A0A060WGB2_ONCMY Loading...

peptidyl-tRNA hydrolase

AlphaFold DB , UniProt , Accession A0A060WGB2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 126 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
1M39.6Very low55.2Low239 Ų239116.1 Ų116.1100%1.17777%0.767SS**  087.30-63.5-64-8800107.6
2A38.3Very low58.7Low107 Ų107108 Ų10888%0.88471%0.711SS**  trans-75.4125.5178.100000108.4S4A2-S4 PolarHBondContact O-N 3.36Å
3A44.3Very low61.7Low100 Ų10099.8 Ų99.883%0.82666%0.657SS**  trans-59.1121.7177.200000109.4G5A3-G5 PolarHBondContact O-N 3.14Å
4S49.7Very low64.3Low112 Ų11292.6 Ų92.678%0.78361%0.61SS**  trans-64.1100.8168.654.90000107.9A2 T6A2-S4 PolarHBondContact O-N 3.36Å; S4-T6 PolarHBondContact O-N 3Å; S4-T6 VanDerWaalsContact O-N 3.14Å
5G45.4Very low66.6Low70 Ų7086.9 Ų86.972%0.72257%0.571SS**  trans-54.9119.1166.700000108.1A3 A7A3-G5 PolarHBondContact O-N 3.14Å; G5-A7 VanDerWaalsContact C-N 3.35Å; G5-A7 PolarHBondContact O-N 2.89Å
6T48.2Very low68.6Low139 Ų13981.8 Ų81.885%0.85354%0.537SS*.  trans-62.599.7172.937.50000107.5S4 A8S4-T6 PolarHBondContact O-N 3Å; S4-T6 VanDerWaalsContact O-N 3.14Å; T6-A8 PolarHBondContact O-N 3.24Å
7A56.5Low70.4Confident74 Ų7476.9 Ų76.961%0.61251%0.505SS*.PPolyproline II helixtrans-55.5133.2168.900000107.6G5G5-A7 VanDerWaalsContact C-N 3.35Å; G5-A7 PolarHBondContact O-N 2.89Å
8A56.3Low72Confident81 Ų8172.8 Ų72.867%0.66948%0.478SS*.PPolyproline II helixtrans-50.9144.2173.300000109.4T6 R10T6-A8 PolarHBondContact O-N 3.24Å; A8-R10 PolarHBondContact O-N 3.01Å
9P60.2Low73.4Confident128 Ų12869.6 Ų69.683%0.83146%0.456SS*.PPolyproline II helixtrans-54.6120-178.520.3-30.8000109.6C11P9-C11 PolarHBondContact O-N 3.05Å
10R77.3Confident74.6Confident154 Ų15466.6 Ų66.658%0.58144%0.436SS*.  trans-70.998.9177.4-80.5-177.1145.896.7-0.6107.8A8 L12A8-R10 PolarHBondContact O-N 3.01Å; R10-L12 PolarHBondContact O-N 2.92Å
11C91.7Very high75.7Confident73 Ų7364.5 Ų64.549%0.49342%0.421SS..  trans-69.296.4174.6-176.70000109.1P9 K112P9-C11 PolarHBondContact O-N 3.05Å; C11-K112 WeakPolarHBondContact O-CB 3.3Å; C11-K112 PolarHBondContact O-N 3.16Å
12L96.8Very high78.5Confident19 Ų1953.1 Ų53.110%0.09937%0.365CS..EExtended strand (participates in β ladder)trans-76.1140.4175.7-65.4177000110.7R10 D53 E56 Y57 Y110 P111R10-L12 PolarHBondContact O-N 2.92Å; L12-D53 WeakPolarHBondContact CD1-O 3.2Å; L12-D53 HydrophobicContact CD2-CB 3.89Å; L12-E56 HydrophobicContact CD1-CB 3.71Å; L12-E56 HydrophobicContact CD1-CG 3.65Å; L12-Y57 HydrophobicContact CB-CD2 3.97Å; L12-Y110 CarbonylContact C-O 3.2Å; L12-Y110 WeakPolarHBondContact CA-O 3.42Å; L12-P111 HydrophobicContact CD2-CG 3.96Å
13V97.8Very high81.3Confident1 Ų149.8 Ų49.81%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-145.6142.1-179.959.10000110.1Y15 V67 Y110 K112V13-Y15 HydrophobicContact CB-CE2 4.41Å; V13-Y15 HydrophobicContact CG1-CD2 3.81Å; V13-Y15 HydrophobicContact CG1-CE2 3.41Å; V13-Y15 VanDerWaalsContact CG1-CE2 3.41Å; V13-Y15 HydrophobicContact CG2-CD2 4.17Å; V13-Y15 HydrophobicContact CG2-CE2 4.08Å; V13-V67 HydrophobicContact CG2-CB 4.3Å; V13-V67 HydrophobicContact CG2-CG2 3.76Å; V13-Y110 PolarHBondContact N-O 2.84Å; V13-Y110 PolarHBondContact O-N 2.74Å; V13-Y110 VanDerWaalsContact O-N 3.08Å; V13-K112 HydrophobicContact CG1-CB 3.79Å; V13-K112 HydrophobicContact CG1-CG 4.15Å
14Q98.6Very high83.7Confident0 Ų051 Ų510%032%0.321CS..EExtended strand (participates in β ladder)trans-100.6118164-168.917835.800109.5A41 H65 K66 V67 L107Q14-A41 PolarHBondContact NE2-O 3.16Å; Q14-A41 VanDerWaalsContact NE2-O 3.1Å; Q14-H65 PolarHBondContact N-O 3.2Å; Q14-K66 HydrophobicContact CB-CG 4.26Å; Q14-K66 VanDerWaalsContact O-CA 3.3Å; Q14-K66 WeakPolarHBondContact O-CA 3.49Å; Q14-V67 PolarHBondContact O-N 2.89Å; Q14-L107 VanDerWaalsContact CG-O 3.31Å; Q14-L107 WeakPolarHBondContact CG-O 3.37Å; Q14-L107 PolarHBondContact NE2-O 2.96Å; Q14-L107 VanDerWaalsContact NE2-O 3.09Å
15Y98.8Very high85.9Confident6 Ų650.6 Ų50.62%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-89.2134.6170.6-77.1-86.9000110.5V13 V67 L69 A106 L107 V115 H116 L119V13-Y15 HydrophobicContact CB-CE2 4.41Å; V13-Y15 HydrophobicContact CG1-CD2 3.81Å; V13-Y15 HydrophobicContact CG1-CE2 3.41Å; V13-Y15 VanDerWaalsContact CG1-CE2 3.41Å; V13-Y15 HydrophobicContact CG2-CD2 4.17Å; V13-Y15 HydrophobicContact CG2-CE2 4.08Å; Y15-V67 WeakPolarHBondContact CA-O 3.46Å; Y15-V67 HydrophobicContact CD1-CB 3.65Å; Y15-V67 HydrophobicContact CD1-CG1 3.81Å; Y15-V67 HydrophobicContact CE1-CB 3.65Å; Y15-V67 HydrophobicContact CE1-CG1 3.6Å; Y15-V67 HydrophobicContact CE1-CG2 4.21Å; Y15-V67 HydrophobicContact CG-CB 4.48Å; Y15-L69 HydrophobicContact CD1-CD1 3.62Å; Y15-L69 HydrophobicContact CD1-CG 4.1Å; Y15-L69 HydrophobicContact CE1-CD1 3.9Å; Y15-L69 HydrophobicContact CE1-CG 4.45Å; Y15-A106 WeakPolarHBondContact O-CA 3.44Å; Y15-L107 PolarHBondContact O-N 2.82Å; Y15-V115 HydrophobicContact CD2-CG2 3.82Å; Y15-V115 HydrophobicContact CE2-CG2 3.78Å; Y15-H116 PolarHBondContact OH-ND1 2.93Å; Y15-H116 VanDerWaalsContact OH-ND1 3.15Å; Y15-L119 VanDerWaalsContact CB-CD1 3.49Å; Y15-L119 HydrophobicContact CD1-CD1 3.66Å; Y15-L119 HydrophobicContact CD2-CD1 3.42Å; Y15-L119 VanDerWaalsContact CD2-CD1 3.42Å; Y15-L119 HydrophobicContact CE1-CD1 4.17Å; Y15-L119 HydrophobicContact CE2-CD1 3.96Å; Y15-L119 HydrophobicContact CG-CD1 3.24Å
16V98.8Very high88.3Confident5 Ų551.5 Ų51.53%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-121.5127170.6-173.10000107.6V18 A37 A41 V67 V68 L69 L105 A106V16-V18 HydrophobicContact CG1-CG2 4.02Å; V16-A37 HydrophobicContact CG1-CB 4Å; V16-A41 HydrophobicContact CG2-CB 4.26Å; V16-V67 PolarHBondContact N-O 3.48Å; V16-V68 CarbonylContact O-C 3.57Å; V16-V68 VanDerWaalsContact O-CA 3.31Å; V16-V68 WeakPolarHBondContact O-CA 3.43Å; V16-L69 PolarHBondContact O-N 3.13Å; V16-L105 CarbonylContact C-O 3.49Å; V16-L105 WeakPolarHBondContact CA-O 3.09Å; V16-A106 HydrophobicContact CG1-CB 4.46Å; V16-A106 HydrophobicContact CG2-CB 4.09Å
17V98.8Very high90.7Very high0 Ų049.5 Ų49.50%029%0.294CS..EExtended strand (participates in β ladder)trans-113.7118.2178.4-170.80000108.6L69 A71 L77 L80 C104 L105 L119 F122V17-L69 CarbonylContact C-O 3.6Å; V17-L69 WeakPolarHBondContact CA-O 3.45Å; V17-L69 HydrophobicContact CG1-CB 4.49Å; V17-L69 HydrophobicContact CG2-CB 4.22Å; V17-A71 HydrophobicContact CG1-CB 3.88Å; V17-L77 HydrophobicContact CB-CD1 4.27Å; V17-L77 HydrophobicContact CG1-CD1 4.12Å; V17-L80 HydrophobicContact CB-CD2 4Å; V17-L80 HydrophobicContact CG1-CD2 4Å; V17-L80 HydrophobicContact CG2-CD2 3.65Å; V17-C104 CarbonylContact O-C 3.58Å; V17-C104 WeakPolarHBondContact O-CA 3.39Å; V17-C104 VanDerWaalsContact O-CB 3.26Å; V17-C104 WeakPolarHBondContact O-CB 3.21Å; V17-L105 HydrophobicContact CB-CD2 3.99Å; V17-L105 HydrophobicContact CG2-CD2 3.91Å; V17-L105 PolarHBondContact N-O 2.87Å; V17-L105 PolarHBondContact O-N 3.18Å; V17-L119 HydrophobicContact CG2-CD2 4.2Å; V17-F122 HydrophobicContact CG1-CD1 4.31Å
18V98.7Very high92.6Very high3 Ų349.3 Ų49.32%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-113.4139.9-173.9-1760000109.3V16 S20 V33 A37 V68 L69 Q70 A71 C104 F125V16-V18 HydrophobicContact CG1-CG2 4.02Å; V18-S20 PolarHBondContact O-N 3.27Å; V18-V33 HydrophobicContact CG1-CG1 3.39Å; V18-A37 HydrophobicContact CG2-CB 4.08Å; V18-V68 HydrophobicContact CG2-CG1 3.9Å; V18-L69 PolarHBondContact N-O 3.42Å; V18-Q70 CarbonylContact O-C 3.53Å; V18-Q70 VanDerWaalsContact O-CA 3.3Å; V18-Q70 WeakPolarHBondContact O-CA 3.33Å; V18-A71 PolarHBondContact O-N 2.92Å; V18-C104 HydrophobicContact CB-CB 4.29Å; V18-C104 HydrophobicContact CG1-CB 4.37Å; V18-C104 HydrophobicContact CG2-CB 4.03Å; V18-F125 HydrophobicContact CB-CD2 3.75Å; V18-F125 HydrophobicContact CB-CE2 3.75Å; V18-F125 HydrophobicContact CG1-CD2 4.16Å; V18-F125 HydrophobicContact CG1-CE2 3.63Å; V18-F125 HydrophobicContact CG1-CZ 4.19Å
19R98.3Very high94.6Very high12 Ų1249.9 Ų49.95%0.04528%0.275CS..EExtended strand (participates in β ladder)trans-68118.7171.1-86.1175.566.4175.83.3111.3D21 L22 Q74 L77 V101 P102 T103R19-D21 VanDerWaalsContact CB-OD1 3.28Å; R19-D21 WeakPolarHBondContact CB-OD1 3.34Å; R19-D21 IonicContact CZ-OD1 3.57Å; R19-D21 IonicContact CZ-OD2 3.6Å; R19-D21 IonicContact NE-OD1 3.55Å; R19-D21 PolarHBondContact NE-OD1 3.43Å; R19-D21 IonicContact NE-OD2 3.72Å; R19-D21 IonicContact NH2-OD1 2.74Å; R19-D21 IonicContact NH2-OD2 2.71Å; R19-D21 PolarHBondContact NH2-OD2 3.17Å; R19-L22 HydrophobicContact CB-CD1 3.76Å; R19-L22 HydrophobicContact CB-CG 3.72Å; R19-Q74 VanDerWaalsContact NH1-OE1 3.07Å; R19-L77 HydrophobicContact CG-CB 4.2Å; R19-L77 HydrophobicContact CG-CD2 4.01Å; R19-V101 VanDerWaalsContact NH1-CG1 3.33Å; R19-P102 WeakPolarHBondContact CD-O 3.34Å; R19-P102 PolarHBondContact NH1-O 2.84Å; R19-T103 WeakPolarHBondContact CB-O 3.26Å; R19-T103 PolarHBondContact N-O 3.15Å; R19-T103 VanDerWaalsContact N-O 3.09Å
