A0A060WFM2_ONCMY Loading...

Protein FAM72A

AlphaFold DB , UniProt , Accession A0A060WFM2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 147 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
1M37.8Very low73.4Confident240 Ų24098.3 Ų98.3100%1.18253%0.525SS*.  0109.40-69.6173.4176.200106.3T3M1-T3 PolarHBondContact O-N 3.17Å; M1-T3 VanDerWaalsContact O-N 3.07Å
2S37Very low75.4Confident108 Ų10890.3 Ų90.376%0.75548%0.483SS*.  trans-70.1106.6179.261.20000107.6S4S2-S4 PolarHBondContact O-N 3.38Å
3T45.3Very low77.2Confident131 Ų13187.5 Ų87.580%0.80447%0.465SS*.  trans-65.394.7163.544.10000105.8M1 N5M1-T3 PolarHBondContact O-N 3.17Å; M1-T3 VanDerWaalsContact O-N 3.07Å; T3-N5 PolarHBondContact O-N 3.1Å
4S58.1Low78.7Confident37 Ų3781.2 Ų81.226%0.25943%0.432SS..  trans-55108.1172.7-61.50000106.5S2 F6 C94S2-S4 PolarHBondContact O-N 3.38Å; S4-F6 VanDerWaalsContact C-N 3.29Å; S4-F6 VanDerWaalsContact CB-CZ 3.49Å; S4-F6 WeakPolarHBondContact O-CD2 3.49Å; S4-F6 VanDerWaalsContact O-CE2 3.31Å; S4-F6 WeakPolarHBondContact O-CE2 3.37Å; S4-F6 PolarHBondContact O-N 2.82Å; S4-C94 PolarHBondContact OG-SG 3.01Å
5N71.1Confident80Confident104 Ų10478.1 Ų78.156%0.55642%0.415SS*.  trans-81.582.6-164.5-168.8-5.1000108.8T3 K7T3-N5 PolarHBondContact O-N 3.1Å; N5-K7 PolarHBondContact O-N 3.29Å; N5-K7 WeakPolarHBondContact OD1-CB 3.16Å; N5-K7 WeakPolarHBondContact OD1-CD 3.49Å; N5-K7 WeakPolarHBondContact OD1-CG 3.06Å; N5-K7 PolarHBondContact OD1-N 2.69Å
6F87.1Confident81.2Confident60 Ų6073.2 Ų73.226%0.26339%0.389SS..G310 helixtrans-70.7-1.5178-56.3-72.1000112.9S4 N8 K9 M28 N95 N96 W123S4-F6 VanDerWaalsContact C-N 3.29Å; S4-F6 VanDerWaalsContact CB-CZ 3.49Å; S4-F6 WeakPolarHBondContact O-CD2 3.49Å; S4-F6 VanDerWaalsContact O-CE2 3.31Å; S4-F6 WeakPolarHBondContact O-CE2 3.37Å; S4-F6 PolarHBondContact O-N 2.82Å; F6-N8 PolarHBondContact O-N 3.38Å; F6-N8 VanDerWaalsContact O-N 3.15Å; F6-K9 HydrophobicContact CB-CG 4.3Å; F6-K9 HydrophobicContact CD1-CG 4.45Å; F6-K9 VanDerWaalsContact O-CB 3.26Å; F6-K9 WeakPolarHBondContact O-CB 3.44Å; F6-K9 WeakPolarHBondContact O-CG 3.21Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-M28 HydrophobicContact CB-CE 3.78Å; F6-M28 HydrophobicContact CB-SD 4.1Å; F6-M28 HydrophobicContact CD1-SD 4.16Å; F6-M28 HydrophobicContact CG-CE 4.41Å; F6-M28 HydrophobicContact CG-SD 4.21Å; F6-N95 WeakPolarHBondContact CE2-O 3.46Å; F6-N96 HydrophobicContact CD1-CB 4.41Å; F6-N96 HydrophobicContact CD2-CB 3.92Å; F6-N96 HydrophobicContact CE1-CB 4.19Å; F6-N96 VanDerWaalsContact CE2-CA 3.48Å; F6-N96 HydrophobicContact CE2-CB 3.7Å; F6-N96 HydrophobicContact CG-CB 4.29Å; F6-N96 HydrophobicContact CZ-CB 3.84Å; F6-W123 WeakPolarHBondContact O-CB 3.39Å
7K89.8Confident82.2Confident129 Ų12974.1 Ų74.156%0.56139%0.393SS*.G310 helixtrans-56.9-32-178.5-66.6-178-180-1640113.5N5 K9 L122 W123 G124N5-K7 PolarHBondContact O-N 3.29Å; N5-K7 WeakPolarHBondContact OD1-CB 3.16Å; N5-K7 WeakPolarHBondContact OD1-CD 3.49Å; N5-K7 WeakPolarHBondContact OD1-CG 3.06Å; N5-K7 PolarHBondContact OD1-N 2.69Å; K7-K9 VanDerWaalsContact C-N 3.29Å; K7-K9 PolarHBondContact O-N 2.86Å; K7-L122 WeakPolarHBondContact O-CB 3.35Å; K7-W123 PolarHBondContact O-N 2.84Å; K7-G124 PolarHBondContact O-N 3.45Å
8N93.1Very high83.1Confident123 Ų12376.8 Ų76.866%0.65840%0.398SS*.G310 helixtrans-85.81.9-179.6-62.2-12.8000113.3F6F6-N8 PolarHBondContact O-N 3.38Å; F6-N8 VanDerWaalsContact O-N 3.15Å
9K94.3Very high83.9Confident111 Ų11174.3 Ų74.348%0.48339%0.387SS..SBendtrans-74.8147.9174.9-63.7-64.4-174.7178.10109.6F6 K7 M28 L122 W123F6-K9 HydrophobicContact CB-CG 4.3Å; F6-K9 HydrophobicContact CD1-CG 4.45Å; F6-K9 VanDerWaalsContact O-CB 3.26Å; F6-K9 WeakPolarHBondContact O-CB 3.44Å; F6-K9 WeakPolarHBondContact O-CG 3.21Å; F6-K9 PolarHBondContact O-N 3.41Å; K7-K9 VanDerWaalsContact C-N 3.29Å; K7-K9 PolarHBondContact O-N 2.86Å; K9-M28 HydrophobicContact CB-CG 4.37Å; K9-L122 CarbonylContact O-C 3.55Å; K9-L122 WeakPolarHBondContact O-CA 3.22Å; K9-W123 HydrophobicContact CB-CG 4.47Å; K9-W123 VanDerWaalsContact O-CD1 3.3Å; K9-W123 PolarHBondContact O-N 3.37Å
10C96.4Very high84.7Confident38 Ų3878.5 Ų78.526%0.25741%0.405SS..BIsolated β-bridgetrans-76139175.4-53.50000110.7T12 L120 L121 W123C10-T12 PolarHBondContact O-OG1 2.81Å; C10-L120 VanDerWaalsContact SG-CD1 3.59Å; C10-L121 WeakPolarHBondContact CA-O 3.46Å; C10-W123 PolarHBondContact O-NE1 2.96Å
11V97.6Very high85.3Confident0 Ų075.7 Ų75.70%039%0.392CS..PPolyproline II helixtrans-78.3130.7170-172.50000108.3T25 R112 L121 W123 L126V11-T25 WeakPolarHBondContact CG1-O 3.31Å; V11-R112 PolarHBondContact O-N 2.92Å; V11-L121 HydrophobicContact CB-CB 4.3Å; V11-L121 HydrophobicContact CB-CD2 4Å; V11-L121 HydrophobicContact CB-CG 4.02Å; V11-L121 HydrophobicContact CG1-CD2 4.23Å; V11-L121 HydrophobicContact CG2-CB 4.42Å; V11-L121 HydrophobicContact CG2-CD2 4.1Å; V11-L121 HydrophobicContact CG2-CG 3.79Å; V11-L121 PolarHBondContact N-O 3.26Å; V11-W123 HydrophobicContact CG2-CD2 4.37Å; V11-W123 HydrophobicContact CG2-CG 4.06Å; V11-L126 HydrophobicContact CG1-CD1 4.2Å; V11-L126 HydrophobicContact CG1-CD2 4.3Å; V11-L126 HydrophobicContact CG2-CD1 3.57Å; V11-L126 HydrophobicContact CG2-CD2 4.04Å; V11-L126 HydrophobicContact CG2-CG 3.77Å
12T97.6Very high88.2Confident3 Ų368 Ų682%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-121.4135-170.9-53.40000110C10 G27 F41 T109 N111C10-T12 PolarHBondContact O-OG1 2.81Å; T12-G27 WeakPolarHBondContact CB-O 3.35Å; T12-G27 PolarHBondContact N-O 2.83Å; T12-G27 WeakPolarHBondContact O-CA 3.42Å; T12-G27 PolarHBondContact O-N 2.78Å; T12-F41 HydrophobicContact CG2-CD1 4.33Å; T12-F41 HydrophobicContact CG2-CE1 4.1Å; T12-T109 VanDerWaalsContact CG2-CB 3.46Å; T12-T109 HydrophobicContact CG2-CG2 3.92Å; T12-N111 PolarHBondContact OG1-OD1 3.02Å
13Q98.1Very high91.1Very high53 Ų5363 Ų6325%0.24832%0.32CS..EExtended strand (participates in β ladder)trans-80.1134164.2-170.8-174.8-69.500108.9N15 L22 T109 L110 R112Q13-N15 WeakPolarHBondContact CG-OD1 3.33Å; Q13-N15 PolarHBondContact NE2-ND2 2.87Å; Q13-N15 PolarHBondContact NE2-OD1 3.41Å; Q13-L22 HydrophobicContact CG-CD1 3.3Å; Q13-T109 VanDerWaalsContact O-CA 3.22Å; Q13-T109 WeakPolarHBondContact O-CA 3.31Å; Q13-L110 HydrophobicContact CB-CB 4.48Å; Q13-L110 PolarHBondContact N-O 3.2Å; Q13-L110 PolarHBondContact O-N 3.19Å; Q13-R112 HydrophobicContact CB-CG 4.31Å
14V98.5Very high93.6Very high0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-117127-179.6-1740000109.1L23 C24 F41 F102 V107 T109V14-L23 HydrophobicContact CG1-CD1 4.45Å; V14-L23 WeakPolarHBondContact O-CA 3.3Å; V14-L23 WeakPolarHBondContact O-CB 3.4Å; V14-L23 PolarHBondContact O-N 3.06Å; V14-C24 PolarHBondContact N-O 2.86Å; V14-C24 PolarHBondContact O-N 3.02Å; V14-F41 HydrophobicContact CG2-CB 4.15Å; V14-F41 HydrophobicContact CG2-CG 4.44Å; V14-F102 HydrophobicContact CG1-CB 4.31Å; V14-F102 HydrophobicContact CG1-CD2 4.22Å; V14-F102 HydrophobicContact CG1-CG 4.12Å; V14-V107 HydrophobicContact CG1-CB 3.58Å; V14-V107 HydrophobicContact CG1-CG1 3.71Å; V14-V107 HydrophobicContact CG1-CG2 3.75Å; V14-T109 HydrophobicContact CG1-CG2 4.44Å; V14-T109 HydrophobicContact CG2-CG2 4.19Å
15N98.7Very high95.4Very high34 Ų3458.4 Ų58.418%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-122.7145.8-178.9-63.915.5000110Q13 I17 S21 V107 S108Q13-N15 WeakPolarHBondContact CG-OD1 3.33Å; Q13-N15 PolarHBondContact NE2-ND2 2.87Å; Q13-N15 PolarHBondContact NE2-OD1 3.41Å; N15-I17 PolarHBondContact O-N 2.56Å; N15-S21 CarbonylContact C-O 3.54Å; N15-S21 WeakPolarHBondContact CA-O 3.43Å; N15-V107 CarbonylContact O-C 3.55Å; N15-V107 WeakPolarHBondContact O-CA 3.12Å; N15-V107 WeakPolarHBondContact O-CB 3.25Å; N15-S108 PolarHBondContact N-O 2.8Å; N15-S108 PolarHBondContact O-N 2.92Å
16C98.8Very high96.6Very high0 Ų054.8 Ų54.80%027%0.269CS..EExtended strand (participates in β ladder)trans-63.8125.5172.4177.40000110.3Y18 C19 E20 S21 L23 C72 C75 V79C16-Y18 PolarHBondContact O-N 2.96Å; C16-C19 VanDerWaalsContact SG-SG 3.62Å; C16-E20 WeakPolarHBondContact O-CA 3.2Å; C16-E20 PolarHBondContact O-N 3.29Å; C16-S21 PolarHBondContact N-O 3.13Å; C16-L23 HydrophobicContact CB-CD1 4.07Å; C16-L23 HydrophobicContact CB-CD2 4.09Å; C16-L23 HydrophobicContact CB-CG 4.13Å; C16-C72 HydrophobicContact CB-CB 4.35Å; C16-C75 VanDerWaalsContact SG-SG 3.64Å; C16-V79 HydrophobicContact CB-CG1 4.43Å
17I98.6Very high97.1Very high89 Ų8951.9 Ų51.946%0.45626%0.257SS..THydrogen-bonded Turntrans-68.6-24.3-179.6-159.3167.8000112.6N15 A106N15-I17 PolarHBondContact O-N 2.56Å; I17-A106 WeakPolarHBondContact CG2-O 3.43Å; I17-A106 PolarHBondContact N-O 2.63Å; I17-A106 VanDerWaalsContact N-O 3.13Å
