A0A087Y2E6_POEFO Loading...

Esterase OVCA2

Exhibits ester hydrolase activity with a strong preference for long-chain alkyl ester substrates and high selectivity against a variety of short, branched, and substituted esters. Is able to hydrolyze ester bonds within a wide range of p-nitrophenyl derivatives (C2-C14) in vitro, with a strong preference toward substrates of >8 carbons.

AlphaFold DB , UniProt , Accession A0A087Y2E6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M76.1Confident95.6Very high189 Ų18934.9 Ų34.993%0.93120%0.199SC*.  0147.90-70145.2176.200108.2Q222M1-Q222 HydrophobicContact SD-CB 4.07Å
2A89.9Confident95.8Very high83 Ų8335.3 Ų35.369%0.68620%0.195SC*.PPolyproline II helixtrans-66150.2172.300000110
3P95.9Very high95.9Very high50 Ų5044.1 Ų44.133%0.32522%0.223SC..PPolyproline II helixtrans-60.4145.6171.4-20.232.8000111.4Q33 E35P3-Q33 WeakPolarHBondContact CA-O 3.38Å; P3-E35 HydrophobicContact CB-CB 4.34Å
4L98.4Very high95.9Very high6 Ų641.9 Ų41.93%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-68.4131173-63.5163.5000109.2Q33 L34 E35 D110 F141 L218 F221 Q222L4-Q33 PolarHBondContact N-O 3.34Å; L4-L34 HydrophobicContact CB-CD2 3.94Å; L4-L34 HydrophobicContact CD1-CD2 4.45Å; L4-L34 CarbonylContact O-C 3.57Å; L4-L34 WeakPolarHBondContact O-CA 3.27Å; L4-E35 PolarHBondContact O-N 2.74Å; L4-D110 WeakPolarHBondContact CA-OD2 3.29Å; L4-D110 HydrophobicContact CB-CB 4.1Å; L4-D110 HydrophobicContact CD2-CB 3.89Å; L4-F141 HydrophobicContact CB-CZ 4.43Å; L4-F141 HydrophobicContact CD1-CE1 4.01Å; L4-F141 HydrophobicContact CD1-CZ 4.18Å; L4-L218 HydrophobicContact CD1-CB 4.23Å; L4-L218 HydrophobicContact CD1-CD2 4Å; L4-F221 HydrophobicContact CD1-CB 3.99Å; L4-F221 HydrophobicContact CD2-CB 4.09Å; L4-F221 WeakPolarHBondContact CD2-O 3.45Å; L4-Q222 HydrophobicContact CD1-CG 3.84Å; L4-Q222 HydrophobicContact CG-CG 4.12Å
5R98.5Very high96Very high56 Ų5639.8 Ų39.821%0.21120%0.202CC..EExtended strand (participates in β ladder)trans-87.2119.4179.4-61.8-173.470.6-129.44.2109.6E35 Q106 G107 P108 F109 D110 G111R5-E35 WeakPolarHBondContact CA-O 3.35Å; R5-E35 HydrophobicContact CG-CB 4.22Å; R5-E35 IonicContact CZ-OE1 2.86Å; R5-E35 IonicContact NE-OE1 3.8Å; R5-E35 PolarHBondContact NE-OE1 3.22Å; R5-E35 IonicContact NE-OE2 2.82Å; R5-E35 IonicContact NH2-OE1 3.92Å; R5-Q106 VanDerWaalsContact CZ-O 3.22Å; R5-Q106 PolarHBondContact NH1-O 3.48Å; R5-Q106 PolarHBondContact NH2-O 3.17Å; R5-G107 VanDerWaalsContact NH1-C 3.32Å; R5-G107 PolarHBondContact NH1-O 3.35Å; R5-P108 PolarHBondContact NH1-O 2.87Å; R5-F109 HydrophobicContact CB-CD1 4.22Å; R5-F109 CarbonylContact O-C 3.59Å; R5-D110 PolarHBondContact N-OD2 2.96Å; R5-D110 PolarHBondContact O-N 3.04Å; R5-G111 PolarHBondContact O-N 2.89Å
6V98.8Very high96.1Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-122.3121-173.6176.40000110.4L34 E35 L36 V37 G111 L113 F141V6-L34 HydrophobicContact CG2-CD2 3.68Å; V6-E35 PolarHBondContact N-O 3.31Å; V6-L36 HydrophobicContact CB-CD2 3.77Å; V6-L36 HydrophobicContact CG1-CD2 4.11Å; V6-V37 PolarHBondContact O-N 3.37Å; V6-G111 WeakPolarHBondContact CA-O 3.49Å; V6-L113 HydrophobicContact CG1-CB 3.62Å; V6-F141 HydrophobicContact CG2-CE2 3.89Å; V6-F141 HydrophobicContact CG2-CZ 3.58Å
7L98.9Very high96.2Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-78.3124.9175.6178.666.8000109.7I9 V37 I39 V99 A102 F109 G111 L112 L113 F139L7-I9 HydrophobicContact CD2-CD1 4.21Å; L7-I9 HydrophobicContact CG-CD1 4.01Å; L7-V37 CarbonylContact C-O 3.51Å; L7-V37 WeakPolarHBondContact CA-O 3.49Å; L7-I39 HydrophobicContact CD1-CB 4.43Å; L7-I39 HydrophobicContact CD1-CD1 4.22Å; L7-I39 HydrophobicContact CD1-CG1 3.97Å; L7-I39 HydrophobicContact CD1-CG2 3.68Å; L7-I39 HydrophobicContact CD2-CD1 4.42Å; L7-V99 HydrophobicContact CD2-CG1 3.98Å; L7-A102 HydrophobicContact CD1-CB 4.33Å; L7-A102 HydrophobicContact CD2-CB 4.46Å; L7-F109 HydrophobicContact CB-CB 4.47Å; L7-F109 HydrophobicContact CB-CD1 4.02Å; L7-F109 HydrophobicContact CB-CD2 3.97Å; L7-F109 HydrophobicContact CB-CE1 4.22Å; L7-F109 HydrophobicContact CB-CE2 4.15Å; L7-F109 HydrophobicContact CB-CG 3.89Å; L7-F109 HydrophobicContact CB-CZ 4.28Å; L7-F109 HydrophobicContact CD1-CE1 4.44Å; L7-F109 HydrophobicContact CD1-CE2 4.06Å; L7-F109 HydrophobicContact CD1-CZ 3.93Å; L7-F109 HydrophobicContact CD2-CD2 4.21Å; L7-F109 HydrophobicContact CD2-CE2 4.12Å; L7-F109 HydrophobicContact CG-CE2 4.35Å; L7-G111 PolarHBondContact N-O 3.13Å; L7-L112 HydrophobicContact CB-CD2 4.03Å; L7-L112 HydrophobicContact CD2-CD2 4.09Å; L7-L112 HydrophobicContact CG-CD2 4.33Å; L7-L112 WeakPolarHBondContact O-CA 3.07Å; L7-L113 PolarHBondContact O-N 3.03Å; L7-F139 HydrophobicContact CD2-CZ 4.49Å
8C98.9Very high96.2Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-104.8122.4-171.7-66.10000111.2F19 V37 Y38 I39 L113C8-F19 HydrophobicContact CB-CD1 4.12Å; C8-F19 HydrophobicContact CB-CE1 3.86Å; C8-V37 WeakPolarHBondContact CB-O 3.17Å; C8-V37 PolarHBondContact N-O 3.09Å; C8-Y38 HydrophobicContact CB-CD1 3.47Å; C8-Y38 VanDerWaalsContact CB-CD1 3.47Å; C8-Y38 HydrophobicContact CB-CE1 3.64Å; C8-Y38 HydrophobicContact CB-CG 3.96Å; C8-I39 PolarHBondContact O-N 3.41Å; C8-L113 CarbonylContact C-O 3.56Å; C8-L113 VanDerWaalsContact CA-O 3.3Å; C8-L113 WeakPolarHBondContact CA-O 3.44Å
9I98.9Very high96.3Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-112.2109-175.1-51.3-55.7000108.5L7 I39 W70 V99 L113 G114 F115 G118 F121 V122L7-I9 HydrophobicContact CD2-CD1 4.21Å; L7-I9 HydrophobicContact CG-CD1 4.01Å; I9-I39 HydrophobicContact CD1-CD1 3.73Å; I9-I39 HydrophobicContact CD1-CG1 3.89Å; I9-W70 HydrophobicContact CB-CZ2 4.21Å; I9-W70 HydrophobicContact CD1-CH2 4.19Å; I9-W70 HydrophobicContact CD1-CZ2 4.38Å; I9-W70 HydrophobicContact CG2-CD2 4.02Å; I9-W70 HydrophobicContact CG2-CH2 4.05Å; I9-W70 HydrophobicContact CG2-CZ2 3.37Å; I9-V99 HydrophobicContact CD1-CG2 4.22Å; I9-L113 PolarHBondContact N-O 3.47Å; I9-G114 WeakPolarHBondContact O-CA 3.44Å; I9-F115 PolarHBondContact O-N 2.8Å; I9-G118 VanDerWaalsContact CG2-CA 3.48Å; I9-F121 HydrophobicContact CG2-CB 4.46Å; I9-F121 HydrophobicContact CG2-CD1 3.74Å; I9-V122 HydrophobicContact CB-CG2 3.89Å; I9-V122 HydrophobicContact CG1-CG2 3.61Å; I9-V122 HydrophobicContact CG2-CG2 4.36Å
10H98.8Very high96.4Very high0 Ų040.3 Ų40.30%021%0.205CC..PPolyproline II helixtrans-73.6167.9-171.567.375.6000114.1Q14 F19 I39 A41 W70 G118H10-Q14 HydrophobicContact CB-CB 4.01Å; H10-Q14 PolarHBondContact CE1-O 3.43Å; H10-Q14 PolarHBondContact ND1-O 2.79Å; H10-F19 VanDerWaalsContact CA-CD1 3.49Å; H10-F19 HydrophobicContact CB-CB 3.53Å; H10-F19 HydrophobicContact CB-CD1 3.61Å; H10-F19 HydrophobicContact CB-CD2 4.44Å; H10-F19 HydrophobicContact CB-CE1 4.42Å; H10-F19 HydrophobicContact CB-CG 3.64Å; H10-I39 PolarHBondContact CD2-O 3.1Å; H10-A41 WeakPolarHBondContact NE2-CB 3.44Å; H10-A41 PolarHBondContact NE2-N 3.45Å; H10-W70 AromaticContact CD2-CZ2 3.85Å; H10-W70 AromaticContact CE1-NE1 3.95Å; H10-W70 AromaticContact ND1-NE1 3.88Å; H10-W70 AromaticContact NE2-CZ2 3.9Å; H10-W70 PolarHBondContact O-NE1 3Å; H10-G118 VanDerWaalsContact O-CA 3.23Å; H10-G118 WeakPolarHBondContact O-CA 3.49Å; H10-G118 PolarHBondContact O-N 2.81Å
11G98.6Very high96.5Very high0 Ų044.9 Ų44.90%023%0.226CC..PPolyproline II helixtrans-80.7172.4174.500000113.7Q14 F115G11-Q14 VanDerWaalsContact O-CB 3.3Å; G11-Q14 WeakPolarHBondContact O-CB 3.31Å; G11-Q14 PolarHBondContact O-N 3.16Å; G11-F115 WeakPolarHBondContact CA-O 3.13Å; G11-F115 PolarHBondContact N-O 2.8Å
12Y98.2Very high97.4Very high39 Ų3942.2 Ų42.215%0.15321%0.209CC..THydrogen-bonded Turntrans-59.4144.1175.8-178.4-122000111.9Q14 V45 F72 S79 F80Y12-Q14 PolarHBondContact O-N 3.49Å; Y12-V45 HydrophobicContact CD2-CG2 4.11Å; Y12-V45 HydrophobicContact CE2-CB 4.43Å; Y12-V45 HydrophobicContact CE2-CG1 4.12Å; Y12-V45 HydrophobicContact CE2-CG2 3.41Å; Y12-V45 VanDerWaalsContact CE2-CG2 3.41Å; Y12-V45 VanDerWaalsContact OH-CG1 3.26Å; Y12-V45 WeakPolarHBondContact OH-CG1 3.44Å; Y12-F72 HydrophobicContact CE2-CD1 4.45Å; Y12-F72 HydrophobicContact CE2-CE1 4.12Å; Y12-S79 WeakPolarHBondContact OH-CA 3.48Å; Y12-F80 HydrophobicContact CD1-CB 4.25Å; Y12-F80 AromaticContact CD1-CD1 3.86Å; Y12-F80 HydrophobicContact CD1-CD1 3.86Å; Y12-F80 HydrophobicContact CD2-CB 3.71Å; Y12-F80 HydrophobicContact CD2-CD1 4.07Å; Y12-F80 HydrophobicContact CD2-CG 4.27Å; Y12-F80 HydrophobicContact CE1-CB 4.13Å; Y12-F80 HydrophobicContact CE1-CD1 4.48Å; Y12-F80 WeakPolarHBondContact CE1-O 3.33Å; Y12-F80 HydrophobicContact CE2-CB 3.59Å; Y12-F80 HydrophobicContact CG-CB 4.06Å; Y12-F80 AromaticContact CG-CD1 3.63Å; Y12-F80 HydrophobicContact CG-CD1 3.63Å; Y12-F80 HydrophobicContact CG-CG 4.27Å; Y12-F80 PolarHBondContact OH-N 3.31Å
13R96.3Very high97.8Very high150 Ų15038.3 Ų38.357%0.56618%0.177SC*.THydrogen-bonded Turntrans56.933.5-174.2-64.9179.1173.8-161.1-2.8113.3V45 P67 R68R13-V45 HydrophobicContact CG-CG1 4.08Å; R13-V45 HydrophobicContact CG-CG2 4.44Å; R13-P67 HydrophobicContact CB-CB 4.16Å; R13-P67 HydrophobicContact CG-CB 4.34Å; R13-R68 PolarHBondContact N-O 2.93Å
14Q96.6Very high97.9Very high13 Ų1337.3 Ų37.36%0.06118%0.175CC..BIsolated β-bridgetrans-125.1-179169.4-54.8-178.8-12.200108.8H10 G11 Y12 R68H10-Q14 HydrophobicContact CB-CB 4.01Å; H10-Q14 PolarHBondContact CE1-O 3.43Å; H10-Q14 PolarHBondContact ND1-O 2.79Å; G11-Q14 VanDerWaalsContact O-CB 3.3Å; G11-Q14 WeakPolarHBondContact O-CB 3.31Å; G11-Q14 PolarHBondContact O-N 3.16Å; Y12-Q14 PolarHBondContact O-N 3.49Å; Q14-R68 WeakPolarHBondContact O-CA 3.4Å; Q14-R68 WeakPolarHBondContact O-CB 3.13Å; Q14-R68 PolarHBondContact O-N 3.09Å
15N97.5Very high97.8Very high11 Ų1140 Ų406%0.05920%0.199CC..  trans-146.9178171.554.144.1000108.4S17 S18 F19 T40 E65 R68N15-S17 VanDerWaalsContact C-N 3.31Å; N15-S17 PolarHBondContact O-N 3.23Å; N15-S17 PolarHBondContact OD1-N 3.33Å; N15-S18 PolarHBondContact N-OG 2.97Å; N15-S18 PolarHBondContact O-OG 2.87Å; N15-S18 WeakPolarHBondContact OD1-CB 3.35Å; N15-S18 PolarHBondContact OD1-N 2.98Å; N15-S18 PolarHBondContact OD1-OG 3.35Å; N15-F19 VanDerWaalsContact O-CB 3.3Å; N15-F19 WeakPolarHBondContact O-CB 3.34Å; N15-F19 PolarHBondContact O-N 3.42Å; N15-T40 HydrophobicContact CB-CG2 3.82Å; N15-E65 HydrophobicContact CB-CB 4.44Å; N15-E65 WeakPolarHBondContact ND2-CB 3.33Å; N15-E65 PolarHBondContact ND2-O 3.4Å; N15-R68 HydrophobicContact CB-CG 4.47Å
16G97.6Very high97.8Very high5 Ų537.5 Ų37.55%0.05219%0.19CC..Hα-helixtrans-58.6-40.9-179.300000113.1R20 T40G16-R20 WeakPolarHBondContact O-CB 3.35Å; G16-R20 PolarHBondContact O-N 3.37Å; G16-T40 PolarHBondContact N-OG1 2.99Å
17S97.4Very high97.7Very high54 Ų5441.7 Ų41.738%0.37821%0.205SC..Hα-helixtrans-64.7-56.2179.6-1720000112.2N15 F19 R20 E21N15-S17 VanDerWaalsContact C-N 3.31Å; N15-S17 PolarHBondContact O-N 3.23Å; N15-S17 PolarHBondContact OD1-N 3.33Å; S17-F19 VanDerWaalsContact C-N 3.26Å; S17-F19 PolarHBondContact O-N 3.38Å; S17-R20 WeakPolarHBondContact O-CB 3.22Å; S17-R20 PolarHBondContact O-N 3.3Å; S17-E21 PolarHBondContact O-N 3.01Å
18S97.1Very high97.6Very high27 Ų2749.6 Ų49.619%0.18924%0.24CC..Hα-helixtrans-61.7-33.3179.258.30000112.4N15 E21 K22N15-S18 PolarHBondContact N-OG 2.97Å; N15-S18 PolarHBondContact O-OG 2.87Å; N15-S18 WeakPolarHBondContact OD1-CB 3.35Å; N15-S18 PolarHBondContact OD1-N 2.98Å; N15-S18 PolarHBondContact OD1-OG 3.35Å; S18-E21 PolarHBondContact O-N 2.89Å; S18-K22 WeakPolarHBondContact O-CB 3.34Å; S18-K22 WeakPolarHBondContact O-CG 3.41Å; S18-K22 PolarHBondContact O-N 3.5Å
19F98.3Very high97.5Very high1 Ų150.5 Ų50.50%0.00425%0.245CC..Hα-helixtrans-70.8-37.9175.1-170.3-144.7000112.2C8 H10 N15 S17 E21 K22 T23 Y38 L113 F115 V204C8-F19 HydrophobicContact CB-CD1 4.12Å; C8-F19 HydrophobicContact CB-CE1 3.86Å; H10-F19 VanDerWaalsContact CA-CD1 3.49Å; H10-F19 HydrophobicContact CB-CB 3.53Å; H10-F19 HydrophobicContact CB-CD1 3.61Å; H10-F19 HydrophobicContact CB-CD2 4.44Å; H10-F19 HydrophobicContact CB-CE1 4.42Å; H10-F19 HydrophobicContact CB-CG 3.64Å; N15-F19 VanDerWaalsContact O-CB 3.3Å; N15-F19 WeakPolarHBondContact O-CB 3.34Å; N15-F19 PolarHBondContact O-N 3.42Å; S17-F19 VanDerWaalsContact C-N 3.26Å; S17-F19 PolarHBondContact O-N 3.38Å; F19-E21 VanDerWaalsContact C-N 3.3Å; F19-E21 PolarHBondContact O-N 2.81Å; F19-K22 PolarHBondContact O-N 3.07Å; F19-T23 HydrophobicContact CD2-CG2 3.83Å; F19-T23 HydrophobicContact CE2-CG2 3.46Å; F19-T23 VanDerWaalsContact CE2-CG2 3.46Å; F19-T23 HydrophobicContact CZ-CG2 3.98Å; F19-T23 WeakPolarHBondContact O-CB 3.48Å; F19-T23 WeakPolarHBondContact O-CG2 3.46Å; F19-T23 PolarHBondContact O-N 2.99Å; F19-T23 PolarHBondContact O-OG1 2.88Å; F19-Y38 HydrophobicContact CB-CD1 4.14Å; F19-Y38 HydrophobicContact CB-CE1 4.43Å; F19-Y38 AromaticContact CD1-CD1 3.65Å; F19-Y38 HydrophobicContact CD1-CD1 3.65Å; F19-Y38 AromaticContact CD1-CE1 3.79Å; F19-Y38 HydrophobicContact CD1-CE1 3.79Å; F19-Y38 HydrophobicContact CE1-CD1 4.43Å; F19-Y38 HydrophobicContact CE1-CE1 4.29Å; F19-Y38 HydrophobicContact CG-CD1 4.12Å; F19-Y38 HydrophobicContact CG-CE1 4.12Å; F19-L113 HydrophobicContact CE1-CD2 4.01Å; F19-L113 HydrophobicContact CZ-CD2 3.58Å; F19-F115 HydrophobicContact CE2-CB 3.52Å; F19-F115 HydrophobicContact CE2-CD1 4.39Å; F19-F115 HydrophobicContact CE2-CG 4.1Å; F19-F115 HydrophobicContact CZ-CB 3.51Å; F19-V204 HydrophobicContact CE2-CG2 4.15Å
20R98.1Very high97.4Very high121 Ų12150.6 Ų50.646%0.45725%0.245SC..Hα-helixtrans-61.6-37.4173.1-177.5179.6179-82.98.2112.5G16 S17 T23 G24 Y38G16-R20 WeakPolarHBondContact O-CB 3.35Å; G16-R20 PolarHBondContact O-N 3.37Å; S17-R20 WeakPolarHBondContact O-CB 3.22Å; S17-R20 PolarHBondContact O-N 3.3Å; R20-T23 PolarHBondContact O-OG1 3.47Å; R20-G24 PolarHBondContact O-N 2.79Å; R20-Y38 VanDerWaalsContact CA-CE1 3.46Å; R20-Y38 HydrophobicContact CB-CD1 3.94Å; R20-Y38 HydrophobicContact CB-CD2 3.8Å; R20-Y38 HydrophobicContact CB-CE1 3.98Å; R20-Y38 HydrophobicContact CB-CE2 3.84Å; R20-Y38 HydrophobicContact CB-CG 3.86Å; R20-Y38 HydrophobicContact CG-CD2 3.9Å; R20-Y38 HydrophobicContact CG-CE2 3.69Å; R20-Y38 HydrophobicContact CG-CG 4.47Å
21E97.1Very high97.2Very high138 Ų13857.7 Ų57.765%0.64528%0.276SS*.Hα-helixtrans-67.1-51.8174.4-69.8176.4175.700111.5S17 S18 F19 T23 G24S17-E21 PolarHBondContact O-N 3.01Å; S18-E21 PolarHBondContact O-N 2.89Å; F19-E21 VanDerWaalsContact C-N 3.3Å; F19-E21 PolarHBondContact O-N 2.81Å; E21-T23 PolarHBondContact O-N 2.94Å; E21-T23 VanDerWaalsContact O-N 3.16Å; E21-G24 PolarHBondContact O-N 3.42Å
22K95.8Very high97.1Very high132 Ų13265.4 Ų65.457%0.57431%0.309SS*.Hα-helixtrans-59.1-29.3178.8-74.8-180-178.8-176.80113.4S18 F19S18-K22 WeakPolarHBondContact O-CB 3.34Å; S18-K22 WeakPolarHBondContact O-CG 3.41Å; S18-K22 PolarHBondContact O-N 3.5Å; F19-K22 PolarHBondContact O-N 3.07Å
23T97.6Very high97Very high2 Ų264.8 Ų64.81%0.01231%0.308CS..THydrogen-bonded Turntrans-96.311.2177.754.90000113.4F19 R20 E21 A25 L26 R27 Y38 V204F19-T23 HydrophobicContact CD2-CG2 3.83Å; F19-T23 HydrophobicContact CE2-CG2 3.46Å; F19-T23 VanDerWaalsContact CE2-CG2 3.46Å; F19-T23 HydrophobicContact CZ-CG2 3.98Å; F19-T23 WeakPolarHBondContact O-CB 3.48Å; F19-T23 WeakPolarHBondContact O-CG2 3.46Å; F19-T23 PolarHBondContact O-N 2.99Å; F19-T23 PolarHBondContact O-OG1 2.88Å; R20-T23 PolarHBondContact O-OG1 3.47Å; E21-T23 PolarHBondContact O-N 2.94Å; E21-T23 VanDerWaalsContact O-N 3.16Å; T23-A25 VanDerWaalsContact C-N 3.29Å; T23-A25 PolarHBondContact O-N 3.46Å; T23-L26 WeakPolarHBondContact O-CB 3.49Å; T23-L26 PolarHBondContact O-N 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.33Å; T23-R27 PolarHBondContact O-N 2.88Å; T23-Y38 WeakPolarHBondContact OG1-CE1 3.48Å; T23-Y38 PolarHBondContact OG1-OH 2.76Å; T23-V204 HydrophobicContact CG2-CB 4.3Å; T23-V204 HydrophobicContact CG2-CG1 4.31Å; T23-V204 HydrophobicContact CG2-CG2 4.01Å
24G97.8Very high97Very high28 Ų2858.3 Ų58.329%0.28929%0.285SS..Hα-helixtrans-56.4-38.9-18000000114R20 E21 R27 K28R20-G24 PolarHBondContact O-N 2.79Å; E21-G24 PolarHBondContact O-N 3.42Å; G24-R27 PolarHBondContact O-N 2.96Å; G24-K28 PolarHBondContact O-N 3.45Å
25A97.6Very high97.1Very high64 Ų6461.7 Ų61.753%0.52930%0.3SS..Hα-helixtrans-65.3-43.8174.900000112T23 K28 L29 A206T23-A25 VanDerWaalsContact C-N 3.29Å; T23-A25 PolarHBondContact O-N 3.46Å; A25-K28 PolarHBondContact O-N 3.42Å; A25-L29 WeakPolarHBondContact O-CB 3.14Å; A25-L29 PolarHBondContact O-N 3.37Å; A25-A206 HydrophobicContact CB-CB 3.59Å
26L97.6Very high97.1Very high3 Ų362.2 Ų62.22%0.01630%0.303CS..Hα-helixtrans-63.4-44.8176.5-175.771000111T23 K28 L29 L30 L36 L113 V204 A206 Y214T23-L26 WeakPolarHBondContact O-CB 3.49Å; T23-L26 PolarHBondContact O-N 3.24Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.45Å; L26-L29 HydrophobicContact CD1-CD2 4.48Å; L26-L29 WeakPolarHBondContact O-CB 3.41Å; L26-L29 PolarHBondContact O-N 3.17Å; L26-L30 HydrophobicContact CD1-CD1 3.6Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 4.09Å; L26-L30 PolarHBondContact O-N 3.48Å; L26-L36 HydrophobicContact CD2-CD1 4.49Å; L26-L113 HydrophobicContact CD2-CD1 3.85Å; L26-V204 HydrophobicContact CB-CG1 4.49Å; L26-V204 HydrophobicContact CD2-CG1 3.78Å; L26-A206 HydrophobicContact CB-CB 4.12Å; L26-Y214 HydrophobicContact CD1-CD2 4.22Å; L26-Y214 HydrophobicContact CD1-CE1 4.45Å; L26-Y214 HydrophobicContact CD1-CE2 3.87Å
