų37.21%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-110.2135.8171.1-61.3178.7000108.3L66 L67 L88 L148 V169 L170 L171L66-I180 HydrophobicContact CB-CG2 4.28Å; L66-I180 HydrophobicContact CD1-CG2 4.02Å; L66-I180 HydrophobicContact CG-CG2 4.32Å; L66-I180 PolarHBondContact N-O 3.04Å; L67-I180 HydrophobicContact CB-CB 4.23Å; L67-I180 HydrophobicContact CD2-CD1 4.4Å; L67-I180 PolarHBondContact N-O 2.54Å; L67-I180 PolarHBondContact O-N 3.43Å; L88-I180 HydrophobicContact CB-CD1 3.49Å; L88-I180 VanDerWaalsContact CB-CD1 3.49Å; L88-I180 HydrophobicContact CD1-CD1 4.4Å; L148-I180 HydrophobicContact CD1-CD1 3.71Å; L148-I180 HydrophobicContact CD2-CD1 4.29Å; L148-I180 HydrophobicContact CD2-CG1 4.46Å; V169-I180 HydrophobicContact CG1-CG2 4.08Å; L170-I180 CarbonylContact O-C 3.51Å; L170-I180 VanDerWaalsContact O-CA 3.3Å; L170-I180 WeakPolarHBondContact O-CA 3.46Å; L171-I180 HydrophobicContact CD1-CG1 4.11Å
181G98.1Very high94.8Very high2 Ų242.8 Ų42.82%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-146168.2174.700000113.2I64 L170I64-G181 CarbonylContact O-C 3.53Å; I64-G181 WeakPolarHBondContact O-CA 2.98Å; L170-G181 PolarHBondContact N-O 2.9Å; L170-G181 PolarHBondContact O-N 2.91Å
182L97.9Very high94.5Very high0 Ų044.7 Ų44.70%020%0.202CC..EExtended strand (participates in β ladder)trans-109.9130.7167.3-59.5177.4000109.6S63 I64 L66 W94 L98 W101 V167 V169 L184S63-L182 CarbonylContact C-O 3.59Å; S63-L182 WeakPolarHBondContact CA-O 3.09Å; S63-L182 WeakPolarHBondContact CB-O 3.41Å; I64-L182 HydrophobicContact CG2-CB 3.82Å; I64-L182 HydrophobicContact CG2-CG 4.44Å; I64-L182 PolarHBondContact N-O 3.42Å; I64-L182 PolarHBondContact O-N 2.92Å; L66-L182 HydrophobicContact CD1-CD1 4.41Å; L66-L182 HydrophobicContact CD1-CD2 4.26Å; L66-L182 HydrophobicContact CD1-CG 3.97Å; L66-L182 HydrophobicContact CD2-CD1 4.34Å; L66-L182 HydrophobicContact CD2-CG 4.15Å; L66-L182 HydrophobicContact CG-CG 4.33Å; W94-L182 HydrophobicContact CZ3-CD2 3.96Å; L98-L182 HydrophobicContact CD2-CD1 3.81Å; L98-L182 HydrophobicContact CG-CD1 4.28Å; W101-L182 HydrophobicContact CB-CD1 4.1Å; W101-L182 HydrophobicContact CG-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CD2 3.84Å; V169-L182 HydrophobicContact CB-CD2 4.47Å; V169-L182 HydrophobicContact CG2-CD2 3.85Å; L182-L184 PolarHBondContact O-N 2.88Å
183A97.9Very high94.2Very high6 Ų645.8 Ų45.85%0.0521%0.208CC..EExtended strand (participates in β ladder)trans-65.7129.5174.900000110.7E168 L170E168-A183 HydrophobicContact CB-CB 3.92Å; E168-A183 HydrophobicContact CG-CB 4.31Å; E168-A183 PolarHBondContact O-N 2.69Å; L170-A183 HydrophobicContact CD1-CB 4.27Å; L170-A183 HydrophobicContact CG-CB 4.46Å
184L97.2Very high93.9Very high3 Ų348 Ų482%0.01622%0.22CC..SBendtrans-100-2.8174.6-57.4179.4000112.2F8 L54 L62 I64 V100 W101 V104 L182F8-L184 HydrophobicContact CD1-CD1 3.84Å; F8-L184 HydrophobicContact CE1-CD1 3.74Å; L54-L184 HydrophobicContact CD2-CB 4.14Å; L62-L184 PolarHBondContact O-N 2.89Å; I64-L184 HydrophobicContact CB-CD1 4.28Å; I64-L184 HydrophobicContact CB-CD2 4.5Å; I64-L184 HydrophobicContact CG2-CD2 4.11Å; V100-L184 HydrophobicContact CG1-CD1 4.07Å; V100-L184 HydrophobicContact CG1-CD2 3.94Å; W101-L184 HydrophobicContact CB-CD2 4.5Å; V104-L184 HydrophobicContact CG2-CD2 4.16Å; L182-L184 PolarHBondContact O-N 2.88Å
185T95.1Very high94Very high7 Ų749.6 Ų49.64%0.04323%0.233CC..  trans-134115.2-179.2550000109.8L54 H61 L62 L189L54-T185 HydrophobicContact CD2-CG2 4.03Å; H61-T185 WeakPolarHBondContact CA-OG1 3.34Å; L62-T185 HydrophobicContact CB-CG2 4.08Å; L62-T185 PolarHBondContact N-OG1 2.82Å; L62-T185 VanDerWaalsContact N-OG1 3.12Å; T185-L189 HydrophobicContact CG2-CD1 3.94Å; T185-L189 HydrophobicContact CG2-CD2 3.96Å; T185-L189 HydrophobicContact CG2-CG 3.92Å
186D89.7Confident93.9Very high120 Ų12045 Ų4564%0.64222%0.22SC*.SBendtrans-74.7-29.717568.1-28.3000112.4Y105Y105-D186 PolarHBondContact OH-N 2.92Å
187R91.1Very high93.6Very high190 Ų19044.2 Ų44.272%0.71723%0.228SC*.SBendtrans-115.7150.1178.7-63.3179.9-173.1-154.6-0.5111.1L189R187-L189 PolarHBondContact O-N 2.97Å
188C92.5Very high92.9Very high22 Ų2242.9 Ų42.915%0.14923%0.23CC..  trans-66.7117.2174.1-172.50000110.2N60 H61 A190 L191N60-C188 CarbonylContact O-C 3.56Å; N60-C188 WeakPolarHBondContact O-CA 3.32Å; H61-C188 VanDerWaalsContact CE1-CA 3.5Å; H61-C188 WeakPolarHBondContact CE1-CA 3.46Å; C188-A190 PolarHBondContact O-N 3.24Å; C188-L191 HydrophobicContact CB-CD1 4.16Å; C188-L191 HydrophobicContact CB-CG 4.14Å; C188-L191 WeakPolarHBondContact O-CB 3.36Å; C188-L191 PolarHBondContact O-N 2.78Å
189L94.8Very high92Very high46 Ų4648.9 Ų48.924%0.24127%0.268CS..THydrogen-bonded Turntrans-61.3-17.3-179.9-63.6179.6000113.2F59 N60 L62 T185 R187 L191 R192F59-L189 WeakPolarHBondContact O-CB 3.49Å; N60-L189 PolarHBondContact O-N 2.91Å; L62-L189 HydrophobicContact CD1-CD1 3.84Å; L62-L189 HydrophobicContact CG-CD1 4.31Å; T185-L189 HydrophobicContact CG2-CD1 3.94Å; T185-L189 HydrophobicContact CG2-CD2 3.96Å; T185-L189 HydrophobicContact CG2-CG 3.92Å; R187-L189 PolarHBondContact O-N 2.97Å; L189-L191 PolarHBondContact O-N 3.13Å; L189-R192 PolarHBondContact O-NH1 2.84Å
190A92.3Very high91.1Very high4 Ų452.1 Ų52.13%0.03329%0.289CS..THydrogen-bonded Turntrans-68.8-17.5174.600000114C188 R192 K203 A204 T205C188-A190 PolarHBondContact O-N 3.24Å; A190-R192 VanDerWaalsContact C-N 3.26Å; A190-R192 PolarHBondContact O-N 2.63Å; A190-R192 VanDerWaalsContact O-N 3.13Å; A190-K203 HydrophobicContact CB-CB 4.02Å; A190-K203 HydrophobicContact CB-CD 4.08Å; A190-K203 HydrophobicContact CB-CG 4.16Å; A190-A204 WeakPolarHBondContact O-CB 3.31Å; A190-A204 PolarHBondContact O-N 3.21Å; A190-T205 HydrophobicContact CB-CG2 3.73Å; A190-T205 WeakPolarHBondContact CB-OG1 3.39Å
191L89.8Confident90.6Very high142 Ų14253.8 Ų53.874%0.74330%0.303SS*.SBendtrans-8861.1-178.4-57.5179.5000110.9C188 L189C188-L191 HydrophobicContact CB-CD1 4.16Å; C188-L191 HydrophobicContact CB-CG 4.14Å; C188-L191 WeakPolarHBondContact O-CB 3.36Å; C188-L191 PolarHBondContact O-N 2.78Å; L189-L191 PolarHBondContact O-N 3.13Å
192R92.4Very high90.2Very high41 Ų4154.5 Ų54.516%0.15531%0.306CS..  trans-125166179.462.5-179.3-178.3-98.48.3111.4R57 L189 A190 L194 A204 E235R57-R192 VanDerWaalsContact NH2-NE 3.19Å; R57-R192 PolarHBondContact O-NH1 3.03Å; R57-R192 PolarHBondContact O-NH2 3.36Å; L189-R192 PolarHBondContact O-NH1 2.84Å; A190-R192 VanDerWaalsContact C-N 3.26Å; A190-R192 PolarHBondContact O-N 2.63Å; A190-R192 VanDerWaalsContact O-N 3.13Å; R192-L194 PolarHBondContact O-N 3.22Å; R192-A204 HydrophobicContact CG-CB 3.47Å; R192-A204 VanDerWaalsContact CG-CB 3.47Å; R192-A204 PolarHBondContact NH2-O 3.21Å; R192-E235 IonicContact CZ-OE1 3.71Å; R192-E235 IonicContact CZ-OE2 2.85Å; R192-E235 IonicContact NE-OE1 3.92Å; R192-E235 PolarHBondContact NE-OE1 3.13Å; R192-E235 IonicContact NE-OE2 3.65Å; R192-E235 PolarHBondContact NE-OE2 2.74Å; R192-E235 VanDerWaalsContact NH2-CD 3.32Å; R192-E235 IonicContact NH2-OE1 2.66Å; R192-E235 PolarHBondContact NH2-OE1 3.49Å; R192-E235 IonicContact NH2-OE2 2.87Å
193N89Confident90Very high37 Ų3759.2 Ų59.220%0.19833%0.326CS..SBendtrans63.5-15.6175.4-43.5-26.6000117.1L234 E235N193-L234 HydrophobicContact CB-CB 4.11Å; N193-E235 PolarHBondContact ND2-OE2 2.85Å
194L89.7Confident89.9Confident51 Ų5159.1 Ų59.127%0.26733%0.325SS..  trans-106.3117-177.3-58.4176.3000110.9R192 C197 A201 S231 L234 N261R192-L194 PolarHBondContact O-N 3.22Å; L194-C197 HydrophobicContact CB-CB 4.39Å; L194-C197 HydrophobicContact CD1-CB 4.1Å; L194-A201 HydrophobicContact CD1-CB 4.05Å; L194-S231 WeakPolarHBondContact CD1-OG 3.36Å; L194-L234 HydrophobicContact CD2-CD1 3.65Å; L194-N261 HydrophobicContact CD2-CB 4.43Å; L194-N261 VanDerWaalsContact CD2-ND2 3.33Å; L194-N261 WeakPolarHBondContact CD2-ND2 3.27Å
195V93.9Very high89.9Confident97 Ų9759.1 Ų59.159%0.58833%0.326SS*.SBendtrans-99.2-18.9168.3-63.10000112.1K260 N261 S264V195-K260 HydrophobicContact CG2-CB 4.47Å; V195-N261 VanDerWaalsContact CG2-OD1 3.29Å; V195-N261 WeakPolarHBondContact CG2-OD1 3.43Å; V195-N261 PolarHBondContact N-OD1 3.34Å; V195-S264 WeakPolarHBondContact CG1-OG 3.45Å
196S91.3Very high90Very high29 Ų2959.1 Ų59.120%0.20333%0.325CS..SBendtrans-141.1117178.3-169.20000109.7N261S196-N261 PolarHBondContact N-OD1 2.81Å; S196-N261 PolarHBondContact O-ND2 3.05Å; S196-N261 PolarHBondContact O-OD1 3.25Å
197C87.7Confident90.4Very high75 Ų7553.4 Ų53.451%0.50730%0.295SS..  trans-145.7151.7-177.4630000112.4L194 A201L194-C197 HydrophobicContact CB-CB 4.39Å; L194-C197 HydrophobicContact CD1-CB 4.1Å; C197-A201 HydrophobicContact CB-CB 3.75Å
198G79.7Confident90.7Very high21 Ų2145 Ų4522%0.21626%0.263CS..  trans-88.9175.6171.400000112.4T200 A201G198-T200 PolarHBondContact O-N 2.86Å; G198-A201 PolarHBondContact O-N 3.43Å
199P76.1Confident91Very high125 Ų12544 Ų4481%0.81226%0.257SS*.THydrogen-bonded Turntrans-67.4-7.4-175.528.3-36.1000114.6
200T79Confident91.1Very high75 Ų7541.8 Ų41.846%0.4625%0.245SC..THydrogen-bonded Turntrans-114.411.7-177.657.30000113G198 M202 R303G198-T200 PolarHBondContact O-N 2.86Å; T200-M202 PolarHBondContact O-N 2.78Å; T200-R303 HydrophobicContact CG2-CB 4.28Å
201A86.3Confident91.4Very high36 Ų3641.6 Ų41.630%0.29824%0.244SC..PPolyproline II helixtrans-62.9130.9179.800000111.6L194 C197 G198L194-A201 HydrophobicContact CD1-CB 4.05Å; C197-A201 HydrophobicContact CB-CB 3.75Å; G198-A201 PolarHBondContact O-N 3.43Å
202M90.8Very high91.7Very high18 Ų1835.9 Ų35.99%0.08921%0.212CC..PPolyproline II helixtrans-68.9138.4176.5-176.5-179.9-69.700110.5T200 I206 A207 L210 S231 I232 D297T200-M202 PolarHBondContact O-N 2.78Å; M202-I206 HydrophobicContact CG-CB 4.02Å; M202-I206 HydrophobicContact CG-CG2 4.09Å; M202-I206 HydrophobicContact SD-CB 4.26Å; M202-I206 HydrophobicContact SD-CG2 3.87Å; M202-A207 HydrophobicContact SD-CB 4.12Å; M202-L210 HydrophobicContact CE-CD1 3.7Å; M202-L210 HydrophobicContact SD-CD1 3.53Å; M202-L210 VanDerWaalsContact SD-CD1 3.53Å; M202-S231 VanDerWaalsContact O-CB 3.29Å; M202-S231 WeakPolarHBondContact O-CB 3.38Å; M202-S231 PolarHBondContact O-OG 3.23Å; M202-I232 HydrophobicContact CE-CD1 4.31Å; M202-I232 HydrophobicContact SD-CD1 4.28Å; M202-I232 HydrophobicContact SD-CG1 4.04Å; M202-D297 HydrophobicContact CE-CB 3.69Å; M202-D297 WeakPolarHBondContact CE-OD2 3.31Å
203K93.7Very high92Very high98 Ų9834.8 Ų34.843%0.42621%0.209SC..PPolyproline II helixtrans-61137.4171.5-78.3-172.2178.7-171.70110.8A190 T205 I206 A207A190-K203 HydrophobicContact CB-CB 4.02Å; A190-K203 HydrophobicContact CB-CD 4.08Å; A190-K203 HydrophobicContact CB-CG 4.16Å; K203-T205 VanDerWaalsContact C-N 3.25Å; K203-T205 PolarHBondContact O-N 3.04Å; K203-I206 HydrophobicContact CB-CD1 4.24Å; K203-I206 HydrophobicContact CB-CG1 4.08Å; K203-I206 WeakPolarHBondContact O-CB 3.44Å; K203-I206 PolarHBondContact O-N 2.87Å; K203-A207 PolarHBondContact O-N 2.83Å; K203-A207 VanDerWaalsContact O-N 3.08Å
204A95.9Very high92.3Very high4 Ų433 Ų333%0.03320%0.2CC..Hα-helixtrans-62.4-30.7-176.700000113.4A190 R192 I206 A207 Y208A190-A204 WeakPolarHBondContact O-CB 3.31Å; A190-A204 PolarHBondContact O-N 3.21Å; R192-A204 HydrophobicContact CG-CB 3.47Å; R192-A204 VanDerWaalsContact CG-CB 3.47Å; R192-A204 PolarHBondContact NH2-O 3.21Å; A204-I206 VanDerWaalsContact C-N 3.33Å; A204-I206 PolarHBondContact O-N 2.88Å; A204-A207 PolarHBondContact O-N 3.01Å; A204-Y208 WeakPolarHBondContact O-CB 3.12Å; A204-Y208 PolarHBondContact O-N 2.81Å
205T97.2Very high92.7Very high4 Ų437.4 Ų37.43%0.02522%0.217CC..Hα-helixtrans-63.2-3817447.40000112.6R57 F59 N60 A190 K203 G209R57-T205 WeakPolarHBondContact O-CG2 3.39Å; F59-T205 WeakPolarHBondContact O-CG2 3.29Å; N60-T205 WeakPolarHBondContact OD1-CG2 3.45Å; N60-T205 PolarHBondContact OD1-OG1 2.81Å; A190-T205 HydrophobicContact CB-CG2 3.73Å; A190-T205 WeakPolarHBondContact CB-OG1 3.39Å; K203-T205 VanDerWaalsContact C-N 3.25Å; K203-T205 PolarHBondContact O-N 3.04Å; T205-G209 PolarHBondContact O-N 2.81Å; T205-G209 VanDerWaalsContact O-N 3.08Å
206I96.9Very high92.8Very high6 Ų633.2 Ų33.23%0.03119%0.191CC..Hα-helixtrans-71.9-46.4176.7-57.1-172.6000109.8A13 L16 M202 K203 A204 Y208 G209 L210 I358 V360A13-I206 HydrophobicContact CB-CD1 3.95Å; A13-I206 HydrophobicContact CB-CG1 3.82Å; L16-I206 HydrophobicContact CD1-CB 4.41Å; L16-I206 HydrophobicContact CD1-CG2 4.09Å; M202-I206 HydrophobicContact CG-CB 4.02Å; M202-I206 HydrophobicContact CG-CG2 4.09Å; M202-I206 HydrophobicContact SD-CB 4.26Å; M202-I206 HydrophobicContact SD-CG2 3.87Å; K203-I206 HydrophobicContact CB-CD1 4.24Å; K203-I206 HydrophobicContact CB-CG1 4.08Å; K203-I206 WeakPolarHBondContact O-CB 3.44Å; K203-I206 PolarHBondContact O-N 2.87Å; A204-I206 VanDerWaalsContact C-N 3.33Å; A204-I206 PolarHBondContact O-N 2.88Å; I206-Y208 VanDerWaalsContact C-N 3.27Å; I206-Y208 PolarHBondContact O-N 3.23Å; I206-G209 PolarHBondContact O-N 2.9Å; I206-G209 VanDerWaalsContact O-N 3.13Å; I206-L210 HydrophobicContact CG2-CD1 4.38Å; I206-L210 HydrophobicContact CG2-CG 4.49Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.78Å; I206-I358 HydrophobicContact CG2-CG2 4.26Å; I206-V360 HydrophobicContact CD1-CB 4.43Å; I206-V360 HydrophobicContact CD1-CG1 4.24Å; I206-V360 HydrophobicContact CD1-CG2 3.76Å
207A97.5Very high93.1Very high0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-53.1-46.8173.500000111.4M202 K203 A204 G209 L210 L211 I232 E235M202-A207 HydrophobicContact SD-CB 4.12Å; K203-A207 PolarHBondContact O-N 2.83Å; K203-A207 VanDerWaalsContact O-N 3.08Å; A204-A207 PolarHBondContact O-N 3.01Å; A207-G209 PolarHBondContact O-N 3.09Å; A207-L210 PolarHBondContact O-N 2.68Å; A207-L211 WeakPolarHBondContact O-CD1 3.41Å; A207-L211 WeakPolarHBondContact O-CG 3.5Å; A207-L211 PolarHBondContact O-N 2.7Å; A207-I232 HydrophobicContact CB-CG1 4.15Å; A207-E235 HydrophobicContact CB-CB 4.09Å; A207-E235 HydrophobicContact CB-CG 4.29Å
208Y98.1Very high93.4Very high14 Ų1437.9 Ų37.96%0.05521%0.205CC..Hα-helixtrans-59-46176.6-174.6-107.1000112.6E23 R57 S58 A204 I206 L210 L211 R212 E235 C239 W240E23-Y208 HydrophobicContact CG-CE1 4.33Å; E23-Y208 WeakPolarHBondContact OE2-CE1 3.47Å; R57-Y208 HydrophobicContact CB-CD1 3.75Å; R57-Y208 HydrophobicContact CB-CD2 3.94Å; R57-Y208 HydrophobicContact CB-CE1 3.79Å; R57-Y208 HydrophobicContact CB-CE2 4Å; R57-Y208 HydrophobicContact CB-CG 3.82Å; S58-Y208 WeakPolarHBondContact OG-CD1 3.48Å; S58-Y208 WeakPolarHBondContact OG-CE1 3.49Å; A204-Y208 WeakPolarHBondContact O-CB 3.12Å; A204-Y208 PolarHBondContact O-N 2.81Å; I206-Y208 VanDerWaalsContact C-N 3.27Å; I206-Y208 PolarHBondContact O-N 3.23Å; Y208-L210 PolarHBondContact O-N 2.87Å; Y208-L211 PolarHBondContact O-N 3.18Å; Y208-R212 HydrophobicContact CD1-CG 4.23Å; Y208-R212 HydrophobicContact CE1-CG 3.88Å; Y208-R212 HydrophobicContact CE2-CG 4.44Å; Y208-R212 WeakPolarHBondContact O-CB 3.25Å; Y208-R212 WeakPolarHBondContact O-CG 3.42Å; Y208-R212 PolarHBondContact O-N 3.49Å; Y208-E235 HydrophobicContact CD2-CG 4.33Å; Y208-C239 HydrophobicContact CE2-CB 4.33Å; Y208-W240 HydrophobicContact CD2-CH2 4.24Å; Y208-W240 HydrophobicContact CD2-CZ3 4.42Å; Y208-W240 AromaticContact CE2-CH2 3.94Å; Y208-W240 HydrophobicContact CE2-CH2 3.94Å; Y208-W240 HydrophobicContact CE2-CZ3 4.37Å
209G97.7Very high94.2Very high1 Ų142.8 Ų42.81%0.0123%0.226CC..Hα-helixtrans-60.1-41.9175.400000113.1T205 I206 A207 R212 L213T205-G209 PolarHBondContact O-N 2.81Å; T205-G209 VanDerWaalsContact O-N 3.08Å; I206-G209 PolarHBondContact O-N 2.9Å; I206-G209 VanDerWaalsContact O-N 3.13Å; A207-G209 PolarHBondContact O-N 3.09Å; G209-R212 WeakPolarHBondContact O-CB 3.29Å; G209-R212 PolarHBondContact O-N 2.83Å; G209-L213 WeakPolarHBondContact O-CG 3.36Å; G209-L213 PolarHBondContact O-N 2.78Å