20S97.9Very high96.3Very high8 Ų848.6 Ų48.66%0.05626%0.26CS..SBendtrans-77.7-26.7178.454.10000113.2V18 L22 V23 H24 A71V18-S20 PolarHBondContact O-N 3.27Å; S20-L22 PolarHBondContact O-N 3.3Å; S20-V23 PolarHBondContact O-N 2.92Å; S20-H24 PolarHBondContact O-CD2 3.33Å; S20-H24 PolarHBondContact O-N 3Å; S20-A71 PolarHBondContact N-O 3.25Å; S20-A71 PolarHBondContact OG-O 2.86Å
21D98.1Very high97.3Very high23 Ų2343.4 Ų43.412%0.12326%0.255CS..Hα-helixtrans-63.1-24.8174.166.5-38.4000113.1R19 V23 T25 L26 L72R19-D21 VanDerWaalsContact CB-OD1 3.28Å; R19-D21 WeakPolarHBondContact CB-OD1 3.34Å; R19-D21 IonicContact CZ-OD1 3.57Å; R19-D21 IonicContact CZ-OD2 3.6Å; R19-D21 IonicContact NE-OD1 3.55Å; R19-D21 PolarHBondContact NE-OD1 3.43Å; R19-D21 IonicContact NE-OD2 3.72Å; R19-D21 IonicContact NH2-OD1 2.74Å; R19-D21 IonicContact NH2-OD2 2.71Å; R19-D21 PolarHBondContact NH2-OD2 3.17Å; D21-V23 VanDerWaalsContact C-N 3.27Å; D21-V23 PolarHBondContact O-N 3.31Å; D21-T25 CarbonylContact O-C 3.56Å; D21-T25 WeakPolarHBondContact O-CA 3.26Å; D21-T25 WeakPolarHBondContact O-CB 3.44Å; D21-T25 PolarHBondContact O-N 3.03Å; D21-L26 PolarHBondContact O-N 3.2Å; D21-L72 WeakPolarHBondContact CB-O 3.48Å
22L97.7Very high97.6Very high0 Ų041.5 Ų41.50%024%0.244CC..Hα-helixtrans-54.9-45.5173.4-66.7174.3000111.2R19 S20 L26 S27 W28 V33 T103R19-L22 HydrophobicContact CB-CD1 3.76Å; R19-L22 HydrophobicContact CB-CG 3.72Å; S20-L22 PolarHBondContact O-N 3.3Å; L22-L26 HydrophobicContact CD2-CD1 4.06Å; L22-L26 CarbonylContact O-C 3.57Å; L22-S27 PolarHBondContact O-N 3.48Å; L22-S27 VanDerWaalsContact O-N 3.13Å; L22-W28 HydrophobicContact CB-CB 4.32Å; L22-W28 HydrophobicContact CB-CD2 4.48Å; L22-W28 HydrophobicContact CB-CG 4.18Å; L22-W28 HydrophobicContact CD2-CD2 4.02Å; L22-W28 HydrophobicContact CD2-CG 4.36Å; L22-W28 HydrophobicContact CD2-CZ2 4.16Å; L22-W28 VanDerWaalsContact O-CB 3.31Å; L22-W28 WeakPolarHBondContact O-CB 3.34Å; L22-W28 PolarHBondContact O-N 2.96Å; L22-V33 HydrophobicContact CB-CG2 4.1Å; L22-V33 HydrophobicContact CD1-CG2 4.49Å; L22-T103 HydrophobicContact CD1-CG2 4.03Å; L22-T103 HydrophobicContact CD2-CG2 4.49Å
23V96.8Very high97.6Very high38 Ų3840.8 Ų40.823%0.2324%0.241CC..Hα-helixtrans-81.4-53.9179.8-1780000110.6S20 D21 S27 L30 V33 F125S20-V23 PolarHBondContact O-N 2.92Å; D21-V23 VanDerWaalsContact C-N 3.27Å; D21-V23 PolarHBondContact O-N 3.31Å; V23-S27 PolarHBondContact O-N 3.23Å; V23-L30 HydrophobicContact CG2-CD1 4.49Å; V23-V33 HydrophobicContact CG2-CB 4.35Å; V23-V33 HydrophobicContact CG2-CG1 4.36Å; V23-V33 HydrophobicContact CG2-CG2 3.8Å; V23-F125 HydrophobicContact CG2-CZ 4.15Å
24H94.7Very high97.6Very high124 Ų12445.1 Ų45.157%0.57426%0.263SS*.Hα-helixtrans-81-24-166.1-57.2-52.3000114.6S20S20-H24 PolarHBondContact O-CD2 3.33Å; S20-H24 PolarHBondContact O-N 3Å
25T96.6Very high97.6Very high105 Ų10547.9 Ų47.964%0.64428%0.282SS*.THydrogen-bonded Turntrans-115.6-46.3-175-50.80000111.1D21D21-T25 CarbonylContact O-C 3.56Å; D21-T25 WeakPolarHBondContact O-CA 3.26Å; D21-T25 WeakPolarHBondContact O-CB 3.44Å; D21-T25 PolarHBondContact O-N 3.03Å
26L96.3Very high97.6Very high89 Ų8947.9 Ų47.947%0.46628%0.282SS..THydrogen-bonded Turntrans-92.7-1.2-175.2-58.1173000112.9D21 L22 W28D21-L26 PolarHBondContact O-N 3.2Å; L22-L26 HydrophobicContact CD2-CD1 4.06Å; L22-L26 CarbonylContact O-C 3.57Å; L26-W28 PolarHBondContact O-N 2.78Å
27S97.4Very high97.6Very high97 Ų9748.5 Ų48.568%0.67829%0.288SS*.  trans55.233.4173.6-55.40000114.4L22 V23L22-S27 PolarHBondContact O-N 3.48Å; L22-S27 VanDerWaalsContact O-N 3.13Å; V23-S27 PolarHBondContact O-N 3.23Å
28W97.6Very high97.6Very high69 Ų6951.9 Ų51.926%0.26131%0.311SS..  trans-63139.4172.8-77.841.7000109.8L22 L26 L30 A32 V33 Q36 E96 T103L22-W28 HydrophobicContact CB-CB 4.32Å; L22-W28 HydrophobicContact CB-CD2 4.48Å; L22-W28 HydrophobicContact CB-CG 4.18Å; L22-W28 HydrophobicContact CD2-CD2 4.02Å; L22-W28 HydrophobicContact CD2-CG 4.36Å; L22-W28 HydrophobicContact CD2-CZ2 4.16Å; L22-W28 VanDerWaalsContact O-CB 3.31Å; L22-W28 WeakPolarHBondContact O-CB 3.34Å; L22-W28 PolarHBondContact O-N 2.96Å; L26-W28 PolarHBondContact O-N 2.78Å; W28-L30 PolarHBondContact O-N 3.39Å; W28-A32 HydrophobicContact CE3-CB 4.3Å; W28-V33 HydrophobicContact CB-CG2 3.9Å; W28-V33 HydrophobicContact CE3-CG2 4.48Å; W28-Q36 HydrophobicContact CZ3-CG 4.38Å; W28-E96 HydrophobicContact CH2-CB 4.22Å; W28-E96 HydrophobicContact CH2-CG 4.02Å; W28-E96 HydrophobicContact CZ3-CG 4.49Å; W28-T103 HydrophobicContact CH2-CG2 3.84Å; W28-T103 HydrophobicContact CZ3-CG2 3.98Å
29P97.7Very high97.6Very high94 Ų9456 Ų5661%0.6133%0.33SS*.  trans-56.1133.8170.6-23.733.6000110.5G31 A32 V33P29-G31 PolarHBondContact O-N 2.95Å; P29-G31 VanDerWaalsContact O-N 3.16Å; P29-A32 HydrophobicContact CB-CB 4.35Å; P29-A32 WeakPolarHBondContact O-CB 3.47Å; P29-A32 PolarHBondContact O-N 3.07Å; P29-V33 PolarHBondContact O-N 2.94Å
30L96.9Very high97.6Very high100 Ų10055.5 Ų55.552%0.52433%0.328SS..Hα-helixtrans-55-38.8179.9179.861.6000111.9V23 W28 A32 V33 I34V23-L30 HydrophobicContact CG2-CD1 4.49Å; W28-L30 PolarHBondContact O-N 3.39Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.36Å; L30-V33 PolarHBondContact O-N 3.5Å; L30-I34 HydrophobicContact CG-CD1 4.01Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 2.93Å
31G98Very high97.6Very high45 Ų4555.7 Ų55.746%0.46433%0.33SS..Hα-helixtrans-58.9-37.5175.400000113.4P29 I34 S35P29-G31 PolarHBondContact O-N 2.95Å; P29-G31 VanDerWaalsContact O-N 3.16Å; G31-I34 PolarHBondContact O-N 2.89Å; G31-S35 PolarHBondContact O-N 3.41Å; G31-S35 PolarHBondContact O-OG 3.45Å
32A96.8Very high97.7Very high33 Ų3359.2 Ų59.227%0.27335%0.352SS..Hα-helixtrans-64.8-46175.800000110.5W28 P29 L30 I34 S35 Q36W28-A32 HydrophobicContact CE3-CB 4.3Å; P29-A32 HydrophobicContact CB-CB 4.35Å; P29-A32 WeakPolarHBondContact O-CB 3.47Å; P29-A32 PolarHBondContact O-N 3.07Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.36Å; A32-I34 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 3.28Å; A32-S35 WeakPolarHBondContact O-CB 3.48Å; A32-S35 PolarHBondContact O-N 3.28Å; A32-S35 VanDerWaalsContact O-N 3.13Å; A32-Q36 WeakPolarHBondContact O-CG 3.16Å; A32-Q36 PolarHBondContact O-N 3.11Å
33V97.7Very high97.7Very high4 Ų460.1 Ų60.12%0.02436%0.36CS..Hα-helixtrans-61.9-39178.1-179.90000112V18 L22 V23 W28 P29 L30 Q36 A37 F125V18-V33 HydrophobicContact CG1-CG1 3.39Å; L22-V33 HydrophobicContact CB-CG2 4.1Å; L22-V33 HydrophobicContact CD1-CG2 4.49Å; V23-V33 HydrophobicContact CG2-CB 4.35Å; V23-V33 HydrophobicContact CG2-CG1 4.36Å; V23-V33 HydrophobicContact CG2-CG2 3.8Å; W28-V33 HydrophobicContact CB-CG2 3.9Å; W28-V33 HydrophobicContact CE3-CG2 4.48Å; P29-V33 PolarHBondContact O-N 2.94Å; L30-V33 PolarHBondContact O-N 3.5Å; V33-Q36 WeakPolarHBondContact O-CB 3.3Å; V33-Q36 PolarHBondContact O-N 3.06Å; V33-A37 PolarHBondContact O-N 3.45Å; V33-A37 VanDerWaalsContact O-N 3.13Å; V33-F125 HydrophobicContact CG1-CZ 4.47Å
34I98.3Very high97.8Very high93 Ų9358.3 Ų58.348%0.47735%0.349SS..Hα-helixtrans-59.9-47.6173.1-69166.9000110.5L30 G31 A32 Q36 A37 C38L30-I34 HydrophobicContact CG-CD1 4.01Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 2.93Å; G31-I34 PolarHBondContact O-N 2.89Å; A32-I34 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 3.28Å; I34-Q36 VanDerWaalsContact C-N 3.29Å; I34-Q36 PolarHBondContact O-N 3.02Å; I34-A37 WeakPolarHBondContact O-CB 3.33Å; I34-A37 PolarHBondContact O-N 3.08Å; I34-A37 VanDerWaalsContact O-N 3.14Å; I34-C38 PolarHBondContact O-N 2.7Å; I34-C38 PolarHBondContact O-SG 2.9Å; I34-C38 VanDerWaalsContact O-SG 3.4Å
35S98.3Very high98Very high57 Ų5753.7 Ų53.740%0.39933%0.328SS..Hα-helixtrans-57.6-42.6177.8-61.40000112G31 A32 A37 C38 H39G31-S35 PolarHBondContact O-N 3.41Å; G31-S35 PolarHBondContact O-OG 3.45Å; A32-S35 WeakPolarHBondContact O-CB 3.48Å; A32-S35 PolarHBondContact O-N 3.28Å; A32-S35 VanDerWaalsContact O-N 3.13Å; S35-A37 PolarHBondContact O-N 2.95Å; S35-C38 WeakPolarHBondContact O-CB 3.39Å; S35-C38 PolarHBondContact O-N 3.1Å; S35-H39 PolarHBondContact O-CD2 2.97Å; S35-H39 VanDerWaalsContact O-CG 3.31Å; S35-H39 PolarHBondContact O-N 2.93Å
36Q98.3Very high98.1Very high7 Ų755.4 Ų55.43%0.03333%0.329CS..Hα-helixtrans-57-48.7175.6-59.2-60.4-5900111.5W28 A32 V33 I34 C38 H39 A40 E96 T103 C104W28-Q36 HydrophobicContact CZ3-CG 4.38Å; A32-Q36 WeakPolarHBondContact O-CG 3.16Å; A32-Q36 PolarHBondContact O-N 3.11Å; V33-Q36 WeakPolarHBondContact O-CB 3.3Å; V33-Q36 PolarHBondContact O-N 3.06Å; I34-Q36 VanDerWaalsContact C-N 3.29Å; I34-Q36 PolarHBondContact O-N 3.02Å; Q36-C38 VanDerWaalsContact C-N 3.34Å; Q36-C38 PolarHBondContact O-N 3.09Å; Q36-H39 PolarHBondContact O-N 3.33Å; Q36-A40 PolarHBondContact O-N 2.87Å; Q36-E96 VanDerWaalsContact CD-OE2 3.29Å; Q36-E96 PolarHBondContact NE2-OE1 3.03Å; Q36-E96 PolarHBondContact NE2-OE2 3.17Å; Q36-E96 PolarHBondContact OE1-OE2 2.91Å; Q36-E96 VanDerWaalsContact OE1-OE2 3.06Å; Q36-T103 HydrophobicContact CG-CG2 4.19Å; Q36-T103 PolarHBondContact OE1-OG1 2.74Å; Q36-C104 PolarHBondContact O-SG 3.49Å