27R97.4Very high97.2Very high87 Ų8762.8 Ų62.833%0.32831%0.305SS..Hα-helixtrans-55.3-46.2174.5-74.2176.458.5-133.6-5.4111.4T23 G24 L29 K31 L36 Y38T23-R27 WeakPolarHBondContact O-CG 3.33Å; T23-R27 PolarHBondContact O-N 2.88Å; G24-R27 PolarHBondContact O-N 2.96Å; R27-L29 VanDerWaalsContact C-N 3.35Å; R27-K31 WeakPolarHBondContact O-CA 3.28Å; R27-K31 WeakPolarHBondContact O-CB 3.29Å; R27-K31 PolarHBondContact O-N 3.41Å; R27-L36 HydrophobicContact CG-CB 4.41Å; R27-L36 HydrophobicContact CG-CD1 3.68Å; R27-L36 HydrophobicContact CG-CG 4.26Å; R27-Y38 VanDerWaalsContact CD-OH 3.24Å; R27-Y38 WeakPolarHBondContact CD-OH 3.48Å; R27-Y38 WeakPolarHBondContact CG-OH 3.36Å
28K97.1Very high97.2Very high167 Ų16761.8 Ų61.873%0.72629%0.293SS*.Hα-helixtrans-64.6-40.4176.1-174.4178.6179.7179.80111.7G24 A25 L26G24-K28 PolarHBondContact O-N 3.45Å; A25-K28 PolarHBondContact O-N 3.42Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.45Å
29L96.6Very high97.3Very high19 Ų1961.3 Ų61.310%0.09929%0.289CS..Hα-helixtrans-63.4-40.4-179-166.776.8000112.2A25 L26 R27 R211A25-L29 WeakPolarHBondContact O-CB 3.14Å; A25-L29 PolarHBondContact O-N 3.37Å; L26-L29 HydrophobicContact CD1-CD2 4.48Å; L26-L29 WeakPolarHBondContact O-CB 3.41Å; L26-L29 PolarHBondContact O-N 3.17Å; R27-L29 VanDerWaalsContact C-N 3.35Å; L29-R211 HydrophobicContact CD1-CB 4.09Å; L29-R211 HydrophobicContact CD1-CG 4.34Å; L29-R211 VanDerWaalsContact CD1-NE 3.31Å; L29-R211 HydrophobicContact CD2-CB 4.06Å; L29-R211 HydrophobicContact CD2-CG 4.49Å; L29-R211 HydrophobicContact CG-CB 4.1Å; L29-R211 HydrophobicContact CG-CG 4.13Å
30L96.4Very high97.3Very high2 Ų263.6 Ų63.61%0.0130%0.303CS..THydrogen-bonded Turntrans-113.517.7-171.5-59.6178.5000113.8L26 K32 Q33 L34 Y214 Q215 L218L26-L30 HydrophobicContact CD1-CD1 3.6Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 4.09Å; L26-L30 PolarHBondContact O-N 3.48Å; L30-K32 PolarHBondContact O-N 2.86Å; L30-Q33 WeakPolarHBondContact O-CA 3.48Å; L30-Q33 PolarHBondContact O-N 2.96Å; L30-L34 HydrophobicContact CB-CD1 4.23Å; L30-L34 HydrophobicContact CB-CG 4.28Å; L30-L34 HydrophobicContact CD1-CD1 3.76Å; L30-L34 PolarHBondContact O-N 2.99Å; L30-Y214 HydrophobicContact CD1-CD1 4.18Å; L30-Y214 HydrophobicContact CD1-CD2 4.36Å; L30-Y214 HydrophobicContact CD1-CG 3.87Å; L30-Q215 HydrophobicContact CD2-CG 4.16Å; L30-L218 HydrophobicContact CD1-CD1 4.28Å
31K95.3Very high97.3Very high149 Ų14957.9 Ų57.965%0.64828%0.282SS*.THydrogen-bonded Turntrans-56-20.7-175.270.3177.8-175.2173.40115.7R27R27-K31 WeakPolarHBondContact O-CA 3.28Å; R27-K31 WeakPolarHBondContact O-CB 3.29Å; R27-K31 PolarHBondContact O-N 3.41Å
32K95.1Very high97.4Very high161 Ų16154 Ų5470%0.727%0.268SS*.THydrogen-bonded Turntrans-89.3-21.3176.7-66.2-172.9178.9-175.10112.2L30L30-K32 PolarHBondContact O-N 2.86Å
33Q96.6Very high97.4Very high27 Ų2748.3 Ų48.313%0.12624%0.244CC..THydrogen-bonded Turntrans-98.9-37.2-176.6-69.37442.600112.6P3 L4 L30 Q215 L218P3-Q33 WeakPolarHBondContact CA-O 3.38Å; L4-Q33 PolarHBondContact N-O 3.34Å; L30-Q33 WeakPolarHBondContact O-CA 3.48Å; L30-Q33 PolarHBondContact O-N 2.96Å; Q33-Q215 HydrophobicContact CG-CG 4.2Å; Q33-L218 HydrophobicContact CB-CD1 3.96Å
34L96.7Very high97.3Very high14 Ų1450.7 Ų50.77%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-127.3139.5-168.8-61.3-175.9000113L4 V6 L30 L36 L218L4-L34 HydrophobicContact CB-CD2 3.94Å; L4-L34 HydrophobicContact CD1-CD2 4.45Å; L4-L34 CarbonylContact O-C 3.57Å; L4-L34 WeakPolarHBondContact O-CA 3.27Å; V6-L34 HydrophobicContact CG2-CD2 3.68Å; L30-L34 HydrophobicContact CB-CD1 4.23Å; L30-L34 HydrophobicContact CB-CG 4.28Å; L30-L34 HydrophobicContact CD1-CD1 3.76Å; L30-L34 PolarHBondContact O-N 2.99Å; L34-L36 HydrophobicContact CB-CD2 3.89Å; L34-L36 HydrophobicContact CB-CG 4.38Å; L34-L36 HydrophobicContact CD1-CD2 3.83Å; L34-L36 HydrophobicContact CG-CD2 4.42Å; L34-L218 HydrophobicContact CD1-CD1 3.88Å; L34-L218 HydrophobicContact CD2-CD1 3.69Å; L34-L218 HydrophobicContact CD2-CD2 3.67Å; L34-L218 HydrophobicContact CD2-CG 4.3Å; L34-L218 HydrophobicContact CG-CD1 3.73Å
35E97.9Very high97.1Very high83 Ų8349.6 Ų49.639%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-104.8112.4155.9179.6-169.3138.800107.6P3 L4 R5 V6 V37P3-E35 HydrophobicContact CB-CB 4.34Å; L4-E35 PolarHBondContact O-N 2.74Å; R5-E35 WeakPolarHBondContact CA-O 3.35Å; R5-E35 HydrophobicContact CG-CB 4.22Å; R5-E35 IonicContact CZ-OE1 2.86Å; R5-E35 IonicContact NE-OE1 3.8Å; R5-E35 PolarHBondContact NE-OE1 3.22Å; R5-E35 IonicContact NE-OE2 2.82Å; R5-E35 IonicContact NH2-OE1 3.92Å; V6-E35 PolarHBondContact N-O 3.31Å; E35-V37 HydrophobicContact CG-CG2 4.47Å
36L98.5Very high96.3Very high23 Ų2352.6 Ų52.612%0.1225%0.249CC..EExtended strand (participates in β ladder)trans-93.6122-179.6-61.2-167.2000110.4V6 L26 R27 L34 Y38V6-L36 HydrophobicContact CB-CD2 3.77Å; V6-L36 HydrophobicContact CG1-CD2 4.11Å; L26-L36 HydrophobicContact CD2-CD1 4.49Å; R27-L36 HydrophobicContact CG-CB 4.41Å; R27-L36 HydrophobicContact CG-CD1 3.68Å; R27-L36 HydrophobicContact CG-CG 4.26Å; L34-L36 HydrophobicContact CB-CD2 3.89Å; L34-L36 HydrophobicContact CB-CG 4.38Å; L34-L36 HydrophobicContact CD1-CD2 3.83Å; L34-L36 HydrophobicContact CG-CD2 4.42Å; L36-Y38 HydrophobicContact CB-CE2 3.54Å; L36-Y38 WeakPolarHBondContact CB-OH 3.34Å; L36-Y38 VanDerWaalsContact CD1-OH 3.23Å; L36-Y38 WeakPolarHBondContact CD1-OH 3.38Å; L36-Y38 WeakPolarHBondContact O-CE2 3.37Å
37V98.7Very high94.9Very high17 Ų1756.6 Ų56.610%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-112.2126.2178.2-179.20000108.7V6 L7 C8 E35 F109V6-V37 PolarHBondContact O-N 3.37Å; L7-V37 CarbonylContact C-O 3.51Å; L7-V37 WeakPolarHBondContact CA-O 3.49Å; C8-V37 WeakPolarHBondContact CB-O 3.17Å; C8-V37 PolarHBondContact N-O 3.09Å; E35-V37 HydrophobicContact CG-CG2 4.47Å; V37-F109 HydrophobicContact CB-CE1 3.74Å; V37-F109 HydrophobicContact CB-CZ 4.33Å; V37-F109 HydrophobicContact CG1-CE1 3.94Å; V37-F109 HydrophobicContact CG1-CZ 4.05Å; V37-F109 HydrophobicContact CG2-CE1 3.87Å
38Y98.7Very high93.1Very high32 Ų3261.5 Ų61.513%0.12530%0.301CS..EExtended strand (participates in β ladder)trans-111.1133.6-170.5-61.4-100.3000110.1C8 F19 R20 T23 R27 L36C8-Y38 HydrophobicContact CB-CD1 3.47Å; C8-Y38 VanDerWaalsContact CB-CD1 3.47Å; C8-Y38 HydrophobicContact CB-CE1 3.64Å; C8-Y38 HydrophobicContact CB-CG 3.96Å; F19-Y38 HydrophobicContact CB-CD1 4.14Å; F19-Y38 HydrophobicContact CB-CE1 4.43Å; F19-Y38 AromaticContact CD1-CD1 3.65Å; F19-Y38 HydrophobicContact CD1-CD1 3.65Å; F19-Y38 AromaticContact CD1-CE1 3.79Å; F19-Y38 HydrophobicContact CD1-CE1 3.79Å; F19-Y38 HydrophobicContact CE1-CD1 4.43Å; F19-Y38 HydrophobicContact CE1-CE1 4.29Å; F19-Y38 HydrophobicContact CG-CD1 4.12Å; F19-Y38 HydrophobicContact CG-CE1 4.12Å; R20-Y38 VanDerWaalsContact CA-CE1 3.46Å; R20-Y38 HydrophobicContact CB-CD1 3.94Å; R20-Y38 HydrophobicContact CB-CD2 3.8Å; R20-Y38 HydrophobicContact CB-CE1 3.98Å; R20-Y38 HydrophobicContact CB-CE2 3.84Å; R20-Y38 HydrophobicContact CB-CG 3.86Å; R20-Y38 HydrophobicContact CG-CD2 3.9Å; R20-Y38 HydrophobicContact CG-CE2 3.69Å; R20-Y38 HydrophobicContact CG-CG 4.47Å; T23-Y38 WeakPolarHBondContact OG1-CE1 3.48Å; T23-Y38 PolarHBondContact OG1-OH 2.76Å; R27-Y38 VanDerWaalsContact CD-OH 3.24Å; R27-Y38 WeakPolarHBondContact CD-OH 3.48Å; R27-Y38 WeakPolarHBondContact CG-OH 3.36Å; L36-Y38 HydrophobicContact CB-CE2 3.54Å; L36-Y38 WeakPolarHBondContact CB-OH 3.34Å; L36-Y38 VanDerWaalsContact CD1-OH 3.23Å; L36-Y38 WeakPolarHBondContact CD1-OH 3.38Å; L36-Y38 WeakPolarHBondContact O-CE2 3.37Å
39I98.6Very high90.8Very high17 Ų1762.2 Ų62.29%0.08731%0.306CS..EExtended strand (participates in β ladder)trans-116.6157.7171.358.8163.8000110.1L7 C8 I9 H10 W70 V99 A102L7-I39 HydrophobicContact CD1-CB 4.43Å; L7-I39 HydrophobicContact CD1-CD1 4.22Å; L7-I39 HydrophobicContact CD1-CG1 3.97Å; L7-I39 HydrophobicContact CD1-CG2 3.68Å; L7-I39 HydrophobicContact CD2-CD1 4.42Å; C8-I39 PolarHBondContact O-N 3.41Å; I9-I39 HydrophobicContact CD1-CD1 3.73Å; I9-I39 HydrophobicContact CD1-CG1 3.89Å; H10-I39 PolarHBondContact CD2-O 3.1Å; I39-W70 HydrophobicContact CD1-CH2 3.72Å; I39-W70 HydrophobicContact CD1-CZ3 4.3Å; I39-W70 HydrophobicContact CG1-CH2 3.92Å; I39-V99 HydrophobicContact CD1-CG2 3.96Å; I39-A102 HydrophobicContact CD1-CB 4.31Å; I39-A102 HydrophobicContact CG2-CB 3.73Å
40T98.5Very high88.3Confident50 Ų5065.5 Ų65.531%0.30734%0.336SS..  trans-105.2130.1179.1-67.20000108.8N15 G16 R68N15-T40 HydrophobicContact CB-CG2 3.82Å; G16-T40 PolarHBondContact N-OG1 2.99Å; T40-R68 HydrophobicContact CG2-CB 4.37Å; T40-R68 HydrophobicContact CG2-CG 3.61Å
41A98.4Very high85.6Confident1 Ų171.2 Ų71.21%0.00837%0.374CS..  trans-63.1149.1178.600000111H10 L43 R68 G69 W70H10-A41 WeakPolarHBondContact NE2-CB 3.44Å; H10-A41 PolarHBondContact NE2-N 3.45Å; A41-L43 PolarHBondContact O-N 2.91Å; A41-R68 HydrophobicContact CB-CB 4.01Å; A41-R68 VanDerWaalsContact O-CD 3.29Å; A41-R68 WeakPolarHBondContact O-CD 3.44Å; A41-R68 WeakPolarHBondContact O-CG 3.23Å; A41-G69 WeakPolarHBondContact CB-O 3.44Å; A41-W70 HydrophobicContact CB-CD2 3.46Å; A41-W70 VanDerWaalsContact CB-CD2 3.46Å; A41-W70 HydrophobicContact CB-CE3 3.57Å; A41-W70 HydrophobicContact CB-CG 4.05Å; A41-W70 HydrophobicContact CB-CH2 3.87Å; A41-W70 HydrophobicContact CB-CZ2 3.75Å; A41-W70 HydrophobicContact CB-CZ3 3.79Å
42P97.8Very high83.2Confident55 Ų5571 Ų7136%0.35738%0.379SS..SBendtrans-77.5-20.4-171.929.9-34.7000113.7D94 S95 A98P42-D94 HydrophobicContact CB-CB 4.46Å; P42-D94 HydrophobicContact CG-CB 3.96Å; P42-S95 WeakPolarHBondContact CD-OG 3.47Å; P42-A98 HydrophobicContact CG-CB 4.42Å
43L97.4Very high80.7Confident13 Ų1371.9 Ų71.97%0.06839%0.386CS..EExtended strand (participates in β ladder)trans-89.8117.2-171-42.9178.2000111.4A41 V45 R68 G69 W70 F72 D94A41-L43 PolarHBondContact O-N 2.91Å; L43-V45 PolarHBondContact O-N 2.83Å; L43-R68 CarbonylContact O-C 3.51Å; L43-R68 WeakPolarHBondContact O-CA 3.34Å; L43-R68 WeakPolarHBondContact O-CD 3.47Å; L43-G69 VanDerWaalsContact CB-O 3.24Å; L43-G69 WeakPolarHBondContact CB-O 3.3Å; L43-G69 WeakPolarHBondContact CG-O 3.48Å; L43-G69 PolarHBondContact N-O 2.83Å; L43-G69 PolarHBondContact O-N 2.83Å; L43-W70 WeakPolarHBondContact CD1-O 3.47Å; L43-F72 HydrophobicContact CB-CE1 4.21Å; L43-F72 HydrophobicContact CB-CE2 3.83Å; L43-F72 HydrophobicContact CB-CZ 3.51Å; L43-F72 HydrophobicContact CD1-CD2 4.27Å; L43-F72 HydrophobicContact CD1-CE1 4.41Å; L43-F72 HydrophobicContact CD1-CE2 4.12Å; L43-F72 HydrophobicContact CD1-CZ 4.2Å; L43-D94 HydrophobicContact CD2-CB 4.39Å
44T95.4Very high78.3Confident53 Ų5378.8 Ų78.833%0.32542%0.418SS..EExtended strand (participates in β ladder)trans-68.3125.2168.9-55.40000111.1R68 F72T44-R68 PolarHBondContact OG1-NH1 3.21Å; T44-F72 WeakPolarHBondContact O-CZ 3.34Å
45V92.4Very high75.8Confident4 Ų485.2 Ų85.22%0.02445%0.453CS..PPolyproline II helixtrans-83.7126.4171.5-178.20000108.5Y12 R13 L43 T47 P67 F72Y12-V45 HydrophobicContact CD2-CG2 4.11Å; Y12-V45 HydrophobicContact CE2-CB 4.43Å; Y12-V45 HydrophobicContact CE2-CG1 4.12Å; Y12-V45 HydrophobicContact CE2-CG2 3.41Å; Y12-V45 VanDerWaalsContact CE2-CG2 3.41Å; Y12-V45 VanDerWaalsContact OH-CG1 3.26Å; Y12-V45 WeakPolarHBondContact OH-CG1 3.44Å; R13-V45 HydrophobicContact CG-CG1 4.08Å; R13-V45 HydrophobicContact CG-CG2 4.44Å; L43-V45 PolarHBondContact O-N 2.83Å; V45-T47 PolarHBondContact O-N 3.25Å; V45-P67 HydrophobicContact CB-CB 4.14Å; V45-P67 HydrophobicContact CB-CG 4.2Å; V45-P67 PolarHBondContact N-O 2.84Å; V45-F72 HydrophobicContact CG2-CE1 4.12Å; V45-F72 HydrophobicContact CG2-CZ 4.43Å
46Q82Confident72.9Confident127 Ų12785.8 Ų85.859%0.59347%0.466SS*.PPolyproline II helixtrans-72.2118.5170.9-69-175.9-900108.8
47T68.4Low70.2Confident87 Ų8790.8 Ų90.853%0.53450%0.503SS..PPolyproline II helixtrans-86.6126.6160.547.60000106.6V45 E49 P67V45-T47 PolarHBondContact O-N 3.25Å; T47-E49 PolarHBondContact O-N 3.31Å; T47-E49 VanDerWaalsContact O-N 3.09Å; T47-P67 HydrophobicContact CG2-CG 3.86Å
48E59.1Low67.4Low191 Ų19195.3 Ų95.389%0.89353%0.531SS*.PPolyproline II helixtrans-47.8123.4169.1-67.7-174.2168.400108.2A50E48-A50 PolarHBondContact O-N 2.94Å
49E48.9Very low64.5Low181 Ų18199.5 Ų99.585%0.84656%0.562SS**PPolyproline II helixtrans-54.5117.7178.5-67.8178.817100107.6T47 P51T47-E49 PolarHBondContact O-N 3.31Å; T47-E49 VanDerWaalsContact O-N 3.09Å; E49-P51 WeakPolarHBondContact O-CD 3.47Å; E49-P51 VanDerWaalsContact O-N 3.16Å
50A42.8Very low61.7Low88 Ų88103 Ų10373%0.72759%0.593SS**PPolyproline II helixtrans-55.6124.3167.500000107E48 N52E48-A50 PolarHBondContact O-N 2.94Å; A50-N52 PolarHBondContact O-N 2.87Å
51P40.5Very low58.8Low123 Ų123105.9 Ų105.980%0.79962%0.622SS**SBendtrans-64.3117.6-177.124.4-31.6000108.9E49E49-P51 WeakPolarHBondContact O-CD 3.47Å; E49-P51 VanDerWaalsContact O-N 3.16Å
52N45.4Very low55.8Low143 Ų143109 Ų10977%0.76566%0.655SS**  trans56.7100.2168.9-64.7-7.3000117.3A50A50-N52 PolarHBondContact O-N 2.87Å
53Q41.5Very low53.2Low180 Ų180109.8 Ų109.884%0.84167%0.672SS**  trans-122.979.4137.8-73.1-164.34.600109.5
54E45.7Very low51.1Low172 Ų172116.8 Ų116.880%0.80471%0.71SS**  trans-59.6134.6148.3-71.2-175.1155.300107.8
55N45.2Very low49.7Very low150 Ų150119.4 Ų119.480%0.80272%0.718SS**  trans76.784.2178.7-64.4-25.6000117.8
56S37.6Very low49.4Very low95 Ų95124.1 Ų124.166%0.66474%0.74SS**  trans-154.990.3134.3-78.20000110V58S56-V58 PolarHBondContact O-N 3.06Å
57S41.3Very low50Low127 Ų127119.7 Ų119.789%0.88872%0.722SS**  trans-74.365.7167.4460000110.5
58V40.5Very low51.3Low113 Ų113117.9 Ų117.969%0.68571%0.706SS**  trans-124112.5165.8-152.70000106.2S56 A60S56-V58 PolarHBondContact O-N 3.06Å; V58-A60 PolarHBondContact O-N 2.79Å
59P37.5Very low53.2Low120 Ų120108.8 Ų108.878%0.77966%0.663SS**  trans-66.6109.6171.723.4-21.9000106.5A61P59-A61 PolarHBondContact O-N 2.85Å
60A40.4Very low55.6Low89 Ų89100.1 Ų100.174%0.73662%0.623SS**  trans-60.7102.5171.200000107.6V58 G62V58-A60 PolarHBondContact O-N 2.79Å; A60-G62 PolarHBondContact O-N 3.18Å
61A37.2Very low58.2Low111 Ų11196 Ų9692%0.91759%0.588SS**  trans-71.592.6174.800000108.5P59P59-A61 PolarHBondContact O-N 2.85Å
62G35.6Very low61Low68 Ų6890.2 Ų90.270%0.70155%0.551SS**SBendtrans146.571.516800000116.7A60 D64A60-G62 PolarHBondContact O-N 3.18Å; G62-D64 PolarHBondContact O-N 3.06Å
63G43.3Very low63.4Low70 Ų7083.7 Ų83.772%0.72252%0.516SS*.  trans6542.3141.100000120.1E65G63-E65 PolarHBondContact O-N 3.14Å
64D52.5Low66Low161 Ų16177.5 Ų77.586%0.86149%0.489SS*.  trans-76.276.8164.4-85.7-30000110.1G62 E66G62-D64 PolarHBondContact O-N 3.06Å; D64-E66 PolarHBondContact O-N 3.38Å
65E66.2Low68.2Low107 Ų10773.2 Ų73.250%0.547%0.471SS..PPolyproline II helixtrans-62.8127.9165.3-84.8-175.9-169.900109.2N15 G63N15-E65 HydrophobicContact CB-CB 4.44Å; N15-E65 WeakPolarHBondContact ND2-CB 3.33Å; N15-E65 PolarHBondContact ND2-O 3.4Å; G63-E65 PolarHBondContact O-N 3.14Å
66E86.6Confident70.4Confident104 Ų10475.1 Ų75.149%0.48648%0.475SS..PPolyproline II helixtrans-52.3150.2179.9-70.4171175.600113.1D64 R68D64-E66 PolarHBondContact O-N 3.38Å; E66-R68 IonicContact OE2-CZ 3.65Å; E66-R68 VanDerWaalsContact OE2-CZ 3.26Å; E66-R68 IonicContact OE2-NH1 3.51Å; E66-R68 PolarHBondContact OE2-NH1 2.72Å; E66-R68 IonicContact OE2-NH2 2.94Å; E66-R68 PolarHBondContact OE2-NH2 2.77Å
67P93.1Very high73Confident34 Ų3472.9 Ų72.922%0.22146%0.462CS..PPolyproline II helixtrans-63.6138.117825.5-33000111.8R13 V45 T47R13-P67 HydrophobicContact CB-CB 4.16Å; R13-P67 HydrophobicContact CG-CB 4.34Å; V45-P67 HydrophobicContact CB-CB 4.14Å; V45-P67 HydrophobicContact CB-CG 4.2Å; V45-P67 PolarHBondContact N-O 2.84Å; T47-P67 HydrophobicContact CG2-CG 3.86Å
68R97.3Very high75.5Confident48 Ų4871.5 Ų71.518%0.18144%0.437CS..EExtended strand (participates in β ladder)trans-123.3162-179.6-57.2-72.8-176.8-111.56.6113.2R13 Q14 N15 T40 A41 L43 T44 E66R13-R68 PolarHBondContact N-O 2.93Å; Q14-R68 WeakPolarHBondContact O-CA 3.4Å; Q14-R68 WeakPolarHBondContact O-CB 3.13Å; Q14-R68 PolarHBondContact O-N 3.09Å; N15-R68 HydrophobicContact CB-CG 4.47Å; T40-R68 HydrophobicContact CG2-CB 4.37Å; T40-R68 HydrophobicContact CG2-CG 3.61Å; A41-R68 HydrophobicContact CB-CB 4.01Å; A41-R68 VanDerWaalsContact O-CD 3.29Å; A41-R68 WeakPolarHBondContact O-CD 3.44Å; A41-R68 WeakPolarHBondContact O-CG 3.23Å; L43-R68 CarbonylContact O-C 3.51Å; L43-R68 WeakPolarHBondContact O-CA 3.34Å; L43-R68 WeakPolarHBondContact O-CD 3.47Å; T44-R68 PolarHBondContact OG1-NH1 3.21Å; E66-R68 IonicContact OE2-CZ 3.65Å; E66-R68 VanDerWaalsContact OE2-CZ 3.26Å; E66-R68 IonicContact OE2-NH1 3.51Å; E66-R68 PolarHBondContact OE2-NH1 2.72Å; E66-R68 IonicContact OE2-NH2 2.94Å; E66-R68 PolarHBondContact OE2-NH2 2.77Å
69G97.9Very high78.1Confident0 Ų067.6 Ų67.60%042%0.415CS..EExtended strand (participates in β ladder)trans-143.6160.9174.400000112.3A41 L43A41-G69 WeakPolarHBondContact CB-O 3.44Å; L43-G69 VanDerWaalsContact CB-O 3.24Å; L43-G69 WeakPolarHBondContact CB-O 3.3Å; L43-G69 WeakPolarHBondContact CG-O 3.48Å; L43-G69 PolarHBondContact N-O 2.83Å; L43-G69 PolarHBondContact O-N 2.83Å