210L97.8Very high95.3Very high0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-63.2-42.3176-63.9172.2000112.3M202 I206 A207 Y208 R212 L213 C214 I295 V334 I358 A367M202-L210 HydrophobicContact CE-CD1 3.7Å; M202-L210 HydrophobicContact SD-CD1 3.53Å; M202-L210 VanDerWaalsContact SD-CD1 3.53Å; I206-L210 HydrophobicContact CG2-CD1 4.38Å; I206-L210 HydrophobicContact CG2-CG 4.49Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.78Å; A207-L210 PolarHBondContact O-N 2.68Å; Y208-L210 PolarHBondContact O-N 2.87Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-L213 WeakPolarHBondContact O-CB 3.28Å; L210-L213 PolarHBondContact O-N 3.38Å; L210-C214 PolarHBondContact O-N 3.24Å; L210-C214 PolarHBondContact O-SG 3.21Å; L210-I295 HydrophobicContact CB-CG2 4.18Å; L210-V334 HydrophobicContact CD1-CG2 3.65Å; L210-V334 HydrophobicContact CD2-CG2 3.67Å; L210-V334 HydrophobicContact CG-CG2 4.31Å; L210-I358 HydrophobicContact CD2-CD1 3.6Å; L210-A367 HydrophobicContact CD2-CB 3.65Å
211L98.1Very high96.2Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-64-41.6177.4-67.1160.5000111.2A207 Y208 L213 C214 L216 I232 E235 A236 W240 I295A207-L211 WeakPolarHBondContact O-CD1 3.41Å; A207-L211 WeakPolarHBondContact O-CG 3.5Å; A207-L211 PolarHBondContact O-N 2.7Å; Y208-L211 PolarHBondContact O-N 3.18Å; L211-L213 PolarHBondContact O-N 3.43Å; L211-C214 WeakPolarHBondContact O-CB 3.29Å; L211-C214 PolarHBondContact O-N 3.43Å; L211-C214 VanDerWaalsContact O-N 3.08Å; L211-L216 HydrophobicContact CB-CD1 4.46Å; L211-L216 HydrophobicContact CD2-CD1 3.9Å; L211-I232 HydrophobicContact CD2-CG2 4.11Å; L211-E235 HydrophobicContact CD1-CB 4.08Å; L211-E235 HydrophobicContact CD1-CG 4.05Å; L211-A236 HydrophobicContact CD1-CB 3.66Å; L211-A236 HydrophobicContact CD2-CB 3.55Å; L211-A236 HydrophobicContact CG-CB 4.26Å; L211-W240 HydrophobicContact CB-CH2 3.68Å; L211-W240 HydrophobicContact CB-CZ3 3.56Å; L211-W240 HydrophobicContact CD1-CZ3 3.92Å; L211-W240 HydrophobicContact CG-CZ3 4.25Å; L211-I295 HydrophobicContact CD2-CD1 4.09Å; L211-I295 HydrophobicContact CD2-CG1 4.31Å
212R97.4Very high96.8Very high21 Ų2134.8 Ų34.88%0.07917%0.168CC..Hα-helixtrans-59.2-43.1173.4-83.4-76.1-44.6-62.3-24.2112.8T19 E22 Y208 G209 L210 C214 K215 W240T19-R212 VanDerWaalsContact CA-NH2 3.26Å; T19-R212 HydrophobicContact CG2-CB 4.26Å; T19-R212 PolarHBondContact O-NH1 3.32Å; T19-R212 PolarHBondContact O-NH2 3.07Å; E22-R212 IonicContact OE2-CZ 3.67Å; E22-R212 IonicContact OE2-NH2 3.86Å; E22-R212 PolarHBondContact OE2-NH2 2.86Å; Y208-R212 HydrophobicContact CD1-CG 4.23Å; Y208-R212 HydrophobicContact CE1-CG 3.88Å; Y208-R212 HydrophobicContact CE2-CG 4.44Å; Y208-R212 WeakPolarHBondContact O-CB 3.25Å; Y208-R212 WeakPolarHBondContact O-CG 3.42Å; Y208-R212 PolarHBondContact O-N 3.49Å; G209-R212 WeakPolarHBondContact O-CB 3.29Å; G209-R212 PolarHBondContact O-N 2.83Å; L210-R212 VanDerWaalsContact C-N 3.34Å; R212-C214 PolarHBondContact O-N 2.83Å; R212-K215 PolarHBondContact O-N 3.32Å; R212-K215 VanDerWaalsContact O-N 3.09Å; R212-W240 HydrophobicContact CG-CH2 4.41Å
213L97.1Very high97.1Very high18 Ų1833.9 Ų33.99%0.09416%0.164CC..Hα-helixtrans-59.2-28.5174.7-69.5176.7000112.8L16 T19 G209 L210 L211 K215 Y356L16-L213 HydrophobicContact CD2-CD1 4.04Å; T19-L213 HydrophobicContact CG2-CD2 3.52Å; T19-L213 HydrophobicContact CG2-CG 3.83Å; G209-L213 WeakPolarHBondContact O-CG 3.36Å; G209-L213 PolarHBondContact O-N 2.78Å; L210-L213 WeakPolarHBondContact O-CB 3.28Å; L210-L213 PolarHBondContact O-N 3.38Å; L211-L213 PolarHBondContact O-N 3.43Å; L213-K215 VanDerWaalsContact C-N 3.32Å; L213-Y356 HydrophobicContact CD1-CD1 4.47Å; L213-Y356 HydrophobicContact CD1-CD2 3.71Å; L213-Y356 HydrophobicContact CD1-CE2 3.97Å; L213-Y356 HydrophobicContact CD1-CG 3.99Å; L213-Y356 HydrophobicContact CD2-CD1 4.43Å; L213-Y356 HydrophobicContact CD2-CD2 4.31Å; L213-Y356 HydrophobicContact CD2-CE1 3.91Å; L213-Y356 HydrophobicContact CD2-CE2 3.77Å; L213-Y356 HydrophobicContact CG-CE2 4.43Å
214C97.2Very high97.4Very high1 Ų129.5 Ų29.51%0.00715%0.145CC..THydrogen-bonded Turntrans-81.2-8.5-180-63.60000114.2L210 L211 R212 L216 I295 R330 C332L210-C214 PolarHBondContact O-N 3.24Å; L210-C214 PolarHBondContact O-SG 3.21Å; L211-C214 WeakPolarHBondContact O-CB 3.29Å; L211-C214 PolarHBondContact O-N 3.43Å; L211-C214 VanDerWaalsContact O-N 3.08Å; R212-C214 PolarHBondContact O-N 2.83Å; C214-L216 VanDerWaalsContact C-N 3.34Å; C214-L216 HydrophobicContact CB-CD2 3.78Å; C214-L216 HydrophobicContact CB-CG 4.45Å; C214-L216 PolarHBondContact O-N 2.8Å; C214-I295 HydrophobicContact CB-CD1 4.39Å; C214-I295 HydrophobicContact CB-CG1 4.29Å; C214-I295 WeakPolarHBondContact SG-CG1 3.39Å; C214-R330 WeakPolarHBondContact O-CD 3.37Å; C214-R330 PolarHBondContact O-NE 3.41Å; C214-C332 WeakPolarHBondContact SG-CB 3.49Å
215K96.3Very high97.5Very high142 Ų14229.3 Ų29.362%0.61714%0.143SC*.THydrogen-bonded Turntrans49.851.7178.5-57.5-172174.8-163.20112.7R212 L213 Q217 R330R212-K215 PolarHBondContact O-N 3.32Å; R212-K215 VanDerWaalsContact O-N 3.09Å; L213-K215 VanDerWaalsContact C-N 3.32Å; K215-Q217 PolarHBondContact O-NE2 2.86Å; K215-R330 PolarHBondContact O-NH2 2.79Å
216L97Very high97.5Very high10 Ų1030.6 Ų30.65%0.05215%0.149CC..  trans-55.5141.4-178.7-57.5-168.4000111.5L211 C214 I222 W240 C293 I295L211-L216 HydrophobicContact CB-CD1 4.46Å; L211-L216 HydrophobicContact CD2-CD1 3.9Å; C214-L216 VanDerWaalsContact C-N 3.34Å; C214-L216 HydrophobicContact CB-CD2 3.78Å; C214-L216 HydrophobicContact CB-CG 4.45Å; C214-L216 PolarHBondContact O-N 2.8Å; L216-I222 HydrophobicContact CD1-CD1 4.24Å; L216-I222 HydrophobicContact CD1-CG1 4.36Å; L216-I222 HydrophobicContact CD2-CD1 3.7Å; L216-I222 HydrophobicContact CG-CD1 4.46Å; L216-W240 HydrophobicContact CB-CD2 4.22Å; L216-W240 HydrophobicContact CB-CG 4.25Å; L216-W240 HydrophobicContact CD1-CD2 4Å; L216-W240 HydrophobicContact CD1-CE3 3.94Å; L216-W240 HydrophobicContact CD1-CG 4.42Å; L216-W240 HydrophobicContact CD1-CZ3 4.39Å; L216-C293 HydrophobicContact CD2-CB 3.91Å; L216-I295 HydrophobicContact CD2-CD1 4.32Å
217Q96.5Very high97.4Very high112 Ų11230.7 Ų30.752%0.52315%0.151SC..  trans-113.8157175.5-55.2-60-61.900109.9K215 E220 C243K215-Q217 PolarHBondContact O-NE2 2.86Å; Q217-E220 HydrophobicContact CB-CG 4.03Å; Q217-E220 PolarHBondContact N-OE2 3.41Å; Q217-E220 WeakPolarHBondContact O-CB 3.35Å; Q217-E220 WeakPolarHBondContact O-CG 3.36Å; Q217-C243 PolarHBondContact O-SG 2.85Å
218D95Very high97.3Very high89 Ų8931.5 Ų31.548%0.47616%0.159SC..THydrogen-bonded Turntrans-61146.9176.1-85.99.1000111.9E220 N242D218-E220 PolarHBondContact O-N 2.83Å; D218-N242 HydrophobicContact CB-CB 4.23Å; D218-N242 PolarHBondContact OD2-ND2 3.07Å
219N96.8Very high97.1Very high124 Ų12431.3 Ų31.366%0.66316%0.159SC*.THydrogen-bonded Turntrans64.219.8179.5-46.2-62.9000115N242N219-N242 WeakPolarHBondContact CA-O 3.41Å
220E97.9Very high97.1Very high10 Ų1031.2 Ų31.25%0.04716%0.159CC..  trans-81.4152.7171.7-72.4-171.5147.600112.6Q217 D218 I222 C243 L244 D292 R326 R330Q217-E220 HydrophobicContact CB-CG 4.03Å; Q217-E220 PolarHBondContact N-OE2 3.41Å; Q217-E220 WeakPolarHBondContact O-CB 3.35Å; Q217-E220 WeakPolarHBondContact O-CG 3.36Å; D218-E220 PolarHBondContact O-N 2.83Å; E220-I222 HydrophobicContact CB-CD1 3.73Å; E220-C243 WeakPolarHBondContact O-CA 3.35Å; E220-C243 VanDerWaalsContact O-CB 3.22Å; E220-C243 WeakPolarHBondContact O-CB 3.35Å; E220-L244 PolarHBondContact O-N 2.8Å; E220-D292 WeakPolarHBondContact CA-OD2 3.43Å; E220-D292 HydrophobicContact CB-CB 3.84Å; E220-D292 HydrophobicContact CG-CB 3.9Å; E220-R326 IonicContact OE1-NH2 3.48Å; E220-R330 IonicContact OE1-CZ 2.8Å; E220-R330 IonicContact OE1-NH1 3.82Å; E220-R330 IonicContact OE1-NH2 3.63Å; E220-R330 PolarHBondContact OE1-NH2 2.9Å; E220-R330 IonicContact OE2-NH2 2.8Å; E220-R330 PolarHBondContact OE2-NH2 2.89Å
221I98.5Very high97Very high51 Ų5131.7 Ų31.726%0.26216%0.162SC..EExtended strand (participates in β ladder)trans-92.9113.9168.2-56.3179.1000108.2L244 L246 T290 V291 D292 C293I221-L244 WeakPolarHBondContact CA-O 3.33Å; I221-L244 HydrophobicContact CD1-CD2 4.48Å; I221-L244 HydrophobicContact CG1-CB 4.39Å; I221-L244 HydrophobicContact CG1-CD2 4.27Å; I221-L244 HydrophobicContact CG2-CD2 4.5Å; I221-L246 HydrophobicContact CG2-CD1 3.89Å; I221-L246 HydrophobicContact CG2-CG 4.18Å; I221-T290 WeakPolarHBondContact CD1-O 3.38Å; I221-V291 HydrophobicContact CG2-CG2 4.37Å; I221-V291 WeakPolarHBondContact O-CG1 3.21Å; I221-D292 PolarHBondContact N-OD2 3.43Å; I221-D292 PolarHBondContact O-N 3.33Å; I221-C293 PolarHBondContact O-N 2.66Å
222I98.7Very high97Very high7 Ų732.1 Ų32.14%0.03616%0.164CC..EExtended strand (participates in β ladder)trans-110.4131.6-177-45.7-59.2000108.9L216 E220 C243 L244 Y245 L246 C293 I295L216-I222 HydrophobicContact CD1-CD1 4.24Å; L216-I222 HydrophobicContact CD1-CG1 4.36Å; L216-I222 HydrophobicContact CD2-CD1 3.7Å; L216-I222 HydrophobicContact CG-CD1 4.46Å; E220-I222 HydrophobicContact CB-CD1 3.73Å; I222-C243 HydrophobicContact CG1-CB 4.1Å; I222-L244 PolarHBondContact N-O 2.99Å; I222-Y245 HydrophobicContact CB-CD1 3.74Å; I222-Y245 HydrophobicContact CB-CE1 3.88Å; I222-Y245 HydrophobicContact CG1-CD1 4.21Å; I222-Y245 HydrophobicContact CG1-CE1 3.87Å; I222-Y245 HydrophobicContact CG2-CD1 4.21Å; I222-Y245 HydrophobicContact CG2-CE1 4.28Å; I222-Y245 CarbonylContact O-C 3.58Å; I222-Y245 WeakPolarHBondContact O-CA 3.19Å; I222-L246 PolarHBondContact O-N 2.87Å; I222-C293 CarbonylContact C-O 3.52Å; I222-C293 WeakPolarHBondContact CA-O 3.35Å; I222-C293 HydrophobicContact CD1-CB 3.71Å; I222-I295 HydrophobicContact CG2-CD1 3.63Å
223C98.7Very high97Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-121.5133-179.2-1740000112.7L246 V291 C293 I294 I295C223-L246 CarbonylContact C-O 3.52Å; C223-L246 WeakPolarHBondContact CA-O 3.45Å; C223-L246 HydrophobicContact CB-CB 4.31Å; C223-V291 HydrophobicContact CB-CG1 3.69Å; C223-V291 HydrophobicContact CB-CG2 4.19Å; C223-C293 PolarHBondContact N-O 2.9Å; C223-I294 HydrophobicContact CB-CG1 4.17Å; C223-I294 VanDerWaalsContact O-CA 3.27Å; C223-I294 WeakPolarHBondContact O-CA 3.43Å; C223-I295 PolarHBondContact O-N 3.27Å
224D98.6Very high97Very high5 Ų530.5 Ų30.53%0.02716%0.158CC..EExtended strand (participates in β ladder)trans-115.894.2165.1-173.4-5.4000109.3M226 C227 L246 A247 G248 I295 T296D224-M226 PolarHBondContact O-N 3.19Å; D224-M226 PolarHBondContact OD1-N 3.34Å; D224-C227 HydrophobicContact CB-CB 4.14Å; D224-C227 WeakPolarHBondContact OD2-CA 3.22Å; D224-L246 PolarHBondContact N-O 3.33Å; D224-A247 WeakPolarHBondContact O-CA 3.4Å; D224-G248 PolarHBondContact O-N 2.99Å; D224-I295 WeakPolarHBondContact CA-O 3.3Å; D224-I295 WeakPolarHBondContact CB-O 3.41Å; D224-I295 VanDerWaalsContact CG-O 3.27Å; D224-T296 VanDerWaalsContact OD1-CB 3.26Å; D224-T296 WeakPolarHBondContact OD1-CB 3.35Å; D224-T296 PolarHBondContact OD1-OG1 3.31Å
225P98.1Very high97Very high1 Ų130.5 Ų30.51%0.00616%0.157CC..THydrogen-bonded Turntrans-70.9-12.4-174.328.7-39.2000114.9G248 W279 A281 L284 I294 T296P225-G248 CarbonylContact C-O 3.59Å; P225-W279 PolarHBondContact O-NE1 2.87Å; P225-A281 HydrophobicContact CB-CB 4.12Å; P225-L284 HydrophobicContact CB-CD1 4.25Å; P225-L284 HydrophobicContact CB-CD2 3.75Å; P225-I294 HydrophobicContact CG-CG2 4.09Å; P225-T296 HydrophobicContact CG-CG2 4.01Å
226M96.4Very high97Very high30 Ų3023.8 Ų23.815%0.14813%0.128CC..THydrogen-bonded Turntrans-138.162.6178.4-64-173-68.900110D224 G228 G248 A281 T296 L298 V317D224-M226 PolarHBondContact O-N 3.19Å; D224-M226 PolarHBondContact OD1-N 3.34Å; M226-G228 VanDerWaalsContact C-N 3.28Å; M226-G228 PolarHBondContact O-N 3.2Å; M226-G248 CarbonylContact C-O 3.58Å; M226-G248 VanDerWaalsContact CA-O 3.3Å; M226-G248 WeakPolarHBondContact CA-O 3.39Å; M226-G248 PolarHBondContact N-O 3.03Å; M226-A281 HydrophobicContact CG-CB 3.55Å; M226-A281 HydrophobicContact SD-CB 4Å; M226-T296 HydrophobicContact CE-CG2 4.38Å; M226-T296 PolarHBondContact N-OG1 2.97Å; M226-L298 HydrophobicContact CE-CB 4.15Å; M226-L298 HydrophobicContact CE-CD2 3.12Å; M226-L298 HydrophobicContact CE-CG 4.19Å; M226-V317 HydrophobicContact CE-CG1 4.36Å; M226-V317 HydrophobicContact CE-CG2 4.44Å
227C96.2Very high97Very high9 Ų923.4 Ų23.46%0.06113%0.126CC..  trans-72.1-15.4-162.870.30000115.2D224 S229 G230 A247 G248D224-C227 HydrophobicContact CB-CB 4.14Å; D224-C227 WeakPolarHBondContact OD2-CA 3.22Å; C227-S229 PolarHBondContact O-N 3.08Å; C227-G230 WeakPolarHBondContact O-CA 3.45Å; C227-G230 PolarHBondContact O-N 3.03Å; C227-A247 HydrophobicContact CB-CB 3.93Å; C227-G248 PolarHBondContact N-O 2.89Å
228G94.8Very high96.9Very high17 Ų1719.1 Ų19.118%0.17511%0.107CC..THydrogen-bonded Turntrans55.3-127-174.300000111.1M226 G230 D249 N254M226-G228 VanDerWaalsContact C-N 3.28Å; M226-G228 PolarHBondContact O-N 3.2Å; G228-G230 PolarHBondContact O-N 2.86Å; G228-D249 VanDerWaalsContact CA-OD2 3.32Å; G228-D249 WeakPolarHBondContact CA-OD2 3.32Å; G228-D249 PolarHBondContact N-OD2 2.67Å; G228-N254 CarbonylContact O-C 3.1Å; G228-N254 VanDerWaalsContact O-O 3.09Å
229S95.2Very high96.8Very high9 Ų916.8 Ų16.86%0.06310%0.098CC..THydrogen-bonded Turntrans-78.20.117460.40000114.5C227 C258 N261C227-S229 PolarHBondContact O-N 3.08Å; S229-C258 WeakPolarHBondContact O-CA 3.2Å; S229-N261 PolarHBondContact O-ND2 3.39Å
230G96.3Very high96.8Very high0 Ų012.8 Ų12.80%07%0.073CC..  trans92.316.4171.800000116.4C227 G228 I232 V233 L234C227-G230 WeakPolarHBondContact O-CA 3.45Å; C227-G230 PolarHBondContact O-N 3.03Å; G228-G230 PolarHBondContact O-N 2.86Å; G230-I232 VanDerWaalsContact C-N 3.29Å; G230-I232 PolarHBondContact O-N 2.8Å; G230-V233 WeakPolarHBondContact O-CG1 3.4Å; G230-V233 PolarHBondContact O-N 2.75Å; G230-L234 VanDerWaalsContact O-CB 3.29Å; G230-L234 WeakPolarHBondContact O-CB 3.38Å; G230-L234 VanDerWaalsContact O-CD1 3.25Å; G230-L234 WeakPolarHBondContact O-CD1 3.3Å; G230-L234 WeakPolarHBondContact O-CG 3.5Å; G230-L234 PolarHBondContact O-N 2.91Å
231S96.4Very high96.6Very high9 Ų914.6 Ų14.66%0.0639%0.087CC..Hα-helixtrans-51.6-45.1-175.9-60.30000113.6L194 M202 E235L194-S231 WeakPolarHBondContact CD1-OG 3.36Å; M202-S231 VanDerWaalsContact O-CB 3.29Å; M202-S231 WeakPolarHBondContact O-CB 3.38Å; M202-S231 PolarHBondContact O-OG 3.23Å; S231-E235 VanDerWaalsContact O-CB 3.28Å; S231-E235 WeakPolarHBondContact O-CB 3.35Å; S231-E235 PolarHBondContact O-N 3.46Å
232I97.3Very high96.5Very high10 Ų1014.6 Ų14.65%0.0519%0.088CC..Hα-helixtrans-67.8-53.6-179.1-65.5165.2000110.2M202 A207 L211 G230 L234 E235 A236 I295 D297M202-I232 HydrophobicContact CE-CD1 4.31Å; M202-I232 HydrophobicContact SD-CD1 4.28Å; M202-I232 HydrophobicContact SD-CG1 4.04Å; A207-I232 HydrophobicContact CB-CG1 4.15Å; L211-I232 HydrophobicContact CD2-CG2 4.11Å; G230-I232 VanDerWaalsContact C-N 3.29Å; G230-I232 PolarHBondContact O-N 2.8Å; I232-L234 PolarHBondContact O-N 2.92Å; I232-E235 PolarHBondContact O-N 3.34Å; I232-A236 WeakPolarHBondContact O-CB 3.28Å; I232-A236 PolarHBondContact O-N 3.28Å; I232-I295 HydrophobicContact CD1-CG2 4.29Å; I232-I295 HydrophobicContact CG2-CB 3.98Å; I232-I295 HydrophobicContact CG2-CG2 3.77Å; I232-D297 HydrophobicContact CD1-CB 4.31Å