37A98.4Very high98.2Very high18 Ų1856.7 Ų56.715%0.14934%0.335CS..Hα-helixtrans-61.5-41.5178.700000112.2V16 V18 V33 I34 S35 A40 A41V16-A37 HydrophobicContact CG1-CB 4Å; V18-A37 HydrophobicContact CG2-CB 4.08Å; V33-A37 PolarHBondContact O-N 3.45Å; V33-A37 VanDerWaalsContact O-N 3.13Å; I34-A37 WeakPolarHBondContact O-CB 3.33Å; I34-A37 PolarHBondContact O-N 3.08Å; I34-A37 VanDerWaalsContact O-N 3.14Å; S35-A37 PolarHBondContact O-N 2.95Å; A37-A40 PolarHBondContact O-N 3.04Å; A37-A41 WeakPolarHBondContact O-CB 3.36Å; A37-A41 PolarHBondContact O-N 2.83Å
38C98.6Very high98.3Very high71 Ų7153.8 Ų53.848%0.4831%0.312SS..Hα-helixtrans-61.2-47.8174.2-69.30000111.6I34 S35 Q36 A40 A41 T42I34-C38 PolarHBondContact O-N 2.7Å; I34-C38 PolarHBondContact O-SG 2.9Å; I34-C38 VanDerWaalsContact O-SG 3.4Å; S35-C38 WeakPolarHBondContact O-CB 3.39Å; S35-C38 PolarHBondContact O-N 3.1Å; Q36-C38 VanDerWaalsContact C-N 3.34Å; Q36-C38 PolarHBondContact O-N 3.09Å; C38-A40 PolarHBondContact O-N 2.99Å; C38-A41 PolarHBondContact O-N 3.26Å; C38-T42 WeakPolarHBondContact O-CB 3.45Å; C38-T42 PolarHBondContact O-N 3.09Å; C38-T42 PolarHBondContact O-OG1 2.8Å; C38-T42 VanDerWaalsContact O-OG1 3.13Å
39H98.6Very high98.3Very high90 Ų9056.1 Ų56.142%0.41732%0.322SS..Hα-helixtrans-58.8-47.1177.5-71.4-49.9000112.2S35 Q36 A41 A43 W94S35-H39 PolarHBondContact O-CD2 2.97Å; S35-H39 VanDerWaalsContact O-CG 3.31Å; S35-H39 PolarHBondContact O-N 2.93Å; Q36-H39 PolarHBondContact O-N 3.33Å; H39-A41 PolarHBondContact O-N 3.3Å; H39-A43 WeakPolarHBondContact O-CB 3.31Å; H39-A43 PolarHBondContact O-N 2.77Å; H39-W94 HydrophobicContact CB-CD2 3.65Å; H39-W94 VanDerWaalsContact CB-CE2 3.43Å; H39-W94 HydrophobicContact CB-CE3 3.81Å; H39-W94 HydrophobicContact CB-CG 4.41Å; H39-W94 HydrophobicContact CB-CH2 3.63Å; H39-W94 HydrophobicContact CB-CZ2 3.43Å; H39-W94 VanDerWaalsContact CB-CZ2 3.43Å; H39-W94 HydrophobicContact CB-CZ3 3.8Å; H39-W94 AromaticContact CD2-CZ2 3.88Å; H39-W94 AromaticContact CG-CE2 3.99Å; H39-W94 AromaticContact CG-CH2 3.97Å; H39-W94 AromaticContact CG-CZ2 3.63Å
40A98.8Very high98.4Very high0 Ų058.5 Ų58.50%033%0.329CS..Hα-helixtrans-59.4-48.1177.200000111.7Q36 A37 C38 A43 A44 W94 A106Q36-A40 PolarHBondContact O-N 2.87Å; A37-A40 PolarHBondContact O-N 3.04Å; C38-A40 PolarHBondContact O-N 2.99Å; A40-A43 PolarHBondContact O-N 2.98Å; A40-A44 WeakPolarHBondContact O-CB 3.42Å; A40-A44 PolarHBondContact O-N 3.2Å; A40-W94 HydrophobicContact CB-CB 3.74Å; A40-W94 HydrophobicContact CB-CG 4.39Å; A40-A106 HydrophobicContact CB-CB 3.88Å
41A98.8Very high98.4Very high12 Ų1255.8 Ų55.810%0.09932%0.315CS..Hα-helixtrans-62.5-47.2-178.700000112.2Q14 V16 A37 C38 H39 A44 I45 A106Q14-A41 PolarHBondContact NE2-O 3.16Å; Q14-A41 VanDerWaalsContact NE2-O 3.1Å; V16-A41 HydrophobicContact CG2-CB 4.26Å; A37-A41 WeakPolarHBondContact O-CB 3.36Å; A37-A41 PolarHBondContact O-N 2.83Å; C38-A41 PolarHBondContact O-N 3.26Å; H39-A41 PolarHBondContact O-N 3.3Å; A41-A44 PolarHBondContact O-N 3.26Å; A41-I45 WeakPolarHBondContact O-CG1 3.26Å; A41-I45 PolarHBondContact O-N 2.82Å; A41-I45 VanDerWaalsContact O-N 3.13Å; A41-A106 HydrophobicContact CB-CB 4.38Å
42T98.8Very high98.4Very high97 Ų9758.2 Ų58.260%0.59532%0.323SS*.Hα-helixtrans-62.9-44.5177.1-62.30000111.4C38 I45 H46C38-T42 WeakPolarHBondContact O-CB 3.45Å; C38-T42 PolarHBondContact O-N 3.09Å; C38-T42 PolarHBondContact O-OG1 2.8Å; C38-T42 VanDerWaalsContact O-OG1 3.13Å; T42-I45 PolarHBondContact O-N 2.82Å; T42-H46 WeakPolarHBondContact O-CB 3.36Å; T42-H46 PolarHBondContact O-N 2.86Å
43A98.8Very high98.4Very high20 Ų2058.2 Ų58.217%0.16532%0.319CS..Hα-helixtrans-65.3-41.7179.100000112.2H39 A40 I45 H46 L47 K92 W94H39-A43 WeakPolarHBondContact O-CB 3.31Å; H39-A43 PolarHBondContact O-N 2.77Å; A40-A43 PolarHBondContact O-N 2.98Å; A43-I45 VanDerWaalsContact C-N 3.31Å; A43-I45 PolarHBondContact O-N 3.14Å; A43-H46 PolarHBondContact O-N 3.27Å; A43-L47 WeakPolarHBondContact O-CB 3.48Å; A43-L47 VanDerWaalsContact O-CG 3.25Å; A43-L47 WeakPolarHBondContact O-CG 3.34Å; A43-L47 PolarHBondContact O-N 3.19Å; A43-K92 HydrophobicContact CB-CG 3.86Å; A43-W94 HydrophobicContact CB-CE3 4.46Å; A43-W94 HydrophobicContact CB-CZ3 4.28Å
44A98.8Very high98.4Very high0 Ų058 Ų580%032%0.318CS..Hα-helixtrans-60.8-40.5176.600000112.2A40 A41 N48 K92 A106 L107A40-A44 WeakPolarHBondContact O-CB 3.42Å; A40-A44 PolarHBondContact O-N 3.2Å; A41-A44 PolarHBondContact O-N 3.26Å; A44-N48 PolarHBondContact O-N 3.06Å; A44-N48 PolarHBondContact O-ND2 2.71Å; A44-K92 HydrophobicContact CB-CB 3.98Å; A44-A106 HydrophobicContact CB-CB 4.03Å; A44-L107 WeakPolarHBondContact CB-O 3.47Å
45I98.7Very high98.4Very high26 Ų2657.3 Ų57.313%0.13331%0.312CS..Hα-helixtrans-65-51.5174.1-70.3171.4000110.5A41 T42 A43 L47 N48 Y49 T54 L58 P109A41-I45 WeakPolarHBondContact O-CG1 3.26Å; A41-I45 PolarHBondContact O-N 2.82Å; A41-I45 VanDerWaalsContact O-N 3.13Å; T42-I45 PolarHBondContact O-N 2.82Å; A43-I45 VanDerWaalsContact C-N 3.31Å; A43-I45 PolarHBondContact O-N 3.14Å; I45-L47 PolarHBondContact O-N 3.16Å; I45-N48 CarbonylContact O-C 3.56Å; I45-N48 PolarHBondContact O-N 3.13Å; I45-Y49 WeakPolarHBondContact O-CA 3.35Å; I45-Y49 PolarHBondContact O-N 3.35Å; I45-T54 HydrophobicContact CG2-CG2 4.02Å; I45-L58 HydrophobicContact CD1-CD2 4.47Å; I45-L58 HydrophobicContact CG2-CD1 3.81Å; I45-L58 HydrophobicContact CG2-CD2 4.26Å; I45-L58 HydrophobicContact CG2-CG 4.46Å; I45-P109 HydrophobicContact CG1-CG 4.45Å
46H98.8Very high98.3Very high141 Ų14159.6 Ų59.665%0.65332%0.317SS*.Hα-helixtrans-60.2-45-175.817964.2000112.5T42 A43 N48 Y49T42-H46 WeakPolarHBondContact O-CB 3.36Å; T42-H46 PolarHBondContact O-N 2.86Å; A43-H46 PolarHBondContact O-N 3.27Å; H46-N48 PolarHBondContact O-N 3.43Å; H46-Y49 WeakPolarHBondContact O-CB 3.31Å; H46-Y49 PolarHBondContact O-N 2.91Å
47L98.8Very high98.2Very high116 Ų11659.8 Ų59.861%0.60732%0.317SS*.Hα-helixtrans-62.8-24.7178.1-70.6170.6000113A43 I45 K92A43-L47 WeakPolarHBondContact O-CB 3.48Å; A43-L47 VanDerWaalsContact O-CG 3.25Å; A43-L47 WeakPolarHBondContact O-CG 3.34Å; A43-L47 PolarHBondContact O-N 3.19Å; I45-L47 PolarHBondContact O-N 3.16Å; L47-K92 HydrophobicContact CD1-CD 4.12Å
48N98.7Very high98.2Very high37 Ų3760.9 Ų60.920%0.19832%0.32CS..THydrogen-bonded Turntrans-118.628.7-178.3-60.7-86000111.4A44 I45 H46 N50 D51 T54 A90 K108A44-N48 PolarHBondContact O-N 3.06Å; A44-N48 PolarHBondContact O-ND2 2.71Å; I45-N48 CarbonylContact O-C 3.56Å; I45-N48 PolarHBondContact O-N 3.13Å; H46-N48 PolarHBondContact O-N 3.43Å; N48-N50 VanDerWaalsContact C-N 3.28Å; N48-N50 PolarHBondContact O-N 2.94Å; N48-D51 HydrophobicContact CB-CB 4.29Å; N48-D51 VanDerWaalsContact O-CB 3.25Å; N48-D51 WeakPolarHBondContact O-CB 3.33Å; N48-D51 PolarHBondContact O-N 3.4Å; N48-T54 WeakPolarHBondContact O-CB 3.44Å; N48-T54 WeakPolarHBondContact O-CG2 3.3Å; N48-T54 PolarHBondContact O-OG1 3.44Å; N48-A90 WeakPolarHBondContact OD1-CB 3.36Å; N48-K108 HydrophobicContact CB-CB 3.77Å; N48-K108 HydrophobicContact CB-CD 3.66Å; N48-K108 HydrophobicContact CB-CG 4.3Å
49Y98.6Very high98Very high118 Ų11860.9 Ų60.946%0.46333%0.325SS..THydrogen-bonded Turntrans-57.3-44-170.9-178.2-99.4000111.3I45 H46 D51 Q55 L58I45-Y49 WeakPolarHBondContact O-CA 3.35Å; I45-Y49 PolarHBondContact O-N 3.35Å; H46-Y49 WeakPolarHBondContact O-CB 3.31Å; H46-Y49 PolarHBondContact O-N 2.91Å; Y49-D51 VanDerWaalsContact C-N 3.26Å; Y49-D51 PolarHBondContact O-N 3.13Å; Y49-Q55 WeakPolarHBondContact O-CG 3.35Å; Y49-Q55 PolarHBondContact O-NE2 3.02Å; Y49-L58 HydrophobicContact CD2-CD1 4.12Å; Y49-L58 HydrophobicContact CE2-CD1 4.02Å
50N98.2Very high97.6Very high143 Ų14362.9 Ų62.977%0.76534%0.335SS*.THydrogen-bonded Turntrans-80.31.4-178.1-63.6-36.6000114.6N48N48-N50 VanDerWaalsContact C-N 3.28Å; N48-N50 PolarHBondContact O-N 2.94Å
51D98.4Very high97.3Very high43 Ų4367.5 Ų67.523%0.2336%0.359CS..SBendtrans-69.3136.3175.8177.8-87000110.5N48 Y49 D53 T54 Q55 K108N48-D51 HydrophobicContact CB-CB 4.29Å; N48-D51 VanDerWaalsContact O-CB 3.25Å; N48-D51 WeakPolarHBondContact O-CB 3.33Å; N48-D51 PolarHBondContact O-N 3.4Å; Y49-D51 VanDerWaalsContact C-N 3.26Å; Y49-D51 PolarHBondContact O-N 3.13Å; D51-D53 VanDerWaalsContact C-N 3.34Å; D51-D53 PolarHBondContact O-N 3.32Å; D51-D53 WeakPolarHBondContact OD1-CB 3.43Å; D51-D53 PolarHBondContact OD1-N 3.36Å; D51-T54 WeakPolarHBondContact O-CB 3.44Å; D51-T54 PolarHBondContact O-N 3.25Å; D51-T54 VanDerWaalsContact O-N 3.09Å; D51-T54 PolarHBondContact OD1-N 2.96Å; D51-Q55 PolarHBondContact O-N 3.34Å; D51-K108 HydrophobicContact CB-CD 4.12Å; D51-K108 WeakPolarHBondContact OD1-CE 3.41Å; D51-K108 IonicContact OD1-NZ 3.26Å; D51-K108 PolarHBondContact OD1-NZ 2.82Å; D51-K108 WeakPolarHBondContact OD2-CE 3.04Å; D51-K108 IonicContact OD2-NZ 3.28Å; D51-K108 PolarHBondContact OD2-NZ 2.95Å
