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Ubiquitin carboxyl-terminal hydrolase MINDY

Hydrolase that can remove 'Lys-48'-linked conjugated ubiquitin from proteins.

AlphaFold DB (F1PJ81), UniProt , Accession X6R9S5, Species HUMAN (Homo sapiens, Human), Gene MINDY3, Length 150 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low62.7Low244 Ų244100.9 Ų100.9100%1.20261%0.606SS**  0105.40-98.8163.5160.600107.1
2A40.5Very low64.8Low96 Ų96100.8 Ų100.879%0.79359%0.594SS**  trans-85.7126.1174.400000108V4A2-V4 PolarHBondContact O-N 2.93Å
3L51.2Low66.7Low182 Ų18293 Ų9395%0.95355%0.548SS*.  trans-80.419.8179.3-72.9162.6000112.6
4V45.9Very low68.3Low121 Ų12193.3 Ų93.373%0.73354%0.535SS*.  trans-119.3113-174.1-176.10000106.9A2A2-V4 PolarHBondContact O-N 2.93Å
5A55.4Low69.7Low81 Ų8196.7 Ų96.767%0.66954%0.536SS*.PPolyproline II helixtrans-58.7143.7168.400000108.9E7A5-E7 PolarHBondContact O-N 2.96Å
6P61.1Low71.2Confident127 Ų12792.3 Ų92.383%0.82551%0.512SS*.PPolyproline II helixtrans-56135.9175.322.7-30.9000109.8A8P6-A8 PolarHBondContact O-N 3.43Å
7E68Low72.4Confident89 Ų8986.9 Ų86.942%0.41648%0.483SS..PPolyproline II helixtrans-54.8133.8176.6-176171-159.100109.5A5 E11 R15A5-E7 PolarHBondContact O-N 2.96Å; E7-E11 HydrophobicContact CG-CB 3.86Å; E7-R15 WeakPolarHBondContact OE1-CD 3.37Å; E7-R15 IonicContact OE1-CZ 3.81Å; E7-R15 IonicContact OE1-NE 3.85Å; E7-R15 IonicContact OE1-NH1 2.93Å; E7-R15 PolarHBondContact OE1-NH1 2.97Å; E7-R15 IonicContact OE2-NH1 3.12Å; E7-R15 PolarHBondContact OE2-NH1 2.78Å; E7-R15 VanDerWaalsContact OE2-NH1 3.12Å
8A78.4Confident73.4Confident39 Ų3985.8 Ų85.832%0.32247%0.473SS..PPolyproline II helixtrans-64.8137176.900000109.2P6 S10 E11 Q12P6-A8 PolarHBondContact O-N 3.43Å; A8-S10 PolarHBondContact O-N 3.24Å; A8-S10 VanDerWaalsContact O-N 3.08Å; A8-E11 HydrophobicContact CB-CB 4.47Å; A8-E11 HydrophobicContact CB-CG 4.34Å; A8-E11 WeakPolarHBondContact O-CA 3.36Å; A8-E11 WeakPolarHBondContact O-CB 3.36Å; A8-E11 PolarHBondContact O-N 3.03Å; A8-Q12 PolarHBondContact O-N 3.3Å; A8-Q12 VanDerWaalsContact O-N 3.09Å
9P83.7Confident74.4Confident61 Ų6186.8 Ų86.840%0.39648%0.482SS..Hα-helixtrans-45.3-36.8172.6-32.431.9000114.7A13 F74 Q77P9-A13 WeakPolarHBondContact O-CB 3.47Å; P9-A13 PolarHBondContact O-N 2.63Å; P9-F74 HydrophobicContact CB-CD1 3.87Å; P9-F74 HydrophobicContact CB-CE1 3.86Å; P9-Q77 VanDerWaalsContact CD-NE2 3.34Å; P9-Q77 VanDerWaalsContact CD-OE1 3.28Å
10S83.1Confident75.3Confident11 Ų1185.7 Ų85.78%0.07747%0.47CS..Hα-helixtrans-68.5-34.3175.158.10000114A8 A13 R14 Q77A8-S10 PolarHBondContact O-N 3.24Å; A8-S10 VanDerWaalsContact O-N 3.08Å; S10-A13 WeakPolarHBondContact O-CB 3.19Å; S10-A13 PolarHBondContact O-N 3.45Å; S10-R14 WeakPolarHBondContact O-CB 3.33Å; S10-R14 PolarHBondContact O-N 3.15Å; S10-Q77 WeakPolarHBondContact OG-CB 3.21Å; S10-Q77 PolarHBondContact OG-OE1 3.18Å
11E84.1Confident76Confident59 Ų5982.1 Ų82.128%0.27645%0.451SS..Hα-helixtrans-71.6-39.4175.7-74.8-57.3128.300111.3E7 A8 A13 R14 R15E7-E11 HydrophobicContact CG-CB 3.86Å; A8-E11 HydrophobicContact CB-CB 4.47Å; A8-E11 HydrophobicContact CB-CG 4.34Å; A8-E11 WeakPolarHBondContact O-CA 3.36Å; A8-E11 WeakPolarHBondContact O-CB 3.36Å; A8-E11 PolarHBondContact O-N 3.03Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 3.5Å; E11-R14 PolarHBondContact O-N 2.97Å; E11-R14 IonicContact OE1-NE 2.86Å; E11-R14 IonicContact OE2-CZ 2.64Å; E11-R14 IonicContact OE2-NE 2.63Å; E11-R14 PolarHBondContact OE2-NE 3.41Å; E11-R14 IonicContact OE2-NH2 2.78Å; E11-R14 PolarHBondContact OE2-NH2 3.11Å; E11-R15 WeakPolarHBondContact O-CG 3.27Å; E11-R15 PolarHBondContact O-N 3.24Å
12Q87.9Confident78.3Confident99 Ų9976.5 Ų76.546%0.46343%0.432SS..Hα-helixtrans-59.9-46.2169.7-178.8-178.4-17.200110.5A8 R14 R15 V16 L40A8-Q12 PolarHBondContact O-N 3.3Å; A8-Q12 VanDerWaalsContact O-N 3.09Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-R14 PolarHBondContact O-N 3.32Å; Q12-R15 PolarHBondContact O-N 2.96Å; Q12-V16 WeakPolarHBondContact O-CG2 3.35Å; Q12-V16 PolarHBondContact O-N 2.62Å; Q12-L40 HydrophobicContact CG-CD2 4.45Å
13A89.6Confident80.4Confident0 Ų078.9 Ų78.90%043%0.427CS..Hα-helixtrans-57.9-44.3176.200000112.9P9 S10 E11 V16 F17 L40 F69 L70 F74P9-A13 WeakPolarHBondContact O-CB 3.47Å; P9-A13 PolarHBondContact O-N 2.63Å; S10-A13 WeakPolarHBondContact O-CB 3.19Å; S10-A13 PolarHBondContact O-N 3.45Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 3.5Å; A13-V16 PolarHBondContact O-N 3.2Å; A13-F17 VanDerWaalsContact O-CB 3.29Å; A13-F17 WeakPolarHBondContact O-CB 3.02Å; A13-F17 PolarHBondContact O-N 3.39Å; A13-L40 HydrophobicContact CB-CD1 3.86Å; A13-L40 HydrophobicContact CB-CD2 4.06Å; A13-F69 HydrophobicContact CB-CE1 4.48Å; A13-L70 HydrophobicContact CB-CD2 3.59Å; A13-F74 HydrophobicContact CB-CD2 3.83Å; A13-F74 HydrophobicContact CB-CE1 4.48Å; A13-F74 HydrophobicContact CB-CE2 3.25Å; A13-F74 HydrophobicContact CB-CZ 3.64Å
14R88.9Confident81.9Confident97 Ų9775.9 Ų75.937%0.36641%0.412SS..Hα-helixtrans-60.4-46.9175.9-175.5169.377.3125.3-1.2112S10 E11 Q12 F17 Q18 L66 L70S10-R14 WeakPolarHBondContact O-CB 3.33Å; S10-R14 PolarHBondContact O-N 3.15Å; E11-R14 PolarHBondContact O-N 2.97Å; E11-R14 IonicContact OE1-NE 2.86Å; E11-R14 IonicContact OE2-CZ 2.64Å; E11-R14 IonicContact OE2-NE 2.63Å; E11-R14 PolarHBondContact OE2-NE 3.41Å; E11-R14 IonicContact OE2-NH2 2.78Å; E11-R14 PolarHBondContact OE2-NH2 3.11Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-R14 PolarHBondContact O-N 3.32Å; R14-F17 PolarHBondContact O-N 3.05Å; R14-Q18 WeakPolarHBondContact O-CB 3.46Å; R14-Q18 WeakPolarHBondContact O-CG 3.39Å; R14-Q18 PolarHBondContact O-N 3.27Å; R14-L66 HydrophobicContact CB-CD1 4.49Å; R14-L66 HydrophobicContact CG-CD1 4.26Å; R14-L66 HydrophobicContact CG-CD2 3.94Å; R14-L70 HydrophobicContact CB-CD1 4.34Å
15R89.6Confident83.8Confident144 Ų14474.3 Ų74.354%0.54340%0.399SS..Hα-helixtrans-63.7-44.2179.4-72.6174.172.4-160.7-1.1111.9E7 E11 Q12 Q18 T19E7-R15 WeakPolarHBondContact OE1-CD 3.37Å; E7-R15 IonicContact OE1-CZ 3.81Å; E7-R15 IonicContact OE1-NE 3.85Å; E7-R15 IonicContact OE1-NH1 2.93Å; E7-R15 PolarHBondContact OE1-NH1 2.97Å; E7-R15 IonicContact OE2-NH1 3.12Å; E7-R15 PolarHBondContact OE2-NH1 2.78Å; E7-R15 VanDerWaalsContact OE2-NH1 3.12Å; E11-R15 WeakPolarHBondContact O-CG 3.27Å; E11-R15 PolarHBondContact O-N 3.24Å; Q12-R15 PolarHBondContact O-N 2.96Å; R15-Q18 PolarHBondContact O-N 3.07Å; R15-T19 WeakPolarHBondContact O-CG2 3.44Å; R15-T19 PolarHBondContact O-N 3.14Å
16V93.1Very high85.2Confident27 Ų2771.8 Ų71.816%0.16438%0.381CS..Hα-helixtrans-61.6-49.4175.8173.90000109.4Q12 A13 Q18 T19 Y20 A39 L40Q12-V16 WeakPolarHBondContact O-CG2 3.35Å; Q12-V16 PolarHBondContact O-N 2.62Å; A13-V16 PolarHBondContact O-N 3.2Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.48Å; V16-T19 WeakPolarHBondContact O-CB 3.43Å; V16-T19 PolarHBondContact O-N 3.21Å; V16-T19 PolarHBondContact O-OG1 3.27Å; V16-Y20 HydrophobicContact CG1-CE2 3.97Å; V16-Y20 WeakPolarHBondContact O-CD2 3.4Å; V16-A39 HydrophobicContact CG1-CB 3.58Å; V16-L40 HydrophobicContact CB-CD2 3.77Å; V16-L40 HydrophobicContact CB-CG 4.08Å; V16-L40 HydrophobicContact CG1-CD1 4.49Å; V16-L40 HydrophobicContact CG1-CD2 4.17Å; V16-L40 HydrophobicContact CG1-CG 3.96Å; V16-L40 HydrophobicContact CG2-CD2 3.66Å; V16-L40 HydrophobicContact CG2-CG 4.36Å
17F92.1Very high86.8Confident1 Ų169.1 Ų69.10%0.00436%0.357CS..Hα-helixtrans-54.7-44.8178-165.2-76.8000112.1A13 R14 T19 Y20 D21 I28 V36 I64 L66 F69A13-F17 VanDerWaalsContact O-CB 3.29Å; A13-F17 WeakPolarHBondContact O-CB 3.02Å; A13-F17 PolarHBondContact O-N 3.39Å; R14-F17 PolarHBondContact O-N 3.05Å; F17-T19 PolarHBondContact O-N 3.26Å; F17-Y20 PolarHBondContact O-N 2.99Å; F17-D21 PolarHBondContact O-N 3.07Å; F17-I28 HydrophobicContact CD1-CG2 4.03Å; F17-I28 HydrophobicContact CD2-CD1 4.1Å; F17-I28 HydrophobicContact CE1-CB 4.33Å; F17-I28 HydrophobicContact CE1-CD1 4.37Å; F17-I28 HydrophobicContact CE1-CG1 4.14Å; F17-I28 HydrophobicContact CE1-CG2 3.61Å; F17-I28 HydrophobicContact CE2-CD1 3.58Å; F17-I28 HydrophobicContact CE2-CG1 3.92Å; F17-I28 HydrophobicContact CZ-CB 4.23Å; F17-I28 HydrophobicContact CZ-CD1 3.75Å; F17-I28 HydrophobicContact CZ-CG1 3.56Å; F17-I28 HydrophobicContact CZ-CG2 3.96Å; F17-V36 HydrophobicContact CD2-CG1 4.1Å; F17-I64 HydrophobicContact CE2-CG2 4.25Å; F17-I64 HydrophobicContact CZ-CG2 4.45Å; F17-I64 WeakPolarHBondContact CZ-O 3.45Å; F17-L66 HydrophobicContact CB-CD1 3.78Å; F17-L66 HydrophobicContact CD1-CB 4.1Å; F17-L66 HydrophobicContact CD1-CD1 3.73Å; F17-L66 HydrophobicContact CD1-CG 4.45Å; F17-L66 HydrophobicContact CD2-CD1 4.11Å; F17-L66 HydrophobicContact CE1-CB 3.84Å; F17-L66 HydrophobicContact CE1-CD1 4.29Å; F17-L66 HydrophobicContact CG-CD1 3.62Å; F17-L66 HydrophobicContact CZ-CB 4.21Å; F17-F69 HydrophobicContact CD2-CB 4.44Å; F17-F69 AromaticContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD2 4.41Å; F17-F69 HydrophobicContact CD2-CE1 4.1Å; F17-F69 AromaticContact CD2-CG 3.94Å; F17-F69 HydrophobicContact CD2-CG 3.94Å; F17-F69 HydrophobicContact CE2-CB 3.96Å; F17-F69 HydrophobicContact CE2-CD1 4.11Å; F17-F69 HydrophobicContact CE2-CD2 4.2Å; F17-F69 AromaticContact CE2-CG 3.82Å; F17-F69 HydrophobicContact CE2-CG 3.82Å
18Q90.4Very high88Confident67 Ų6764.9 Ų64.931%0.31334%0.337SS..Hα-helixtrans-61.8-26.6176.4-76.6176-16.600113.7R14 R15 V16 Y20 D21R14-Q18 WeakPolarHBondContact O-CB 3.46Å; R14-Q18 WeakPolarHBondContact O-CG 3.39Å; R14-Q18 PolarHBondContact O-N 3.27Å; R15-Q18 PolarHBondContact O-N 3.07Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.48Å; Q18-Y20 PolarHBondContact O-N 2.92Å; Q18-D21 CarbonylContact O-C 3.52Å; Q18-D21 PolarHBondContact O-N 3.11Å
19T93.4Very high88.8Confident104 Ų10465.8 Ų65.864%0.63834%0.34SS*.Hα-helixtrans-66.1-19.4173.267.40000113.2R15 V16 F17R15-T19 WeakPolarHBondContact O-CG2 3.44Å; R15-T19 PolarHBondContact O-N 3.14Å; V16-T19 WeakPolarHBondContact O-CB 3.43Å; V16-T19 PolarHBondContact O-N 3.21Å; V16-T19 PolarHBondContact O-OG1 3.27Å; F17-T19 PolarHBondContact O-N 3.26Å