233V97.6Very high96.4Very high5 Ų514.3 Ų14.33%0.039%0.086CC..Hα-helixtrans-64.8-37.3-176.471.70000113.1G230 A236 A237 Y245 A247 I274G230-V233 WeakPolarHBondContact O-CG1 3.4Å; G230-V233 PolarHBondContact O-N 2.75Å; V233-A236 PolarHBondContact O-N 2.85Å; V233-A237 WeakPolarHBondContact O-CB 3.49Å; V233-A237 PolarHBondContact O-N 2.82Å; V233-Y245 HydrophobicContact CG2-CD1 4.04Å; V233-Y245 HydrophobicContact CG2-CG 3.97Å; V233-A247 HydrophobicContact CB-CB 4.15Å; V233-A247 HydrophobicContact CG1-CB 3.95Å; V233-A247 HydrophobicContact CG2-CB 4.03Å; V233-I274 HydrophobicContact CG2-CD1 4.16Å; V233-I274 HydrophobicContact CG2-CG1 4.12Å; V233-I274 HydrophobicContact CG2-CG2 3.92Å
234L97.4Very high96.4Very high0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-67.6-44.2177.8-67.8161.8000111.4N193 L194 G230 I232 A236 N238 N261 I262 L265 I274N193-L234 HydrophobicContact CB-CB 4.11Å; L194-L234 HydrophobicContact CD2-CD1 3.65Å; G230-L234 VanDerWaalsContact O-CB 3.29Å; G230-L234 WeakPolarHBondContact O-CB 3.38Å; G230-L234 VanDerWaalsContact O-CD1 3.25Å; G230-L234 WeakPolarHBondContact O-CD1 3.3Å; G230-L234 WeakPolarHBondContact O-CG 3.5Å; G230-L234 PolarHBondContact O-N 2.91Å; I232-L234 PolarHBondContact O-N 2.92Å; L234-A236 VanDerWaalsContact C-N 3.3Å; L234-A236 PolarHBondContact O-N 3Å; L234-N238 WeakPolarHBondContact O-CB 3.39Å; L234-N238 PolarHBondContact O-N 3.24Å; L234-N261 HydrophobicContact CD1-CB 3.4Å; L234-N261 HydrophobicContact CD2-CB 4.22Å; L234-N261 HydrophobicContact CG-CB 4.43Å; L234-I262 HydrophobicContact CD2-CG1 3.91Å; L234-L265 HydrophobicContact CB-CD2 4.49Å; L234-L265 HydrophobicContact CD2-CB 4.15Å; L234-L265 HydrophobicContact CD2-CD2 3.84Å; L234-I274 HydrophobicContact CD2-CD1 4.24Å
235E97.1Very high96.4Very high0 Ų016 Ų160%010%0.095CC..Hα-helixtrans-64.8-39.1177.2-173.863.1-167.900111R57 R192 N193 A207 Y208 L211 S231 I232 N238 C239R57-E235 IonicContact CZ-OE1 3.04Å; R57-E235 VanDerWaalsContact CZ-OE1 3.31Å; R57-E235 IonicContact CZ-OE2 2.69Å; R57-E235 IonicContact NE-OE1 3.78Å; R57-E235 PolarHBondContact NE-OE1 3.42Å; R57-E235 IonicContact NE-OE2 2.81Å; R57-E235 VanDerWaalsContact NH2-CD 3.32Å; R57-E235 IonicContact NH2-OE1 2.67Å; R57-E235 PolarHBondContact NH2-OE1 2.95Å; R57-E235 VanDerWaalsContact NH2-OE1 3.09Å; R57-E235 IonicContact NH2-OE2 3.19Å; R57-E235 PolarHBondContact NH2-OE2 3.08Å; R192-E235 IonicContact CZ-OE1 3.71Å; R192-E235 IonicContact CZ-OE2 2.85Å; R192-E235 IonicContact NE-OE1 3.92Å; R192-E235 PolarHBondContact NE-OE1 3.13Å; R192-E235 IonicContact NE-OE2 3.65Å; R192-E235 PolarHBondContact NE-OE2 2.74Å; R192-E235 VanDerWaalsContact NH2-CD 3.32Å; R192-E235 IonicContact NH2-OE1 2.66Å; R192-E235 PolarHBondContact NH2-OE1 3.49Å; R192-E235 IonicContact NH2-OE2 2.87Å; N193-E235 PolarHBondContact ND2-OE2 2.85Å; A207-E235 HydrophobicContact CB-CB 4.09Å; A207-E235 HydrophobicContact CB-CG 4.29Å; Y208-E235 HydrophobicContact CD2-CG 4.33Å; L211-E235 HydrophobicContact CD1-CB 4.08Å; L211-E235 HydrophobicContact CD1-CG 4.05Å; S231-E235 VanDerWaalsContact O-CB 3.28Å; S231-E235 WeakPolarHBondContact O-CB 3.35Å; S231-E235 PolarHBondContact O-N 3.46Å; I232-E235 PolarHBondContact O-N 3.34Å; E235-N238 PolarHBondContact O-N 2.7Å; E235-C239 PolarHBondContact O-N 3.08Å; E235-C239 PolarHBondContact O-SG 2.88Å
236A97.1Very high96.4Very high1 Ų116.7 Ų16.71%0.00810%0.099CC..Hα-helixtrans-62.6-54.817600000111.4L211 I232 V233 L234 N238 C239 W240 Y245L211-A236 HydrophobicContact CD1-CB 3.66Å; L211-A236 HydrophobicContact CD2-CB 3.55Å; L211-A236 HydrophobicContact CG-CB 4.26Å; I232-A236 WeakPolarHBondContact O-CB 3.28Å; I232-A236 PolarHBondContact O-N 3.28Å; V233-A236 PolarHBondContact O-N 2.85Å; L234-A236 VanDerWaalsContact C-N 3.3Å; L234-A236 PolarHBondContact O-N 3Å; A236-N238 PolarHBondContact O-N 3.33Å; A236-N238 VanDerWaalsContact O-N 3.17Å; A236-C239 PolarHBondContact O-N 3.49Å; A236-W240 PolarHBondContact O-N 3.32Å; A236-Y245 HydrophobicContact CB-CD1 4.01Å; A236-Y245 HydrophobicContact CB-CE1 3.33Å; A236-Y245 PolarHBondContact O-OH 3.28Å
237A96.3Very high96.5Very high2 Ų215.3 Ų15.32%0.0179%0.092CC..Hα-helixtrans-60.5-28.8-179.500000113.3V233 Y245 L265 I274V233-A237 WeakPolarHBondContact O-CB 3.49Å; V233-A237 PolarHBondContact O-N 2.82Å; A237-Y245 VanDerWaalsContact CA-CZ 3.48Å; A237-Y245 HydrophobicContact CB-CD2 3.74Å; A237-Y245 HydrophobicContact CB-CE2 3.61Å; A237-Y245 HydrophobicContact CB-CG 4.39Å; A237-Y245 PolarHBondContact N-OH 3.33Å; A237-L265 HydrophobicContact CB-CD2 4.36Å; A237-I274 HydrophobicContact CB-CD1 3.65Å; A237-I274 HydrophobicContact CB-CG1 3.76Å
238N93.9Very high96.6Very high22 Ų2214.9 Ų14.912%0.1189%0.089CC..Hα-helixtrans-73.2-28.4176.5-168.856.8000113.5R57 L234 E235 A236 L265 K269R57-N238 PolarHBondContact NH1-ND2 3.2Å; R57-N238 PolarHBondContact NH2-ND2 2.94Å; L234-N238 WeakPolarHBondContact O-CB 3.39Å; L234-N238 PolarHBondContact O-N 3.24Å; E235-N238 PolarHBondContact O-N 2.7Å; A236-N238 PolarHBondContact O-N 3.33Å; A236-N238 VanDerWaalsContact O-N 3.17Å; N238-L265 HydrophobicContact CB-CD1 4.47Å; N238-K269 PolarHBondContact O-NZ 3.34Å; N238-K269 WeakPolarHBondContact OD1-CD 3.36Å; N238-K269 WeakPolarHBondContact OD1-CE 3.45Å; N238-K269 PolarHBondContact OD1-NZ 3.35Å
239C94.2Very high96.7Very high41 Ų4114.7 Ų14.728%0.2778%0.084SC..Hα-helixtrans-101.3-39-175-56.70000113.4R57 Y208 E235 A236R57-C239 WeakPolarHBondContact CD-SG 3.38Å; R57-C239 PolarHBondContact NE-SG 3.28Å; Y208-C239 HydrophobicContact CE2-CB 4.33Å; E235-C239 PolarHBondContact O-N 3.08Å; E235-C239 PolarHBondContact O-SG 2.88Å; A236-C239 PolarHBondContact O-N 3.49Å
240W95.8Very high96.7Very high39 Ų3919.3 Ų19.315%0.14811%0.106CC..  trans-113.762-178.7-64-89.4000111.1Y208 L211 R212 L216 A236 N242 C243 Y245Y208-W240 HydrophobicContact CD2-CH2 4.24Å; Y208-W240 HydrophobicContact CD2-CZ3 4.42Å; Y208-W240 AromaticContact CE2-CH2 3.94Å; Y208-W240 HydrophobicContact CE2-CH2 3.94Å; Y208-W240 HydrophobicContact CE2-CZ3 4.37Å; L211-W240 HydrophobicContact CB-CH2 3.68Å; L211-W240 HydrophobicContact CB-CZ3 3.56Å; L211-W240 HydrophobicContact CD1-CZ3 3.92Å; L211-W240 HydrophobicContact CG-CZ3 4.25Å; R212-W240 HydrophobicContact CG-CH2 4.41Å; L216-W240 HydrophobicContact CB-CD2 4.22Å; L216-W240 HydrophobicContact CB-CG 4.25Å; L216-W240 HydrophobicContact CD1-CD2 4Å; L216-W240 HydrophobicContact CD1-CE3 3.94Å; L216-W240 HydrophobicContact CD1-CG 4.42Å; L216-W240 HydrophobicContact CD1-CZ3 4.39Å; A236-W240 PolarHBondContact O-N 3.32Å; W240-N242 PolarHBondContact O-N 3.45Å; W240-C243 WeakPolarHBondContact O-CB 3.34Å; W240-C243 PolarHBondContact O-N 3.01Å; W240-Y245 WeakPolarHBondContact CB-OH 3.07Å; W240-Y245 PolarHBondContact O-OH 2.84Å
241S94.2Very high96.6Very high49 Ų4920.4 Ų20.434%0.34312%0.118SC..THydrogen-bonded Turntrans-59.8-12.6-170.965.40000116.3
242N95.6Very high96.6Very high51 Ų5125 Ų2527%0.27314%0.139SC..THydrogen-bonded Turntrans-85.8-8.1176.5-70-32.2000113.7D218 N219 W240 R271D218-N242 HydrophobicContact CB-CB 4.23Å; D218-N242 PolarHBondContact OD2-ND2 3.07Å; N219-N242 WeakPolarHBondContact CA-O 3.41Å; W240-N242 PolarHBondContact O-N 3.45Å; N242-R271 PolarHBondContact OD1-NH1 3.48Å
243C97.4Very high96.5Very high0 Ų032.2 Ų32.20%017%0.172CC..SBendtrans-83.6163.1178.4-62.40000112.6Q217 E220 I222 W240 Y245 N273Q217-C243 PolarHBondContact O-SG 2.85Å; E220-C243 WeakPolarHBondContact O-CA 3.35Å; E220-C243 VanDerWaalsContact O-CB 3.22Å; E220-C243 WeakPolarHBondContact O-CB 3.35Å; I222-C243 HydrophobicContact CG1-CB 4.1Å; W240-C243 WeakPolarHBondContact O-CB 3.34Å; W240-C243 PolarHBondContact O-N 3.01Å; C243-Y245 HydrophobicContact CB-CE1 4.21Å; C243-Y245 HydrophobicContact CB-CE2 3.89Å; C243-N273 WeakPolarHBondContact O-CB 3.4Å; C243-N273 PolarHBondContact O-ND2 2.8Å
244L98.2Very high96.4Very high40 Ų4034.5 Ų34.521%0.20918%0.184CC..EExtended strand (participates in β ladder)trans-101133.2165.7171.762.9000109.2E220 I221 I222 L246 N273 Q275E220-L244 PolarHBondContact O-N 2.8Å; I221-L244 WeakPolarHBondContact CA-O 3.33Å; I221-L244 HydrophobicContact CD1-CD2 4.48Å; I221-L244 HydrophobicContact CG1-CB 4.39Å; I221-L244 HydrophobicContact CG1-CD2 4.27Å; I221-L244 HydrophobicContact CG2-CD2 4.5Å; I222-L244 PolarHBondContact N-O 2.99Å; L244-L246 HydrophobicContact CD2-CD2 4.39Å; L244-L246 HydrophobicContact CG-CD2 4.34Å; L244-N273 WeakPolarHBondContact CA-ND2 3.48Å; L244-N273 WeakPolarHBondContact CD1-ND2 3.27Å; L244-N273 WeakPolarHBondContact CD1-OD1 3.25Å; L244-Q275 HydrophobicContact CD1-CG 4.3Å
245Y98.6Very high96.4Very high2 Ų235.5 Ų35.51%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-114.2126-179.9-58.8-81.9000111.6I222 V233 A236 A237 W240 C243 N273 I274 Q275I222-Y245 HydrophobicContact CB-CD1 3.74Å; I222-Y245 HydrophobicContact CB-CE1 3.88Å; I222-Y245 HydrophobicContact CG1-CD1 4.21Å; I222-Y245 HydrophobicContact CG1-CE1 3.87Å; I222-Y245 HydrophobicContact CG2-CD1 4.21Å; I222-Y245 HydrophobicContact CG2-CE1 4.28Å; I222-Y245 CarbonylContact O-C 3.58Å; I222-Y245 WeakPolarHBondContact O-CA 3.19Å; V233-Y245 HydrophobicContact CG2-CD1 4.04Å; V233-Y245 HydrophobicContact CG2-CG 3.97Å; A236-Y245 HydrophobicContact CB-CD1 4.01Å; A236-Y245 HydrophobicContact CB-CE1 3.33Å; A236-Y245 PolarHBondContact O-OH 3.28Å; A237-Y245 VanDerWaalsContact CA-CZ 3.48Å; A237-Y245 HydrophobicContact CB-CD2 3.74Å; A237-Y245 HydrophobicContact CB-CE2 3.61Å; A237-Y245 HydrophobicContact CB-CG 4.39Å; A237-Y245 PolarHBondContact N-OH 3.33Å; W240-Y245 WeakPolarHBondContact CB-OH 3.07Å; W240-Y245 PolarHBondContact O-OH 2.84Å; C243-Y245 HydrophobicContact CB-CE1 4.21Å; C243-Y245 HydrophobicContact CB-CE2 3.89Å; Y245-N273 WeakPolarHBondContact CD2-O 3.35Å; Y245-N273 PolarHBondContact N-O 3Å; Y245-I274 HydrophobicContact CD2-CG1 4.2Å; Y245-I274 HydrophobicContact CG-CG1 4.32Å; Y245-Q275 PolarHBondContact O-N 2.98Å
246L98.6Very high96.4Very high15 Ų1539.4 Ų39.48%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-107.7121.1170.1-51.1179.6000107.5I221 I222 C223 D224 L244 Q275 F277 W279 L286I221-L246 HydrophobicContact CG2-CD1 3.89Å; I221-L246 HydrophobicContact CG2-CG 4.18Å; I222-L246 PolarHBondContact O-N 2.87Å; C223-L246 CarbonylContact C-O 3.52Å; C223-L246 WeakPolarHBondContact CA-O 3.45Å; C223-L246 HydrophobicContact CB-CB 4.31Å; D224-L246 PolarHBondContact N-O 3.33Å; L244-L246 HydrophobicContact CD2-CD2 4.39Å; L244-L246 HydrophobicContact CG-CD2 4.34Å; L246-Q275 HydrophobicContact CD2-CB 4.07Å; L246-Q275 HydrophobicContact CD2-CG 4.47Å; L246-F277 HydrophobicContact CD2-CE2 4.12Å; L246-W279 HydrophobicContact CB-CH2 4.08Å; L246-L286 HydrophobicContact CD1-CD1 4.13Å; L246-L286 HydrophobicContact CD1-CD2 3.8Å
247A98.5Very high96.4Very high0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-129.4148.4177.400000109.7D224 C227 V233 I274 Q275 L276 F277 W279D224-A247 WeakPolarHBondContact O-CA 3.4Å; C227-A247 HydrophobicContact CB-CB 3.93Å; V233-A247 HydrophobicContact CB-CB 4.15Å; V233-A247 HydrophobicContact CG1-CB 3.95Å; V233-A247 HydrophobicContact CG2-CB 4.03Å; A247-I274 HydrophobicContact CB-CG2 4.49Å; A247-Q275 PolarHBondContact N-O 2.85Å; A247-L276 HydrophobicContact CB-CD1 4.09Å; A247-L276 CarbonylContact O-C 3.45Å; A247-L276 VanDerWaalsContact O-CA 3.31Å; A247-L276 WeakPolarHBondContact O-CA 3.22Å; A247-F277 PolarHBondContact O-N 2.8Å; A247-W279 VanDerWaalsContact C-CZ2 3.45Å
248G97.9Very high96.4Very high0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-167.9167.2169.400000113.3D224 P225 M226 C227 F277 W279D224-G248 PolarHBondContact O-N 2.99Å; P225-G248 CarbonylContact C-O 3.59Å; M226-G248 CarbonylContact C-O 3.58Å; M226-G248 VanDerWaalsContact CA-O 3.3Å; M226-G248 WeakPolarHBondContact CA-O 3.39Å; M226-G248 PolarHBondContact N-O 3.03Å; C227-G248 PolarHBondContact N-O 2.89Å; G248-F277 WeakPolarHBondContact CA-O 3.19Å; G248-W279 VanDerWaalsContact C-NE1 3.25Å; G248-W279 VanDerWaalsContact CA-CE2 3.42Å; G248-W279 VanDerWaalsContact CA-NE1 3.31Å; G248-W279 PolarHBondContact O-NE1 3.44Å
249D97.4Very high96.6Very high14 Ų1442.9 Ų42.98%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-148.9152.6-178.9-159.3-76.3000109G228 G251 N254 V255 F277 R278 W279G228-D249 VanDerWaalsContact CA-OD2 3.32Å; G228-D249 WeakPolarHBondContact CA-OD2 3.32Å; G228-D249 PolarHBondContact N-OD2 2.67Å; D249-G251 PolarHBondContact OD1-N 3.37Å; D249-N254 HydrophobicContact CB-CB 3.96Å; D249-N254 PolarHBondContact OD1-ND2 3.04Å; D249-N254 PolarHBondContact OD2-ND2 3.02Å; D249-V255 HydrophobicContact CB-CG2 3.99Å; D249-V255 WeakPolarHBondContact O-CG2 3.36Å; D249-F277 PolarHBondContact N-O 3.21Å; D249-R278 WeakPolarHBondContact O-CA 3.37Å; D249-W279 CarbonylContact C-O 3.12Å; D249-W279 PolarHBondContact O-N 2.87Å
250I95.8Very high96.7Very high105 Ų10547 Ų4754%0.53825%0.246SC..SBendtrans-75.2-30.6176.9-168.8163000111.6W279 D280I250-W279 WeakPolarHBondContact CA-O 3.43Å; I250-W279 PolarHBondContact N-O 2.97Å; I250-D280 HydrophobicContact CD1-CB 4.27Å
251G94Very high96.8Very high24 Ų2445.1 Ų45.125%0.24724%0.239CC..  trans-81.4116.3-177.600000111.9D249 Q253 N254 V255D249-G251 PolarHBondContact OD1-N 3.37Å; G251-Q253 PolarHBondContact O-N 3.2Å; G251-N254 WeakPolarHBondContact O-CB 3.33Å; G251-N254 PolarHBondContact O-N 3.26Å; G251-V255 PolarHBondContact O-N 3.08Å
252E96.1Very high96.9Very high106 Ų10643 Ų4350%0.49522%0.224SC..Hα-helixtrans-55.8-38.2178-174.8170.1173.900113.1N254 V255 N256 R278E252-N254 VanDerWaalsContact C-N 3.33Å; E252-N254 PolarHBondContact O-N 3.49Å; E252-V255 PolarHBondContact O-N 2.97Å; E252-N256 WeakPolarHBondContact O-CB 3.32Å; E252-N256 PolarHBondContact O-N 3.09Å; E252-N256 PolarHBondContact O-ND2 2.86Å; E252-R278 IonicContact OE2-CZ 3.53Å; E252-R278 IonicContact OE2-NH1 3.92Å; E252-R278 PolarHBondContact OE2-NH1 3.3Å; E252-R278 IonicContact OE2-NH2 3.48Å
253Q95Very high97Very high160 Ų16043.5 Ų43.575%0.74823%0.231SC*.Hα-helixtrans-62.3-39.5175.6-66.5179.9-7.600112.2G251 N256 M257G251-Q253 PolarHBondContact O-N 3.2Å; Q253-N256 PolarHBondContact O-N 2.66Å; Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 2.66Å
254N94.8Very high96.9Very high54 Ų5445.1 Ų45.129%0.28924%0.243SC..Hα-helixtrans-65.8-48.1177.2-69.4-24.2000110.9G228 D249 G251 E252 N256 M257 C258G228-N254 CarbonylContact O-C 3.1Å; G228-N254 VanDerWaalsContact O-O 3.09Å; D249-N254 HydrophobicContact CB-CB 3.96Å; D249-N254 PolarHBondContact OD1-ND2 3.04Å; D249-N254 PolarHBondContact OD2-ND2 3.02Å; G251-N254 WeakPolarHBondContact O-CB 3.33Å; G251-N254 PolarHBondContact O-N 3.26Å; E252-N254 VanDerWaalsContact C-N 3.33Å; E252-N254 PolarHBondContact O-N 3.49Å; N254-N256 VanDerWaalsContact C-N 3.28Å; N254-N256 PolarHBondContact O-N 3.33Å; N254-M257 PolarHBondContact O-N 3.31Å; N254-M257 VanDerWaalsContact O-N 3.16Å; N254-M257 WeakPolarHBondContact OD1-CE 3.38Å; N254-C258 WeakPolarHBondContact O-CB 3.31Å; N254-C258 PolarHBondContact O-N 3.3Å
255V97.1Very high96.7Very high21 Ų2143.6 Ų43.613%0.12724%0.235CC..Hα-helixtrans-56.7-43.6175.2178.20000110.6D249 G251 E252 C258 C259 L276 R278D249-V255 HydrophobicContact CB-CG2 3.99Å; D249-V255 WeakPolarHBondContact O-CG2 3.36Å; G251-V255 PolarHBondContact O-N 3.08Å; E252-V255 PolarHBondContact O-N 2.97Å; V255-C258 PolarHBondContact O-N 2.99Å; V255-C259 VanDerWaalsContact O-CB 3.31Å; V255-C259 WeakPolarHBondContact O-CB 3.41Å; V255-C259 PolarHBondContact O-N 3.44Å; V255-L276 HydrophobicContact CG1-CD2 3.86Å; V255-L276 HydrophobicContact CG1-CG 4.07Å; V255-L276 WeakPolarHBondContact O-CD2 3.09Å; V255-R278 HydrophobicContact CG2-CB 4.19Å; V255-R278 HydrophobicContact CG2-CG 4.44Å
256N97.3Very high96.6Very high82 Ų8249.8 Ų49.844%0.43926%0.258SS..Hα-helixtrans-64.1-41.7177.4-73-22.7000112.9E252 Q253 N254 C259 K260E252-N256 WeakPolarHBondContact O-CB 3.32Å; E252-N256 PolarHBondContact O-N 3.09Å; E252-N256 PolarHBondContact O-ND2 2.86Å; Q253-N256 PolarHBondContact O-N 2.66Å; N254-N256 VanDerWaalsContact C-N 3.28Å; N254-N256 PolarHBondContact O-N 3.33Å; N256-C259 PolarHBondContact O-N 2.9Å; N256-K260 WeakPolarHBondContact O-CG 3.47Å; N256-K260 PolarHBondContact O-N 3.35Å