52P97.4Very high97Very high97 Ų9775.5 Ų75.563%0.6340%0.4SS*.Hα-helixtrans-57.4-41-177.1-27.335.3000114.4T54 Q55 E56P52-T54 VanDerWaalsContact C-N 3.33Å; P52-Q55 PolarHBondContact O-N 3.18Å; P52-E56 WeakPolarHBondContact O-CB 3.45Å; P52-E56 PolarHBondContact O-N 3.44Å
53D97.3Very high96.6Very high33 Ų3375 Ų7518%0.17640%0.401CS..Hα-helixtrans-68.4-37.2178.2-60.4-38.1000110.2L12 D51 Y57 K108 P111L12-D53 WeakPolarHBondContact CD1-O 3.2Å; L12-D53 HydrophobicContact CD2-CB 3.89Å; D51-D53 VanDerWaalsContact C-N 3.34Å; D51-D53 PolarHBondContact O-N 3.32Å; D51-D53 WeakPolarHBondContact OD1-CB 3.43Å; D51-D53 PolarHBondContact OD1-N 3.36Å; D53-Y57 VanDerWaalsContact O-CB 3.23Å; D53-Y57 WeakPolarHBondContact O-CB 3.4Å; D53-Y57 PolarHBondContact O-N 2.89Å; D53-K108 IonicContact OD2-NZ 2.95Å; D53-K108 PolarHBondContact OD2-NZ 3.4Å; D53-P111 WeakPolarHBondContact OD2-CD 3.35Å
54T98.1Very high96.4Very high0 Ų077.2 Ų77.20%041%0.408CS..Hα-helixtrans-64.4-44175-55.80000111.2I45 N48 D51 P52 Y57 L58 P109I45-T54 HydrophobicContact CG2-CG2 4.02Å; N48-T54 WeakPolarHBondContact O-CB 3.44Å; N48-T54 WeakPolarHBondContact O-CG2 3.3Å; N48-T54 PolarHBondContact O-OG1 3.44Å; D51-T54 WeakPolarHBondContact O-CB 3.44Å; D51-T54 PolarHBondContact O-N 3.25Å; D51-T54 VanDerWaalsContact O-N 3.09Å; D51-T54 PolarHBondContact OD1-N 2.96Å; P52-T54 VanDerWaalsContact C-N 3.33Å; T54-Y57 PolarHBondContact O-N 3.14Å; T54-L58 HydrophobicContact CG2-CD1 3.98Å; T54-L58 HydrophobicContact CG2-CG 4.45Å; T54-L58 WeakPolarHBondContact O-CB 3.41Å; T54-L58 VanDerWaalsContact O-CG 3.26Å; T54-L58 WeakPolarHBondContact O-CG 3.13Å; T54-L58 PolarHBondContact O-N 3.13Å; T54-P109 HydrophobicContact CG2-CG 4.31Å
55Q98.2Very high96.2Very high77 Ų7781.1 Ų81.136%0.3643%0.427SS..Hα-helixtrans-63.4-45.2177.8-73.5-66.1-63.700111.8Y49 D51 P52 Y57 L58 A59Y49-Q55 WeakPolarHBondContact O-CG 3.35Å; Y49-Q55 PolarHBondContact O-NE2 3.02Å; D51-Q55 PolarHBondContact O-N 3.34Å; P52-Q55 PolarHBondContact O-N 3.18Å; Q55-Y57 VanDerWaalsContact C-N 3.35Å; Q55-Y57 PolarHBondContact O-N 3.05Å; Q55-L58 PolarHBondContact O-N 3.25Å; Q55-A59 PolarHBondContact O-N 3.45Å
56E96Very high96.2Very high106 Ų10684.1 Ų84.150%0.49544%0.439SS..Hα-helixtrans-61.5-43.3176.1-176.5179.8165.300111.4L12 P52 L58 A59L12-E56 HydrophobicContact CD1-CB 3.71Å; L12-E56 HydrophobicContact CD1-CG 3.65Å; P52-E56 WeakPolarHBondContact O-CB 3.45Å; P52-E56 PolarHBondContact O-N 3.44Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.31Å; E56-A59 WeakPolarHBondContact O-CB 3.17Å; E56-A59 PolarHBondContact O-N 2.94Å
57Y96.4Very high96.1Very high10 Ų1078.5 Ų78.54%0.03941%0.414CS..Hα-helixtrans-61.1-34.1175.9-176.2-97.3000113.4L12 D53 T54 Q55 M64 H65 K66 P109L12-Y57 HydrophobicContact CB-CD2 3.97Å; D53-Y57 VanDerWaalsContact O-CB 3.23Å; D53-Y57 WeakPolarHBondContact O-CB 3.4Å; D53-Y57 PolarHBondContact O-N 2.89Å; T54-Y57 PolarHBondContact O-N 3.14Å; Q55-Y57 VanDerWaalsContact C-N 3.35Å; Q55-Y57 PolarHBondContact O-N 3.05Å; Y57-M64 HydrophobicContact CD1-CG 3.98Å; Y57-M64 HydrophobicContact CD1-SD 3.97Å; Y57-M64 HydrophobicContact CE1-CB 4.07Å; Y57-M64 HydrophobicContact CE1-CG 3.49Å; Y57-M64 VanDerWaalsContact CE1-CG 3.49Å; Y57-M64 HydrophobicContact CE1-SD 3.34Å; Y57-M64 WeakPolarHBondContact CE1-SD 3.45Å; Y57-M64 HydrophobicContact CE2-CB 4.2Å; Y57-M64 HydrophobicContact CE2-CG 4.19Å; Y57-H65 WeakPolarHBondContact CE2-O 3.33Å; Y57-H65 PolarHBondContact OH-O 3.26Å; Y57-K66 WeakPolarHBondContact OH-CG 3.48Å; Y57-K66 PolarHBondContact OH-NZ 2.94Å; Y57-P109 HydrophobicContact CD1-CB 3.97Å; Y57-P109 HydrophobicContact CD1-CG 3.39Å; Y57-P109 HydrophobicContact CD2-CB 3.9Å; Y57-P109 HydrophobicContact CD2-CG 4.24Å; Y57-P109 HydrophobicContact CE1-CG 3.98Å; Y57-P109 HydrophobicContact CG-CB 3.53Å; Y57-P109 HydrophobicContact CG-CG 3.52Å
58L97.1Very high96.1Very high42 Ų4276 Ų7622%0.2240%0.403CS..Hα-helixtrans-85.7-13.5179.6-68.7175.6000113.8I45 Y49 T54 Q55 E56 E60 L61 M64I45-L58 HydrophobicContact CD1-CD2 4.47Å; I45-L58 HydrophobicContact CG2-CD1 3.81Å; I45-L58 HydrophobicContact CG2-CD2 4.26Å; I45-L58 HydrophobicContact CG2-CG 4.46Å; Y49-L58 HydrophobicContact CD2-CD1 4.12Å; Y49-L58 HydrophobicContact CE2-CD1 4.02Å; T54-L58 HydrophobicContact CG2-CD1 3.98Å; T54-L58 HydrophobicContact CG2-CG 4.45Å; T54-L58 WeakPolarHBondContact O-CB 3.41Å; T54-L58 VanDerWaalsContact O-CG 3.26Å; T54-L58 WeakPolarHBondContact O-CG 3.13Å; T54-L58 PolarHBondContact O-N 3.13Å; Q55-L58 PolarHBondContact O-N 3.25Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.31Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-L61 HydrophobicContact CB-CD2 4.46Å; L58-L61 HydrophobicContact CD2-CD2 4.02Å; L58-L61 VanDerWaalsContact O-CD2 3.26Å; L58-L61 WeakPolarHBondContact O-CD2 3.37Å; L58-L61 WeakPolarHBondContact O-CG 3.38Å; L58-M64 HydrophobicContact CD2-SD 4.49Å
59A96.1Very high96.1Very high71 Ų7174.8 Ų74.859%0.58740%0.397SS*.Hα-helixtrans-68.5-32.4179.200000112.3Q55 E56Q55-A59 PolarHBondContact O-N 3.45Å; E56-A59 WeakPolarHBondContact O-CB 3.17Å; E56-A59 PolarHBondContact O-N 2.94Å
60E88.7Confident96.1Very high131 Ų13170.8 Ų70.861%0.61238%0.383SS*.SBendtrans-121.368.8-176.9-64.9-61.7149.200111.1L58 D62 S63L58-E60 VanDerWaalsContact C-N 3.32Å; E60-D62 VanDerWaalsContact C-N 3.25Å; E60-D62 PolarHBondContact O-N 3.36Å; E60-D62 VanDerWaalsContact O-N 3.16Å; E60-S63 VanDerWaalsContact CB-OG 3.3Å; E60-S63 WeakPolarHBondContact CB-OG 3.38Å; E60-S63 PolarHBondContact O-N 2.91Å; E60-S63 PolarHBondContact O-OG 3.35Å
61L92.4Very high96.1Very high98 Ų9864 Ų6451%0.51335%0.346SS..G310 helixtrans-55.2-35.4-171.3-65.1178.8000114.3L58 S63 M64L58-L61 HydrophobicContact CB-CD2 4.46Å; L58-L61 HydrophobicContact CD2-CD2 4.02Å; L58-L61 VanDerWaalsContact O-CD2 3.26Å; L58-L61 WeakPolarHBondContact O-CD2 3.37Å; L58-L61 WeakPolarHBondContact O-CG 3.38Å; L61-S63 PolarHBondContact O-N 2.93Å; L61-M64 HydrophobicContact CB-CE 4.18Å; L61-M64 HydrophobicContact CD2-CE 3.87Å; L61-M64 HydrophobicContact CD2-SD 4.07Å; L61-M64 VanDerWaalsContact O-CE 3.26Å; L61-M64 WeakPolarHBondContact O-CE 3.13Å; L61-M64 WeakPolarHBondContact O-CG 3.37Å; L61-M64 PolarHBondContact O-N 3.4Å
62D93.4Very high96.1Very high179 Ų17967.6 Ų67.696%0.95737%0.365SS*.G310 helixtrans-73.3-11.6-179.2-66.6-37.3000113.4E60E60-D62 VanDerWaalsContact C-N 3.25Å; E60-D62 PolarHBondContact O-N 3.36Å; E60-D62 VanDerWaalsContact O-N 3.16Å
63S89.8Confident96.1Very high88 Ų8866.2 Ų66.262%0.61535%0.352SS*.G310 helixtrans-111.46.4-179.976.10000113.8E60 L61 H65E60-S63 VanDerWaalsContact CB-OG 3.3Å; E60-S63 WeakPolarHBondContact CB-OG 3.38Å; E60-S63 PolarHBondContact O-N 2.91Å; E60-S63 PolarHBondContact O-OG 3.35Å; L61-S63 PolarHBondContact O-N 2.93Å; S63-H65 PolarHBondContact O-N 3.47Å; S63-H65 VanDerWaalsContact O-N 3.16Å
64M94.1Very high96.2Very high65 Ų6568.6 Ų68.632%0.3236%0.362SS..  trans-56118.5-179.6-83.7-167.3-69.500112.5Y57 L58 L61 K66Y57-M64 HydrophobicContact CD1-CG 3.98Å; Y57-M64 HydrophobicContact CD1-SD 3.97Å; Y57-M64 HydrophobicContact CE1-CB 4.07Å; Y57-M64 HydrophobicContact CE1-CG 3.49Å; Y57-M64 VanDerWaalsContact CE1-CG 3.49Å; Y57-M64 HydrophobicContact CE1-SD 3.34Å; Y57-M64 WeakPolarHBondContact CE1-SD 3.45Å; Y57-M64 HydrophobicContact CE2-CB 4.2Å; Y57-M64 HydrophobicContact CE2-CG 4.19Å; L58-M64 HydrophobicContact CD2-SD 4.49Å; L61-M64 HydrophobicContact CB-CE 4.18Å; L61-M64 HydrophobicContact CD2-CE 3.87Å; L61-M64 HydrophobicContact CD2-SD 4.07Å; L61-M64 VanDerWaalsContact O-CE 3.26Å; L61-M64 WeakPolarHBondContact O-CE 3.13Å; L61-M64 WeakPolarHBondContact O-CG 3.37Å; L61-M64 PolarHBondContact O-N 3.4Å; M64-K66 PolarHBondContact SD-NZ 2.98Å
65H96.3Very high96.2Very high83 Ų8371.9 Ų71.938%0.38439%0.389SS..  trans-92.8129.2174.7-169.553.1000111.9Q14 Y57 S63 V67Q14-H65 PolarHBondContact N-O 3.2Å; Y57-H65 WeakPolarHBondContact CE2-O 3.33Å; Y57-H65 PolarHBondContact OH-O 3.26Å; S63-H65 PolarHBondContact O-N 3.47Å; S63-H65 VanDerWaalsContact O-N 3.16Å; H65-V67 WeakPolarHBondContact NE2-CG2 3.44Å
66K96.9Very high96.2Very high89 Ų8969.6 Ų69.639%0.38738%0.381SS..EExtended strand (participates in β ladder)trans-128.7139175.2-61.5-175.1175.254.60110Q14 Y57 M64Q14-K66 HydrophobicContact CB-CG 4.26Å; Q14-K66 VanDerWaalsContact O-CA 3.3Å; Q14-K66 WeakPolarHBondContact O-CA 3.49Å; Y57-K66 WeakPolarHBondContact OH-CG 3.48Å; Y57-K66 PolarHBondContact OH-NZ 2.94Å; M64-K66 PolarHBondContact SD-NZ 2.98Å