20Y91.8Very high89.3Confident65 Ų6565.3 Ų65.326%0.25533%0.334SS..THydrogen-bonded Turntrans-100.8-3.7176.5-62.8-94.6000113V16 F17 Q18 P22 L32 D35 V36 A39V16-Y20 HydrophobicContact CG1-CE2 3.97Å; V16-Y20 WeakPolarHBondContact O-CD2 3.4Å; F17-Y20 PolarHBondContact O-N 2.99Å; Q18-Y20 PolarHBondContact O-N 2.92Å; Y20-P22 VanDerWaalsContact C-CD 3.49Å; Y20-P22 VanDerWaalsContact O-CD 3.27Å; Y20-P22 WeakPolarHBondContact O-CD 3.29Å; Y20-L32 HydrophobicContact CD1-CB 4.44Å; Y20-L32 HydrophobicContact CD1-CD1 4.34Å; Y20-D35 HydrophobicContact CE1-CB 3.7Å; Y20-V36 HydrophobicContact CD1-CG2 4.21Å; Y20-V36 HydrophobicContact CD2-CG2 3.41Å; Y20-V36 VanDerWaalsContact CD2-CG2 3.41Å; Y20-V36 HydrophobicContact CE2-CG2 3.84Å; Y20-V36 HydrophobicContact CG-CG2 3.63Å; Y20-A39 HydrophobicContact CE2-CB 4.45Å
21D90.3Very high89.8Confident11 Ų1168.4 Ų68.46%0.05936%0.356CS..  trans-113.578173.5-179.18.5000109.6F17 Q18 E23 D24 N25 G26 F27 I28F17-D21 PolarHBondContact O-N 3.07Å; Q18-D21 CarbonylContact O-C 3.52Å; Q18-D21 PolarHBondContact O-N 3.11Å; D21-E23 PolarHBondContact O-N 3.26Å; D21-E23 VanDerWaalsContact O-N 3.15Å; D21-E23 PolarHBondContact OD1-N 2.95Å; D21-D24 PolarHBondContact O-N 3.34Å; D21-D24 PolarHBondContact OD1-N 2.88Å; D21-D24 VanDerWaalsContact OD1-N 3.12Å; D21-N25 PolarHBondContact OD1-N 3.43Å; D21-N25 PolarHBondContact OD2-N 2.98Å; D21-G26 WeakPolarHBondContact OD2-CA 3.47Å; D21-G26 PolarHBondContact OD2-N 3.17Å; D21-F27 VanDerWaalsContact CG-O 3.32Å; D21-F27 PolarHBondContact OD2-N 3.34Å; D21-I28 HydrophobicContact CB-CG2 3.99Å
22P85.5Confident90.3Very high125 Ų12567.9 Ų67.981%0.81235%0.354SS*.THydrogen-bonded Turntrans-66.3-15.6-176.428.4-35.9000113.5Y20Y20-P22 VanDerWaalsContact C-CD 3.49Å; Y20-P22 VanDerWaalsContact O-CD 3.27Å; Y20-P22 WeakPolarHBondContact O-CD 3.29Å
23E84.4Confident90.6Very high147 Ų14763.2 Ų63.269%0.68733%0.332SS*.THydrogen-bonded Turntrans-95.2-5.2-179.7-60.5-167.3125.800112.7D21 N25D21-E23 PolarHBondContact O-N 3.26Å; D21-E23 VanDerWaalsContact O-N 3.15Å; D21-E23 PolarHBondContact OD1-N 2.95Å; E23-N25 WeakPolarHBondContact CB-ND2 3.26Å; E23-N25 PolarHBondContact O-N 3.29Å; E23-N25 PolarHBondContact OE2-ND2 2.9Å; E23-N25 VanDerWaalsContact OE2-ND2 3.14Å
24D83.8Confident90.9Very high119 Ų11966.6 Ų66.664%0.63635%0.348SS*.  trans52.138.3-177-16339000112.6D21 G26D21-D24 PolarHBondContact O-N 3.34Å; D21-D24 PolarHBondContact OD1-N 2.88Å; D21-D24 VanDerWaalsContact OD1-N 3.12Å; D24-G26 VanDerWaalsContact C-N 3.33Å
25N84.6Confident91.2Very high87 Ų8765.3 Ų65.347%0.46535%0.349SS..SBendtrans-86-6.3-178.6-71.2-35.2000112.9D21 E23 F27D21-N25 PolarHBondContact OD1-N 3.43Å; D21-N25 PolarHBondContact OD2-N 2.98Å; E23-N25 WeakPolarHBondContact CB-ND2 3.26Å; E23-N25 PolarHBondContact O-N 3.29Å; E23-N25 PolarHBondContact OE2-ND2 2.9Å; E23-N25 VanDerWaalsContact OE2-ND2 3.14Å; N25-F27 HydrophobicContact CB-CD1 3.77Å; N25-F27 HydrophobicContact CB-CE1 3.46Å; N25-F27 VanDerWaalsContact CB-CE1 3.46Å; N25-F27 HydrophobicContact CB-CZ 4.15Å
26G86.4Confident91.4Very high28 Ų2858.5 Ų58.529%0.28932%0.323SS..SBendtrans84.616.2179.900000114.3D21 D24 L66D21-G26 WeakPolarHBondContact OD2-CA 3.47Å; D21-G26 PolarHBondContact OD2-N 3.17Å; D24-G26 VanDerWaalsContact C-N 3.33Å; G26-L66 PolarHBondContact O-N 3.09Å
27F93.2Very high91.5Very high72 Ų7257.2 Ų57.232%0.31632%0.315SS..EExtended strand (participates in β ladder)trans-150.6157.2-179.470.6-97.3000112.8D21 N25 I63 I64 L65D21-F27 VanDerWaalsContact CG-O 3.32Å; D21-F27 PolarHBondContact OD2-N 3.34Å; N25-F27 HydrophobicContact CB-CD1 3.77Å; N25-F27 HydrophobicContact CB-CE1 3.46Å; N25-F27 VanDerWaalsContact CB-CE1 3.46Å; N25-F27 HydrophobicContact CB-CZ 4.15Å; F27-I63 HydrophobicContact CD2-CB 4.13Å; F27-I63 HydrophobicContact CD2-CG2 3.93Å; F27-I63 HydrophobicContact CE2-CG2 4.14Å; F27-I64 CarbonylContact C-O 3.56Å; F27-I64 VanDerWaalsContact CA-O 3.22Å; F27-I64 WeakPolarHBondContact CA-O 3.44Å; F27-I64 WeakPolarHBondContact CB-O 3.15Å; F27-L65 HydrophobicContact CB-CD2 3.84Å
28I94.6Very high91.6Very high0 Ų061.9 Ų61.90%034%0.336CS..EExtended strand (participates in β ladder)trans-127.4156173.363.7-178.2000110.4F17 D21 L32 V36 I63 I64F17-I28 HydrophobicContact CD1-CG2 4.03Å; F17-I28 HydrophobicContact CD2-CD1 4.1Å; F17-I28 HydrophobicContact CE1-CB 4.33Å; F17-I28 HydrophobicContact CE1-CD1 4.37Å; F17-I28 HydrophobicContact CE1-CG1 4.14Å; F17-I28 HydrophobicContact CE1-CG2 3.61Å; F17-I28 HydrophobicContact CE2-CD1 3.58Å; F17-I28 HydrophobicContact CE2-CG1 3.92Å; F17-I28 HydrophobicContact CZ-CB 4.23Å; F17-I28 HydrophobicContact CZ-CD1 3.75Å; F17-I28 HydrophobicContact CZ-CG1 3.56Å; F17-I28 HydrophobicContact CZ-CG2 3.96Å; D21-I28 HydrophobicContact CB-CG2 3.99Å; I28-L32 HydrophobicContact CB-CB 4.49Å; I28-L32 HydrophobicContact CD1-CB 4.25Å; I28-V36 HydrophobicContact CD1-CB 4.38Å; I28-V36 HydrophobicContact CD1-CG2 3.6Å; I28-I63 CarbonylContact O-C 3.55Å; I28-I63 WeakPolarHBondContact O-CA 3.49Å; I28-I64 HydrophobicContact CG1-CB 3.99Å; I28-I64 PolarHBondContact N-O 2.92Å; I28-I64 PolarHBondContact O-N 3.06Å
29P94.8Very high91.7Very high58 Ų5861 Ų6138%0.37734%0.34SS..EExtended strand (participates in β ladder)trans-58.3144.2166.1-22.633.2000111.8S31 L32P29-S31 PolarHBondContact O-N 3.09Å; P29-S31 VanDerWaalsContact O-N 3.11Å; P29-L32 HydrophobicContact CG-CD1 4.37Å; P29-L32 PolarHBondContact O-N 3.29Å
30D94Very high91.7Very high51 Ų5157 Ų5727%0.27331%0.314SS..G310 helixtrans-58.3-25.4176.684.2-45.7000113.2L32 L33 K53 G62 I64D30-L32 PolarHBondContact O-N 2.97Å; D30-L33 WeakPolarHBondContact O-CB 3.02Å; D30-L33 PolarHBondContact O-N 2.74Å; D30-K53 HydrophobicContact CB-CD 4.37Å; D30-K53 HydrophobicContact CB-CG 4.48Å; D30-K53 WeakPolarHBondContact O-CE 3.48Å; D30-K53 PolarHBondContact O-NZ 2.84Å; D30-K53 WeakPolarHBondContact OD2-CD 3.46Å; D30-K53 IonicContact OD2-NZ 2.78Å; D30-K53 PolarHBondContact OD2-NZ 3.24Å; D30-G62 PolarHBondContact N-O 2.78Å; D30-I64 HydrophobicContact CB-CD1 4.28Å; D30-I64 HydrophobicContact CB-CG1 4.31Å
31S93.3Very high91.7Very high76 Ų7661.5 Ų61.553%0.53134%0.343SS..G310 helixtrans-62.3-26.2174.958.60000113P29P29-S31 PolarHBondContact O-N 3.09Å; P29-S31 VanDerWaalsContact O-N 3.11Å
32L94.8Very high91.7Very high48 Ų4862.9 Ų62.925%0.25135%0.35SS..G310 helixtrans-90.5-7.4179.1-59.3-175.1000113.4Y20 I28 P29 D30 E34 D35 V36Y20-L32 HydrophobicContact CD1-CB 4.44Å; Y20-L32 HydrophobicContact CD1-CD1 4.34Å; I28-L32 HydrophobicContact CB-CB 4.49Å; I28-L32 HydrophobicContact CD1-CB 4.25Å; P29-L32 HydrophobicContact CG-CD1 4.37Å; P29-L32 PolarHBondContact O-N 3.29Å; D30-L32 PolarHBondContact O-N 2.97Å; L32-E34 VanDerWaalsContact C-N 3.28Å; L32-E34 PolarHBondContact O-N 3.23Å; L32-D35 PolarHBondContact O-N 3.12Å; L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 3.18Å
33L94.7Very high92Very high0 Ų060.8 Ų60.80%033%0.334CS..Hα-helixtrans-58.2-41.2-178-179.761.7000112.1D30 D35 V36 M37 M52 K53 L56 I64 F69D30-L33 WeakPolarHBondContact O-CB 3.02Å; D30-L33 PolarHBondContact O-N 2.74Å; L33-D35 PolarHBondContact O-N 2.94Å; L33-V36 PolarHBondContact O-N 2.85Å; L33-M37 HydrophobicContact CD1-CG 4.13Å; L33-M37 HydrophobicContact CD1-SD 3.87Å; L33-M37 HydrophobicContact CD2-SD 4.36Å; L33-M37 HydrophobicContact CG-CG 4.45Å; L33-M37 HydrophobicContact CG-SD 3.81Å; L33-M37 WeakPolarHBondContact O-CB 3.34Å; L33-M37 VanDerWaalsContact O-CG 3.26Å; L33-M37 WeakPolarHBondContact O-CG 3.38Å; L33-M37 PolarHBondContact O-N 3.12Å; L33-M52 HydrophobicContact CD2-CB 4.16Å; L33-K53 HydrophobicContact CD2-CG 3.66Å; L33-L56 HydrophobicContact CD1-CD1 4.13Å; L33-L56 HydrophobicContact CD2-CD1 4.21Å; L33-I64 HydrophobicContact CB-CG1 4.31Å; L33-I64 HydrophobicContact CD1-CG1 4.41Å; L33-I64 HydrophobicContact CD1-CG2 4.32Å; L33-I64 HydrophobicContact CD2-CD1 4.32Å; L33-I64 HydrophobicContact CD2-CG1 4.38Å; L33-F69 HydrophobicContact CD1-CD2 3.91Å; L33-F69 HydrophobicContact CD1-CE2 3.86Å
34E94.8Very high92.3Very high71 Ų7155.2 Ų55.233%0.33231%0.312SS..Hα-helixtrans-62.7-43.2179-175.4179.716300111.8L32 M37 K38 I49L32-E34 VanDerWaalsContact C-N 3.28Å; L32-E34 PolarHBondContact O-N 3.23Å; E34-M37 PolarHBondContact O-N 3.3Å; E34-K38 HydrophobicContact CG-CD 4.4Å; E34-K38 WeakPolarHBondContact O-CG 3.22Å; E34-K38 PolarHBondContact O-N 3.3Å; E34-K38 WeakPolarHBondContact OE1-CE 3.39Å; E34-K38 IonicContact OE1-NZ 2.63Å; E34-K38 PolarHBondContact OE1-NZ 3.37Å; E34-I49 HydrophobicContact CB-CD1 4.28Å; E34-I49 HydrophobicContact CB-CG1 4.29Å; E34-I49 HydrophobicContact CB-CG2 4.35Å; E34-I49 HydrophobicContact CG-CD1 4.41Å; E34-I49 HydrophobicContact CG-CG1 4.2Å
35D95.1Very high92.7Very high71 Ų7154.3 Ų54.338%0.3831%0.307SS..Hα-helixtrans-67.1-41.1-180-67-38.1000111.5Y20 L32 L33 K38 A39Y20-D35 HydrophobicContact CE1-CB 3.7Å; L32-D35 PolarHBondContact O-N 3.12Å; L33-D35 PolarHBondContact O-N 2.94Å; D35-K38 PolarHBondContact O-N 3.41Å; D35-A39 WeakPolarHBondContact O-CB 3.45Å; D35-A39 PolarHBondContact O-N 3.13Å
36V94.8Very high93Very high0 Ų054.9 Ų54.90%032%0.315CS..Hα-helixtrans-61.9-45.9175170.30000111.3F17 Y20 I28 L32 L33 K38 A39 L40 F69F17-V36 HydrophobicContact CD2-CG1 4.1Å; Y20-V36 HydrophobicContact CD1-CG2 4.21Å; Y20-V36 HydrophobicContact CD2-CG2 3.41Å; Y20-V36 VanDerWaalsContact CD2-CG2 3.41Å; Y20-V36 HydrophobicContact CE2-CG2 3.84Å; Y20-V36 HydrophobicContact CG-CG2 3.63Å; I28-V36 HydrophobicContact CD1-CB 4.38Å; I28-V36 HydrophobicContact CD1-CG2 3.6Å; L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 3.18Å; L33-V36 PolarHBondContact O-N 2.85Å; V36-K38 PolarHBondContact O-N 3.38Å; V36-A39 PolarHBondContact O-N 2.87Å; V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 WeakPolarHBondContact O-CG 3.35Å; V36-L40 PolarHBondContact O-N 3.17Å; V36-F69 HydrophobicContact CG1-CE1 4.3Å; V36-F69 HydrophobicContact CG1-CE2 4.08Å; V36-F69 HydrophobicContact CG1-CZ 3.71Å