18Y98.6Very high97.5Very high122 Ų12246 Ų4648%0.47823%0.231SC..THydrogen-bonded Turntrans-80.8-27.8-175-53.1-77000114.1C16 N77 A106C16-Y18 PolarHBondContact O-N 2.96Å; Y18-N77 VanDerWaalsContact CB-ND2 3.34Å; Y18-N77 WeakPolarHBondContact CB-ND2 3.5Å; Y18-N77 HydrophobicContact CD1-CB 4.5Å; Y18-N77 HydrophobicContact CD2-CB 3.4Å; Y18-N77 HydrophobicContact CE2-CB 3.66Å; Y18-N77 HydrophobicContact CG-CB 3.87Å; Y18-A106 HydrophobicContact CE2-CB 4.03Å
19C98.5Very high97.6Very high29 Ų2944.9 Ų44.920%0.19622%0.221CC..THydrogen-bonded Turntrans-143.28.6-174.471.20000114.5C16 S21 K74 C75C16-C19 VanDerWaalsContact SG-SG 3.62Å; C19-S21 PolarHBondContact O-N 3.46Å; C19-S21 PolarHBondContact O-OG 3.15Å; C19-S21 PolarHBondContact SG-OG 2.71Å; C19-K74 PolarHBondContact O-NZ 3.25Å; C19-K74 VanDerWaalsContact O-NZ 3.1Å; C19-C75 HydrophobicContact CB-CB 3.73Å
20E98.3Very high97.5Very high159 Ų15940.3 Ų40.374%0.74320%0.203SC*.  trans61.15.3176.3-56.9175.5-176.700115.4C16 L22C16-E20 WeakPolarHBondContact O-CA 3.2Å; C16-E20 PolarHBondContact O-N 3.29Å; E20-L22 PolarHBondContact O-N 2.99Å
21S98.1Very high97.3Very high19 Ų1941.7 Ų41.713%0.13321%0.21CC..  trans-65.1137.1-179.4-50.90000110.8N15 C16 C19 L23 K74N15-S21 CarbonylContact C-O 3.54Å; N15-S21 WeakPolarHBondContact CA-O 3.43Å; C16-S21 PolarHBondContact N-O 3.13Å; C19-S21 PolarHBondContact O-N 3.46Å; C19-S21 PolarHBondContact O-OG 3.15Å; C19-S21 PolarHBondContact SG-OG 2.71Å; S21-L23 PolarHBondContact O-N 2.84Å; S21-K74 WeakPolarHBondContact OG-CB 3.18Å; S21-K74 WeakPolarHBondContact OG-CD 3.39Å; S21-K74 WeakPolarHBondContact OG-CE 3.34Å; S21-K74 VanDerWaalsContact OG-CG 3.27Å; S21-K74 WeakPolarHBondContact OG-CG 3.46Å; S21-K74 PolarHBondContact OG-NZ 3.22Å
22L98.4Very high96.9Very high79 Ų7944.1 Ų44.141%0.41422%0.223SC..EExtended strand (participates in β ladder)trans-60.4125.8172.2178.364.1000110.2Q13 E20 C24 T25 T50Q13-L22 HydrophobicContact CG-CD1 3.3Å; E20-L22 PolarHBondContact O-N 2.99Å; L22-C24 WeakPolarHBondContact CD1-O 3.45Å; L22-T25 HydrophobicContact CD1-CG2 3.92Å; L22-T25 HydrophobicContact CD2-CG2 3.82Å; L22-T25 HydrophobicContact CG-CG2 4.36Å; L22-T50 VanDerWaalsContact O-CG2 3.29Å; L22-T50 WeakPolarHBondContact O-CG2 3.22Å
23L98.4Very high96.4Very high4 Ų448.2 Ų48.22%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-99.7-48.7175.7-60.2179.2000111V14 C16 S21 T50 V51 C72 V79 F102 V107V14-L23 HydrophobicContact CG1-CD1 4.45Å; V14-L23 WeakPolarHBondContact O-CA 3.3Å; V14-L23 WeakPolarHBondContact O-CB 3.4Å; V14-L23 PolarHBondContact O-N 3.06Å; C16-L23 HydrophobicContact CB-CD1 4.07Å; C16-L23 HydrophobicContact CB-CD2 4.09Å; C16-L23 HydrophobicContact CB-CG 4.13Å; S21-L23 PolarHBondContact O-N 2.84Å; L23-T50 WeakPolarHBondContact O-CB 3.35Å; L23-T50 PolarHBondContact O-OG1 2.86Å; L23-V51 HydrophobicContact CD2-CG1 3.85Å; L23-C72 HydrophobicContact CD2-CB 4.16Å; L23-V79 HydrophobicContact CD1-CB 4Å; L23-V79 HydrophobicContact CD1-CG1 4.09Å; L23-V79 HydrophobicContact CD1-CG2 4.02Å; L23-F102 HydrophobicContact CB-CE1 3.99Å; L23-F102 HydrophobicContact CB-CZ 4.26Å; L23-F102 HydrophobicContact CD1-CD1 4Å; L23-F102 HydrophobicContact CD1-CE1 4.01Å; L23-V107 HydrophobicContact CD1-CG1 3.79Å
24C97.5Very high95.8Very high13 Ų1349.2 Ų49.29%0.08826%0.261CS..EExtended strand (participates in β ladder)trans-153.4159.7172.576.40000112V14 L22 F102V14-C24 PolarHBondContact N-O 2.86Å; V14-C24 PolarHBondContact O-N 3.02Å; L22-C24 WeakPolarHBondContact CD1-O 3.45Å; C24-F102 HydrophobicContact CB-CE2 4.43Å; C24-F102 HydrophobicContact CB-CZ 4.44Å
25T96.6Very high95.2Very high57 Ų5752.6 Ų52.635%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-109.5-2176.9580000113.1V11 L22 R112V11-T25 WeakPolarHBondContact CG1-O 3.31Å; L22-T25 HydrophobicContact CD1-CG2 3.92Å; L22-T25 HydrophobicContact CD2-CG2 3.82Å; L22-T25 HydrophobicContact CG-CG2 4.36Å; T25-R112 WeakPolarHBondContact O-CD 3.36Å; T25-R112 PolarHBondContact O-NH1 3.06Å
26R96.2Very high94.6Very high28 Ų2855.2 Ų55.211%0.10630%0.297CS..EExtended strand (participates in β ladder)trans-121.951.8179.7-68.2176.268.1114-2110.6T43 D44 I45 W123 L126 P127R26-T43 PolarHBondContact O-OG1 3.29Å; R26-D44 IonicContact CZ-OD2 3.25Å; R26-D44 IonicContact NE-OD1 2.82Å; R26-D44 PolarHBondContact NE-OD1 3.09Å; R26-D44 IonicContact NE-OD2 2.69Å; R26-D44 PolarHBondContact NE-OD2 2.83Å; R26-D44 IonicContact NH2-OD2 3.22Å; R26-D44 PolarHBondContact NH2-OD2 2.91Å; R26-I45 VanDerWaalsContact CD-CD1 3.47Å; R26-W123 HydrophobicContact CB-CH2 4.18Å; R26-W123 WeakPolarHBondContact O-CH2 3.35Å; R26-W123 WeakPolarHBondContact O-CZ2 3.44Å; R26-L126 HydrophobicContact CG-CD1 4.47Å; R26-P127 PolarHBondContact NH1-O 2.85Å; R26-P127 PolarHBondContact NH2-O 3.37Å
27G97.3Very high94.3Very high0 Ų062.9 Ų62.90%033%0.333CS..EExtended strand (participates in β ladder)trans-81.4143.3174.600000112.5T12 S42 W123T12-G27 WeakPolarHBondContact CB-O 3.35Å; T12-G27 PolarHBondContact N-O 2.83Å; T12-G27 WeakPolarHBondContact O-CA 3.42Å; T12-G27 PolarHBondContact O-N 2.78Å; G27-S42 CarbonylContact C-O 3.54Å; G27-S42 WeakPolarHBondContact CA-O 3.01Å; G27-W123 WeakPolarHBondContact O-CZ2 3.26Å; G27-W123 PolarHBondContact O-NE1 2.96Å
28M97.2Very high93.9Very high5 Ų562 Ų623%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-121.6127.3172.8-169.8-178.1-71.300108.4F6 K9 A30 F41 S42 N96 W123F6-M28 HydrophobicContact CB-CE 3.78Å; F6-M28 HydrophobicContact CB-SD 4.1Å; F6-M28 HydrophobicContact CD1-SD 4.16Å; F6-M28 HydrophobicContact CG-CE 4.41Å; F6-M28 HydrophobicContact CG-SD 4.21Å; K9-M28 HydrophobicContact CB-CG 4.37Å; M28-A30 PolarHBondContact O-N 3.49Å; M28-F41 CarbonylContact O-C 3.54Å; M28-F41 VanDerWaalsContact O-CA 3.26Å; M28-F41 WeakPolarHBondContact O-CA 3.35Å; M28-S42 PolarHBondContact N-O 2.86Å; M28-S42 PolarHBondContact O-N 3.18Å; M28-N96 HydrophobicContact SD-CB 4.05Å; M28-N96 PolarHBondContact SD-ND2 3.16Å; M28-W123 HydrophobicContact CB-CZ2 3.55Å; M28-W123 HydrophobicContact CE-CB 4.34Å; M28-W123 HydrophobicContact CE-CD2 3.29Å; M28-W123 VanDerWaalsContact CE-CE2 3.46Å; M28-W123 HydrophobicContact CE-CE3 3.72Å; M28-W123 HydrophobicContact CE-CG 3.56Å; M28-W123 HydrophobicContact CE-CH2 4.39Å; M28-W123 HydrophobicContact CE-CZ2 4.04Å; M28-W123 HydrophobicContact CE-CZ3 4.24Å; M28-W123 HydrophobicContact CG-CZ2 4.45Å
29K95.9Very high93.7Very high100 Ų10060.2 Ų60.244%0.43533%0.325SS..EExtended strand (participates in β ladder)trans-64.6128.4168.7-172172.2-179.2172.30109.6E39 F41K29-E39 WeakPolarHBondContact CE-OE1 3.16Å; K29-E39 WeakPolarHBondContact CE-OE2 3.15Å; K29-E39 IonicContact NZ-OE1 2.77Å; K29-E39 PolarHBondContact NZ-OE1 2.9Å; K29-E39 IonicContact NZ-OE2 3.4Å; K29-E39 PolarHBondContact NZ-OE2 3.31Å; K29-F41 HydrophobicContact CB-CD1 4.11Å; K29-F41 HydrophobicContact CB-CE1 3.79Å; K29-F41 HydrophobicContact CG-CE1 4.06Å; K29-F41 HydrophobicContact CG-CZ 4.39Å
30A92.8Very high93.6Very high15 Ų1559.1 Ų59.112%0.12432%0.317CS..EExtended strand (participates in β ladder)trans-135.5172.6-177.700000110.6M28 L40 M101M28-A30 PolarHBondContact O-N 3.49Å; A30-L40 PolarHBondContact N-O 2.87Å; A30-L40 PolarHBondContact O-N 3.07Å; A30-L40 VanDerWaalsContact O-O 3.05Å; A30-M101 HydrophobicContact CB-CE 4.23Å
31V92.3Very high93.6Very high66 Ų6652.4 Ų52.440%0.429%0.285SS..EExtended strand (participates in β ladder)trans-131.9154.3171.6-62.80000109.1T36 I38V31-T36 WeakPolarHBondContact CG1-O 3.33Å; V31-T36 HydrophobicContact CG2-CG2 4.11Å; V31-I38 VanDerWaalsContact CA-O 3.31Å; V31-I38 WeakPolarHBondContact CA-O 3.08Å
32L89.7Confident93.6Very high51 Ų5151.5 Ų51.527%0.26728%0.279SS..  trans-65.9138.8173.8-74.2178.2000110.9A34 D35 I38 L40 Y81L32-A34 PolarHBondContact O-N 2.81Å; L32-D35 WeakPolarHBondContact CB-O 3.47Å; L32-D35 CarbonylContact O-C 3.47Å; L32-D35 VanDerWaalsContact O-C 3.23Å; L32-D35 PolarHBondContact O-N 3.3Å; L32-D35 VanDerWaalsContact O-O 3.11Å; L32-I38 HydrophobicContact CB-CB 4.39Å; L32-I38 HydrophobicContact CD1-CB 3.83Å; L32-I38 HydrophobicContact CD1-CD1 3.84Å; L32-I38 HydrophobicContact CD1-CG1 4.41Å; L32-I38 HydrophobicContact CD1-CG2 3.6Å; L32-I38 HydrophobicContact CG-CB 4.17Å; L32-I38 HydrophobicContact CG-CG2 4Å; L32-I38 PolarHBondContact N-O 2.86Å; L32-I38 VanDerWaalsContact N-O 3.09Å; L32-L40 HydrophobicContact CD1-CD1 4.41Å; L32-L40 HydrophobicContact CD2-CD1 3.35Å; L32-L40 HydrophobicContact CG-CD1 3.55Å; L32-L40 HydrophobicContact CG-CG 4.4Å; L32-Y81 VanDerWaalsContact CD2-OH 3.29Å; L32-Y81 WeakPolarHBondContact CD2-OH 3.5Å
33L86.4Confident93.5Very high90 Ų9047.8 Ų47.847%0.47126%0.259SS..SBendtrans-66.3-29.9176.2-62.1180000112.7C90 C94 N95L33-C90 HydrophobicContact CD1-CB 4.41Å; L33-C94 WeakPolarHBondContact CD2-O 3.38Å; L33-N95 HydrophobicContact CD1-CB 4.29Å
34A84.5Confident93.3Very high73 Ų7349.7 Ų49.760%0.60327%0.27SS*.SBendtrans-83.4-20.8179.200000112.9L32L32-A34 PolarHBondContact O-N 2.81Å