67V98.3Very high96.3Very high23 Ų2364.5 Ų64.514%0.13936%0.358CS..EExtended strand (participates in β ladder)trans-123.3120.9175.6178.60000109V13 Q14 Y15 V16 H65 L69 L124V13-V67 HydrophobicContact CG2-CB 4.3Å; V13-V67 HydrophobicContact CG2-CG2 3.76Å; Q14-V67 PolarHBondContact O-N 2.89Å; Y15-V67 WeakPolarHBondContact CA-O 3.46Å; Y15-V67 HydrophobicContact CD1-CB 3.65Å; Y15-V67 HydrophobicContact CD1-CG1 3.81Å; Y15-V67 HydrophobicContact CE1-CB 3.65Å; Y15-V67 HydrophobicContact CE1-CG1 3.6Å; Y15-V67 HydrophobicContact CE1-CG2 4.21Å; Y15-V67 HydrophobicContact CG-CB 4.48Å; V16-V67 PolarHBondContact N-O 3.48Å; H65-V67 WeakPolarHBondContact NE2-CG2 3.44Å; V67-L69 HydrophobicContact CG1-CD2 3.78Å; V67-L69 HydrophobicContact CG1-CG 4.12Å; V67-L124 HydrophobicContact CG1-CD2 3.86Å
68V98.6Very high96.4Very high62 Ų6265.6 Ų65.638%0.37637%0.367SS..EExtended strand (participates in β ladder)trans-99.1119.7177.7-168.40000109.3V16 V18 F125V16-V68 CarbonylContact O-C 3.57Å; V16-V68 VanDerWaalsContact O-CA 3.31Å; V16-V68 WeakPolarHBondContact O-CA 3.43Å; V18-V68 HydrophobicContact CG2-CG1 3.9Å; V68-F125 HydrophobicContact CB-CB 4.39Å; V68-F125 HydrophobicContact CG1-CB 3.77Å; V68-F125 HydrophobicContact CG1-CG 4.32Å; V68-F125 PolarHBondContact O-N 3.19Å
69L98.8Very high96.4Very high12 Ų1266 Ų666%0.06337%0.373CS..EExtended strand (participates in β ladder)trans-112.5159178.7-55.8176.2000110.3Y15 V16 V17 V18 V67 L119 F122 K123 L124Y15-L69 HydrophobicContact CD1-CD1 3.62Å; Y15-L69 HydrophobicContact CD1-CG 4.1Å; Y15-L69 HydrophobicContact CE1-CD1 3.9Å; Y15-L69 HydrophobicContact CE1-CG 4.45Å; V16-L69 PolarHBondContact O-N 3.13Å; V17-L69 CarbonylContact C-O 3.6Å; V17-L69 WeakPolarHBondContact CA-O 3.45Å; V17-L69 HydrophobicContact CG1-CB 4.49Å; V17-L69 HydrophobicContact CG2-CB 4.22Å; V18-L69 PolarHBondContact N-O 3.42Å; V67-L69 HydrophobicContact CG1-CD2 3.78Å; V67-L69 HydrophobicContact CG1-CG 4.12Å; L69-L119 HydrophobicContact CD1-CB 3.91Å; L69-F122 HydrophobicContact CB-CB 3.98Å; L69-F122 HydrophobicContact CD1-CB 4.07Å; L69-K123 CarbonylContact C-O 3.5Å; L69-K123 WeakPolarHBondContact CA-O 3.41Å; L69-K123 WeakPolarHBondContact CB-O 3.34Å; L69-L124 HydrophobicContact CD2-CD2 4.1Å
70Q98.3Very high96.5Very high35 Ų3562.7 Ų62.716%0.16435%0.345CS..EExtended strand (participates in β ladder)trans-105.8127.1175.561.2-178.649.600112.5V18 F122 K123 L124 F125V18-Q70 CarbonylContact O-C 3.53Å; V18-Q70 VanDerWaalsContact O-CA 3.3Å; V18-Q70 WeakPolarHBondContact O-CA 3.33Å; Q70-F122 WeakPolarHBondContact O-CD1 3.3Å; Q70-K123 HydrophobicContact CG-CB 4.22Å; Q70-K123 PolarHBondContact N-O 3.45Å; Q70-L124 PolarHBondContact OE1-O 3.48Å; Q70-F125 HydrophobicContact CB-CB 4.3Å; Q70-F125 HydrophobicContact CB-CD2 3.69Å; Q70-F125 HydrophobicContact CB-CE2 4.48Å; Q70-F125 HydrophobicContact CB-CG 4.36Å
71A98.4Very high97Very high0 Ų057.2 Ų57.20%032%0.322CS..EExtended strand (participates in β ladder)trans-84.4145.9154.400000108.5V17 V18 S20 D73 L77 F122V17-A71 HydrophobicContact CG1-CB 3.88Å; V18-A71 PolarHBondContact O-N 2.92Å; S20-A71 PolarHBondContact N-O 3.25Å; S20-A71 PolarHBondContact OG-O 2.86Å; A71-D73 VanDerWaalsContact C-N 3.34Å; A71-L77 HydrophobicContact CB-CB 4.08Å; A71-L77 HydrophobicContact CB-CD1 4.12Å; A71-F122 HydrophobicContact CB-CE1 4.27Å
72L97.9Very high97.3Very high119 Ų11958.1 Ų58.162%0.62332%0.323SS*.SBendtrans-72.8-33.1-178.3-66.7179.8000111.6D21 S76D21-L72 WeakPolarHBondContact CB-O 3.48Å; L72-S76 PolarHBondContact N-OG 2.87Å; L72-S76 VanDerWaalsContact N-OG 3.09Å
73D98.2Very high97.6Very high67 Ų6751.4 Ų51.436%0.35829%0.289SS..SBendtrans-162.6-177.7-17057.120.2000111.4A71 A75 S76 L77A71-D73 VanDerWaalsContact C-N 3.34Å; D73-A75 VanDerWaalsContact C-N 3.34Å; D73-A75 PolarHBondContact O-N 3.07Å; D73-A75 PolarHBondContact OD1-N 3.43Å; D73-S76 PolarHBondContact N-OG 3.21Å; D73-S76 PolarHBondContact O-OG 3.26Å; D73-S76 VanDerWaalsContact OD1-CB 3.27Å; D73-S76 WeakPolarHBondContact OD1-CB 3.25Å; D73-S76 PolarHBondContact OD1-N 3.26Å; D73-S76 PolarHBondContact OD1-OG 2.93Å; D73-L77 PolarHBondContact O-N 3.07Å
74Q97.8Very high98Very high84 Ų8447.2 Ų47.239%0.39326%0.26SS..Hα-helixtrans-60.7-41.1176.2-167.9169.5-55.900112.8R19 L77 S78 P102R19-Q74 VanDerWaalsContact NH1-OE1 3.07Å; Q74-L77 PolarHBondContact O-N 3.27Å; Q74-S78 PolarHBondContact O-N 3.3Å; Q74-S78 PolarHBondContact O-OG 3.4Å; Q74-P102 HydrophobicContact CG-CB 4.43Å; Q74-P102 HydrophobicContact CG-CG 4.22Å
75A98Very high98.2Very high68 Ų6848.6 Ų48.656%0.56227%0.272SS*.Hα-helixtrans-64.3-44.4-17600000111.4D73 L77 S78 S79D73-A75 VanDerWaalsContact C-N 3.34Å; D73-A75 PolarHBondContact O-N 3.07Å; D73-A75 PolarHBondContact OD1-N 3.43Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S79 WeakPolarHBondContact O-CB 3.32Å; A75-S79 PolarHBondContact O-N 2.92Å
76S98.2Very high98.3Very high29 Ų2952 Ų5220%0.20329%0.288CS..Hα-helixtrans-66.1-34.1175.954.70000112.8L72 D73 L80L72-S76 PolarHBondContact N-OG 2.87Å; L72-S76 VanDerWaalsContact N-OG 3.09Å; D73-S76 PolarHBondContact N-OG 3.21Å; D73-S76 PolarHBondContact O-OG 3.26Å; D73-S76 VanDerWaalsContact OD1-CB 3.27Å; D73-S76 WeakPolarHBondContact OD1-CB 3.25Å; D73-S76 PolarHBondContact OD1-N 3.26Å; D73-S76 PolarHBondContact OD1-OG 2.93Å; S76-L80 PolarHBondContact O-N 2.97Å
77L98.6Very high98.3Very high0 Ų054.3 Ų54.30%030%0.298CS..Hα-helixtrans-68.9-46.7173.5-169.772.1000112V17 R19 A71 D73 Q74 A75 L80 S81 L93 P102 L105V17-L77 HydrophobicContact CB-CD1 4.27Å; V17-L77 HydrophobicContact CG1-CD1 4.12Å; R19-L77 HydrophobicContact CG-CB 4.2Å; R19-L77 HydrophobicContact CG-CD2 4.01Å; A71-L77 HydrophobicContact CB-CB 4.08Å; A71-L77 HydrophobicContact CB-CD1 4.12Å; D73-L77 PolarHBondContact O-N 3.07Å; Q74-L77 PolarHBondContact O-N 3.27Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 2.87Å; L77-L80 WeakPolarHBondContact O-CB 3.28Å; L77-L80 PolarHBondContact O-N 3.32Å; L77-S81 PolarHBondContact O-N 3.09Å; L77-L93 HydrophobicContact CD2-CD1 3.77Å; L77-L93 HydrophobicContact CG-CD1 4.01Å; L77-P102 HydrophobicContact CD2-CB 4.15Å; L77-L105 HydrophobicContact CD1-CB 4.02Å
78S98.1Very high98.3Very high32 Ų3256.3 Ų56.322%0.22432%0.324CS..Hα-helixtrans-63.4-45.5178.9-65.10000111.8Q74 A75 L80 S81 E82Q74-S78 PolarHBondContact O-N 3.3Å; Q74-S78 PolarHBondContact O-OG 3.4Å; A75-S78 PolarHBondContact O-N 2.87Å; S78-L80 PolarHBondContact O-N 3.34Å; S78-S81 WeakPolarHBondContact O-CB 3.26Å; S78-S81 PolarHBondContact O-N 3.27Å; S78-E82 WeakPolarHBondContact O-CG 3.32Å; S78-E82 PolarHBondContact O-N 2.85Å
79S98.4Very high98.3Very high51 Ų5154 Ų5436%0.35731%0.309SS..Hα-helixtrans-59.1-34.9175.8176.10000112.4A75 T83A75-S79 WeakPolarHBondContact O-CB 3.32Å; A75-S79 PolarHBondContact O-N 2.92Å; S79-T83 WeakPolarHBondContact O-CB 3.45Å; S79-T83 PolarHBondContact O-N 3.49Å; S79-T83 PolarHBondContact O-OG1 2.77Å
80L98.7Very high98.3Very high1 Ų154.9 Ų54.91%0.00532%0.318CS..Hα-helixtrans-65.9-46.4172.6179.660.9000111.8V17 S76 L77 S78 E82 T83 L84 L105 L119 F122V17-L80 HydrophobicContact CB-CD2 4Å; V17-L80 HydrophobicContact CG1-CD2 4Å; V17-L80 HydrophobicContact CG2-CD2 3.65Å; S76-L80 PolarHBondContact O-N 2.97Å; L77-L80 WeakPolarHBondContact O-CB 3.28Å; L77-L80 PolarHBondContact O-N 3.32Å; S78-L80 PolarHBondContact O-N 3.34Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3.06Å; L80-T83 PolarHBondContact O-N 3.09Å; L80-L84 HydrophobicContact CD1-CD1 4.05Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CD2-CD1 4.46Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.31Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 VanDerWaalsContact O-CG 3.23Å; L80-L84 WeakPolarHBondContact O-CG 3.23Å; L80-L84 PolarHBondContact O-N 2.98Å; L80-L105 HydrophobicContact CD2-CD2 3.86Å; L80-L119 HydrophobicContact CD1-CD2 3.88Å; L80-L119 HydrophobicContact CD2-CD2 3.97Å; L80-F122 HydrophobicContact CB-CE2 4.32Å; L80-F122 HydrophobicContact CB-CZ 3.87Å; L80-F122 HydrophobicContact CD1-CE2 3.62Å; L80-F122 HydrophobicContact CD1-CZ 4.05Å; L80-F122 HydrophobicContact CD2-CD2 4.44Å; L80-F122 HydrophobicContact CD2-CE1 4.49Å; L80-F122 HydrophobicContact CD2-CE2 3.81Å; L80-F122 HydrophobicContact CD2-CZ 3.85Å; L80-F122 HydrophobicContact CG-CE2 4.11Å; L80-F122 HydrophobicContact CG-CZ 4.12Å
81S98.7Very high98.4Very high16 Ų1655 Ų5511%0.11232%0.319CS..Hα-helixtrans-60-41.9178.5-174.60000111.8L77 S78 L84 T85 H91L77-S81 PolarHBondContact O-N 3.09Å; S78-S81 WeakPolarHBondContact O-CB 3.26Å; S78-S81 PolarHBondContact O-N 3.27Å; S81-L84 PolarHBondContact O-N 2.68Å; S81-T85 WeakPolarHBondContact O-CB 3.21Å; S81-T85 PolarHBondContact O-N 3.35Å; S81-T85 PolarHBondContact O-OG1 3.19Å; S81-H91 PolarHBondContact O-CE1 3.02Å; S81-H91 VanDerWaalsContact O-CE1 3.23Å; S81-H91 PolarHBondContact O-NE2 2.82Å; S81-H91 PolarHBondContact OG-NE2 3.25Å