37M94.5Very high93.3Very high0 Ų061.7 Ų61.70%034%0.34CS..Hα-helixtrans-65.3-39.2-179.9-72.1178.368.400111.9L33 E34 L40 D41 L42 V43 Y48 I49 M52 F69 F73L33-M37 HydrophobicContact CD1-CG 4.13Å; L33-M37 HydrophobicContact CD1-SD 3.87Å; L33-M37 HydrophobicContact CD2-SD 4.36Å; L33-M37 HydrophobicContact CG-CG 4.45Å; L33-M37 HydrophobicContact CG-SD 3.81Å; L33-M37 WeakPolarHBondContact O-CB 3.34Å; L33-M37 VanDerWaalsContact O-CG 3.26Å; L33-M37 WeakPolarHBondContact O-CG 3.38Å; L33-M37 PolarHBondContact O-N 3.12Å; E34-M37 PolarHBondContact O-N 3.3Å; M37-L40 CarbonylContact O-C 3.55Å; M37-L40 PolarHBondContact O-N 3.48Å; M37-D41 PolarHBondContact O-N 3.43Å; M37-L42 HydrophobicContact CB-CB 4.19Å; M37-L42 HydrophobicContact CE-CB 4.33Å; M37-L42 HydrophobicContact CG-CD1 4.35Å; M37-L42 PolarHBondContact O-N 2.79Å; M37-V43 WeakPolarHBondContact CE-O 3.46Å; M37-Y48 HydrophobicContact CE-CD1 3.91Å; M37-Y48 HydrophobicContact CE-CE1 3.65Å; M37-I49 HydrophobicContact CB-CD1 4.24Å; M37-I49 HydrophobicContact CE-CD1 3.83Å; M37-I49 HydrophobicContact CG-CD1 4.34Å; M37-I49 HydrophobicContact SD-CD1 3.29Å; M37-I49 WeakPolarHBondContact SD-CD1 3.39Å; M37-M52 HydrophobicContact CE-CG 4.43Å; M37-F69 HydrophobicContact CG-CE2 4.17Å; M37-F73 HydrophobicContact CE-CE1 3.54Å; M37-F73 HydrophobicContact CE-CE2 4.49Å; M37-F73 HydrophobicContact CE-CZ 3.46Å; M37-F73 VanDerWaalsContact CE-CZ 3.46Å; M37-F73 HydrophobicContact CG-CZ 4.42Å; M37-F73 HydrophobicContact SD-CE1 4.38Å; M37-F73 HydrophobicContact SD-CE2 4.33Å; M37-F73 HydrophobicContact SD-CZ 3.72Å
38K93.9Very high93.3Very high100 Ų10061.9 Ų61.944%0.43534%0.339SS..Hα-helixtrans-63.7-43172.4-75.3174.9-174.4165.50112.5E34 D35 V36 L40 D41 S44E34-K38 HydrophobicContact CG-CD 4.4Å; E34-K38 WeakPolarHBondContact O-CG 3.22Å; E34-K38 PolarHBondContact O-N 3.3Å; E34-K38 WeakPolarHBondContact OE1-CE 3.39Å; E34-K38 IonicContact OE1-NZ 2.63Å; E34-K38 PolarHBondContact OE1-NZ 3.37Å; D35-K38 PolarHBondContact O-N 3.41Å; V36-K38 PolarHBondContact O-N 3.38Å; K38-L40 PolarHBondContact O-N 2.86Å; K38-D41 PolarHBondContact O-N 2.72Å; K38-D41 VanDerWaalsContact O-N 3.11Å; K38-S44 WeakPolarHBondContact CG-OG 3.45Å
39A93.9Very high93.3Very high48 Ų4862.1 Ų62.140%0.39734%0.34SS..Hα-helixtrans-64.2-24.2177.900000112.6V16 Y20 D35 V36V16-A39 HydrophobicContact CG1-CB 3.58Å; Y20-A39 HydrophobicContact CE2-CB 4.45Å; D35-A39 WeakPolarHBondContact O-CB 3.45Å; D35-A39 PolarHBondContact O-N 3.13Å; V36-A39 PolarHBondContact O-N 2.87Å
40L92Very high93.2Very high21 Ų2164 Ų6411%0.1135%0.347CS..THydrogen-bonded Turntrans-95.55.8176-69.3170.8000114.6Q12 A13 V16 V36 M37 K38 L42 F69Q12-L40 HydrophobicContact CG-CD2 4.45Å; A13-L40 HydrophobicContact CB-CD1 3.86Å; A13-L40 HydrophobicContact CB-CD2 4.06Å; V16-L40 HydrophobicContact CB-CD2 3.77Å; V16-L40 HydrophobicContact CB-CG 4.08Å; V16-L40 HydrophobicContact CG1-CD1 4.49Å; V16-L40 HydrophobicContact CG1-CD2 4.17Å; V16-L40 HydrophobicContact CG1-CG 3.96Å; V16-L40 HydrophobicContact CG2-CD2 3.66Å; V16-L40 HydrophobicContact CG2-CG 4.36Å; V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 WeakPolarHBondContact O-CG 3.35Å; V36-L40 PolarHBondContact O-N 3.17Å; M37-L40 CarbonylContact O-C 3.55Å; M37-L40 PolarHBondContact O-N 3.48Å; K38-L40 PolarHBondContact O-N 2.86Å; L40-L42 HydrophobicContact CB-CD1 4Å; L40-L42 HydrophobicContact CB-CG 3.92Å; L40-L42 HydrophobicContact CD1-CD1 4.35Å; L40-L42 PolarHBondContact O-N 2.92Å; L40-F69 HydrophobicContact CD1-CE1 3.81Å; L40-F69 HydrophobicContact CD1-CZ 3.68Å
41D92.2Very high93.2Very high158 Ų15866.3 Ų66.385%0.84536%0.359SS*.THydrogen-bonded Turntrans55.333.2-177.3-156.339000112.7M37 K38M37-D41 PolarHBondContact O-N 3.43Å; K38-D41 PolarHBondContact O-N 2.72Å; K38-D41 VanDerWaalsContact O-N 3.11Å
42L91Very high93.2Very high41 Ų4163 Ų6322%0.21534%0.335CS..  trans-89162.9174.1-63.5174.4000110.8M37 L40 S44 F69 F73 F74M37-L42 HydrophobicContact CB-CB 4.19Å; M37-L42 HydrophobicContact CE-CB 4.33Å; M37-L42 HydrophobicContact CG-CD1 4.35Å; M37-L42 PolarHBondContact O-N 2.79Å; L40-L42 HydrophobicContact CB-CD1 4Å; L40-L42 HydrophobicContact CB-CG 3.92Å; L40-L42 HydrophobicContact CD1-CD1 4.35Å; L40-L42 PolarHBondContact O-N 2.92Å; L42-S44 PolarHBondContact O-N 2.89Å; L42-F69 HydrophobicContact CD1-CZ 4.25Å; L42-F73 HydrophobicContact CD1-CB 4.07Å; L42-F73 HydrophobicContact CD1-CD1 3.79Å; L42-F73 HydrophobicContact CD1-CD2 4.35Å; L42-F73 HydrophobicContact CD1-CE1 4.35Å; L42-F73 HydrophobicContact CD1-CG 3.8Å; L42-F74 HydrophobicContact CD1-CE2 4.49Å; L42-F74 HydrophobicContact CD1-CZ 4.44Å; L42-F74 HydrophobicContact CD2-CZ 4.43Å
43V90.8Very high93.2Very high80 Ų8062.9 Ų62.949%0.48533%0.333SS..  trans-60112.8176.4178.20000110M37 Y48M37-V43 WeakPolarHBondContact CE-O 3.46Å; V43-Y48 HydrophobicContact CB-CD1 4.05Å; V43-Y48 HydrophobicContact CB-CE1 4.06Å; V43-Y48 HydrophobicContact CG1-CD1 3.88Å; V43-Y48 HydrophobicContact CG1-CE1 4.33Å; V43-Y48 HydrophobicContact CG1-CG 4.01Å; V43-Y48 WeakPolarHBondContact O-CD1 3.35Å
44S90.6Very high93.1Very high31 Ų3167.8 Ų67.822%0.21736%0.359CS..  trans-11832.1-17471.90000113.4K38 L42K38-S44 WeakPolarHBondContact CG-OG 3.45Å; L42-S44 PolarHBondContact O-N 2.89Å
45D93.5Very high93.1Very high99 Ų9969.7 Ų69.753%0.52937%0.366SS..  trans-68.2139.8176.3-66.1-47.4000110.5E47 Y48 I49D45-E47 PolarHBondContact O-N 3.16Å; D45-E47 VanDerWaalsContact O-N 3.09Å; D45-Y48 CarbonylContact O-C 3.59Å; D45-Y48 WeakPolarHBondContact O-CA 3.36Å; D45-Y48 WeakPolarHBondContact O-CB 3.32Å; D45-Y48 PolarHBondContact O-N 3.02Å; D45-I49 WeakPolarHBondContact O-CG1 3.35Å; D45-I49 PolarHBondContact O-N 2.93Å
46P90.3Very high93Very high99 Ų9967 Ų6764%0.64335%0.352SS*.Hα-helixtrans-54-37.4-175-28.234.4000114.4N50P46-N50 WeakPolarHBondContact O-CB 3.49Å; P46-N50 PolarHBondContact O-N 3.12Å
47E93.4Very high93Very high172 Ų17267.9 Ų67.980%0.80436%0.356SS*.Hα-helixtrans-67.9-39.8177.7-68.2162177.300111.7D45 L51D45-E47 PolarHBondContact O-N 3.16Å; D45-E47 VanDerWaalsContact O-N 3.09Å; E47-L51 PolarHBondContact O-N 2.95Å; E47-L51 VanDerWaalsContact O-N 3.12Å
48Y93.1Very high92.8Very high75 Ų7573.1 Ų73.129%0.29439%0.39SS..Hα-helixtrans-73-40.8177.5-173.5-101000111.8M37 V43 D45 N50 L51 M52 F73M37-Y48 HydrophobicContact CE-CD1 3.91Å; M37-Y48 HydrophobicContact CE-CE1 3.65Å; V43-Y48 HydrophobicContact CB-CD1 4.05Å; V43-Y48 HydrophobicContact CB-CE1 4.06Å; V43-Y48 HydrophobicContact CG1-CD1 3.88Å; V43-Y48 HydrophobicContact CG1-CE1 4.33Å; V43-Y48 HydrophobicContact CG1-CG 4.01Å; V43-Y48 WeakPolarHBondContact O-CD1 3.35Å; D45-Y48 CarbonylContact O-C 3.59Å; D45-Y48 WeakPolarHBondContact O-CA 3.36Å; D45-Y48 WeakPolarHBondContact O-CB 3.32Å; D45-Y48 PolarHBondContact O-N 3.02Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.84Å; Y48-L51 HydrophobicContact CD2-CD2 4.47Å; Y48-L51 WeakPolarHBondContact O-CB 3.29Å; Y48-L51 PolarHBondContact O-N 3.43Å; Y48-L51 VanDerWaalsContact O-N 3.17Å; Y48-M52 HydrophobicContact CD1-CG 3.95Å; Y48-M52 HydrophobicContact CD2-CE 4.37Å; Y48-M52 HydrophobicContact CE1-CE 4.24Å; Y48-M52 HydrophobicContact CE1-CG 3.64Å; Y48-M52 HydrophobicContact CE1-SD 4.25Å; Y48-M52 HydrophobicContact CE2-CE 3.61Å; Y48-M52 WeakPolarHBondContact O-CG 3.27Å; Y48-M52 PolarHBondContact O-N 3.27Å; Y48-F73 HydrophobicContact CE1-CE1 4.18Å
49I93.8Very high92.6Very high6 Ų675.9 Ų75.93%0.03141%0.405CS..Hα-helixtrans-56.7-47.7172.8-65.9-58.7000110.1E34 M37 D45 L51 M52 K53E34-I49 HydrophobicContact CB-CD1 4.28Å; E34-I49 HydrophobicContact CB-CG1 4.29Å; E34-I49 HydrophobicContact CB-CG2 4.35Å; E34-I49 HydrophobicContact CG-CD1 4.41Å; E34-I49 HydrophobicContact CG-CG1 4.2Å; M37-I49 HydrophobicContact CB-CD1 4.24Å; M37-I49 HydrophobicContact CE-CD1 3.83Å; M37-I49 HydrophobicContact CG-CD1 4.34Å; M37-I49 HydrophobicContact SD-CD1 3.29Å; M37-I49 WeakPolarHBondContact SD-CD1 3.39Å; D45-I49 WeakPolarHBondContact O-CG1 3.35Å; D45-I49 PolarHBondContact O-N 2.93Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 2.97Å; I49-M52 PolarHBondContact O-N 3.44Å; I49-M52 VanDerWaalsContact O-N 3.13Å; I49-K53 HydrophobicContact CG2-CD 4.32Å; I49-K53 HydrophobicContact CG2-CG 4.38Å; I49-K53 WeakPolarHBondContact O-CG 3.46Å; I49-K53 PolarHBondContact O-N 3.33Å
50N92.8Very high92.4Very high97 Ų9776.6 Ų76.652%0.51942%0.416SS..Hα-helixtrans-63.4-36.6179.3-166.657.2000112.3P46 Y48 N54P46-N50 WeakPolarHBondContact O-CB 3.49Å; P46-N50 PolarHBondContact O-N 3.12Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.84Å; N50-N54 PolarHBondContact O-N 3Å; N50-N54 PolarHBondContact O-ND2 3.49Å
51L94Very high92.3Very high99 Ų9980.9 Ų80.952%0.51844%0.439SS..Hα-helixtrans-62.1-46171.7179.667.9000111.6E47 Y48 I49 N54 K55E47-L51 PolarHBondContact O-N 2.95Å; E47-L51 VanDerWaalsContact O-N 3.12Å; Y48-L51 HydrophobicContact CD2-CD2 4.47Å; Y48-L51 WeakPolarHBondContact O-CB 3.29Å; Y48-L51 PolarHBondContact O-N 3.43Å; Y48-L51 VanDerWaalsContact O-N 3.17Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 2.97Å; L51-N54 PolarHBondContact O-N 3.12Å; L51-K55 PolarHBondContact O-N 2.88Å; L51-K55 VanDerWaalsContact O-N 3.09Å
52M94.1Very high92.4Very high8 Ų874.6 Ų74.64%0.03941%0.412CS..Hα-helixtrans-66.9-37.7-179.3-69.7-64.9125.100112.3L33 M37 Y48 I49 N54 K55 L56 E72 F73L33-M52 HydrophobicContact CD2-CB 4.16Å; M37-M52 HydrophobicContact CE-CG 4.43Å; Y48-M52 HydrophobicContact CD1-CG 3.95Å; Y48-M52 HydrophobicContact CD2-CE 4.37Å; Y48-M52 HydrophobicContact CE1-CE 4.24Å; Y48-M52 HydrophobicContact CE1-CG 3.64Å; Y48-M52 HydrophobicContact CE1-SD 4.25Å; Y48-M52 HydrophobicContact CE2-CE 3.61Å; Y48-M52 WeakPolarHBondContact O-CG 3.27Å; Y48-M52 PolarHBondContact O-N 3.27Å; I49-M52 PolarHBondContact O-N 3.44Å; I49-M52 VanDerWaalsContact O-N 3.13Å; M52-N54 PolarHBondContact O-N 3.38Å; M52-K55 HydrophobicContact CE-CD 4.46Å; M52-K55 PolarHBondContact O-N 2.93Å; M52-K55 VanDerWaalsContact O-N 3.15Å; M52-L56 HydrophobicContact CB-CD1 4.43Å; M52-L56 VanDerWaalsContact O-CB 3.31Å; M52-L56 WeakPolarHBondContact O-CB 3.49Å; M52-L56 VanDerWaalsContact O-CG 3.31Å; M52-L56 WeakPolarHBondContact O-CG 3.31Å; M52-L56 PolarHBondContact O-N 3.39Å; M52-E72 HydrophobicContact SD-CG 4.06Å; M52-F73 HydrophobicContact CB-CZ 4.33Å; M52-F73 HydrophobicContact CG-CE1 4.32Å; M52-F73 HydrophobicContact CG-CZ 3.83Å; M52-F73 HydrophobicContact SD-CE1 3.99Å; M52-F73 HydrophobicContact SD-CZ 3.69Å
53K94.1Very high92.6Very high45 Ų4575 Ų7520%0.19641%0.414CS..Hα-helixtrans-55.6-52172.2-73.1-178174.6-147.20111.6D30 L33 I49 K55 L56 D57D30-K53 HydrophobicContact CB-CD 4.37Å; D30-K53 HydrophobicContact CB-CG 4.48Å; D30-K53 WeakPolarHBondContact O-CE 3.48Å; D30-K53 PolarHBondContact O-NZ 2.84Å; D30-K53 WeakPolarHBondContact OD2-CD 3.46Å; D30-K53 IonicContact OD2-NZ 2.78Å; D30-K53 PolarHBondContact OD2-NZ 3.24Å; L33-K53 HydrophobicContact CD2-CG 3.66Å; I49-K53 HydrophobicContact CG2-CD 4.32Å; I49-K53 HydrophobicContact CG2-CG 4.38Å; I49-K53 WeakPolarHBondContact O-CG 3.46Å; I49-K53 PolarHBondContact O-N 3.33Å; K53-K55 PolarHBondContact O-N 3.36Å; K53-L56 PolarHBondContact O-N 2.84Å; K53-D57 WeakPolarHBondContact O-CB 3.35Å; K53-D57 PolarHBondContact O-N 3.26Å