257M97Very high96.4Very high35 Ų3553.6 Ų53.617%0.17229%0.286CS..Hα-helixtrans-63.1-46.6173.6-71.4-173.2-69.900111.4Q253 N254 C259 K260 N261Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 2.66Å; N254-M257 PolarHBondContact O-N 3.31Å; N254-M257 VanDerWaalsContact O-N 3.16Å; N254-M257 WeakPolarHBondContact OD1-CE 3.38Å; M257-C259 VanDerWaalsContact C-N 3.33Å; M257-C259 PolarHBondContact O-N 3.39Å; M257-K260 PolarHBondContact O-N 3.07Å; M257-N261 PolarHBondContact O-N 3.02Å; M257-N261 VanDerWaalsContact O-N 3.08Å; M257-N261 PolarHBondContact O-ND2 3.17Å
258C97Very high96Very high0 Ų060.2 Ų60.20%032%0.32CS..Hα-helixtrans-59.4-44177.4-169.50000111.4S229 N254 V255 K260 N261 I262 L276S229-C258 WeakPolarHBondContact O-CA 3.2Å; N254-C258 WeakPolarHBondContact O-CB 3.31Å; N254-C258 PolarHBondContact O-N 3.3Å; V255-C258 PolarHBondContact O-N 2.99Å; C258-K260 VanDerWaalsContact C-N 3.35Å; C258-K260 PolarHBondContact O-N 3.23Å; C258-N261 PolarHBondContact O-N 2.82Å; C258-N261 VanDerWaalsContact O-N 3.13Å; C258-I262 VanDerWaalsContact O-CG1 3.29Å; C258-I262 WeakPolarHBondContact O-CG1 3.32Å; C258-I262 PolarHBondContact O-N 3.4Å; C258-L276 HydrophobicContact CB-CD1 4.15Å; C258-L276 HydrophobicContact CB-CD2 3.93Å
259C97.5Very high95.6Very high63 Ų6364.3 Ų64.343%0.42634%0.338SS..Hα-helixtrans-58-43.5176.7-174.30000112.5V255 N256 M257 I262 S263 L276V255-C259 VanDerWaalsContact O-CB 3.31Å; V255-C259 WeakPolarHBondContact O-CB 3.41Å; V255-C259 PolarHBondContact O-N 3.44Å; N256-C259 PolarHBondContact O-N 2.9Å; M257-C259 VanDerWaalsContact C-N 3.33Å; M257-C259 PolarHBondContact O-N 3.39Å; C259-I262 PolarHBondContact O-N 3.16Å; C259-S263 WeakPolarHBondContact O-CB 3.35Å; C259-S263 PolarHBondContact O-N 3.37Å; C259-S263 PolarHBondContact O-OG 2.81Å; C259-L276 HydrophobicContact CB-CD2 3.89Å
260K97.6Very high94.9Very high126 Ų12670.1 Ų70.155%0.54838%0.38SS..Hα-helixtrans-61.8-43.6174.9-70.1174.2-177.4179.40111.8V195 N256 M257 C258 S263 S264V195-K260 HydrophobicContact CG2-CB 4.47Å; N256-K260 WeakPolarHBondContact O-CG 3.47Å; N256-K260 PolarHBondContact O-N 3.35Å; M257-K260 PolarHBondContact O-N 3.07Å; C258-K260 VanDerWaalsContact C-N 3.35Å; C258-K260 PolarHBondContact O-N 3.23Å; K260-S263 PolarHBondContact O-N 2.89Å; K260-S264 PolarHBondContact O-N 3.48Å
261N97.3Very high94.5Very high0 Ų071.2 Ų71.20%038%0.377CS..Hα-helixtrans-67.6-40.9178.7-62.6-32.8000112.4L194 V195 S196 S229 L234 M257 C258 S263 S264 L265L194-N261 HydrophobicContact CD2-CB 4.43Å; L194-N261 VanDerWaalsContact CD2-ND2 3.33Å; L194-N261 WeakPolarHBondContact CD2-ND2 3.27Å; V195-N261 VanDerWaalsContact CG2-OD1 3.29Å; V195-N261 WeakPolarHBondContact CG2-OD1 3.43Å; V195-N261 PolarHBondContact N-OD1 3.34Å; S196-N261 PolarHBondContact N-OD1 2.81Å; S196-N261 PolarHBondContact O-ND2 3.05Å; S196-N261 PolarHBondContact O-OD1 3.25Å; S229-N261 PolarHBondContact O-ND2 3.39Å; L234-N261 HydrophobicContact CD1-CB 3.4Å; L234-N261 HydrophobicContact CD2-CB 4.22Å; L234-N261 HydrophobicContact CG-CB 4.43Å; M257-N261 PolarHBondContact O-N 3.02Å; M257-N261 VanDerWaalsContact O-N 3.08Å; M257-N261 PolarHBondContact O-ND2 3.17Å; C258-N261 PolarHBondContact O-N 2.82Å; C258-N261 VanDerWaalsContact O-N 3.13Å; N261-S263 VanDerWaalsContact C-N 3.3Å; N261-S263 PolarHBondContact O-N 2.86Å; N261-S264 PolarHBondContact O-N 3.16Å; N261-L265 PolarHBondContact O-N 2.94Å
262I97.1Very high94.4Very high6 Ų671 Ų713%0.03137%0.372CS..Hα-helixtrans-60.6-43.1173.9-68.1168000110.2L234 C258 C259 S264 L265 R266 I274 L276L234-I262 HydrophobicContact CD2-CG1 3.91Å; C258-I262 VanDerWaalsContact O-CG1 3.29Å; C258-I262 WeakPolarHBondContact O-CG1 3.32Å; C258-I262 PolarHBondContact O-N 3.4Å; C259-I262 PolarHBondContact O-N 3.16Å; I262-S264 VanDerWaalsContact C-N 3.34Å; I262-S264 PolarHBondContact O-N 3.23Å; I262-L265 PolarHBondContact O-N 3.27Å; I262-R266 HydrophobicContact CG2-CG 4.42Å; I262-R266 WeakPolarHBondContact O-CB 3.45Å; I262-R266 WeakPolarHBondContact O-CG 3.22Å; I262-R266 PolarHBondContact O-N 3.24Å; I262-I274 HydrophobicContact CD1-CB 4.32Å; I262-I274 HydrophobicContact CD1-CG2 3.63Å; I262-I274 HydrophobicContact CG1-CD1 4.04Å; I262-I274 HydrophobicContact CG1-CG2 4.26Å; I262-L276 HydrophobicContact CD1-CB 3.89Å; I262-L276 HydrophobicContact CD1-CD2 3.93Å; I262-L276 HydrophobicContact CD1-CG 4.35Å
263S96.3Very high94.4Very high61 Ų6169 Ų6943%0.42736%0.364SS..Hα-helixtrans-62.3-42.2177.6-57.70000111.5C259 K260 N261 L265 R266 S267C259-S263 WeakPolarHBondContact O-CB 3.35Å; C259-S263 PolarHBondContact O-N 3.37Å; C259-S263 PolarHBondContact O-OG 2.81Å; K260-S263 PolarHBondContact O-N 2.89Å; N261-S263 VanDerWaalsContact C-N 3.3Å; N261-S263 PolarHBondContact O-N 2.86Å; S263-L265 VanDerWaalsContact C-N 3.33Å; S263-L265 PolarHBondContact O-N 2.84Å; S263-R266 PolarHBondContact O-N 3.06Å; S263-S267 PolarHBondContact O-N 2.86Å; S263-S267 VanDerWaalsContact O-N 3.14Å
264S95.8Very high94.5Very high34 Ų3461.6 Ų61.624%0.23833%0.329CS..Hα-helixtrans-65.6-32.5173.8-174.40000113.3V195 K260 N261 I262 S267 L268V195-S264 WeakPolarHBondContact CG1-OG 3.45Å; K260-S264 PolarHBondContact O-N 3.48Å; N261-S264 PolarHBondContact O-N 3.16Å; I262-S264 VanDerWaalsContact C-N 3.34Å; I262-S264 PolarHBondContact O-N 3.23Å; S264-S267 PolarHBondContact O-OG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.17Å
265L94.9Very high94.7Very high8 Ų863.2 Ų63.24%0.04234%0.335CS..Hα-helixtrans-73.1-39175.6-176.161.6000111L234 A237 N238 N261 I262 S263 S267 L268 K269 V272 I274L234-L265 HydrophobicContact CB-CD2 4.49Å; L234-L265 HydrophobicContact CD2-CB 4.15Å; L234-L265 HydrophobicContact CD2-CD2 3.84Å; A237-L265 HydrophobicContact CB-CD2 4.36Å; N238-L265 HydrophobicContact CB-CD1 4.47Å; N261-L265 PolarHBondContact O-N 2.94Å; I262-L265 PolarHBondContact O-N 3.27Å; S263-L265 VanDerWaalsContact C-N 3.33Å; S263-L265 PolarHBondContact O-N 2.84Å; L265-S267 VanDerWaalsContact C-N 3.28Å; L265-S267 PolarHBondContact O-N 3.33Å; L265-L268 PolarHBondContact O-N 3.08Å; L265-L268 VanDerWaalsContact O-N 3.08Å; L265-K269 PolarHBondContact O-N 2.86Å; L265-V272 HydrophobicContact CD2-CG1 4.03Å; L265-V272 HydrophobicContact CD2-CG2 4.29Å; L265-V272 HydrophobicContact CG-CG1 4.4Å; L265-V272 HydrophobicContact CG-CG2 3.94Å; L265-I274 HydrophobicContact CD2-CD1 4.48Å
266R95.1Very high94.7Very high132 Ų13264.2 Ų64.250%0.49834%0.34SS..Hα-helixtrans-63.4-29176.3-78.8176177.3168.32113.3I262 S263 L268 K269 V272 I274I262-R266 HydrophobicContact CG2-CG 4.42Å; I262-R266 WeakPolarHBondContact O-CB 3.45Å; I262-R266 WeakPolarHBondContact O-CG 3.22Å; I262-R266 PolarHBondContact O-N 3.24Å; S263-R266 PolarHBondContact O-N 3.06Å; R266-L268 VanDerWaalsContact C-N 3.26Å; R266-L268 PolarHBondContact O-N 3.4Å; R266-K269 VanDerWaalsContact O-O 3.12Å; R266-V272 HydrophobicContact CG-CB 3.75Å; R266-V272 HydrophobicContact CG-CG1 4.06Å; R266-V272 HydrophobicContact CG-CG2 4.05Å; R266-I274 PolarHBondContact NH2-O 3.27Å
267S94.2Very high94.8Very high95 Ų9563.8 Ų63.866%0.66433%0.334SS*.THydrogen-bonded Turntrans-73.7-19.1174.164.80000113.3S263 S264 L265S263-S267 PolarHBondContact O-N 2.86Å; S263-S267 VanDerWaalsContact O-N 3.14Å; S264-S267 PolarHBondContact O-OG 3.3Å; L265-S267 VanDerWaalsContact C-N 3.28Å; L265-S267 PolarHBondContact O-N 3.33Å
268L91.3Very high94.8Very high138 Ų13869.5 Ų69.572%0.72335%0.354SS*.THydrogen-bonded Turntrans-101.6-21.6-178.1-63.4172.4000113.2S264 L265 R266S264-L268 WeakPolarHBondContact O-CG 3.17Å; L265-L268 PolarHBondContact O-N 3.08Å; L265-L268 VanDerWaalsContact O-N 3.08Å; R266-L268 VanDerWaalsContact C-N 3.26Å; R266-L268 PolarHBondContact O-N 3.4Å
269K89.3Confident94.9Very high86 Ų8670.3 Ų70.337%0.37436%0.357SS..  trans-133.4136.2-178.3-74.7-153.1167.9-174.30112.4N238 L265 R266 R271 V272N238-K269 PolarHBondContact O-NZ 3.34Å; N238-K269 WeakPolarHBondContact OD1-CD 3.36Å; N238-K269 WeakPolarHBondContact OD1-CE 3.45Å; N238-K269 PolarHBondContact OD1-NZ 3.35Å; L265-K269 PolarHBondContact O-N 2.86Å; R266-K269 VanDerWaalsContact O-O 3.12Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 2.74Å; K269-V272 HydrophobicContact CB-CG2 4.03Å
270S81.5Confident94.9Very high137 Ų13769.3 Ų69.396%0.95835%0.347SS*.SBendtrans-66-29179.8560000113.8
271R87.3Confident94.8Very high127 Ų12763.6 Ų63.648%0.47932%0.324SS..  trans-125.4102.5-176-165.2175.2-178.1-164.2-5.5111.1N242 K269N242-R271 PolarHBondContact OD1-NH1 3.48Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 2.74Å
272V92.7Very high94.8Very high21 Ų2167.2 Ų67.213%0.12734%0.339CS..  trans-13098175-179.10000108.8L265 R266 K269 I274L265-V272 HydrophobicContact CD2-CG1 4.03Å; L265-V272 HydrophobicContact CD2-CG2 4.29Å; L265-V272 HydrophobicContact CG-CG1 4.4Å; L265-V272 HydrophobicContact CG-CG2 3.94Å; R266-V272 HydrophobicContact CG-CB 3.75Å; R266-V272 HydrophobicContact CG-CG1 4.06Å; R266-V272 HydrophobicContact CG-CG2 4.05Å; K269-V272 HydrophobicContact CB-CG2 4.03Å; V272-I274 VanDerWaalsContact C-N 3.33Å; V272-I274 HydrophobicContact CG1-CB 4.44Å; V272-I274 HydrophobicContact CG1-CD1 3.68Å; V272-I274 HydrophobicContact CG1-CG1 3.82Å; V272-I274 PolarHBondContact O-N 3.12Å
273N95.9Very high94.7Very high63 Ų6373.5 Ų73.534%0.33737%0.368SS..  trans-93.457-173.6-164.618.5000112.3C243 L244 Y245C243-N273 WeakPolarHBondContact O-CB 3.4Å; C243-N273 PolarHBondContact O-ND2 2.8Å; L244-N273 WeakPolarHBondContact CA-ND2 3.48Å; L244-N273 WeakPolarHBondContact CD1-ND2 3.27Å; L244-N273 WeakPolarHBondContact CD1-OD1 3.25Å; Y245-N273 WeakPolarHBondContact CD2-O 3.35Å; Y245-N273 PolarHBondContact N-O 3Å
274I98.1Very high94.8Very high4 Ų470.9 Ų70.92%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-105124.4178.4-53.6170.8000109.9V233 L234 A237 Y245 A247 I262 L265 R266 V272V233-I274 HydrophobicContact CG2-CD1 4.16Å; V233-I274 HydrophobicContact CG2-CG1 4.12Å; V233-I274 HydrophobicContact CG2-CG2 3.92Å; L234-I274 HydrophobicContact CD2-CD1 4.24Å; A237-I274 HydrophobicContact CB-CD1 3.65Å; A237-I274 HydrophobicContact CB-CG1 3.76Å; Y245-I274 HydrophobicContact CD2-CG1 4.2Å; Y245-I274 HydrophobicContact CG-CG1 4.32Å; A247-I274 HydrophobicContact CB-CG2 4.49Å; I262-I274 HydrophobicContact CD1-CB 4.32Å; I262-I274 HydrophobicContact CD1-CG2 3.63Å; I262-I274 HydrophobicContact CG1-CD1 4.04Å; I262-I274 HydrophobicContact CG1-CG2 4.26Å; L265-I274 HydrophobicContact CD2-CD1 4.48Å; R266-I274 PolarHBondContact NH2-O 3.27Å; V272-I274 VanDerWaalsContact C-N 3.33Å; V272-I274 HydrophobicContact CG1-CB 4.44Å; V272-I274 HydrophobicContact CG1-CD1 3.68Å; V272-I274 HydrophobicContact CG1-CG1 3.82Å; V272-I274 PolarHBondContact O-N 3.12Å
275Q98Very high94.9Very high88 Ų8873.8 Ų73.841%0.41137%0.367SS..EExtended strand (participates in β ladder)trans-104119.6166.2-59-173.745.700108.7L244 Y245 L246 A247 F277L244-Q275 HydrophobicContact CD1-CG 4.3Å; Y245-Q275 PolarHBondContact O-N 2.98Å; L246-Q275 HydrophobicContact CD2-CB 4.07Å; L246-Q275 HydrophobicContact CD2-CG 4.47Å; A247-Q275 PolarHBondContact N-O 2.85Å; Q275-F277 HydrophobicContact CB-CE2 3.53Å; Q275-F277 HydrophobicContact CB-CZ 3.71Å
276L98.5Very high95Very high43 Ų4374.8 Ų74.823%0.22537%0.373CS..EExtended strand (participates in β ladder)trans-107.1132.1-177.7179.566.1000110A247 V255 C258 C259 I262A247-L276 HydrophobicContact CB-CD1 4.09Å; A247-L276 CarbonylContact O-C 3.45Å; A247-L276 VanDerWaalsContact O-CA 3.31Å; A247-L276 WeakPolarHBondContact O-CA 3.22Å; V255-L276 HydrophobicContact CG1-CD2 3.86Å; V255-L276 HydrophobicContact CG1-CG 4.07Å; V255-L276 WeakPolarHBondContact O-CD2 3.09Å; C258-L276 HydrophobicContact CB-CD1 4.15Å; C258-L276 HydrophobicContact CB-CD2 3.93Å; C259-L276 HydrophobicContact CB-CD2 3.89Å; I262-L276 HydrophobicContact CD1-CB 3.89Å; I262-L276 HydrophobicContact CD1-CD2 3.93Å; I262-L276 HydrophobicContact CD1-CG 4.35Å
277F98.1Very high95Very high73 Ų7378.4 Ų78.432%0.3239%0.386SS..EExtended strand (participates in β ladder)trans-127.4154.2-178.6-55.3-87000111L246 A247 G248 D249 Q275 W279L246-F277 HydrophobicContact CD2-CE2 4.12Å; A247-F277 PolarHBondContact O-N 2.8Å; G248-F277 WeakPolarHBondContact CA-O 3.19Å; D249-F277 PolarHBondContact N-O 3.21Å; Q275-F277 HydrophobicContact CB-CE2 3.53Å; Q275-F277 HydrophobicContact CB-CZ 3.71Å; F277-W279 HydrophobicContact CB-CD2 3.91Å; F277-W279 HydrophobicContact CB-CE3 3.41Å; F277-W279 VanDerWaalsContact CB-CE3 3.41Å; F277-W279 HydrophobicContact CB-CG 4.5Å; F277-W279 HydrophobicContact CB-CZ3 3.77Å; F277-W279 AromaticContact CD2-CE3 3.83Å; F277-W279 HydrophobicContact CD2-CE3 3.83Å; F277-W279 AromaticContact CD2-CH2 3.75Å; F277-W279 HydrophobicContact CD2-CH2 3.75Å; F277-W279 AromaticContact CD2-CZ3 3.22Å; F277-W279 HydrophobicContact CD2-CZ3 3.22Å; F277-W279 HydrophobicContact CE2-CH2 4.44Å; F277-W279 AromaticContact CE2-CZ3 3.95Å; F277-W279 HydrophobicContact CE2-CZ3 3.95Å; F277-W279 AromaticContact CG-CE3 3.74Å; F277-W279 HydrophobicContact CG-CE3 3.74Å; F277-W279 HydrophobicContact CG-CH2 4.47Å; F277-W279 AromaticContact CG-CZ3 3.64Å; F277-W279 HydrophobicContact CG-CZ3 3.64Å
278R98Very high95.1Very high155 Ų15576.9 Ų76.959%0.58537%0.371SS*.EExtended strand (participates in β ladder)trans-97.2115.5159.3-176.6-179.2174.3174.60.5107.3D249 E252 V255D249-R278 WeakPolarHBondContact O-CA 3.37Å; E252-R278 IonicContact OE2-CZ 3.53Å; E252-R278 IonicContact OE2-NH1 3.92Å; E252-R278 PolarHBondContact OE2-NH1 3.3Å; E252-R278 IonicContact OE2-NH2 3.48Å; V255-R278 HydrophobicContact CG2-CB 4.19Å; V255-R278 HydrophobicContact CG2-CG 4.44Å
279W97.9Very high95.3Very high16 Ų1672.6 Ų72.66%0.06136%0.355CS..  trans-146.5168.8-177.957.934.3000111.6P225 L246 A247 G248 D249 I250 F277 L284 P285P225-W279 PolarHBondContact O-NE1 2.87Å; L246-W279 HydrophobicContact CB-CH2 4.08Å; A247-W279 VanDerWaalsContact C-CZ2 3.45Å; G248-W279 VanDerWaalsContact C-NE1 3.25Å; G248-W279 VanDerWaalsContact CA-CE2 3.42Å; G248-W279 VanDerWaalsContact CA-NE1 3.31Å; G248-W279 PolarHBondContact O-NE1 3.44Å; D249-W279 CarbonylContact C-O 3.12Å; D249-W279 PolarHBondContact O-N 2.87Å; I250-W279 WeakPolarHBondContact CA-O 3.43Å; I250-W279 PolarHBondContact N-O 2.97Å; F277-W279 HydrophobicContact CB-CD2 3.91Å; F277-W279 HydrophobicContact CB-CE3 3.41Å; F277-W279 VanDerWaalsContact CB-CE3 3.41Å; F277-W279 HydrophobicContact CB-CG 4.5Å; F277-W279 HydrophobicContact CB-CZ3 3.77Å; F277-W279 AromaticContact CD2-CE3 3.83Å; F277-W279 HydrophobicContact CD2-CE3 3.83Å; F277-W279 AromaticContact CD2-CH2 3.75Å; F277-W279 HydrophobicContact CD2-CH2 3.75Å; F277-W279 AromaticContact CD2-CZ3 3.22Å; F277-W279 HydrophobicContact CD2-CZ3 3.22Å; F277-W279 HydrophobicContact CE2-CH2 4.44Å; F277-W279 AromaticContact CE2-CZ3 3.95Å; F277-W279 HydrophobicContact CE2-CZ3 3.95Å; F277-W279 AromaticContact CG-CE3 3.74Å; F277-W279 HydrophobicContact CG-CE3 3.74Å; F277-W279 HydrophobicContact CG-CH2 4.47Å; F277-W279 AromaticContact CG-CZ3 3.64Å; F277-W279 HydrophobicContact CG-CZ3 3.64Å; W279-L284 HydrophobicContact CD2-CD2 4.15Å; W279-L284 HydrophobicContact CG-CD2 4.39Å; W279-L284 HydrophobicContact CZ2-CD2 4.31Å; W279-P285 HydrophobicContact CB-CG 4.26Å; W279-P285 HydrophobicContact CD2-CG 4.45Å; W279-P285 HydrophobicContact CE3-CG 3.64Å; W279-P285 HydrophobicContact CZ3-CG 4.4Å