82E98.5Very high98.4Very high117 Ų11758.1 Ų58.155%0.54733%0.332SS..Hα-helixtrans-60.5-51.9173.4-70.7166.2-171.500111.2S78 L80 L84 T85 E86S78-E82 WeakPolarHBondContact O-CG 3.32Å; S78-E82 PolarHBondContact O-N 2.85Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3.06Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.24Å; E82-T85 WeakPolarHBondContact O-CA 3.44Å; E82-T85 WeakPolarHBondContact O-CB 3.27Å; E82-T85 PolarHBondContact O-N 3.23Å; E82-E86 WeakPolarHBondContact O-CG 3.2Å; E82-E86 PolarHBondContact O-N 2.78Å
83T98.5Very high98.4Very high39 Ų3954.2 Ų54.224%0.23931%0.312CS..Hα-helixtrans-56.6-43.2178.2-58.60000111.7S79 L80 T85 E86 K87 L118S79-T83 WeakPolarHBondContact O-CB 3.45Å; S79-T83 PolarHBondContact O-N 3.49Å; S79-T83 PolarHBondContact O-OG1 2.77Å; L80-T83 PolarHBondContact O-N 3.09Å; T83-T85 VanDerWaalsContact C-N 3.34Å; T83-E86 PolarHBondContact O-N 3.26Å; T83-K87 WeakPolarHBondContact O-CB 3.49Å; T83-K87 VanDerWaalsContact O-CG 3.22Å; T83-K87 WeakPolarHBondContact O-CG 3.39Å; T83-K87 PolarHBondContact O-N 3.23Å; T83-K87 VanDerWaalsContact O-N 3.1Å; T83-L118 HydrophobicContact CG2-CD2 4.35Å
84L98.6Very high98.4Very high0 Ų053.8 Ų53.80%031%0.305CS..Hα-helixtrans-66.5-38.6178.7-68.8168.3000111.3L80 S81 E82 K87 G88 V89 H91 L105 L107 L118L80-L84 HydrophobicContact CD1-CD1 4.05Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CD2-CD1 4.46Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.31Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 VanDerWaalsContact O-CG 3.23Å; L80-L84 WeakPolarHBondContact O-CG 3.23Å; L80-L84 PolarHBondContact O-N 2.98Å; S81-L84 PolarHBondContact O-N 2.68Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.24Å; L84-K87 CarbonylContact O-C 3.46Å; L84-K87 PolarHBondContact O-N 3.25Å; L84-G88 PolarHBondContact O-N 3.04Å; L84-G88 VanDerWaalsContact O-N 3.12Å; L84-V89 HydrophobicContact CB-CB 4.19Å; L84-V89 HydrophobicContact CD2-CB 3.76Å; L84-V89 HydrophobicContact CD2-CG1 3.72Å; L84-V89 HydrophobicContact CD2-CG2 4.25Å; L84-V89 PolarHBondContact O-N 3.02Å; L84-H91 VanDerWaalsContact CB-CE1 3.49Å; L84-H91 WeakPolarHBondContact CB-CE1 3.48Å; L84-H91 VanDerWaalsContact CB-ND1 3.33Å; L84-H91 WeakPolarHBondContact CB-ND1 3.33Å; L84-H91 HydrophobicContact CD1-CB 4.24Å; L84-L105 HydrophobicContact CD1-CD1 3.8Å; L84-L105 HydrophobicContact CD1-CD2 4.05Å; L84-L107 HydrophobicContact CD1-CD1 3.83Å; L84-L107 HydrophobicContact CD1-CG 4.48Å; L84-L107 HydrophobicContact CD2-CD2 4.34Å; L84-L118 HydrophobicContact CD2-CD1 3.99Å
85T98.6Very high98.4Very high93 Ų9351.7 Ų51.757%0.57130%0.298SS*.Hα-helixtrans-61.9-49.4175.5-58.10000110.9S81 E82 T83 K87 G88 H91S81-T85 WeakPolarHBondContact O-CB 3.21Å; S81-T85 PolarHBondContact O-N 3.35Å; S81-T85 PolarHBondContact O-OG1 3.19Å; E82-T85 WeakPolarHBondContact O-CA 3.44Å; E82-T85 WeakPolarHBondContact O-CB 3.27Å; E82-T85 PolarHBondContact O-N 3.23Å; T83-T85 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 2.89Å; T85-G88 PolarHBondContact O-N 2.81Å; T85-H91 PolarHBondContact OG1-CE1 3.44Å
86E98.4Very high98.2Very high155 Ų15551.1 Ų51.172%0.72428%0.284SS*.Hα-helixtrans-59.3-33177.5-70.6175.117800112.9E82 T83 G88E82-E86 WeakPolarHBondContact O-CG 3.2Å; E82-E86 PolarHBondContact O-N 2.78Å; T83-E86 PolarHBondContact O-N 3.26Å; E86-G88 VanDerWaalsContact C-N 3.34Å
87K98.1Very high98.1Very high137 Ų13755.2 Ų55.260%0.59630%0.3SS*.THydrogen-bonded Turntrans-88.51.5178.8-63.2-65.5177.6-170.30113.7T83 L84 T85 V89 L118T83-K87 WeakPolarHBondContact O-CB 3.49Å; T83-K87 VanDerWaalsContact O-CG 3.22Å; T83-K87 WeakPolarHBondContact O-CG 3.39Å; T83-K87 PolarHBondContact O-N 3.23Å; T83-K87 VanDerWaalsContact O-N 3.1Å; L84-K87 CarbonylContact O-C 3.46Å; L84-K87 PolarHBondContact O-N 3.25Å; T85-K87 PolarHBondContact O-N 2.89Å; K87-V89 HydrophobicContact CB-CG2 4.07Å; K87-V89 PolarHBondContact O-N 3.28Å; K87-L118 HydrophobicContact CB-CD1 4.28Å; K87-L118 HydrophobicContact CG-CD1 4.38Å; K87-L118 HydrophobicContact CG-CD2 4.18Å
88G98Very high97.8Very high66 Ų6660.2 Ų60.268%0.6833%0.332SS*.THydrogen-bonded Turntrans65.526.4-178.300000113.7L84 T85 E86L84-G88 PolarHBondContact O-N 3.04Å; L84-G88 VanDerWaalsContact O-N 3.12Å; T85-G88 PolarHBondContact O-N 2.81Å; E86-G88 VanDerWaalsContact C-N 3.34Å
89V98.6Very high97.4Very high13 Ų1365 Ų658%0.07935%0.351CS..  trans-90.1109.6177.5-177.80000108.8L84 K87 H91 L107 Y110 V115 L118L84-V89 HydrophobicContact CB-CB 4.19Å; L84-V89 HydrophobicContact CD2-CB 3.76Å; L84-V89 HydrophobicContact CD2-CG1 3.72Å; L84-V89 HydrophobicContact CD2-CG2 4.25Å; L84-V89 PolarHBondContact O-N 3.02Å; K87-V89 HydrophobicContact CB-CG2 4.07Å; K87-V89 PolarHBondContact O-N 3.28Å; V89-H91 PolarHBondContact O-N 3.41Å; V89-H91 PolarHBondContact O-ND1 3.27Å; V89-L107 HydrophobicContact CG1-CD2 3.63Å; V89-L107 HydrophobicContact CG1-CG 4.1Å; V89-Y110 HydrophobicContact CG1-CD2 4.3Å; V89-Y110 HydrophobicContact CG1-CE2 3.61Å; V89-V115 HydrophobicContact CG1-CG1 3.97Å; V89-L118 HydrophobicContact CG2-CD1 3.79Å
90A98.8Very high97.2Very high30 Ų3067.6 Ų67.625%0.24836%0.361CS..  trans-63.4123.7-18000000111.1N48 K108 Y110N48-A90 WeakPolarHBondContact OD1-CB 3.36Å; A90-K108 HydrophobicContact CB-CD 4.19Å; A90-K108 HydrophobicContact CB-CG 4.18Å; A90-K108 PolarHBondContact O-N 2.95Å; A90-Y110 WeakPolarHBondContact CB-OH 3.48Å; A90-Y110 PolarHBondContact N-OH 3.25Å
91H98.9Very high96.9Very high37 Ų3769.3 Ų69.317%0.17137%0.371CS..EExtended strand (participates in β ladder)trans-151.4163.1-178.465.3-84.5000110.1S81 L84 T85 V89 L105 A106 L107S81-H91 PolarHBondContact O-CE1 3.02Å; S81-H91 VanDerWaalsContact O-CE1 3.23Å; S81-H91 PolarHBondContact O-NE2 2.82Å; S81-H91 PolarHBondContact OG-NE2 3.25Å; L84-H91 VanDerWaalsContact CB-CE1 3.49Å; L84-H91 WeakPolarHBondContact CB-CE1 3.48Å; L84-H91 VanDerWaalsContact CB-ND1 3.33Å; L84-H91 WeakPolarHBondContact CB-ND1 3.33Å; L84-H91 HydrophobicContact CD1-CB 4.24Å; T85-H91 PolarHBondContact OG1-CE1 3.44Å; V89-H91 PolarHBondContact O-N 3.41Å; V89-H91 PolarHBondContact O-ND1 3.27Å; H91-L105 HydrophobicContact CB-CD1 4.16Å; H91-L105 HydrophobicContact CB-CG 4.39Å; H91-L105 WeakPolarHBondContact CD2-CD1 3.25Å; H91-A106 CarbonylContact C-O 3.59Å; H91-A106 VanDerWaalsContact CA-O 3.27Å; H91-A106 WeakPolarHBondContact CA-O 3.4Å; H91-A106 WeakPolarHBondContact CB-O 3.32Å; H91-L107 HydrophobicContact CB-CD1 4.25Å; H91-L107 HydrophobicContact CB-CG 4.16Å
92K98.8Very high96.9Very high66 Ų6669.2 Ų69.229%0.28737%0.371SS..EExtended strand (participates in β ladder)trans-117115.9172177.755.8178.1146.50109.2A43 A44 L47 L105 A106A43-K92 HydrophobicContact CB-CG 3.86Å; A44-K92 HydrophobicContact CB-CB 3.98Å; L47-K92 HydrophobicContact CD1-CD 4.12Å; K92-L105 CarbonylContact O-C 3.39Å; K92-L105 WeakPolarHBondContact O-CA 3.31Å; K92-A106 PolarHBondContact N-O 3.13Å; K92-A106 PolarHBondContact O-N 2.82Å
93L98.7Very high96.9Very high37 Ų3763.7 Ų63.719%0.19435%0.345CS..EExtended strand (participates in β ladder)trans-77.5121.2160.8-174.365.7000108.6L77 V95 P102 L105L77-L93 HydrophobicContact CD2-CD1 3.77Å; L77-L93 HydrophobicContact CG-CD1 4.01Å; L93-V95 HydrophobicContact CD2-CG2 4.43Å; L93-V95 HydrophobicContact CG-CG2 4.26Å; L93-P102 HydrophobicContact CD1-CB 4.16Å; L93-P102 HydrophobicContact CD2-CB 4.36Å; L93-P102 HydrophobicContact CG-CB 4.4Å; L93-L105 HydrophobicContact CD1-CB 4.04Å
94W98.5Very high96.9Very high59 Ų5961.8 Ų61.822%0.22333%0.333CS..EExtended strand (participates in β ladder)trans-95129.5176.4-170.7-92000109.9H39 A40 A43 P102 T103 C104H39-W94 HydrophobicContact CB-CD2 3.65Å; H39-W94 VanDerWaalsContact CB-CE2 3.43Å; H39-W94 HydrophobicContact CB-CE3 3.81Å; H39-W94 HydrophobicContact CB-CG 4.41Å; H39-W94 HydrophobicContact CB-CH2 3.63Å; H39-W94 HydrophobicContact CB-CZ2 3.43Å; H39-W94 VanDerWaalsContact CB-CZ2 3.43Å; H39-W94 HydrophobicContact CB-CZ3 3.8Å; H39-W94 AromaticContact CD2-CZ2 3.88Å; H39-W94 AromaticContact CG-CE2 3.99Å; H39-W94 AromaticContact CG-CH2 3.97Å; H39-W94 AromaticContact CG-CZ2 3.63Å; A40-W94 HydrophobicContact CB-CB 3.74Å; A40-W94 HydrophobicContact CB-CG 4.39Å; A43-W94 HydrophobicContact CB-CE3 4.46Å; A43-W94 HydrophobicContact CB-CZ3 4.28Å; W94-P102 WeakPolarHBondContact O-CA 3.27Å; W94-T103 PolarHBondContact O-N 3.12Å; W94-C104 PolarHBondContact N-O 3.28Å
95V97.8Very high96.9Very high40 Ų4061.8 Ų61.824%0.24233%0.333CS..EExtended strand (participates in β ladder)trans-126.6116-173.6-178.50000107L93 N100 V101 P102L93-V95 HydrophobicContact CD2-CG2 4.43Å; L93-V95 HydrophobicContact CG-CG2 4.26Å; V95-N100 VanDerWaalsContact CG1-C 3.41Å; V95-N100 HydrophobicContact CG1-CB 4.47Å; V95-N100 VanDerWaalsContact CG1-OD1 3.3Å; V95-N100 WeakPolarHBondContact CG1-OD1 3.33Å; V95-V101 CarbonylContact C-O 3.58Å; V95-V101 WeakPolarHBondContact CA-O 3.22Å; V95-P102 HydrophobicContact CG2-CB 4.46Å; V95-P102 HydrophobicContact CG2-CG 4.36Å