54N93.2Very high92.7Very high102 Ų10271.2 Ų71.255%0.54539%0.391SS..Hα-helixtrans-63.4-29.3178.8-68.4-50000112.8N50 L51 M52N50-N54 PolarHBondContact O-N 3Å; N50-N54 PolarHBondContact O-ND2 3.49Å; L51-N54 PolarHBondContact O-N 3.12Å; M52-N54 PolarHBondContact O-N 3.38Å
55K93.6Very high92.8Very high111 Ų11173.7 Ų73.748%0.48340%0.401SS..Hα-helixtrans-78.8-41.9179.8-170.5173.3-177.7-175.80112.5L51 M52 K53 E72L51-K55 PolarHBondContact O-N 2.88Å; L51-K55 VanDerWaalsContact O-N 3.09Å; M52-K55 HydrophobicContact CE-CD 4.46Å; M52-K55 PolarHBondContact O-N 2.93Å; M52-K55 VanDerWaalsContact O-N 3.15Å; K53-K55 PolarHBondContact O-N 3.36Å; K55-E72 VanDerWaalsContact CE-CD 3.43Å; K55-E72 WeakPolarHBondContact CE-OE1 3.49Å; K55-E72 WeakPolarHBondContact CE-OE2 2.93Å; K55-E72 IonicContact NZ-OE1 2.97Å; K55-E72 PolarHBondContact NZ-OE1 3.21Å; K55-E72 IonicContact NZ-OE2 2.94Å; K55-E72 PolarHBondContact NZ-OE2 3.43Å
56L93.7Very high92.5Very high15 Ų1570.3 Ų70.38%0.07938%0.383CS..Hα-helixtrans-83.4-25.8-176.6-68.6170000112.8L33 M52 K53 P58 I64 P68 F69 E72 F73L33-L56 HydrophobicContact CD1-CD1 4.13Å; L33-L56 HydrophobicContact CD2-CD1 4.21Å; M52-L56 HydrophobicContact CB-CD1 4.43Å; M52-L56 VanDerWaalsContact O-CB 3.31Å; M52-L56 WeakPolarHBondContact O-CB 3.49Å; M52-L56 VanDerWaalsContact O-CG 3.31Å; M52-L56 WeakPolarHBondContact O-CG 3.31Å; M52-L56 PolarHBondContact O-N 3.39Å; K53-L56 PolarHBondContact O-N 2.84Å; L56-P58 VanDerWaalsContact C-CD 3.47Å; L56-I64 HydrophobicContact CB-CD1 3.83Å; L56-I64 HydrophobicContact CB-CG2 4.23Å; L56-I64 HydrophobicContact CD1-CG2 3.92Å; L56-P68 HydrophobicContact CD2-CB 4.07Å; L56-F69 HydrophobicContact CD1-CD2 4.25Å; L56-E72 HydrophobicContact CD2-CB 3.97Å; L56-E72 HydrophobicContact CD2-CG 4.36Å; L56-F73 HydrophobicContact CD1-CE2 4.05Å
57D94.3Very high92.3Very high19 Ų1967.8 Ų67.810%0.10237%0.374CS..  trans-126.469.8175.9-178.421.4000110.6K53 E59 G60 L61 G62 I63 I64K53-D57 WeakPolarHBondContact O-CB 3.35Å; K53-D57 PolarHBondContact O-N 3.26Å; D57-E59 PolarHBondContact O-N 3.15Å; D57-G60 PolarHBondContact O-N 3.09Å; D57-G60 VanDerWaalsContact O-N 3.16Å; D57-G60 PolarHBondContact OD1-N 3.21Å; D57-G60 VanDerWaalsContact OD2-C 3.28Å; D57-G60 WeakPolarHBondContact OD2-CA 3.31Å; D57-L61 VanDerWaalsContact CG-N 3.28Å; D57-L61 PolarHBondContact OD1-N 3.37Å; D57-L61 PolarHBondContact OD2-N 3.09Å; D57-G62 WeakPolarHBondContact OD2-CA 3.49Å; D57-G62 PolarHBondContact OD2-N 2.87Å; D57-I63 WeakPolarHBondContact CB-O 3.5Å; D57-I64 HydrophobicContact CB-CD1 4.18Å
58P89.7Confident92.1Very high110 Ų11061.9 Ų61.971%0.71435%0.351SS*.THydrogen-bonded Turntrans-66.3-18.6-18028.4-35.5000112.8L56L56-P58 VanDerWaalsContact C-CD 3.47Å
59E90.2Very high92.1Very high158 Ų15858.3 Ų58.374%0.73834%0.337SS*.THydrogen-bonded Turntrans-86.9-11.6178.7-63.5-169.1112.900112.6D57 L61D57-E59 PolarHBondContact O-N 3.15Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 HydrophobicContact CB-CD1 4.17Å; E59-L61 HydrophobicContact CB-CD2 4.44Å; E59-L61 HydrophobicContact CB-CG 3.85Å
60G90Very high91.9Very high62 Ų6259.4 Ų59.464%0.63934%0.343SS*.  trans66.134.5179.500000113D57 G62D57-G60 PolarHBondContact O-N 3.09Å; D57-G60 VanDerWaalsContact O-N 3.16Å; D57-G60 PolarHBondContact OD1-N 3.21Å; D57-G60 VanDerWaalsContact OD2-C 3.28Å; D57-G60 WeakPolarHBondContact OD2-CA 3.31Å; G60-G62 PolarHBondContact O-N 3.08Å
61L91.1Very high91.6Very high111 Ų11161.4 Ų61.458%0.58135%0.349SS*.  trans-73-13.8178.4-62.4175.5000112.8D57 E59 I63D57-L61 VanDerWaalsContact CG-N 3.28Å; D57-L61 PolarHBondContact OD1-N 3.37Å; D57-L61 PolarHBondContact OD2-N 3.09Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 HydrophobicContact CB-CD1 4.17Å; E59-L61 HydrophobicContact CB-CD2 4.44Å; E59-L61 HydrophobicContact CB-CG 3.85Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-I63 HydrophobicContact CB-CD1 4.35Å; L61-I63 HydrophobicContact CB-CG1 3.8Å; L61-I63 HydrophobicContact CD1-CD1 4.35Å; L61-I63 HydrophobicContact CD1-CG1 4.46Å
62G93.8Very high91.4Very high27 Ų2759.4 Ų59.428%0.27834%0.337SS..SBendtrans7718.9-17500000113.4D30 D57 G60D30-G62 PolarHBondContact N-O 2.78Å; D57-G62 WeakPolarHBondContact OD2-CA 3.49Å; D57-G62 PolarHBondContact OD2-N 2.87Å; G60-G62 PolarHBondContact O-N 3.08Å
63I94Very high91.2Very high50 Ų5060.5 Ų60.526%0.25634%0.342SS..EExtended strand (participates in β ladder)trans-128.7143-178.261.8172.7000111.2F27 I28 D57 L61F27-I63 HydrophobicContact CD2-CB 4.13Å; F27-I63 HydrophobicContact CD2-CG2 3.93Å; F27-I63 HydrophobicContact CE2-CG2 4.14Å; I28-I63 CarbonylContact O-C 3.55Å; I28-I63 WeakPolarHBondContact O-CA 3.49Å; D57-I63 WeakPolarHBondContact CB-O 3.5Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-I63 HydrophobicContact CB-CD1 4.35Å; L61-I63 HydrophobicContact CB-CG1 3.8Å; L61-I63 HydrophobicContact CD1-CD1 4.35Å; L61-I63 HydrophobicContact CD1-CG1 4.46Å
64I93.9Very high90.9Very high0 Ų059.8 Ų59.80%034%0.339CS..EExtended strand (participates in β ladder)trans-110.2123.6173.2-52.4-56.1000107.9F17 F27 I28 D30 L33 L56 D57 F69F17-I64 HydrophobicContact CE2-CG2 4.25Å; F17-I64 HydrophobicContact CZ-CG2 4.45Å; F17-I64 WeakPolarHBondContact CZ-O 3.45Å; F27-I64 CarbonylContact C-O 3.56Å; F27-I64 VanDerWaalsContact CA-O 3.22Å; F27-I64 WeakPolarHBondContact CA-O 3.44Å; F27-I64 WeakPolarHBondContact CB-O 3.15Å; I28-I64 HydrophobicContact CG1-CB 3.99Å; I28-I64 PolarHBondContact N-O 2.92Å; I28-I64 PolarHBondContact O-N 3.06Å; D30-I64 HydrophobicContact CB-CD1 4.28Å; D30-I64 HydrophobicContact CB-CG1 4.31Å; L33-I64 HydrophobicContact CB-CG1 4.31Å; L33-I64 HydrophobicContact CD1-CG1 4.41Å; L33-I64 HydrophobicContact CD1-CG2 4.32Å; L33-I64 HydrophobicContact CD2-CD1 4.32Å; L33-I64 HydrophobicContact CD2-CG1 4.38Å; L56-I64 HydrophobicContact CB-CD1 3.83Å; L56-I64 HydrophobicContact CB-CG2 4.23Å; L56-I64 HydrophobicContact CD1-CG2 3.92Å; D57-I64 HydrophobicContact CB-CD1 4.18Å; I64-F69 HydrophobicContact CG2-CB 4.19Å; I64-F69 HydrophobicContact CG2-CD2 4.43Å
65L91.6Very high90.1Very high82 Ų8258.8 Ų58.843%0.42934%0.338SS..EExtended strand (participates in β ladder)trans-84.8141176.7-63.3175.6000110.5F27 G67 P68 F69F27-L65 HydrophobicContact CB-CD2 3.84Å; L65-G67 VanDerWaalsContact C-N 3.34Å; L65-G67 PolarHBondContact O-N 3.48Å; L65-P68 VanDerWaalsContact CB-CD 3.48Å; L65-P68 HydrophobicContact CB-CG 3.82Å; L65-P68 HydrophobicContact CD1-CG 4.21Å; L65-F69 WeakPolarHBondContact O-CB 3.34Å; L65-F69 PolarHBondContact O-N 2.84Å; L65-F69 VanDerWaalsContact O-N 3.12Å
66L88.4Confident88.9Confident29 Ų2961.3 Ų61.315%0.15236%0.356CS..Hα-helixtrans-57.8-44178.4173.566.1000112.5R14 F17 G26 F69 L70R14-L66 HydrophobicContact CB-CD1 4.49Å; R14-L66 HydrophobicContact CG-CD1 4.26Å; R14-L66 HydrophobicContact CG-CD2 3.94Å; F17-L66 HydrophobicContact CB-CD1 3.78Å; F17-L66 HydrophobicContact CD1-CB 4.1Å; F17-L66 HydrophobicContact CD1-CD1 3.73Å; F17-L66 HydrophobicContact CD1-CG 4.45Å; F17-L66 HydrophobicContact CD2-CD1 4.11Å; F17-L66 HydrophobicContact CE1-CB 3.84Å; F17-L66 HydrophobicContact CE1-CD1 4.29Å; F17-L66 HydrophobicContact CG-CD1 3.62Å; F17-L66 HydrophobicContact CZ-CB 4.21Å; G26-L66 PolarHBondContact O-N 3.09Å; L66-F69 WeakPolarHBondContact O-CB 3.37Å; L66-F69 PolarHBondContact O-N 3.4Å; L66-L70 HydrophobicContact CD1-CD1 3.82Å; L66-L70 HydrophobicContact CD1-CD2 4.42Å; L66-L70 HydrophobicContact CD1-CG 3.89Å; L66-L70 HydrophobicContact CG-CD1 4Å; L66-L70 HydrophobicContact CG-CG 4.38Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 2.92Å
67G86.7Confident87.5Confident45 Ų4563.5 Ų63.546%0.46437%0.366SS..Hα-helixtrans-59.5-59.8-177.400000113.1L65 F69 L70 Q71L65-G67 VanDerWaalsContact C-N 3.34Å; L65-G67 PolarHBondContact O-N 3.48Å; G67-F69 VanDerWaalsContact C-N 3.28Å; G67-F69 PolarHBondContact O-N 2.96Å; G67-L70 PolarHBondContact O-N 3.27Å; G67-Q71 WeakPolarHBondContact O-CB 3Å; G67-Q71 PolarHBondContact O-N 2.96Å
68P88.8Confident85.5Confident48 Ų4865.6 Ų65.631%0.31239%0.392SS..Hα-helixtrans-54.2-39.8173.2-29.437.1000113.8L56 L65 Q71 E72L56-P68 HydrophobicContact CD2-CB 4.07Å; L65-P68 VanDerWaalsContact CB-CD 3.48Å; L65-P68 HydrophobicContact CB-CG 3.82Å; L65-P68 HydrophobicContact CD1-CG 4.21Å; P68-Q71 PolarHBondContact O-N 2.79Å; P68-E72 WeakPolarHBondContact O-CB 3.4Å; P68-E72 PolarHBondContact O-N 3.42Å
69F92.3Very high83.7Confident0 Ų062.8 Ų62.80%038%0.376CS..Hα-helixtrans-59.7-51.6175.7175.7-90.3000111.8A13 F17 L33 V36 M37 L40 L42 L56 I64 L65 L66 G67 Q71 E72 F73 F74A13-F69 HydrophobicContact CB-CE1 4.48Å; F17-F69 HydrophobicContact CD2-CB 4.44Å; F17-F69 AromaticContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD2 4.41Å; F17-F69 HydrophobicContact CD2-CE1 4.1Å; F17-F69 AromaticContact CD2-CG 3.94Å; F17-F69 HydrophobicContact CD2-CG 3.94Å; F17-F69 HydrophobicContact CE2-CB 3.96Å; F17-F69 HydrophobicContact CE2-CD1 4.11Å; F17-F69 HydrophobicContact CE2-CD2 4.2Å; F17-F69 AromaticContact CE2-CG 3.82Å; F17-F69 HydrophobicContact CE2-CG 3.82Å; L33-F69 HydrophobicContact CD1-CD2 3.91Å; L33-F69 HydrophobicContact CD1-CE2 3.86Å; V36-F69 HydrophobicContact CG1-CE1 4.3Å; V36-F69 HydrophobicContact CG1-CE2 4.08Å; V36-F69 HydrophobicContact CG1-CZ 3.71Å; M37-F69 HydrophobicContact CG-CE2 4.17Å; L40-F69 HydrophobicContact CD1-CE1 3.81Å; L40-F69 HydrophobicContact CD1-CZ 3.68Å; L42-F69 HydrophobicContact CD1-CZ 4.25Å; L56-F69 HydrophobicContact CD1-CD2 4.25Å; I64-F69 HydrophobicContact CG2-CB 4.19Å; I64-F69 HydrophobicContact CG2-CD2 4.43Å; L65-F69 WeakPolarHBondContact O-CB 3.34Å; L65-F69 PolarHBondContact O-N 2.84Å; L65-F69 VanDerWaalsContact O-N 3.12Å; L66-F69 WeakPolarHBondContact O-CB 3.37Å; L66-F69 PolarHBondContact O-N 3.4Å; G67-F69 VanDerWaalsContact C-N 3.28Å; G67-F69 PolarHBondContact O-N 2.96Å; F69-Q71 VanDerWaalsContact C-N 3.31Å; F69-Q71 PolarHBondContact O-N 2.64Å; F69-E72 PolarHBondContact O-N 3.23Å; F69-F73 HydrophobicContact CD1-CD2 4.38Å; F69-F73 AromaticContact CD2-CD2 3.54Å; F69-F73 HydrophobicContact CD2-CD2 3.54Å; F69-F73 AromaticContact CD2-CE2 3.46Å; F69-F73 HydrophobicContact CD2-CE2 3.46Å; F69-F73 VanDerWaalsContact CD2-CE2 3.46Å; F69-F73 HydrophobicContact CE1-CD2 4.25Å; F69-F73 AromaticContact CE2-CD2 3.37Å; F69-F73 HydrophobicContact CE2-CD2 3.37Å; F69-F73 AromaticContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CG 4.45Å; F69-F73 HydrophobicContact CE2-CZ 4.38Å; F69-F73 HydrophobicContact CG-CD2 4.04Å; F69-F73 HydrophobicContact CG-CE2 4.35Å; F69-F73 AromaticContact CZ-CD2 3.74Å; F69-F73 HydrophobicContact CZ-CD2 3.74Å; F69-F73 HydrophobicContact CZ-CE2 4.13Å; F69-F73 VanDerWaalsContact O-CD2 3.27Å; F69-F73 WeakPolarHBondContact O-CD2 3.38Å; F69-F73 PolarHBondContact O-N 3.18Å; F69-F73 VanDerWaalsContact O-N 3.09Å; F69-F74 HydrophobicContact CE1-CE2 4.42Å