70W98.6Very high80.9Confident0 Ų063 Ų630%038%0.383CS..SBendtrans-92.8-32.1-177.9-63.6101.9000113.4I9 H10 I39 A41 L43 S95 V99 Q117 F121I9-W70 HydrophobicContact CB-CZ2 4.21Å; I9-W70 HydrophobicContact CD1-CH2 4.19Å; I9-W70 HydrophobicContact CD1-CZ2 4.38Å; I9-W70 HydrophobicContact CG2-CD2 4.02Å; I9-W70 HydrophobicContact CG2-CH2 4.05Å; I9-W70 HydrophobicContact CG2-CZ2 3.37Å; H10-W70 AromaticContact CD2-CZ2 3.85Å; H10-W70 AromaticContact CE1-NE1 3.95Å; H10-W70 AromaticContact ND1-NE1 3.88Å; H10-W70 AromaticContact NE2-CZ2 3.9Å; H10-W70 PolarHBondContact O-NE1 3Å; I39-W70 HydrophobicContact CD1-CH2 3.72Å; I39-W70 HydrophobicContact CD1-CZ3 4.3Å; I39-W70 HydrophobicContact CG1-CH2 3.92Å; A41-W70 HydrophobicContact CB-CD2 3.46Å; A41-W70 VanDerWaalsContact CB-CD2 3.46Å; A41-W70 HydrophobicContact CB-CE3 3.57Å; A41-W70 HydrophobicContact CB-CG 4.05Å; A41-W70 HydrophobicContact CB-CH2 3.87Å; A41-W70 HydrophobicContact CB-CZ2 3.75Å; A41-W70 HydrophobicContact CB-CZ3 3.79Å; L43-W70 WeakPolarHBondContact CD1-O 3.47Å; W70-S95 WeakPolarHBondContact CA-OG 3.42Å; W70-S95 VanDerWaalsContact O-CB 3.31Å; W70-S95 WeakPolarHBondContact O-CB 3.41Å; W70-S95 PolarHBondContact O-OG 2.89Å; W70-V99 HydrophobicContact CZ3-CG2 4.46Å; W70-Q117 HydrophobicContact CB-CG 4.41Å; W70-F121 HydrophobicContact CB-CB 4.44Å; W70-F121 HydrophobicContact CB-CD1 4.17Å; W70-F121 HydrophobicContact CB-CG 4.3Å; W70-F121 AromaticContact CD2-CD1 3.57Å; W70-F121 HydrophobicContact CD2-CD1 3.57Å; W70-F121 AromaticContact CD2-CE1 3.92Å; W70-F121 HydrophobicContact CD2-CE1 3.92Å; W70-F121 HydrophobicContact CD2-CG 4.49Å; W70-F121 AromaticContact CE3-CD1 3.49Å; W70-F121 HydrophobicContact CE3-CD1 3.49Å; W70-F121 VanDerWaalsContact CE3-CD1 3.49Å; W70-F121 AromaticContact CE3-CE1 3.31Å; W70-F121 HydrophobicContact CE3-CE1 3.31Å; W70-F121 HydrophobicContact CE3-CZ 4.32Å; W70-F121 HydrophobicContact CG-CB 4.44Å; W70-F121 AromaticContact CG-CD1 3.88Å; W70-F121 HydrophobicContact CG-CD1 3.88Å; W70-F121 HydrophobicContact CG-CG 4.37Å; W70-F121 HydrophobicContact CZ3-CD1 4.11Å; W70-F121 AromaticContact CZ3-CE1 3.68Å; W70-F121 HydrophobicContact CZ3-CE1 3.68Å
71W98.6Very high83.6Confident1 Ų161.4 Ų61.40%0.00437%0.366CS..  trans-153164.7167.272.694.4000109F80 S90 L92 Q117 A120 F121 M124 F148 H155W71-F80 AromaticContact CE2-CD2 3.81Å; W71-F80 AromaticContact CE2-CE2 3.53Å; W71-F80 HydrophobicContact CH2-CE2 4.17Å; W71-F80 HydrophobicContact CH2-CZ 4.48Å; W71-F80 HydrophobicContact CZ2-CD2 4.06Å; W71-F80 AromaticContact CZ2-CE2 3.32Å; W71-F80 HydrophobicContact CZ2-CE2 3.32Å; W71-F80 AromaticContact CZ2-CZ 3.97Å; W71-F80 HydrophobicContact CZ2-CZ 3.97Å; W71-F80 AromaticContact NE1-CD2 3.63Å; W71-F80 AromaticContact NE1-CE2 3.62Å; W71-S90 CarbonylContact C-O 3.53Å; W71-S90 VanDerWaalsContact CA-O 3.26Å; W71-S90 WeakPolarHBondContact CA-O 3.36Å; W71-L92 HydrophobicContact CB-CB 4.44Å; W71-Q117 HydrophobicContact CD2-CG 4.46Å; W71-Q117 HydrophobicContact CE3-CG 3.88Å; W71-Q117 HydrophobicContact CH2-CG 3.51Å; W71-Q117 HydrophobicContact CZ2-CG 4.14Å; W71-Q117 HydrophobicContact CZ3-CG 3.35Å; W71-Q117 WeakPolarHBondContact CZ3-O 3.36Å; W71-Q117 PolarHBondContact O-NE2 3.22Å; W71-A120 HydrophobicContact CH2-CB 3.75Å; W71-F121 HydrophobicContact CZ3-CB 3.98Å; W71-M124 HydrophobicContact CH2-CE 4.37Å; W71-M124 HydrophobicContact CZ2-CE 4.49Å; W71-F148 HydrophobicContact CH2-CZ 4.32Å; W71-F148 HydrophobicContact CZ2-CE2 4.44Å; W71-F148 HydrophobicContact CZ2-CZ 4.47Å; W71-H155 AromaticContact CD1-CE1 3.66Å; W71-H155 AromaticContact CG-CE1 3.94Å; W71-H155 AromaticContact NE1-CE1 3.75Å
72F98.1Very high86.4Confident2 Ų256.6 Ų56.61%0.00933%0.327CS..BIsolated β-bridgetrans-113126.9172.4-60-38000110.8Y12 L43 T44 V45 R78 S79 S89 S90Y12-F72 HydrophobicContact CE2-CD1 4.45Å; Y12-F72 HydrophobicContact CE2-CE1 4.12Å; L43-F72 HydrophobicContact CB-CE1 4.21Å; L43-F72 HydrophobicContact CB-CE2 3.83Å; L43-F72 HydrophobicContact CB-CZ 3.51Å; L43-F72 HydrophobicContact CD1-CD2 4.27Å; L43-F72 HydrophobicContact CD1-CE1 4.41Å; L43-F72 HydrophobicContact CD1-CE2 4.12Å; L43-F72 HydrophobicContact CD1-CZ 4.2Å; T44-F72 WeakPolarHBondContact O-CZ 3.34Å; V45-F72 HydrophobicContact CG2-CE1 4.12Å; V45-F72 HydrophobicContact CG2-CZ 4.43Å; F72-R78 WeakPolarHBondContact CD1-O 3.46Å; F72-R78 HydrophobicContact CD2-CB 3.85Å; F72-R78 HydrophobicContact CD2-CG 4.43Å; F72-R78 WeakPolarHBondContact CE1-O 3.28Å; F72-R78 HydrophobicContact CE2-CB 3.8Å; F72-R78 HydrophobicContact CE2-CG 4.48Å; F72-R78 VanDerWaalsContact CG-C 3.44Å; F72-R78 HydrophobicContact CZ-CB 4.49Å; F72-R78 WeakPolarHBondContact CZ-O 3.26Å; F72-S79 CarbonylContact C-O 3.56Å; F72-S79 WeakPolarHBondContact CA-O 3.43Å; F72-S79 VanDerWaalsContact CB-O 3.26Å; F72-S79 WeakPolarHBondContact CB-O 3.21Å; F72-S89 VanDerWaalsContact O-CA 3.25Å; F72-S89 WeakPolarHBondContact O-CA 3.49Å; F72-S89 WeakPolarHBondContact O-CB 3.38Å; F72-S90 PolarHBondContact N-O 2.93Å; F72-S90 PolarHBondContact O-N 2.89Å; F72-S90 VanDerWaalsContact O-N 3.13Å
73S96.6Very high89.2Confident5 Ų559 Ų594%0.03532%0.319CS..SBendtrans-79.2-28.7172.353.20000111.4S79 F80 S81 Q84 C86S73-S79 PolarHBondContact N-O 2.85Å; S73-F80 WeakPolarHBondContact OG-CA 3.34Å; S73-S81 PolarHBondContact OG-N 2.86Å; S73-Q84 PolarHBondContact O-NE2 2.99Å; S73-Q84 PolarHBondContact OG-OE1 3.16Å; S73-C86 WeakPolarHBondContact O-CB 3.45Å; S73-C86 PolarHBondContact O-SG 2.66Å; S73-C86 VanDerWaalsContact O-SG 3.42Å
74D95.6Very high91.8Very high50 Ų5058.4 Ų58.427%0.26730%0.298SS..BIsolated β-bridgetrans-104.5104.4167.5-168.6-29.2000109.3Q76 A77 R78 S79D74-Q76 PolarHBondContact OD1-N 2.71Å; D74-A77 HydrophobicContact CB-CB 4.07Å; D74-A77 VanDerWaalsContact CG-CB 3.41Å; D74-A77 PolarHBondContact OD1-N 2.9Å; D74-A77 WeakPolarHBondContact OD2-CB 3.49Å; D74-R78 VanDerWaalsContact O-CA 3.31Å; D74-R78 WeakPolarHBondContact O-CA 3.42Å; D74-R78 PolarHBondContact O-N 2.91Å; D74-S79 WeakPolarHBondContact CB-OG 3.34Å; D74-S79 PolarHBondContact N-O 3.29Å; D74-S79 PolarHBondContact O-N 3.44Å
75I93.1Very high93.9Very high83 Ų8358.3 Ų58.343%0.42629%0.292SS..THydrogen-bonded Turntrans-68.3-37-179-61.6176.2000111K88I75-K88 HydrophobicContact CD1-CB 4.14Å
76Q91Very high95.3Very high189 Ų18954.5 Ų54.588%0.88328%0.277SS*.THydrogen-bonded Turntrans-73.5-48.1-177.1-67.2-174-6.500110.7D74 R78D74-Q76 PolarHBondContact OD1-N 2.71Å; Q76-R78 PolarHBondContact O-N 2.8Å
77A91.8Very high95.8Very high48 Ų4856.4 Ų56.440%0.39729%0.286SS..THydrogen-bonded Turntrans-78.1-4.2177.900000113.3D74 S79D74-A77 HydrophobicContact CB-CB 4.07Å; D74-A77 VanDerWaalsContact CG-CB 3.41Å; D74-A77 PolarHBondContact OD1-N 2.9Å; D74-A77 WeakPolarHBondContact OD2-CB 3.49Å; A77-S79 PolarHBondContact O-N 2.77Å
78R93.1Very high96Very high98 Ų9861.6 Ų61.637%0.3731%0.305SS..THydrogen-bonded Turntrans48.147.8-174.5-63179.45985.32.9111.7F72 D74 Q76F72-R78 WeakPolarHBondContact CD1-O 3.46Å; F72-R78 HydrophobicContact CD2-CB 3.85Å; F72-R78 HydrophobicContact CD2-CG 4.43Å; F72-R78 WeakPolarHBondContact CE1-O 3.28Å; F72-R78 HydrophobicContact CE2-CB 3.8Å; F72-R78 HydrophobicContact CE2-CG 4.48Å; F72-R78 VanDerWaalsContact CG-C 3.44Å; F72-R78 HydrophobicContact CZ-CB 4.49Å; F72-R78 WeakPolarHBondContact CZ-O 3.26Å; D74-R78 VanDerWaalsContact O-CA 3.31Å; D74-R78 WeakPolarHBondContact O-CA 3.42Å; D74-R78 PolarHBondContact O-N 2.91Å; Q76-R78 PolarHBondContact O-N 2.8Å
79S95.5Very high96Very high32 Ų3260.1 Ų60.122%0.22430%0.302CS..BIsolated β-bridgetrans-131.9164.2-171.583.20000112.5Y12 F72 S73 D74 A77Y12-S79 WeakPolarHBondContact OH-CA 3.48Å; F72-S79 CarbonylContact C-O 3.56Å; F72-S79 WeakPolarHBondContact CA-O 3.43Å; F72-S79 VanDerWaalsContact CB-O 3.26Å; F72-S79 WeakPolarHBondContact CB-O 3.21Å; S73-S79 PolarHBondContact N-O 2.85Å; D74-S79 WeakPolarHBondContact CB-OG 3.34Å; D74-S79 PolarHBondContact N-O 3.29Å; D74-S79 PolarHBondContact O-N 3.44Å; A77-S79 PolarHBondContact O-N 2.77Å
80F97Very high96Very high23 Ų2361.7 Ų61.710%0.10131%0.313CS..  trans-128.9135.5-178.6168.4-98.9000111.3Y12 W71 S73 A82 Q117 F148Y12-F80 HydrophobicContact CD1-CB 4.25Å; Y12-F80 AromaticContact CD1-CD1 3.86Å; Y12-F80 HydrophobicContact CD1-CD1 3.86Å; Y12-F80 HydrophobicContact CD2-CB 3.71Å; Y12-F80 HydrophobicContact CD2-CD1 4.07Å; Y12-F80 HydrophobicContact CD2-CG 4.27Å; Y12-F80 HydrophobicContact CE1-CB 4.13Å; Y12-F80 HydrophobicContact CE1-CD1 4.48Å; Y12-F80 WeakPolarHBondContact CE1-O 3.33Å; Y12-F80 HydrophobicContact CE2-CB 3.59Å; Y12-F80 HydrophobicContact CG-CB 4.06Å; Y12-F80 AromaticContact CG-CD1 3.63Å; Y12-F80 HydrophobicContact CG-CD1 3.63Å; Y12-F80 HydrophobicContact CG-CG 4.27Å; Y12-F80 PolarHBondContact OH-N 3.31Å; W71-F80 AromaticContact CE2-CD2 3.81Å; W71-F80 AromaticContact CE2-CE2 3.53Å; W71-F80 HydrophobicContact CH2-CE2 4.17Å; W71-F80 HydrophobicContact CH2-CZ 4.48Å; W71-F80 HydrophobicContact CZ2-CD2 4.06Å; W71-F80 AromaticContact CZ2-CE2 3.32Å; W71-F80 HydrophobicContact CZ2-CE2 3.32Å; W71-F80 AromaticContact CZ2-CZ 3.97Å; W71-F80 HydrophobicContact CZ2-CZ 3.97Å; W71-F80 AromaticContact NE1-CD2 3.63Å; W71-F80 AromaticContact NE1-CE2 3.62Å; S73-F80 WeakPolarHBondContact OG-CA 3.34Å; F80-A82 HydrophobicContact CE1-CB 4.23Å; F80-A82 VanDerWaalsContact CZ-CA 3.42Å; F80-A82 HydrophobicContact CZ-CB 3.85Å; F80-Q117 HydrophobicContact CD1-CB 4.37Å; F80-Q117 HydrophobicContact CD1-CG 4.18Å; F80-Q117 HydrophobicContact CD2-CG 4.47Å; F80-Q117 HydrophobicContact CE1-CB 3.93Å; F80-Q117 HydrophobicContact CE1-CG 3.96Å; F80-Q117 HydrophobicContact CE2-CG 4.28Å; F80-Q117 HydrophobicContact CG-CG 4.44Å; F80-Q117 HydrophobicContact CZ-CB 4.3Å; F80-Q117 HydrophobicContact CZ-CG 4.02Å; F80-F148 HydrophobicContact CE1-CZ 4.29Å; F80-F148 HydrophobicContact CE2-CZ 4.39Å; F80-F148 AromaticContact CZ-CE2 3.95Å; F80-F148 HydrophobicContact CZ-CE2 3.95Å; F80-F148 AromaticContact CZ-CZ 3.51Å; F80-F148 HydrophobicContact CZ-CZ 3.51Å
81S96.8Very high95.9Very high55 Ų5562.4 Ų62.439%0.38532%0.321SS..  trans-135133.1164.41720000109.5S73 Q83 Q84S73-S81 PolarHBondContact OG-N 2.86Å; S81-Q83 PolarHBondContact O-N 2.75Å; S81-Q84 PolarHBondContact O-N 2.87Å
82A96.7Very high95.9Very high11 Ų1163 Ų639%0.09132%0.324CS..THydrogen-bonded Turntrans-63.2-26.9-17800000113.5F80 F148 I178 M182F80-A82 HydrophobicContact CE1-CB 4.23Å; F80-A82 VanDerWaalsContact CZ-CA 3.42Å; F80-A82 HydrophobicContact CZ-CB 3.85Å; A82-F148 HydrophobicContact CB-CD1 4.44Å; A82-F148 HydrophobicContact CB-CD2 3.99Å; A82-F148 HydrophobicContact CB-CE1 4.1Å; A82-F148 HydrophobicContact CB-CE2 3.64Å; A82-F148 HydrophobicContact CB-CG 4.43Å; A82-F148 HydrophobicContact CB-CZ 3.75Å; A82-I178 HydrophobicContact CB-CD1 3.38Å; A82-M182 HydrophobicContact CB-CE 3.98Å
83Q94.9Very high95.9Very high117 Ų11768.8 Ų68.855%0.54736%0.355SS..THydrogen-bonded Turntrans-98.4-4.6-176.8-64.3174.6-1.500113S81 H85 M182S81-Q83 PolarHBondContact O-N 2.75Å; Q83-H85 PolarHBondContact O-N 2.84Å; Q83-M182 HydrophobicContact CG-CE 3.98Å; Q83-M182 HydrophobicContact CG-SD 3.8Å
84Q96.3Very high96Very high59 Ų5973.2 Ų73.228%0.27638%0.378SS..  trans-76117-178178177.9-7.100110.4S73 S81 A151S73-Q84 PolarHBondContact O-NE2 2.99Å; S73-Q84 PolarHBondContact OG-OE1 3.16Å; S81-Q84 PolarHBondContact O-N 2.87Å; Q84-A151 WeakPolarHBondContact O-CB 3.5Å
85H96.7Very high96.2Very high159 Ų15970.8 Ų70.874%0.73637%0.365SS*.  trans-73.5133.4166.4-70.3-78.5000110.4Q83 A151Q83-H85 PolarHBondContact O-N 2.84Å; H85-A151 PolarHBondContact ND1-O 3.39Å
86C96.4Very high96.4Very high26 Ų2667.3 Ų67.318%0.17635%0.347CS..BIsolated β-bridgetrans-151.9152.1171.758.40000109.7S73 K88 C152 E153S73-C86 WeakPolarHBondContact O-CB 3.45Å; S73-C86 PolarHBondContact O-SG 2.66Å; S73-C86 VanDerWaalsContact O-SG 3.42Å; C86-K88 PolarHBondContact SG-O 2.63Å; C86-C152 CarbonylContact O-C 3.44Å; C86-C152 VanDerWaalsContact O-CA 3.24Å; C86-C152 WeakPolarHBondContact O-CA 3.5Å; C86-C152 PolarHBondContact O-SG 3.44Å; C86-C152 PolarHBondContact SG-SG 3.44Å; C86-E153 PolarHBondContact O-N 2.97Å
87E97.2Very high96.8Very high145 Ų14560.8 Ų60.868%0.67832%0.322SS*.SBendtrans-73.9-37175.7-63.1-178.617800111.4E154E87-E154 PolarHBondContact O-N 2.89Å
88K96.8Very high97.1Very high142 Ų14259.8 Ų59.862%0.61732%0.315SS*.  trans-131.5151.2-177.2-65-175.8179.3-179.50111.6I75 C86I75-K88 HydrophobicContact CD1-CB 4.14Å; C86-K88 PolarHBondContact SG-O 2.63Å
89S97.1Very high97.4Very high17 Ų1755.1 Ų55.112%0.11930%0.297CS..  trans-117.4173.7172.776.70000110.5F72 E154 H155F72-S89 VanDerWaalsContact O-CA 3.25Å; F72-S89 WeakPolarHBondContact O-CA 3.49Å; F72-S89 WeakPolarHBondContact O-CB 3.38Å; S89-E154 WeakPolarHBondContact CA-OE1 3.38Å; S89-E154 VanDerWaalsContact CB-OE1 3.24Å; S89-E154 WeakPolarHBondContact CB-OE1 3.46Å; S89-E154 PolarHBondContact N-OE1 3.37Å; S89-E154 PolarHBondContact OG-OE1 2.93Å; S89-H155 PolarHBondContact OG-CE1 2.75Å; S89-H155 PolarHBondContact OG-NE2 2.89Å
90S97.5Very high97.6Very high33 Ų3357.1 Ų57.123%0.23130%0.299CS..BIsolated β-bridgetrans-128.4146.3169.359.20000112W71 F72W71-S90 CarbonylContact C-O 3.53Å; W71-S90 VanDerWaalsContact CA-O 3.26Å; W71-S90 WeakPolarHBondContact CA-O 3.36Å; F72-S90 PolarHBondContact N-O 2.93Å; F72-S90 PolarHBondContact O-N 2.89Å; F72-S90 VanDerWaalsContact O-N 3.13Å
91G97.9Very high97.6Very high16 Ų1660.8 Ų60.817%0.16532%0.317CS..SBendtrans85.83.2170.900000116.8D93 D94 S95G91-D93 PolarHBondContact O-N 2.94Å; G91-D94 PolarHBondContact O-N 3Å; G91-S95 WeakPolarHBondContact O-CB 3.39Å; G91-S95 PolarHBondContact O-N 3.03Å; G91-S95 VanDerWaalsContact O-N 3.08Å; G91-S95 PolarHBondContact O-OG 3.18Å
92L98.4Very high97.7Very high14 Ų1458.4 Ų58.47%0.07330%0.3CS..Hα-helixtrans-60.4-43.7175.6-178.464.7000112.1W71 D94 S95 I96 F121 M124 F158W71-L92 HydrophobicContact CB-CB 4.44Å; L92-D94 PolarHBondContact O-N 3.45Å; L92-S95 WeakPolarHBondContact O-CB 3.34Å; L92-S95 PolarHBondContact O-N 3.07Å; L92-I96 HydrophobicContact CD1-CD1 4.4Å; L92-I96 HydrophobicContact CD1-CG1 4.48Å; L92-I96 HydrophobicContact CD2-CD1 4.48Å; L92-I96 HydrophobicContact CG-CD1 3.95Å; L92-I96 HydrophobicContact CG-CG1 4.48Å; L92-I96 WeakPolarHBondContact O-CG1 3.18Å; L92-I96 PolarHBondContact O-N 3.09Å; L92-F121 HydrophobicContact CD1-CD2 3.8Å; L92-F121 HydrophobicContact CD1-CE2 3.62Å; L92-M124 HydrophobicContact CD1-SD 4Å; L92-M124 HydrophobicContact CD2-SD 4.35Å; L92-F158 HydrophobicContact CD2-CE2 3.78Å; L92-F158 HydrophobicContact CD2-CZ 4.01Å
93D98.3Very high97.8Very high123 Ų12358.9 Ų58.966%0.65830%0.302SS*.Hα-helixtrans-64.9-38.5-179.8-68.9-22.5000112.6G91 S95 I96 S97G91-D93 PolarHBondContact O-N 2.94Å; D93-S95 VanDerWaalsContact C-N 3.3Å; D93-S95 PolarHBondContact O-N 3.01Å; D93-I96 PolarHBondContact O-N 3.08Å; D93-S97 WeakPolarHBondContact O-CB 3.41Å; D93-S97 PolarHBondContact O-N 2.8Å; D93-S97 PolarHBondContact O-OG 3.43Å
94D98.6Very high98Very high97 Ų9760.3 Ų60.352%0.51931%0.307SS..Hα-helixtrans-62.4-41.8174-63.8-32.7000110.4P42 L43 G91 L92 S97 A98P42-D94 HydrophobicContact CB-CB 4.46Å; P42-D94 HydrophobicContact CG-CB 3.96Å; L43-D94 HydrophobicContact CD2-CB 4.39Å; G91-D94 PolarHBondContact O-N 3Å; L92-D94 PolarHBondContact O-N 3.45Å; D94-S97 WeakPolarHBondContact O-CB 3.5Å; D94-S97 PolarHBondContact O-N 2.94Å; D94-A98 PolarHBondContact O-N 3.36Å
95S98.8Very high98.1Very high0 Ų061.3 Ų61.30%032%0.317CS..Hα-helixtrans-65.9-42177.5-77.50000113.3P42 W70 G91 L92 D93 S97 A98 V99P42-S95 WeakPolarHBondContact CD-OG 3.47Å; W70-S95 WeakPolarHBondContact CA-OG 3.42Å; W70-S95 VanDerWaalsContact O-CB 3.31Å; W70-S95 WeakPolarHBondContact O-CB 3.41Å; W70-S95 PolarHBondContact O-OG 2.89Å; G91-S95 WeakPolarHBondContact O-CB 3.39Å; G91-S95 PolarHBondContact O-N 3.03Å; G91-S95 VanDerWaalsContact O-N 3.08Å; G91-S95 PolarHBondContact O-OG 3.18Å; L92-S95 WeakPolarHBondContact O-CB 3.34Å; L92-S95 PolarHBondContact O-N 3.07Å; D93-S95 VanDerWaalsContact C-N 3.3Å; D93-S95 PolarHBondContact O-N 3.01Å; S95-S97 VanDerWaalsContact C-N 3.27Å; S95-S97 PolarHBondContact O-N 3.27Å; S95-A98 PolarHBondContact O-N 3Å; S95-V99 PolarHBondContact O-N 3.26Å; S95-V99 VanDerWaalsContact O-N 3.16Å
96I98.8Very high98.1Very high9 Ų957.6 Ų57.65%0.04630%0.3CS..Hα-helixtrans-61.7-41.8172.8-65.4162.4000109.5L92 D93 A98 V99 R100 F121 L125 L128 E134L92-I96 HydrophobicContact CD1-CD1 4.4Å; L92-I96 HydrophobicContact CD1-CG1 4.48Å; L92-I96 HydrophobicContact CD2-CD1 4.48Å; L92-I96 HydrophobicContact CG-CD1 3.95Å; L92-I96 HydrophobicContact CG-CG1 4.48Å; L92-I96 WeakPolarHBondContact O-CG1 3.18Å; L92-I96 PolarHBondContact O-N 3.09Å; D93-I96 PolarHBondContact O-N 3.08Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.42Å; I96-V99 PolarHBondContact O-N 2.76Å; I96-R100 PolarHBondContact O-N 3.05Å; I96-F121 HydrophobicContact CG1-CE2 3.82Å; I96-F121 HydrophobicContact CG1-CZ 4.02Å; I96-L125 HydrophobicContact CG1-CD2 4.41Å; I96-L128 HydrophobicContact CD1-CD1 3.64Å; I96-L128 HydrophobicContact CG1-CD1 3.97Å; I96-L128 HydrophobicContact CG2-CD1 4.27Å; I96-E134 HydrophobicContact CG2-CG 4.31Å; I96-E134 VanDerWaalsContact CG2-OE1 3.32Å; I96-E134 WeakPolarHBondContact CG2-OE1 3.25Å
97S98.7Very high98.1Very high52 Ų5257.6 Ų57.636%0.36430%0.304SS..Hα-helixtrans-64.1-36.6177.8-59.60000112.9D93 D94 S95 R100 E101D93-S97 WeakPolarHBondContact O-CB 3.41Å; D93-S97 PolarHBondContact O-N 2.8Å; D93-S97 PolarHBondContact O-OG 3.43Å; D94-S97 WeakPolarHBondContact O-CB 3.5Å; D94-S97 PolarHBondContact O-N 2.94Å; S95-S97 VanDerWaalsContact C-N 3.27Å; S95-S97 PolarHBondContact O-N 3.27Å; S97-R100 PolarHBondContact O-N 3.22Å; S97-R100 PolarHBondContact OG-NH1 2.85Å; S97-R100 VanDerWaalsContact OG-NH1 3.12Å; S97-E101 PolarHBondContact O-N 2.9Å
98A98.8Very high98.1Very high28 Ų2856 Ų5623%0.23131%0.307CS..Hα-helixtrans-63.6-40.1173.100000112.4P42 D94 S95 I96 A102P42-A98 HydrophobicContact CG-CB 4.42Å; D94-A98 PolarHBondContact O-N 3.36Å; S95-A98 PolarHBondContact O-N 3Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.42Å; A98-A102 WeakPolarHBondContact O-CB 3.44Å; A98-A102 PolarHBondContact O-N 2.79Å