280D97Very high95.7Very high42 Ų4271 Ų7123%0.22535%0.352CS..  trans-98.1120.5167.7-170-20.5000108.8I250 K282 H283I250-D280 HydrophobicContact CD1-CB 4.27Å; D280-K282 PolarHBondContact O-N 2.91Å; D280-K282 VanDerWaalsContact O-N 3.13Å; D280-K282 WeakPolarHBondContact OD1-CB 3.26Å; D280-K282 WeakPolarHBondContact OD1-CE 3.44Å; D280-K282 WeakPolarHBondContact OD1-CG 3.18Å; D280-K282 PolarHBondContact OD1-N 3.42Å; D280-K282 WeakPolarHBondContact OD2-CE 3.34Å; D280-K282 IonicContact OD2-NZ 2.92Å; D280-K282 PolarHBondContact OD2-NZ 3.36Å; D280-K282 VanDerWaalsContact OD2-NZ 3.12Å; D280-H283 CarbonylContact O-C 3.57Å; D280-H283 PolarHBondContact O-N 2.89Å
281A97.2Very high96.5Very high6 Ų664.4 Ų64.45%0.0531%0.307CS..THydrogen-bonded Turntrans-64.4-14.8179.500000113.6P225 M226 H283 V317P225-A281 HydrophobicContact CB-CB 4.12Å; M226-A281 HydrophobicContact CG-CB 3.55Å; M226-A281 HydrophobicContact SD-CB 4Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-V317 HydrophobicContact CB-CG2 3.93Å
282K95.7Very high97Very high76 Ų7659.1 Ų59.133%0.3329%0.288SS..THydrogen-bonded Turntrans-75.2-16.6171.1-58.8175-71.1166.60112.7D280 L313 A316 E320D280-K282 PolarHBondContact O-N 2.91Å; D280-K282 VanDerWaalsContact O-N 3.13Å; D280-K282 WeakPolarHBondContact OD1-CB 3.26Å; D280-K282 WeakPolarHBondContact OD1-CE 3.44Å; D280-K282 WeakPolarHBondContact OD1-CG 3.18Å; D280-K282 PolarHBondContact OD1-N 3.42Å; D280-K282 WeakPolarHBondContact OD2-CE 3.34Å; D280-K282 IonicContact OD2-NZ 2.92Å; D280-K282 PolarHBondContact OD2-NZ 3.36Å; D280-K282 VanDerWaalsContact OD2-NZ 3.12Å; K282-L313 HydrophobicContact CD-CD1 4.04Å; K282-L313 HydrophobicContact CG-CD1 3.71Å; K282-A316 HydrophobicContact CB-CB 3.75Å; K282-A316 HydrophobicContact CD-CB 4.32Å; K282-A316 HydrophobicContact CG-CB 3.72Å; K282-E320 VanDerWaalsContact O-CG 3.25Å; K282-E320 WeakPolarHBondContact O-CG 3.44Å
283H96.8Very high97.3Very high138 Ų13858.1 Ų58.164%0.63928%0.282SS*.SBendtrans-146.573.1-178.3-58-60.3000109.9D280 A281D280-H283 CarbonylContact O-C 3.57Å; D280-H283 PolarHBondContact O-N 2.89Å; A281-H283 VanDerWaalsContact C-N 3.27Å
284L97.7Very high97.4Very high7 Ų755.1 Ų55.14%0.03727%0.266CS..  trans-65.2130.4-178.9-67173.7000110.5P225 W279 L286 E320 R323 V324P225-L284 HydrophobicContact CB-CD1 4.25Å; P225-L284 HydrophobicContact CB-CD2 3.75Å; W279-L284 HydrophobicContact CD2-CD2 4.15Å; W279-L284 HydrophobicContact CG-CD2 4.39Å; W279-L284 HydrophobicContact CZ2-CD2 4.31Å; L284-L286 HydrophobicContact CB-CG 4.33Å; L284-L286 PolarHBondContact O-N 2.87Å; L284-E320 WeakPolarHBondContact CA-OE2 3.38Å; L284-E320 VanDerWaalsContact CB-OE2 3.32Å; L284-E320 WeakPolarHBondContact CB-OE2 3.16Å; L284-E320 HydrophobicContact CD1-CB 4.12Å; L284-E320 HydrophobicContact CG-CB 4.33Å; L284-E320 PolarHBondContact N-OE2 2.95Å; L284-R323 PolarHBondContact O-NH2 2.89Å; L284-V324 HydrophobicContact CB-CG1 4.35Å; L284-V324 HydrophobicContact CD1-CG1 4.2Å; L284-V324 HydrophobicContact CD1-CG2 4.08Å
285P97.1Very high97.5Very high94 Ų9455 Ų5561%0.6127%0.265SS*.SBendtrans-77.541.2177.334.9-37.3000111.9W279W279-P285 HydrophobicContact CB-CG 4.26Å; W279-P285 HydrophobicContact CD2-CG 4.45Å; W279-P285 HydrophobicContact CE3-CG 3.64Å; W279-P285 HydrophobicContact CZ3-CG 4.4Å
286L97.3Very high97.5Very high29 Ų2950.8 Ų50.815%0.15225%0.245CC..SBendtrans-114.1149.1179.6-56.7179.7000109.6L246 L284 V291 R323 V324L246-L286 HydrophobicContact CD1-CD1 4.13Å; L246-L286 HydrophobicContact CD1-CD2 3.8Å; L284-L286 HydrophobicContact CB-CG 4.33Å; L284-L286 PolarHBondContact O-N 2.87Å; L286-V291 HydrophobicContact CD1-CG2 3.9Å; L286-R323 PolarHBondContact O-NH1 2.69Å; L286-R323 PolarHBondContact O-NH2 3.27Å; L286-V324 HydrophobicContact CB-CB 4.43Å; L286-V324 HydrophobicContact CB-CG1 3.95Å
287R96Very high97.3Very high209 Ų20950.5 Ų50.579%0.78924%0.244SC*.  trans-71.6164.7172.7-74.2176.7166.4170.1-4.1110.5T290R287-T290 HydrophobicContact CB-CG2 3.61Å; R287-T290 PolarHBondContact O-OG1 2.73Å
288N95.7Very high97.1Very high62 Ų6247.2 Ų47.233%0.33223%0.23SC..THydrogen-bonded Turntrans-65.3145.5176.1-57.7-6000110T290 R323N288-T290 VanDerWaalsContact C-N 3.3Å; N288-T290 WeakPolarHBondContact O-CG2 3.13Å; N288-T290 PolarHBondContact O-N 3.29Å; N288-R323 VanDerWaalsContact CA-O 3.32Å; N288-R323 WeakPolarHBondContact CA-O 2.99Å; N288-R323 HydrophobicContact CB-CG 4.38Å; N288-R323 VanDerWaalsContact OD1-CD 3.31Å; N288-R323 WeakPolarHBondContact OD1-CD 3.26Å; N288-R323 WeakPolarHBondContact OD1-CG 3.3Å; N288-R323 PolarHBondContact OD1-NH1 3.31Å
289A96.4Very high96.5Very high48 Ų4841.4 Ų41.440%0.39721%0.213SC..THydrogen-bonded Turntrans5435.4172.500000115.9R323 V324 R326A289-R323 PolarHBondContact N-O 3.22Å; A289-V324 CarbonylContact C-O 3.58Å; A289-V324 WeakPolarHBondContact CA-O 3.44Å; A289-V324 PolarHBondContact N-O 2.87Å; A289-R326 HydrophobicContact CB-CB 4.45Å
290T97Very high95.6Very high52 Ų5242.6 Ų42.632%0.31922%0.217SC..  trans-102.7-13-179.2580000115.3I221 R287 N288 V324I221-T290 WeakPolarHBondContact CD1-O 3.38Å; R287-T290 HydrophobicContact CB-CG2 3.61Å; R287-T290 PolarHBondContact O-OG1 2.73Å; N288-T290 VanDerWaalsContact C-N 3.3Å; N288-T290 WeakPolarHBondContact O-CG2 3.13Å; N288-T290 PolarHBondContact O-N 3.29Å; T290-V324 PolarHBondContact N-O 3.42Å
291V98.2Very high94.1Very high0 Ų041.2 Ų41.20%021%0.213CC..EExtended strand (participates in β ladder)trans-108.5137.5-175.2-178.80000110.1I221 C223 L286 C293 I294 V324 L325 R326I221-V291 HydrophobicContact CG2-CG2 4.37Å; I221-V291 WeakPolarHBondContact O-CG1 3.21Å; C223-V291 HydrophobicContact CB-CG1 3.69Å; C223-V291 HydrophobicContact CB-CG2 4.19Å; L286-V291 HydrophobicContact CD1-CG2 3.9Å; V291-C293 WeakPolarHBondContact CG1-O 3.43Å; V291-I294 HydrophobicContact CG1-CG1 3.91Å; V291-V324 HydrophobicContact CB-CG2 4.49Å; V291-V324 HydrophobicContact CG2-CB 4.44Å; V291-V324 HydrophobicContact CG2-CG2 4.27Å; V291-V324 PolarHBondContact N-O 3.29Å; V291-L325 HydrophobicContact CG1-CD2 4.37Å; V291-L325 WeakPolarHBondContact O-CA 3.18Å; V291-R326 PolarHBondContact O-N 2.78Å
292D98.6Very high92.3Very high15 Ų1548 Ų488%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-85-40.8178.8-60.4-63000111.8E220 I221 R326 G329 R330E220-D292 WeakPolarHBondContact CA-OD2 3.43Å; E220-D292 HydrophobicContact CB-CB 3.84Å; E220-D292 HydrophobicContact CG-CB 3.9Å; I221-D292 PolarHBondContact N-OD2 3.43Å; I221-D292 PolarHBondContact O-N 3.33Å; D292-R326 WeakPolarHBondContact OD1-CD 3.37Å; D292-R326 IonicContact OD1-CZ 3.34Å; D292-R326 IonicContact OD1-NE 2.82Å; D292-R326 PolarHBondContact OD1-NE 2.97Å; D292-R326 IonicContact OD1-NH1 2.76Å; D292-R326 PolarHBondContact OD1-NH1 2.99Å; D292-R326 IonicContact OD1-NH2 3.07Å; D292-R326 PolarHBondContact OD1-NH2 3.21Å; D292-R326 VanDerWaalsContact OD1-NH2 3.12Å; D292-G329 CarbonylContact O-C 3.53Å; D292-G329 WeakPolarHBondContact O-CA 3.44Å; D292-R330 PolarHBondContact O-N 3.13Å
293C98.6Very high90.5Very high0 Ų053.2 Ų53.20%026%0.259CS..EExtended strand (participates in β ladder)trans-142.3139.6179.6-161.70000113.7L216 I221 I222 C223 V291 I295 R330L216-C293 HydrophobicContact CD2-CB 3.91Å; I221-C293 PolarHBondContact O-N 2.66Å; I222-C293 CarbonylContact C-O 3.52Å; I222-C293 WeakPolarHBondContact CA-O 3.35Å; I222-C293 HydrophobicContact CD1-CB 3.71Å; C223-C293 PolarHBondContact N-O 2.9Å; V291-C293 WeakPolarHBondContact CG1-O 3.43Å; C293-I295 HydrophobicContact CB-CD1 4.19Å; C293-I295 WeakPolarHBondContact SG-CD1 3.38Å; C293-R330 CarbonylContact C-O 3.49Å; C293-R330 WeakPolarHBondContact CA-O 3.46Å; C293-R330 PolarHBondContact SG-O 3.41Å
294I98.8Very high88.6Confident0 Ų049.6 Ų49.60%025%0.249CC..EExtended strand (participates in β ladder)trans-116128.9171.5-64.9176.3000109.6C223 P225 V291 T296 V321 V324 L325 R330 A331 C332 L333C223-I294 HydrophobicContact CB-CG1 4.17Å; C223-I294 VanDerWaalsContact O-CA 3.27Å; C223-I294 WeakPolarHBondContact O-CA 3.43Å; P225-I294 HydrophobicContact CG-CG2 4.09Å; V291-I294 HydrophobicContact CG1-CG1 3.91Å; I294-T296 HydrophobicContact CG2-CG2 4.49Å; I294-V321 HydrophobicContact CD1-CB 4.15Å; I294-V321 HydrophobicContact CD1-CG1 4.11Å; I294-V321 HydrophobicContact CD1-CG2 3.87Å; I294-V321 HydrophobicContact CG2-CG2 4.26Å; I294-V324 HydrophobicContact CD1-CG2 3.59Å; I294-L325 HydrophobicContact CD1-CD1 4.31Å; I294-L325 HydrophobicContact CD1-CD2 4.14Å; I294-L325 HydrophobicContact CD1-CG 3.81Å; I294-L325 HydrophobicContact CG1-CD2 3.89Å; I294-L325 HydrophobicContact CG1-CG 4.12Å; I294-R330 PolarHBondContact N-O 3.37Å; I294-A331 HydrophobicContact CB-CB 4.34Å; I294-A331 CarbonylContact O-C 3.58Å; I294-A331 WeakPolarHBondContact O-CA 3.39Å; I294-C332 PolarHBondContact O-N 2.74Å; I294-L333 HydrophobicContact CG2-CD2 4.49Å
295I98.6Very high86.8Confident1 Ų151.6 Ų51.61%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-132.2122.8172.5-54.989.7000107.5L210 L211 C214 L216 I222 C223 D224 I232 C293 C332L210-I295 HydrophobicContact CB-CG2 4.18Å; L211-I295 HydrophobicContact CD2-CD1 4.09Å; L211-I295 HydrophobicContact CD2-CG1 4.31Å; C214-I295 HydrophobicContact CB-CD1 4.39Å; C214-I295 HydrophobicContact CB-CG1 4.29Å; C214-I295 WeakPolarHBondContact SG-CG1 3.39Å; L216-I295 HydrophobicContact CD2-CD1 4.32Å; I222-I295 HydrophobicContact CG2-CD1 3.63Å; C223-I295 PolarHBondContact O-N 3.27Å; D224-I295 WeakPolarHBondContact CA-O 3.3Å; D224-I295 WeakPolarHBondContact CB-O 3.41Å; D224-I295 VanDerWaalsContact CG-O 3.27Å; I232-I295 HydrophobicContact CD1-CG2 4.29Å; I232-I295 HydrophobicContact CG2-CB 3.98Å; I232-I295 HydrophobicContact CG2-CG2 3.77Å; C293-I295 HydrophobicContact CB-CD1 4.19Å; C293-I295 WeakPolarHBondContact SG-CD1 3.38Å; I295-C332 WeakPolarHBondContact CA-O 3.49Å; I295-C332 HydrophobicContact CG1-CB 4.21Å; I295-C332 HydrophobicContact CG2-CB 4.16Å
296T97.7Very high85.3Confident0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-154.4148.3-178.2-162.30000113D224 P225 M226 I294 L298 C332 L333 V334D224-T296 VanDerWaalsContact OD1-CB 3.26Å; D224-T296 WeakPolarHBondContact OD1-CB 3.35Å; D224-T296 PolarHBondContact OD1-OG1 3.31Å; P225-T296 HydrophobicContact CG-CG2 4.01Å; M226-T296 HydrophobicContact CE-CG2 4.38Å; M226-T296 PolarHBondContact N-OG1 2.97Å; I294-T296 HydrophobicContact CG2-CG2 4.49Å; T296-L298 HydrophobicContact CG2-CD2 3.71Å; T296-C332 PolarHBondContact N-O 3.04Å; T296-L333 HydrophobicContact CG2-CD2 3.73Å; T296-V334 PolarHBondContact O-N 2.74Å
297D94.8Very high83.8Confident38 Ų3854.3 Ų54.320%0.20328%0.278CS..EExtended strand (participates in β ladder)trans-99.6100.4175.4-167.925000109.7M202 I232 Y300 V334M202-D297 HydrophobicContact CE-CB 3.69Å; M202-D297 WeakPolarHBondContact CE-OD2 3.31Å; I232-D297 HydrophobicContact CD1-CB 4.31Å; D297-Y300 VanDerWaalsContact CG-OH 3.28Å; D297-Y300 WeakPolarHBondContact OD1-CE1 3.21Å; D297-Y300 VanDerWaalsContact OD1-CZ 3.26Å; D297-Y300 PolarHBondContact OD1-OH 2.91Å; D297-Y300 PolarHBondContact OD2-OH 2.94Å; D297-Y300 VanDerWaalsContact OD2-OH 3.13Å; D297-V334 HydrophobicContact CB-CB 4.48Å; D297-V334 WeakPolarHBondContact OD1-CG1 3.34Å
298L93.3Very high82.3Confident3 Ų353.5 Ų53.52%0.01628%0.275CS..  trans-67.5147.7-177.3-47.7177.7000110.4M226 T296 Y300 Y314 V317 L333 V334 T335 L341M226-L298 HydrophobicContact CE-CB 4.15Å; M226-L298 HydrophobicContact CE-CD2 3.12Å; M226-L298 HydrophobicContact CE-CG 4.19Å; T296-L298 HydrophobicContact CG2-CD2 3.71Å; L298-Y300 WeakPolarHBondContact O-CD1 3.29Å; L298-Y300 WeakPolarHBondContact O-CE1 3.28Å; L298-Y300 PolarHBondContact O-N 2.91Å; L298-Y314 HydrophobicContact CB-CD1 4.46Å; L298-Y314 HydrophobicContact CB-CE1 3.73Å; L298-Y314 HydrophobicContact CD1-CD1 3.96Å; L298-Y314 HydrophobicContact CD1-CE1 3.87Å; L298-Y314 HydrophobicContact CD1-CE2 4.42Å; L298-Y314 HydrophobicContact CD1-CG 4.31Å; L298-Y314 HydrophobicContact CG-CE1 4.4Å; L298-V317 HydrophobicContact CD2-CG1 4.16Å; L298-L333 HydrophobicContact CD1-CB 4.26Å; L298-V334 WeakPolarHBondContact CB-O 3.41Å; L298-V334 WeakPolarHBondContact CG-O 3.4Å; L298-V334 PolarHBondContact N-O 3.17Å; L298-T335 HydrophobicContact CD1-CG2 4.43Å; L298-L341 HydrophobicContact CD1-CD1 4.01Å; L298-L341 HydrophobicContact CD1-CD2 4.04Å
299P86.8Confident81.3Confident34 Ų3455.6 Ų55.622%0.22128%0.283CS..  trans-64.4129.4178.525.8-34.3000112.4G301 N310 L313 Y314P299-G301 VanDerWaalsContact C-N 3.32Å; P299-G301 PolarHBondContact O-N 3.45Å; P299-N310 PolarHBondContact O-ND2 3.03Å; P299-N310 PolarHBondContact O-OD1 2.91Å; P299-L313 HydrophobicContact CG-CD2 3.39Å; P299-Y314 PolarHBondContact O-OH 3.22Å
300Y79.1Confident80.6Confident40 Ų4053.4 Ų53.416%0.15726%0.264CS..  trans-77.4-7.4-170.6-60.6-13.4000115.9D297 L298 K302 N310 S336 P365D297-Y300 VanDerWaalsContact CG-OH 3.28Å; D297-Y300 WeakPolarHBondContact OD1-CE1 3.21Å; D297-Y300 VanDerWaalsContact OD1-CZ 3.26Å; D297-Y300 PolarHBondContact OD1-OH 2.91Å; D297-Y300 PolarHBondContact OD2-OH 2.94Å; D297-Y300 VanDerWaalsContact OD2-OH 3.13Å; L298-Y300 WeakPolarHBondContact O-CD1 3.29Å; L298-Y300 WeakPolarHBondContact O-CE1 3.28Å; L298-Y300 PolarHBondContact O-N 2.91Å; Y300-K302 PolarHBondContact O-N 2.75Å; Y300-N310 VanDerWaalsContact C-ND2 3.31Å; Y300-S336 VanDerWaalsContact CD1-N 3.3Å; Y300-S336 VanDerWaalsContact CD2-OG 3.26Å; Y300-S336 WeakPolarHBondContact CD2-OG 2.85Å; Y300-S336 WeakPolarHBondContact CE2-OG 3.35Å; Y300-P365 HydrophobicContact CE2-CB 4.41Å
301G64.9Low79.9Confident13 Ų1352.6 Ų52.613%0.13426%0.263CS..SBendtrans68.516.6-175.800000114.2P299 S304 G305 N310P299-G301 VanDerWaalsContact C-N 3.32Å; P299-G301 PolarHBondContact O-N 3.45Å; G301-S304 WeakPolarHBondContact CA-O 3.38Å; G301-S304 PolarHBondContact N-O 2.75Å; G301-G305 CarbonylContact C-O 3.53Å; G301-N310 WeakPolarHBondContact CA-ND2 3.18Å; G301-N310 PolarHBondContact N-ND2 2.94Å
302K58.9Low79.5Confident150 Ų15057.4 Ų57.465%0.65229%0.288SS*.SBendtrans-110.1-52.1176-73-172.4178.9-178.40112.7Y300Y300-K302 PolarHBondContact O-N 2.75Å
303R58.7Low79.2Confident185 Ų18558.3 Ų58.370%0.69829%0.293SS*.SBendtrans-106.3-18.3177.6-66.6-176.1-179.9173.10.2112.8T200T200-R303 HydrophobicContact CG2-CB 4.28Å
304S57.3Low79Confident61 Ų6158.3 Ų58.343%0.42729%0.293SS..SBendtrans-142.1128.5177.5-50.20000108.6G301G301-S304 WeakPolarHBondContact CA-O 3.38Å; G301-S304 PolarHBondContact N-O 2.75Å
305G58.3Low78.7Confident49 Ų4963 Ų6351%0.50532%0.315SS..SBendtrans71.3-173.1-17600000114.5G301G301-G305 CarbonylContact C-O 3.53Å
306S66.8Low78.5Confident44 Ų4464 Ų6431%0.30832%0.323SS..  trans-124.5156.9171.477.80000111.2W308 Q309 N310S306-W308 PolarHBondContact O-N 2.9Å; S306-W308 VanDerWaalsContact O-N 3.12Å; S306-Q309 VanDerWaalsContact N-OE1 3.09Å; S306-Q309 PolarHBondContact O-N 2.81Å; S306-Q309 VanDerWaalsContact O-N 3.1Å; S306-Q309 WeakPolarHBondContact OG-CG 3.39Å; S306-Q309 PolarHBondContact OG-N 2.88Å; S306-N310 PolarHBondContact O-N 2.92Å; S306-N310 PolarHBondContact O-OD1 3.02Å
307K65.3Low78.4Confident137 Ų13764 Ų6460%0.59632%0.323SS*.Hα-helixtrans-55.4-30.2176.2-71.9-173.9179.7177.30113.6A311 N340K307-A311 PolarHBondContact O-N 2.81Å; K307-N340 PolarHBondContact O-ND2 3.21Å
308W65.6Low78.5Confident191 Ų19162.9 Ų62.972%0.72332%0.317SS*.Hα-helixtrans-74.3-45.8177-173.985.9000111.2S306 N310 A311 L312S306-W308 PolarHBondContact O-N 2.9Å; S306-W308 VanDerWaalsContact O-N 3.12Å; W308-N310 PolarHBondContact O-N 3.31Å; W308-A311 PolarHBondContact O-N 2.82Å; W308-A311 VanDerWaalsContact O-N 3.17Å; W308-L312 HydrophobicContact CH2-CD1 3.92Å; W308-L312 HydrophobicContact CZ2-CD1 4.34Å; W308-L312 HydrophobicContact CZ3-CD1 4.13Å