35D85.6Confident93.1Very high71 Ų7152.2 Ų52.238%0.3828%0.282SS..  trans-155.4103.9-178.2-172.8-12.5000110.1L32 E37 I38L32-D35 WeakPolarHBondContact CB-O 3.47Å; L32-D35 CarbonylContact O-C 3.47Å; L32-D35 VanDerWaalsContact O-C 3.23Å; L32-D35 PolarHBondContact O-N 3.3Å; L32-D35 VanDerWaalsContact O-O 3.11Å; D35-E37 PolarHBondContact O-N 3.33Å; D35-E37 WeakPolarHBondContact OD1-CB 3.03Å; D35-E37 PolarHBondContact OD1-N 2.9Å; D35-I38 HydrophobicContact CB-CD1 4.01Å; D35-I38 HydrophobicContact CB-CG1 4.21Å; D35-I38 PolarHBondContact O-N 3.28Å
36T87.6Confident93Very high90 Ų9052.4 Ų52.455%0.55228%0.284SS*.THydrogen-bonded Turntrans-74.9-9.8-17553.50000114.1V31 I38V31-T36 WeakPolarHBondContact CG1-O 3.33Å; V31-T36 HydrophobicContact CG2-CG2 4.11Å; T36-I38 VanDerWaalsContact C-N 3.27Å
37E90.9Very high92.8Very high161 Ų16151.6 Ų51.675%0.75228%0.282SS*.THydrogen-bonded Turntrans-77.7-19.2174.5-57.5-57.1120.900111.5D35 E39D35-E37 PolarHBondContact O-N 3.33Å; D35-E37 WeakPolarHBondContact OD1-CB 3.03Å; D35-E37 PolarHBondContact OD1-N 2.9Å; E37-E39 PolarHBondContact O-N 3.32Å
38I90.9Very high92.4Very high70 Ų7057.1 Ų57.136%0.35931%0.311SS..SBendtrans-85.9101.8176.9-59.1177.2000109V31 L32 D35 T36 L40V31-I38 VanDerWaalsContact CA-O 3.31Å; V31-I38 WeakPolarHBondContact CA-O 3.08Å; L32-I38 HydrophobicContact CB-CB 4.39Å; L32-I38 HydrophobicContact CD1-CB 3.83Å; L32-I38 HydrophobicContact CD1-CD1 3.84Å; L32-I38 HydrophobicContact CD1-CG1 4.41Å; L32-I38 HydrophobicContact CD1-CG2 3.6Å; L32-I38 HydrophobicContact CG-CB 4.17Å; L32-I38 HydrophobicContact CG-CG2 4Å; L32-I38 PolarHBondContact N-O 2.86Å; L32-I38 VanDerWaalsContact N-O 3.09Å; D35-I38 HydrophobicContact CB-CD1 4.01Å; D35-I38 HydrophobicContact CB-CG1 4.21Å; D35-I38 PolarHBondContact O-N 3.28Å; T36-I38 VanDerWaalsContact C-N 3.27Å; I38-L40 HydrophobicContact CG2-CD2 4.31Å; I38-L40 HydrophobicContact CG2-CG 4.33Å
39E94.9Very high92.3Very high85 Ų8568.2 Ų68.240%0.39735%0.353SS..EExtended strand (participates in β ladder)trans-77.3141.3172.2-58.4-165.5144.500111.6K29 E37 S104K29-E39 WeakPolarHBondContact CE-OE1 3.16Å; K29-E39 WeakPolarHBondContact CE-OE2 3.15Å; K29-E39 IonicContact NZ-OE1 2.77Å; K29-E39 PolarHBondContact NZ-OE1 2.9Å; K29-E39 IonicContact NZ-OE2 3.4Å; K29-E39 PolarHBondContact NZ-OE2 3.31Å; E37-E39 PolarHBondContact O-N 3.32Å; E39-S104 WeakPolarHBondContact O-CB 3.38Å; E39-S104 PolarHBondContact O-OG 3.41Å
40L96.7Very high92.4Very high6 Ų665.1 Ų65.13%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-141.9172.8177.4-61.2171.8000109.7A30 L32 I38 Y81 M101A30-L40 PolarHBondContact N-O 2.87Å; A30-L40 PolarHBondContact O-N 3.07Å; A30-L40 VanDerWaalsContact O-O 3.05Å; L32-L40 HydrophobicContact CD1-CD1 4.41Å; L32-L40 HydrophobicContact CD2-CD1 3.35Å; L32-L40 HydrophobicContact CG-CD1 3.55Å; L32-L40 HydrophobicContact CG-CG 4.4Å; I38-L40 HydrophobicContact CG2-CD2 4.31Å; I38-L40 HydrophobicContact CG2-CG 4.33Å; L40-Y81 HydrophobicContact CD1-CE1 4.48Å; L40-Y81 VanDerWaalsContact CD1-OH 3.25Å; L40-Y81 WeakPolarHBondContact CD1-OH 3.41Å; L40-M101 HydrophobicContact CB-CE 3.83Å; L40-M101 HydrophobicContact CD1-CE 3.74Å; L40-M101 HydrophobicContact CG-CE 4.47Å
41F97.9Very high92.6Very high17 Ų1764.6 Ų64.68%0.07534%0.338CS..EExtended strand (participates in β ladder)trans-119.2148.3164.5-64.2-91000110.1T12 V14 M28 K29 M101 F102 V107 T109T12-F41 HydrophobicContact CG2-CD1 4.33Å; T12-F41 HydrophobicContact CG2-CE1 4.1Å; V14-F41 HydrophobicContact CG2-CB 4.15Å; V14-F41 HydrophobicContact CG2-CG 4.44Å; M28-F41 CarbonylContact O-C 3.54Å; M28-F41 VanDerWaalsContact O-CA 3.26Å; M28-F41 WeakPolarHBondContact O-CA 3.35Å; K29-F41 HydrophobicContact CB-CD1 4.11Å; K29-F41 HydrophobicContact CB-CE1 3.79Å; K29-F41 HydrophobicContact CG-CE1 4.06Å; K29-F41 HydrophobicContact CG-CZ 4.39Å; F41-M101 CarbonylContact O-C 3.51Å; F41-M101 WeakPolarHBondContact O-CA 3.2Å; F41-F102 HydrophobicContact CB-CB 4.31Å; F41-F102 PolarHBondContact N-O 3Å; F41-F102 PolarHBondContact O-N 2.9Å; F41-V107 HydrophobicContact CD2-CG2 3.87Å; F41-V107 HydrophobicContact CE2-CG2 4.36Å; F41-T109 HydrophobicContact CD1-CG2 3.9Å; F41-T109 HydrophobicContact CD2-CG2 3.83Å; F41-T109 HydrophobicContact CE1-CG2 3.61Å; F41-T109 HydrophobicContact CE2-CG2 3.53Å; F41-T109 HydrophobicContact CG-CG2 4.01Å; F41-T109 HydrophobicContact CZ-CG2 3.41Å; F41-T109 VanDerWaalsContact CZ-CG2 3.41Å
42S97.4Very high92.9Very high0 Ų065.9 Ų65.90%034%0.343CS..EExtended strand (participates in β ladder)trans-133.7157177.470.70000112.4G27 M28 N96 H98 W100 M101G27-S42 CarbonylContact C-O 3.54Å; G27-S42 WeakPolarHBondContact CA-O 3.01Å; M28-S42 PolarHBondContact N-O 2.86Å; M28-S42 PolarHBondContact O-N 3.18Å; S42-N96 PolarHBondContact OG-ND2 3.34Å; S42-H98 PolarHBondContact OG-ND1 2.89Å; S42-W100 WeakPolarHBondContact CA-O 3.33Å; S42-W100 WeakPolarHBondContact CB-O 3.38Å; S42-M101 WeakPolarHBondContact CB-SD 3.41Å
43T97.1Very high93.3Very high1 Ų166.8 Ų66.81%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-130.2143.2178.3178.40000110.9R26 I45 H98 W100 F102R26-T43 PolarHBondContact O-OG1 3.29Å; T43-I45 WeakPolarHBondContact CG2-O 3.42Å; T43-I45 PolarHBondContact OG1-N 3.07Å; T43-I45 PolarHBondContact OG1-O 3.29Å; T43-H98 WeakPolarHBondContact O-CB 3.21Å; T43-W100 HydrophobicContact CG2-CB 3.51Å; T43-W100 HydrophobicContact CG2-CG 4.28Å; T43-W100 PolarHBondContact N-O 3.2Å; T43-W100 VanDerWaalsContact N-O 3.11Å; T43-F102 HydrophobicContact CG2-CE2 3.7Å; T43-F102 HydrophobicContact CG2-CZ 4.22Å
44D94.9Very high93.7Very high45 Ų4564.8 Ų64.824%0.24134%0.336CS..SBendtrans-77.9-23.217459.2-23.6000112R26 W123 L129R26-D44 IonicContact CZ-OD2 3.25Å; R26-D44 IonicContact NE-OD1 2.82Å; R26-D44 PolarHBondContact NE-OD1 3.09Å; R26-D44 IonicContact NE-OD2 2.69Å; R26-D44 PolarHBondContact NE-OD2 2.83Å; R26-D44 IonicContact NH2-OD2 3.22Å; R26-D44 PolarHBondContact NH2-OD2 2.91Å; D44-W123 HydrophobicContact CB-CH2 4.26Å; D44-W123 HydrophobicContact CB-CZ3 4.11Å; D44-W123 WeakPolarHBondContact OD1-CH2 3.19Å; D44-W123 WeakPolarHBondContact OD2-CZ3 3.16Å; D44-L129 HydrophobicContact CB-CD1 4.46Å
45I92.9Very high94Very high66 Ų6664.7 Ų64.734%0.33834%0.335SS..SBendtrans-99.8134.6179.4-57.1-175.4000111.3R26 T43 P47 L129R26-I45 VanDerWaalsContact CD-CD1 3.47Å; T43-I45 WeakPolarHBondContact CG2-O 3.42Å; T43-I45 PolarHBondContact OG1-N 3.07Å; T43-I45 PolarHBondContact OG1-O 3.29Å; I45-P47 VanDerWaalsContact O-CD 3.31Å; I45-P47 WeakPolarHBondContact O-CD 3.49Å; I45-L129 HydrophobicContact CD1-CD2 3.46Å; I45-L129 VanDerWaalsContact CD1-CD2 3.46Å; I45-L129 HydrophobicContact CG1-CD1 3.8Å; I45-L129 HydrophobicContact CG1-CD2 3.63Å; I45-L129 HydrophobicContact CG1-CG 4.39Å
46P93.3Very high94.4Very high61 Ų6166 Ų6640%0.39635%0.35SS..  trans-56.5118.8166.8-23.934.4000112.6N48 W100P46-N48 WeakPolarHBondContact CB-OD1 3.43Å; P46-N48 PolarHBondContact O-N 3.32Å; P46-W100 HydrophobicContact CB-CZ2 3.92Å
47P91.9Very high94.8Very high10 Ų1064.1 Ų64.17%0.06534%0.34CS..  trans-78.746-179.130.3-31.4000113.6I45 R49 T50 V51 W100 F102I45-P47 VanDerWaalsContact O-CD 3.31Å; I45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-R49 PolarHBondContact O-N 2.87Å; P47-T50 PolarHBondContact O-N 3.1Å; P47-T50 PolarHBondContact O-OG1 3.45Å; P47-V51 HydrophobicContact CB-CG2 3.92Å; P47-V51 HydrophobicContact CG-CG2 3.49Å; P47-V51 VanDerWaalsContact CG-CG2 3.49Å; P47-V51 PolarHBondContact O-N 2.93Å; P47-W100 VanDerWaalsContact CD-CE3 3.47Å; P47-W100 HydrophobicContact CG-CD2 4.08Å; P47-W100 HydrophobicContact CG-CE3 3.69Å; P47-W100 HydrophobicContact CG-CZ3 4.08Å; P47-F102 HydrophobicContact CB-CZ 4.39Å; P47-F102 HydrophobicContact CG-CZ 4.16Å
48N89.9Confident95.1Very high116 Ų11660.9 Ų60.962%0.6232%0.321SS*.THydrogen-bonded Turntrans-58.9-17.1-168-63.5-8.6000115.6P46P46-N48 WeakPolarHBondContact CB-OD1 3.43Å; P46-N48 PolarHBondContact O-N 3.32Å
49R94.6Very high95.4Very high238 Ų23860.5 Ų60.590%0.89833%0.325SS*.THydrogen-bonded Turntrans-103.4-5.8-178.5-62-172.1-178.4-152.20.7113.8P47P47-R49 PolarHBondContact O-N 2.87Å
50T97.8Very high95.3Very high36 Ų3657.8 Ų57.822%0.22131%0.314CS..THydrogen-bonded Turntrans-125.1-22-170.959.30000113.1L22 L23 P47 L73L22-T50 VanDerWaalsContact O-CG2 3.29Å; L22-T50 WeakPolarHBondContact O-CG2 3.22Å; L23-T50 WeakPolarHBondContact O-CB 3.35Å; L23-T50 PolarHBondContact O-OG1 2.86Å; P47-T50 PolarHBondContact O-N 3.1Å; P47-T50 PolarHBondContact O-OG1 3.45Å; T50-L73 PolarHBondContact O-N 2.75Å