99V98.8Very high98.2Very high0 Ų049.9 Ų49.90%028%0.28CS..Hα-helixtrans-66.6-42.4174.5175.70000110.8L7 I9 I39 W70 S95 I96 E101 A102 V103 F121 L125 F137L7-V99 HydrophobicContact CD2-CG1 3.98Å; I9-V99 HydrophobicContact CD1-CG2 4.22Å; I39-V99 HydrophobicContact CD1-CG2 3.96Å; W70-V99 HydrophobicContact CZ3-CG2 4.46Å; S95-V99 PolarHBondContact O-N 3.26Å; S95-V99 VanDerWaalsContact O-N 3.16Å; I96-V99 PolarHBondContact O-N 2.76Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 2.9Å; V99-A102 WeakPolarHBondContact O-CB 3.33Å; V99-A102 PolarHBondContact O-N 2.78Å; V99-V103 HydrophobicContact CG1-CG2 4.32Å; V99-V103 WeakPolarHBondContact O-CG2 3.41Å; V99-V103 PolarHBondContact O-N 3.28Å; V99-F121 HydrophobicContact CG2-CE1 3.67Å; V99-F121 HydrophobicContact CG2-CZ 4.06Å; V99-L125 HydrophobicContact CB-CD2 4.37Å; V99-L125 HydrophobicContact CG1-CD1 4.14Å; V99-L125 HydrophobicContact CG1-CD2 4.26Å; V99-L125 HydrophobicContact CG2-CD1 3.95Å; V99-L125 HydrophobicContact CG2-CD2 4.31Å; V99-F137 HydrophobicContact CB-CZ 4.21Å; V99-F137 HydrophobicContact CG1-CE1 3.94Å; V99-F137 HydrophobicContact CG1-CE2 4.38Å; V99-F137 HydrophobicContact CG1-CZ 3.65Å
100R98.6Very high98.3Very high73 Ų7350.9 Ų50.928%0.27528%0.284SS..Hα-helixtrans-57-48.2176-166.3-177.3-55.3109.4-2111.7I96 S97 A102 V103 K104 E134 F137I96-R100 PolarHBondContact O-N 3.05Å; S97-R100 PolarHBondContact O-N 3.22Å; S97-R100 PolarHBondContact OG-NH1 2.85Å; S97-R100 VanDerWaalsContact OG-NH1 3.12Å; R100-A102 VanDerWaalsContact C-N 3.31Å; R100-A102 PolarHBondContact O-N 3.28Å; R100-V103 PolarHBondContact O-N 3.45Å; R100-K104 WeakPolarHBondContact O-CB 3.46Å; R100-K104 PolarHBondContact O-N 3.1Å; R100-E134 IonicContact CZ-OE1 3.73Å; R100-E134 IonicContact CZ-OE2 3.26Å; R100-E134 IonicContact NE-OE1 3.98Å; R100-E134 IonicContact NE-OE2 2.74Å; R100-E134 PolarHBondContact NE-OE2 3.29Å; R100-E134 IonicContact NH2-OE1 2.69Å; R100-E134 PolarHBondContact NH2-OE1 3.34Å; R100-E134 IonicContact NH2-OE2 2.85Å; R100-E134 PolarHBondContact NH2-OE2 3.05Å; R100-F137 HydrophobicContact CB-CE1 4.43Å
101E98.6Very high98.3Very high101 Ų10149.3 Ų49.347%0.47227%0.273SS..Hα-helixtrans-62.7-39.4177.3-174.760-165.600111.9S97 V99 K104 T105S97-E101 PolarHBondContact O-N 2.9Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 2.9Å; E101-K104 PolarHBondContact O-N 3.17Å; E101-T105 HydrophobicContact CG-CG2 4.33Å; E101-T105 WeakPolarHBondContact O-CB 3.35Å; E101-T105 WeakPolarHBondContact O-CG2 3.46Å; E101-T105 PolarHBondContact O-N 3.29Å; E101-T105 PolarHBondContact O-OG1 2.94Å; E101-T105 WeakPolarHBondContact OE1-CG2 3.49Å
102A98.6Very high98.4Very high4 Ų448.6 Ų48.63%0.03327%0.265CS..Hα-helixtrans-63.9-44.3175.400000112.5L7 I39 A98 V99 R100 K104 T105 Q106 G107 F109L7-A102 HydrophobicContact CD1-CB 4.33Å; L7-A102 HydrophobicContact CD2-CB 4.46Å; I39-A102 HydrophobicContact CD1-CB 4.31Å; I39-A102 HydrophobicContact CG2-CB 3.73Å; A98-A102 WeakPolarHBondContact O-CB 3.44Å; A98-A102 PolarHBondContact O-N 2.79Å; V99-A102 WeakPolarHBondContact O-CB 3.33Å; V99-A102 PolarHBondContact O-N 2.78Å; R100-A102 VanDerWaalsContact C-N 3.31Å; R100-A102 PolarHBondContact O-N 3.28Å; A102-K104 VanDerWaalsContact C-N 3.31Å; A102-K104 PolarHBondContact O-N 3.06Å; A102-T105 PolarHBondContact O-N 2.83Å; A102-Q106 WeakPolarHBondContact O-CA 3.24Å; A102-Q106 WeakPolarHBondContact O-CB 3.5Å; A102-Q106 PolarHBondContact O-N 2.9Å; A102-G107 PolarHBondContact O-N 3.45Å; A102-F109 WeakPolarHBondContact O-CE2 3.35Å
103V98.6Very high98.4Very high21 Ų2148 Ų4813%0.12726%0.262CS..Hα-helixtrans-58.8-45.3175.7169.40000110.4V99 R100 G107 F109 E136 F137 F139V99-V103 HydrophobicContact CG1-CG2 4.32Å; V99-V103 WeakPolarHBondContact O-CG2 3.41Å; V99-V103 PolarHBondContact O-N 3.28Å; R100-V103 PolarHBondContact O-N 3.45Å; V103-G107 VanDerWaalsContact O-CA 3.24Å; V103-G107 WeakPolarHBondContact O-CA 3.35Å; V103-G107 PolarHBondContact O-N 3.02Å; V103-F109 HydrophobicContact CG2-CD2 4.13Å; V103-F109 HydrophobicContact CG2-CE2 4.47Å; V103-E136 HydrophobicContact CG1-CB 4.44Å; V103-F137 HydrophobicContact CB-CE1 4.48Å; V103-F137 HydrophobicContact CG2-CD1 3.98Å; V103-F137 HydrophobicContact CG2-CE1 3.94Å; V103-F139 HydrophobicContact CG2-CE1 4.23Å; V103-F139 HydrophobicContact CG2-CZ 3.64Å
104K98.3Very high98.4Very high148 Ų14842.1 Ų42.164%0.64323%0.231SC*.Hα-helixtrans-66.3-42.4-179.7-176.3-178.5177.2-1730113.6R100 E101 A102R100-K104 WeakPolarHBondContact O-CB 3.46Å; R100-K104 PolarHBondContact O-N 3.1Å; E101-K104 PolarHBondContact O-N 3.17Å; A102-K104 VanDerWaalsContact C-N 3.31Å; A102-K104 PolarHBondContact O-N 3.06Å
105T98.2Very high98.4Very high80 Ų8037.9 Ų37.949%0.49121%0.208SC..Hα-helixtrans-94.7-27.5-171.255.90000114.2E101 A102E101-T105 HydrophobicContact CG-CG2 4.33Å; E101-T105 WeakPolarHBondContact O-CB 3.35Å; E101-T105 WeakPolarHBondContact O-CG2 3.46Å; E101-T105 PolarHBondContact O-N 3.29Å; E101-T105 PolarHBondContact O-OG1 2.94Å; E101-T105 WeakPolarHBondContact OE1-CG2 3.49Å; A102-T105 PolarHBondContact O-N 2.83Å
106Q97.9Very high98.4Very high81 Ų8138.2 Ų38.238%0.37921%0.21SC..Hα-helixtrans-123.8-5-172.5-62.4173.967.600112.9R5 A102 F109R5-Q106 VanDerWaalsContact CZ-O 3.22Å; R5-Q106 PolarHBondContact NH1-O 3.48Å; R5-Q106 PolarHBondContact NH2-O 3.17Å; A102-Q106 WeakPolarHBondContact O-CA 3.24Å; A102-Q106 WeakPolarHBondContact O-CB 3.5Å; A102-Q106 PolarHBondContact O-N 2.9Å; Q106-F109 HydrophobicContact CB-CE2 4.43Å; Q106-F109 HydrophobicContact CB-CZ 3.78Å
107G96.2Very high98.4Very high26 Ų2637.8 Ų37.827%0.26821%0.208SC..  trans-68.8-178.917500000113.8R5 A102 V103R5-G107 VanDerWaalsContact NH1-C 3.32Å; R5-G107 PolarHBondContact NH1-O 3.35Å; A102-G107 PolarHBondContact O-N 3.45Å; V103-G107 VanDerWaalsContact O-CA 3.24Å; V103-G107 WeakPolarHBondContact O-CA 3.35Å; V103-G107 PolarHBondContact O-N 3.02Å
108P96.9Very high98.5Very high112 Ų11235.3 Ų35.373%0.72719%0.191SC*.  cis-73.4150.8-0.531.3-35.5000112.3R5R5-P108 PolarHBondContact NH1-O 2.87Å
109F98.6Very high98.5Very high13 Ų1334 Ų346%0.05718%0.18CC..  trans-114134.4173.2-62.9-63.6000110R5 L7 V37 A102 V103 Q106 F139R5-F109 HydrophobicContact CB-CD1 4.22Å; R5-F109 CarbonylContact O-C 3.59Å; L7-F109 HydrophobicContact CB-CB 4.47Å; L7-F109 HydrophobicContact CB-CD1 4.02Å; L7-F109 HydrophobicContact CB-CD2 3.97Å; L7-F109 HydrophobicContact CB-CE1 4.22Å; L7-F109 HydrophobicContact CB-CE2 4.15Å; L7-F109 HydrophobicContact CB-CG 3.89Å; L7-F109 HydrophobicContact CB-CZ 4.28Å; L7-F109 HydrophobicContact CD1-CE1 4.44Å; L7-F109 HydrophobicContact CD1-CE2 4.06Å; L7-F109 HydrophobicContact CD1-CZ 3.93Å; L7-F109 HydrophobicContact CD2-CD2 4.21Å; L7-F109 HydrophobicContact CD2-CE2 4.12Å; L7-F109 HydrophobicContact CG-CE2 4.35Å; V37-F109 HydrophobicContact CB-CE1 3.74Å; V37-F109 HydrophobicContact CB-CZ 4.33Å; V37-F109 HydrophobicContact CG1-CE1 3.94Å; V37-F109 HydrophobicContact CG1-CZ 4.05Å; V37-F109 HydrophobicContact CG2-CE1 3.87Å; A102-F109 WeakPolarHBondContact O-CE2 3.35Å; V103-F109 HydrophobicContact CG2-CD2 4.13Å; V103-F109 HydrophobicContact CG2-CE2 4.47Å; Q106-F109 HydrophobicContact CB-CE2 4.43Å; Q106-F109 HydrophobicContact CB-CZ 3.78Å; F109-F139 HydrophobicContact CB-CD1 4.13Å; F109-F139 HydrophobicContact CB-CE1 3.84Å; F109-F139 HydrophobicContact CD2-CE1 4.37Å
110D98.7Very high98.5Very high38 Ų3834 Ų3420%0.20318%0.18CC..SBendtrans-77.2-29.6175.8-68.6-75.7000112.5L4 R5 R140 F141L4-D110 WeakPolarHBondContact CA-OD2 3.29Å; L4-D110 HydrophobicContact CB-CB 4.1Å; L4-D110 HydrophobicContact CD2-CB 3.89Å; R5-D110 PolarHBondContact N-OD2 2.96Å; R5-D110 PolarHBondContact O-N 3.04Å; D110-R140 WeakPolarHBondContact O-CA 3.3Å; D110-R140 VanDerWaalsContact O-CB 3.25Å; D110-R140 WeakPolarHBondContact O-CB 3.36Å; D110-R140 PolarHBondContact O-N 2.8Å; D110-R140 IonicContact OD1-CZ 2.71Å; D110-R140 IonicContact OD1-NH1 3.5Å; D110-R140 PolarHBondContact OD1-NH1 3.34Å; D110-F141 HydrophobicContact CB-CE1 4.01Å
111G98.8Very high98.5Very high0 Ų030.5 Ų30.50%017%0.167CC..EExtended strand (participates in β ladder)trans-164.2177.6-175.900000114.1R5 V6 L7 F141R5-G111 PolarHBondContact O-N 2.89Å; V6-G111 WeakPolarHBondContact CA-O 3.49Å; L7-G111 PolarHBondContact N-O 3.13Å; G111-F141 WeakPolarHBondContact CA-O 3.37Å
112L98.9Very high98.5Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-112.9145.7179-66.9171.7000110.8L7 V122 L125 F139 F141 A142 I143L7-L112 HydrophobicContact CB-CD2 4.03Å; L7-L112 HydrophobicContact CD2-CD2 4.09Å; L7-L112 HydrophobicContact CG-CD2 4.33Å; L7-L112 WeakPolarHBondContact O-CA 3.07Å; L112-V122 HydrophobicContact CB-CG1 3.75Å; L112-V122 HydrophobicContact CB-CG2 4.03Å; L112-V122 HydrophobicContact CD1-CG1 3.93Å; L112-V122 HydrophobicContact CD1-CG2 4.33Å; L112-V122 HydrophobicContact CG-CG1 4.49Å; L112-L125 HydrophobicContact CD1-CB 4.13Å; L112-L125 HydrophobicContact CD1-CD1 4.29Å; L112-F139 HydrophobicContact CD1-CD1 4.43Å; L112-F139 HydrophobicContact CD1-CD2 3.68Å; L112-F139 HydrophobicContact CD1-CE2 3.89Å; L112-F139 HydrophobicContact CD1-CG 3.98Å; L112-F139 HydrophobicContact CD1-CZ 4.34Å; L112-F139 HydrophobicContact CD2-CD1 3.93Å; L112-F139 HydrophobicContact CD2-CD2 4.35Å; L112-F139 HydrophobicContact CD2-CE1 3.56Å; L112-F139 HydrophobicContact CD2-CE2 4.04Å; L112-F139 HydrophobicContact CD2-CG 4.3Å; L112-F139 HydrophobicContact CD2-CZ 3.63Å; L112-F139 HydrophobicContact CG-CB 4.38Å; L112-F139 HydrophobicContact CG-CD1 3.77Å; L112-F139 HydrophobicContact CG-CD2 3.94Å; L112-F139 HydrophobicContact CG-CE1 3.95Å; L112-F139 HydrophobicContact CG-CE2 4.13Å; L112-F139 HydrophobicContact CG-CG 3.76Å; L112-F139 HydrophobicContact CG-CZ 4.13Å; L112-F141 PolarHBondContact N-O 2.73Å; L112-A142 CarbonylContact O-C 3.56Å; L112-A142 WeakPolarHBondContact O-CA 3.3Å; L112-I143 PolarHBondContact O-N 3.26Å
113L98.9Very high98.5Very high1 Ų125.5 Ų25.51%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-128.8115.9165.4-174.7160.9000109V6 L7 C8 I9 F19 L26 I143V6-L113 HydrophobicContact CG1-CB 3.62Å; L7-L113 PolarHBondContact O-N 3.03Å; C8-L113 CarbonylContact C-O 3.56Å; C8-L113 VanDerWaalsContact CA-O 3.3Å; C8-L113 WeakPolarHBondContact CA-O 3.44Å; I9-L113 PolarHBondContact N-O 3.47Å; F19-L113 HydrophobicContact CE1-CD2 4.01Å; F19-L113 HydrophobicContact CZ-CD2 3.58Å; L26-L113 HydrophobicContact CD2-CD1 3.85Å; L113-I143 CarbonylContact C-O 3.55Å; L113-I143 WeakPolarHBondContact CA-O 3.35Å; L113-I143 HydrophobicContact CB-CB 4.36Å; L113-I143 HydrophobicContact CD1-CG2 4.43Å; L113-I143 HydrophobicContact CG-CB 4.17Å; L113-I143 HydrophobicContact CG-CG2 4.26Å
114G98.9Very high98.5Very high0 Ų024.6 Ų24.60%014%0.137CC..EExtended strand (participates in β ladder)trans-111.2148.5176.100000112.3I9 I143 V145I9-G114 WeakPolarHBondContact O-CA 3.44Å; G114-I143 PolarHBondContact N-O 2.84Å; G114-V145 PolarHBondContact O-N 3.39Å
115F98.9Very high98.5Very high8 Ų817.5 Ų17.54%0.03511%0.106CC..EExtended strand (participates in β ladder)trans-123131.6169.5176.7-111.6000111.6I9 G11 F19 Q117 G118 A119 V145 A146 H202 V204I9-F115 PolarHBondContact O-N 2.8Å; G11-F115 WeakPolarHBondContact CA-O 3.13Å; G11-F115 PolarHBondContact N-O 2.8Å; F19-F115 HydrophobicContact CE2-CB 3.52Å; F19-F115 HydrophobicContact CE2-CD1 4.39Å; F19-F115 HydrophobicContact CE2-CG 4.1Å; F19-F115 HydrophobicContact CZ-CB 3.51Å; F115-Q117 PolarHBondContact O-N 3.14Å; F115-G118 WeakPolarHBondContact O-CA 3.39Å; F115-G118 PolarHBondContact O-N 3.38Å; F115-A119 PolarHBondContact O-N 3.25Å; F115-V145 CarbonylContact C-O 3.59Å; F115-V145 VanDerWaalsContact CA-O 3.3Å; F115-V145 WeakPolarHBondContact CA-O 3.38Å; F115-V145 HydrophobicContact CD2-CB 4Å; F115-V145 HydrophobicContact CD2-CG1 3.82Å; F115-V145 HydrophobicContact CE2-CG1 4.25Å; F115-A146 HydrophobicContact CE2-CB 4.2Å; F115-H202 AromaticContact CE1-NE2 3.75Å; F115-H202 AromaticContact CZ-CD2 3.5Å; F115-H202 VanDerWaalsContact CZ-CD2 3.5Å; F115-H202 WeakPolarHBondContact CZ-CD2 3.39Å; F115-H202 AromaticContact CZ-CE1 3.87Å; F115-H202 AromaticContact CZ-NE2 3.41Å; F115-H202 WeakPolarHBondContact CZ-NE2 3.26Å; F115-V204 HydrophobicContact CB-CG2 4.43Å; F115-V204 HydrophobicContact CD2-CG2 3.71Å; F115-V204 HydrophobicContact CE2-CG2 4.21Å; F115-V204 HydrophobicContact CG-CG2 4.14Å
116S98.7Very high98.6Very high8 Ų813.7 Ų13.76%0.0568%0.083CC..THydrogen-bonded Turntrans54-121.3174.5-1710000111.5G118 A119 A120 V145 A146 F148 H202S116-G118 PolarHBondContact O-N 2.76Å; S116-A119 WeakPolarHBondContact O-CA 3.43Å; S116-A119 WeakPolarHBondContact O-CB 3.5Å; S116-A119 PolarHBondContact O-N 3.37Å; S116-A120 PolarHBondContact O-N 2.97Å; S116-A120 VanDerWaalsContact O-N 3.1Å; S116-V145 PolarHBondContact N-O 3.45Å; S116-A146 WeakPolarHBondContact CA-O 3.27Å; S116-F148 WeakPolarHBondContact O-CE1 3.29Å; S116-H202 VanDerWaalsContact CB-CE1 3.5Å; S116-H202 WeakPolarHBondContact CB-CE1 3.44Å; S116-H202 VanDerWaalsContact CB-NE2 3.31Å; S116-H202 WeakPolarHBondContact CB-NE2 3.35Å; S116-H202 PolarHBondContact OG-CE1 3.29Å; S116-H202 VanDerWaalsContact OG-CE1 3.28Å; S116-H202 PolarHBondContact OG-NE2 2.81Å
117Q98.9Very high98.6Very high0 Ų010.1 Ų10.10%07%0.067CC..Hα-helixtrans-49.9-40.7172.8-169.8-176.347.100112.4W70 W71 F80 F115 A119 A120 F121W70-Q117 HydrophobicContact CB-CG 4.41Å; W71-Q117 HydrophobicContact CD2-CG 4.46Å; W71-Q117 HydrophobicContact CE3-CG 3.88Å; W71-Q117 HydrophobicContact CH2-CG 3.51Å; W71-Q117 HydrophobicContact CZ2-CG 4.14Å; W71-Q117 HydrophobicContact CZ3-CG 3.35Å; W71-Q117 WeakPolarHBondContact CZ3-O 3.36Å; W71-Q117 PolarHBondContact O-NE2 3.22Å; F80-Q117 HydrophobicContact CD1-CB 4.37Å; F80-Q117 HydrophobicContact CD1-CG 4.18Å; F80-Q117 HydrophobicContact CD2-CG 4.47Å; F80-Q117 HydrophobicContact CE1-CB 3.93Å; F80-Q117 HydrophobicContact CE1-CG 3.96Å; F80-Q117 HydrophobicContact CE2-CG 4.28Å; F80-Q117 HydrophobicContact CG-CG 4.44Å; F80-Q117 HydrophobicContact CZ-CB 4.3Å; F80-Q117 HydrophobicContact CZ-CG 4.02Å; F115-Q117 PolarHBondContact O-N 3.14Å; Q117-A119 VanDerWaalsContact C-N 3.33Å; Q117-A119 PolarHBondContact O-N 3Å; Q117-A120 PolarHBondContact O-N 2.9Å; Q117-F121 PolarHBondContact O-N 2.96Å
118G98.9Very high98.7Very high0 Ų09.5 Ų9.50%06%0.057CC..Hα-helixtrans-66.8-30.4176.400000113.8I9 H10 F115 S116 F121 V122I9-G118 VanDerWaalsContact CG2-CA 3.48Å; H10-G118 VanDerWaalsContact O-CA 3.23Å; H10-G118 WeakPolarHBondContact O-CA 3.49Å; H10-G118 PolarHBondContact O-N 2.81Å; F115-G118 WeakPolarHBondContact O-CA 3.39Å; F115-G118 PolarHBondContact O-N 3.38Å; S116-G118 PolarHBondContact O-N 2.76Å; G118-F121 PolarHBondContact O-N 3.38Å; G118-V122 WeakPolarHBondContact O-CB 3.39Å; G118-V122 VanDerWaalsContact O-CG2 3.25Å; G118-V122 WeakPolarHBondContact O-CG2 3.3Å; G118-V122 PolarHBondContact O-N 3.45Å
119A98.9Very high98.8Very high0 Ų05.7 Ų5.70%03%0.029CC..Hα-helixtrans-70.4-42.2173.800000111.7F115 S116 Q117 F121 V122 A123 L144 V145 G147F115-A119 PolarHBondContact O-N 3.25Å; S116-A119 WeakPolarHBondContact O-CA 3.43Å; S116-A119 WeakPolarHBondContact O-CB 3.5Å; S116-A119 PolarHBondContact O-N 3.37Å; Q117-A119 VanDerWaalsContact C-N 3.33Å; Q117-A119 PolarHBondContact O-N 3Å; A119-F121 VanDerWaalsContact C-N 3.31Å; A119-F121 PolarHBondContact O-N 3.45Å; A119-V122 PolarHBondContact O-N 2.98Å; A119-A123 PolarHBondContact O-N 3.38Å; A119-A123 VanDerWaalsContact O-N 3.1Å; A119-L144 HydrophobicContact CB-CB 4.24Å; A119-L144 WeakPolarHBondContact O-CD2 3.24Å; A119-V145 WeakPolarHBondContact CB-O 3.38Å; A119-G147 VanDerWaalsContact CB-CA 3.46Å
120A98.9Very high98.7Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-62.1-39.3172.100000111.8W71 S116 Q117 A123 M124 F148W71-A120 HydrophobicContact CH2-CB 3.75Å; S116-A120 PolarHBondContact O-N 2.97Å; S116-A120 VanDerWaalsContact O-N 3.1Å; Q117-A120 PolarHBondContact O-N 2.9Å; A120-A123 PolarHBondContact O-N 2.98Å; A120-M124 PolarHBondContact O-N 3.39Å; A120-F148 HydrophobicContact CB-CD1 4.13Å; A120-F148 HydrophobicContact CB-CD2 4.14Å; A120-F148 HydrophobicContact CB-CE1 3.79Å; A120-F148 HydrophobicContact CB-CE2 3.77Å; A120-F148 HydrophobicContact CB-CG 4.27Å; A120-F148 HydrophobicContact CB-CZ 3.53Å; A120-F148 VanDerWaalsContact CB-O 3.23Å; A120-F148 WeakPolarHBondContact CB-O 3.23Å
121F98.9Very high98.6Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-64.4-43.3173.1-174.3-143.9000112.4I9 W70 W71 L92 I96 V99 Q117 G118 A119 A123 M124 L125I9-F121 HydrophobicContact CG2-CB 4.46Å; I9-F121 HydrophobicContact CG2-CD1 3.74Å; W70-F121 HydrophobicContact CB-CB 4.44Å; W70-F121 HydrophobicContact CB-CD1 4.17Å; W70-F121 HydrophobicContact CB-CG 4.3Å; W70-F121 AromaticContact CD2-CD1 3.57Å; W70-F121 HydrophobicContact CD2-CD1 3.57Å; W70-F121 AromaticContact CD2-CE1 3.92Å; W70-F121 HydrophobicContact CD2-CE1 3.92Å; W70-F121 HydrophobicContact CD2-CG 4.49Å; W70-F121 AromaticContact CE3-CD1 3.49Å; W70-F121 HydrophobicContact CE3-CD1 3.49Å; W70-F121 VanDerWaalsContact CE3-CD1 3.49Å; W70-F121 AromaticContact CE3-CE1 3.31Å; W70-F121 HydrophobicContact CE3-CE1 3.31Å; W70-F121 HydrophobicContact CE3-CZ 4.32Å; W70-F121 HydrophobicContact CG-CB 4.44Å; W70-F121 AromaticContact CG-CD1 3.88Å; W70-F121 HydrophobicContact CG-CD1 3.88Å; W70-F121 HydrophobicContact CG-CG 4.37Å; W70-F121 HydrophobicContact CZ3-CD1 4.11Å; W70-F121 AromaticContact CZ3-CE1 3.68Å; W70-F121 HydrophobicContact CZ3-CE1 3.68Å; W71-F121 HydrophobicContact CZ3-CB 3.98Å; L92-F121 HydrophobicContact CD1-CD2 3.8Å; L92-F121 HydrophobicContact CD1-CE2 3.62Å; I96-F121 HydrophobicContact CG1-CE2 3.82Å; I96-F121 HydrophobicContact CG1-CZ 4.02Å; V99-F121 HydrophobicContact CG2-CE1 3.67Å; V99-F121 HydrophobicContact CG2-CZ 4.06Å; Q117-F121 PolarHBondContact O-N 2.96Å; G118-F121 PolarHBondContact O-N 3.38Å; A119-F121 VanDerWaalsContact C-N 3.31Å; A119-F121 PolarHBondContact O-N 3.45Å; F121-A123 VanDerWaalsContact C-N 3.27Å; F121-A123 PolarHBondContact O-N 3.39Å; F121-M124 WeakPolarHBondContact O-CA 3.37Å; F121-M124 WeakPolarHBondContact O-CB 3.47Å; F121-M124 PolarHBondContact O-N 3.31Å; F121-L125 HydrophobicContact CD1-CD1 4.14Å; F121-L125 HydrophobicContact CD2-CG 4.27Å; F121-L125 HydrophobicContact CE1-CD1 3.96Å; F121-L125 HydrophobicContact CE1-CD2 4.33Å; F121-L125 HydrophobicContact CE1-CG 4.34Å; F121-L125 HydrophobicContact CE2-CD1 4.49Å; F121-L125 HydrophobicContact CE2-CD2 3.84Å; F121-L125 HydrophobicContact CE2-CG 4Å; F121-L125 HydrophobicContact CG-CD1 4.47Å; F121-L125 HydrophobicContact CZ-CD1 4.13Å; F121-L125 HydrophobicContact CZ-CD2 3.68Å; F121-L125 HydrophobicContact CZ-CG 4.02Å; F121-L125 WeakPolarHBondContact O-CG 3.31Å; F121-L125 PolarHBondContact O-N 3.26Å