309Q74.6Confident78.6Confident106 Ų10667.7 Ų67.750%0.49534%0.34SS..Hα-helixtrans-60.4-35.2174.1-72.2170-21.100111.9S306 A311 L312 L313S306-Q309 VanDerWaalsContact N-OE1 3.09Å; S306-Q309 PolarHBondContact O-N 2.81Å; S306-Q309 VanDerWaalsContact O-N 3.1Å; S306-Q309 WeakPolarHBondContact OG-CG 3.39Å; S306-Q309 PolarHBondContact OG-N 2.88Å; Q309-A311 VanDerWaalsContact C-N 3.31Å; Q309-A311 PolarHBondContact O-N 3.36Å; Q309-L312 PolarHBondContact O-N 2.83Å; Q309-L313 VanDerWaalsContact O-CB 3.32Å; Q309-L313 WeakPolarHBondContact O-CB 3.49Å; Q309-L313 PolarHBondContact O-N 3.13Å
310N80.4Confident79Confident2 Ų267.1 Ų67.11%0.01133%0.334CS..Hα-helixtrans-62.2-34.9176.9-78.74.4000113.3P299 Y300 G301 S306 W308 L313 Y314 D337P299-N310 PolarHBondContact O-ND2 3.03Å; P299-N310 PolarHBondContact O-OD1 2.91Å; Y300-N310 VanDerWaalsContact C-ND2 3.31Å; G301-N310 WeakPolarHBondContact CA-ND2 3.18Å; G301-N310 PolarHBondContact N-ND2 2.94Å; S306-N310 PolarHBondContact O-N 2.92Å; S306-N310 PolarHBondContact O-OD1 3.02Å; W308-N310 PolarHBondContact O-N 3.31Å; N310-L313 PolarHBondContact O-N 3.25Å; N310-Y314 HydrophobicContact CB-CD1 4.47Å; N310-Y314 HydrophobicContact CB-CE1 4.06Å; N310-Y314 HydrophobicContact CB-CE2 4.27Å; N310-Y314 PolarHBondContact ND2-OH 2.88Å; N310-Y314 WeakPolarHBondContact O-CB 3.5Å; N310-Y314 VanDerWaalsContact O-CD1 3.28Å; N310-Y314 WeakPolarHBondContact O-CD1 3.29Å; N310-Y314 PolarHBondContact O-N 2.68Å; N310-D337 PolarHBondContact ND2-OD2 3.41Å
311A83.4Confident79.9Confident35 Ų3565.2 Ų65.229%0.28933%0.327SS..Hα-helixtrans-61.3-48.6-18000000111.3K307 W308 Q309 Q315K307-A311 PolarHBondContact O-N 2.81Å; W308-A311 PolarHBondContact O-N 2.82Å; W308-A311 VanDerWaalsContact O-N 3.17Å; Q309-A311 VanDerWaalsContact C-N 3.31Å; Q309-A311 PolarHBondContact O-N 3.36Å; A311-Q315 PolarHBondContact O-N 3.37Å
312L89.2Confident81.4Confident101 Ų10165 Ų6553%0.52932%0.323SS..Hα-helixtrans-69-42.6177.5-66.2172.6000111.9W308 Q309 Q315 A316W308-L312 HydrophobicContact CH2-CD1 3.92Å; W308-L312 HydrophobicContact CZ2-CD1 4.34Å; W308-L312 HydrophobicContact CZ3-CD1 4.13Å; Q309-L312 PolarHBondContact O-N 2.83Å; L312-Q315 PolarHBondContact O-N 2.97Å; L312-A316 PolarHBondContact O-N 2.91Å; L312-A316 VanDerWaalsContact O-N 3.15Å
313L92.2Very high83.1Confident35 Ų3559 Ų5918%0.18330%0.297CS..Hα-helixtrans-60.7-48.1177.9175.764.1000111.3K282 P299 Q309 N310 Q315 A316 V317K282-L313 HydrophobicContact CD-CD1 4.04Å; K282-L313 HydrophobicContact CG-CD1 3.71Å; P299-L313 HydrophobicContact CG-CD2 3.39Å; Q309-L313 VanDerWaalsContact O-CB 3.32Å; Q309-L313 WeakPolarHBondContact O-CB 3.49Å; Q309-L313 PolarHBondContact O-N 3.13Å; N310-L313 PolarHBondContact O-N 3.25Å; L313-Q315 VanDerWaalsContact C-N 3.29Å; L313-Q315 PolarHBondContact O-N 2.8Å; L313-A316 PolarHBondContact O-N 2.71Å; L313-V317 HydrophobicContact CD1-CG2 3.77Å; L313-V317 HydrophobicContact CG-CG2 4.21Å; L313-V317 WeakPolarHBondContact O-CB 3.22Å; L313-V317 VanDerWaalsContact O-CG2 3.26Å; L313-V317 WeakPolarHBondContact O-CG2 3.43Å; L313-V317 PolarHBondContact O-N 3.48Å
314Y94.3Very high85Confident0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-64.4-38.8-177.8-69.41.8000110.9L298 P299 N310 V317 V318 T335 D337 N340 L341L298-Y314 HydrophobicContact CB-CD1 4.46Å; L298-Y314 HydrophobicContact CB-CE1 3.73Å; L298-Y314 HydrophobicContact CD1-CD1 3.96Å; L298-Y314 HydrophobicContact CD1-CE1 3.87Å; L298-Y314 HydrophobicContact CD1-CE2 4.42Å; L298-Y314 HydrophobicContact CD1-CG 4.31Å; L298-Y314 HydrophobicContact CG-CE1 4.4Å; P299-Y314 PolarHBondContact O-OH 3.22Å; N310-Y314 HydrophobicContact CB-CD1 4.47Å; N310-Y314 HydrophobicContact CB-CE1 4.06Å; N310-Y314 HydrophobicContact CB-CE2 4.27Å; N310-Y314 PolarHBondContact ND2-OH 2.88Å; N310-Y314 WeakPolarHBondContact O-CB 3.5Å; N310-Y314 VanDerWaalsContact O-CD1 3.28Å; N310-Y314 WeakPolarHBondContact O-CD1 3.29Å; N310-Y314 PolarHBondContact O-N 2.68Å; Y314-V317 PolarHBondContact O-N 2.86Å; Y314-V318 VanDerWaalsContact O-CB 3.28Å; Y314-V318 WeakPolarHBondContact O-CB 3.2Å; Y314-V318 WeakPolarHBondContact O-CG2 3.5Å; Y314-V318 PolarHBondContact O-N 3.39Å; Y314-T335 HydrophobicContact CE2-CG2 4.3Å; Y314-T335 PolarHBondContact OH-OG1 2.8Å; Y314-D337 HydrophobicContact CE2-CB 3.95Å; Y314-N340 HydrophobicContact CD2-CB 3.89Å; Y314-N340 HydrophobicContact CE2-CB 4.1Å; Y314-L341 HydrophobicContact CD2-CB 3.98Å; Y314-L341 HydrophobicContact CD2-CD1 4.28Å; Y314-L341 HydrophobicContact CE2-CB 4.22Å
315Q92.9Very high86.9Confident99 Ų9947.3 Ų47.346%0.46324%0.243SC..Hα-helixtrans-56-58.1174.1-175.7175.8-11.300111.8A311 L312 L313 V317 V318 E319 T344A311-Q315 PolarHBondContact O-N 3.37Å; L312-Q315 PolarHBondContact O-N 2.97Å; L313-Q315 VanDerWaalsContact C-N 3.29Å; L313-Q315 PolarHBondContact O-N 2.8Å; Q315-V317 VanDerWaalsContact C-N 3.34Å; Q315-V317 PolarHBondContact O-N 2.95Å; Q315-V318 PolarHBondContact O-N 2.85Å; Q315-E319 VanDerWaalsContact CG-OE1 3.31Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.18Å; Q315-E319 PolarHBondContact NE2-OE1 3.42Å; Q315-E319 VanDerWaalsContact NE2-OE1 3.09Å; Q315-E319 WeakPolarHBondContact O-CG 3.36Å; Q315-E319 PolarHBondContact O-N 2.76Å; Q315-T344 VanDerWaalsContact CA-CG2 3.48Å; Q315-T344 HydrophobicContact CB-CG2 4.26Å
316A94.4Very high88.7Confident20 Ų2049.9 Ų49.917%0.16524%0.238CC..Hα-helixtrans-62.1-40.2-178.700000112.6K282 L312 L313 E319 E320K282-A316 HydrophobicContact CB-CB 3.75Å; K282-A316 HydrophobicContact CD-CB 4.32Å; K282-A316 HydrophobicContact CG-CB 3.72Å; L312-A316 PolarHBondContact O-N 2.91Å; L312-A316 VanDerWaalsContact O-N 3.15Å; L313-A316 PolarHBondContact O-N 2.71Å; A316-E319 PolarHBondContact O-N 3.2Å; A316-E320 WeakPolarHBondContact O-CG 3.46Å; A316-E320 PolarHBondContact O-N 3.43Å
317V96.1Very high90.1Very high2 Ų251 Ų511%0.01224%0.244CC..Hα-helixtrans-65.3-41.4177.1170.40000111.5M226 A281 L298 L313 Y314 Q315 E319 E320 V321M226-V317 HydrophobicContact CE-CG1 4.36Å; M226-V317 HydrophobicContact CE-CG2 4.44Å; A281-V317 HydrophobicContact CB-CG2 3.93Å; L298-V317 HydrophobicContact CD2-CG1 4.16Å; L313-V317 HydrophobicContact CD1-CG2 3.77Å; L313-V317 HydrophobicContact CG-CG2 4.21Å; L313-V317 WeakPolarHBondContact O-CB 3.22Å; L313-V317 VanDerWaalsContact O-CG2 3.26Å; L313-V317 WeakPolarHBondContact O-CG2 3.43Å; L313-V317 PolarHBondContact O-N 3.48Å; Y314-V317 PolarHBondContact O-N 2.86Å; Q315-V317 VanDerWaalsContact C-N 3.34Å; Q315-V317 PolarHBondContact O-N 2.95Å; V317-E319 VanDerWaalsContact C-N 3.35Å; V317-E320 PolarHBondContact O-N 2.91Å; V317-V321 HydrophobicContact CG1-CG2 4.25Å; V317-V321 WeakPolarHBondContact O-CB 3.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.03Å; V317-V321 PolarHBondContact O-N 3.16Å
318V95.9Very high91.5Very high13 Ų1346.8 Ų46.88%0.07924%0.239CC..Hα-helixtrans-67.4-36.9178.8169.20000111.3Y314 Q315 V321 A322 L333 L341 T344 L345 L350Y314-V318 VanDerWaalsContact O-CB 3.28Å; Y314-V318 WeakPolarHBondContact O-CB 3.2Å; Y314-V318 WeakPolarHBondContact O-CG2 3.5Å; Y314-V318 PolarHBondContact O-N 3.39Å; Q315-V318 PolarHBondContact O-N 2.85Å; V318-V321 PolarHBondContact O-N 3.49Å; V318-A322 WeakPolarHBondContact O-CB 3.26Å; V318-A322 PolarHBondContact O-N 2.74Å; V318-L333 HydrophobicContact CG2-CD1 3.99Å; V318-L341 HydrophobicContact CG2-CD1 3.89Å; V318-T344 HydrophobicContact CB-CG2 3.59Å; V318-T344 HydrophobicContact CG1-CG2 3.93Å; V318-T344 HydrophobicContact CG2-CG2 3.68Å; V318-L345 HydrophobicContact CG1-CD2 4.11Å; V318-L345 HydrophobicContact CG2-CD2 4.29Å; V318-L350 HydrophobicContact CG1-CD1 3.82Å
319E94.8Very high93Very high104 Ų10437.7 Ų37.749%0.48621%0.205SC..Hα-helixtrans-62.1-45.8172.9-72.4168.6-169.600111.1Q315 A316 V317 A322 R323Q315-E319 VanDerWaalsContact CG-OE1 3.31Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.18Å; Q315-E319 PolarHBondContact NE2-OE1 3.42Å; Q315-E319 VanDerWaalsContact NE2-OE1 3.09Å; Q315-E319 WeakPolarHBondContact O-CG 3.36Å; Q315-E319 PolarHBondContact O-N 2.76Å; A316-E319 PolarHBondContact O-N 3.2Å; V317-E319 VanDerWaalsContact C-N 3.35Å; E319-A322 WeakPolarHBondContact O-CB 3.47Å; E319-A322 PolarHBondContact O-N 3.48Å; E319-R323 WeakPolarHBondContact O-CB 3.1Å; E319-R323 PolarHBondContact O-N 2.84Å
320E96.7Very high94.1Very high22 Ų2234.8 Ų34.810%0.10319%0.19CC..Hα-helixtrans-64.2-41175.2-75.7-66.4101.200112.7K282 L284 A316 V317 A322 R323 V324K282-E320 VanDerWaalsContact O-CG 3.25Å; K282-E320 WeakPolarHBondContact O-CG 3.44Å; L284-E320 WeakPolarHBondContact CA-OE2 3.38Å; L284-E320 VanDerWaalsContact CB-OE2 3.32Å; L284-E320 WeakPolarHBondContact CB-OE2 3.16Å; L284-E320 HydrophobicContact CD1-CB 4.12Å; L284-E320 HydrophobicContact CG-CB 4.33Å; L284-E320 PolarHBondContact N-OE2 2.95Å; A316-E320 WeakPolarHBondContact O-CG 3.46Å; A316-E320 PolarHBondContact O-N 3.43Å; V317-E320 PolarHBondContact O-N 2.91Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.15Å; E320-R323 WeakPolarHBondContact O-CB 3.32Å; E320-R323 PolarHBondContact O-N 2.96Å; E320-R323 VanDerWaalsContact O-N 3.15Å; E320-R323 IonicContact OE1-CZ 3.67Å; E320-R323 IonicContact OE1-NE 3.09Å; E320-R323 PolarHBondContact OE1-NE 2.85Å; E320-R323 IonicContact OE1-NH2 3.58Å; E320-R323 PolarHBondContact OE1-NH2 2.84Å; E320-R323 IonicContact OE2-CZ 2.74Å; E320-R323 IonicContact OE2-NE 3.12Å; E320-R323 PolarHBondContact OE2-NE 2.87Å; E320-R323 IonicContact OE2-NH2 3.82Å; E320-R323 PolarHBondContact OE2-NH2 2.93Å; E320-V324 WeakPolarHBondContact O-CG1 3.35Å; E320-V324 WeakPolarHBondContact O-CG2 3.46Å; E320-V324 PolarHBondContact O-N 2.83Å
321V97Very high95Very high1 Ų134.7 Ų34.71%0.00619%0.189CC..Hα-helixtrans-57.7-45.2173164.70000110.5I294 V317 V318 R323 L325 A331 L333 L350I294-V321 HydrophobicContact CD1-CB 4.15Å; I294-V321 HydrophobicContact CD1-CG1 4.11Å; I294-V321 HydrophobicContact CD1-CG2 3.87Å; I294-V321 HydrophobicContact CG2-CG2 4.26Å; V317-V321 HydrophobicContact CG1-CG2 4.25Å; V317-V321 WeakPolarHBondContact O-CB 3.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.03Å; V317-V321 PolarHBondContact O-N 3.16Å; V318-V321 PolarHBondContact O-N 3.49Å; V321-R323 VanDerWaalsContact C-N 3.33Å; V321-R323 PolarHBondContact O-N 2.82Å; V321-L325 HydrophobicContact CG1-CD1 3.67Å; V321-L325 HydrophobicContact CG1-CG 4.47Å; V321-L325 VanDerWaalsContact O-CB 3.28Å; V321-L325 WeakPolarHBondContact O-CB 3.49Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 3.27Å; V321-L325 VanDerWaalsContact O-N 3.16Å; V321-A331 HydrophobicContact CG1-CB 3.89Å; V321-L333 HydrophobicContact CG2-CD2 4.29Å; V321-L350 HydrophobicContact CB-CD1 4.48Å; V321-L350 HydrophobicContact CG1-CD1 3.9Å; V321-L350 HydrophobicContact CG1-CD2 4.33Å
322A96.4Very high95.7Very high7 Ų733.1 Ų33.16%0.05818%0.176CC..Hα-helixtrans-64.8-37.2176.500000112.2V318 E319 E320 M349 L350 R372V318-A322 WeakPolarHBondContact O-CB 3.26Å; V318-A322 PolarHBondContact O-N 2.74Å; E319-A322 WeakPolarHBondContact O-CB 3.47Å; E319-A322 PolarHBondContact O-N 3.48Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.15Å; A322-M349 HydrophobicContact CB-CB 3.89Å; A322-M349 HydrophobicContact CB-SD 4.31Å; A322-L350 HydrophobicContact CB-CD1 3.9Å; A322-L350 HydrophobicContact CB-CG 3.93Å; A322-R372 WeakPolarHBondContact O-CD 3.31Å; A322-R372 PolarHBondContact O-NE 2.93Å
323R96Very high96.1Very high26 Ų2628.3 Ų28.310%0.09815%0.15CC..Hα-helixtrans-68.8-48.5-179.7-173.917869.874.1-0.1112.9L284 L286 N288 A289 E319 E320 V321 F377L284-R323 PolarHBondContact O-NH2 2.89Å; L286-R323 PolarHBondContact O-NH1 2.69Å; L286-R323 PolarHBondContact O-NH2 3.27Å; N288-R323 VanDerWaalsContact CA-O 3.32Å; N288-R323 WeakPolarHBondContact CA-O 2.99Å; N288-R323 HydrophobicContact CB-CG 4.38Å; N288-R323 VanDerWaalsContact OD1-CD 3.31Å; N288-R323 WeakPolarHBondContact OD1-CD 3.26Å; N288-R323 WeakPolarHBondContact OD1-CG 3.3Å; N288-R323 PolarHBondContact OD1-NH1 3.31Å; A289-R323 PolarHBondContact N-O 3.22Å; E319-R323 WeakPolarHBondContact O-CB 3.1Å; E319-R323 PolarHBondContact O-N 2.84Å; E320-R323 WeakPolarHBondContact O-CB 3.32Å; E320-R323 PolarHBondContact O-N 2.96Å; E320-R323 VanDerWaalsContact O-N 3.15Å; E320-R323 IonicContact OE1-CZ 3.67Å; E320-R323 IonicContact OE1-NE 3.09Å; E320-R323 PolarHBondContact OE1-NE 2.85Å; E320-R323 IonicContact OE1-NH2 3.58Å; E320-R323 PolarHBondContact OE1-NH2 2.84Å; E320-R323 IonicContact OE2-CZ 2.74Å; E320-R323 IonicContact OE2-NE 3.12Å; E320-R323 PolarHBondContact OE2-NE 2.87Å; E320-R323 IonicContact OE2-NH2 3.82Å; E320-R323 PolarHBondContact OE2-NH2 2.93Å; V321-R323 VanDerWaalsContact C-N 3.33Å; V321-R323 PolarHBondContact O-N 2.82Å; R323-F377 HydrophobicContact CB-CD1 4.46Å; R323-F377 HydrophobicContact CB-CD2 3.74Å; R323-F377 HydrophobicContact CB-CE1 4.27Å; R323-F377 HydrophobicContact CB-CE2 3.54Å; R323-F377 HydrophobicContact CB-CG 4.22Å; R323-F377 HydrophobicContact CB-CZ 3.83Å; R323-F377 HydrophobicContact CG-CD1 3.73Å; R323-F377 HydrophobicContact CG-CD2 3.92Å; R323-F377 HydrophobicContact CG-CE1 3.57Å; R323-F377 HydrophobicContact CG-CE2 3.8Å; R323-F377 HydrophobicContact CG-CG 3.91Å; R323-F377 HydrophobicContact CG-CZ 3.62Å
324V97.5Very high96.3Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-87-22.5-170.6-52.20000113.2L284 L286 A289 T290 V291 I294 E320L284-V324 HydrophobicContact CB-CG1 4.35Å; L284-V324 HydrophobicContact CD1-CG1 4.2Å; L284-V324 HydrophobicContact CD1-CG2 4.08Å; L286-V324 HydrophobicContact CB-CB 4.43Å; L286-V324 HydrophobicContact CB-CG1 3.95Å; A289-V324 CarbonylContact C-O 3.58Å; A289-V324 WeakPolarHBondContact CA-O 3.44Å; A289-V324 PolarHBondContact N-O 2.87Å; T290-V324 PolarHBondContact N-O 3.42Å; V291-V324 HydrophobicContact CB-CG2 4.49Å; V291-V324 HydrophobicContact CG2-CB 4.44Å; V291-V324 HydrophobicContact CG2-CG2 4.27Å; V291-V324 PolarHBondContact N-O 3.29Å; I294-V324 HydrophobicContact CD1-CG2 3.59Å; E320-V324 WeakPolarHBondContact O-CG1 3.35Å; E320-V324 WeakPolarHBondContact O-CG2 3.46Å; E320-V324 PolarHBondContact O-N 2.83Å
325L97.7Very high96.3Very high0 Ų026.8 Ų26.80%014%0.143CC..EExtended strand (participates in β ladder)trans-69.1132.3173.8-79.8172.4000111.2V291 I294 V321 A331 L350 R372V291-L325 HydrophobicContact CG1-CD2 4.37Å; V291-L325 WeakPolarHBondContact O-CA 3.18Å; I294-L325 HydrophobicContact CD1-CD1 4.31Å; I294-L325 HydrophobicContact CD1-CD2 4.14Å; I294-L325 HydrophobicContact CD1-CG 3.81Å; I294-L325 HydrophobicContact CG1-CD2 3.89Å; I294-L325 HydrophobicContact CG1-CG 4.12Å; V321-L325 HydrophobicContact CG1-CD1 3.67Å; V321-L325 HydrophobicContact CG1-CG 4.47Å; V321-L325 VanDerWaalsContact O-CB 3.28Å; V321-L325 WeakPolarHBondContact O-CB 3.49Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 3.27Å; V321-L325 VanDerWaalsContact O-N 3.16Å; L325-A331 HydrophobicContact CD1-CB 3.83Å; L325-L350 HydrophobicContact CD1-CD2 4.16Å; L325-R372 HydrophobicContact CB-CB 4.06Å; L325-R372 HydrophobicContact CB-CG 4.03Å
326R96.5Very high96.2Very high103 Ų10323.3 Ų23.339%0.38913%0.129SC..EExtended strand (participates in β ladder)trans-64.1151.7169.972.4169.7-173.2-169.5-12.6111E220 A289 V291 D292 G328 G329 R372E220-R326 IonicContact OE1-NH2 3.48Å; A289-R326 HydrophobicContact CB-CB 4.45Å; V291-R326 PolarHBondContact O-N 2.78Å; D292-R326 WeakPolarHBondContact OD1-CD 3.37Å; D292-R326 IonicContact OD1-CZ 3.34Å; D292-R326 IonicContact OD1-NE 2.82Å; D292-R326 PolarHBondContact OD1-NE 2.97Å; D292-R326 IonicContact OD1-NH1 2.76Å; D292-R326 PolarHBondContact OD1-NH1 2.99Å; D292-R326 IonicContact OD1-NH2 3.07Å; D292-R326 PolarHBondContact OD1-NH2 3.21Å; D292-R326 VanDerWaalsContact OD1-NH2 3.12Å; R326-G328 PolarHBondContact O-N 3.38Å; R326-G329 WeakPolarHBondContact O-CA 3.13Å; R326-G329 PolarHBondContact O-N 3.12Å; R326-R372 VanDerWaalsContact O-CB 3.29Å; R326-R372 WeakPolarHBondContact O-CB 3.32Å; R326-R372 WeakPolarHBondContact O-CG 3.49Å