51V98.1Very high95.1Very high4 Ų466.5 Ų66.52%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-136.2161.5174.2-52.90000110.8L23 P47 I70 A71 V79 W100 F102L23-V51 HydrophobicContact CD2-CG1 3.85Å; P47-V51 HydrophobicContact CB-CG2 3.92Å; P47-V51 HydrophobicContact CG-CG2 3.49Å; P47-V51 VanDerWaalsContact CG-CG2 3.49Å; P47-V51 PolarHBondContact O-N 2.93Å; V51-I70 HydrophobicContact CB-CB 4.25Å; V51-I70 HydrophobicContact CB-CD1 4.32Å; V51-I70 HydrophobicContact CG1-CD1 4.33Å; V51-I70 HydrophobicContact CG2-CB 4.13Å; V51-I70 HydrophobicContact CG2-CD1 3.88Å; V51-I70 HydrophobicContact CG2-CG2 4.48Å; V51-A71 CarbonylContact C-O 3.51Å; V51-A71 WeakPolarHBondContact CA-O 3.4Å; V51-A71 VanDerWaalsContact CB-O 3.3Å; V51-A71 WeakPolarHBondContact CB-O 3.17Å; V51-V79 HydrophobicContact CG1-CG2 3.83Å; V51-W100 HydrophobicContact CG2-CZ3 4.38Å; V51-F102 HydrophobicContact CG1-CE1 4.3Å
52D98.1Very high94.8Very high93 Ų9370 Ų7050%0.49738%0.381SS..EExtended strand (participates in β ladder)trans-141.3161.3171.4-162.5-1.3000110.2I70 A71 L73D52-I70 CarbonylContact O-C 3.54Å; D52-I70 VanDerWaalsContact O-CA 3.28Å; D52-I70 WeakPolarHBondContact O-CA 3.17Å; D52-A71 PolarHBondContact N-O 3.49Å; D52-A71 PolarHBondContact O-N 2.96Å; D52-L73 HydrophobicContact CB-CD2 3.66Å; D52-L73 HydrophobicContact CB-CG 4.17Å
53F97.6Very high94.5Very high69 Ų6971.7 Ų71.730%0.30339%0.393SS..EExtended strand (participates in β ladder)trans-68.2138.5179.3-64.8-59.9000112R68 D69 I70 H82 W100F53-R68 HydrophobicContact CB-CG 4.28Å; F53-R68 VanDerWaalsContact CB-CZ 3.49Å; F53-R68 HydrophobicContact CD1-CB 4.19Å; F53-R68 HydrophobicContact CD1-CG 3.94Å; F53-R68 HydrophobicContact CG-CG 4.38Å; F53-D69 WeakPolarHBondContact CA-O 3.36Å; F53-I70 HydrophobicContact CD1-CG2 3.79Å; F53-I70 HydrophobicContact CE1-CG2 4.04Å; F53-H82 HydrophobicContact CE1-CB 3.59Å; F53-H82 AromaticContact CE1-CD2 3.81Å; F53-H82 AromaticContact CE1-CG 3.89Å; F53-H82 HydrophobicContact CZ-CB 4.41Å; F53-H82 AromaticContact CZ-CD2 3.88Å; F53-W100 AromaticContact CE1-CH2 3.93Å; F53-W100 HydrophobicContact CE1-CH2 3.93Å; F53-W100 HydrophobicContact CE1-CZ3 4.07Å; F53-W100 HydrophobicContact CE2-CH2 4.48Å; F53-W100 AromaticContact CZ-CH2 3.64Å; F53-W100 HydrophobicContact CZ-CH2 3.64Å; F53-W100 HydrophobicContact CZ-CZ2 4.39Å; F53-W100 HydrophobicContact CZ-CZ3 4.25Å
54V95.6Very high94.4Very high49 Ų4980.2 Ų80.230%0.29743%0.425SS..EExtended strand (participates in β ladder)trans-127.6155.7170.5-64.40000110.2D69 A71 V78V54-D69 HydrophobicContact CG2-CB 3.75Å; V54-D69 PolarHBondContact N-O 3.01Å; V54-A71 HydrophobicContact CB-CB 4.45Å; V54-A71 HydrophobicContact CG1-CB 3.51Å; V54-A71 HydrophobicContact CG2-CB 4.07Å; V54-V78 HydrophobicContact CG2-CG2 4.01Å
55A90.3Very high94.4Very high71 Ų7178.5 Ų78.559%0.58742%0.416SS*.EExtended strand (participates in β ladder)trans58178.7-176.900000114.5R68A55-R68 PolarHBondContact O-NE 3.21Å; A55-R68 PolarHBondContact O-NH2 3.36Å
56S93.9Very high94.7Very high99 Ų9979.8 Ų79.869%0.69242%0.419SS*.EExtended strand (participates in β ladder)trans-80.4159.1173.1-580000110.6
57C96.5Very high94.9Very high50 Ų5077.4 Ų77.434%0.33840%0.403SS..EExtended strand (participates in β ladder)trans-64.5146.6173.1-60.70000111.2K66 L67C57-K66 HydrophobicContact CB-CD 4.17Å; C57-K66 HydrophobicContact CB-CG 3.92Å; C57-L67 CarbonylContact C-O 3.49Å; C57-L67 WeakPolarHBondContact CA-O 3.21Å
58Y97.1Very high95.2Very high93 Ų9381 Ų8137%0.36542%0.416SS..EExtended strand (participates in β ladder)trans-132.9162.5173.659.3-88.3000110.8K66 L67 D69Y58-K66 CarbonylContact O-C 3.6Å; Y58-K66 WeakPolarHBondContact O-CA 3.48Å; Y58-L67 HydrophobicContact CD2-CB 4.36Å; Y58-L67 HydrophobicContact CE1-CB 4.3Å; Y58-L67 HydrophobicContact CE2-CB 3.85Å; Y58-L67 HydrophobicContact CE2-CD1 3.93Å; Y58-L67 HydrophobicContact CE2-CG 4.32Å; Y58-L67 PolarHBondContact N-O 2.84Å; Y58-L67 PolarHBondContact O-N 2.83Å; Y58-D69 VanDerWaalsContact CE1-OD1 3.25Å; Y58-D69 WeakPolarHBondContact CE1-OD1 3.46Å; Y58-D69 PolarHBondContact OH-OD1 3.14Å
59S96.8Very high95.6Very high61 Ų6177.3 Ų77.343%0.42740%0.396SS..EExtended strand (participates in β ladder)trans-106.8133.7176.5-69.10000110.3C65S59-C65 WeakPolarHBondContact CA-O 3.26Å
60T93.9Very high95.7Very high29 Ų2966 Ų6618%0.17835%0.353CS..  trans-63.2142.5170.952.40000110.9C63 R64 C65 L67T60-C63 PolarHBondContact OG1-SG 3.13Å; T60-R64 WeakPolarHBondContact O-CA 3.29Å; T60-R64 PolarHBondContact O-N 3.49Å; T60-R64 PolarHBondContact OG1-N 3.42Å; T60-R64 VanDerWaalsContact OG1-N 3.13Å; T60-C65 PolarHBondContact N-O 3.22Å; T60-C65 PolarHBondContact OG1-N 2.94Å; T60-C65 PolarHBondContact OG1-O 2.84Å; T60-L67 HydrophobicContact CG2-CD1 3.37Å; T60-L67 HydrophobicContact CG2-CG 3.87Å
61E91.8Very high95.8Very high188 Ų18864.6 Ų64.688%0.87935%0.345SS*.THydrogen-bonded Turntrans-73.2-35.4177.4-62.6-173.9170.400111.9
62S90.6Very high95.8Very high91 Ų9164.5 Ų64.564%0.63635%0.345SS*.THydrogen-bonded Turntrans-73.6-40-174.156.40000114.1
63C91.8Very high95.8Very high36 Ų3664.6 Ų64.624%0.24335%0.345CS..THydrogen-bonded Turntrans-132.10.6-175.566.10000114.6T60 C65 C87T60-C63 PolarHBondContact OG1-SG 3.13Å; C63-C65 PolarHBondContact O-N 3Å; C63-C65 VanDerWaalsContact O-N 3.07Å; C63-C65 PolarHBondContact SG-SG 2.88Å; C63-C87 WeakPolarHBondContact O-CB 3.25Å; C63-C87 PolarHBondContact O-SG 3.37Å
64R94.9Very high95.9Very high180 Ų18068.3 Ų68.368%0.67936%0.361SS*.  trans59.713.4179.9-51.5-68.1-75.7-172.7-4.8114.5T60 K66T60-R64 WeakPolarHBondContact O-CA 3.29Å; T60-R64 PolarHBondContact O-N 3.49Å; T60-R64 PolarHBondContact OG1-N 3.42Å; T60-R64 VanDerWaalsContact OG1-N 3.13Å; R64-K66 PolarHBondContact O-N 2.88Å
65C95.9Very high96Very high8 Ų868.2 Ų68.25%0.05436%0.362CS..  trans-56.4135.9166.8-72.60000109.4S59 T60 C63 L67 A85 C87S59-C65 WeakPolarHBondContact CA-O 3.26Å; T60-C65 PolarHBondContact N-O 3.22Å; T60-C65 PolarHBondContact OG1-N 2.94Å; T60-C65 PolarHBondContact OG1-O 2.84Å; C63-C65 PolarHBondContact O-N 3Å; C63-C65 VanDerWaalsContact O-N 3.07Å; C63-C65 PolarHBondContact SG-SG 2.88Å; C65-L67 HydrophobicContact CB-CD2 4.17Å; C65-A85 WeakPolarHBondContact CA-O 3.34Å; C65-C87 PolarHBondContact SG-N 2.84Å; C65-C87 VanDerWaalsContact SG-SG 3.69Å
66K97.7Very high96.4Very high93 Ų9367.4 Ų67.440%0.40436%0.361SS..EExtended strand (participates in β ladder)trans-87121.6174.1-170.2176.9179.6-179.90108.7C57 Y58 R64 V84 A85C57-K66 HydrophobicContact CB-CD 4.17Å; C57-K66 HydrophobicContact CB-CG 3.92Å; Y58-K66 CarbonylContact O-C 3.6Å; Y58-K66 WeakPolarHBondContact O-CA 3.48Å; R64-K66 PolarHBondContact O-N 2.88Å; K66-V84 HydrophobicContact CB-CB 4.46Å; K66-V84 HydrophobicContact CD-CG1 4.27Å; K66-V84 HydrophobicContact CG-CB 4.26Å; K66-V84 PolarHBondContact O-N 3.03Å; K66-A85 HydrophobicContact CB-CB 3.96Å; K66-A85 PolarHBondContact N-O 3.31Å; K66-A85 PolarHBondContact O-N 3.37Å; K66-A85 VanDerWaalsContact O-N 3.09Å
67L97.6Very high96.6Very high12 Ų1265.9 Ų65.96%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-117.2161-178-51.9-174.3000110.4C57 Y58 T60 C65 Y81 H82 V83C57-L67 CarbonylContact C-O 3.49Å; C57-L67 WeakPolarHBondContact CA-O 3.21Å; Y58-L67 HydrophobicContact CD2-CB 4.36Å; Y58-L67 HydrophobicContact CE1-CB 4.3Å; Y58-L67 HydrophobicContact CE2-CB 3.85Å; Y58-L67 HydrophobicContact CE2-CD1 3.93Å; Y58-L67 HydrophobicContact CE2-CG 4.32Å; Y58-L67 PolarHBondContact N-O 2.84Å; Y58-L67 PolarHBondContact O-N 2.83Å; T60-L67 HydrophobicContact CG2-CD1 3.37Å; T60-L67 HydrophobicContact CG2-CG 3.87Å; C65-L67 HydrophobicContact CB-CD2 4.17Å; L67-Y81 HydrophobicContact CB-CD2 4.47Å; L67-Y81 HydrophobicContact CD1-CD2 3.85Å; L67-Y81 HydrophobicContact CD1-CE2 4.03Å; L67-Y81 HydrophobicContact CD1-CG 4.28Å; L67-Y81 HydrophobicContact CD2-CD2 3.97Å; L67-Y81 HydrophobicContact CD2-CE2 4.17Å; L67-Y81 HydrophobicContact CG-CD2 4.33Å; L67-H82 CarbonylContact C-O 3.55Å; L67-H82 VanDerWaalsContact CA-O 3.28Å; L67-H82 WeakPolarHBondContact CA-O 3.14Å; L67-V83 HydrophobicContact CD2-CB 4.12Å; L67-V83 HydrophobicContact CD2-CG1 4.18Å; L67-V83 HydrophobicContact CD2-CG2 3.77Å
68R98Very high96.7Very high85 Ų8566.5 Ų66.532%0.32135%0.347SS..EExtended strand (participates in β ladder)trans-142.1132.2167.5-168.7173.3-170.2-163.3-4.8109.2F53 A55 Y81 H82 V84F53-R68 HydrophobicContact CB-CG 4.28Å; F53-R68 VanDerWaalsContact CB-CZ 3.49Å; F53-R68 HydrophobicContact CD1-CB 4.19Å; F53-R68 HydrophobicContact CD1-CG 3.94Å; F53-R68 HydrophobicContact CG-CG 4.38Å; A55-R68 PolarHBondContact O-NE 3.21Å; A55-R68 PolarHBondContact O-NH2 3.36Å; R68-Y81 CarbonylContact O-C 3.56Å; R68-Y81 VanDerWaalsContact O-CA 3.31Å; R68-Y81 WeakPolarHBondContact O-CA 3.05Å; R68-H82 PolarHBondContact N-O 2.75Å; R68-H82 PolarHBondContact O-N 2.83Å; R68-V84 HydrophobicContact CB-CG2 3.71Å
69D98.3Very high96.8Very high39 Ų3962 Ų6221%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-68.9150.9-178.7-68.7-17.4000111F53 V54 Y58 V78F53-D69 WeakPolarHBondContact CA-O 3.36Å; V54-D69 HydrophobicContact CG2-CB 3.75Å; V54-D69 PolarHBondContact N-O 3.01Å; Y58-D69 VanDerWaalsContact CE1-OD1 3.25Å; Y58-D69 WeakPolarHBondContact CE1-OD1 3.46Å; Y58-D69 PolarHBondContact OH-OD1 3.14Å; D69-V78 HydrophobicContact CB-CG1 4.25Å