122V98.9Very high98.5Very high0 Ų018.9 Ų18.90%09%0.087CC..Hα-helixtrans-56.6-40.5175.7161.50000111.7I9 L112 G118 A119 M124 L125 C126 A142 L144I9-V122 HydrophobicContact CB-CG2 3.89Å; I9-V122 HydrophobicContact CG1-CG2 3.61Å; I9-V122 HydrophobicContact CG2-CG2 4.36Å; L112-V122 HydrophobicContact CB-CG1 3.75Å; L112-V122 HydrophobicContact CB-CG2 4.03Å; L112-V122 HydrophobicContact CD1-CG1 3.93Å; L112-V122 HydrophobicContact CD1-CG2 4.33Å; L112-V122 HydrophobicContact CG-CG1 4.49Å; G118-V122 WeakPolarHBondContact O-CB 3.39Å; G118-V122 VanDerWaalsContact O-CG2 3.25Å; G118-V122 WeakPolarHBondContact O-CG2 3.3Å; G118-V122 PolarHBondContact O-N 3.45Å; A119-V122 PolarHBondContact O-N 2.98Å; V122-M124 VanDerWaalsContact C-N 3.3Å; V122-M124 PolarHBondContact O-N 3.1Å; V122-L125 WeakPolarHBondContact O-CB 3.38Å; V122-L125 PolarHBondContact O-N 3.09Å; V122-C126 PolarHBondContact O-N 3.43Å; V122-C126 PolarHBondContact O-SG 2.98Å; V122-A142 HydrophobicContact CG1-CB 3.89Å; V122-L144 HydrophobicContact CG1-CD2 4.45Å; V122-L144 HydrophobicContact CG1-CG 4.34Å
123A98.8Very high98.4Very high0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-60.4-39174.400000112.5A119 A120 F121 C126 S127 L144 Y159 L186 F190A119-A123 PolarHBondContact O-N 3.38Å; A119-A123 VanDerWaalsContact O-N 3.1Å; A120-A123 PolarHBondContact O-N 2.98Å; F121-A123 VanDerWaalsContact C-N 3.27Å; F121-A123 PolarHBondContact O-N 3.39Å; A123-C126 WeakPolarHBondContact O-CB 3.44Å; A123-C126 PolarHBondContact O-N 2.93Å; A123-S127 PolarHBondContact O-N 3.2Å; A123-S127 VanDerWaalsContact O-N 3.09Å; A123-L144 HydrophobicContact CB-CD2 3.95Å; A123-Y159 HydrophobicContact CB-CE1 4.13Å; A123-L186 HydrophobicContact CB-CD1 4.15Å; A123-L186 HydrophobicContact CB-CD2 4.45Å; A123-F190 HydrophobicContact CB-CE2 4.13Å; A123-F190 HydrophobicContact CB-CZ 3.9Å
124M98.8Very high98.2Very high1 Ų124.9 Ų24.91%0.00512%0.118CC..Hα-helixtrans-66.8-40.8174.8-57.2174.2-171.700111.8W71 L92 A120 F121 V122 C126 S127 L128 S150 H155 F158 Y159W71-M124 HydrophobicContact CH2-CE 4.37Å; W71-M124 HydrophobicContact CZ2-CE 4.49Å; L92-M124 HydrophobicContact CD1-SD 4Å; L92-M124 HydrophobicContact CD2-SD 4.35Å; A120-M124 PolarHBondContact O-N 3.39Å; F121-M124 WeakPolarHBondContact O-CA 3.37Å; F121-M124 WeakPolarHBondContact O-CB 3.47Å; F121-M124 PolarHBondContact O-N 3.31Å; V122-M124 VanDerWaalsContact C-N 3.3Å; V122-M124 PolarHBondContact O-N 3.1Å; M124-C126 VanDerWaalsContact C-N 3.33Å; M124-C126 PolarHBondContact O-N 3.46Å; M124-S127 WeakPolarHBondContact O-CB 3.25Å; M124-S127 PolarHBondContact O-N 3.04Å; M124-S127 VanDerWaalsContact O-N 3.17Å; M124-L128 WeakPolarHBondContact O-CG 3.44Å; M124-L128 PolarHBondContact O-N 3.31Å; M124-S150 VanDerWaalsContact CE-CB 3.48Å; M124-H155 HydrophobicContact CE-CB 3.94Å; M124-F158 HydrophobicContact CB-CB 4.31Å; M124-F158 HydrophobicContact CB-CD1 4.15Å; M124-F158 HydrophobicContact CB-CD2 4Å; M124-F158 HydrophobicContact CB-CE1 4.5Å; M124-F158 HydrophobicContact CB-CE2 4.36Å; M124-F158 HydrophobicContact CB-CG 3.9Å; M124-F158 HydrophobicContact CG-CB 4.01Å; M124-F158 HydrophobicContact CG-CD2 3.6Å; M124-F158 HydrophobicContact CG-CE2 4.2Å; M124-F158 HydrophobicContact CG-CG 3.81Å; M124-F158 HydrophobicContact SD-CD2 3.88Å; M124-F158 HydrophobicContact SD-CE2 4.03Å; M124-Y159 VanDerWaalsContact CE-OH 3.27Å; M124-Y159 WeakPolarHBondContact CE-OH 3.25Å
125L98.8Very high97.9Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-61.4-40.9175.4-64.4170.6000111.9I96 V99 L112 F121 V122 S127 L128 Q129 F137I96-L125 HydrophobicContact CG1-CD2 4.41Å; V99-L125 HydrophobicContact CB-CD2 4.37Å; V99-L125 HydrophobicContact CG1-CD1 4.14Å; V99-L125 HydrophobicContact CG1-CD2 4.26Å; V99-L125 HydrophobicContact CG2-CD1 3.95Å; V99-L125 HydrophobicContact CG2-CD2 4.31Å; L112-L125 HydrophobicContact CD1-CB 4.13Å; L112-L125 HydrophobicContact CD1-CD1 4.29Å; F121-L125 HydrophobicContact CD1-CD1 4.14Å; F121-L125 HydrophobicContact CD2-CG 4.27Å; F121-L125 HydrophobicContact CE1-CD1 3.96Å; F121-L125 HydrophobicContact CE1-CD2 4.33Å; F121-L125 HydrophobicContact CE1-CG 4.34Å; F121-L125 HydrophobicContact CE2-CD1 4.49Å; F121-L125 HydrophobicContact CE2-CD2 3.84Å; F121-L125 HydrophobicContact CE2-CG 4Å; F121-L125 HydrophobicContact CG-CD1 4.47Å; F121-L125 HydrophobicContact CZ-CD1 4.13Å; F121-L125 HydrophobicContact CZ-CD2 3.68Å; F121-L125 HydrophobicContact CZ-CG 4.02Å; F121-L125 WeakPolarHBondContact O-CG 3.31Å; F121-L125 PolarHBondContact O-N 3.26Å; V122-L125 WeakPolarHBondContact O-CB 3.38Å; V122-L125 PolarHBondContact O-N 3.09Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-L128 HydrophobicContact CD2-CD1 4.49Å; L125-L128 PolarHBondContact O-N 3.09Å; L125-Q129 PolarHBondContact O-N 3.17Å; L125-F137 HydrophobicContact CD2-CE2 3.71Å; L125-F137 HydrophobicContact CD2-CZ 4.2Å
126C98.8Very high97.6Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-60.3-43.8173.3-67.20000111.5V122 A123 M124 Q129 E130 L163 I165V122-C126 PolarHBondContact O-N 3.43Å; V122-C126 PolarHBondContact O-SG 2.98Å; A123-C126 WeakPolarHBondContact O-CB 3.44Å; A123-C126 PolarHBondContact O-N 2.93Å; M124-C126 VanDerWaalsContact C-N 3.33Å; M124-C126 PolarHBondContact O-N 3.46Å; C126-Q129 PolarHBondContact O-N 3.38Å; C126-E130 PolarHBondContact O-N 2.87Å; C126-L163 HydrophobicContact CB-CD1 3.85Å; C126-I165 HydrophobicContact CB-CG2 3.7Å
127S98.6Very high97.6Very high6 Ų636.9 Ų36.94%0.04218%0.178CC..Hα-helixtrans-61.7-45.8175.8-165.50000112.6A123 M124 L125 Q129 E130 Q131 F158 L163A123-S127 PolarHBondContact O-N 3.2Å; A123-S127 VanDerWaalsContact O-N 3.09Å; M124-S127 WeakPolarHBondContact O-CB 3.25Å; M124-S127 PolarHBondContact O-N 3.04Å; M124-S127 VanDerWaalsContact O-N 3.17Å; L125-S127 VanDerWaalsContact C-N 3.33Å; S127-Q129 VanDerWaalsContact C-N 3.32Å; S127-Q129 PolarHBondContact O-N 3.36Å; S127-E130 PolarHBondContact O-N 2.94Å; S127-Q131 WeakPolarHBondContact O-CB 3.17Å; S127-Q131 VanDerWaalsContact O-CG 3.25Å; S127-Q131 WeakPolarHBondContact O-CG 3.42Å; S127-Q131 PolarHBondContact O-N 3.37Å; S127-Q131 PolarHBondContact OG-NE2 2.74Å; S127-F158 VanDerWaalsContact CB-O 3.25Å; S127-F158 WeakPolarHBondContact CB-O 3.24Å; S127-F158 WeakPolarHBondContact OG-CA 3.4Å; S127-F158 PolarHBondContact OG-O 3.2Å; S127-L163 VanDerWaalsContact CA-CD2 3.45Å
128L98.3Very high97.5Very high12 Ų1243.2 Ų43.26%0.06321%0.212CC..Hα-helixtrans-59.4-41.2175.2-72.1169.4000112.5I96 M124 L125 K132 L133 E134 F158I96-L128 HydrophobicContact CD1-CD1 3.64Å; I96-L128 HydrophobicContact CG1-CD1 3.97Å; I96-L128 HydrophobicContact CG2-CD1 4.27Å; M124-L128 WeakPolarHBondContact O-CG 3.44Å; M124-L128 PolarHBondContact O-N 3.31Å; L125-L128 HydrophobicContact CD2-CD1 4.49Å; L125-L128 PolarHBondContact O-N 3.09Å; L128-K132 PolarHBondContact O-N 3.32Å; L128-L133 HydrophobicContact CD2-CB 3.9Å; L128-L133 HydrophobicContact CD2-CD1 3.79Å; L128-L133 PolarHBondContact O-N 2.92Å; L128-E134 HydrophobicContact CB-CG 3.97Å; L128-E134 HydrophobicContact CD1-CG 4.3Å; L128-F158 HydrophobicContact CD1-CE1 4.39Å; L128-F158 HydrophobicContact CD2-CE1 3.74Å; L128-F158 HydrophobicContact CG-CD1 4.44Å; L128-F158 HydrophobicContact CG-CE1 3.85Å
129Q97.9Very high97.5Very high32 Ų3243.6 Ų43.615%0.1521%0.213CC..Hα-helixtrans-62.2-49.5176.3179.4177.6-76.800111.5L125 C126 S127 Q131 K132 F137 F139L125-Q129 PolarHBondContact O-N 3.17Å; C126-Q129 PolarHBondContact O-N 3.38Å; S127-Q129 VanDerWaalsContact C-N 3.32Å; S127-Q129 PolarHBondContact O-N 3.36Å; Q129-Q131 VanDerWaalsContact C-N 3.32Å; Q129-Q131 PolarHBondContact O-N 3.05Å; Q129-K132 WeakPolarHBondContact O-CA 3.37Å; Q129-K132 PolarHBondContact O-N 2.92Å; Q129-F137 HydrophobicContact CB-CB 4.07Å; Q129-F137 HydrophobicContact CG-CB 4.04Å; Q129-F137 PolarHBondContact OE1-O 3.23Å; Q129-F139 PolarHBondContact NE2-O 2.94Å; Q129-F139 VanDerWaalsContact OE1-CD2 3.23Å
130E97.4Very high97.5Very high67 Ų6748.4 Ų48.431%0.31323%0.231SC..Hα-helixtrans-68.5-32.3-177.7-72.5-172.7-156.100113C126 S127 K132 L163 Q164 I165C126-E130 PolarHBondContact O-N 2.87Å; S127-E130 PolarHBondContact O-N 2.94Å; E130-K132 PolarHBondContact O-N 3.45Å; E130-L163 WeakPolarHBondContact OE2-CA 3.44Å; E130-Q164 PolarHBondContact OE1-N 3.25Å; E130-Q164 PolarHBondContact OE2-N 3.28Å; E130-I165 WeakPolarHBondContact OE1-CG2 3.47Å; E130-I165 PolarHBondContact OE1-N 3.43Å
131Q96.6Very high97.5Very high100 Ų10048.4 Ų48.447%0.46723%0.231SC..THydrogen-bonded Turntrans-75.1-2.9171.4-66.1-178.552.200113.3S127 Q129 L133S127-Q131 WeakPolarHBondContact O-CB 3.17Å; S127-Q131 VanDerWaalsContact O-CG 3.25Å; S127-Q131 WeakPolarHBondContact O-CG 3.42Å; S127-Q131 PolarHBondContact O-N 3.37Å; S127-Q131 PolarHBondContact OG-NE2 2.74Å; Q129-Q131 VanDerWaalsContact C-N 3.32Å; Q129-Q131 PolarHBondContact O-N 3.05Å; Q131-L133 HydrophobicContact CB-CD1 3.96Å; Q131-L133 HydrophobicContact CB-CG 3.93Å; Q131-L133 PolarHBondContact O-N 3.24Å
132K96.3Very high97.5Very high161 Ų16148.4 Ų48.470%0.723%0.231SC*.THydrogen-bonded Turntrans57.430.6-176.9-53.9-179.5-179.4177.90113.5L128 Q129 E130 L135L128-K132 PolarHBondContact O-N 3.32Å; Q129-K132 WeakPolarHBondContact O-CA 3.37Å; Q129-K132 PolarHBondContact O-N 2.92Å; E130-K132 PolarHBondContact O-N 3.45Å; K132-L135 HydrophobicContact CB-CD2 4.23Å; K132-L135 WeakPolarHBondContact O-CD2 3.3Å
133L96.8Very high97.5Very high105 Ų10548.4 Ų48.455%0.5523%0.231SC..SBendtrans-83-21.4175.4-65.4173.9000111.8L128 Q131L128-L133 HydrophobicContact CD2-CB 3.9Å; L128-L133 HydrophobicContact CD2-CD1 3.79Å; L128-L133 PolarHBondContact O-N 2.92Å; Q131-L133 HydrophobicContact CB-CD1 3.96Å; Q131-L133 HydrophobicContact CB-CG 3.93Å; Q131-L133 PolarHBondContact O-N 3.24Å
134E95.5Very high97.5Very high22 Ų2248.5 Ų48.510%0.10323%0.232CC..SBendtrans-122.487.1174.2-65.9-64.2155.900110.1I96 R100 L128 E136 F137I96-E134 HydrophobicContact CG2-CG 4.31Å; I96-E134 VanDerWaalsContact CG2-OE1 3.32Å; I96-E134 WeakPolarHBondContact CG2-OE1 3.25Å; R100-E134 IonicContact CZ-OE1 3.73Å; R100-E134 IonicContact CZ-OE2 3.26Å; R100-E134 IonicContact NE-OE1 3.98Å; R100-E134 IonicContact NE-OE2 2.74Å; R100-E134 PolarHBondContact NE-OE2 3.29Å; R100-E134 IonicContact NH2-OE1 2.69Å; R100-E134 PolarHBondContact NH2-OE1 3.34Å; R100-E134 IonicContact NH2-OE2 2.85Å; R100-E134 PolarHBondContact NH2-OE2 3.05Å; L128-E134 HydrophobicContact CB-CG 3.97Å; L128-E134 HydrophobicContact CD1-CG 4.3Å; E134-E136 PolarHBondContact O-N 3.4Å; E134-E136 VanDerWaalsContact O-N 3.16Å; E134-F137 HydrophobicContact CB-CB 4.22Å; E134-F137 HydrophobicContact CB-CD1 4.16Å; E134-F137 HydrophobicContact CB-CD2 3.29Å; E134-F137 HydrophobicContact CB-CE1 4.35Å; E134-F137 HydrophobicContact CB-CE2 3.52Å; E134-F137 HydrophobicContact CB-CG 3.63Å; E134-F137 HydrophobicContact CB-CZ 4.05Å; E134-F137 HydrophobicContact CG-CD2 3.82Å; E134-F137 HydrophobicContact CG-CE2 3.51Å; E134-F137 HydrophobicContact CG-CZ 4Å; E134-F137 WeakPolarHBondContact O-CB 3.48Å; E134-F137 PolarHBondContact O-N 2.99Å
135L92.1Very high97.5Very high153 Ų15348.5 Ų48.580%0.80123%0.232SC*.THydrogen-bonded Turntrans-64.5-21.1-171.2-61.9177.9000114.5K132 F137K132-L135 HydrophobicContact CB-CD2 4.23Å; K132-L135 WeakPolarHBondContact O-CD2 3.3Å; L135-F137 VanDerWaalsContact C-N 3.34Å
136E93.3Very high97.5Very high105 Ų10548.6 Ų48.649%0.49123%0.232SC..THydrogen-bonded Turntrans-82.2-14.9178-64.4179.2-143.700112.3V103 E134V103-E136 HydrophobicContact CG1-CB 4.44Å; E134-E136 PolarHBondContact O-N 3.4Å; E134-E136 VanDerWaalsContact O-N 3.16Å
137F97.8Very high97.5Very high11 Ų1148.7 Ų48.75%0.04823%0.234CC..  trans-79.1125.5179.6-65.4-3.6000110.4V99 R100 V103 L125 Q129 E134 L135 F139V99-F137 HydrophobicContact CB-CZ 4.21Å; V99-F137 HydrophobicContact CG1-CE1 3.94Å; V99-F137 HydrophobicContact CG1-CE2 4.38Å; V99-F137 HydrophobicContact CG1-CZ 3.65Å; R100-F137 HydrophobicContact CB-CE1 4.43Å; V103-F137 HydrophobicContact CB-CE1 4.48Å; V103-F137 HydrophobicContact CG2-CD1 3.98Å; V103-F137 HydrophobicContact CG2-CE1 3.94Å; L125-F137 HydrophobicContact CD2-CE2 3.71Å; L125-F137 HydrophobicContact CD2-CZ 4.2Å; Q129-F137 HydrophobicContact CB-CB 4.07Å; Q129-F137 HydrophobicContact CG-CB 4.04Å; Q129-F137 PolarHBondContact OE1-O 3.23Å; E134-F137 HydrophobicContact CB-CB 4.22Å; E134-F137 HydrophobicContact CB-CD1 4.16Å; E134-F137 HydrophobicContact CB-CD2 3.29Å; E134-F137 HydrophobicContact CB-CE1 4.35Å; E134-F137 HydrophobicContact CB-CE2 3.52Å; E134-F137 HydrophobicContact CB-CG 3.63Å; E134-F137 HydrophobicContact CB-CZ 4.05Å; E134-F137 HydrophobicContact CG-CD2 3.82Å; E134-F137 HydrophobicContact CG-CE2 3.51Å; E134-F137 HydrophobicContact CG-CZ 4Å; E134-F137 WeakPolarHBondContact O-CB 3.48Å; E134-F137 PolarHBondContact O-N 2.99Å; L135-F137 VanDerWaalsContact C-N 3.34Å; F137-F139 HydrophobicContact CB-CD2 4.06Å; F137-F139 HydrophobicContact CB-CE2 3.81Å; F137-F139 HydrophobicContact CD1-CE2 4Å; F137-F139 HydrophobicContact CD1-CZ 4.38Å; F137-F139 AromaticContact CD2-CE2 3.94Å; F137-F139 HydrophobicContact CD2-CE2 3.94Å; F137-F139 HydrophobicContact CG-CD2 4.36Å; F137-F139 AromaticContact CG-CE2 3.65Å; F137-F139 HydrophobicContact CG-CE2 3.65Å; F137-F139 HydrophobicContact CG-CZ 4.46Å
138N97.4Very high97.5Very high133 Ų13348.4 Ų48.471%0.71123%0.232SC*.  trans-142.244.9177.7-168.533.1000111.3
139F98.6Very high97.5Very high8 Ų852.6 Ų52.64%0.03525%0.247CC..  trans-70.1134.5175.9-52.6-69000110.3L7 V103 F109 L112 Q129 F137 I165L7-F139 HydrophobicContact CD2-CZ 4.49Å; V103-F139 HydrophobicContact CG2-CE1 4.23Å; V103-F139 HydrophobicContact CG2-CZ 3.64Å; F109-F139 HydrophobicContact CB-CD1 4.13Å; F109-F139 HydrophobicContact CB-CE1 3.84Å; F109-F139 HydrophobicContact CD2-CE1 4.37Å; L112-F139 HydrophobicContact CD1-CD1 4.43Å; L112-F139 HydrophobicContact CD1-CD2 3.68Å; L112-F139 HydrophobicContact CD1-CE2 3.89Å; L112-F139 HydrophobicContact CD1-CG 3.98Å; L112-F139 HydrophobicContact CD1-CZ 4.34Å; L112-F139 HydrophobicContact CD2-CD1 3.93Å; L112-F139 HydrophobicContact CD2-CD2 4.35Å; L112-F139 HydrophobicContact CD2-CE1 3.56Å; L112-F139 HydrophobicContact CD2-CE2 4.04Å; L112-F139 HydrophobicContact CD2-CG 4.3Å; L112-F139 HydrophobicContact CD2-CZ 3.63Å; L112-F139 HydrophobicContact CG-CB 4.38Å; L112-F139 HydrophobicContact CG-CD1 3.77Å; L112-F139 HydrophobicContact CG-CD2 3.94Å; L112-F139 HydrophobicContact CG-CE1 3.95Å; L112-F139 HydrophobicContact CG-CE2 4.13Å; L112-F139 HydrophobicContact CG-CG 3.76Å; L112-F139 HydrophobicContact CG-CZ 4.13Å; Q129-F139 PolarHBondContact NE2-O 2.94Å; Q129-F139 VanDerWaalsContact OE1-CD2 3.23Å; F137-F139 HydrophobicContact CB-CD2 4.06Å; F137-F139 HydrophobicContact CB-CE2 3.81Å; F137-F139 HydrophobicContact CD1-CE2 4Å; F137-F139 HydrophobicContact CD1-CZ 4.38Å; F137-F139 AromaticContact CD2-CE2 3.94Å; F137-F139 HydrophobicContact CD2-CE2 3.94Å; F137-F139 HydrophobicContact CG-CD2 4.36Å; F137-F139 AromaticContact CG-CE2 3.65Å; F137-F139 HydrophobicContact CG-CE2 3.65Å; F137-F139 HydrophobicContact CG-CZ 4.46Å; F139-I165 HydrophobicContact CB-CD1 4.11Å; F139-I165 WeakPolarHBondContact O-CD1 3.28Å
140R98.6Very high97.5Very high101 Ų10151.3 Ų51.338%0.38124%0.242SC..  trans-93.5-19-175.8-55.7162.361.4-162.6-0.6112.4D110 P166 F221D110-R140 WeakPolarHBondContact O-CA 3.3Å; D110-R140 VanDerWaalsContact O-CB 3.25Å; D110-R140 WeakPolarHBondContact O-CB 3.36Å; D110-R140 PolarHBondContact O-N 2.8Å; D110-R140 IonicContact OD1-CZ 2.71Å; D110-R140 IonicContact OD1-NH1 3.5Å; D110-R140 PolarHBondContact OD1-NH1 3.34Å; R140-P166 WeakPolarHBondContact O-CD 3.38Å; R140-F221 HydrophobicContact CB-CD1 4.08Å; R140-F221 HydrophobicContact CB-CE1 4.47Å; R140-F221 VanDerWaalsContact CZ-O 3.27Å; R140-F221 PolarHBondContact NH1-O 2.88Å; R140-F221 VanDerWaalsContact NH2-CA 3.32Å; R140-F221 PolarHBondContact NH2-O 3Å; R140-F221 WeakPolarHBondContact O-CE1 3.24Å