327P95.6Very high96.1Very high67 Ų6723.1 Ų23.144%0.43513%0.125SC..EExtended strand (participates in β ladder)trans-48130.6166.8-28.936.9000111.9G329P327-G329 PolarHBondContact O-N 3.28Å
328G94.6Very high95.8Very high49 Ų4926.2 Ų26.251%0.50514%0.139SC..EExtended strand (participates in β ladder)trans79.7-6.5-173.800000115.5R326 R372R326-G328 PolarHBondContact O-N 3.38Å; G328-R372 WeakPolarHBondContact CA-O 2.98Å; G328-R372 PolarHBondContact N-O 3.28Å
329G97.4Very high95.5Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-61.7165.3171.700000113D292 R326 P327 R371 R372D292-G329 CarbonylContact O-C 3.53Å; D292-G329 WeakPolarHBondContact O-CA 3.44Å; R326-G329 WeakPolarHBondContact O-CA 3.13Å; R326-G329 PolarHBondContact O-N 3.12Å; P327-G329 PolarHBondContact O-N 3.28Å; G329-R371 WeakPolarHBondContact O-CA 3.26Å; G329-R372 PolarHBondContact O-N 2.81Å
330R97.9Very high95.3Very high45 Ų4530.8 Ų30.817%0.1715%0.152CC..EExtended strand (participates in β ladder)trans-127.1143.4-169.1-58.4173.8-68.2-91.61.9110.5C214 K215 E220 D292 C293 I294 L370C214-R330 WeakPolarHBondContact O-CD 3.37Å; C214-R330 PolarHBondContact O-NE 3.41Å; K215-R330 PolarHBondContact O-NH2 2.79Å; E220-R330 IonicContact OE1-CZ 2.8Å; E220-R330 IonicContact OE1-NH1 3.82Å; E220-R330 IonicContact OE1-NH2 3.63Å; E220-R330 PolarHBondContact OE1-NH2 2.9Å; E220-R330 IonicContact OE2-NH2 2.8Å; E220-R330 PolarHBondContact OE2-NH2 2.89Å; D292-R330 PolarHBondContact O-N 3.13Å; C293-R330 CarbonylContact C-O 3.49Å; C293-R330 WeakPolarHBondContact CA-O 3.46Å; C293-R330 PolarHBondContact SG-O 3.41Å; I294-R330 PolarHBondContact N-O 3.37Å; R330-L370 WeakPolarHBondContact CA-O 3.37Å
331A98.3Very high95.1Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-127.9144.2172.500000111.2I294 V321 L325 L333 L369 L370I294-A331 HydrophobicContact CB-CB 4.34Å; I294-A331 CarbonylContact O-C 3.58Å; I294-A331 WeakPolarHBondContact O-CA 3.39Å; V321-A331 HydrophobicContact CG1-CB 3.89Å; L325-A331 HydrophobicContact CD1-CB 3.83Å; A331-L333 HydrophobicContact CB-CD2 4.49Å; A331-L369 CarbonylContact O-C 3.52Å; A331-L369 WeakPolarHBondContact O-CA 3.38Å; A331-L370 HydrophobicContact CB-CB 3.94Å; A331-L370 HydrophobicContact CB-CD1 4.18Å; A331-L370 HydrophobicContact CB-CG 4.37Å; A331-L370 PolarHBondContact N-O 2.89Å; A331-L370 PolarHBondContact O-N 3.41Å
332C98.4Very high94.9Very high1 Ų135.2 Ų35.21%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-124.5105.6166.2-175.90000109C214 I294 I295 T296 F368 L369C214-C332 WeakPolarHBondContact SG-CB 3.49Å; I294-C332 PolarHBondContact O-N 2.74Å; I295-C332 WeakPolarHBondContact CA-O 3.49Å; I295-C332 HydrophobicContact CG1-CB 4.21Å; I295-C332 HydrophobicContact CG2-CB 4.16Å; T296-C332 PolarHBondContact N-O 3.04Å; C332-F368 WeakPolarHBondContact CA-O 3.47Å; C332-L369 HydrophobicContact CB-CD1 4.44Å
333L97.8Very high94.6Very high0 Ų041.7 Ų41.70%020%0.195CC..EExtended strand (participates in β ladder)trans-102.8121.1179.3-52.7-174.4000109I294 T296 L298 V318 V321 A331 L341 F368 L370I294-L333 HydrophobicContact CG2-CD2 4.49Å; T296-L333 HydrophobicContact CG2-CD2 3.73Å; L298-L333 HydrophobicContact CD1-CB 4.26Å; V318-L333 HydrophobicContact CG2-CD1 3.99Å; V321-L333 HydrophobicContact CG2-CD2 4.29Å; A331-L333 HydrophobicContact CB-CD2 4.49Å; L333-L341 HydrophobicContact CB-CD2 4.11Å; L333-L341 HydrophobicContact CD1-CD1 4.22Å; L333-F368 PolarHBondContact N-O 3.22Å; L333-F368 PolarHBondContact O-N 2.67Å; L333-L370 HydrophobicContact CD1-CD1 3.69Å; L333-L370 HydrophobicContact CG-CD1 4.02Å
334V96.4Very high94.3Very high3 Ų341.8 Ų41.82%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-104.1130.5-179.6-173.80000110.1L210 T296 D297 L298 P365 T366 A367L210-V334 HydrophobicContact CD1-CG2 3.65Å; L210-V334 HydrophobicContact CD2-CG2 3.67Å; L210-V334 HydrophobicContact CG-CG2 4.31Å; T296-V334 PolarHBondContact O-N 2.74Å; D297-V334 HydrophobicContact CB-CB 4.48Å; D297-V334 WeakPolarHBondContact OD1-CG1 3.34Å; L298-V334 WeakPolarHBondContact CB-O 3.41Å; L298-V334 WeakPolarHBondContact CG-O 3.4Å; L298-V334 PolarHBondContact N-O 3.17Å; V334-P365 HydrophobicContact CG1-CB 4.03Å; V334-T366 WeakPolarHBondContact CA-O 3.42Å; V334-A367 HydrophobicContact CG2-CB 3.96Å
335T94.1Very high94Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-157149.9173.2-171.90000113.6L298 Y314 D337 L341 T366 F368L298-T335 HydrophobicContact CD1-CG2 4.43Å; Y314-T335 HydrophobicContact CE2-CG2 4.3Å; Y314-T335 PolarHBondContact OH-OG1 2.8Å; T335-D337 PolarHBondContact OG1-N 3.22Å; T335-L341 HydrophobicContact CG2-CB 3.92Å; T335-L341 HydrophobicContact CG2-CD2 3.59Å; T335-L341 HydrophobicContact CG2-CG 4.4Å; T335-T366 PolarHBondContact N-O 3.35Å; T335-T366 PolarHBondContact O-N 3Å; T335-F368 HydrophobicContact CG2-CE2 4.11Å
336S91.3Very high93.2Very high27 Ų2746.4 Ų46.419%0.18924%0.24CC..SBendtrans-81.9-16.4164.2-64.70000113.5Y300 K338Y300-S336 VanDerWaalsContact CD1-N 3.3Å; Y300-S336 VanDerWaalsContact CD2-OG 3.26Å; Y300-S336 WeakPolarHBondContact CD2-OG 2.85Å; Y300-S336 WeakPolarHBondContact CE2-OG 3.35Å; S336-K338 VanDerWaalsContact C-N 3.28Å; S336-K338 PolarHBondContact O-N 3.23Å; S336-K338 VanDerWaalsContact O-N 3.17Å
337D90.7Very high92.4Very high15 Ų1544 Ų448%0.0825%0.247CC..  trans-92.561.2180-168.64.5000111.4N310 Y314 T335 R339 N340 L341N310-D337 PolarHBondContact ND2-OD2 3.41Å; Y314-D337 HydrophobicContact CE2-CB 3.95Å; T335-D337 PolarHBondContact OG1-N 3.22Å; D337-R339 PolarHBondContact O-N 2.87Å; D337-N340 PolarHBondContact O-N 2.9Å; D337-N340 PolarHBondContact OD1-ND2 3.17Å; D337-N340 PolarHBondContact OD2-ND2 3.02Å; D337-L341 PolarHBondContact O-N 3.29Å
338K90.9Very high91.8Very high67 Ų6749.2 Ų49.229%0.29126%0.263SS..Hα-helixtrans-55.3-39.4-173.2-47.6180-166.7-1620111.8S336 N340 L341 Y342 F364 T366 F368S336-K338 VanDerWaalsContact C-N 3.28Å; S336-K338 PolarHBondContact O-N 3.23Å; S336-K338 VanDerWaalsContact O-N 3.17Å; K338-N340 PolarHBondContact O-N 3.38Å; K338-L341 PolarHBondContact O-N 3.08Å; K338-Y342 HydrophobicContact CB-CD2 4.34Å; K338-Y342 HydrophobicContact CB-CE2 4.43Å; K338-Y342 WeakPolarHBondContact O-CB 2.94Å; K338-Y342 WeakPolarHBondContact O-CD2 3.18Å; K338-Y342 PolarHBondContact O-N 3.31Å; K338-F364 WeakPolarHBondContact CE-O 3.18Å; K338-F364 PolarHBondContact NZ-O 3.45Å; K338-T366 VanDerWaalsContact CD-OG1 3.26Å; K338-T366 WeakPolarHBondContact CD-OG1 3.47Å; K338-T366 WeakPolarHBondContact CE-OG1 3.32Å; K338-T366 PolarHBondContact NZ-OG1 3.17Å; K338-F368 HydrophobicContact CB-CZ 4.19Å
339R89.7Confident91.7Very high188 Ų18848.8 Ų48.871%0.70925%0.248SC*.Hα-helixtrans-63.7-44-175-171.7178.9-173.6-178.40.9111.6D337 K343D337-R339 PolarHBondContact O-N 2.87Å; R339-K343 WeakPolarHBondContact O-CG 3.47Å; R339-K343 PolarHBondContact O-N 3.42Å
340N89.7Confident91.6Very high25 Ų2549.4 Ų49.413%0.13425%0.252CS..Hα-helixtrans-68.8-43.5177.8-80.8-27.5000110.9K307 Y314 D337 K338 Y342 K343 T344K307-N340 PolarHBondContact O-ND2 3.21Å; Y314-N340 HydrophobicContact CD2-CB 3.89Å; Y314-N340 HydrophobicContact CE2-CB 4.1Å; D337-N340 PolarHBondContact O-N 2.9Å; D337-N340 PolarHBondContact OD1-ND2 3.17Å; D337-N340 PolarHBondContact OD2-ND2 3.02Å; K338-N340 PolarHBondContact O-N 3.38Å; N340-Y342 PolarHBondContact O-N 3.49Å; N340-K343 WeakPolarHBondContact O-CB 3.4Å; N340-K343 PolarHBondContact O-N 3.28Å; N340-T344 PolarHBondContact O-N 3.36Å; N340-T344 PolarHBondContact O-OG1 3.14Å; N340-T344 VanDerWaalsContact O-OG1 3.12Å
341L92.9Very high91.4Very high0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-64.4-42.1180-170.460.9000112.5L298 Y314 V318 L333 T335 D337 K338 K343 T344 L345 F368L298-L341 HydrophobicContact CD1-CD1 4.01Å; L298-L341 HydrophobicContact CD1-CD2 4.04Å; Y314-L341 HydrophobicContact CD2-CB 3.98Å; Y314-L341 HydrophobicContact CD2-CD1 4.28Å; Y314-L341 HydrophobicContact CE2-CB 4.22Å; V318-L341 HydrophobicContact CG2-CD1 3.89Å; L333-L341 HydrophobicContact CB-CD2 4.11Å; L333-L341 HydrophobicContact CD1-CD1 4.22Å; T335-L341 HydrophobicContact CG2-CB 3.92Å; T335-L341 HydrophobicContact CG2-CD2 3.59Å; T335-L341 HydrophobicContact CG2-CG 4.4Å; D337-L341 PolarHBondContact O-N 3.29Å; K338-L341 PolarHBondContact O-N 3.08Å; L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 PolarHBondContact O-N 3.09Å; L341-T344 WeakPolarHBondContact O-CB 3.36Å; L341-T344 PolarHBondContact O-N 3.32Å; L341-T344 VanDerWaalsContact O-N 3.09Å; L341-L345 HydrophobicContact CD1-CG 4.4Å; L341-L345 HydrophobicContact CG-CD1 4.07Å; L341-L345 HydrophobicContact CG-CG 4.33Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.25Å; L341-L345 PolarHBondContact O-N 2.91Å; L341-L345 VanDerWaalsContact O-N 3.08Å; L341-F368 HydrophobicContact CD2-CB 4.24Å; L341-F368 HydrophobicContact CD2-CD1 4.31Å; L341-F368 HydrophobicContact CD2-CD2 3.41Å; L341-F368 VanDerWaalsContact CD2-CD2 3.41Å; L341-F368 HydrophobicContact CD2-CE2 3.71Å; L341-F368 HydrophobicContact CD2-CG 3.75Å; L341-F368 HydrophobicContact CD2-CZ 4.27Å; L341-F368 HydrophobicContact CG-CD2 4.49Å
342Y92.4Very high91.3Very high117 Ų11753.2 Ų53.246%0.45928%0.279SS..Hα-helixtrans-57.5-39.8174.6-89.3-64.8000113.1K338 N340 T344 L345 L352 F368K338-Y342 HydrophobicContact CB-CD2 4.34Å; K338-Y342 HydrophobicContact CB-CE2 4.43Å; K338-Y342 WeakPolarHBondContact O-CB 2.94Å; K338-Y342 WeakPolarHBondContact O-CD2 3.18Å; K338-Y342 PolarHBondContact O-N 3.31Å; N340-Y342 PolarHBondContact O-N 3.49Å; Y342-T344 VanDerWaalsContact C-N 3.28Å; Y342-T344 PolarHBondContact O-N 2.92Å; Y342-L345 PolarHBondContact O-N 2.88Å; Y342-L352 HydrophobicContact CD1-CD2 4.49Å; Y342-L352 HydrophobicContact CE1-CD2 3.86Å; Y342-F368 AromaticContact CD1-CE1 3.97Å; Y342-F368 HydrophobicContact CD1-CE1 3.97Å; Y342-F368 AromaticContact CD2-CE1 3.83Å; Y342-F368 HydrophobicContact CD2-CE1 3.83Å; Y342-F368 AromaticContact CD2-CZ 3.95Å; Y342-F368 HydrophobicContact CD2-CZ 3.95Å; Y342-F368 HydrophobicContact CE1-CD1 4.47Å; Y342-F368 AromaticContact CE1-CE1 3.7Å; Y342-F368 HydrophobicContact CE1-CE1 3.7Å; Y342-F368 AromaticContact CE2-CE1 3.54Å; Y342-F368 HydrophobicContact CE2-CE1 3.54Å; Y342-F368 AromaticContact CE2-CZ 3.68Å; Y342-F368 HydrophobicContact CE2-CZ 3.68Å; Y342-F368 HydrophobicContact CG-CE1 4.03Å; Y342-F368 AromaticContact CZ-CE1 3.47Å; Y342-F368 VanDerWaalsContact CZ-CE1 3.47Å
343K90.1Very high91.1Very high142 Ų14255.6 Ų55.662%0.61730%0.296SS*.Hα-helixtrans-65-35177.3-73.4176.1176.4-172.80112R339 N340 L341R339-K343 WeakPolarHBondContact O-CG 3.47Å; R339-K343 PolarHBondContact O-N 3.42Å; N340-K343 WeakPolarHBondContact O-CB 3.4Å; N340-K343 PolarHBondContact O-N 3.28Å; L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 PolarHBondContact O-N 3.09Å
344T90.9Very high91Very high29 Ų2961 Ų6118%0.17832%0.32CS..Hα-helixtrans-74.8-31.5-179.8-55.50000112.9Q315 V318 N340 L341 Y342 G346Q315-T344 VanDerWaalsContact CA-CG2 3.48Å; Q315-T344 HydrophobicContact CB-CG2 4.26Å; V318-T344 HydrophobicContact CB-CG2 3.59Å; V318-T344 HydrophobicContact CG1-CG2 3.93Å; V318-T344 HydrophobicContact CG2-CG2 3.68Å; N340-T344 PolarHBondContact O-N 3.36Å; N340-T344 PolarHBondContact O-OG1 3.14Å; N340-T344 VanDerWaalsContact O-OG1 3.12Å; L341-T344 WeakPolarHBondContact O-CB 3.36Å; L341-T344 PolarHBondContact O-N 3.32Å; L341-T344 VanDerWaalsContact O-N 3.09Å; Y342-T344 VanDerWaalsContact C-N 3.28Å; Y342-T344 PolarHBondContact O-N 2.92Å; T344-G346 PolarHBondContact O-N 3.18Å
345L91Very high91Very high26 Ų2663.6 Ų63.614%0.13634%0.335CS..THydrogen-bonded Turntrans-7523.2-175.7-67.5173.8000115V318 L341 Y342 L352 F368 L370V318-L345 HydrophobicContact CG1-CD2 4.11Å; V318-L345 HydrophobicContact CG2-CD2 4.29Å; L341-L345 HydrophobicContact CD1-CG 4.4Å; L341-L345 HydrophobicContact CG-CD1 4.07Å; L341-L345 HydrophobicContact CG-CG 4.33Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.25Å; L341-L345 PolarHBondContact O-N 2.91Å; L341-L345 VanDerWaalsContact O-N 3.08Å; Y342-L345 PolarHBondContact O-N 2.88Å; L345-L352 HydrophobicContact CD1-CD1 4.39Å; L345-F368 HydrophobicContact CD1-CB 4.47Å; L345-F368 HydrophobicContact CD1-CD1 3.77Å; L345-F368 HydrophobicContact CD1-CE1 4.37Å; L345-F368 HydrophobicContact CD1-CG 4.39Å; L345-L370 HydrophobicContact CD1-CD2 3.91Å; L345-L370 HydrophobicContact CD2-CD1 3.58Å; L345-L370 HydrophobicContact CD2-CD2 3.79Å; L345-L370 HydrophobicContact CD2-CG 4.36Å; L345-L370 HydrophobicContact CG-CD2 4.47Å
346G80Confident91.1Very high71 Ų7166.3 Ų66.373%0.73235%0.346SS*.THydrogen-bonded Turntrans-83.3-5.3179.700000115.6T344T344-G346 PolarHBondContact O-N 3.18Å
347G80Confident91.4Very high52 Ų5267.8 Ų67.854%0.53636%0.356SS..SBendtrans-72.2157.6-177.800000114M349G347-M349 VanDerWaalsContact C-N 3.34Å; G347-M349 PolarHBondContact O-N 3.48Å
348K83.6Confident91.6Very high177 Ų17767.1 Ų67.177%0.7735%0.352SS*.SBendtrans-77.9-16-179.5-60.3-177.6-178.8176.60114.1T373 L375K348-T373 VanDerWaalsContact O-CG2 3.28Å; K348-T373 WeakPolarHBondContact O-CG2 3.49Å; K348-T373 PolarHBondContact O-OG1 2.98Å; K348-L375 HydrophobicContact CB-CD1 3.5Å; K348-L375 WeakPolarHBondContact O-CD1 3.45Å
349M91.9Very high91.7Very high39 Ų3966.1 Ų66.119%0.19235%0.35CS..SBendtrans-81.9-25.7-171.4-62.5-171.171.900113.5A322 G347 R372 T373 F377A322-M349 HydrophobicContact CB-CB 3.89Å; A322-M349 HydrophobicContact CB-SD 4.31Å; G347-M349 VanDerWaalsContact C-N 3.34Å; G347-M349 PolarHBondContact O-N 3.48Å; M349-R372 WeakPolarHBondContact O-CD 3.31Å; M349-R372 PolarHBondContact O-NH1 3.2Å; M349-T373 WeakPolarHBondContact CA-OG1 3.26Å; M349-T373 PolarHBondContact O-N 2.96Å; M349-T373 PolarHBondContact O-OG1 3.2Å; M349-T373 VanDerWaalsContact O-OG1 3.14Å; M349-F377 HydrophobicContact CE-CB 3.7Å; M349-F377 HydrophobicContact CE-CD2 3.55Å; M349-F377 HydrophobicContact CE-CG 4.09Å; M349-F377 HydrophobicContact SD-CD2 3.8Å; M349-F377 HydrophobicContact SD-CE2 4.44Å
350L95.2Very high91.7Very high14 Ų1459 Ų597%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-121.8123.7179.5-66170000109V318 V321 A322 L325 L370 R371 R372V318-L350 HydrophobicContact CG1-CD1 3.82Å; V321-L350 HydrophobicContact CB-CD1 4.48Å; V321-L350 HydrophobicContact CG1-CD1 3.9Å; V321-L350 HydrophobicContact CG1-CD2 4.33Å; A322-L350 HydrophobicContact CB-CD1 3.9Å; A322-L350 HydrophobicContact CB-CG 3.93Å; L325-L350 HydrophobicContact CD1-CD2 4.16Å; L350-L370 HydrophobicContact CD1-CD1 4.19Å; L350-R371 CarbonylContact C-O 3.6Å; L350-R371 WeakPolarHBondContact CA-O 3.21Å; L350-R372 HydrophobicContact CD2-CB 4.45Å
351S94.8Very high91.4Very high53 Ų5362 Ų6237%0.37136%0.364SS..EExtended strand (participates in β ladder)trans-98.3128.3171.962.90000109.9S353 L370 R371S351-S353 PolarHBondContact O-N 3.1Å; S351-L370 CarbonylContact O-C 3.57Å; S351-L370 WeakPolarHBondContact O-CA 3.28Å; S351-R371 PolarHBondContact N-O 3.12Å; S351-R371 PolarHBondContact O-N 3.2Å; S351-R371 PolarHBondContact OG-O 3.18Å
352L96Very high91Very high71 Ų7164.5 Ų64.537%0.37239%0.39SS..EExtended strand (participates in β ladder)trans-69.9115.7171.7-178.162.2000109.9Y342 L345 V355 F368 L370Y342-L352 HydrophobicContact CD1-CD2 4.49Å; Y342-L352 HydrophobicContact CE1-CD2 3.86Å; L345-L352 HydrophobicContact CD1-CD1 4.39Å; L352-V355 HydrophobicContact CD1-CG2 3.81Å; L352-V355 HydrophobicContact CD2-CG2 3.85Å; L352-V355 HydrophobicContact CG-CG2 4.11Å; L352-F368 HydrophobicContact CD1-CB 4.13Å; L352-F368 HydrophobicContact CD1-CD1 3.95Å; L352-L370 HydrophobicContact CB-CD2 4.2Å; L352-L370 HydrophobicContact CD1-CD2 3.56Å