70L89.1Confident81.7Confident30 Ų3058.5 Ų58.516%0.15736%0.363CS..Hα-helixtrans-63.2-38.8178.8-69.6177.9000111.9A13 R14 L66 G67 E72 F74A13-L70 HydrophobicContact CB-CD2 3.59Å; R14-L70 HydrophobicContact CB-CD1 4.34Å; L66-L70 HydrophobicContact CD1-CD1 3.82Å; L66-L70 HydrophobicContact CD1-CD2 4.42Å; L66-L70 HydrophobicContact CD1-CG 3.89Å; L66-L70 HydrophobicContact CG-CD1 4Å; L66-L70 HydrophobicContact CG-CG 4.38Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 2.92Å; G67-L70 PolarHBondContact O-N 3.27Å; L70-E72 VanDerWaalsContact C-N 3.33Å; L70-E72 PolarHBondContact O-N 3.34Å; L70-F74 HydrophobicContact CD2-CD2 4.13Å; L70-F74 CarbonylContact O-C 3.57Å; L70-F74 VanDerWaalsContact O-C 3.24Å; L70-F74 VanDerWaalsContact O-CA 3.24Å; L70-F74 WeakPolarHBondContact O-CA 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.47Å; L70-F74 PolarHBondContact O-N 3.36Å
71Q86.1Confident80Confident138 Ų13858 Ų5865%0.64536%0.358SS*.Hα-helixtrans-65.2-36.7177.8-172.6175.814.600112.4G67 P68 F69 P75G67-Q71 WeakPolarHBondContact O-CB 3Å; G67-Q71 PolarHBondContact O-N 2.96Å; P68-Q71 PolarHBondContact O-N 2.79Å; F69-Q71 VanDerWaalsContact C-N 3.31Å; F69-Q71 PolarHBondContact O-N 2.64Å; Q71-P75 WeakPolarHBondContact O-CA 3.4Å; Q71-P75 WeakPolarHBondContact O-CB 3.33Å
72E90.2Very high78.1Confident57 Ų5756.8 Ų56.827%0.26636%0.356SS..Hα-helixtrans-74.3-46-178.5-177.359.4-153.900112.3M52 K55 L56 P68 F69 L70M52-E72 HydrophobicContact SD-CG 4.06Å; K55-E72 VanDerWaalsContact CE-CD 3.43Å; K55-E72 WeakPolarHBondContact CE-OE1 3.49Å; K55-E72 WeakPolarHBondContact CE-OE2 2.93Å; K55-E72 IonicContact NZ-OE1 2.97Å; K55-E72 PolarHBondContact NZ-OE1 3.21Å; K55-E72 IonicContact NZ-OE2 2.94Å; K55-E72 PolarHBondContact NZ-OE2 3.43Å; L56-E72 HydrophobicContact CD2-CB 3.97Å; L56-E72 HydrophobicContact CD2-CG 4.36Å; P68-E72 WeakPolarHBondContact O-CB 3.4Å; P68-E72 PolarHBondContact O-N 3.42Å; F69-E72 PolarHBondContact O-N 3.23Å; L70-E72 VanDerWaalsContact C-N 3.33Å; L70-E72 PolarHBondContact O-N 3.34Å
73F89.9Confident76.9Confident31 Ų3160.8 Ų60.814%0.13637%0.368CS..Hα-helixtrans-92.1-22.8-175.1-65.8-70.3000113.9M37 L42 Y48 M52 L56 F69 P75M37-F73 HydrophobicContact CE-CE1 3.54Å; M37-F73 HydrophobicContact CE-CE2 4.49Å; M37-F73 HydrophobicContact CE-CZ 3.46Å; M37-F73 VanDerWaalsContact CE-CZ 3.46Å; M37-F73 HydrophobicContact CG-CZ 4.42Å; M37-F73 HydrophobicContact SD-CE1 4.38Å; M37-F73 HydrophobicContact SD-CE2 4.33Å; M37-F73 HydrophobicContact SD-CZ 3.72Å; L42-F73 HydrophobicContact CD1-CB 4.07Å; L42-F73 HydrophobicContact CD1-CD1 3.79Å; L42-F73 HydrophobicContact CD1-CD2 4.35Å; L42-F73 HydrophobicContact CD1-CE1 4.35Å; L42-F73 HydrophobicContact CD1-CG 3.8Å; Y48-F73 HydrophobicContact CE1-CE1 4.18Å; M52-F73 HydrophobicContact CB-CZ 4.33Å; M52-F73 HydrophobicContact CG-CE1 4.32Å; M52-F73 HydrophobicContact CG-CZ 3.83Å; M52-F73 HydrophobicContact SD-CE1 3.99Å; M52-F73 HydrophobicContact SD-CZ 3.69Å; L56-F73 HydrophobicContact CD1-CE2 4.05Å; F69-F73 HydrophobicContact CD1-CD2 4.38Å; F69-F73 AromaticContact CD2-CD2 3.54Å; F69-F73 HydrophobicContact CD2-CD2 3.54Å; F69-F73 AromaticContact CD2-CE2 3.46Å; F69-F73 HydrophobicContact CD2-CE2 3.46Å; F69-F73 VanDerWaalsContact CD2-CE2 3.46Å; F69-F73 HydrophobicContact CE1-CD2 4.25Å; F69-F73 AromaticContact CE2-CD2 3.37Å; F69-F73 HydrophobicContact CE2-CD2 3.37Å; F69-F73 AromaticContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CG 4.45Å; F69-F73 HydrophobicContact CE2-CZ 4.38Å; F69-F73 HydrophobicContact CG-CD2 4.04Å; F69-F73 HydrophobicContact CG-CE2 4.35Å; F69-F73 AromaticContact CZ-CD2 3.74Å; F69-F73 HydrophobicContact CZ-CD2 3.74Å; F69-F73 HydrophobicContact CZ-CE2 4.13Å; F69-F73 VanDerWaalsContact O-CD2 3.27Å; F69-F73 WeakPolarHBondContact O-CD2 3.38Å; F69-F73 PolarHBondContact O-N 3.18Å; F69-F73 VanDerWaalsContact O-N 3.09Å; F73-P75 VanDerWaalsContact C-CD 3.41Å
74F87.6Confident76.4Confident31 Ų3162.4 Ų62.414%0.13638%0.383CS..  trans-132.254.9-178.3-52.4-85.6000111.3P9 A13 L42 F69 L70 D76 Q77 G78P9-F74 HydrophobicContact CB-CD1 3.87Å; P9-F74 HydrophobicContact CB-CE1 3.86Å; A13-F74 HydrophobicContact CB-CD2 3.83Å; A13-F74 HydrophobicContact CB-CE1 4.48Å; A13-F74 HydrophobicContact CB-CE2 3.25Å; A13-F74 HydrophobicContact CB-CZ 3.64Å; L42-F74 HydrophobicContact CD1-CE2 4.49Å; L42-F74 HydrophobicContact CD1-CZ 4.44Å; L42-F74 HydrophobicContact CD2-CZ 4.43Å; F69-F74 HydrophobicContact CE1-CE2 4.42Å; L70-F74 HydrophobicContact CD2-CD2 4.13Å; L70-F74 CarbonylContact O-C 3.57Å; L70-F74 VanDerWaalsContact O-C 3.24Å; L70-F74 VanDerWaalsContact O-CA 3.24Å; L70-F74 WeakPolarHBondContact O-CA 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.47Å; L70-F74 PolarHBondContact O-N 3.36Å; F74-D76 VanDerWaalsContact C-N 3.29Å; F74-D76 PolarHBondContact O-N 3.31Å; F74-Q77 HydrophobicContact CB-CB 4.3Å; F74-Q77 CarbonylContact O-C 3.55Å; F74-Q77 PolarHBondContact O-N 3.35Å; F74-G78 PolarHBondContact O-N 3.18Å
75P78.1Confident76.1Confident81 Ų8165.4 Ų65.453%0.52640%0.397SS..G310 helixtrans-60.7-36.6-173.524-34.3000113Q71 F73 Q77 G78Q71-P75 WeakPolarHBondContact O-CA 3.4Å; Q71-P75 WeakPolarHBondContact O-CB 3.33Å; F73-P75 VanDerWaalsContact C-CD 3.41Å; P75-Q77 PolarHBondContact O-N 3.12Å; P75-G78 PolarHBondContact O-N 3.27Å
76D68.3Low76Confident163 Ų16365 Ų6587%0.87240%0.398SS*.G310 helixtrans-72-4.9178-64.4-52.6000113.4F74F74-D76 VanDerWaalsContact C-N 3.29Å; F74-D76 PolarHBondContact O-N 3.31Å
77Q64Low76.1Confident61 Ų6164.7 Ų64.729%0.28540%0.397SS..G310 helixtrans-122.410.8-179.7-52.5-160.10.400112.8P9 S10 F74 P75 S79P9-Q77 VanDerWaalsContact CD-NE2 3.34Å; P9-Q77 VanDerWaalsContact CD-OE1 3.28Å; S10-Q77 WeakPolarHBondContact OG-CB 3.21Å; S10-Q77 PolarHBondContact OG-OE1 3.18Å; F74-Q77 HydrophobicContact CB-CB 4.3Å; F74-Q77 CarbonylContact O-C 3.55Å; F74-Q77 PolarHBondContact O-N 3.35Å; P75-Q77 PolarHBondContact O-N 3.12Å; Q77-S79 CarbonylContact O-C 3.56Å; Q77-S79 PolarHBondContact O-N 2.95Å; Q77-S79 VanDerWaalsContact O-N 3.12Å
78G52.4Low76.2Confident63 Ų6369 Ų6965%0.64940%0.4SS*.SBendtrans-705.1174.600000114.9F74 P75F74-G78 PolarHBondContact O-N 3.18Å; P75-G78 PolarHBondContact O-N 3.27Å
79S51.3Low76.2Confident52 Ų5268 Ų6836%0.36439%0.391SS..SBendtrans-124.8109.7159.1-175.30000104.6Q77 G81Q77-S79 CarbonylContact O-C 3.56Å; Q77-S79 PolarHBondContact O-N 2.95Å; Q77-S79 VanDerWaalsContact O-N 3.12Å; S79-G81 PolarHBondContact O-N 2.81Å
80S48.8Very low76Confident67 Ų6774 Ų7447%0.46942%0.415SS..  trans-44119.5158.21780000105.1
81G53.1Low75.8Confident52 Ų5273 Ų7354%0.53641%0.41SS..THydrogen-bonded Turntrans-46.4155.9-179.500000110S79 E83S79-G81 PolarHBondContact O-N 2.81Å; G81-E83 PolarHBondContact O-N 2.91Å
82P52.7Low75.5Confident85 Ų8568.1 Ų68.155%0.55240%0.396SS*.THydrogen-bonded Turntrans-27.199-158.25.1-24.1000113.4S84 V110 V111P82-S84 VanDerWaalsContact C-N 3.28Å; P82-S84 PolarHBondContact O-N 3.33Å; P82-V110 HydrophobicContact CB-CG1 3.39Å; P82-V111 VanDerWaalsContact CA-O 3.25Å; P82-V111 WeakPolarHBondContact CA-O 3.48Å
83E67.8Low74.9Confident112 Ų11269 Ų6952%0.52340%0.402SS..EExtended strand (participates in β ladder)trans-66.4101.4175.8-96.7-160.3156.200105.5G81 V111G81-E83 PolarHBondContact O-N 2.91Å; E83-V111 HydrophobicContact CB-CB 4.31Å; E83-V111 PolarHBondContact N-O 3.31Å; E83-V111 PolarHBondContact O-N 2.96Å
84S83.9Confident74.1Confident83 Ų8377.2 Ų77.258%0.5844%0.438SS*.EExtended strand (participates in β ladder)trans-96.4132.9176.167.50000109.4P82 A109P82-S84 VanDerWaalsContact C-N 3.28Å; P82-S84 PolarHBondContact O-N 3.33Å; S84-A109 CarbonylContact C-O 3.24Å; S84-A109 WeakPolarHBondContact CA-O 3.34Å; S84-A109 WeakPolarHBondContact CB-O 3.41Å
85F87.4Confident73.4Confident64 Ų6479.8 Ų79.828%0.28145%0.451SS..EExtended strand (participates in β ladder)trans-139.3149.7175.960-91000110.3V87 A109 V111 W134 I137F85-V87 HydrophobicContact CD2-CG2 3.75Å; F85-V87 HydrophobicContact CE2-CG2 3.51Å; F85-A109 HydrophobicContact CD1-CB 3.98Å; F85-A109 HydrophobicContact CD2-CB 3.86Å; F85-A109 HydrophobicContact CE1-CB 3.68Å; F85-A109 HydrophobicContact CE2-CB 3.56Å; F85-A109 HydrophobicContact CG-CB 4.07Å; F85-A109 HydrophobicContact CZ-CB 3.47Å; F85-A109 VanDerWaalsContact CZ-CB 3.47Å; F85-A109 PolarHBondContact N-O 3.29Å; F85-A109 PolarHBondContact O-N 3.05Å; F85-V111 HydrophobicContact CE1-CG2 3.85Å; F85-W134 HydrophobicContact CE1-CH2 4.31Å; F85-W134 HydrophobicContact CE1-CZ2 4.17Å; F85-W134 HydrophobicContact CE2-CH2 4.42Å; F85-W134 HydrophobicContact CZ-CE3 4.21Å; F85-W134 AromaticContact CZ-CH2 3.75Å; F85-W134 HydrophobicContact CZ-CH2 3.75Å; F85-W134 HydrophobicContact CZ-CZ2 4.08Å; F85-W134 AromaticContact CZ-CZ3 3.84Å; F85-W134 HydrophobicContact CZ-CZ3 3.84Å; F85-I137 HydrophobicContact CE1-CD1 4.22Å; F85-I137 HydrophobicContact CZ-CD1 3.87Å
86T89.8Confident72.9Confident74 Ų7476.6 Ų76.645%0.45443%0.43SS..EExtended strand (participates in β ladder)trans-74.5130.4177.3-51.70000109.9Y88 E106T86-Y88 HydrophobicContact CG2-CD2 4.24Å; T86-Y88 HydrophobicContact CG2-CE1 4.22Å; T86-Y88 HydrophobicContact CG2-CE2 3.57Å; T86-E106 HydrophobicContact CG2-CG 3.53Å; T86-E106 WeakPolarHBondContact CG2-OE1 3.39Å
87V89.7Confident73.3Confident22 Ų2270.4 Ų70.413%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-112.4134.5174.3-175.90000108.7F85 E106 G107 A109 L139 W141F85-V87 HydrophobicContact CD2-CG2 3.75Å; F85-V87 HydrophobicContact CE2-CG2 3.51Å; V87-E106 CarbonylContact O-C 3.6Å; V87-E106 WeakPolarHBondContact O-CA 3.43Å; V87-G107 PolarHBondContact N-O 3.09Å; V87-G107 PolarHBondContact O-N 2.85Å; V87-A109 HydrophobicContact CG2-CB 3.6Å; V87-L139 HydrophobicContact CG2-CD2 4.28Å; V87-W141 HydrophobicContact CB-CH2 4.36Å; V87-W141 HydrophobicContact CG1-CH2 3.78Å; V87-W141 HydrophobicContact CG1-CZ3 4.31Å