141F98.9Very high97.5Very high0 Ų049.1 Ų49.10%024%0.235CC..EExtended strand (participates in β ladder)trans-159.416417864.3-93.9000112.7L4 V6 D110 G111 L112 I143 P166 F217 L218 F221L4-F141 HydrophobicContact CB-CZ 4.43Å; L4-F141 HydrophobicContact CD1-CE1 4.01Å; L4-F141 HydrophobicContact CD1-CZ 4.18Å; V6-F141 HydrophobicContact CG2-CE2 3.89Å; V6-F141 HydrophobicContact CG2-CZ 3.58Å; D110-F141 HydrophobicContact CB-CE1 4.01Å; G111-F141 WeakPolarHBondContact CA-O 3.37Å; L112-F141 PolarHBondContact N-O 2.73Å; F141-I143 HydrophobicContact CD2-CG1 4.26Å; F141-I143 HydrophobicContact CE2-CD1 4.24Å; F141-I143 HydrophobicContact CE2-CG1 4.29Å; F141-P166 CarbonylContact C-O 3.58Å; F141-P166 WeakPolarHBondContact CA-O 3.38Å; F141-P166 WeakPolarHBondContact CB-O 3.25Å; F141-F217 HydrophobicContact CB-CE1 4.03Å; F141-F217 HydrophobicContact CB-CZ 3.82Å; F141-F217 AromaticContact CD2-CE1 3.69Å; F141-F217 HydrophobicContact CD2-CE1 3.69Å; F141-F217 HydrophobicContact CD2-CZ 4.31Å; F141-F217 HydrophobicContact CE2-CE1 4.45Å; F141-F217 HydrophobicContact CG-CE1 4.06Å; F141-F217 HydrophobicContact CG-CZ 4.36Å; F141-L218 HydrophobicContact CD2-CD2 4.49Å; F141-L218 HydrophobicContact CE1-CD2 4.39Å; F141-L218 HydrophobicContact CE2-CD2 3.74Å; F141-L218 HydrophobicContact CZ-CD2 3.66Å; F141-F221 HydrophobicContact CB-CD2 4.3Å; F141-F221 HydrophobicContact CB-CE1 4.02Å; F141-F221 HydrophobicContact CB-CE2 3.76Å; F141-F221 HydrophobicContact CB-CZ 3.64Å; F141-F221 HydrophobicContact CD1-CB 4.13Å; F141-F221 AromaticContact CD1-CD1 3.91Å; F141-F221 HydrophobicContact CD1-CD1 3.91Å; F141-F221 AromaticContact CD1-CD2 3.54Å; F141-F221 HydrophobicContact CD1-CD2 3.54Å; F141-F221 HydrophobicContact CD1-CE1 4.25Å; F141-F221 AromaticContact CD1-CE2 3.91Å; F141-F221 HydrophobicContact CD1-CE2 3.91Å; F141-F221 AromaticContact CD1-CG 3.56Å; F141-F221 HydrophobicContact CD1-CG 3.56Å; F141-F221 HydrophobicContact CD1-CZ 4.27Å; F141-F221 HydrophobicContact CE1-CB 4.16Å; F141-F221 HydrophobicContact CE1-CD2 4.07Å; F141-F221 HydrophobicContact CE1-CG 4.07Å; F141-F221 HydrophobicContact CG-CD2 4.05Å; F141-F221 AromaticContact CG-CE2 3.96Å; F141-F221 HydrophobicContact CG-CE2 3.96Å; F141-F221 HydrophobicContact CG-CG 4.42Å; F141-F221 HydrophobicContact CG-CZ 4.28Å
142A98.9Very high97.6Very high0 Ų044.4 Ų44.40%021%0.213CC..EExtended strand (participates in β ladder)trans-130.1139172.400000112.2L112 V122 L144 P166 S167 L168L112-A142 CarbonylContact O-C 3.56Å; L112-A142 WeakPolarHBondContact O-CA 3.3Å; V122-A142 HydrophobicContact CG1-CB 3.89Å; A142-L144 HydrophobicContact CB-CD1 3.78Å; A142-P166 PolarHBondContact N-O 2.9Å; A142-S167 CarbonylContact O-C 3.53Å; A142-S167 VanDerWaalsContact O-CA 3.26Å; A142-S167 WeakPolarHBondContact O-CA 3.46Å; A142-L168 PolarHBondContact O-N 2.92Å
143I98.9Very high97.6Very high0 Ų042.9 Ų42.90%021%0.208CC..EExtended strand (participates in β ladder)trans-111.6113.5169.2-57.6176.2000107.5L112 L113 G114 F141 V145 L168 V170 Y214 F217 L218L112-I143 PolarHBondContact O-N 3.26Å; L113-I143 CarbonylContact C-O 3.55Å; L113-I143 WeakPolarHBondContact CA-O 3.35Å; L113-I143 HydrophobicContact CB-CB 4.36Å; L113-I143 HydrophobicContact CD1-CG2 4.43Å; L113-I143 HydrophobicContact CG-CB 4.17Å; L113-I143 HydrophobicContact CG-CG2 4.26Å; G114-I143 PolarHBondContact N-O 2.84Å; F141-I143 HydrophobicContact CD2-CG1 4.26Å; F141-I143 HydrophobicContact CE2-CD1 4.24Å; F141-I143 HydrophobicContact CE2-CG1 4.29Å; I143-V145 HydrophobicContact CG2-CG2 4.13Å; I143-L168 CarbonylContact C-O 3.51Å; I143-L168 WeakPolarHBondContact CA-O 3.4Å; I143-L168 HydrophobicContact CG1-CB 4.35Å; I143-L168 HydrophobicContact CG2-CD2 4.38Å; I143-V170 HydrophobicContact CG2-CG2 4.27Å; I143-Y214 HydrophobicContact CG2-CE1 4.25Å; I143-F217 HydrophobicContact CD1-CE1 4.49Å; I143-F217 HydrophobicContact CG1-CD1 4.35Å; I143-F217 HydrophobicContact CG1-CE1 3.9Å; I143-L218 HydrophobicContact CD1-CD2 4.28Å
144L98.9Very high97.6Very high1 Ų141.1 Ų41.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-109.9104.7-174.9-59.697.2000109.4A119 V122 A123 A142 L168 H169 V170 L186 F190A119-L144 HydrophobicContact CB-CB 4.24Å; A119-L144 WeakPolarHBondContact O-CD2 3.24Å; V122-L144 HydrophobicContact CG1-CD2 4.45Å; V122-L144 HydrophobicContact CG1-CG 4.34Å; A123-L144 HydrophobicContact CB-CD2 3.95Å; A142-L144 HydrophobicContact CB-CD1 3.78Å; L144-L168 PolarHBondContact N-O 2.98Å; L144-H169 WeakPolarHBondContact O-CA 3.48Å; L144-V170 PolarHBondContact O-N 3Å; L144-L186 HydrophobicContact CD2-CD2 3.92Å; L144-F190 HydrophobicContact CD1-CE1 4.3Å; L144-F190 HydrophobicContact CD1-CZ 4.12Å; L144-F190 HydrophobicContact CD2-CE2 4.12Å; L144-F190 HydrophobicContact CD2-CZ 3.77Å
145V98.9Very high97.8Very high1 Ų140.1 Ų40.11%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-100.4122.2179.9-170.10000110.4G114 F115 S116 A119 I143 G147 V170 V204G114-V145 PolarHBondContact O-N 3.39Å; F115-V145 CarbonylContact C-O 3.59Å; F115-V145 VanDerWaalsContact CA-O 3.3Å; F115-V145 WeakPolarHBondContact CA-O 3.38Å; F115-V145 HydrophobicContact CD2-CB 4Å; F115-V145 HydrophobicContact CD2-CG1 3.82Å; F115-V145 HydrophobicContact CE2-CG1 4.25Å; S116-V145 PolarHBondContact N-O 3.45Å; A119-V145 WeakPolarHBondContact CB-O 3.38Å; I143-V145 HydrophobicContact CG2-CG2 4.13Å; V145-G147 PolarHBondContact O-N 3.45Å; V145-V170 CarbonylContact C-O 3.59Å; V145-V170 WeakPolarHBondContact CA-O 3.35Å; V145-V170 HydrophobicContact CB-CB 4.31Å; V145-V170 HydrophobicContact CG1-CB 4.15Å; V145-V170 HydrophobicContact CG1-CG1 4.16Å; V145-V170 HydrophobicContact CG2-CB 4.04Å; V145-V170 HydrophobicContact CG2-CG2 4.25Å; V145-V204 HydrophobicContact CG1-CB 4.45Å; V145-V204 HydrophobicContact CG1-CG2 4.09Å; V145-V204 HydrophobicContact CG2-CG1 4.43Å
146A98.7Very high98Very high2 Ų235.6 Ų35.62%0.01717%0.167CC..SBendtrans50.440.2-171.800000112.1F115 S116 V170 I178F115-A146 HydrophobicContact CE2-CB 4.2Å; S116-A146 WeakPolarHBondContact CA-O 3.27Å; A146-V170 PolarHBondContact N-O 3.03Å; A146-I178 HydrophobicContact CB-CB 4.43Å
147G98.6Very high98.2Very high3 Ų336.2 Ų36.23%0.03117%0.168CC..  trans-71.9154.9176.300000111.9A119 V145 S183A119-G147 VanDerWaalsContact CB-CA 3.46Å; V145-G147 PolarHBondContact O-N 3.45Å; G147-S183 WeakPolarHBondContact O-CA 3.33Å; G147-S183 WeakPolarHBondContact O-CB 3.48Å; G147-S183 PolarHBondContact O-OG 3.46Å
148F98.8Very high98.2Very high0 Ų036.1 Ų36.10%017%0.168CC..  trans-151.9164177.757-82.8000109.2W71 F80 A82 S116 A120 I178 M182W71-F148 HydrophobicContact CH2-CZ 4.32Å; W71-F148 HydrophobicContact CZ2-CE2 4.44Å; W71-F148 HydrophobicContact CZ2-CZ 4.47Å; F80-F148 HydrophobicContact CE1-CZ 4.29Å; F80-F148 HydrophobicContact CE2-CZ 4.39Å; F80-F148 AromaticContact CZ-CE2 3.95Å; F80-F148 HydrophobicContact CZ-CE2 3.95Å; F80-F148 AromaticContact CZ-CZ 3.51Å; F80-F148 HydrophobicContact CZ-CZ 3.51Å; A82-F148 HydrophobicContact CB-CD1 4.44Å; A82-F148 HydrophobicContact CB-CD2 3.99Å; A82-F148 HydrophobicContact CB-CE1 4.1Å; A82-F148 HydrophobicContact CB-CE2 3.64Å; A82-F148 HydrophobicContact CB-CG 4.43Å; A82-F148 HydrophobicContact CB-CZ 3.75Å; S116-F148 WeakPolarHBondContact O-CE1 3.29Å; A120-F148 HydrophobicContact CB-CD1 4.13Å; A120-F148 HydrophobicContact CB-CD2 4.14Å; A120-F148 HydrophobicContact CB-CE1 3.79Å; A120-F148 HydrophobicContact CB-CE2 3.77Å; A120-F148 HydrophobicContact CB-CG 4.27Å; A120-F148 HydrophobicContact CB-CZ 3.53Å; A120-F148 VanDerWaalsContact CB-O 3.23Å; A120-F148 WeakPolarHBondContact CB-O 3.23Å; F148-I178 HydrophobicContact CB-CG2 4.02Å; F148-I178 HydrophobicContact CD1-CD1 3.49Å; F148-I178 VanDerWaalsContact CD1-CD1 3.49Å; F148-I178 HydrophobicContact CD1-CG1 3.98Å; F148-I178 HydrophobicContact CD1-CG2 4.01Å; F148-I178 HydrophobicContact CE1-CD1 3.66Å; F148-I178 HydrophobicContact CE1-CG1 4.31Å; F148-I178 HydrophobicContact CG-CD1 4.15Å; F148-I178 HydrophobicContact CG-CG2 4.36Å; F148-I178 HydrophobicContact CZ-CD1 4.48Å; F148-M182 HydrophobicContact CB-CB 3.97Å; F148-M182 HydrophobicContact CB-CE 4Å; F148-M182 HydrophobicContact CD2-CE 4.07Å; F148-M182 HydrophobicContact CG-CE 4.12Å
149R98.4Very high98.1Very high99 Ų9930.4 Ų30.437%0.37414%0.136SC..  trans-79.4132.1168.2-70.1174.158.3-169.3-2.7109.6A151 Y159 D185 L186R149-A151 PolarHBondContact O-N 3.04Å; R149-Y159 HydrophobicContact CB-CD2 4.36Å; R149-Y159 HydrophobicContact CB-CE2 4.13Å; R149-Y159 HydrophobicContact CG-CD1 4.14Å; R149-Y159 HydrophobicContact CG-CD2 4.35Å; R149-Y159 HydrophobicContact CG-CE1 4.25Å; R149-Y159 HydrophobicContact CG-CE2 4.45Å; R149-Y159 HydrophobicContact CG-CG 4.2Å; R149-D185 WeakPolarHBondContact CD-O 3.24Å; R149-L186 HydrophobicContact CG-CB 4.22Å; R149-L186 HydrophobicContact CG-CD1 3.68Å
150S98.1Very high97.8Very high6 Ų636.3 Ų36.34%0.04217%0.168CC..  trans-59.5137.8173.4-173.10000110.6M124 C152 H155 Q156 Y159M124-S150 VanDerWaalsContact CE-CB 3.48Å; S150-C152 VanDerWaalsContact C-N 3.26Å; S150-C152 PolarHBondContact OG-N 2.91Å; S150-H155 WeakPolarHBondContact CB-ND1 3.23Å; S150-H155 PolarHBondContact OG-ND1 3.19Å; S150-Q156 PolarHBondContact O-NE2 3.44Å; S150-Y159 PolarHBondContact N-OH 2.96Å; S150-Y159 VanDerWaalsContact N-OH 3.09Å
151A97.3Very high97.3Very high20 Ų2034.6 Ų34.617%0.16518%0.175CC..  trans-82-2175.800000113.6Q84 H85 R149Q84-A151 WeakPolarHBondContact O-CB 3.5Å; H85-A151 PolarHBondContact ND1-O 3.39Å; R149-A151 PolarHBondContact O-N 3.04Å
152C98.1Very high97.1Very high1 Ų137.7 Ų37.71%0.00720%0.196CC..BIsolated β-bridgetrans-75.2136.9177-1740000111.3C86 S150 H155 Q156C86-C152 CarbonylContact O-C 3.44Å; C86-C152 VanDerWaalsContact O-CA 3.24Å; C86-C152 WeakPolarHBondContact O-CA 3.5Å; C86-C152 PolarHBondContact O-SG 3.44Å; C86-C152 PolarHBondContact SG-SG 3.44Å; S150-C152 VanDerWaalsContact C-N 3.26Å; S150-C152 PolarHBondContact OG-N 2.91Å; C152-H155 HydrophobicContact CB-CB 4.26Å; C152-H155 PolarHBondContact O-N 3.38Å; C152-Q156 PolarHBondContact O-NE2 2.85Å
153E97.8Very high97Very high130 Ų13038 Ų3861%0.60720%0.197SC*.G310 helixtrans-63.2-47.2-176.9-170.2176.1166.500111.9C86 H155 Q156C86-E153 PolarHBondContact O-N 2.97Å; E153-H155 PolarHBondContact O-N 2.83Å; E153-Q156 WeakPolarHBondContact O-CB 3.37Å; E153-Q156 WeakPolarHBondContact O-CG 3.36Å; E153-Q156 PolarHBondContact O-N 2.87Å
154E96.7Very high97Very high68 Ų6843.6 Ų43.632%0.31822%0.224SC..G310 helixtrans-64.4-17.4-179.380.7-171.4166.300113.7E87 S89 K157E87-E154 PolarHBondContact O-N 2.89Å; S89-E154 WeakPolarHBondContact CA-OE1 3.38Å; S89-E154 VanDerWaalsContact CB-OE1 3.24Å; S89-E154 WeakPolarHBondContact CB-OE1 3.46Å; S89-E154 PolarHBondContact N-OE1 3.37Å; S89-E154 PolarHBondContact OG-OE1 2.93Å; E154-K157 WeakPolarHBondContact O-CD 3.42Å; E154-K157 WeakPolarHBondContact O-CE 3.34Å; E154-K157 WeakPolarHBondContact O-CG 3.49Å
155H98.1Very high96.9Very high1 Ų144 Ų441%0.00523%0.225CC..G310 helixtrans-86.4-13.2176.7-64.1169.1000113.3W71 S89 M124 S150 C152 E153 K157 F158 Y159W71-H155 AromaticContact CD1-CE1 3.66Å; W71-H155 AromaticContact CG-CE1 3.94Å; W71-H155 AromaticContact NE1-CE1 3.75Å; S89-H155 PolarHBondContact OG-CE1 2.75Å; S89-H155 PolarHBondContact OG-NE2 2.89Å; M124-H155 HydrophobicContact CE-CB 3.94Å; S150-H155 WeakPolarHBondContact CB-ND1 3.23Å; S150-H155 PolarHBondContact OG-ND1 3.19Å; C152-H155 HydrophobicContact CB-CB 4.26Å; C152-H155 PolarHBondContact O-N 3.38Å; E153-H155 PolarHBondContact O-N 2.83Å; H155-K157 PolarHBondContact O-N 2.98Å; H155-F158 HydrophobicContact CB-CD2 4.15Å; H155-F158 WeakPolarHBondContact O-CB 3.49Å; H155-F158 VanDerWaalsContact O-CD2 3.28Å; H155-F158 WeakPolarHBondContact O-CD2 3.46Å; H155-F158 PolarHBondContact O-N 2.99Å; H155-F158 VanDerWaalsContact O-N 3.08Å; H155-Y159 WeakPolarHBondContact O-CD2 3.49Å
156Q97.4Very high96.9Very high57 Ų5745.6 Ų45.627%0.26624%0.236SC..G310 helixtrans-60.1-33.5-176.2-65.1-45.9-6000112.6S150 C152 E153 F158 Y159S150-Q156 PolarHBondContact O-NE2 3.44Å; C152-Q156 PolarHBondContact O-NE2 2.85Å; E153-Q156 WeakPolarHBondContact O-CB 3.37Å; E153-Q156 WeakPolarHBondContact O-CG 3.36Å; E153-Q156 PolarHBondContact O-N 2.87Å; Q156-F158 PolarHBondContact O-N 3.08Å; Q156-Y159 PolarHBondContact O-N 2.93Å
157K96.5Very high96.9Very high119 Ų11945.6 Ų45.652%0.51724%0.236SC..G310 helixtrans-52.6-24175.470.5-172178.7-172.80114.9E154 H155 Y159 D160E154-K157 WeakPolarHBondContact O-CD 3.42Å; E154-K157 WeakPolarHBondContact O-CE 3.34Å; E154-K157 WeakPolarHBondContact O-CG 3.49Å; H155-K157 PolarHBondContact O-N 2.98Å; K157-Y159 PolarHBondContact O-N 3.28Å; K157-D160 WeakPolarHBondContact CA-OD2 3.49Å
158F97.8Very high96.9Very high8 Ų845.5 Ų45.54%0.03524%0.235CC..G310 helixtrans-75.7-13.7177.9-63.5-61.5000113.1L92 M124 S127 L128 H155 Q156L92-F158 HydrophobicContact CD2-CE2 3.78Å; L92-F158 HydrophobicContact CD2-CZ 4.01Å; M124-F158 HydrophobicContact CB-CB 4.31Å; M124-F158 HydrophobicContact CB-CD1 4.15Å; M124-F158 HydrophobicContact CB-CD2 4Å; M124-F158 HydrophobicContact CB-CE1 4.5Å; M124-F158 HydrophobicContact CB-CE2 4.36Å; M124-F158 HydrophobicContact CB-CG 3.9Å; M124-F158 HydrophobicContact CG-CB 4.01Å; M124-F158 HydrophobicContact CG-CD2 3.6Å; M124-F158 HydrophobicContact CG-CE2 4.2Å; M124-F158 HydrophobicContact CG-CG 3.81Å; M124-F158 HydrophobicContact SD-CD2 3.88Å; M124-F158 HydrophobicContact SD-CE2 4.03Å; S127-F158 VanDerWaalsContact CB-O 3.25Å; S127-F158 WeakPolarHBondContact CB-O 3.24Å; S127-F158 WeakPolarHBondContact OG-CA 3.4Å; S127-F158 PolarHBondContact OG-O 3.2Å; L128-F158 HydrophobicContact CD1-CE1 4.39Å; L128-F158 HydrophobicContact CD2-CE1 3.74Å; L128-F158 HydrophobicContact CG-CD1 4.44Å; L128-F158 HydrophobicContact CG-CE1 3.85Å; H155-F158 HydrophobicContact CB-CD2 4.15Å; H155-F158 WeakPolarHBondContact O-CB 3.49Å; H155-F158 VanDerWaalsContact O-CD2 3.28Å; H155-F158 WeakPolarHBondContact O-CD2 3.46Å; H155-F158 PolarHBondContact O-N 2.99Å; H155-F158 VanDerWaalsContact O-N 3.08Å; Q156-F158 PolarHBondContact O-N 3.08Å
159Y96.4Very high96.9Very high14 Ų1445.7 Ų45.76%0.05524%0.235CC..G310 helixtrans-116.56.1-171.5-52-61.1000113.4A123 M124 R149 S150 H155 Q156 K157 A161 L186 C189A123-Y159 HydrophobicContact CB-CE1 4.13Å; M124-Y159 VanDerWaalsContact CE-OH 3.27Å; M124-Y159 WeakPolarHBondContact CE-OH 3.25Å; R149-Y159 HydrophobicContact CB-CD2 4.36Å; R149-Y159 HydrophobicContact CB-CE2 4.13Å; R149-Y159 HydrophobicContact CG-CD1 4.14Å; R149-Y159 HydrophobicContact CG-CD2 4.35Å; R149-Y159 HydrophobicContact CG-CE1 4.25Å; R149-Y159 HydrophobicContact CG-CE2 4.45Å; R149-Y159 HydrophobicContact CG-CG 4.2Å; S150-Y159 PolarHBondContact N-OH 2.96Å; S150-Y159 VanDerWaalsContact N-OH 3.09Å; H155-Y159 WeakPolarHBondContact O-CD2 3.49Å; Q156-Y159 PolarHBondContact O-N 2.93Å; K157-Y159 PolarHBondContact O-N 3.28Å; Y159-A161 VanDerWaalsContact C-N 3.32Å; Y159-A161 PolarHBondContact O-N 3.44Å; Y159-L186 HydrophobicContact CD1-CD1 4.07Å; Y159-L186 HydrophobicContact CE1-CD1 3.84Å; Y159-C189 HydrophobicContact CD1-CB 4.4Å
160D91.1Very high97Very high132 Ų13241 Ų4171%0.70622%0.218SC*.SBendtrans-67.9-26.8-172.3-72.8-14.8000114.1K157K157-D160 WeakPolarHBondContact CA-OD2 3.49Å
161A88.9Confident97Very high64 Ų6440.8 Ų40.853%0.52922%0.216SC..SBendtrans-132.5146-179.200000111.1Y159 L163Y159-A161 VanDerWaalsContact C-N 3.32Å; Y159-A161 PolarHBondContact O-N 3.44Å; A161-L163 PolarHBondContact O-N 3.32Å
162P93.9Very high97Very high66 Ų6639.9 Ų39.943%0.42921%0.209SC..  trans-61.4122.3174.4-23.333.9000112.2Q164P162-Q164 PolarHBondContact O-NE2 3.23Å
163L97.8Very high97Very high5 Ų544.5 Ų44.53%0.02623%0.233CC..BIsolated β-bridgetrans-69.9130.6176.3-60.3171.5000110.4C126 S127 E130 A161 I165 C189 F190 Q191C126-L163 HydrophobicContact CB-CD1 3.85Å; S127-L163 VanDerWaalsContact CA-CD2 3.45Å; E130-L163 WeakPolarHBondContact OE2-CA 3.44Å; A161-L163 PolarHBondContact O-N 3.32Å; L163-I165 HydrophobicContact CB-CG2 4.08Å; L163-C189 WeakPolarHBondContact CB-O 3.4Å; L163-C189 VanDerWaalsContact CG-O 3.29Å; L163-C189 WeakPolarHBondContact CG-O 3.4Å; L163-C189 PolarHBondContact N-O 3.3Å; L163-F190 HydrophobicContact CB-CD1 3.88Å; L163-F190 HydrophobicContact CB-CE1 4.13Å; L163-F190 HydrophobicContact CB-CG 4.39Å; L163-F190 HydrophobicContact CD1-CD1 4.1Å; L163-F190 HydrophobicContact CD1-CE1 3.59Å; L163-F190 HydrophobicContact CD1-CE2 4.04Å; L163-F190 HydrophobicContact CD1-CZ 3.56Å; L163-F190 HydrophobicContact CG-CE1 4.5Å; L163-Q191 WeakPolarHBondContact O-CB 3.42Å; L163-Q191 PolarHBondContact O-N 2.85Å
164Q98.2Very high97.1Very high119 Ų11944.8 Ų44.856%0.55623%0.234SC*.  trans-81.6-18.8-179.6-56.5-55.3-64.200113.3E130 P162 P166E130-Q164 PolarHBondContact OE1-N 3.25Å; E130-Q164 PolarHBondContact OE2-N 3.28Å; P162-Q164 PolarHBondContact O-NE2 3.23Å; Q164-P166 WeakPolarHBondContact O-CD 3.44Å
165I98.3Very high97.1Very high8 Ų842 Ų424%0.04122%0.222CC..SBendtrans-58.4124.5177.5-176.5163.6000110.3C126 E130 F139 L163 S167 F190C126-I165 HydrophobicContact CB-CG2 3.7Å; E130-I165 WeakPolarHBondContact OE1-CG2 3.47Å; E130-I165 PolarHBondContact OE1-N 3.43Å; F139-I165 HydrophobicContact CB-CD1 4.11Å; F139-I165 WeakPolarHBondContact O-CD1 3.28Å; L163-I165 HydrophobicContact CB-CG2 4.08Å; I165-S167 PolarHBondContact O-N 2.86Å; I165-F190 HydrophobicContact CG2-CD1 4.37Å; I165-F190 HydrophobicContact CG2-CE1 4.11Å
166P98.7Very high97.1Very high36 Ų3653.1 Ų53.123%0.23426%0.264CS..  trans-56.2129.2176.1-29.136.4000112.2R140 F141 A142 Q164 F217 F221R140-P166 WeakPolarHBondContact O-CD 3.38Å; F141-P166 CarbonylContact C-O 3.58Å; F141-P166 WeakPolarHBondContact CA-O 3.38Å; F141-P166 WeakPolarHBondContact CB-O 3.25Å; A142-P166 PolarHBondContact N-O 2.9Å; Q164-P166 WeakPolarHBondContact O-CD 3.44Å; P166-F217 HydrophobicContact CB-CE2 4.45Å; P166-F221 HydrophobicContact CB-CE1 4.25Å; P166-F221 HydrophobicContact CB-CZ 3.65Å; P166-F221 HydrophobicContact CG-CE1 4.13Å; P166-F221 HydrophobicContact CG-CZ 4.01Å
167S98.8Very high97.1Very high2 Ų254.4 Ų54.41%0.01428%0.275CS..EExtended strand (participates in β ladder)trans-126.5147.7-177.466.30000113.6A142 I165 H169 F190 Q194 F217A142-S167 CarbonylContact O-C 3.53Å; A142-S167 VanDerWaalsContact O-CA 3.26Å; A142-S167 WeakPolarHBondContact O-CA 3.46Å; I165-S167 PolarHBondContact O-N 2.86Å; S167-H169 WeakPolarHBondContact CB-NE2 3.47Å; S167-H169 PolarHBondContact OG-CD2 3.4Å; S167-H169 PolarHBondContact OG-NE2 3.21Å; S167-F190 WeakPolarHBondContact OG-CD1 3.45Å; S167-Q194 PolarHBondContact O-N 3Å; S167-F217 VanDerWaalsContact C-CE2 3.47Å; S167-F217 WeakPolarHBondContact O-CE2 3.36Å