96E94.1Very high96.9Very high56 Ų5657.4 Ų57.426%0.26231%0.306SS..EExtended strand (participates in β ladder)trans-72.3139.8179.1-173.169.2163.200110.4W28 Q36 N100 V101 T103W28-E96 HydrophobicContact CH2-CB 4.22Å; W28-E96 HydrophobicContact CH2-CG 4.02Å; W28-E96 HydrophobicContact CZ3-CG 4.49Å; Q36-E96 VanDerWaalsContact CD-OE2 3.29Å; Q36-E96 PolarHBondContact NE2-OE1 3.03Å; Q36-E96 PolarHBondContact NE2-OE2 3.17Å; Q36-E96 PolarHBondContact OE1-OE2 2.91Å; Q36-E96 VanDerWaalsContact OE1-OE2 3.06Å; E96-N100 CarbonylContact O-C 3.53Å; E96-N100 WeakPolarHBondContact O-CA 3.44Å; E96-N100 PolarHBondContact O-N 3.1Å; E96-V101 PolarHBondContact N-O 3.32Å; E96-V101 PolarHBondContact O-N 3.49Å; E96-V101 VanDerWaalsContact O-N 3.08Å; E96-T103 HydrophobicContact CB-CG2 3.86Å
97Q94.4Very high96.9Very high114 Ų11450 Ų5053%0.53327%0.272SS..THydrogen-bonded Turntrans-112.7152.6177.2-64.7-62-3100109.9N100Q97-N100 PolarHBondContact NE2-OD1 3.03Å; Q97-N100 VanDerWaalsContact NE2-OD1 3.14Å
98P92.6Very high96.9Very high106 Ų10643.7 Ų43.769%0.68824%0.244SC*.THydrogen-bonded Turncis-84.7-6.64.334.2-37.9000115.6N100P98-N100 PolarHBondContact O-N 3.05Å
99E90.6Very high97Very high132 Ų13240.6 Ų40.662%0.61721%0.212SC*.THydrogen-bonded Turntrans-72.9-9.1-173.1-62.775.3-164.200113.6V101E99-V101 HydrophobicContact CB-CG2 3.84Å; E99-V101 PolarHBondContact O-N 2.95Å
100N93.5Very high96.9Very high106 Ų10641.1 Ų41.157%0.56721%0.213SC*.THydrogen-bonded Turntrans57.845.1178.8-163.152.2000113.1V95 E96 Q97 P98V95-N100 VanDerWaalsContact CG1-C 3.41Å; V95-N100 HydrophobicContact CG1-CB 4.47Å; V95-N100 VanDerWaalsContact CG1-OD1 3.3Å; V95-N100 WeakPolarHBondContact CG1-OD1 3.33Å; E96-N100 CarbonylContact O-C 3.53Å; E96-N100 WeakPolarHBondContact O-CA 3.44Å; E96-N100 PolarHBondContact O-N 3.1Å; Q97-N100 PolarHBondContact NE2-OD1 3.03Å; Q97-N100 VanDerWaalsContact NE2-OD1 3.14Å; P98-N100 PolarHBondContact O-N 3.05Å
101V93.6Very high96.9Very high36 Ų3640.4 Ų40.422%0.21821%0.206CC..EExtended strand (participates in β ladder)trans-101.5120-175.2177.90000110.8R19 V95 E96 E99 T103R19-V101 VanDerWaalsContact NH1-CG1 3.33Å; V95-V101 CarbonylContact C-O 3.58Å; V95-V101 WeakPolarHBondContact CA-O 3.22Å; E96-V101 PolarHBondContact N-O 3.32Å; E96-V101 PolarHBondContact O-N 3.49Å; E96-V101 VanDerWaalsContact O-N 3.08Å; E99-V101 HydrophobicContact CB-CG2 3.84Å; E99-V101 PolarHBondContact O-N 2.95Å; V101-T103 PolarHBondContact O-N 3.37Å
102P97.6Very high96.7Very high15 Ų1542.4 Ų42.410%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-63.8119.2170.4-20.432000110.8R19 Q74 L77 L93 W94 V95R19-P102 WeakPolarHBondContact CD-O 3.34Å; R19-P102 PolarHBondContact NH1-O 2.84Å; Q74-P102 HydrophobicContact CG-CB 4.43Å; Q74-P102 HydrophobicContact CG-CG 4.22Å; L77-P102 HydrophobicContact CD2-CB 4.15Å; L93-P102 HydrophobicContact CD1-CB 4.16Å; L93-P102 HydrophobicContact CD2-CB 4.36Å; L93-P102 HydrophobicContact CG-CB 4.4Å; W94-P102 WeakPolarHBondContact O-CA 3.27Å; V95-P102 HydrophobicContact CG2-CB 4.46Å; V95-P102 HydrophobicContact CG2-CG 4.36Å
103T98.3Very high96.6Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-106.6-40-174.953.50000112.6R19 L22 W28 Q36 W94 E96 V101R19-T103 WeakPolarHBondContact CB-O 3.26Å; R19-T103 PolarHBondContact N-O 3.15Å; R19-T103 VanDerWaalsContact N-O 3.09Å; L22-T103 HydrophobicContact CD1-CG2 4.03Å; L22-T103 HydrophobicContact CD2-CG2 4.49Å; W28-T103 HydrophobicContact CH2-CG2 3.84Å; W28-T103 HydrophobicContact CZ3-CG2 3.98Å; Q36-T103 HydrophobicContact CG-CG2 4.19Å; Q36-T103 PolarHBondContact OE1-OG1 2.74Å; W94-T103 PolarHBondContact O-N 3.12Å; E96-T103 HydrophobicContact CB-CG2 3.86Å; V101-T103 PolarHBondContact O-N 3.37Å
104C98.5Very high96.4Very high0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-158.6172.7179.562.20000110.9V17 V18 Q36 W94V17-C104 CarbonylContact O-C 3.58Å; V17-C104 WeakPolarHBondContact O-CA 3.39Å; V17-C104 VanDerWaalsContact O-CB 3.26Å; V17-C104 WeakPolarHBondContact O-CB 3.21Å; V18-C104 HydrophobicContact CB-CB 4.29Å; V18-C104 HydrophobicContact CG1-CB 4.37Å; V18-C104 HydrophobicContact CG2-CB 4.03Å; Q36-C104 PolarHBondContact O-SG 3.49Å; W94-C104 PolarHBondContact N-O 3.28Å
105L98.6Very high96.4Very high0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-138.7145.8175.6147.7153.7000109.5V16 V17 L77 L80 L84 H91 K92 L93 L107V16-L105 CarbonylContact C-O 3.49Å; V16-L105 WeakPolarHBondContact CA-O 3.09Å; V17-L105 HydrophobicContact CB-CD2 3.99Å; V17-L105 HydrophobicContact CG2-CD2 3.91Å; V17-L105 PolarHBondContact N-O 2.87Å; V17-L105 PolarHBondContact O-N 3.18Å; L77-L105 HydrophobicContact CD1-CB 4.02Å; L80-L105 HydrophobicContact CD2-CD2 3.86Å; L84-L105 HydrophobicContact CD1-CD1 3.8Å; L84-L105 HydrophobicContact CD1-CD2 4.05Å; H91-L105 HydrophobicContact CB-CD1 4.16Å; H91-L105 HydrophobicContact CB-CG 4.39Å; H91-L105 WeakPolarHBondContact CD2-CD1 3.25Å; K92-L105 CarbonylContact O-C 3.39Å; K92-L105 WeakPolarHBondContact O-CA 3.31Å; L93-L105 HydrophobicContact CD1-CB 4.04Å; L105-L107 HydrophobicContact CD2-CD1 3.8Å
106A98.9Very high96.3Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-128.7139.417100000110.5Y15 V16 A40 A41 A44 H91 K92Y15-A106 WeakPolarHBondContact O-CA 3.44Å; V16-A106 HydrophobicContact CG1-CB 4.46Å; V16-A106 HydrophobicContact CG2-CB 4.09Å; A40-A106 HydrophobicContact CB-CB 3.88Å; A41-A106 HydrophobicContact CB-CB 4.38Å; A44-A106 HydrophobicContact CB-CB 4.03Å; H91-A106 CarbonylContact C-O 3.59Å; H91-A106 VanDerWaalsContact CA-O 3.27Å; H91-A106 WeakPolarHBondContact CA-O 3.4Å; H91-A106 WeakPolarHBondContact CB-O 3.32Å; K92-A106 PolarHBondContact N-O 3.13Å; K92-A106 PolarHBondContact O-N 2.82Å
107L98.9Very high96.5Very high1 Ų148.2 Ų48.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-79.1160.6168.7-78.565.9000109.2Q14 Y15 A44 L84 V89 H91 L105 Y110 V115 L119Q14-L107 VanDerWaalsContact CG-O 3.31Å; Q14-L107 WeakPolarHBondContact CG-O 3.37Å; Q14-L107 PolarHBondContact NE2-O 2.96Å; Q14-L107 VanDerWaalsContact NE2-O 3.09Å; Y15-L107 PolarHBondContact O-N 2.82Å; A44-L107 WeakPolarHBondContact CB-O 3.47Å; L84-L107 HydrophobicContact CD1-CD1 3.83Å; L84-L107 HydrophobicContact CD1-CG 4.48Å; L84-L107 HydrophobicContact CD2-CD2 4.34Å; V89-L107 HydrophobicContact CG1-CD2 3.63Å; V89-L107 HydrophobicContact CG1-CG 4.1Å; H91-L107 HydrophobicContact CB-CD1 4.25Å; H91-L107 HydrophobicContact CB-CG 4.16Å; L105-L107 HydrophobicContact CD2-CD1 3.8Å; L107-Y110 HydrophobicContact CB-CD2 4.15Å; L107-Y110 HydrophobicContact CB-CE2 4.33Å; L107-Y110 HydrophobicContact CD2-CD2 4.12Å; L107-Y110 HydrophobicContact CD2-CE2 4.39Å; L107-V115 HydrophobicContact CD2-CB 3.94Å; L107-V115 HydrophobicContact CD2-CG1 3.9Å; L107-V115 HydrophobicContact CD2-CG2 4.31Å; L107-L119 HydrophobicContact CD2-CD1 4.12Å
108K98.6Very high96.7Very high4 Ų444.9 Ų44.92%0.01724%0.243CC..PPolyproline II helixtrans-63.5165.3156.473.1163.5-167.979.60109.5N48 D51 D53 A90 Y110N48-K108 HydrophobicContact CB-CB 3.77Å; N48-K108 HydrophobicContact CB-CD 3.66Å; N48-K108 HydrophobicContact CB-CG 4.3Å; D51-K108 HydrophobicContact CB-CD 4.12Å; D51-K108 WeakPolarHBondContact OD1-CE 3.41Å; D51-K108 IonicContact OD1-NZ 3.26Å; D51-K108 PolarHBondContact OD1-NZ 2.82Å; D51-K108 WeakPolarHBondContact OD2-CE 3.04Å; D51-K108 IonicContact OD2-NZ 3.28Å; D51-K108 PolarHBondContact OD2-NZ 2.95Å; D53-K108 IonicContact OD2-NZ 2.95Å; D53-K108 PolarHBondContact OD2-NZ 3.4Å; A90-K108 HydrophobicContact CB-CD 4.19Å; A90-K108 HydrophobicContact CB-CG 4.18Å; A90-K108 PolarHBondContact O-N 2.95Å; K108-Y110 HydrophobicContact CB-CE2 4.45Å; K108-Y110 HydrophobicContact CD-CE1 4.49Å; K108-Y110 HydrophobicContact CD-CE2 4.18Å; K108-Y110 VanDerWaalsContact CE-CE1 3.41Å; K108-Y110 WeakPolarHBondContact CE-OH 3.44Å; K108-Y110 HydrophobicContact CG-CD2 3.8Å; K108-Y110 HydrophobicContact CG-CE1 4.37Å; K108-Y110 HydrophobicContact CG-CE2 3.28Å; K108-Y110 WeakPolarHBondContact O-CD2 3.43Å; K108-Y110 PolarHBondContact O-N 2.78Å
109P98.3Very high96.9Very high0 Ų039.9 Ų39.90%021%0.211CC..PPolyproline II helixtrans-55.4135.8167.9-26.236.9000111.9I45 T54 Y57I45-P109 HydrophobicContact CG1-CG 4.45Å; T54-P109 HydrophobicContact CG2-CG 4.31Å; Y57-P109 HydrophobicContact CD1-CB 3.97Å; Y57-P109 HydrophobicContact CD1-CG 3.39Å; Y57-P109 HydrophobicContact CD2-CB 3.9Å; Y57-P109 HydrophobicContact CD2-CG 4.24Å; Y57-P109 HydrophobicContact CE1-CG 3.98Å; Y57-P109 HydrophobicContact CG-CB 3.53Å; Y57-P109 HydrophobicContact CG-CG 3.52Å