88Y89.4Confident73.7Confident136 Ų13674.7 Ų74.753%0.53341%0.411SS..EExtended strand (participates in β ladder)trans-113.2122.6172.7-67.3-76.7000110.1T86 V105 E106T86-Y88 HydrophobicContact CG2-CD2 4.24Å; T86-Y88 HydrophobicContact CG2-CE1 4.22Å; T86-Y88 HydrophobicContact CG2-CE2 3.57Å; Y88-V105 CarbonylContact C-O 3.55Å; Y88-V105 WeakPolarHBondContact CA-O 3.45Å; Y88-E106 HydrophobicContact CD1-CB 4.07Å; Y88-E106 HydrophobicContact CD1-CG 4.23Å; Y88-E106 HydrophobicContact CE1-CB 3.76Å; Y88-E106 HydrophobicContact CE1-CG 3.63Å; Y88-E106 WeakPolarHBondContact CE1-OE2 3.35Å; Y88-E106 PolarHBondContact OH-OE2 3.48Å
89H88.6Confident74.9Confident26 Ų2677.8 Ų77.812%0.1241%0.413CS..EExtended strand (participates in β ladder)trans-96124.2169.9173.3-89.6000110.6Y104 V105 W141 P147 S148H89-Y104 CarbonylContact O-C 3.59Å; H89-Y104 WeakPolarHBondContact O-CA 3.42Å; H89-V105 HydrophobicContact CB-CB 4.43Å; H89-V105 PolarHBondContact N-O 3.25Å; H89-V105 PolarHBondContact O-N 3.01Å; H89-W141 HydrophobicContact CB-CH2 3.77Å; H89-W141 HydrophobicContact CB-CZ3 3.77Å; H89-P147 HydrophobicContact CB-CB 3.92Å; H89-P147 HydrophobicContact CB-CG 3.92Å; H89-P147 VanDerWaalsContact ND1-CB 3.33Å; H89-P147 WeakPolarHBondContact ND1-CB 3.36Å; H89-S148 PolarHBondContact NE2-O 2.66Å; H89-S148 VanDerWaalsContact NE2-O 3.09Å
90Y88Confident76.3Confident126 Ų12684 Ų8449%0.49444%0.437SS..EExtended strand (participates in β ladder)trans-88.8115.9174.3173.5-108.7000110.8G92 V102 Y104Y90-G92 VanDerWaalsContact C-N 3.26Å; Y90-G92 VanDerWaalsContact CE1-CA 3.46Å; Y90-G92 PolarHBondContact O-N 2.91Å; Y90-G92 VanDerWaalsContact O-N 3.14Å; Y90-V102 HydrophobicContact CD2-CG1 4.03Å; Y90-V102 HydrophobicContact CE2-CG1 3.18Å; Y90-Y104 HydrophobicContact CD2-CD1 4.29Å; Y90-Y104 AromaticContact CD2-CE1 3.7Å; Y90-Y104 HydrophobicContact CD2-CE1 3.7Å; Y90-Y104 AromaticContact CD2-CZ 3.85Å; Y90-Y104 HydrophobicContact CG-CE1 4.21Å
91N85.2Confident77.9Confident10 Ų1087.4 Ų87.45%0.05344%0.443CS..  trans-84.827.4-173.680.4-20.6000115.2L93 S96 K101 V102 M103N91-L93 PolarHBondContact O-N 2.86Å; N91-S96 PolarHBondContact ND2-O 2.96Å; N91-K101 PolarHBondContact ND2-O 2.83Å; N91-V102 VanDerWaalsContact OD1-CA 3.29Å; N91-V102 WeakPolarHBondContact OD1-CA 3.37Å; N91-M103 PolarHBondContact N-O 3.14Å; N91-M103 PolarHBondContact OD1-N 2.85Å; N91-M103 PolarHBondContact OD1-O 3.5Å
92G79.4Confident79.3Confident35 Ų3588.6 Ų88.636%0.36144%0.44SS..  trans-65.8-8.2-172.500000115.9Y90Y90-G92 VanDerWaalsContact C-N 3.26Å; Y90-G92 VanDerWaalsContact CE1-CA 3.46Å; Y90-G92 PolarHBondContact O-N 2.91Å; Y90-G92 VanDerWaalsContact O-N 3.14Å
93L76.9Confident80.9Confident75 Ų7588.5 Ų88.539%0.39343%0.433SS..SBendtrans-83.6138.3174.8-63.5168.1000110.1N91 Q95 S96 N97 N150N91-L93 PolarHBondContact O-N 2.86Å; L93-Q95 HydrophobicContact CB-CG 4.09Å; L93-Q95 PolarHBondContact O-N 2.89Å; L93-Q95 VanDerWaalsContact O-N 3.09Å; L93-S96 PolarHBondContact O-N 3.17Å; L93-N97 PolarHBondContact O-N 3.1Å; L93-N97 VanDerWaalsContact O-N 3.1Å; L93-N150 WeakPolarHBondContact CD1-OXT 3.07Å
94K73.1Confident81.7Confident204 Ų20490.9 Ų90.989%0.88744%0.438SS*.G310 helixtrans-52.3-38.1-177.1-76.4-173.6177-177.70113.1S96 N97K94-S96 PolarHBondContact O-N 3Å; K94-N97 PolarHBondContact O-N 3Å
95Q73Confident81.9Confident85 Ų8588 Ų8840%0.39742%0.417SS..G310 helixtrans-68-20.8179.955.7166.122.800114.4L93 Y98 S148 N150L93-Q95 HydrophobicContact CB-CG 4.09Å; L93-Q95 PolarHBondContact O-N 2.89Å; L93-Q95 VanDerWaalsContact O-N 3.09Å; Q95-Y98 WeakPolarHBondContact O-CE1 3.25Å; Q95-Y98 PolarHBondContact O-OH 3.26Å; Q95-S148 PolarHBondContact NE2-OG 3.16Å; Q95-N150 PolarHBondContact NE2-O 2.93Å; Q95-N150 PolarHBondContact NE2-OXT 2.8Å
96S68.1Low82.1Confident13 Ų1388.9 Ų88.99%0.09142%0.422CS..G310 helixtrans-104-8.3178.5-31.60000112N91 L93 K94 Y98 S148N91-S96 PolarHBondContact ND2-O 2.96Å; L93-S96 PolarHBondContact O-N 3.17Å; K94-S96 PolarHBondContact O-N 3Å; S96-Y98 PolarHBondContact O-N 2.79Å; S96-S148 PolarHBondContact OG-OG 2.7Å
97N77.3Confident82.2Confident34 Ų3485.4 Ų85.418%0.18240%0.401CS..  trans-100.160-175.5-169.310.2000112.6L93 K94 N99 E100 K101L93-N97 PolarHBondContact O-N 3.1Å; L93-N97 VanDerWaalsContact O-N 3.1Å; K94-N97 PolarHBondContact O-N 3Å; N97-N99 PolarHBondContact O-N 2.84Å; N97-E100 PolarHBondContact O-N 2.94Å; N97-E100 VanDerWaalsContact OD1-C 3.28Å; N97-E100 WeakPolarHBondContact OD1-CA 3.4Å; N97-E100 PolarHBondContact OD1-N 2.95Å; N97-K101 PolarHBondContact OD1-N 3.23Å; N97-K101 PolarHBondContact OD1-O 3.14Å
98Y71.3Confident82.3Confident150 Ų15087.3 Ų87.359%0.58841%0.412SS*.THydrogen-bonded Turntrans-63.8-25.5-174.4-58.9-72.5000114.7Q95 S96Q95-Y98 WeakPolarHBondContact O-CE1 3.25Å; Q95-Y98 PolarHBondContact O-OH 3.26Å; S96-Y98 PolarHBondContact O-N 2.79Å
99N78.2Confident82.4Confident129 Ų12980.8 Ų80.869%0.6939%0.387SS*.THydrogen-bonded Turntrans-101.713.9-179-72.315000112.7N97 K101N97-N99 PolarHBondContact O-N 2.84Å; N99-K101 PolarHBondContact O-N 2.87Å
100E79.7Confident82.4Confident182 Ų18281.3 Ų81.385%0.8539%0.392SS*.SBendtrans53.119.6-175.6-57-172152.500114.1N97N97-E100 PolarHBondContact O-N 2.94Å; N97-E100 VanDerWaalsContact OD1-C 3.28Å; N97-E100 WeakPolarHBondContact OD1-CA 3.4Å; N97-E100 PolarHBondContact OD1-N 2.95Å
101K82.4Confident82.3Confident138 Ų13876.3 Ų76.360%0.637%0.374SS*.SBendtrans-124.1123.8179.8-169.6179.1-179.1-176.20110.2N91 N97 N99 M103N91-K101 PolarHBondContact ND2-O 2.83Å; N97-K101 PolarHBondContact OD1-N 3.23Å; N97-K101 PolarHBondContact OD1-O 3.14Å; N99-K101 PolarHBondContact O-N 2.87Å; K101-M103 HydrophobicContact CB-CG 4.49Å; K101-M103 HydrophobicContact CD-CG 4.39Å; K101-M103 HydrophobicContact CD-SD 4.32Å; K101-M103 HydrophobicContact CG-CG 4.15Å; K101-M103 PolarHBondContact O-N 3.48Å
102V84.4Confident82Confident77 Ų7776.7 Ų76.747%0.46738%0.376SS..  trans-66.8124.2172.8178.80000109.4Y90 N91Y90-V102 HydrophobicContact CD2-CG1 4.03Å; Y90-V102 HydrophobicContact CE2-CG1 3.18Å; N91-V102 VanDerWaalsContact OD1-CA 3.29Å; N91-V102 WeakPolarHBondContact OD1-CA 3.37Å
103M84.7Confident81.6Confident83 Ų8376.9 Ų76.941%0.40938%0.378SS..  trans-143.8153.5-178.2-58.8-162.9-55.400110N91 K101N91-M103 PolarHBondContact N-O 3.14Å; N91-M103 PolarHBondContact OD1-N 2.85Å; N91-M103 PolarHBondContact OD1-O 3.5Å; K101-M103 HydrophobicContact CB-CG 4.49Å; K101-M103 HydrophobicContact CD-CG 4.39Å; K101-M103 HydrophobicContact CD-SD 4.32Å; K101-M103 HydrophobicContact CG-CG 4.15Å; K101-M103 PolarHBondContact O-N 3.48Å
104Y85.8Confident81.5Confident162 Ų16279.7 Ų79.764%0.63539%0.387SS*.EExtended strand (participates in β ladder)trans-91.6135.4164.8-65.3-83.5000108.8H89 Y90H89-Y104 CarbonylContact O-C 3.59Å; H89-Y104 WeakPolarHBondContact O-CA 3.42Å; Y90-Y104 HydrophobicContact CD2-CD1 4.29Å; Y90-Y104 AromaticContact CD2-CE1 3.7Å; Y90-Y104 HydrophobicContact CD2-CE1 3.7Å; Y90-Y104 AromaticContact CD2-CZ 3.85Å; Y90-Y104 HydrophobicContact CG-CE1 4.21Å
105V88.3Confident81.5Confident24 Ų2476.6 Ų76.615%0.14538%0.376CS..EExtended strand (participates in β ladder)trans-104.2123.7169.8176.40000107.9Y88 H89 W141 T143 P147Y88-V105 CarbonylContact C-O 3.55Å; Y88-V105 WeakPolarHBondContact CA-O 3.45Å; H89-V105 HydrophobicContact CB-CB 4.43Å; H89-V105 PolarHBondContact N-O 3.25Å; H89-V105 PolarHBondContact O-N 3.01Å; V105-W141 HydrophobicContact CG1-CE3 3.97Å; V105-T143 HydrophobicContact CG1-CG2 3.6Å; V105-T143 HydrophobicContact CG2-CG2 4.36Å; V105-P147 HydrophobicContact CG1-CG 4.44Å
106E90.9Very high81.6Confident82 Ų8274.5 Ų74.538%0.38337%0.367SS..EExtended strand (participates in β ladder)trans-85.3141.9177.1-169.6170.115500110.6T86 V87 Y88 T142T86-E106 HydrophobicContact CG2-CG 3.53Å; T86-E106 WeakPolarHBondContact CG2-OE1 3.39Å; V87-E106 CarbonylContact O-C 3.6Å; V87-E106 WeakPolarHBondContact O-CA 3.43Å; Y88-E106 HydrophobicContact CD1-CB 4.07Å; Y88-E106 HydrophobicContact CD1-CG 4.23Å; Y88-E106 HydrophobicContact CE1-CB 3.76Å; Y88-E106 HydrophobicContact CE1-CG 3.63Å; Y88-E106 WeakPolarHBondContact CE1-OE2 3.35Å; Y88-E106 PolarHBondContact OH-OE2 3.48Å; E106-T142 HydrophobicContact CB-CG2 4.25Å; E106-T142 WeakPolarHBondContact O-CB 3.45Å; E106-T142 WeakPolarHBondContact O-CG2 3.36Å; E106-T142 PolarHBondContact O-N 3.25Å; E106-T142 PolarHBondContact O-OG1 3.44Å
107G91.7Very high82Confident0 Ų078.9 Ų78.90%040%0.396CS..EExtended strand (participates in β ladder)trans-143.1164171.400000111.2V87 L140V87-G107 PolarHBondContact N-O 3.09Å; V87-G107 PolarHBondContact O-N 2.85Å; G107-L140 CarbonylContact C-O 3.59Å; G107-L140 WeakPolarHBondContact CA-O 3.12Å
108T91.4Very high82.1Confident62 Ų6285.6 Ų85.638%0.3843%0.428SS..EExtended strand (participates in β ladder)trans-106.8119.2173.4-54.10000108.2V110 L140T108-V110 HydrophobicContact CG2-CG2 4.01Å; T108-L140 PolarHBondContact N-O 3.02Å; T108-L140 PolarHBondContact O-N 2.65Å
109A91.3Very high82.3Confident0 Ų083.1 Ų83.10%042%0.424CS..EExtended strand (participates in β ladder)trans-85.5140.3163.300000109S84 F85 V87 I137 E138 L139S84-A109 CarbonylContact C-O 3.24Å; S84-A109 WeakPolarHBondContact CA-O 3.34Å; S84-A109 WeakPolarHBondContact CB-O 3.41Å; F85-A109 HydrophobicContact CD1-CB 3.98Å; F85-A109 HydrophobicContact CD2-CB 3.86Å; F85-A109 HydrophobicContact CE1-CB 3.68Å; F85-A109 HydrophobicContact CE2-CB 3.56Å; F85-A109 HydrophobicContact CG-CB 4.07Å; F85-A109 HydrophobicContact CZ-CB 3.47Å; F85-A109 VanDerWaalsContact CZ-CB 3.47Å; F85-A109 PolarHBondContact N-O 3.29Å; F85-A109 PolarHBondContact O-N 3.05Å; V87-A109 HydrophobicContact CG2-CB 3.6Å; A109-I137 HydrophobicContact CB-CD1 3.89Å; A109-I137 HydrophobicContact CB-CG1 4.26Å; A109-E138 CarbonylContact C-O 3.45Å; A109-E138 WeakPolarHBondContact CA-O 3.17Å; A109-L139 HydrophobicContact CB-CD2 3.87Å
110V89.8Confident82.5Confident37 Ų3782.4 Ų82.422%0.22442%0.417CS..EExtended strand (participates in β ladder)trans-130.5112.9174.9-177.40000107.9P82 T108 M112 I137 E138P82-V110 HydrophobicContact CB-CG1 3.39Å; T108-V110 HydrophobicContact CG2-CG2 4.01Å; V110-M112 HydrophobicContact CG1-CG 4.43Å; V110-I137 CarbonylContact O-C 3.58Å; V110-I137 WeakPolarHBondContact O-CA 3.49Å; V110-E138 PolarHBondContact N-O 3.07Å; V110-E138 PolarHBondContact O-N 3.19Å