168L98.8Very high97.2Very high0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-116113166.3175.863.3000108.6A142 I143 L144 V170 Q194 L196 Y214 F217A142-L168 PolarHBondContact O-N 2.92Å; I143-L168 CarbonylContact C-O 3.51Å; I143-L168 WeakPolarHBondContact CA-O 3.4Å; I143-L168 HydrophobicContact CG1-CB 4.35Å; I143-L168 HydrophobicContact CG2-CD2 4.38Å; L144-L168 PolarHBondContact N-O 2.98Å; L168-V170 HydrophobicContact CD2-CG2 4.26Å; L168-V170 HydrophobicContact CG-CG2 3.93Å; L168-Q194 CarbonylContact C-O 3.59Å; L168-Q194 WeakPolarHBondContact CA-O 3.45Å; L168-Q194 HydrophobicContact CD1-CB 3.91Å; L168-L196 HydrophobicContact CD1-CB 4.25Å; L168-Y214 HydrophobicContact CD2-CD1 3.57Å; L168-Y214 HydrophobicContact CD2-CE1 3.75Å; L168-F217 HydrophobicContact CB-CD1 3.85Å; L168-F217 HydrophobicContact CB-CD2 3.96Å; L168-F217 HydrophobicContact CB-CE1 3.82Å; L168-F217 HydrophobicContact CB-CE2 3.93Å; L168-F217 HydrophobicContact CB-CG 3.9Å; L168-F217 HydrophobicContact CB-CZ 3.85Å; L168-F217 HydrophobicContact CD2-CB 4.25Å; L168-F217 HydrophobicContact CD2-CD1 4.15Å; L168-F217 HydrophobicContact CD2-CG 4.23Å
169H98.8Very high97.2Very high4 Ų450.2 Ų50.22%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-96.6126177.2-66.8-112.8000109.8L144 S167 F171 L187 F190 P193 Q194 L195 L196L144-H169 WeakPolarHBondContact O-CA 3.48Å; S167-H169 WeakPolarHBondContact CB-NE2 3.47Å; S167-H169 PolarHBondContact OG-CD2 3.4Å; S167-H169 PolarHBondContact OG-NE2 3.21Å; H169-F171 HydrophobicContact CB-CD1 4.48Å; H169-F171 HydrophobicContact CB-CE1 4.36Å; H169-L187 HydrophobicContact CB-CD2 3.72Å; H169-F190 AromaticContact CE1-CD2 3.39Å; H169-F190 WeakPolarHBondContact CE1-CD2 3.41Å; H169-F190 AromaticContact CE1-CE2 3.57Å; H169-F190 AromaticContact NE2-CD2 3.42Å; H169-F190 WeakPolarHBondContact NE2-CD2 3.43Å; H169-F190 AromaticContact NE2-CE2 3.86Å; H169-F190 AromaticContact NE2-CG 3.54Å; H169-P193 VanDerWaalsContact CD2-CB 3.48Å; H169-P193 WeakPolarHBondContact CD2-CB 3.06Å; H169-Q194 PolarHBondContact N-O 3.06Å; H169-L195 HydrophobicContact CB-CD2 3.97Å; H169-L195 CarbonylContact O-C 3.43Å; H169-L195 WeakPolarHBondContact O-CA 3.47Å; H169-L196 PolarHBondContact O-N 3Å
170V98.8Very high97.2Very high1 Ų151.8 Ų51.81%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-123.9121.6-174.2-173.50000108.7I143 L144 V145 A146 L168 L196 P205 Y214I143-V170 HydrophobicContact CG2-CG2 4.27Å; L144-V170 PolarHBondContact O-N 3Å; V145-V170 CarbonylContact C-O 3.59Å; V145-V170 WeakPolarHBondContact CA-O 3.35Å; V145-V170 HydrophobicContact CB-CB 4.31Å; V145-V170 HydrophobicContact CG1-CB 4.15Å; V145-V170 HydrophobicContact CG1-CG1 4.16Å; V145-V170 HydrophobicContact CG2-CB 4.04Å; V145-V170 HydrophobicContact CG2-CG2 4.25Å; A146-V170 PolarHBondContact N-O 3.03Å; L168-V170 HydrophobicContact CD2-CG2 4.26Å; L168-V170 HydrophobicContact CG-CG2 3.93Å; V170-L196 VanDerWaalsContact CA-O 3.28Å; V170-L196 WeakPolarHBondContact CA-O 3.4Å; V170-L196 HydrophobicContact CB-CB 4.48Å; V170-L196 HydrophobicContact CG1-CB 4.24Å; V170-L196 HydrophobicContact CG1-CD2 4.15Å; V170-L196 HydrophobicContact CG2-CB 4.07Å; V170-P205 HydrophobicContact CG1-CG 3.29Å; V170-Y214 HydrophobicContact CG2-CE1 4.29Å
171F98.6Very high97.6Very high2 Ų248.4 Ų48.41%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-153.3154.5179.351.4-92.3000112.9H169 D180 R184 L195 L196 I197 H198H169-F171 HydrophobicContact CB-CD1 4.48Å; H169-F171 HydrophobicContact CB-CE1 4.36Å; F171-D180 HydrophobicContact CD2-CB 3.96Å; F171-D180 HydrophobicContact CE2-CB 4.29Å; F171-R184 HydrophobicContact CE2-CG 4.29Å; F171-R184 HydrophobicContact CZ-CG 4.13Å; F171-L195 HydrophobicContact CE1-CD2 4.19Å; F171-L196 PolarHBondContact N-O 3.38Å; F171-L196 VanDerWaalsContact N-O 3.17Å; F171-I197 HydrophobicContact CD2-CG1 4.39Å; F171-I197 HydrophobicContact CE1-CG1 4.5Å; F171-I197 HydrophobicContact CE2-CD1 3.91Å; F171-I197 HydrophobicContact CE2-CG1 3.78Å; F171-I197 HydrophobicContact CE2-CG2 4.39Å; F171-I197 HydrophobicContact CZ-CD1 3.93Å; F171-I197 HydrophobicContact CZ-CG1 3.84Å; F171-I197 WeakPolarHBondContact O-CA 3.44Å; F171-H198 PolarHBondContact O-CD2 2.82Å; F171-H198 PolarHBondContact O-N 3.06Å; F171-H198 VanDerWaalsContact O-N 3.1Å
172G98.4Very high98Very high1 Ų146.7 Ų46.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-96.9139.5-175.800000112.6E174 D175 H198 G200G172-E174 VanDerWaalsContact C-N 3.27Å; G172-E174 PolarHBondContact O-N 3.27Å; G172-D175 WeakPolarHBondContact O-CB 3.5Å; G172-D175 PolarHBondContact O-N 3.3Å; G172-H198 CarbonylContact C-O 3.56Å; G172-H198 WeakPolarHBondContact CA-CE1 3.48Å; G172-H198 WeakPolarHBondContact CA-O 3.46Å; G172-H198 PolarHBondContact N-NE2 3.16Å; G172-G200 CarbonylContact C-O 3.5Å; G172-G200 WeakPolarHBondContact CA-O 3.26Å
173L98.2Very high98.3Very high97 Ų9743.7 Ų43.751%0.50822%0.219SC..THydrogen-bonded Turntrans-71-23.1176.6-64.9177.5000113.1I197 H198 G200L173-I197 HydrophobicContact CD1-CG2 4.22Å; L173-I197 HydrophobicContact CD2-CG2 3.55Å; L173-I197 HydrophobicContact CG-CG2 3.68Å; L173-H198 PolarHBondContact N-O 2.86Å; L173-G200 PolarHBondContact N-O 2.59Å
174E98.3Very high98.3Very high136 Ų13648.2 Ų48.264%0.63624%0.236SC*.THydrogen-bonded Turntrans-106.416.6179.1-67.7178.6-18000112.2G172 R176 P199 G200G172-E174 VanDerWaalsContact C-N 3.27Å; G172-E174 PolarHBondContact O-N 3.27Å; E174-R176 PolarHBondContact O-N 3.43Å; E174-P199 WeakPolarHBondContact CB-O 3.24Å; E174-P199 VanDerWaalsContact CD-O 3.26Å; E174-P199 WeakPolarHBondContact CG-O 3.48Å; E174-G200 PolarHBondContact N-O 3.18Å
175D98.5Very high98.3Very high10 Ų1047 Ų475%0.05323%0.233CC..  trans-69.9114.2178.7-166.7-23.4000110.5G172 V177 I178 P179 H202G172-D175 WeakPolarHBondContact O-CB 3.5Å; G172-D175 PolarHBondContact O-N 3.3Å; D175-V177 PolarHBondContact OD1-N 3.16Å; D175-I178 VanDerWaalsContact CB-O 3.28Å; D175-I178 WeakPolarHBondContact CB-O 3.35Å; D175-I178 PolarHBondContact OD1-N 3.44Å; D175-P179 WeakPolarHBondContact O-CA 3.31Å; D175-H202 WeakPolarHBondContact OD1-CB 3.5Å; D175-H202 IonicContact OD1-CG 3.32Å; D175-H202 IonicContact OD1-ND1 3.67Å; D175-H202 PolarHBondContact OD1-ND1 2.9Å; D175-H202 WeakPolarHBondContact OD2-CA 3.35Å; D175-H202 IonicContact OD2-CE1 3.03Å; D175-H202 IonicContact OD2-CG 3.62Å; D175-H202 IonicContact OD2-ND1 3.29Å; D175-H202 PolarHBondContact OD2-ND1 3.39Å
176R97.5Very high98.3Very high235 Ų23546.7 Ų46.789%0.88723%0.231SC*.SBendtrans-96.8-7.9178.4-61.8-174.6-177.4-179.30.1113.2E174E174-R176 PolarHBondContact O-N 3.43Å
177V97.3Very high98.3Very high83 Ų8346.2 Ų46.250%0.50323%0.227SC..SBendtrans-90.1-49.9178.2-179.20000108.9D175 H202D175-V177 PolarHBondContact OD1-N 3.16Å; V177-H202 HydrophobicContact CB-CB 4.07Å; V177-H202 HydrophobicContact CG2-CB 3.89Å
178I98.2Very high98.2Very high2 Ų250.7 Ų50.71%0.0126%0.255CS..SBendtrans-121.789.8171.4-54.8-60.4000106.9A82 A146 F148 D175 M182A82-I178 HydrophobicContact CB-CD1 3.38Å; A146-I178 HydrophobicContact CB-CB 4.43Å; F148-I178 HydrophobicContact CB-CG2 4.02Å; F148-I178 HydrophobicContact CD1-CD1 3.49Å; F148-I178 VanDerWaalsContact CD1-CD1 3.49Å; F148-I178 HydrophobicContact CD1-CG1 3.98Å; F148-I178 HydrophobicContact CD1-CG2 4.01Å; F148-I178 HydrophobicContact CE1-CD1 3.66Å; F148-I178 HydrophobicContact CE1-CG1 4.31Å; F148-I178 HydrophobicContact CG-CD1 4.15Å; F148-I178 HydrophobicContact CG-CG2 4.36Å; F148-I178 HydrophobicContact CZ-CD1 4.48Å; D175-I178 VanDerWaalsContact CB-O 3.28Å; D175-I178 WeakPolarHBondContact CB-O 3.35Å; D175-I178 PolarHBondContact OD1-N 3.44Å; I178-M182 HydrophobicContact CG2-CB 3.97Å
179P97.9Very high98.2Very high38 Ų3851 Ų5125%0.24726%0.257CS..  trans-49.7145.1175-28.635.7000112.2D175 S181 M182D175-P179 WeakPolarHBondContact O-CA 3.31Å; P179-S181 PolarHBondContact O-N 3.3Å; P179-M182 WeakPolarHBondContact O-CB 3.43Å; P179-M182 PolarHBondContact O-N 3.33Å
180D97.3Very high98.2Very high47 Ų4751.1 Ų51.125%0.25126%0.258SS..Hα-helixtrans-57.7-29.4-174.981.8-59.1000112.5F171 M182 S183 R184F171-D180 HydrophobicContact CD2-CB 3.96Å; F171-D180 HydrophobicContact CE2-CB 4.29Å; D180-M182 VanDerWaalsContact C-N 3.31Å; D180-M182 PolarHBondContact O-N 2.89Å; D180-S183 PolarHBondContact O-N 3.47Å; D180-S183 VanDerWaalsContact O-N 3.14Å; D180-R184 VanDerWaalsContact O-CG 3.3Å; D180-R184 WeakPolarHBondContact O-CG 3.35Å; D180-R184 PolarHBondContact O-N 2.87Å; D180-R184 IonicContact OD2-CZ 3.58Å; D180-R184 IonicContact OD2-NE 2.79Å; D180-R184 PolarHBondContact OD2-NE 2.94Å; D180-R184 IonicContact OD2-NH2 3.47Å; D180-R184 PolarHBondContact OD2-NH2 3.47Å
181S98.3Very high98.1Very high61 Ų6155 Ų5543%0.42728%0.276SS..Hα-helixtrans-54.6-43.4171.463.50000112.6P179 S183 R184 D185P179-S181 PolarHBondContact O-N 3.3Å; S181-S183 VanDerWaalsContact C-N 3.32Å; S181-S183 PolarHBondContact O-N 3.18Å; S181-R184 WeakPolarHBondContact O-CB 3.47Å; S181-R184 PolarHBondContact O-N 2.98Å; S181-D185 PolarHBondContact O-N 3.06Å
182M98.6Very high98Very high28 Ų2861 Ų6114%0.13831%0.308CS..Hα-helixtrans-67-34.4178.4-64.7-177.265.200112.1A82 Q83 F148 I178 P179 D180A82-M182 HydrophobicContact CB-CE 3.98Å; Q83-M182 HydrophobicContact CG-CE 3.98Å; Q83-M182 HydrophobicContact CG-SD 3.8Å; F148-M182 HydrophobicContact CB-CB 3.97Å; F148-M182 HydrophobicContact CB-CE 4Å; F148-M182 HydrophobicContact CD2-CE 4.07Å; F148-M182 HydrophobicContact CG-CE 4.12Å; I178-M182 HydrophobicContact CG2-CB 3.97Å; P179-M182 WeakPolarHBondContact O-CB 3.43Å; P179-M182 PolarHBondContact O-N 3.33Å; D180-M182 VanDerWaalsContact C-N 3.31Å; D180-M182 PolarHBondContact O-N 2.89Å
183S98.5Very high98Very high3 Ų362.5 Ų62.52%0.02132%0.318CS..Hα-helixtrans-71.5-35.2173-66.80000112.7G147 D180 S181 L186G147-S183 WeakPolarHBondContact O-CA 3.33Å; G147-S183 WeakPolarHBondContact O-CB 3.48Å; G147-S183 PolarHBondContact O-OG 3.46Å; D180-S183 PolarHBondContact O-N 3.47Å; D180-S183 VanDerWaalsContact O-N 3.14Å; S181-S183 VanDerWaalsContact C-N 3.32Å; S181-S183 PolarHBondContact O-N 3.18Å; S183-L186 PolarHBondContact O-N 2.89Å
184R98.6Very high98Very high100 Ų10060.7 Ų60.738%0.37731%0.307SS..Hα-helixtrans-66.4-37.1173.7-71172.4-173.9-74.5-0.2112.1F171 D180 S181 L186 L187 P188F171-R184 HydrophobicContact CE2-CG 4.29Å; F171-R184 HydrophobicContact CZ-CG 4.13Å; D180-R184 VanDerWaalsContact O-CG 3.3Å; D180-R184 WeakPolarHBondContact O-CG 3.35Å; D180-R184 PolarHBondContact O-N 2.87Å; D180-R184 IonicContact OD2-CZ 3.58Å; D180-R184 IonicContact OD2-NE 2.79Å; D180-R184 PolarHBondContact OD2-NE 2.94Å; D180-R184 IonicContact OD2-NH2 3.47Å; D180-R184 PolarHBondContact OD2-NH2 3.47Å; S181-R184 WeakPolarHBondContact O-CB 3.47Å; S181-R184 PolarHBondContact O-N 2.98Å; R184-L186 PolarHBondContact O-N 3.46Å; R184-L187 HydrophobicContact CB-CD1 4.41Å; R184-L187 HydrophobicContact CG-CD1 4.32Å; R184-L187 WeakPolarHBondContact O-CB 3.4Å; R184-L187 WeakPolarHBondContact O-CG 3.18Å; R184-L187 PolarHBondContact O-N 3.47Å; R184-P188 WeakPolarHBondContact O-CD 3.29Å
185D98.1Very high98Very high94 Ų9457.2 Ų57.250%0.50329%0.292SS..Hα-helixtrans-62.9-21.9177.6-69.7-20.4000113.2R149 S181R149-D185 WeakPolarHBondContact CD-O 3.24Å; S181-D185 PolarHBondContact O-N 3.06Å
186L98.4Very high98Very high0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-81.7-22.3174.6-174.462.8000113A123 L144 R149 Y159 S183 R184 C189 F190A123-L186 HydrophobicContact CB-CD1 4.15Å; A123-L186 HydrophobicContact CB-CD2 4.45Å; L144-L186 HydrophobicContact CD2-CD2 3.92Å; R149-L186 HydrophobicContact CG-CB 4.22Å; R149-L186 HydrophobicContact CG-CD1 3.68Å; Y159-L186 HydrophobicContact CD1-CD1 4.07Å; Y159-L186 HydrophobicContact CE1-CD1 3.84Å; S183-L186 PolarHBondContact O-N 2.89Å; R184-L186 PolarHBondContact O-N 3.46Å; L186-C189 HydrophobicContact CD1-CB 4.21Å; L186-C189 VanDerWaalsContact O-CB 3.26Å; L186-C189 WeakPolarHBondContact O-CB 3.17Å; L186-C189 PolarHBondContact O-N 2.69Å; L186-C189 VanDerWaalsContact O-N 3.08Å; L186-F190 HydrophobicContact CD1-CE2 4.07Å; L186-F190 HydrophobicContact CD2-CE2 4.35Å; L186-F190 HydrophobicContact CG-CD2 4.45Å; L186-F190 HydrophobicContact CG-CE2 3.98Å
187L98.4Very high98Very high27 Ų2749 Ų4914%0.14127%0.265CS..G310 helixtrans-59.4-42.2-174.8-59.6176.6000113.8H169 R184 C189 F190 P193 L195H169-L187 HydrophobicContact CB-CD2 3.72Å; R184-L187 HydrophobicContact CB-CD1 4.41Å; R184-L187 HydrophobicContact CG-CD1 4.32Å; R184-L187 WeakPolarHBondContact O-CB 3.4Å; R184-L187 WeakPolarHBondContact O-CG 3.18Å; R184-L187 PolarHBondContact O-N 3.47Å; L187-C189 PolarHBondContact O-N 3.05Å; L187-C189 VanDerWaalsContact O-N 3.09Å; L187-F190 PolarHBondContact O-N 2.96Å; L187-P193 HydrophobicContact CB-CG 4.19Å; L187-P193 HydrophobicContact CD2-CB 4.19Å; L187-P193 HydrophobicContact CD2-CG 4.11Å; L187-L195 HydrophobicContact CD1-CD1 4.39Å; L187-L195 HydrophobicContact CD1-CD2 3.93Å; L187-L195 HydrophobicContact CD2-CD2 3.47Å; L187-L195 VanDerWaalsContact CD2-CD2 3.47Å; L187-L195 HydrophobicContact CG-CD2 4.35Å
188P97.7Very high98Very high95 Ų9545.3 Ų45.362%0.61724%0.242SC*.G310 helixtrans-63.2-15.7177.9-22.935.2000114.1R184 F190R184-P188 WeakPolarHBondContact O-CD 3.29Å; P188-F190 PolarHBondContact O-N 3.4Å
189C97.8Very high98Very high6 Ų649.5 Ų49.54%0.04127%0.27CS..G310 helixtrans-78.9-2.1176-53.80000112.9Y159 L163 L186 L187Y159-C189 HydrophobicContact CD1-CB 4.4Å; L163-C189 WeakPolarHBondContact CB-O 3.4Å; L163-C189 VanDerWaalsContact CG-O 3.29Å; L163-C189 WeakPolarHBondContact CG-O 3.4Å; L163-C189 PolarHBondContact N-O 3.3Å; L186-C189 HydrophobicContact CD1-CB 4.21Å; L186-C189 VanDerWaalsContact O-CB 3.26Å; L186-C189 WeakPolarHBondContact O-CB 3.17Å; L186-C189 PolarHBondContact O-N 2.69Å; L186-C189 VanDerWaalsContact O-N 3.08Å; L187-C189 PolarHBondContact O-N 3.05Å; L187-C189 VanDerWaalsContact O-N 3.09Å
190F98.5Very high98Very high7 Ų748.5 Ų48.53%0.03127%0.267CS..BIsolated β-bridgetrans-127.3143.8178.4-70.3-97.1000110.2A123 L144 L163 I165 S167 H169 L186 L187 P188 P193A123-F190 HydrophobicContact CB-CE2 4.13Å; A123-F190 HydrophobicContact CB-CZ 3.9Å; L144-F190 HydrophobicContact CD1-CE1 4.3Å; L144-F190 HydrophobicContact CD1-CZ 4.12Å; L144-F190 HydrophobicContact CD2-CE2 4.12Å; L144-F190 HydrophobicContact CD2-CZ 3.77Å; L163-F190 HydrophobicContact CB-CD1 3.88Å; L163-F190 HydrophobicContact CB-CE1 4.13Å; L163-F190 HydrophobicContact CB-CG 4.39Å; L163-F190 HydrophobicContact CD1-CD1 4.1Å; L163-F190 HydrophobicContact CD1-CE1 3.59Å; L163-F190 HydrophobicContact CD1-CE2 4.04Å; L163-F190 HydrophobicContact CD1-CZ 3.56Å; L163-F190 HydrophobicContact CG-CE1 4.5Å; I165-F190 HydrophobicContact CG2-CD1 4.37Å; I165-F190 HydrophobicContact CG2-CE1 4.11Å; S167-F190 WeakPolarHBondContact OG-CD1 3.45Å; H169-F190 AromaticContact CE1-CD2 3.39Å; H169-F190 WeakPolarHBondContact CE1-CD2 3.41Å; H169-F190 AromaticContact CE1-CE2 3.57Å; H169-F190 AromaticContact NE2-CD2 3.42Å; H169-F190 WeakPolarHBondContact NE2-CD2 3.43Å; H169-F190 AromaticContact NE2-CE2 3.86Å; H169-F190 AromaticContact NE2-CG 3.54Å; L186-F190 HydrophobicContact CD1-CE2 4.07Å; L186-F190 HydrophobicContact CD2-CE2 4.35Å; L186-F190 HydrophobicContact CG-CD2 4.45Å; L186-F190 HydrophobicContact CG-CE2 3.98Å; L187-F190 PolarHBondContact O-N 2.96Å; P188-F190 PolarHBondContact O-N 3.4Å; F190-P193 HydrophobicContact CB-CB 4.17Å; F190-P193 WeakPolarHBondContact O-CD 3.47Å
191Q97.9Very high98Very high82 Ų8247.3 Ų47.338%0.38327%0.265SS..SBendtrans-78.5121.6173.3-175.460.249.400109.7L163L163-Q191 WeakPolarHBondContact O-CB 3.42Å; L163-Q191 PolarHBondContact O-N 2.85Å
192D96.6Very high98Very high128 Ų12847 Ų4768%0.68426%0.257SS*.SBendtrans48.254.6177.5-57.4-49.5000114.9Q194D192-Q194 PolarHBondContact O-N 2.74Å
193P97.7Very high98Very high34 Ų3450.2 Ų50.222%0.22127%0.27CS..  trans-64.8132.9-177.227.8-34.5000111H169 L187 F190H169-P193 VanDerWaalsContact CD2-CB 3.48Å; H169-P193 WeakPolarHBondContact CD2-CB 3.06Å; L187-P193 HydrophobicContact CB-CG 4.19Å; L187-P193 HydrophobicContact CD2-CB 4.19Å; L187-P193 HydrophobicContact CD2-CG 4.11Å; F190-P193 HydrophobicContact CB-CB 4.17Å; F190-P193 WeakPolarHBondContact O-CD 3.47Å
194Q98.3Very high97.9Very high59 Ų5951 Ų5128%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-80.2146.3170.1-64.7-166.97.800110.3S167 L168 H169 D192 F217S167-Q194 PolarHBondContact O-N 3Å; L168-Q194 CarbonylContact C-O 3.59Å; L168-Q194 WeakPolarHBondContact CA-O 3.45Å; L168-Q194 HydrophobicContact CD1-CB 3.91Å; H169-Q194 PolarHBondContact N-O 3.06Å; D192-Q194 PolarHBondContact O-N 2.74Å; Q194-F217 HydrophobicContact CB-CD2 4.43Å; Q194-F217 HydrophobicContact CG-CD2 4.35Å
195L98.3Very high97.8Very high62 Ų6246.3 Ų46.333%0.32526%0.257SS..EExtended strand (participates in β ladder)trans-118139.2-174.8-54.9-177000111.8H169 F171 L187 I197 M213H169-L195 HydrophobicContact CB-CD2 3.97Å; H169-L195 CarbonylContact O-C 3.43Å; H169-L195 WeakPolarHBondContact O-CA 3.47Å; F171-L195 HydrophobicContact CE1-CD2 4.19Å; L187-L195 HydrophobicContact CD1-CD1 4.39Å; L187-L195 HydrophobicContact CD1-CD2 3.93Å; L187-L195 HydrophobicContact CD2-CD2 3.47Å; L187-L195 VanDerWaalsContact CD2-CD2 3.47Å; L187-L195 HydrophobicContact CG-CD2 4.35Å; L195-I197 HydrophobicContact CB-CG1 4.46Å; L195-M213 WeakPolarHBondContact O-CE 3.47Å