70I98.4Very high96.8Very high0 Ų059.1 Ų59.10%031%0.309CS..EExtended strand (participates in β ladder)trans-122.813817655.8160.8000110.1V51 D52 F53 V78 V79 G80 H82 W100 F102V51-I70 HydrophobicContact CB-CB 4.25Å; V51-I70 HydrophobicContact CB-CD1 4.32Å; V51-I70 HydrophobicContact CG1-CD1 4.33Å; V51-I70 HydrophobicContact CG2-CB 4.13Å; V51-I70 HydrophobicContact CG2-CD1 3.88Å; V51-I70 HydrophobicContact CG2-CG2 4.48Å; D52-I70 CarbonylContact O-C 3.54Å; D52-I70 VanDerWaalsContact O-CA 3.28Å; D52-I70 WeakPolarHBondContact O-CA 3.17Å; F53-I70 HydrophobicContact CD1-CG2 3.79Å; F53-I70 HydrophobicContact CE1-CG2 4.04Å; I70-V78 WeakPolarHBondContact O-CA 3.34Å; I70-V79 HydrophobicContact CD1-CG2 4.38Å; I70-V79 HydrophobicContact CG1-CG2 4.39Å; I70-V79 PolarHBondContact O-N 2.77Å; I70-G80 WeakPolarHBondContact CG1-O 3.47Å; I70-G80 PolarHBondContact N-O 3.19Å; I70-H82 HydrophobicContact CG2-CB 4.37Å; I70-W100 HydrophobicContact CD1-CE3 4.33Å; I70-W100 HydrophobicContact CG2-CE3 4.33Å; I70-W100 HydrophobicContact CG2-CZ3 3.86Å; I70-F102 HydrophobicContact CD1-CD1 4.24Å; I70-F102 HydrophobicContact CD1-CE1 3.94Å
71A98.6Very high97Very high7 Ų759 Ų596%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-116146.2178.400000111.3V51 D52 V54 L73 N77V51-A71 CarbonylContact C-O 3.51Å; V51-A71 WeakPolarHBondContact CA-O 3.4Å; V51-A71 VanDerWaalsContact CB-O 3.3Å; V51-A71 WeakPolarHBondContact CB-O 3.17Å; D52-A71 PolarHBondContact N-O 3.49Å; D52-A71 PolarHBondContact O-N 2.96Å; V54-A71 HydrophobicContact CB-CB 4.45Å; V54-A71 HydrophobicContact CG1-CB 3.51Å; V54-A71 HydrophobicContact CG2-CB 4.07Å; A71-L73 PolarHBondContact O-N 2.81Å; A71-N77 CarbonylContact C-O 3.59Å; A71-N77 VanDerWaalsContact CA-O 3.25Å; A71-N77 WeakPolarHBondContact CA-O 3.01Å
72C98.8Very high97.3Very high2 Ų251.6 Ų51.61%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-63.7124.2174.61780000110.5C16 L23 K74 C75 G76 N77 V79C16-C72 HydrophobicContact CB-CB 4.35Å; L23-C72 HydrophobicContact CD2-CB 4.16Å; C72-K74 PolarHBondContact O-N 3.25Å; C72-K74 VanDerWaalsContact O-N 3.16Å; C72-C75 PolarHBondContact O-N 3.43Å; C72-G76 WeakPolarHBondContact O-CA 3.31Å; C72-G76 PolarHBondContact O-N 2.98Å; C72-N77 PolarHBondContact N-O 3.26Å; C72-V79 HydrophobicContact CB-CG1 3.99Å
73L98.3Very high97.6Very high95 Ų9548.2 Ų48.250%0.49725%0.246SC..THydrogen-bonded Turntrans-62.4-24.3-179.1-81.2173.1000113.6T50 D52 A71T50-L73 PolarHBondContact O-N 2.75Å; D52-L73 HydrophobicContact CB-CD2 3.66Å; D52-L73 HydrophobicContact CB-CG 4.17Å; A71-L73 PolarHBondContact O-N 2.81Å
74K98.4Very high97.9Very high146 Ų14649.4 Ų49.464%0.63525%0.252SS*.THydrogen-bonded Turntrans-79.8-33.9179.6174.5142.2159.1-98.30113.4C19 S21 C72C19-K74 PolarHBondContact O-NZ 3.25Å; C19-K74 VanDerWaalsContact O-NZ 3.1Å; S21-K74 WeakPolarHBondContact OG-CB 3.18Å; S21-K74 WeakPolarHBondContact OG-CD 3.39Å; S21-K74 WeakPolarHBondContact OG-CE 3.34Å; S21-K74 VanDerWaalsContact OG-CG 3.27Å; S21-K74 WeakPolarHBondContact OG-CG 3.46Å; S21-K74 PolarHBondContact OG-NZ 3.22Å; C72-K74 PolarHBondContact O-N 3.25Å; C72-K74 VanDerWaalsContact O-N 3.16Å
75C98.4Very high98Very high47 Ų4743 Ų4332%0.31824%0.237SC..THydrogen-bonded Turntrans-128.5-5.9-173.873.50000115.7C16 C19 C72 N77C16-C75 VanDerWaalsContact SG-SG 3.64Å; C19-C75 HydrophobicContact CB-CB 3.73Å; C72-C75 PolarHBondContact O-N 3.43Å; C75-N77 PolarHBondContact O-N 3.22Å; C75-N77 PolarHBondContact SG-ND2 3.14Å
76G98.1Very high98Very high55 Ų5544.5 Ų44.557%0.56725%0.247SC*.  trans75.2-4.3177.600000116.1C72C72-G76 WeakPolarHBondContact O-CA 3.31Å; C72-G76 PolarHBondContact O-N 2.98Å
77N98.6Very high97.8Very high67 Ų6741.1 Ų41.136%0.35824%0.235SC..  trans-72.5141.3176.9-70.2-56.5000111.2Y18 A71 C72 C75 V79Y18-N77 VanDerWaalsContact CB-ND2 3.34Å; Y18-N77 WeakPolarHBondContact CB-ND2 3.5Å; Y18-N77 HydrophobicContact CD1-CB 4.5Å; Y18-N77 HydrophobicContact CD2-CB 3.4Å; Y18-N77 HydrophobicContact CE2-CB 3.66Å; Y18-N77 HydrophobicContact CG-CB 3.87Å; A71-N77 CarbonylContact C-O 3.59Å; A71-N77 VanDerWaalsContact CA-O 3.25Å; A71-N77 WeakPolarHBondContact CA-O 3.01Å; C72-N77 PolarHBondContact N-O 3.26Å; C75-N77 PolarHBondContact O-N 3.22Å; C75-N77 PolarHBondContact SG-ND2 3.14Å; N77-V79 PolarHBondContact O-N 3.43Å
78V98.4Very high97.7Very high62 Ų6248.1 Ų48.138%0.37627%0.265SS..EExtended strand (participates in β ladder)trans-64.2130.6172.2178.50000109.2V54 D69 I70V54-V78 HydrophobicContact CG2-CG2 4.01Å; D69-V78 HydrophobicContact CB-CG1 4.25Å; I70-V78 WeakPolarHBondContact O-CA 3.34Å
79V98.6Very high97.5Very high0 Ų048.2 Ų48.20%028%0.276CS..EExtended strand (participates in β ladder)trans-121.8-5.8-178-680000113.3C16 L23 V51 I70 C72 N77 F102 N103 V107C16-V79 HydrophobicContact CB-CG1 4.43Å; L23-V79 HydrophobicContact CD1-CB 4Å; L23-V79 HydrophobicContact CD1-CG1 4.09Å; L23-V79 HydrophobicContact CD1-CG2 4.02Å; V51-V79 HydrophobicContact CG1-CG2 3.83Å; I70-V79 HydrophobicContact CD1-CG2 4.38Å; I70-V79 HydrophobicContact CG1-CG2 4.39Å; I70-V79 PolarHBondContact O-N 2.77Å; C72-V79 HydrophobicContact CB-CG1 3.99Å; N77-V79 PolarHBondContact O-N 3.43Å; V79-F102 HydrophobicContact CG2-CD1 4.29Å; V79-F102 HydrophobicContact CG2-CE1 4.49Å; V79-F102 CarbonylContact O-C 3.54Å; V79-F102 WeakPolarHBondContact O-CA 3.44Å; V79-N103 PolarHBondContact O-N 3.33Å; V79-V107 HydrophobicContact CB-CG1 4.41Å
80G98.1Very high97.2Very high0 Ų047.5 Ų47.50%028%0.275CS..EExtended strand (participates in β ladder)trans164.1-153.4-178.800000112.4I70 M101I70-G80 WeakPolarHBondContact CG1-O 3.47Å; I70-G80 PolarHBondContact N-O 3.19Å; G80-M101 CarbonylContact C-O 3.23Å; G80-M101 VanDerWaalsContact CA-O 3.27Å; G80-M101 WeakPolarHBondContact CA-O 3.27Å
81Y98Very high96.9Very high27 Ų2752 Ų5211%0.10630%0.298CS..EExtended strand (participates in β ladder)trans-149.4159.6-178.759.2-91.4000112.4L32 L40 L67 R68 V83 M101L32-Y81 VanDerWaalsContact CD2-OH 3.29Å; L32-Y81 WeakPolarHBondContact CD2-OH 3.5Å; L40-Y81 HydrophobicContact CD1-CE1 4.48Å; L40-Y81 VanDerWaalsContact CD1-OH 3.25Å; L40-Y81 WeakPolarHBondContact CD1-OH 3.41Å; L67-Y81 HydrophobicContact CB-CD2 4.47Å; L67-Y81 HydrophobicContact CD1-CD2 3.85Å; L67-Y81 HydrophobicContact CD1-CE2 4.03Å; L67-Y81 HydrophobicContact CD1-CG 4.28Å; L67-Y81 HydrophobicContact CD2-CD2 3.97Å; L67-Y81 HydrophobicContact CD2-CE2 4.17Å; L67-Y81 HydrophobicContact CG-CD2 4.33Å; R68-Y81 CarbonylContact O-C 3.56Å; R68-Y81 VanDerWaalsContact O-CA 3.31Å; R68-Y81 WeakPolarHBondContact O-CA 3.05Å; Y81-V83 HydrophobicContact CD2-CG2 4.44Å; Y81-V83 HydrophobicContact CE2-CG2 4.18Å; Y81-M101 HydrophobicContact CD1-CB 4.27Å; Y81-M101 HydrophobicContact CD2-CB 4.01Å; Y81-M101 HydrophobicContact CD2-CG 4.11Å; Y81-M101 HydrophobicContact CE1-CB 3.84Å; Y81-M101 HydrophobicContact CE1-CG 4.47Å; Y81-M101 HydrophobicContact CE2-CB 3.57Å; Y81-M101 HydrophobicContact CE2-CG 3.39Å; Y81-M101 HydrophobicContact CG-CB 4.34Å; Y81-M101 VanDerWaalsContact CZ-CB 3.46Å; Y81-M101 PolarHBondContact N-O 3.28Å; Y81-M101 PolarHBondContact O-N 2.77Å; Y81-M101 VanDerWaalsContact O-O 3.13Å
82H97.9Very high96.5Very high32 Ų3258.1 Ų58.115%0.14833%0.329CS..EExtended strand (participates in β ladder)trans-107.2136.7169.3178.662.1000110.3F53 L67 R68 I70 V84 F99 W100F53-H82 HydrophobicContact CE1-CB 3.59Å; F53-H82 AromaticContact CE1-CD2 3.81Å; F53-H82 AromaticContact CE1-CG 3.89Å; F53-H82 HydrophobicContact CZ-CB 4.41Å; F53-H82 AromaticContact CZ-CD2 3.88Å; L67-H82 CarbonylContact C-O 3.55Å; L67-H82 VanDerWaalsContact CA-O 3.28Å; L67-H82 WeakPolarHBondContact CA-O 3.14Å; R68-H82 PolarHBondContact N-O 2.75Å; R68-H82 PolarHBondContact O-N 2.83Å; I70-H82 HydrophobicContact CG2-CB 4.37Å; H82-V84 PolarHBondContact O-N 3.46Å; H82-F99 CarbonylContact C-O 3.57Å; H82-F99 WeakPolarHBondContact CA-O 3.49Å; H82-F99 PolarHBondContact ND1-O 3.26Å; H82-W100 HydrophobicContact CB-CD2 4.39Å; H82-W100 HydrophobicContact CB-CE3 3.98Å; H82-W100 HydrophobicContact CB-CH2 4.49Å; H82-W100 HydrophobicContact CB-CZ3 4.07Å; H82-W100 AromaticContact CE1-CE2 3.72Å; H82-W100 AromaticContact CE1-CZ2 3.94Å; H82-W100 AromaticContact CE1-NE1 3.76Å; H82-W100 AromaticContact ND1-CD2 3.47Å; H82-W100 AromaticContact ND1-CE2 3.33Å; H82-W100 VanDerWaalsContact ND1-CE2 3.33Å; H82-W100 AromaticContact ND1-CE3 3.94Å; H82-W100 AromaticContact ND1-CG 3.91Å; H82-W100 AromaticContact ND1-CZ2 3.72Å; H82-W100 AromaticContact ND1-NE1 3.64Å
83V97.2Very high96Very high20 Ų2060.9 Ų60.912%0.12135%0.349CS..EExtended strand (participates in β ladder)trans-80.993.1172.4-176.30000108.5L67 Y81 P86 F99L67-V83 HydrophobicContact CD2-CB 4.12Å; L67-V83 HydrophobicContact CD2-CG1 4.18Å; L67-V83 HydrophobicContact CD2-CG2 3.77Å; Y81-V83 HydrophobicContact CD2-CG2 4.44Å; Y81-V83 HydrophobicContact CE2-CG2 4.18Å; V83-P86 HydrophobicContact CG1-CB 3.96Å; V83-F99 HydrophobicContact CB-CB 4.49Å; V83-F99 HydrophobicContact CB-CD1 3.93Å; V83-F99 HydrophobicContact CG1-CD1 4.17Å; V83-F99 PolarHBondContact N-O 3.39Å; V83-F99 WeakPolarHBondContact O-CD1 3.45Å