111V86.6Confident82.9Confident20 Ų2075.3 Ų75.312%0.12139%0.386CS..EExtended strand (participates in β ladder)trans-91.8114.1177.5-178.60000109.3P82 E83 F85 W134 I137P82-V111 VanDerWaalsContact CA-O 3.25Å; P82-V111 WeakPolarHBondContact CA-O 3.48Å; E83-V111 HydrophobicContact CB-CB 4.31Å; E83-V111 PolarHBondContact N-O 3.31Å; E83-V111 PolarHBondContact O-N 2.96Å; F85-V111 HydrophobicContact CE1-CG2 3.85Å; V111-W134 HydrophobicContact CG1-CB 4.14Å; V111-W134 HydrophobicContact CG1-CG 4.25Å; V111-W134 HydrophobicContact CG2-CB 4Å; V111-W134 HydrophobicContact CG2-CD2 4.32Å; V111-W134 HydrophobicContact CG2-CG 3.75Å; V111-I137 HydrophobicContact CG2-CB 4.42Å; V111-I137 HydrophobicContact CG2-CD1 4.1Å; V111-I137 HydrophobicContact CG2-CG1 4.02Å
112M78.9Confident83Confident19 Ų1975 Ų759%0.09439%0.391CS..  trans-91.2162.4177.6-58.1179.4-60.700111.3V110 F114 D116 L119 Y136 E138V110-M112 HydrophobicContact CG1-CG 4.43Å; M112-F114 WeakPolarHBondContact CB-O 3.14Å; M112-D116 HydrophobicContact SD-CB 4.29Å; M112-L119 HydrophobicContact SD-CB 3.91Å; M112-L119 HydrophobicContact SD-CD1 3.7Å; M112-L119 HydrophobicContact SD-CG 4.47Å; M112-Y136 WeakPolarHBondContact CB-O 3.48Å; M112-Y136 PolarHBondContact N-O 3.16Å; M112-Y136 WeakPolarHBondContact O-CB 3.38Å; M112-E138 HydrophobicContact CE-CG 3.37Å; M112-E138 HydrophobicContact SD-CG 4.22Å
113G70.4Confident83.1Confident39 Ų3975.6 Ų75.640%0.40239%0.392SS..SBendtrans-84.1-12.6172.700000114.2
114F74.8Confident83.3Confident133 Ų13372.1 Ų72.158%0.58338%0.375SS*.SBendtrans-157.7168.8-175.659.4-89.4000110.5M112 D116M112-F114 WeakPolarHBondContact CB-O 3.14Å; F114-D116 HydrophobicContact CE2-CB 4.08Å; F114-D116 PolarHBondContact O-N 3.07Å
115E72.3Confident83.5Confident139 Ų13967.5 Ų67.565%0.6537%0.365SS*.  trans-75.9118.7173.3-67.3-175.4122.900111.4Y136E115-Y136 HydrophobicContact CG-CD1 3.53Å; E115-Y136 HydrophobicContact CG-CE1 3.57Å
116D75.1Confident83.5Confident41 Ų4167 Ų6722%0.21936%0.361CS..  trans-111109.7170.1-173.1-17000110.1M112 F114 M118 L119M112-D116 HydrophobicContact SD-CB 4.29Å; F114-D116 HydrophobicContact CE2-CB 4.08Å; F114-D116 PolarHBondContact O-N 3.07Å; D116-M118 PolarHBondContact O-N 3.08Å; D116-M118 VanDerWaalsContact O-N 3.08Å; D116-M118 WeakPolarHBondContact OD1-CB 3.41Å; D116-M118 PolarHBondContact OD1-N 2.89Å; D116-L119 HydrophobicContact CB-CB 4.25Å; D116-L119 HydrophobicContact CB-CD1 4.1Å; D116-L119 HydrophobicContact CB-CG 4.29Å; D116-L119 PolarHBondContact O-N 2.93Å; D116-L119 WeakPolarHBondContact OD2-CD1 3.36Å
117P77.3Confident83.5Confident106 Ų10663.6 Ų63.669%0.68835%0.345SS*.THydrogen-bonded Turntrans-57-23.3178.6-24.734000114.5
118M79.5Confident83.5Confident175 Ų17570.5 Ų70.586%0.86237%0.371SS*.THydrogen-bonded Turntrans-80-17.9180-63-168.966.400113.4D116D116-M118 PolarHBondContact O-N 3.08Å; D116-M118 VanDerWaalsContact O-N 3.08Å; D116-M118 WeakPolarHBondContact OD1-CB 3.41Å; D116-M118 PolarHBondContact OD1-N 2.89Å
119L75.8Confident83.5Confident97 Ų9770.4 Ų70.451%0.50837%0.372SS..SBendtrans-108.83.2-174-65.1175.7000113.4M112 D116 T121 E138M112-L119 HydrophobicContact SD-CB 3.91Å; M112-L119 HydrophobicContact SD-CD1 3.7Å; M112-L119 HydrophobicContact SD-CG 4.47Å; D116-L119 HydrophobicContact CB-CB 4.25Å; D116-L119 HydrophobicContact CB-CD1 4.1Å; D116-L119 HydrophobicContact CB-CG 4.29Å; D116-L119 PolarHBondContact O-N 2.93Å; D116-L119 WeakPolarHBondContact OD2-CD1 3.36Å; L119-T121 PolarHBondContact O-N 2.77Å; L119-E138 WeakPolarHBondContact O-CG 3.37Å
120Q82.6Confident83.4Confident115 Ų11572.2 Ų72.254%0.53738%0.382SS..PPolyproline II helixtrans-67.6119.8-178.9-71.8-176.1-8.600112.1
121T86.6Confident83.4Confident32 Ų3273.5 Ų73.520%0.19639%0.386CS..PPolyproline II helixtrans-89.5165.4167.2720000110.6L119 K127 E138 L139 L140L119-T121 PolarHBondContact O-N 2.77Å; T121-K127 PolarHBondContact O-NZ 3.36Å; T121-E138 WeakPolarHBondContact CB-OE2 3.35Å; T121-E138 HydrophobicContact CG2-CB 4.17Å; T121-E138 PolarHBondContact N-OE2 3.23Å; T121-E138 PolarHBondContact OG1-OE2 2.75Å; T121-L139 WeakPolarHBondContact CB-O 3.49Å; T121-L139 WeakPolarHBondContact CG2-O 3.44Å; T121-L139 PolarHBondContact OG1-N 3.32Å; T121-L139 VanDerWaalsContact OG1-N 3.14Å; T121-L139 PolarHBondContact OG1-O 3.35Å; T121-L140 HydrophobicContact CG2-CD1 4.46Å; T121-L140 HydrophobicContact CG2-CG 4.18Å
122D86.3Confident83.5Confident131 Ų13178.7 Ų78.770%0.70142%0.417SS*.PPolyproline II helixtrans-49.6139.7179.2-68-29.8000113.2T124 K127D122-T124 VanDerWaalsContact C-N 3.32Å; D122-T124 HydrophobicContact CB-CG2 4.18Å; D122-T124 PolarHBondContact O-N 3.19Å; D122-K127 WeakPolarHBondContact O-CD 3.4Å
123D86.4Confident83.7Confident91 Ų9184.8 Ų84.849%0.48744%0.443SS..  trans-77.482.4176.6-173.316.4000110.6R128D123-R128 VanDerWaalsContact CG-NE 3.28Å; D123-R128 WeakPolarHBondContact OD1-CG 3.29Å; D123-R128 IonicContact OD1-CZ 3.22Å; D123-R128 IonicContact OD1-NE 3.33Å; D123-R128 PolarHBondContact OD1-NE 2.98Å; D123-R128 IonicContact OD1-NH2 2.66Å; D123-R128 IonicContact OD2-CZ 3.67Å; D123-R128 VanDerWaalsContact OD2-CZ 3.22Å; D123-R128 IonicContact OD2-NE 3.06Å; D123-R128 PolarHBondContact OD2-NE 3.28Å; D123-R128 IonicContact OD2-NH2 2.79Å; D123-R128 PolarHBondContact OD2-NH2 3.1Å
124T88.9Confident84.6Confident9 Ų985.9 Ų85.96%0.05544%0.435CS..  trans-90153.5179.767.30000111.3D122 I126 K127 R128 S146D122-T124 VanDerWaalsContact C-N 3.32Å; D122-T124 HydrophobicContact CB-CG2 4.18Å; D122-T124 PolarHBondContact O-N 3.19Å; T124-I126 PolarHBondContact O-N 3.48Å; T124-I126 VanDerWaalsContact O-N 3.16Å; T124-K127 WeakPolarHBondContact O-CA 3.45Å; T124-K127 WeakPolarHBondContact O-CB 3.43Å; T124-K127 PolarHBondContact O-N 2.63Å; T124-K127 WeakPolarHBondContact OG1-CB 3.37Å; T124-K127 PolarHBondContact OG1-N 2.94Å; T124-K127 VanDerWaalsContact OG1-N 3.09Å; T124-R128 PolarHBondContact O-N 2.86Å; T124-S146 VanDerWaalsContact CG2-CB 3.42Å
125P88.6Confident85Confident66 Ų6683.6 Ų83.643%0.42943%0.434SS..Hα-helixtrans-54.2-34.8173-28.536.7000113.5C129 L149P125-C129 PolarHBondContact O-N 3.09Å; P125-L149 HydrophobicContact CB-CB 3.64Å; P125-L149 HydrophobicContact CB-CD2 4.3Å
126I89.3Confident85.7Confident13 Ų1381.5 Ų81.57%0.06742%0.421CS..Hα-helixtrans-66.6-44.4176-58.9173.5000110.6T124 R128 C129 L130 L139 W141 P147 L149T124-I126 PolarHBondContact O-N 3.48Å; T124-I126 VanDerWaalsContact O-N 3.16Å; I126-R128 PolarHBondContact O-N 3.26Å; I126-C129 PolarHBondContact O-N 2.91Å; I126-L130 HydrophobicContact CG2-CD1 4.13Å; I126-L130 PolarHBondContact O-N 2.72Å; I126-L139 HydrophobicContact CG2-CD1 4.09Å; I126-W141 HydrophobicContact CD1-CZ2 4.01Å; I126-W141 HydrophobicContact CG2-CZ2 4.07Å; I126-P147 HydrophobicContact CD1-CB 3.74Å; I126-P147 HydrophobicContact CD1-CG 4.26Å; I126-P147 VanDerWaalsContact CD1-O 3.28Å; I126-P147 WeakPolarHBondContact CD1-O 3.37Å; I126-L149 HydrophobicContact CG1-CB 3.97Å; I126-L149 HydrophobicContact CG1-CD1 3.83Å
127K90.7Very high86.5Confident11 Ų1179.6 Ų79.65%0.04841%0.41CS..Hα-helixtrans-56-51.2174.4-176.8174.1170.4170.40110.7T121 D122 T124 C129 L130 Q131 I137 E138 L139T121-K127 PolarHBondContact O-NZ 3.36Å; D122-K127 WeakPolarHBondContact O-CD 3.4Å; T124-K127 WeakPolarHBondContact O-CA 3.45Å; T124-K127 WeakPolarHBondContact O-CB 3.43Å; T124-K127 PolarHBondContact O-N 2.63Å; T124-K127 WeakPolarHBondContact OG1-CB 3.37Å; T124-K127 PolarHBondContact OG1-N 2.94Å; T124-K127 VanDerWaalsContact OG1-N 3.09Å; K127-C129 VanDerWaalsContact C-N 3.29Å; K127-C129 PolarHBondContact O-N 2.9Å; K127-L130 PolarHBondContact O-N 2.7Å; K127-L130 VanDerWaalsContact O-N 3.09Å; K127-Q131 HydrophobicContact CG-CG 4.26Å; K127-Q131 WeakPolarHBondContact O-CB 3.3Å; K127-Q131 VanDerWaalsContact O-CG 3.3Å; K127-Q131 WeakPolarHBondContact O-CG 3.48Å; K127-Q131 PolarHBondContact O-N 3.01Å; K127-I137 WeakPolarHBondContact CE-O 3.37Å; K127-E138 IonicContact NZ-OE1 3.97Å; K127-E138 PolarHBondContact NZ-OE1 3.25Å; K127-E138 IonicContact NZ-OE2 3.86Å; K127-E138 PolarHBondContact NZ-OE2 3.45Å; K127-L139 HydrophobicContact CB-CD1 3.84Å; K127-L139 HydrophobicContact CG-CD1 4.47Å
128R90.9Very high87.1Confident144 Ų14475.3 Ų75.354%0.54338%0.381SS..Hα-helixtrans-57.5-40178.2-65.7-176.9-177.6171.1-1113.1D123 T124 I126 Q131D123-R128 VanDerWaalsContact CG-NE 3.28Å; D123-R128 WeakPolarHBondContact OD1-CG 3.29Å; D123-R128 IonicContact OD1-CZ 3.22Å; D123-R128 IonicContact OD1-NE 3.33Å; D123-R128 PolarHBondContact OD1-NE 2.98Å; D123-R128 IonicContact OD1-NH2 2.66Å; D123-R128 IonicContact OD2-CZ 3.67Å; D123-R128 VanDerWaalsContact OD2-CZ 3.22Å; D123-R128 IonicContact OD2-NE 3.06Å; D123-R128 PolarHBondContact OD2-NE 3.28Å; D123-R128 IonicContact OD2-NH2 2.79Å; D123-R128 PolarHBondContact OD2-NH2 3.1Å; T124-R128 PolarHBondContact O-N 2.86Å; I126-R128 PolarHBondContact O-N 3.26Å; R128-Q131 PolarHBondContact O-N 2.95Å
129C90.8Very high87.7Confident60 Ų6067.4 Ų67.441%0.40534%0.342SS..Hα-helixtrans-64.2-46.3175.1-79.10000112.2P125 I126 K127 Q131 T132 L149P125-C129 PolarHBondContact O-N 3.09Å; I126-C129 PolarHBondContact O-N 2.91Å; K127-C129 VanDerWaalsContact C-N 3.29Å; K127-C129 PolarHBondContact O-N 2.9Å; C129-Q131 VanDerWaalsContact C-N 3.3Å; C129-Q131 PolarHBondContact O-N 3.16Å; C129-T132 WeakPolarHBondContact O-CB 3.38Å; C129-T132 WeakPolarHBondContact O-CG2 3.38Å; C129-T132 PolarHBondContact O-N 2.94Å; C129-T132 PolarHBondContact O-OG1 3.01Å; C129-L149 WeakPolarHBondContact SG-CD2 3.48Å
130L89.4Confident88.4Confident38 Ų3868.2 Ų68.220%0.19935%0.347CS..Hα-helixtrans-68.2-30.7179-65.8172.4000112.3I126 K127 T132 K133 W134 I137 L139I126-L130 HydrophobicContact CG2-CD1 4.13Å; I126-L130 PolarHBondContact O-N 2.72Å; K127-L130 PolarHBondContact O-N 2.7Å; K127-L130 VanDerWaalsContact O-N 3.09Å; L130-T132 PolarHBondContact O-N 3.09Å; L130-T132 VanDerWaalsContact O-N 3.16Å; L130-K133 PolarHBondContact O-N 2.97Å; L130-W134 HydrophobicContact CB-CE3 4.29Å; L130-W134 HydrophobicContact CD2-CE3 4.27Å; L130-W134 HydrophobicContact CD2-CZ3 3.76Å; L130-W134 PolarHBondContact O-N 3.09Å; L130-I137 HydrophobicContact CB-CD1 3.97Å; L130-I137 HydrophobicContact CB-CG2 4.08Å; L130-I137 HydrophobicContact CD1-CD1 4.25Å; L130-L139 HydrophobicContact CD1-CD1 3.85Å; L130-L139 HydrophobicContact CD1-CD2 3.91Å; L130-L139 HydrophobicContact CD1-CG 4.36Å