353S94.3Very high90.7Very high51 Ų5161.7 Ų61.736%0.35738%0.382SS..EExtended strand (participates in β ladder)trans-91.7-52.2-177.8-1800000112.2S351 L369S351-S353 PolarHBondContact O-N 3.1Å; S353-L369 WeakPolarHBondContact CA-O 3.37Å; S353-L369 WeakPolarHBondContact CB-O 3.48Å; S353-L369 PolarHBondContact N-O 3.49Å
354K96.2Very high90.8Very high114 Ų11459 Ų5950%0.49637%0.37SS..EExtended strand (participates in β ladder)trans-150.2158.1-178.2-67.9-170-179.6-1760110.8Y356 L369K354-Y356 HydrophobicContact CB-CD2 4.39Å; K354-Y356 HydrophobicContact CB-CE2 3.6Å; K354-Y356 HydrophobicContact CD-CE2 4.19Å; K354-Y356 WeakPolarHBondContact CD-OH 3.28Å; K354-L369 HydrophobicContact CB-CB 4.27Å; K354-L369 HydrophobicContact CB-CD2 4.38Å; K354-L369 PolarHBondContact N-O 3.09Å; K354-L369 WeakPolarHBondContact O-CB 3.48Å; K354-L369 PolarHBondContact O-N 2.94Å
355V96.2Very high91Very high57 Ų5757.6 Ų57.635%0.34536%0.362SS..EExtended strand (participates in β ladder)trans-133.2130.5179.6-178.70000108.8L352 T366 A367 F368L352-V355 HydrophobicContact CD1-CG2 3.81Å; L352-V355 HydrophobicContact CD2-CG2 3.85Å; L352-V355 HydrophobicContact CG-CG2 4.11Å; V355-T366 HydrophobicContact CG1-CG2 3.11Å; V355-A367 WeakPolarHBondContact CA-O 3.5Å; V355-F368 HydrophobicContact CG1-CE1 4.5Å; V355-F368 HydrophobicContact CG2-CD1 4.06Å; V355-F368 HydrophobicContact CG2-CE1 4.41Å
356Y96.5Very high91.2Very high58 Ų5856.6 Ų56.623%0.22736%0.357CS..EExtended strand (participates in β ladder)trans-124.3126.4-179.5-62.3-95000109.8L213 K354 T366 A367L213-Y356 HydrophobicContact CD1-CD1 4.47Å; L213-Y356 HydrophobicContact CD1-CD2 3.71Å; L213-Y356 HydrophobicContact CD1-CE2 3.97Å; L213-Y356 HydrophobicContact CD1-CG 3.99Å; L213-Y356 HydrophobicContact CD2-CD1 4.43Å; L213-Y356 HydrophobicContact CD2-CD2 4.31Å; L213-Y356 HydrophobicContact CD2-CE1 3.91Å; L213-Y356 HydrophobicContact CD2-CE2 3.77Å; L213-Y356 HydrophobicContact CG-CE2 4.43Å; K354-Y356 HydrophobicContact CB-CD2 4.39Å; K354-Y356 HydrophobicContact CB-CE2 3.6Å; K354-Y356 HydrophobicContact CD-CE2 4.19Å; K354-Y356 WeakPolarHBondContact CD-OH 3.28Å; Y356-T366 CarbonylContact O-C 3.5Å; Y356-T366 WeakPolarHBondContact O-CA 3.38Å; Y356-T366 WeakPolarHBondContact O-CG2 3.32Å; Y356-A367 PolarHBondContact N-O 3.32Å; Y356-A367 PolarHBondContact O-N 3.49Å
357S95.9Very high92Very high57 Ų5753.2 Ų53.240%0.39932%0.322SS..EExtended strand (participates in β ladder)trans-93.6119171.9-166.70000109.1G15G15-S357 WeakPolarHBondContact CA-O 3.44Å
358I96Very high92.9Very high1 Ų150.8 Ų50.81%0.00530%0.297CS..  trans-111.9133.7-170.8-57.2168.2000109.3A13 S14 L16 I206 L210 V360 F364 P365 A367A13-I358 HydrophobicContact CB-CG2 4.14Å; S14-I358 CarbonylContact O-C 3.5Å; S14-I358 VanDerWaalsContact O-CA 3.25Å; S14-I358 WeakPolarHBondContact O-CA 3.31Å; L16-I358 HydrophobicContact CD1-CD1 4.24Å; L16-I358 HydrophobicContact CD1-CG2 4.02Å; L16-I358 HydrophobicContact CD2-CD1 3.97Å; L16-I358 HydrophobicContact CD2-CG1 4.3Å; L16-I358 HydrophobicContact CG-CD1 4.14Å; L16-I358 HydrophobicContact CG-CG1 4.16Å; L16-I358 HydrophobicContact CG-CG2 4.2Å; I206-I358 HydrophobicContact CG2-CG2 4.26Å; L210-I358 HydrophobicContact CD2-CD1 3.6Å; I358-V360 HydrophobicContact CG2-CG2 4.16Å; I358-V360 PolarHBondContact O-N 2.87Å; I358-F364 VanDerWaalsContact O-CA 3.31Å; I358-F364 WeakPolarHBondContact O-CA 3.45Å; I358-P365 PolarHBondContact N-O 3.4Å; I358-P365 WeakPolarHBondContact O-CD 3.41Å; I358-A367 HydrophobicContact CD1-CB 3.87Å
359N93.3Very high93.6Very high47 Ų4743.2 Ų43.225%0.25127%0.265SS..  trans-80.3116.6173.9-176-3.5000110.9S14 G362 M363 F364S14-N359 PolarHBondContact O-N 3.12Å; N359-G362 PolarHBondContact OD1-N 3.45Å; N359-M363 CarbonylContact C-O 3.39Å; N359-M363 WeakPolarHBondContact CA-O 3.46Å; N359-F364 HydrophobicContact CB-CD1 4.29Å; N359-F364 HydrophobicContact CB-CE1 3.9Å
360V89.6Confident93.8Very high38 Ų3841.4 Ų41.423%0.2326%0.256CS..BIsolated β-bridgetrans-123.290.6176.3-170.90000108.9I206 I358 G362 M363 P365I206-V360 HydrophobicContact CD1-CB 4.43Å; I206-V360 HydrophobicContact CD1-CG1 4.24Å; I206-V360 HydrophobicContact CD1-CG2 3.76Å; I358-V360 HydrophobicContact CG2-CG2 4.16Å; I358-V360 PolarHBondContact O-N 2.87Å; V360-G362 VanDerWaalsContact C-N 3.29Å; V360-G362 PolarHBondContact O-N 2.97Å; V360-M363 PolarHBondContact N-O 3.4Å; V360-M363 WeakPolarHBondContact O-CB 3.41Å; V360-M363 PolarHBondContact O-N 3.15Å; V360-P365 HydrophobicContact CB-CG 3.99Å; V360-P365 HydrophobicContact CG2-CG 3.35Å
361G82Confident93.9Very high87 Ų8747.3 Ų47.390%0.89728%0.277SS*.THydrogen-bonded Turntrans58.739.1177.700000113.3M363G361-M363 VanDerWaalsContact C-N 3.28Å; G361-M363 PolarHBondContact O-N 3.41Å
362G84.4Confident94Very high54 Ų5445.3 Ų45.356%0.55726%0.262SS*.THydrogen-bonded Turntrans85.5-9.7-177.900000114.5N359 V360N359-G362 PolarHBondContact OD1-N 3.45Å; V360-G362 VanDerWaalsContact C-N 3.29Å; V360-G362 PolarHBondContact O-N 2.97Å
363M87.1Confident93.9Very high57 Ų5743.5 Ų43.528%0.28125%0.254SS..BIsolated β-bridgetrans-84.6153.6165.3-61.2-171.5-67.600110.2N359 V360 G361 P365N359-M363 CarbonylContact C-O 3.39Å; N359-M363 WeakPolarHBondContact CA-O 3.46Å; V360-M363 PolarHBondContact N-O 3.4Å; V360-M363 WeakPolarHBondContact O-CB 3.41Å; V360-M363 PolarHBondContact O-N 3.15Å; G361-M363 VanDerWaalsContact C-N 3.28Å; G361-M363 PolarHBondContact O-N 3.41Å; M363-P365 WeakPolarHBondContact O-CD 3.28Å
364F92.5Very high93.7Very high85 Ų8546.2 Ų46.237%0.37327%0.273SS..  trans-120.563.7179.2-65.7-84.9000111.6K338 I358 N359K338-F364 WeakPolarHBondContact CE-O 3.18Å; K338-F364 PolarHBondContact NZ-O 3.45Å; I358-F364 VanDerWaalsContact O-CA 3.31Å; I358-F364 WeakPolarHBondContact O-CA 3.45Å; N359-F364 HydrophobicContact CB-CD1 4.29Å; N359-F364 HydrophobicContact CB-CE1 3.9Å
365P94.1Very high93.1Very high1 Ų144.8 Ų44.81%0.00627%0.27CS..  trans-57.3153.9169.127.8-35.9000110.4Y300 V334 I358 V360 M363Y300-P365 HydrophobicContact CE2-CB 4.41Å; V334-P365 HydrophobicContact CG1-CB 4.03Å; I358-P365 PolarHBondContact N-O 3.4Å; I358-P365 WeakPolarHBondContact O-CD 3.41Å; V360-P365 HydrophobicContact CB-CG 3.99Å; V360-P365 HydrophobicContact CG2-CG 3.35Å; M363-P365 WeakPolarHBondContact O-CD 3.28Å
366T96.1Very high92.2Very high4 Ų450.4 Ų50.43%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-118.2128.9-177.7-69.90000109.9V334 T335 K338 V355 Y356 F368V334-T366 WeakPolarHBondContact CA-O 3.42Å; T335-T366 PolarHBondContact N-O 3.35Å; T335-T366 PolarHBondContact O-N 3Å; K338-T366 VanDerWaalsContact CD-OG1 3.26Å; K338-T366 WeakPolarHBondContact CD-OG1 3.47Å; K338-T366 WeakPolarHBondContact CE-OG1 3.32Å; K338-T366 PolarHBondContact NZ-OG1 3.17Å; V355-T366 HydrophobicContact CG1-CG2 3.11Å; Y356-T366 CarbonylContact O-C 3.5Å; Y356-T366 WeakPolarHBondContact O-CA 3.38Å; Y356-T366 WeakPolarHBondContact O-CG2 3.32Å; T366-F368 HydrophobicContact CG2-CD2 3.79Å; T366-F368 HydrophobicContact CG2-CE1 4.49Å; T366-F368 HydrophobicContact CG2-CE2 3.35Å; T366-F368 HydrophobicContact CG2-CZ 3.76Å; T366-F368 WeakPolarHBondContact O-CD2 3.19Å
367A97.5Very high91.2Very high1 Ų150.7 Ų50.71%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-90.2121.7171.100000109.5L210 V334 V355 Y356 I358L210-A367 HydrophobicContact CD2-CB 3.65Å; V334-A367 HydrophobicContact CG2-CB 3.96Å; V355-A367 WeakPolarHBondContact CA-O 3.5Å; Y356-A367 PolarHBondContact N-O 3.32Å; Y356-A367 PolarHBondContact O-N 3.49Å; I358-A367 HydrophobicContact CD1-CB 3.87Å
368F97.7Very high89.9Confident0 Ų052.8 Ų52.80%030%0.302CS..EExtended strand (participates in β ladder)trans-103.3109178.1-67.2-107.2000108.3C332 L333 T335 K338 L341 Y342 L345 L352 V355 T366C332-F368 WeakPolarHBondContact CA-O 3.47Å; L333-F368 PolarHBondContact N-O 3.22Å; L333-F368 PolarHBondContact O-N 2.67Å; T335-F368 HydrophobicContact CG2-CE2 4.11Å; K338-F368 HydrophobicContact CB-CZ 4.19Å; L341-F368 HydrophobicContact CD2-CB 4.24Å; L341-F368 HydrophobicContact CD2-CD1 4.31Å; L341-F368 HydrophobicContact CD2-CD2 3.41Å; L341-F368 VanDerWaalsContact CD2-CD2 3.41Å; L341-F368 HydrophobicContact CD2-CE2 3.71Å; L341-F368 HydrophobicContact CD2-CG 3.75Å; L341-F368 HydrophobicContact CD2-CZ 4.27Å; L341-F368 HydrophobicContact CG-CD2 4.49Å; Y342-F368 AromaticContact CD1-CE1 3.97Å; Y342-F368 HydrophobicContact CD1-CE1 3.97Å; Y342-F368 AromaticContact CD2-CE1 3.83Å; Y342-F368 HydrophobicContact CD2-CE1 3.83Å; Y342-F368 AromaticContact CD2-CZ 3.95Å; Y342-F368 HydrophobicContact CD2-CZ 3.95Å; Y342-F368 HydrophobicContact CE1-CD1 4.47Å; Y342-F368 AromaticContact CE1-CE1 3.7Å; Y342-F368 HydrophobicContact CE1-CE1 3.7Å; Y342-F368 AromaticContact CE2-CE1 3.54Å; Y342-F368 HydrophobicContact CE2-CE1 3.54Å; Y342-F368 AromaticContact CE2-CZ 3.68Å; Y342-F368 HydrophobicContact CE2-CZ 3.68Å; Y342-F368 HydrophobicContact CG-CE1 4.03Å; Y342-F368 AromaticContact CZ-CE1 3.47Å; Y342-F368 VanDerWaalsContact CZ-CE1 3.47Å; L345-F368 HydrophobicContact CD1-CB 4.47Å; L345-F368 HydrophobicContact CD1-CD1 3.77Å; L345-F368 HydrophobicContact CD1-CE1 4.37Å; L345-F368 HydrophobicContact CD1-CG 4.39Å; L352-F368 HydrophobicContact CD1-CB 4.13Å; L352-F368 HydrophobicContact CD1-CD1 3.95Å; V355-F368 HydrophobicContact CG1-CE1 4.5Å; V355-F368 HydrophobicContact CG2-CD1 4.06Å; V355-F368 HydrophobicContact CG2-CE1 4.41Å; T366-F368 HydrophobicContact CG2-CD2 3.79Å; T366-F368 HydrophobicContact CG2-CE1 4.49Å; T366-F368 HydrophobicContact CG2-CE2 3.35Å; T366-F368 HydrophobicContact CG2-CZ 3.76Å; T366-F368 WeakPolarHBondContact O-CD2 3.19Å
369L97.7Very high88Confident19 Ų1959.3 Ų59.310%0.09934%0.336CS..EExtended strand (participates in β ladder)trans-86.5117.3175.6-172.868.7000109.1A331 C332 S353 K354A331-L369 CarbonylContact O-C 3.52Å; A331-L369 WeakPolarHBondContact O-CA 3.38Å; C332-L369 HydrophobicContact CB-CD1 4.44Å; S353-L369 WeakPolarHBondContact CA-O 3.37Å; S353-L369 WeakPolarHBondContact CB-O 3.48Å; S353-L369 PolarHBondContact N-O 3.49Å; K354-L369 HydrophobicContact CB-CB 4.27Å; K354-L369 HydrophobicContact CB-CD2 4.38Å; K354-L369 PolarHBondContact N-O 3.09Å; K354-L369 WeakPolarHBondContact O-CB 3.48Å; K354-L369 PolarHBondContact O-N 2.94Å
370L97.6Very high85.8Confident1 Ų167.1 Ų67.11%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-112.9153-177.6-49.7175.8000110.1R330 A331 L333 L345 L350 S351 L352R330-L370 WeakPolarHBondContact CA-O 3.37Å; A331-L370 HydrophobicContact CB-CB 3.94Å; A331-L370 HydrophobicContact CB-CD1 4.18Å; A331-L370 HydrophobicContact CB-CG 4.37Å; A331-L370 PolarHBondContact N-O 2.89Å; A331-L370 PolarHBondContact O-N 3.41Å; L333-L370 HydrophobicContact CD1-CD1 3.69Å; L333-L370 HydrophobicContact CG-CD1 4.02Å; L345-L370 HydrophobicContact CD1-CD2 3.91Å; L345-L370 HydrophobicContact CD2-CD1 3.58Å; L345-L370 HydrophobicContact CD2-CD2 3.79Å; L345-L370 HydrophobicContact CD2-CG 4.36Å; L345-L370 HydrophobicContact CG-CD2 4.47Å; L350-L370 HydrophobicContact CD1-CD1 4.19Å; S351-L370 CarbonylContact O-C 3.57Å; S351-L370 WeakPolarHBondContact O-CA 3.28Å; L352-L370 HydrophobicContact CB-CD2 4.2Å; L352-L370 HydrophobicContact CD1-CD2 3.56Å
371R97Very high83.6Confident138 Ų13872.2 Ų72.252%0.52142%0.422SS..EExtended strand (participates in β ladder)trans-122.8139.4167.9-71.9-174.7176.6-170.5-3.1110.3G329 L350 S351G329-R371 WeakPolarHBondContact O-CA 3.26Å; L350-R371 CarbonylContact C-O 3.6Å; L350-R371 WeakPolarHBondContact CA-O 3.21Å; S351-R371 PolarHBondContact N-O 3.12Å; S351-R371 PolarHBondContact O-N 3.2Å; S351-R371 PolarHBondContact OG-O 3.18Å
372R96.3Very high83.7Confident10 Ų1071.5 Ų71.54%0.03840%0.398CS..EExtended strand (participates in β ladder)trans-76.9121.6173.2-173.265.6-178.671.623.2109.6A322 L325 R326 G328 G329 M349 L350 L375A322-R372 WeakPolarHBondContact O-CD 3.31Å; A322-R372 PolarHBondContact O-NE 2.93Å; L325-R372 HydrophobicContact CB-CB 4.06Å; L325-R372 HydrophobicContact CB-CG 4.03Å; R326-R372 VanDerWaalsContact O-CB 3.29Å; R326-R372 WeakPolarHBondContact O-CB 3.32Å; R326-R372 WeakPolarHBondContact O-CG 3.49Å; G328-R372 WeakPolarHBondContact CA-O 2.98Å; G328-R372 PolarHBondContact N-O 3.28Å; G329-R372 PolarHBondContact O-N 2.81Å; M349-R372 WeakPolarHBondContact O-CD 3.31Å; M349-R372 PolarHBondContact O-NH1 3.2Å; L350-R372 HydrophobicContact CD2-CB 4.45Å; R372-L375 VanDerWaalsContact CZ-O 3.23Å; R372-L375 PolarHBondContact NH1-O 3.34Å; R372-L375 PolarHBondContact NH2-O 3.44Å
373T94.8Very high83.7Confident34 Ų3472.4 Ų72.421%0.20939%0.39CS..  trans-70.7171.5176.4670000111.3K348 M349 L375K348-T373 VanDerWaalsContact O-CG2 3.28Å; K348-T373 WeakPolarHBondContact O-CG2 3.49Å; K348-T373 PolarHBondContact O-OG1 2.98Å; M349-T373 WeakPolarHBondContact CA-OG1 3.26Å; M349-T373 PolarHBondContact O-N 2.96Å; M349-T373 PolarHBondContact O-OG1 3.2Å; M349-T373 VanDerWaalsContact O-OG1 3.14Å; T373-L375 PolarHBondContact O-N 3.5Å
374S90.6Very high83.5Confident108 Ų10873.2 Ų73.276%0.75540%0.396SS*.SBendtrans-74.6-7.5177.550.80000114.4E376S374-E376 PolarHBondContact O-N 3.47Å
375L83.6Confident83Confident83 Ų8372.5 Ų72.544%0.43540%0.397SS..  trans-62.1131.4179.5-69.1172000110.6K348 R372 T373K348-L375 HydrophobicContact CB-CD1 3.5Å; K348-L375 WeakPolarHBondContact O-CD1 3.45Å; R372-L375 VanDerWaalsContact CZ-O 3.23Å; R372-L375 PolarHBondContact NH1-O 3.34Å; R372-L375 PolarHBondContact NH2-O 3.44Å; T373-L375 PolarHBondContact O-N 3.5Å
376E77.1Confident82.3Confident176 Ų17677 Ų7782%0.82242%0.422SS*.  trans-68.4150.1172.9-69.3-168158.400111.3S374 D378S374-E376 PolarHBondContact O-N 3.47Å; E376-D378 PolarHBondContact O-N 2.93Å
377F75.7Confident81.4Confident63 Ų6381.9 Ų81.928%0.27645%0.448SS..  trans-81.9100.3170.9-172.1-89.9000108.4R323 M349 L379R323-F377 HydrophobicContact CB-CD1 4.46Å; R323-F377 HydrophobicContact CB-CD2 3.74Å; R323-F377 HydrophobicContact CB-CE1 4.27Å; R323-F377 HydrophobicContact CB-CE2 3.54Å; R323-F377 HydrophobicContact CB-CG 4.22Å; R323-F377 HydrophobicContact CB-CZ 3.83Å; R323-F377 HydrophobicContact CG-CD1 3.73Å; R323-F377 HydrophobicContact CG-CD2 3.92Å; R323-F377 HydrophobicContact CG-CE1 3.57Å; R323-F377 HydrophobicContact CG-CE2 3.8Å; R323-F377 HydrophobicContact CG-CG 3.91Å; R323-F377 HydrophobicContact CG-CZ 3.62Å; M349-F377 HydrophobicContact CE-CB 3.7Å; M349-F377 HydrophobicContact CE-CD2 3.55Å; M349-F377 HydrophobicContact CE-CG 4.09Å; M349-F377 HydrophobicContact SD-CD2 3.8Å; M349-F377 HydrophobicContact SD-CE2 4.44Å; F377-L379 HydrophobicContact CD1-CD2 4.47Å; F377-L379 HydrophobicContact CE1-CD2 3.88Å; F377-L379 HydrophobicContact CE1-CG 4.37Å
378D68.3Low80.2Confident102 Ų10287.6 Ų87.655%0.54548%0.48SS..  trans-82.9127.8170.8-163.4-11.7000109.3E376 R380E376-D378 PolarHBondContact O-N 2.93Å; D378-R380 PolarHBondContact O-N 3.46Å; D378-R380 WeakPolarHBondContact OD1-CB 3.37Å; D378-R380 PolarHBondContact OD1-N 3.33Å; D378-R380 IonicContact OD1-NE 2.7Å
379L55.4Low78.9Confident138 Ų13894.4 Ų94.472%0.72352%0.517SS*.SBendtrans-70-13.3174.1-74.4162.1000112F377 G381F377-L379 HydrophobicContact CD1-CD2 4.47Å; F377-L379 HydrophobicContact CE1-CD2 3.88Å; F377-L379 HydrophobicContact CE1-CG 4.37Å; L379-G381 PolarHBondContact O-N 3.45Å
380R46.2Very low77.3Confident210 Ų210100.7 Ų100.779%0.79255%0.551SS**  trans-99.947.7-173.7-65.5-174.5-83.2-169-9.5113.7D378D378-R380 PolarHBondContact O-N 3.46Å; D378-R380 WeakPolarHBondContact OD1-CB 3.37Å; D378-R380 PolarHBondContact OD1-N 3.33Å; D378-R380 IonicContact OD1-NE 2.7Å
381G45.3Very low75.5Confident145 Ų145109.7 Ų109.7100%1.49560%0.601SS**  trans-53.80164.700000112.1L379L379-G381 PolarHBondContact O-N 3.45Å

Retrieved 381 of 381 residues in 121.8 ms (Link to these results)

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