84V97.3Very high95.6Very high61 Ų6160.1 Ų60.137%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-64.6-42.1179.4179.10000111.6K66 R68 H82K66-V84 HydrophobicContact CB-CB 4.46Å; K66-V84 HydrophobicContact CD-CG1 4.27Å; K66-V84 HydrophobicContact CG-CB 4.26Å; K66-V84 PolarHBondContact O-N 3.03Å; R68-V84 HydrophobicContact CB-CG2 3.71Å; H82-V84 PolarHBondContact O-N 3.46Å
85A96.8Very high95.2Very high44 Ų4455.9 Ų55.936%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-145.7112.117600000110.2C65 K66C65-A85 WeakPolarHBondContact CA-O 3.34Å; K66-A85 HydrophobicContact CB-CB 3.96Å; K66-A85 PolarHBondContact N-O 3.31Å; K66-A85 PolarHBondContact O-N 3.37Å; K66-A85 VanDerWaalsContact O-N 3.09Å
86P95.7Very high94.8Very high41 Ų4155.4 Ų55.427%0.26633%0.329SS..  trans-76146.6176.434.6-37.1000110V83 L91 F99V83-P86 HydrophobicContact CG1-CB 3.96Å; P86-L91 HydrophobicContact CB-CD2 4.02Å; P86-L91 HydrophobicContact CB-CG 3.92Å; P86-L91 HydrophobicContact CG-CD1 3.94Å; P86-L91 HydrophobicContact CG-CD2 3.6Å; P86-L91 HydrophobicContact CG-CG 3.73Å; P86-F99 HydrophobicContact CB-CE1 4.37Å; P86-F99 HydrophobicContact CG-CE1 3.74Å; P86-F99 HydrophobicContact CG-CZ 4.34Å
87C95.1Very high94.5Very high22 Ų2254.8 Ų54.815%0.14932%0.322CS..  trans-78.1156.9171.674.70000111C63 C65 C90 L91C63-C87 WeakPolarHBondContact O-CB 3.25Å; C63-C87 PolarHBondContact O-SG 3.37Å; C65-C87 PolarHBondContact SG-N 2.84Å; C65-C87 VanDerWaalsContact SG-SG 3.69Å; C87-C90 PolarHBondContact O-N 2.74Å; C87-C90 VanDerWaalsContact O-N 3.16Å; C87-C90 PolarHBondContact SG-N 3.47Å; C87-C90 VanDerWaalsContact SG-N 3.43Å; C87-L91 PolarHBondContact O-N 3.11Å
88K94.5Very high94.3Very high158 Ų15853 Ų5369%0.68731%0.312SS*.Hα-helixtrans-55.8-43.1178.8-175.4176.4-177176.60113.3C90 L91 L92K88-C90 PolarHBondContact O-N 2.92Å; K88-L91 PolarHBondContact O-N 3.45Å; K88-L92 HydrophobicContact CG-CD1 3.84Å; K88-L92 HydrophobicContact CG-CG 4.33Å; K88-L92 WeakPolarHBondContact O-CG 3.33Å; K88-L92 PolarHBondContact O-N 2.94Å
89P93.3Very high94.2Very high87 Ų8754 Ų5457%0.56531%0.311SS*.Hα-helixtrans-57.3-44.7174.3-27.634.9000114.1L92 S93P89-L92 PolarHBondContact O-N 3.35Å; P89-S93 WeakPolarHBondContact O-CB 3.27Å; P89-S93 PolarHBondContact O-N 3.27Å; P89-S93 PolarHBondContact O-OG 3.28Å
90C92.3Very high94.2Very high25 Ų2555.2 Ų55.217%0.16932%0.316CS..Hα-helixtrans-66.3-39.3178.3-74.20000112L33 C87 K88 L92 S93 N95L33-C90 HydrophobicContact CD1-CB 4.41Å; C87-C90 PolarHBondContact O-N 2.74Å; C87-C90 VanDerWaalsContact O-N 3.16Å; C87-C90 PolarHBondContact SG-N 3.47Å; C87-C90 VanDerWaalsContact SG-N 3.43Å; K88-C90 PolarHBondContact O-N 2.92Å; C90-L92 VanDerWaalsContact C-N 3.32Å; C90-L92 PolarHBondContact O-N 2.68Å; C90-S93 PolarHBondContact O-N 3.16Å; C90-N95 PolarHBondContact O-ND2 2.89Å
91L91.6Very high94.2Very high93 Ų9356 Ų5649%0.48732%0.32SS..Hα-helixtrans-61.8-38.2175.1-77.3174.7000112.9P86 C87 K88 N95P86-L91 HydrophobicContact CB-CD2 4.02Å; P86-L91 HydrophobicContact CB-CG 3.92Å; P86-L91 HydrophobicContact CG-CD1 3.94Å; P86-L91 HydrophobicContact CG-CD2 3.6Å; P86-L91 HydrophobicContact CG-CG 3.73Å; C87-L91 PolarHBondContact O-N 3.11Å; K88-L91 PolarHBondContact O-N 3.45Å; L91-N95 PolarHBondContact O-ND2 3.04Å
92L91.2Very high94.2Very high136 Ų13654.7 Ų54.771%0.71232%0.315SS*.Hα-helixtrans-85.2-9.9180-64.6176.3000113.6K88 P89 C90K88-L92 HydrophobicContact CG-CD1 3.84Å; K88-L92 HydrophobicContact CG-CG 4.33Å; K88-L92 WeakPolarHBondContact O-CG 3.33Å; K88-L92 PolarHBondContact O-N 2.94Å; P89-L92 PolarHBondContact O-N 3.35Å; C90-L92 VanDerWaalsContact C-N 3.32Å; C90-L92 PolarHBondContact O-N 2.68Å
93S89.3Confident94.2Very high61 Ų6155.2 Ų55.243%0.42732%0.318SS..SBendtrans-81.1173.2177-65.30000111.6P89 C90 N95P89-S93 WeakPolarHBondContact O-CB 3.27Å; P89-S93 PolarHBondContact O-N 3.27Å; P89-S93 PolarHBondContact O-OG 3.28Å; C90-S93 PolarHBondContact O-N 3.16Å; S93-N95 PolarHBondContact O-N 3.33Å; S93-N95 PolarHBondContact O-ND2 2.68Å
94C87.9Confident94.2Very high78 Ų7856.7 Ų56.753%0.52733%0.329SS..SBendtrans-71.889.7173.8-178.70000110.6S4 L33S4-C94 PolarHBondContact OG-SG 3.01Å; L33-C94 WeakPolarHBondContact CD2-O 3.38Å
95N90.1Very high94.2Very high58 Ų5859.4 Ų59.431%0.3134%0.342SS..  trans-115.5166.3175.266.469.8000111.2F6 L33 C90 L91 S93 G97F6-N95 WeakPolarHBondContact CE2-O 3.46Å; L33-N95 HydrophobicContact CD1-CB 4.29Å; C90-N95 PolarHBondContact O-ND2 2.89Å; L91-N95 PolarHBondContact O-ND2 3.04Å; S93-N95 PolarHBondContact O-N 3.33Å; S93-N95 PolarHBondContact O-ND2 2.68Å; N95-G97 WeakPolarHBondContact OD1-CA 3.29Å; N95-G97 PolarHBondContact OD1-N 3.45Å
96N90.1Very high94.3Very high37 Ų3757.4 Ų57.420%0.19833%0.326CS..  trans-94.26175.2637.3000113.6F6 M28 S42 H98F6-N96 HydrophobicContact CD1-CB 4.41Å; F6-N96 HydrophobicContact CD2-CB 3.92Å; F6-N96 HydrophobicContact CE1-CB 4.19Å; F6-N96 VanDerWaalsContact CE2-CA 3.48Å; F6-N96 HydrophobicContact CE2-CB 3.7Å; F6-N96 HydrophobicContact CG-CB 4.29Å; F6-N96 HydrophobicContact CZ-CB 3.84Å; M28-N96 HydrophobicContact SD-CB 4.05Å; M28-N96 PolarHBondContact SD-ND2 3.16Å; S42-N96 PolarHBondContact OG-ND2 3.34Å; N96-H98 PolarHBondContact O-CD2 3.46Å; N96-H98 PolarHBondContact O-N 2.92Å; N96-H98 WeakPolarHBondContact OD1-CB 3.35Å; N96-H98 PolarHBondContact OD1-N 2.93Å; N96-H98 VanDerWaalsContact OD1-N 3.14Å
97G91.6Very high94.4Very high42 Ų4255.9 Ų55.943%0.43332%0.315SS..  trans72.62.8-179.300000115.4N95 F99N95-G97 WeakPolarHBondContact OD1-CA 3.29Å; N95-G97 PolarHBondContact OD1-N 3.45Å; G97-F99 VanDerWaalsContact O-CD2 3.22Å; G97-F99 WeakPolarHBondContact O-CD2 3.29Å; G97-F99 VanDerWaalsContact O-CE2 3.29Å; G97-F99 WeakPolarHBondContact O-CE2 3.34Å
98H95.1Very high94.6Very high30 Ų3057.1 Ų57.114%0.13933%0.325CS..  trans-82.9138.6-179.3-61.7-174.3000110.6S42 T43 N96 W123S42-H98 PolarHBondContact OG-ND1 2.89Å; T43-H98 WeakPolarHBondContact O-CB 3.21Å; N96-H98 PolarHBondContact O-CD2 3.46Å; N96-H98 PolarHBondContact O-N 2.92Å; N96-H98 WeakPolarHBondContact OD1-CB 3.35Å; N96-H98 PolarHBondContact OD1-N 2.93Å; N96-H98 VanDerWaalsContact OD1-N 3.14Å; H98-W123 AromaticContact CE1-CH2 3.53Å; H98-W123 AromaticContact CE1-CZ3 3.9Å
99F96.5Very high94.7Very high81 Ų8152.6 Ų52.636%0.35531%0.31SS..  trans-106.2-6.6-180-70.6-95.5000113.3H82 V83 P86 G97H82-F99 CarbonylContact C-O 3.57Å; H82-F99 WeakPolarHBondContact CA-O 3.49Å; H82-F99 PolarHBondContact ND1-O 3.26Å; V83-F99 HydrophobicContact CB-CB 4.49Å; V83-F99 HydrophobicContact CB-CD1 3.93Å; V83-F99 HydrophobicContact CG1-CD1 4.17Å; V83-F99 PolarHBondContact N-O 3.39Å; V83-F99 WeakPolarHBondContact O-CD1 3.45Å; P86-F99 HydrophobicContact CB-CE1 4.37Å; P86-F99 HydrophobicContact CG-CE1 3.74Å; P86-F99 HydrophobicContact CG-CZ 4.34Å; G97-F99 VanDerWaalsContact O-CD2 3.22Å; G97-F99 WeakPolarHBondContact O-CD2 3.29Å; G97-F99 VanDerWaalsContact O-CE2 3.29Å; G97-F99 WeakPolarHBondContact O-CE2 3.34Å
100W97.9Very high94.9Very high27 Ų2754 Ų5410%0.10231%0.312CS..EExtended strand (participates in β ladder)trans-113.1119.8-178.5-63.590.9000109.1S42 T43 P46 P47 V51 F53 I70 H82S42-W100 WeakPolarHBondContact CA-O 3.33Å; S42-W100 WeakPolarHBondContact CB-O 3.38Å; T43-W100 HydrophobicContact CG2-CB 3.51Å; T43-W100 HydrophobicContact CG2-CG 4.28Å; T43-W100 PolarHBondContact N-O 3.2Å; T43-W100 VanDerWaalsContact N-O 3.11Å; P46-W100 HydrophobicContact CB-CZ2 3.92Å; P47-W100 VanDerWaalsContact CD-CE3 3.47Å; P47-W100 HydrophobicContact CG-CD2 4.08Å; P47-W100 HydrophobicContact CG-CE3 3.69Å; P47-W100 HydrophobicContact CG-CZ3 4.08Å; V51-W100 HydrophobicContact CG2-CZ3 4.38Å; F53-W100 AromaticContact CE1-CH2 3.93Å; F53-W100 HydrophobicContact CE1-CH2 3.93Å; F53-W100 HydrophobicContact CE1-CZ3 4.07Å; F53-W100 HydrophobicContact CE2-CH2 4.48Å; F53-W100 AromaticContact CZ-CH2 3.64Å; F53-W100 HydrophobicContact CZ-CH2 3.64Å; F53-W100 HydrophobicContact CZ-CZ2 4.39Å; F53-W100 HydrophobicContact CZ-CZ3 4.25Å; I70-W100 HydrophobicContact CD1-CE3 4.33Å; I70-W100 HydrophobicContact CG2-CE3 4.33Å; I70-W100 HydrophobicContact CG2-CZ3 3.86Å; H82-W100 HydrophobicContact CB-CD2 4.39Å; H82-W100 HydrophobicContact CB-CE3 3.98Å; H82-W100 HydrophobicContact CB-CH2 4.49Å; H82-W100 HydrophobicContact CB-CZ3 4.07Å; H82-W100 AromaticContact CE1-CE2 3.72Å; H82-W100 AromaticContact CE1-CZ2 3.94Å; H82-W100 AromaticContact CE1-NE1 3.76Å; H82-W100 AromaticContact ND1-CD2 3.47Å; H82-W100 AromaticContact ND1-CE2 3.33Å; H82-W100 VanDerWaalsContact ND1-CE2 3.33Å; H82-W100 AromaticContact ND1-CE3 3.94Å; H82-W100 AromaticContact ND1-CG 3.91Å; H82-W100 AromaticContact ND1-CZ2 3.72Å; H82-W100 AromaticContact ND1-NE1 3.64Å