196L98.2Very high97.7Very high5 Ų543 Ų433%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-128.9101.1163.9-165.4171.8000108.3L168 H169 V170 F171 P205 H210 M213 Y214L168-L196 HydrophobicContact CD1-CB 4.25Å; H169-L196 PolarHBondContact O-N 3Å; V170-L196 VanDerWaalsContact CA-O 3.28Å; V170-L196 WeakPolarHBondContact CA-O 3.4Å; V170-L196 HydrophobicContact CB-CB 4.48Å; V170-L196 HydrophobicContact CG1-CB 4.24Å; V170-L196 HydrophobicContact CG1-CD2 4.15Å; V170-L196 HydrophobicContact CG2-CB 4.07Å; F171-L196 PolarHBondContact N-O 3.38Å; F171-L196 VanDerWaalsContact N-O 3.17Å; L196-P205 HydrophobicContact CD2-CG 4.19Å; L196-H210 HydrophobicContact CD1-CB 4.11Å; L196-H210 HydrophobicContact CD2-CB 4.47Å; L196-M213 HydrophobicContact CD1-CB 3.92Å; L196-M213 HydrophobicContact CG-CB 4.28Å; L196-Y214 HydrophobicContact CD1-CD2 3.99Å; L196-Y214 HydrophobicContact CD1-CE1 4.32Å; L196-Y214 HydrophobicContact CD1-CE2 3.58Å
197I98Very high97.4Very high68 Ų6845.5 Ų45.535%0.34926%0.264SS..EExtended strand (participates in β ladder)trans-99.8131.5179.8-54.2176.4000108.4F171 L173 L195F171-I197 HydrophobicContact CD2-CG1 4.39Å; F171-I197 HydrophobicContact CE1-CG1 4.5Å; F171-I197 HydrophobicContact CE2-CD1 3.91Å; F171-I197 HydrophobicContact CE2-CG1 3.78Å; F171-I197 HydrophobicContact CE2-CG2 4.39Å; F171-I197 HydrophobicContact CZ-CD1 3.93Å; F171-I197 HydrophobicContact CZ-CG1 3.84Å; F171-I197 WeakPolarHBondContact O-CA 3.44Å; L173-I197 HydrophobicContact CD1-CG2 4.22Å; L173-I197 HydrophobicContact CD2-CG2 3.55Å; L173-I197 HydrophobicContact CG-CG2 3.68Å; L195-I197 HydrophobicContact CB-CG1 4.46Å
198H97.6Very high97Very high5 Ų547.9 Ų47.92%0.02329%0.287CS..EExtended strand (participates in β ladder)trans-124.8157.2178.664.686.1000111.7F171 G172 L173 G200 G201 F203 P205F171-H198 PolarHBondContact O-CD2 2.82Å; F171-H198 PolarHBondContact O-N 3.06Å; F171-H198 VanDerWaalsContact O-N 3.1Å; G172-H198 CarbonylContact C-O 3.56Å; G172-H198 WeakPolarHBondContact CA-CE1 3.48Å; G172-H198 WeakPolarHBondContact CA-O 3.46Å; G172-H198 PolarHBondContact N-NE2 3.16Å; L173-H198 PolarHBondContact N-O 2.86Å; H198-G200 VanDerWaalsContact C-N 3.33Å; H198-G200 PolarHBondContact ND1-N 3.28Å; H198-G200 PolarHBondContact O-N 2.86Å; H198-G201 PolarHBondContact CE1-O 3.31Å; H198-F203 AromaticContact CE1-CE1 3.86Å; H198-F203 AromaticContact CE1-CZ 3.84Å; H198-F203 AromaticContact ND1-CZ 3.78Å; H198-P205 HydrophobicContact CB-CB 4.45Å
199P97.4Very high96.7Very high91 Ų9147.4 Ų47.459%0.59129%0.291SS*.SBendtrans-76.7-17.5-17429.7-35.8000114.1E174E174-P199 WeakPolarHBondContact CB-O 3.24Å; E174-P199 VanDerWaalsContact CD-O 3.26Å; E174-P199 WeakPolarHBondContact CG-O 3.48Å
200G97.4Very high96.4Very high17 Ų1748.8 Ų48.818%0.17530%0.297CS..SBendtrans-82.2-174-175.300000115.8G172 L173 E174 H198G172-G200 CarbonylContact C-O 3.5Å; G172-G200 WeakPolarHBondContact CA-O 3.26Å; L173-G200 PolarHBondContact N-O 2.59Å; E174-G200 PolarHBondContact N-O 3.18Å; H198-G200 VanDerWaalsContact C-N 3.33Å; H198-G200 PolarHBondContact ND1-N 3.28Å; H198-G200 PolarHBondContact O-N 2.86Å
201G98Very high96.2Very high21 Ų2153.6 Ų53.622%0.21632%0.315CS..SBendtrans-88.5-144.1-179.200000116.2H198 F203H198-G201 PolarHBondContact CE1-O 3.31Å; G201-F203 VanDerWaalsContact O-CD1 3.27Å; G201-F203 WeakPolarHBondContact O-CD1 3.21Å; G201-F203 PolarHBondContact O-N 3.42Å
202H98.1Very high96Very high54 Ų5454.8 Ų54.825%0.2532%0.32CS..SBendtrans-78.477.9-169.2-161.663.4000114.7F115 S116 D175 V177F115-H202 AromaticContact CE1-NE2 3.75Å; F115-H202 AromaticContact CZ-CD2 3.5Å; F115-H202 VanDerWaalsContact CZ-CD2 3.5Å; F115-H202 WeakPolarHBondContact CZ-CD2 3.39Å; F115-H202 AromaticContact CZ-CE1 3.87Å; F115-H202 AromaticContact CZ-NE2 3.41Å; F115-H202 WeakPolarHBondContact CZ-NE2 3.26Å; S116-H202 VanDerWaalsContact CB-CE1 3.5Å; S116-H202 WeakPolarHBondContact CB-CE1 3.44Å; S116-H202 VanDerWaalsContact CB-NE2 3.31Å; S116-H202 WeakPolarHBondContact CB-NE2 3.35Å; S116-H202 PolarHBondContact OG-CE1 3.29Å; S116-H202 VanDerWaalsContact OG-CE1 3.28Å; S116-H202 PolarHBondContact OG-NE2 2.81Å; D175-H202 WeakPolarHBondContact OD1-CB 3.5Å; D175-H202 IonicContact OD1-CG 3.32Å; D175-H202 IonicContact OD1-ND1 3.67Å; D175-H202 PolarHBondContact OD1-ND1 2.9Å; D175-H202 WeakPolarHBondContact OD2-CA 3.35Å; D175-H202 IonicContact OD2-CE1 3.03Å; D175-H202 IonicContact OD2-CG 3.62Å; D175-H202 IonicContact OD2-ND1 3.29Å; D175-H202 PolarHBondContact OD2-ND1 3.39Å; V177-H202 HydrophobicContact CB-CB 4.07Å; V177-H202 HydrophobicContact CG2-CB 3.89Å
203F97.8Very high96Very high97 Ų9752.5 Ų52.543%0.42531%0.307SS..SBendtrans-151.3171.217866.3-87.7000113.1H198 G201 P205H198-F203 AromaticContact CE1-CE1 3.86Å; H198-F203 AromaticContact CE1-CZ 3.84Å; H198-F203 AromaticContact ND1-CZ 3.78Å; G201-F203 VanDerWaalsContact O-CD1 3.27Å; G201-F203 WeakPolarHBondContact O-CD1 3.21Å; G201-F203 PolarHBondContact O-N 3.42Å; F203-P205 HydrophobicContact CE2-CB 4.11Å; F203-P205 WeakPolarHBondContact O-CD 3.35Å
204V97.7Very high96Very high20 Ų2050.9 Ų50.912%0.12130%0.296CS..  trans-87.2111.6173.9-1770000110.1F19 T23 L26 F115 V145 A206F19-V204 HydrophobicContact CE2-CG2 4.15Å; T23-V204 HydrophobicContact CG2-CB 4.3Å; T23-V204 HydrophobicContact CG2-CG1 4.31Å; T23-V204 HydrophobicContact CG2-CG2 4.01Å; L26-V204 HydrophobicContact CB-CG1 4.49Å; L26-V204 HydrophobicContact CD2-CG1 3.78Å; F115-V204 HydrophobicContact CB-CG2 4.43Å; F115-V204 HydrophobicContact CD2-CG2 3.71Å; F115-V204 HydrophobicContact CE2-CG2 4.21Å; F115-V204 HydrophobicContact CG-CG2 4.14Å; V145-V204 HydrophobicContact CG1-CB 4.45Å; V145-V204 HydrophobicContact CG1-CG2 4.09Å; V145-V204 HydrophobicContact CG2-CG1 4.43Å; V204-A206 PolarHBondContact O-N 3.05Å
205P96.4Very high95.8Very high1 Ų150.2 Ų50.21%0.00629%0.293CS..  trans-72.6128.5-173.930.7-36.7000111.9V170 L196 H198 F203 Y214V170-P205 HydrophobicContact CG1-CG 3.29Å; L196-P205 HydrophobicContact CD2-CG 4.19Å; H198-P205 HydrophobicContact CB-CB 4.45Å; F203-P205 HydrophobicContact CE2-CB 4.11Å; F203-P205 WeakPolarHBondContact O-CD 3.35Å; P205-Y214 WeakPolarHBondContact O-CE2 3.48Å; P205-Y214 PolarHBondContact O-OH 3.08Å
206A95.3Very high95.7Very high23 Ų2351 Ų5119%0.1930%0.298CS..  trans-134.719.3-178.400000113.6A25 L26 V204A25-A206 HydrophobicContact CB-CB 3.59Å; L26-A206 HydrophobicContact CB-CB 4.12Å; V204-A206 PolarHBondContact O-N 3.05Å
207A92.7Very high95.7Very high54 Ų5450.8 Ų50.845%0.44630%0.297SS..  trans-64.5151.3174.100000111.3A209 H210A207-A209 PolarHBondContact O-N 3.45Å; A207-H210 WeakPolarHBondContact O-CB 3.32Å; A207-H210 PolarHBondContact O-N 2.88Å
208A89.4Confident95.7Very high76 Ų7647.6 Ų47.663%0.62828%0.28SS*.G310 helixtrans-56.9-34.6-178.800000113H210 R211A208-H210 PolarHBondContact O-N 3.21Å; A208-R211 VanDerWaalsContact O-CB 3.29Å; A208-R211 WeakPolarHBondContact O-CB 3.25Å; A208-R211 PolarHBondContact O-N 3.03Å; A208-R211 VanDerWaalsContact O-N 3.13Å
209A91.5Very high95.6Very high86 Ų8654.7 Ų54.771%0.71131%0.311SS*.G310 helixtrans-59.3-27.1176.300000113.4A207A207-A209 PolarHBondContact O-N 3.45Å
210H91.9Very high95.4Very high35 Ų3556.9 Ų56.916%0.16231%0.307CS..G310 helixtrans-87.8-12.8-179.1-55.3143.7000113.2L196 A207 A208 Q212 M213 Y214L196-H210 HydrophobicContact CD1-CB 4.11Å; L196-H210 HydrophobicContact CD2-CB 4.47Å; A207-H210 WeakPolarHBondContact O-CB 3.32Å; A207-H210 PolarHBondContact O-N 2.88Å; A208-H210 PolarHBondContact O-N 3.21Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.13Å; H210-M213 PolarHBondContact O-N 3.05Å; H210-Y214 HydrophobicContact CB-CD2 4.44Å; H210-Y214 HydrophobicContact CB-CE2 4.22Å; H210-Y214 VanDerWaalsContact O-CD2 3.31Å; H210-Y214 WeakPolarHBondContact O-CD2 3.4Å; H210-Y214 PolarHBondContact O-N 2.98Å
211R93.3Very high95.4Very high108 Ų10856.9 Ų56.941%0.40830%0.303SS..Hα-helixtrans-56.5-45.8-174-178.2-176.5-70.9165.92.3112.1L29 A208 M213 Y214 Q215L29-R211 HydrophobicContact CD1-CB 4.09Å; L29-R211 HydrophobicContact CD1-CG 4.34Å; L29-R211 VanDerWaalsContact CD1-NE 3.31Å; L29-R211 HydrophobicContact CD2-CB 4.06Å; L29-R211 HydrophobicContact CD2-CG 4.49Å; L29-R211 HydrophobicContact CG-CB 4.1Å; L29-R211 HydrophobicContact CG-CG 4.13Å; A208-R211 VanDerWaalsContact O-CB 3.29Å; A208-R211 WeakPolarHBondContact O-CB 3.25Å; A208-R211 PolarHBondContact O-N 3.03Å; A208-R211 VanDerWaalsContact O-N 3.13Å; R211-M213 VanDerWaalsContact C-N 3.33Å; R211-M213 PolarHBondContact O-N 3.34Å; R211-Y214 PolarHBondContact O-N 2.94Å; R211-Q215 HydrophobicContact CG-CG 4.2Å; R211-Q215 WeakPolarHBondContact O-CG 3.26Å; R211-Q215 PolarHBondContact O-N 2.97Å
212Q94.4Very high94.8Very high106 Ų10660.4 Ų60.450%0.49531%0.313SS..Hα-helixtrans-63.4-41.6-174.1-167.460.349.600111.1H210 Y214 Q215 D216H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.13Å; Q212-Y214 PolarHBondContact O-N 2.69Å; Q212-Q215 CarbonylContact O-C 3.6Å; Q212-Q215 PolarHBondContact O-N 3.24Å; Q212-Q215 VanDerWaalsContact O-N 3.09Å; Q212-D216 PolarHBondContact NE2-OD1 3.42Å; Q212-D216 WeakPolarHBondContact O-CB 3.39Å; Q212-D216 PolarHBondContact O-N 3.47Å
213M95.8Very high94.6Very high80 Ų8060.7 Ų60.739%0.39432%0.316SS..Hα-helixtrans-59.5-45.5177.5-62.9-59.2-67.800112.4L195 L196 H210 R211 F217L195-M213 WeakPolarHBondContact O-CE 3.47Å; L196-M213 HydrophobicContact CD1-CB 3.92Å; L196-M213 HydrophobicContact CG-CB 4.28Å; H210-M213 PolarHBondContact O-N 3.05Å; R211-M213 VanDerWaalsContact C-N 3.33Å; R211-M213 PolarHBondContact O-N 3.34Å; M213-F217 PolarHBondContact O-N 3.48Å; M213-F217 VanDerWaalsContact O-N 3.16Å
214Y97.5Very high94.4Very high1 Ų158.8 Ų58.80%0.00431%0.311CS..Hα-helixtrans-62.7-43.4173.8-74.7-68.5000111.8L26 L30 I143 L168 V170 L196 P205 H210 R211 Q212 F217 L218L26-Y214 HydrophobicContact CD1-CD2 4.22Å; L26-Y214 HydrophobicContact CD1-CE1 4.45Å; L26-Y214 HydrophobicContact CD1-CE2 3.87Å; L30-Y214 HydrophobicContact CD1-CD1 4.18Å; L30-Y214 HydrophobicContact CD1-CD2 4.36Å; L30-Y214 HydrophobicContact CD1-CG 3.87Å; I143-Y214 HydrophobicContact CG2-CE1 4.25Å; L168-Y214 HydrophobicContact CD2-CD1 3.57Å; L168-Y214 HydrophobicContact CD2-CE1 3.75Å; V170-Y214 HydrophobicContact CG2-CE1 4.29Å; L196-Y214 HydrophobicContact CD1-CD2 3.99Å; L196-Y214 HydrophobicContact CD1-CE1 4.32Å; L196-Y214 HydrophobicContact CD1-CE2 3.58Å; P205-Y214 WeakPolarHBondContact O-CE2 3.48Å; P205-Y214 PolarHBondContact O-OH 3.08Å; H210-Y214 HydrophobicContact CB-CD2 4.44Å; H210-Y214 HydrophobicContact CB-CE2 4.22Å; H210-Y214 VanDerWaalsContact O-CD2 3.31Å; H210-Y214 WeakPolarHBondContact O-CD2 3.4Å; H210-Y214 PolarHBondContact O-N 2.98Å; R211-Y214 PolarHBondContact O-N 2.94Å; Q212-Y214 PolarHBondContact O-N 2.69Å; Y214-F217 PolarHBondContact O-N 2.85Å; Y214-L218 WeakPolarHBondContact O-CB 3.26Å; Y214-L218 WeakPolarHBondContact O-CD1 3.31Å; Y214-L218 WeakPolarHBondContact O-CG 3.22Å; Y214-L218 PolarHBondContact O-N 3.17Å
215Q95.7Very high94.3Very high45 Ų4560.9 Ų60.921%0.2132%0.321CS..Hα-helixtrans-66.2-40.7-178.8-73.6-178.9-23.700112.3L30 Q33 R211 Q212 L218 K219L30-Q215 HydrophobicContact CD2-CG 4.16Å; Q33-Q215 HydrophobicContact CG-CG 4.2Å; R211-Q215 HydrophobicContact CG-CG 4.2Å; R211-Q215 WeakPolarHBondContact O-CG 3.26Å; R211-Q215 PolarHBondContact O-N 2.97Å; Q212-Q215 CarbonylContact O-C 3.6Å; Q212-Q215 PolarHBondContact O-N 3.24Å; Q212-Q215 VanDerWaalsContact O-N 3.09Å; Q215-L218 PolarHBondContact O-N 3.48Å; Q215-K219 VanDerWaalsContact O-CB 3.22Å; Q215-K219 WeakPolarHBondContact O-CB 3.45Å; Q215-K219 PolarHBondContact O-N 2.95Å
216D96.2Very high94.1Very high79 Ų7964.5 Ų64.542%0.42234%0.34SS..Hα-helixtrans-64.4-42.4178.5-69.6-20.5000111.3Q212Q212-D216 PolarHBondContact NE2-OD1 3.42Å; Q212-D216 WeakPolarHBondContact O-CB 3.39Å; Q212-D216 PolarHBondContact O-N 3.47Å
217F97.9Very high94.1Very high0 Ų067.1 Ų67.10%035%0.349CS..Hα-helixtrans-61-52.1172.9179.5-107.2000111.4F141 I143 P166 S167 L168 Q194 M213 Y214 K219 R220 F221F141-F217 HydrophobicContact CB-CE1 4.03Å; F141-F217 HydrophobicContact CB-CZ 3.82Å; F141-F217 AromaticContact CD2-CE1 3.69Å; F141-F217 HydrophobicContact CD2-CE1 3.69Å; F141-F217 HydrophobicContact CD2-CZ 4.31Å; F141-F217 HydrophobicContact CE2-CE1 4.45Å; F141-F217 HydrophobicContact CG-CE1 4.06Å; F141-F217 HydrophobicContact CG-CZ 4.36Å; I143-F217 HydrophobicContact CD1-CE1 4.49Å; I143-F217 HydrophobicContact CG1-CD1 4.35Å; I143-F217 HydrophobicContact CG1-CE1 3.9Å; P166-F217 HydrophobicContact CB-CE2 4.45Å; S167-F217 VanDerWaalsContact C-CE2 3.47Å; S167-F217 WeakPolarHBondContact O-CE2 3.36Å; L168-F217 HydrophobicContact CB-CD1 3.85Å; L168-F217 HydrophobicContact CB-CD2 3.96Å; L168-F217 HydrophobicContact CB-CE1 3.82Å; L168-F217 HydrophobicContact CB-CE2 3.93Å; L168-F217 HydrophobicContact CB-CG 3.9Å; L168-F217 HydrophobicContact CB-CZ 3.85Å; L168-F217 HydrophobicContact CD2-CB 4.25Å; L168-F217 HydrophobicContact CD2-CD1 4.15Å; L168-F217 HydrophobicContact CD2-CG 4.23Å; Q194-F217 HydrophobicContact CB-CD2 4.43Å; Q194-F217 HydrophobicContact CG-CD2 4.35Å; M213-F217 PolarHBondContact O-N 3.48Å; M213-F217 VanDerWaalsContact O-N 3.16Å; Y214-F217 PolarHBondContact O-N 2.85Å; F217-K219 PolarHBondContact O-N 3.12Å; F217-R220 WeakPolarHBondContact O-CB 3.46Å; F217-R220 PolarHBondContact O-N 3.09Å; F217-F221 HydrophobicContact CD1-CE2 4.5Å; F217-F221 HydrophobicContact CE1-CE2 4.21Å; F217-F221 HydrophobicContact CE2-CE2 4.34Å; F217-F221 HydrophobicContact CZ-CE2 4.15Å; F217-F221 VanDerWaalsContact O-CE2 3.29Å; F217-F221 WeakPolarHBondContact O-CE2 3.38Å
218L97.3Very high94.1Very high0 Ų067.9 Ų67.90%034%0.343CS..Hα-helixtrans-69.1-30.7-173.7-69169.6000113.6L4 L30 Q33 L34 F141 I143 Y214 Q215 R220 F221L4-L218 HydrophobicContact CD1-CB 4.23Å; L4-L218 HydrophobicContact CD1-CD2 4Å; L30-L218 HydrophobicContact CD1-CD1 4.28Å; Q33-L218 HydrophobicContact CB-CD1 3.96Å; L34-L218 HydrophobicContact CD1-CD1 3.88Å; L34-L218 HydrophobicContact CD2-CD1 3.69Å; L34-L218 HydrophobicContact CD2-CD2 3.67Å; L34-L218 HydrophobicContact CD2-CG 4.3Å; L34-L218 HydrophobicContact CG-CD1 3.73Å; F141-L218 HydrophobicContact CD2-CD2 4.49Å; F141-L218 HydrophobicContact CE1-CD2 4.39Å; F141-L218 HydrophobicContact CE2-CD2 3.74Å; F141-L218 HydrophobicContact CZ-CD2 3.66Å; I143-L218 HydrophobicContact CD1-CD2 4.28Å; Y214-L218 WeakPolarHBondContact O-CB 3.26Å; Y214-L218 WeakPolarHBondContact O-CD1 3.31Å; Y214-L218 WeakPolarHBondContact O-CG 3.22Å; Y214-L218 PolarHBondContact O-N 3.17Å; Q215-L218 PolarHBondContact O-N 3.48Å; L218-R220 PolarHBondContact O-N 2.68Å; L218-R220 VanDerWaalsContact O-N 3.09Å; L218-F221 PolarHBondContact O-N 2.62Å
219K95.3Very high94.5Very high155 Ų15567.4 Ų67.467%0.67432%0.322SS*.Hα-helixtrans-59.6-22.9-179.2-172.2-180178.8-171.40112.8Q215 F217 F221Q215-K219 VanDerWaalsContact O-CB 3.22Å; Q215-K219 WeakPolarHBondContact O-CB 3.45Å; Q215-K219 PolarHBondContact O-N 2.95Å; F217-K219 PolarHBondContact O-N 3.12Å; K219-F221 PolarHBondContact O-N 3.26Å
220R94.4Very high94.7Very high136 Ų13665.9 Ų65.951%0.51329%0.292SS..THydrogen-bonded Turntrans-65.4-15.6174.9-61.5169.861.6-178.3-1.5113.4F217 L218F217-R220 WeakPolarHBondContact O-CB 3.46Å; F217-R220 PolarHBondContact O-N 3.09Å; L218-R220 PolarHBondContact O-N 2.68Å; L218-R220 VanDerWaalsContact O-N 3.09Å
221F95.9Very high95Very high18 Ų1868.5 Ų68.58%0.07930%0.303CS..THydrogen-bonded Turntrans-117.5-2.9-173.5-49.8-76.9000113.8L4 R140 F141 P166 F217 L218 K219L4-F221 HydrophobicContact CD1-CB 3.99Å; L4-F221 HydrophobicContact CD2-CB 4.09Å; L4-F221 WeakPolarHBondContact CD2-O 3.45Å; R140-F221 HydrophobicContact CB-CD1 4.08Å; R140-F221 HydrophobicContact CB-CE1 4.47Å; R140-F221 VanDerWaalsContact CZ-O 3.27Å; R140-F221 PolarHBondContact NH1-O 2.88Å; R140-F221 VanDerWaalsContact NH2-CA 3.32Å; R140-F221 PolarHBondContact NH2-O 3Å; R140-F221 WeakPolarHBondContact O-CE1 3.24Å; F141-F221 HydrophobicContact CB-CD2 4.3Å; F141-F221 HydrophobicContact CB-CE1 4.02Å; F141-F221 HydrophobicContact CB-CE2 3.76Å; F141-F221 HydrophobicContact CB-CZ 3.64Å; F141-F221 HydrophobicContact CD1-CB 4.13Å; F141-F221 AromaticContact CD1-CD1 3.91Å; F141-F221 HydrophobicContact CD1-CD1 3.91Å; F141-F221 AromaticContact CD1-CD2 3.54Å; F141-F221 HydrophobicContact CD1-CD2 3.54Å; F141-F221 HydrophobicContact CD1-CE1 4.25Å; F141-F221 AromaticContact CD1-CE2 3.91Å; F141-F221 HydrophobicContact CD1-CE2 3.91Å; F141-F221 AromaticContact CD1-CG 3.56Å; F141-F221 HydrophobicContact CD1-CG 3.56Å; F141-F221 HydrophobicContact CD1-CZ 4.27Å; F141-F221 HydrophobicContact CE1-CB 4.16Å; F141-F221 HydrophobicContact CE1-CD2 4.07Å; F141-F221 HydrophobicContact CE1-CG 4.07Å; F141-F221 HydrophobicContact CG-CD2 4.05Å; F141-F221 AromaticContact CG-CE2 3.96Å; F141-F221 HydrophobicContact CG-CE2 3.96Å; F141-F221 HydrophobicContact CG-CG 4.42Å; F141-F221 HydrophobicContact CG-CZ 4.28Å; P166-F221 HydrophobicContact CB-CE1 4.25Å; P166-F221 HydrophobicContact CB-CZ 3.65Å; P166-F221 HydrophobicContact CG-CE1 4.13Å; P166-F221 HydrophobicContact CG-CZ 4.01Å; F217-F221 HydrophobicContact CD1-CE2 4.5Å; F217-F221 HydrophobicContact CE1-CE2 4.21Å; F217-F221 HydrophobicContact CE2-CE2 4.34Å; F217-F221 HydrophobicContact CZ-CE2 4.15Å; F217-F221 VanDerWaalsContact O-CE2 3.29Å; F217-F221 WeakPolarHBondContact O-CE2 3.38Å; L218-F221 PolarHBondContact O-N 2.62Å; K219-F221 PolarHBondContact O-N 3.26Å
222Q85.8Confident95.1Very high94 Ų9464.9 Ų64.944%0.43929%0.294SS..  trans-88.80-178-66.3-168.3-33.700113.8M1 L4M1-Q222 HydrophobicContact SD-CB 4.07Å; L4-Q222 HydrophobicContact CD1-CG 3.84Å; L4-Q222 HydrophobicContact CG-CG 4.12Å

Retrieved 222 of 222 residues in 659.5 ms (Link to these results)

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