131Q90.9Very high88.7Confident65 Ų6564.3 Ų64.330%0.30433%0.327SS..Hα-helixtrans-60.6-21.4174.6-77.5175.3-38.400113.9K127 R128 C129 K133 W134 I137K127-Q131 HydrophobicContact CG-CG 4.26Å; K127-Q131 WeakPolarHBondContact O-CB 3.3Å; K127-Q131 VanDerWaalsContact O-CG 3.3Å; K127-Q131 WeakPolarHBondContact O-CG 3.48Å; K127-Q131 PolarHBondContact O-N 3.01Å; R128-Q131 PolarHBondContact O-N 2.95Å; C129-Q131 VanDerWaalsContact C-N 3.3Å; C129-Q131 PolarHBondContact O-N 3.16Å; Q131-K133 PolarHBondContact O-N 3.01Å; Q131-W134 WeakPolarHBondContact CA-O 3.33Å; Q131-I137 HydrophobicContact CG-CG2 3.68Å
132T87.9Confident88.8Confident128 Ų12867.6 Ų67.679%0.78535%0.347SS*.THydrogen-bonded Turntrans-63.9-23.4173.166.60000113.2C129 L130C129-T132 WeakPolarHBondContact O-CB 3.38Å; C129-T132 WeakPolarHBondContact O-CG2 3.38Å; C129-T132 PolarHBondContact O-N 2.94Å; C129-T132 PolarHBondContact O-OG1 3.01Å; L130-T132 PolarHBondContact O-N 3.09Å; L130-T132 VanDerWaalsContact O-N 3.16Å
133K84.1Confident88.5Confident148 Ų14864.2 Ų64.264%0.64333%0.331SS*.THydrogen-bonded Turntrans-108.2-35.9175.9-174176.4176.9-172.20112.5L130 Q131L130-K133 PolarHBondContact O-N 2.97Å; Q131-K133 PolarHBondContact O-N 3.01Å
134W87.8Confident87.9Confident61 Ų6168.5 Ų68.523%0.23135%0.354CS..  trans-125.989.7-177.4-62-74000110.7F85 V111 L130 Q131 Y136 I137F85-W134 HydrophobicContact CE1-CH2 4.31Å; F85-W134 HydrophobicContact CE1-CZ2 4.17Å; F85-W134 HydrophobicContact CE2-CH2 4.42Å; F85-W134 HydrophobicContact CZ-CE3 4.21Å; F85-W134 AromaticContact CZ-CH2 3.75Å; F85-W134 HydrophobicContact CZ-CH2 3.75Å; F85-W134 HydrophobicContact CZ-CZ2 4.08Å; F85-W134 AromaticContact CZ-CZ3 3.84Å; F85-W134 HydrophobicContact CZ-CZ3 3.84Å; V111-W134 HydrophobicContact CG1-CB 4.14Å; V111-W134 HydrophobicContact CG1-CG 4.25Å; V111-W134 HydrophobicContact CG2-CB 4Å; V111-W134 HydrophobicContact CG2-CD2 4.32Å; V111-W134 HydrophobicContact CG2-CG 3.75Å; L130-W134 HydrophobicContact CB-CE3 4.29Å; L130-W134 HydrophobicContact CD2-CE3 4.27Å; L130-W134 HydrophobicContact CD2-CZ3 3.76Å; L130-W134 PolarHBondContact O-N 3.09Å; Q131-W134 WeakPolarHBondContact CA-O 3.33Å; W134-Y136 PolarHBondContact O-N 2.94Å; W134-Y136 VanDerWaalsContact O-N 3.1Å; W134-I137 HydrophobicContact CB-CB 3.81Å; W134-I137 HydrophobicContact CB-CD1 4.17Å; W134-I137 HydrophobicContact CB-CG1 4.48Å; W134-I137 HydrophobicContact CB-CG2 4.22Å; W134-I137 HydrophobicContact CD2-CD1 4.29Å; W134-I137 HydrophobicContact CE3-CD1 3.92Å; W134-I137 HydrophobicContact CG-CD1 4.45Å; W134-I137 WeakPolarHBondContact O-CB 3.28Å; W134-I137 WeakPolarHBondContact O-CG2 3.39Å; W134-I137 PolarHBondContact O-N 3.03Å; W134-I137 VanDerWaalsContact O-N 3.17Å
135P84.6Confident87.2Confident85 Ų8575.6 Ų75.655%0.55238%0.38SS*.THydrogen-bonded Turntrans-54.4-36.5-169.9-29.135.7000114.9
136Y87.2Confident86.4Confident96 Ų9675.6 Ų75.638%0.37638%0.382SS..THydrogen-bonded Turntrans-107.440.2-177-46.3-60000112.4M112 E115 W134M112-Y136 WeakPolarHBondContact CB-O 3.48Å; M112-Y136 PolarHBondContact N-O 3.16Å; M112-Y136 WeakPolarHBondContact O-CB 3.38Å; E115-Y136 HydrophobicContact CG-CD1 3.53Å; E115-Y136 HydrophobicContact CG-CE1 3.57Å; W134-Y136 PolarHBondContact O-N 2.94Å; W134-Y136 VanDerWaalsContact O-N 3.1Å
137I90.1Very high86Confident0 Ų075.6 Ų75.60%038%0.382CS..EExtended strand (participates in β ladder)trans-86.5135.5177.8-164.5173.4000112.5F85 A109 V110 V111 K127 L130 Q131 W134F85-I137 HydrophobicContact CE1-CD1 4.22Å; F85-I137 HydrophobicContact CZ-CD1 3.87Å; A109-I137 HydrophobicContact CB-CD1 3.89Å; A109-I137 HydrophobicContact CB-CG1 4.26Å; V110-I137 CarbonylContact O-C 3.58Å; V110-I137 WeakPolarHBondContact O-CA 3.49Å; V111-I137 HydrophobicContact CG2-CB 4.42Å; V111-I137 HydrophobicContact CG2-CD1 4.1Å; V111-I137 HydrophobicContact CG2-CG1 4.02Å; K127-I137 WeakPolarHBondContact CE-O 3.37Å; L130-I137 HydrophobicContact CB-CD1 3.97Å; L130-I137 HydrophobicContact CB-CG2 4.08Å; L130-I137 HydrophobicContact CD1-CD1 4.25Å; Q131-I137 HydrophobicContact CG-CG2 3.68Å; W134-I137 HydrophobicContact CB-CB 3.81Å; W134-I137 HydrophobicContact CB-CD1 4.17Å; W134-I137 HydrophobicContact CB-CG1 4.48Å; W134-I137 HydrophobicContact CB-CG2 4.22Å; W134-I137 HydrophobicContact CD2-CD1 4.29Å; W134-I137 HydrophobicContact CE3-CD1 3.92Å; W134-I137 HydrophobicContact CG-CD1 4.45Å; W134-I137 WeakPolarHBondContact O-CB 3.28Å; W134-I137 WeakPolarHBondContact O-CG2 3.39Å; W134-I137 PolarHBondContact O-N 3.03Å; W134-I137 VanDerWaalsContact O-N 3.17Å
138E91.6Very high85.3Confident17 Ų1776.6 Ų76.68%0.07939%0.391CS..EExtended strand (participates in β ladder)trans-116.3146174.2-64.3-59.3152.300110.8A109 V110 M112 L119 T121 K127A109-E138 CarbonylContact C-O 3.45Å; A109-E138 WeakPolarHBondContact CA-O 3.17Å; V110-E138 PolarHBondContact N-O 3.07Å; V110-E138 PolarHBondContact O-N 3.19Å; M112-E138 HydrophobicContact CE-CG 3.37Å; M112-E138 HydrophobicContact SD-CG 4.22Å; L119-E138 WeakPolarHBondContact O-CG 3.37Å; T121-E138 WeakPolarHBondContact CB-OE2 3.35Å; T121-E138 HydrophobicContact CG2-CB 4.17Å; T121-E138 PolarHBondContact N-OE2 3.23Å; T121-E138 PolarHBondContact OG1-OE2 2.75Å; K127-E138 IonicContact NZ-OE1 3.97Å; K127-E138 PolarHBondContact NZ-OE1 3.25Å; K127-E138 IonicContact NZ-OE2 3.86Å; K127-E138 PolarHBondContact NZ-OE2 3.45Å
139L90.9Very high84.4Confident8 Ų873 Ų734%0.04238%0.382CS..EExtended strand (participates in β ladder)trans-128.8118-173-74.8170.1000111.9V87 A109 T121 I126 K127 L130V87-L139 HydrophobicContact CG2-CD2 4.28Å; A109-L139 HydrophobicContact CB-CD2 3.87Å; T121-L139 WeakPolarHBondContact CB-O 3.49Å; T121-L139 WeakPolarHBondContact CG2-O 3.44Å; T121-L139 PolarHBondContact OG1-N 3.32Å; T121-L139 VanDerWaalsContact OG1-N 3.14Å; T121-L139 PolarHBondContact OG1-O 3.35Å; I126-L139 HydrophobicContact CG2-CD1 4.09Å; K127-L139 HydrophobicContact CB-CD1 3.84Å; K127-L139 HydrophobicContact CG-CD1 4.47Å; L130-L139 HydrophobicContact CD1-CD1 3.85Å; L130-L139 HydrophobicContact CD1-CD2 3.91Å; L130-L139 HydrophobicContact CD1-CG 4.36Å
140L90.4Very high82.9Confident115 Ų11577.8 Ų77.860%0.60240%0.403SS*.EExtended strand (participates in β ladder)trans-112.1110.8174.7-96.8145.8000110.2G107 T108 T121G107-L140 CarbonylContact C-O 3.59Å; G107-L140 WeakPolarHBondContact CA-O 3.12Å; T108-L140 PolarHBondContact N-O 3.02Å; T108-L140 PolarHBondContact O-N 2.65Å; T121-L140 HydrophobicContact CG2-CD1 4.46Å; T121-L140 HydrophobicContact CG2-CG 4.18Å
141W89.7Confident82.6Confident33 Ų3379.8 Ų79.813%0.12541%0.414CS..EExtended strand (participates in β ladder)trans-85.8147.5176.1-62101.5000111.1V87 H89 V105 I126 T143 P147V87-W141 HydrophobicContact CB-CH2 4.36Å; V87-W141 HydrophobicContact CG1-CH2 3.78Å; V87-W141 HydrophobicContact CG1-CZ3 4.31Å; H89-W141 HydrophobicContact CB-CH2 3.77Å; H89-W141 HydrophobicContact CB-CZ3 3.77Å; V105-W141 HydrophobicContact CG1-CE3 3.97Å; I126-W141 HydrophobicContact CD1-CZ2 4.01Å; I126-W141 HydrophobicContact CG2-CZ2 4.07Å; W141-T143 PolarHBondContact O-N 2.76Å; W141-T143 VanDerWaalsContact O-N 3.16Å; W141-P147 VanDerWaalsContact CD1-CD 3.48Å; W141-P147 VanDerWaalsContact CD2-CD 3.49Å; W141-P147 HydrophobicContact CD2-CG 3.57Å; W141-P147 HydrophobicContact CE3-CG 3.8Å; W141-P147 HydrophobicContact CG-CG 4.11Å; W141-P147 HydrophobicContact CH2-CG 4.08Å; W141-P147 HydrophobicContact CZ2-CG 3.87Å; W141-P147 HydrophobicContact CZ3-CG 4.05Å
142T87.3Confident82.1Confident101 Ų10180.5 Ų80.562%0.6242%0.419SS*.SBendtrans-70.7-2.6175.151.90000113.9E106E106-T142 HydrophobicContact CB-CG2 4.25Å; E106-T142 WeakPolarHBondContact O-CB 3.45Å; E106-T142 WeakPolarHBondContact O-CG2 3.36Å; E106-T142 PolarHBondContact O-N 3.25Å; E106-T142 PolarHBondContact O-OG1 3.44Å
143T81.3Confident81.8Confident60 Ų6077.9 Ų77.937%0.36840%0.399SS..SBendtrans-123.4151.6-175.979.70000110.4V105 W141 R145V105-T143 HydrophobicContact CG1-CG2 3.6Å; V105-T143 HydrophobicContact CG2-CG2 4.36Å; W141-T143 PolarHBondContact O-N 2.76Å; W141-T143 VanDerWaalsContact O-N 3.16Å; T143-R145 PolarHBondContact O-N 2.71Å; T143-R145 PolarHBondContact OG1-O 2.94Å
144D74.2Confident81.7Confident180 Ų18073.8 Ų73.896%0.96339%0.385SS*.SBendtrans-65.1-9.6-179.9-57.8-41000114.3
145R72.6Confident81.3Confident159 Ų15974.6 Ų74.660%0.639%0.394SS*.SBendtrans-114.3127.5178.7-70.9-171.3-176.7-171.92.1110.7T143T143-R145 PolarHBondContact O-N 2.71Å; T143-R145 PolarHBondContact OG1-O 2.94Å
146S73.6Confident81.1Confident66 Ų6673.9 Ų73.946%0.46238%0.384SS..PPolyproline II helixtrans-59.9127.8166.155.50000109.8T124T124-S146 VanDerWaalsContact CG2-CB 3.42Å
147P80.3Confident80.6Confident13 Ų1372.3 Ų72.38%0.08438%0.384CS..PPolyproline II helixtrans-64.3149.9174-10.623.5000111.1H89 V105 I126 W141H89-P147 HydrophobicContact CB-CB 3.92Å; H89-P147 HydrophobicContact CB-CG 3.92Å; H89-P147 VanDerWaalsContact ND1-CB 3.33Å; H89-P147 WeakPolarHBondContact ND1-CB 3.36Å; V105-P147 HydrophobicContact CG1-CG 4.44Å; I126-P147 HydrophobicContact CD1-CB 3.74Å; I126-P147 HydrophobicContact CD1-CG 4.26Å; I126-P147 VanDerWaalsContact CD1-O 3.28Å; I126-P147 WeakPolarHBondContact CD1-O 3.37Å; W141-P147 VanDerWaalsContact CD1-CD 3.48Å; W141-P147 VanDerWaalsContact CD2-CD 3.49Å; W141-P147 HydrophobicContact CD2-CG 3.57Å; W141-P147 HydrophobicContact CE3-CG 3.8Å; W141-P147 HydrophobicContact CG-CG 4.11Å; W141-P147 HydrophobicContact CH2-CG 4.08Å; W141-P147 HydrophobicContact CZ2-CG 3.87Å; W141-P147 HydrophobicContact CZ3-CG 4.05Å
148S74.9Confident79.9Confident31 Ų3177.8 Ų77.822%0.21741%0.414CS..PPolyproline II helixtrans-89.7148.5-179.367.20000111.6H89 Q95 S96H89-S148 PolarHBondContact NE2-O 2.66Å; H89-S148 VanDerWaalsContact NE2-O 3.09Å; Q95-S148 PolarHBondContact NE2-OG 3.16Å; S96-S148 PolarHBondContact OG-OG 2.7Å
149L72.7Confident78.9Confident70 Ų7082.9 Ų82.937%0.36644%0.442SS..  trans-104.5122.4168.4-163.393.4000107.6P125 I126 C129P125-L149 HydrophobicContact CB-CB 3.64Å; P125-L149 HydrophobicContact CB-CD2 4.3Å; I126-L149 HydrophobicContact CG1-CB 3.97Å; I126-L149 HydrophobicContact CG1-CD1 3.83Å; C129-L149 WeakPolarHBondContact SG-CD2 3.48Å
150N59.4Low77.9Confident159 Ų15989.7 Ų89.785%0.8548%0.478SS*.  trans63.30178.9-70.1-39000117.4L93 Q95L93-N150 WeakPolarHBondContact CD1-OXT 3.07Å; Q95-N150 PolarHBondContact NE2-O 2.93Å; Q95-N150 PolarHBondContact NE2-OXT 2.8Å

Retrieved 150 of 150 residues in 165.6 ms (Link to these results)

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