101M97.9Very high95.2Very high16 Ų1656.5 Ų56.58%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-120.4140.3-175.9-53.9-56.9-59.700109.8A30 L40 F41 S42 G80 Y81A30-M101 HydrophobicContact CB-CE 4.23Å; L40-M101 HydrophobicContact CB-CE 3.83Å; L40-M101 HydrophobicContact CD1-CE 3.74Å; L40-M101 HydrophobicContact CG-CE 4.47Å; F41-M101 CarbonylContact O-C 3.51Å; F41-M101 WeakPolarHBondContact O-CA 3.2Å; S42-M101 WeakPolarHBondContact CB-SD 3.41Å; G80-M101 CarbonylContact C-O 3.23Å; G80-M101 VanDerWaalsContact CA-O 3.27Å; G80-M101 WeakPolarHBondContact CA-O 3.27Å; Y81-M101 HydrophobicContact CD1-CB 4.27Å; Y81-M101 HydrophobicContact CD2-CB 4.01Å; Y81-M101 HydrophobicContact CD2-CG 4.11Å; Y81-M101 HydrophobicContact CE1-CB 3.84Å; Y81-M101 HydrophobicContact CE1-CG 4.47Å; Y81-M101 HydrophobicContact CE2-CB 3.57Å; Y81-M101 HydrophobicContact CE2-CG 3.39Å; Y81-M101 HydrophobicContact CG-CB 4.34Å; Y81-M101 VanDerWaalsContact CZ-CB 3.46Å; Y81-M101 PolarHBondContact N-O 3.28Å; Y81-M101 PolarHBondContact O-N 2.77Å; Y81-M101 VanDerWaalsContact O-O 3.13Å
102F98.4Very high95.5Very high0 Ų056 Ų560%032%0.315CS..EExtended strand (participates in β ladder)trans-115.3131.3172.9-58.8-79.4000109.2V14 L23 C24 F41 T43 P47 V51 I70 V79 V107V14-F102 HydrophobicContact CG1-CB 4.31Å; V14-F102 HydrophobicContact CG1-CD2 4.22Å; V14-F102 HydrophobicContact CG1-CG 4.12Å; L23-F102 HydrophobicContact CB-CE1 3.99Å; L23-F102 HydrophobicContact CB-CZ 4.26Å; L23-F102 HydrophobicContact CD1-CD1 4Å; L23-F102 HydrophobicContact CD1-CE1 4.01Å; C24-F102 HydrophobicContact CB-CE2 4.43Å; C24-F102 HydrophobicContact CB-CZ 4.44Å; F41-F102 HydrophobicContact CB-CB 4.31Å; F41-F102 PolarHBondContact N-O 3Å; F41-F102 PolarHBondContact O-N 2.9Å; T43-F102 HydrophobicContact CG2-CE2 3.7Å; T43-F102 HydrophobicContact CG2-CZ 4.22Å; P47-F102 HydrophobicContact CB-CZ 4.39Å; P47-F102 HydrophobicContact CG-CZ 4.16Å; V51-F102 HydrophobicContact CG1-CE1 4.3Å; I70-F102 HydrophobicContact CD1-CD1 4.24Å; I70-F102 HydrophobicContact CD1-CE1 3.94Å; V79-F102 HydrophobicContact CG2-CD1 4.29Å; V79-F102 HydrophobicContact CG2-CE1 4.49Å; V79-F102 CarbonylContact O-C 3.54Å; V79-F102 WeakPolarHBondContact O-CA 3.44Å; F102-V107 HydrophobicContact CB-CG1 3.86Å; F102-V107 HydrophobicContact CB-CG2 4.29Å; F102-V107 HydrophobicContact CD1-CG1 4.33Å; F102-V107 HydrophobicContact CG-CG1 4.4Å
103N98.1Very high95.8Very high42 Ų4254 Ų5423%0.22531%0.305CS..EExtended strand (participates in β ladder)trans-73.5131.2179-61.9-22.5000109.4V79 D105 A106 V107V79-N103 PolarHBondContact O-N 3.33Å; N103-D105 WeakPolarHBondContact CB-OD1 3.3Å; N103-D105 PolarHBondContact O-N 3.16Å; N103-A106 HydrophobicContact CB-CB 4.23Å; N103-A106 PolarHBondContact O-N 2.93Å; N103-V107 WeakPolarHBondContact O-CG2 3.25Å; N103-V107 PolarHBondContact O-N 2.84Å
104S97.5Very high96Very high51 Ų5152.9 Ų52.936%0.35729%0.294SS..THydrogen-bonded Turntrans-62.3-25.5-175.550.20000113.7E39E39-S104 WeakPolarHBondContact O-CB 3.38Å; E39-S104 PolarHBondContact O-OG 3.41Å
105D97.5Very high96.3Very high119 Ų11956.5 Ų56.564%0.63631%0.314SS*.THydrogen-bonded Turntrans-80.6-14.517663.3-11000113.9N103N103-D105 WeakPolarHBondContact CB-OD1 3.3Å; N103-D105 PolarHBondContact O-N 3.16Å
106A98.3Very high96.5Very high2 Ų257.7 Ų57.72%0.01732%0.323CS..THydrogen-bonded Turntrans-106.9-2.4-177.900000113.5I17 Y18 N103I17-A106 WeakPolarHBondContact CG2-O 3.43Å; I17-A106 PolarHBondContact N-O 2.63Å; I17-A106 VanDerWaalsContact N-O 3.13Å; Y18-A106 HydrophobicContact CE2-CB 4.03Å; N103-A106 HydrophobicContact CB-CB 4.23Å; N103-A106 PolarHBondContact O-N 2.93Å
107V98.4Very high96.7Very high8 Ų857.8 Ų57.85%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-133.3153.1-178.1-56.50000112.8V14 N15 L23 F41 V79 F102 N103 T109V14-V107 HydrophobicContact CG1-CB 3.58Å; V14-V107 HydrophobicContact CG1-CG1 3.71Å; V14-V107 HydrophobicContact CG1-CG2 3.75Å; N15-V107 CarbonylContact O-C 3.55Å; N15-V107 WeakPolarHBondContact O-CA 3.12Å; N15-V107 WeakPolarHBondContact O-CB 3.25Å; L23-V107 HydrophobicContact CD1-CG1 3.79Å; F41-V107 HydrophobicContact CD2-CG2 3.87Å; F41-V107 HydrophobicContact CE2-CG2 4.36Å; V79-V107 HydrophobicContact CB-CG1 4.41Å; F102-V107 HydrophobicContact CB-CG1 3.86Å; F102-V107 HydrophobicContact CB-CG2 4.29Å; F102-V107 HydrophobicContact CD1-CG1 4.33Å; F102-V107 HydrophobicContact CG-CG1 4.4Å; N103-V107 WeakPolarHBondContact O-CG2 3.25Å; N103-V107 PolarHBondContact O-N 2.84Å; V107-T109 HydrophobicContact CG2-CG2 4.3Å
108S98.4Very high96.8Very high49 Ų4962.7 Ų62.734%0.34335%0.348SS..EExtended strand (participates in β ladder)trans-111154.6165.158.60000109.3N15N15-S108 PolarHBondContact N-O 2.8Å; N15-S108 PolarHBondContact O-N 2.92Å
109T98Very high96.9Very high62 Ų6265.9 Ų65.938%0.3837%0.366SS..EExtended strand (participates in β ladder)trans-138.9148.2-171.360.50000114.2T12 Q13 V14 F41 V107T12-T109 VanDerWaalsContact CG2-CB 3.46Å; T12-T109 HydrophobicContact CG2-CG2 3.92Å; Q13-T109 VanDerWaalsContact O-CA 3.22Å; Q13-T109 WeakPolarHBondContact O-CA 3.31Å; V14-T109 HydrophobicContact CG1-CG2 4.44Å; V14-T109 HydrophobicContact CG2-CG2 4.19Å; F41-T109 HydrophobicContact CD1-CG2 3.9Å; F41-T109 HydrophobicContact CD2-CG2 3.83Å; F41-T109 HydrophobicContact CE1-CG2 3.61Å; F41-T109 HydrophobicContact CE2-CG2 3.53Å; F41-T109 HydrophobicContact CG-CG2 4.01Å; F41-T109 HydrophobicContact CZ-CG2 3.41Å; F41-T109 VanDerWaalsContact CZ-CG2 3.41Å; V107-T109 HydrophobicContact CG2-CG2 4.3Å
110L97.4Very high97Very high116 Ų11665.5 Ų65.561%0.60737%0.368SS*.EExtended strand (participates in β ladder)trans-135.4124.4175.3-178.467.2000110Q13 R112Q13-L110 HydrophobicContact CB-CB 4.48Å; Q13-L110 PolarHBondContact N-O 3.2Å; Q13-L110 PolarHBondContact O-N 3.19Å; L110-R112 PolarHBondContact O-N 3.03Å
111N97.8Very high96.9Very high78 Ų7865.2 Ų65.242%0.41737%0.368SS..EExtended strand (participates in β ladder)trans-63.5133.4172.9-71.1-28.1000109.9T12 L120T12-N111 PolarHBondContact OG1-OD1 3.02Å; N111-L120 HydrophobicContact CB-CD2 3.88Å
112R97.6Very high96.9Very high82 Ų8266.9 Ų66.931%0.30938%0.377SS..PPolyproline II helixtrans-80.9146178-68.9-178.361-162.5-5110.2V11 Q13 T25 L110 L120 L121V11-R112 PolarHBondContact O-N 2.92Å; Q13-R112 HydrophobicContact CB-CG 4.31Å; T25-R112 WeakPolarHBondContact O-CD 3.36Å; T25-R112 PolarHBondContact O-NH1 3.06Å; L110-R112 PolarHBondContact O-N 3.03Å; R112-L120 CarbonylContact O-C 3.49Å; R112-L120 WeakPolarHBondContact O-CA 3.14Å; R112-L121 HydrophobicContact CB-CB 4.19Å; R112-L121 HydrophobicContact CB-CD2 4.28Å; R112-L121 PolarHBondContact O-N 3.43Å
113L97.2Very high96.7Very high94 Ų9468.2 Ų68.249%0.49238%0.382SS..BIsolated β-bridgetrans-88.5153.5169.3-61.1169000110.1N119 L120L113-N119 CarbonylContact C-O 3.59Å; L113-N119 WeakPolarHBondContact CA-O 3.31Å; L113-N119 WeakPolarHBondContact CD2-O 3.28Å; L113-L120 HydrophobicContact CD2-CD2 4.09Å
114D95.2Very high96.5Very high38 Ų3868 Ų6820%0.20339%0.39CS..  trans-67.9179.1170.271.612.1000111.3T116 G117 N119D114-T116 VanDerWaalsContact CG-OG1 3.3Å; D114-T116 PolarHBondContact O-N 3.26Å; D114-T116 VanDerWaalsContact O-N 3.13Å; D114-T116 WeakPolarHBondContact OD1-CA 3.38Å; D114-T116 VanDerWaalsContact OD1-CB 3.3Å; D114-T116 WeakPolarHBondContact OD1-CB 3.18Å; D114-T116 PolarHBondContact OD1-N 2.94Å; D114-T116 PolarHBondContact OD1-OG1 3.13Å; D114-T116 PolarHBondContact OD2-OG1 3.03Å; D114-G117 PolarHBondContact O-N 3.07Å; D114-G117 PolarHBondContact OD1-N 3.22Å; D114-N119 PolarHBondContact N-O 3.19Å; D114-N119 WeakPolarHBondContact OD2-CB 3.33Å; D114-N119 PolarHBondContact OD2-ND2 2.91Å; D114-N119 VanDerWaalsContact OD2-ND2 3.1Å
115V93.1Very high96.3Very high155 Ų15570.8 Ų70.894%0.93940%0.401SS*.THydrogen-bonded Turntrans-63-17.9179.9-61.80000113.8
116T95.1Very high96.1Very high83 Ų8366.3 Ų66.351%0.50938%0.377SS..THydrogen-bonded Turntrans-82.3-21.7176.678.70000111.8D114 L118D114-T116 VanDerWaalsContact CG-OG1 3.3Å; D114-T116 PolarHBondContact O-N 3.26Å; D114-T116 VanDerWaalsContact O-N 3.13Å; D114-T116 WeakPolarHBondContact OD1-CA 3.38Å; D114-T116 VanDerWaalsContact OD1-CB 3.3Å; D114-T116 WeakPolarHBondContact OD1-CB 3.18Å; D114-T116 PolarHBondContact OD1-N 2.94Å; D114-T116 PolarHBondContact OD1-OG1 3.13Å; D114-T116 PolarHBondContact OD2-OG1 3.03Å; T116-L118 PolarHBondContact O-N 2.82Å; T116-L118 WeakPolarHBondContact OG1-CB 3.28Å; T116-L118 PolarHBondContact OG1-N 3.06Å; T116-L118 VanDerWaalsContact OG1-N 3.17Å
117G94.2Very high95.6Very high39 Ų3970.5 Ų70.540%0.40240%0.404SS..SBendtrans73.86.4-174.200000113.9D114D114-G117 PolarHBondContact O-N 3.07Å; D114-G117 PolarHBondContact OD1-N 3.22Å
118L94.3Very high94.9Very high144 Ų14479 Ų7975%0.75444%0.443SS*.SBendtrans-104.6-30.2-175.9-60.9176.8000113T116T116-L118 PolarHBondContact O-N 2.82Å; T116-L118 WeakPolarHBondContact OG1-CB 3.28Å; T116-L118 PolarHBondContact OG1-N 3.06Å; T116-L118 VanDerWaalsContact OG1-N 3.17Å