110Y98.1Very high97.2Very high25 Ų2542.8 Ų42.810%0.09822%0.216CC..EExtended strand (participates in β ladder)trans-141.8154.8178.8-83.2-74.2000111.1L12 V13 V89 A90 L107 K108 K112 V115L12-Y110 CarbonylContact C-O 3.2Å; L12-Y110 WeakPolarHBondContact CA-O 3.42Å; V13-Y110 PolarHBondContact N-O 2.84Å; V13-Y110 PolarHBondContact O-N 2.74Å; V13-Y110 VanDerWaalsContact O-N 3.08Å; V89-Y110 HydrophobicContact CG1-CD2 4.3Å; V89-Y110 HydrophobicContact CG1-CE2 3.61Å; A90-Y110 WeakPolarHBondContact CB-OH 3.48Å; A90-Y110 PolarHBondContact N-OH 3.25Å; L107-Y110 HydrophobicContact CB-CD2 4.15Å; L107-Y110 HydrophobicContact CB-CE2 4.33Å; L107-Y110 HydrophobicContact CD2-CD2 4.12Å; L107-Y110 HydrophobicContact CD2-CE2 4.39Å; K108-Y110 HydrophobicContact CB-CE2 4.45Å; K108-Y110 HydrophobicContact CD-CE1 4.49Å; K108-Y110 HydrophobicContact CD-CE2 4.18Å; K108-Y110 VanDerWaalsContact CE-CE1 3.41Å; K108-Y110 WeakPolarHBondContact CE-OH 3.44Å; K108-Y110 HydrophobicContact CG-CD2 3.8Å; K108-Y110 HydrophobicContact CG-CE1 4.37Å; K108-Y110 HydrophobicContact CG-CE2 3.28Å; K108-Y110 WeakPolarHBondContact O-CD2 3.43Å; K108-Y110 PolarHBondContact O-N 2.78Å; Y110-K112 PolarHBondContact O-N 3.03Å; Y110-V115 HydrophobicContact CD1-CG1 4.1Å; Y110-V115 HydrophobicContact CD2-CG1 3.73Å; Y110-V115 HydrophobicContact CE2-CG1 4.34Å; Y110-V115 HydrophobicContact CG-CG1 3.58Å
111P97.3Very high97.3Very high15 Ų1544.2 Ų44.210%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-56.4127.3162-22.533.2000109.5L12 D53 D113 T114L12-P111 HydrophobicContact CD2-CG 3.96Å; D53-P111 WeakPolarHBondContact OD2-CD 3.35Å; P111-D113 PolarHBondContact O-N 3.43Å; P111-T114 WeakPolarHBondContact O-CB 3.42Å; P111-T114 PolarHBondContact O-N 2.83Å
112K96.1Very high97.5Very high78 Ų7843.8 Ų43.834%0.33921%0.213SC..Hα-helixtrans-51.5-45.3-173.9-178178.3179.5179.20112.4C11 V13 Y110 T114 V115 H116C11-K112 WeakPolarHBondContact O-CB 3.3Å; C11-K112 PolarHBondContact O-N 3.16Å; V13-K112 HydrophobicContact CG1-CB 3.79Å; V13-K112 HydrophobicContact CG1-CG 4.15Å; Y110-K112 PolarHBondContact O-N 3.03Å; K112-T114 PolarHBondContact O-N 3.18Å; K112-V115 PolarHBondContact O-N 2.87Å; K112-H116 HydrophobicContact CG-CB 4.32Å; K112-H116 WeakPolarHBondContact O-CB 3.45Å; K112-H116 PolarHBondContact O-N 3.47Å
113D95.5Very high97.6Very high140 Ų14050.6 Ų50.675%0.74924%0.241SC*.Hα-helixtrans-66.4-23.7-175.3-59.4-32000113.2P111 P117P111-D113 PolarHBondContact O-N 3.43Å; D113-P117 WeakPolarHBondContact O-CD 3.5Å
114T95.7Very high97.6Very high87 Ų8755.9 Ų55.953%0.53427%0.268SS..Hα-helixtrans-71.2-40.1177.6-56.70000112P111 K112P111-T114 WeakPolarHBondContact O-CB 3.42Å; P111-T114 PolarHBondContact O-N 2.83Å; K112-T114 PolarHBondContact O-N 3.18Å
115V97.2Very high97.5Very high1 Ų158 Ų581%0.00628%0.278CS..Hα-helixtrans-108.7-21.9-170.5-63.40000113.6Y15 V89 L107 Y110 K112 P117 L118 L119Y15-V115 HydrophobicContact CD2-CG2 3.82Å; Y15-V115 HydrophobicContact CE2-CG2 3.78Å; V89-V115 HydrophobicContact CG1-CG1 3.97Å; L107-V115 HydrophobicContact CD2-CB 3.94Å; L107-V115 HydrophobicContact CD2-CG1 3.9Å; L107-V115 HydrophobicContact CD2-CG2 4.31Å; Y110-V115 HydrophobicContact CD1-CG1 4.1Å; Y110-V115 HydrophobicContact CD2-CG1 3.73Å; Y110-V115 HydrophobicContact CE2-CG1 4.34Å; Y110-V115 HydrophobicContact CG-CG1 3.58Å; K112-V115 PolarHBondContact O-N 2.87Å; V115-P117 VanDerWaalsContact C-CD 3.42Å; V115-L118 PolarHBondContact O-N 3.41Å; V115-L118 VanDerWaalsContact O-N 3.11Å; V115-L119 PolarHBondContact O-N 2.94Å
116H96.9Very high96.9Very high78 Ų7868.6 Ų68.636%0.36132%0.324SS..Hα-helixtrans-55.1-39.7-179.8-175.570.3000114.2Y15 K112 L118 L119 R120Y15-H116 PolarHBondContact OH-ND1 2.93Å; Y15-H116 VanDerWaalsContact OH-ND1 3.15Å; K112-H116 HydrophobicContact CG-CB 4.32Å; K112-H116 WeakPolarHBondContact O-CB 3.45Å; K112-H116 PolarHBondContact O-N 3.47Å; H116-L118 PolarHBondContact O-N 2.79Å; H116-L119 PolarHBondContact O-N 3.06Å; H116-R120 WeakPolarHBondContact O-CB 3.4Å; H116-R120 PolarHBondContact O-N 2.84Å
117P97.6Very high96.8Very high75 Ų7572 Ų7249%0.48734%0.34SS..Hα-helixtrans-58.5-29.9177.8-26.536.3000114.6D113 V115D113-P117 WeakPolarHBondContact O-CD 3.5Å; V115-P117 VanDerWaalsContact C-CD 3.42Å
118L97.9Very high96.6Very high44 Ų4475.7 Ų75.723%0.2336%0.357CS..Hα-helixtrans-80.2-24.8178.6-58.4173000112.1T83 L84 K87 V89 V115 H116T83-L118 HydrophobicContact CG2-CD2 4.35Å; L84-L118 HydrophobicContact CD2-CD1 3.99Å; K87-L118 HydrophobicContact CB-CD1 4.28Å; K87-L118 HydrophobicContact CG-CD1 4.38Å; K87-L118 HydrophobicContact CG-CD2 4.18Å; V89-L118 HydrophobicContact CG2-CD1 3.79Å; V115-L118 PolarHBondContact O-N 3.41Å; V115-L118 VanDerWaalsContact O-N 3.11Å; H116-L118 PolarHBondContact O-N 2.79Å
119L97.9Very high96.5Very high1 Ų179.7 Ų79.71%0.00538%0.376CS..Hα-helixtrans-105.5-16.5-171.7-63.1175.5000114Y15 V17 L69 L80 L107 V115 H116 K121 F122Y15-L119 VanDerWaalsContact CB-CD1 3.49Å; Y15-L119 HydrophobicContact CD1-CD1 3.66Å; Y15-L119 HydrophobicContact CD2-CD1 3.42Å; Y15-L119 VanDerWaalsContact CD2-CD1 3.42Å; Y15-L119 HydrophobicContact CE1-CD1 4.17Å; Y15-L119 HydrophobicContact CE2-CD1 3.96Å; Y15-L119 HydrophobicContact CG-CD1 3.24Å; V17-L119 HydrophobicContact CG2-CD2 4.2Å; L69-L119 HydrophobicContact CD1-CB 3.91Å; L80-L119 HydrophobicContact CD1-CD2 3.88Å; L80-L119 HydrophobicContact CD2-CD2 3.97Å; L107-L119 HydrophobicContact CD2-CD1 4.12Å; V115-L119 PolarHBondContact O-N 2.94Å; H116-L119 PolarHBondContact O-N 3.06Å; L119-K121 PolarHBondContact O-N 2.92Å; L119-F122 HydrophobicContact CD2-CD2 4.49Å; L119-F122 WeakPolarHBondContact O-CD2 3.15Å; L119-F122 PolarHBondContact O-N 3.08Å
120R96Very high96.4Very high192 Ų19284.4 Ų84.473%0.72540%0.398SS*.THydrogen-bonded Turntrans-56.6-20.6-175.269.6-178.5-178.9165.73.2115.6H116 F122H116-R120 WeakPolarHBondContact O-CB 3.4Å; H116-R120 PolarHBondContact O-N 2.84Å; R120-F122 VanDerWaalsContact C-N 3.32Å
121K96.5Very high96.3Very high137 Ų13788.1 Ų88.160%0.59642%0.417SS*.THydrogen-bonded Turntrans-75.3-22.2177.269.8179.4-178.6179.60112.9L119L119-K121 PolarHBondContact O-N 2.92Å
122F98.1Very high96.3Very high27 Ų2793 Ų9312%0.11844%0.438CS..SBendtrans-86.2143.6177.9-59.9-87.3000110V17 L69 Q70 A71 L80 L119 R120V17-F122 HydrophobicContact CG1-CD1 4.31Å; L69-F122 HydrophobicContact CB-CB 3.98Å; L69-F122 HydrophobicContact CD1-CB 4.07Å; Q70-F122 WeakPolarHBondContact O-CD1 3.3Å; A71-F122 HydrophobicContact CB-CE1 4.27Å; L80-F122 HydrophobicContact CB-CE2 4.32Å; L80-F122 HydrophobicContact CB-CZ 3.87Å; L80-F122 HydrophobicContact CD1-CE2 3.62Å; L80-F122 HydrophobicContact CD1-CZ 4.05Å; L80-F122 HydrophobicContact CD2-CD2 4.44Å; L80-F122 HydrophobicContact CD2-CE1 4.49Å; L80-F122 HydrophobicContact CD2-CE2 3.81Å; L80-F122 HydrophobicContact CD2-CZ 3.85Å; L80-F122 HydrophobicContact CG-CE2 4.11Å; L80-F122 HydrophobicContact CG-CZ 4.12Å; L119-F122 HydrophobicContact CD2-CD2 4.49Å; L119-F122 WeakPolarHBondContact O-CD2 3.15Å; L119-F122 PolarHBondContact O-N 3.08Å; R120-F122 VanDerWaalsContact C-N 3.32Å
123K98Very high96.3Very high157 Ų15794.1 Ų94.168%0.68345%0.446SS*.EExtended strand (participates in β ladder)trans-91.7161.5179.2-64.3179.8-179.5176.10110L69 Q70 F125L69-K123 CarbonylContact C-O 3.5Å; L69-K123 WeakPolarHBondContact CA-O 3.41Å; L69-K123 WeakPolarHBondContact CB-O 3.34Å; Q70-K123 HydrophobicContact CG-CB 4.22Å; Q70-K123 PolarHBondContact N-O 3.45Å; K123-F125 PolarHBondContact O-N 3.14Å
124L98.2Very high96.3Very high111 Ų11190.5 Ų90.558%0.58142%0.422SS*.EExtended strand (participates in β ladder)trans-56.6138.2167.8-68.4171.8000109.8V67 L69 Q70V67-L124 HydrophobicContact CG1-CD2 3.86Å; L69-L124 HydrophobicContact CD2-CD2 4.1Å; Q70-L124 PolarHBondContact OE1-O 3.48Å
125F96.6Very high96.4Very high46 Ų4690.8 Ų90.820%0.20241%0.413CS..PPolyproline II helixtrans-67134173.9-167-83.7000109.5V18 V23 V33 V68 Q70 K123V18-F125 HydrophobicContact CB-CD2 3.75Å; V18-F125 HydrophobicContact CB-CE2 3.75Å; V18-F125 HydrophobicContact CG1-CD2 4.16Å; V18-F125 HydrophobicContact CG1-CE2 3.63Å; V18-F125 HydrophobicContact CG1-CZ 4.19Å; V23-F125 HydrophobicContact CG2-CZ 4.15Å; V33-F125 HydrophobicContact CG1-CZ 4.47Å; V68-F125 HydrophobicContact CB-CB 4.39Å; V68-F125 HydrophobicContact CG1-CB 3.77Å; V68-F125 HydrophobicContact CG1-CG 4.32Å; V68-F125 PolarHBondContact O-N 3.19Å; Q70-F125 HydrophobicContact CB-CB 4.3Å; Q70-F125 HydrophobicContact CB-CD2 3.69Å; Q70-F125 HydrophobicContact CB-CE2 4.48Å; Q70-F125 HydrophobicContact CB-CG 4.36Å; K123-F125 PolarHBondContact O-N 3.14Å
126K85.8Confident96.3Very high221 Ų22199 Ų9996%0.96145%0.45SS*.  trans-123.10-178.3-70.9-171.1177.2-173.70111.6

Retrieved 126 of 126 residues in 85.2 ms (Link to these results)

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