119N96.6Very high94.2Very high97 Ų9780.5 Ų80.552%0.51945%0.447SS..SBendtrans-116.5160.6179.7-47.1-72.2000111.5L113 D114L113-N119 CarbonylContact C-O 3.59Å; L113-N119 WeakPolarHBondContact CA-O 3.31Å; L113-N119 WeakPolarHBondContact CD2-O 3.28Å; D114-N119 PolarHBondContact N-O 3.19Å; D114-N119 WeakPolarHBondContact OD2-CB 3.33Å; D114-N119 PolarHBondContact OD2-ND2 2.91Å; D114-N119 VanDerWaalsContact OD2-ND2 3.1Å
120L97.3Very high92.9Very high74 Ų7486.3 Ų86.339%0.38747%0.47SS..BIsolated β-bridgetrans-69.4133.2169.5-58.6-177.5000109.5C10 N111 R112 L113 L122C10-L120 VanDerWaalsContact SG-CD1 3.59Å; N111-L120 HydrophobicContact CB-CD2 3.88Å; R112-L120 CarbonylContact O-C 3.49Å; R112-L120 WeakPolarHBondContact O-CA 3.14Å; L113-L120 HydrophobicContact CD2-CD2 4.09Å; L120-L122 PolarHBondContact O-N 3.03Å
121L97.3Very high90.8Very high20 Ų2088.1 Ų88.111%0.10548%0.48CS..PPolyproline II helixtrans-66.3126.9172.3179.762.6000109.1C10 V11 R112 D125 L126C10-L121 WeakPolarHBondContact CA-O 3.46Å; V11-L121 HydrophobicContact CB-CB 4.3Å; V11-L121 HydrophobicContact CB-CD2 4Å; V11-L121 HydrophobicContact CB-CG 4.02Å; V11-L121 HydrophobicContact CG1-CD2 4.23Å; V11-L121 HydrophobicContact CG2-CB 4.42Å; V11-L121 HydrophobicContact CG2-CD2 4.1Å; V11-L121 HydrophobicContact CG2-CG 3.79Å; V11-L121 PolarHBondContact N-O 3.26Å; R112-L121 HydrophobicContact CB-CB 4.19Å; R112-L121 HydrophobicContact CB-CD2 4.28Å; R112-L121 PolarHBondContact O-N 3.43Å; L121-D125 HydrophobicContact CD1-CB 4.23Å; L121-L126 HydrophobicContact CD2-CD2 3.9Å; L121-L126 HydrophobicContact CG-CD2 4.45Å
122L96.7Very high88.4Confident51 Ų5190 Ų9027%0.26750%0.5SS..BIsolated β-bridgetrans-100.4153.2178-52.2-179.9000111.2K7 K9 L120 G124 D125K7-L122 WeakPolarHBondContact O-CB 3.35Å; K9-L122 CarbonylContact O-C 3.55Å; K9-L122 WeakPolarHBondContact O-CA 3.22Å; L120-L122 PolarHBondContact O-N 3.03Å; L122-G124 PolarHBondContact O-N 2.88Å; L122-D125 WeakPolarHBondContact CB-OD2 3.33Å; L122-D125 PolarHBondContact O-N 3.02Å
123W95.2Very high85.9Confident28 Ų2894.1 Ų94.111%0.10652%0.522CS..G310 helixtrans-60.7-30.8178.7-88.588.7000112.9F6 K7 K9 C10 V11 R26 G27 M28 D44 H98 D125 L126F6-W123 WeakPolarHBondContact O-CB 3.39Å; K7-W123 PolarHBondContact O-N 2.84Å; K9-W123 HydrophobicContact CB-CG 4.47Å; K9-W123 VanDerWaalsContact O-CD1 3.3Å; K9-W123 PolarHBondContact O-N 3.37Å; C10-W123 PolarHBondContact O-NE1 2.96Å; V11-W123 HydrophobicContact CG2-CD2 4.37Å; V11-W123 HydrophobicContact CG2-CG 4.06Å; R26-W123 HydrophobicContact CB-CH2 4.18Å; R26-W123 WeakPolarHBondContact O-CH2 3.35Å; R26-W123 WeakPolarHBondContact O-CZ2 3.44Å; G27-W123 WeakPolarHBondContact O-CZ2 3.26Å; G27-W123 PolarHBondContact O-NE1 2.96Å; M28-W123 HydrophobicContact CB-CZ2 3.55Å; M28-W123 HydrophobicContact CE-CB 4.34Å; M28-W123 HydrophobicContact CE-CD2 3.29Å; M28-W123 VanDerWaalsContact CE-CE2 3.46Å; M28-W123 HydrophobicContact CE-CE3 3.72Å; M28-W123 HydrophobicContact CE-CG 3.56Å; M28-W123 HydrophobicContact CE-CH2 4.39Å; M28-W123 HydrophobicContact CE-CZ2 4.04Å; M28-W123 HydrophobicContact CE-CZ3 4.24Å; M28-W123 HydrophobicContact CG-CZ2 4.45Å; D44-W123 HydrophobicContact CB-CH2 4.26Å; D44-W123 HydrophobicContact CB-CZ3 4.11Å; D44-W123 WeakPolarHBondContact OD1-CH2 3.19Å; D44-W123 WeakPolarHBondContact OD2-CZ3 3.16Å; H98-W123 AromaticContact CE1-CH2 3.53Å; H98-W123 AromaticContact CE1-CZ3 3.9Å; W123-D125 PolarHBondContact O-N 2.88Å; W123-L126 HydrophobicContact CD2-CD1 3.8Å; W123-L126 HydrophobicContact CE3-CD1 3.49Å; W123-L126 VanDerWaalsContact CE3-CD1 3.49Å; W123-L126 HydrophobicContact CG-CD1 4.37Å; W123-L126 HydrophobicContact CH2-CD1 4.35Å; W123-L126 HydrophobicContact CZ3-CD1 3.8Å; W123-L126 PolarHBondContact O-N 2.8Å
124G93Very high83.4Confident38 Ų3896.8 Ų96.839%0.39254%0.537SS..G310 helixtrans-68.4-16.8176.400000114.6K7 L122K7-G124 PolarHBondContact O-N 3.45Å; L122-G124 PolarHBondContact O-N 2.88Å
125D94Very high81Confident110 Ų110103.9 Ų103.959%0.58857%0.569SS**G310 helixtrans-102.91.2-177.4-53.5-43.4000112.2L121 L122 W123L121-D125 HydrophobicContact CD1-CB 4.23Å; L122-D125 WeakPolarHBondContact CB-OD2 3.33Å; L122-D125 PolarHBondContact O-N 3.02Å; W123-D125 PolarHBondContact O-N 2.88Å
126L92.1Very high78.5Confident24 Ų24105.4 Ų105.413%0.12657%0.566CS.*SBendtrans-72143.3175.8-75.7172.7000110.7V11 R26 L121 W123V11-L126 HydrophobicContact CG1-CD1 4.2Å; V11-L126 HydrophobicContact CG1-CD2 4.3Å; V11-L126 HydrophobicContact CG2-CD1 3.57Å; V11-L126 HydrophobicContact CG2-CD2 4.04Å; V11-L126 HydrophobicContact CG2-CG 3.77Å; R26-L126 HydrophobicContact CG-CD1 4.47Å; L121-L126 HydrophobicContact CD2-CD2 3.9Å; L121-L126 HydrophobicContact CG-CD2 4.45Å; W123-L126 HydrophobicContact CD2-CD1 3.8Å; W123-L126 HydrophobicContact CE3-CD1 3.49Å; W123-L126 VanDerWaalsContact CE3-CD1 3.49Å; W123-L126 HydrophobicContact CG-CD1 4.37Å; W123-L126 HydrophobicContact CH2-CD1 4.35Å; W123-L126 HydrophobicContact CZ3-CD1 3.8Å; W123-L126 PolarHBondContact O-N 2.8Å
127P89.4Confident76.3Confident91 Ų91107.2 Ų107.259%0.59158%0.582SS**PPolyproline II helixtrans-61.9144.9169.227.8-33.4000109.5R26R26-P127 PolarHBondContact NH1-O 2.85Å; R26-P127 PolarHBondContact NH2-O 3.37Å
128E83.6Confident73.6Confident187 Ų187113.7 Ų113.787%0.87460%0.602SS**PPolyproline II helixtrans-57.9144.2167.8-68.5-177.1179.100109.1E130E128-E130 PolarHBondContact O-N 3.09Å
129L82.3Confident70.7Confident80 Ų80112.1 Ų112.142%0.41960%0.603SS.*PPolyproline II helixtrans-72.4124.3173.8-58177.6000106.7D44 I45 D131D44-L129 HydrophobicContact CB-CD1 4.46Å; I45-L129 HydrophobicContact CD1-CD2 3.46Å; I45-L129 VanDerWaalsContact CD1-CD2 3.46Å; I45-L129 HydrophobicContact CG1-CD1 3.8Å; I45-L129 HydrophobicContact CG1-CD2 3.63Å; I45-L129 HydrophobicContact CG1-CG 4.39Å; L129-D131 PolarHBondContact O-N 3.47Å
130E71.8Confident68Low184 Ų184113.2 Ų113.286%0.8662%0.615SS**PPolyproline II helixtrans-62.3129.3166.3-65.4178.2-175.900107.2E128 S132E128-E130 PolarHBondContact O-N 3.09Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 2.85Å
131D52.2Low65.3Low154 Ų154114.4 Ų114.482%0.82463%0.629SS**  trans-61.498171.9-72.1-39.9000107.4L129 E133L129-D131 PolarHBondContact O-N 3.47Å; D131-E133 PolarHBondContact O-N 3.05Å
132S48.2Very low62.9Low118 Ų118122.9 Ų122.983%0.82567%0.668SS**  trans-71.484.3169.357.20000107.6E130E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 2.85Å
133E45.6Very low60.6Low168 Ų168128.6 Ų128.679%0.78569%0.694SS**  trans-56133.1166.9-64.4-177.2155.800109.7D131D131-E133 PolarHBondContact O-N 3.05Å
134N43.7Very low58.3Low149 Ų149136.4 Ų136.480%0.79773%0.731SS**  trans71.1112.7171.2-63.3-37.4000117.8
135E45Very low55.9Low188 Ų188141 Ų14188%0.87976%0.756SS**SBend-166.1154.186-80.2-158.3172.600110.4
136E41.1Very low53.9Low186 Ų186143.6 Ų143.687%0.86977%0.768SS**  trans8657.2-174.3-60-176.3-174.200117.6E138E136-E138 VanDerWaalsContact C-N 3.28Å; E136-E138 PolarHBondContact O-N 3.24Å
137S48.1Very low51.4Low122 Ų122157.6 Ų157.685%0.85382%0.82SS**  trans-7085.6137.957.40000110.3
138E38.2Very low49.5Very low175 Ų175161 Ų16182%0.81883%0.831SS**  trans-129.893153.7-78.7-167.2169.400108.1E136 P140E136-E138 VanDerWaalsContact C-N 3.28Å; E136-E138 PolarHBondContact O-N 3.24Å; E138-P140 WeakPolarHBondContact O-CD 3.37Å
139S34Very low47.8Very low111 Ų111159.6 Ų159.678%0.77683%0.829SS**PPolyproline II helixtrans-65.3123.616353.50000108.9S141S139-S141 PolarHBondContact O-N 3.43Å
140P39.3Very low45.8Very low119 Ų119164 Ų16477%0.77385%0.852SS**PPolyproline II helixtrans-67.4123.3158.3-11.227.5000107.1E138 E142E138-P140 WeakPolarHBondContact O-CD 3.37Å; P140-E142 PolarHBondContact O-N 3.32Å
141S39.7Very low44.3Very low99 Ų99162.8 Ų162.869%0.69285%0.851SS**PPolyproline II helixtrans-46.6131175.146.70000111.8S139 E143S139-S141 PolarHBondContact O-N 3.43Å; S141-E143 PolarHBondContact O-N 2.86Å
142E47.7Very low43.8Very low198 Ų198163.4 Ų163.493%0.92585%0.853SS**SBendtrans-68.471.8170.4-62.2-176.6132.300110.5P140P140-E142 PolarHBondContact O-N 3.32Å
143E49.2Very low43.5Very low172 Ų172166.4 Ų166.480%0.80486%0.855SS**  trans-16274.3173.8-116.6158.716800111.9S141S141-E143 PolarHBondContact O-N 2.86Å
144E46.6Very low43.4Very low191 Ų191166.3 Ų166.389%0.89386%0.86SS**  trans-171.778.8144.2-108.6-179.2164.100110.4
145C43.3Very low43.4Very low135 Ų135167.6 Ų167.691%0.91286%0.864SS**  trans-133.469.3160-95.50000109.5
146I51.3Low43.2Very low164 Ų164165.9 Ų165.984%0.84186%0.863SS**  trans-141100.5154.1-54.5179.2000107.8
147R40.2Very low43.4Very low319 Ų319164.1 Ų164.1100%1.20486%0.863SS**  trans-147.90140.1-74.3-158.4179.2157.64.1109.3

Retrieved 147 of 147 residues in 760.2 ms (Link to these results)

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