A0A087XM01_POEFO Loading...

Phosphopantothenoylcysteine decarboxylase

Catalyzes the decarboxylation of the cysteine moiety of 4-phosphopantothenoylcysteine to form 4'-phosphopantotheine and this reaction forms part of the biosynthesis of coenzyme A.

AlphaFold DB , UniProt , Accession A0A087XM01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 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
1A46.9Very low65.1Low147 Ų14794.4 Ų94.4100%1.21555%0.551SS**  023.5000000112.7
2N55.1Low66.3Low106 Ų10687.3 Ų87.357%0.56751%0.509SS*.  trans-113.7-3.9-168.4-86.529.9000116.6Q4 S5 D6N2-Q4 VanDerWaalsContact C-N 3.34Å; N2-Q4 PolarHBondContact O-N 2.79Å; N2-S5 PolarHBondContact O-OG 3.32Å; N2-D6 WeakPolarHBondContact O-CB 3.42Å; N2-D6 VanDerWaalsContact O-CG 3.24Å; N2-D6 PolarHBondContact O-N 3.28Å
3M55.4Low67.2Low161 Ų16191.5 Ų91.579%0.79352%0.518SS*.Hα-helixtrans-66-36.5-177.7-84.3163.359.900112.8D7M3-D7 WeakPolarHBondContact O-CB 3.47Å; M3-D7 VanDerWaalsContact O-CG 3.23Å; M3-D7 PolarHBondContact O-N 3.34Å; M3-D7 VanDerWaalsContact O-N 3.16Å
4Q59.1Low67.8Low165 Ų16591.9 Ų91.977%0.77152%0.523SS*.Hα-helixtrans-73.1-35-176.9-119.6173.4-8.800113.4N2 L8N2-Q4 VanDerWaalsContact C-N 3.34Å; N2-Q4 PolarHBondContact O-N 2.79Å; Q4-L8 WeakPolarHBondContact O-CG 3.39Å; Q4-L8 PolarHBondContact O-N 3.29Å
5S60.1Low68.5Low16 Ų1689.2 Ų89.211%0.11251%0.506CS..Hα-helixtrans-72.7-42.4176.351.60000111.4N2 D7 L8 V9N2-S5 PolarHBondContact O-OG 3.32Å; S5-D7 VanDerWaalsContact C-N 3.31Å; S5-D7 PolarHBondContact O-N 3.07Å; S5-L8 PolarHBondContact O-N 3.01Å; S5-V9 WeakPolarHBondContact O-CG2 3.5Å; S5-V9 PolarHBondContact O-N 2.93Å
6D65.7Low69.3Low92 Ų9284.7 Ų84.749%0.49248%0.48SS..Hα-helixtrans-63.3-38.3178.6-70.5-19.2000111.6N2 S10N2-D6 WeakPolarHBondContact O-CB 3.42Å; N2-D6 VanDerWaalsContact O-CG 3.24Å; N2-D6 PolarHBondContact O-N 3.28Å; D6-S10 VanDerWaalsContact O-CB 3.25Å; D6-S10 WeakPolarHBondContact O-CB 3.33Å; D6-S10 PolarHBondContact O-N 3.24Å
7D72.2Confident69.8Low111 Ų11183.8 Ų83.859%0.59448%0.481SS*.Hα-helixtrans-65.6-40.5175.5-75.9-21.5000112.4M3 S5 S11M3-D7 WeakPolarHBondContact O-CB 3.47Å; M3-D7 VanDerWaalsContact O-CG 3.23Å; M3-D7 PolarHBondContact O-N 3.34Å; M3-D7 VanDerWaalsContact O-N 3.16Å; S5-D7 VanDerWaalsContact C-N 3.31Å; S5-D7 PolarHBondContact O-N 3.07Å; D7-S11 VanDerWaalsContact O-CB 3.25Å; D7-S11 WeakPolarHBondContact O-CB 3.26Å; D7-S11 PolarHBondContact O-N 3.22Å
8L72.6Confident69.8Low85 Ų8586.3 Ų86.345%0.44549%0.485SS..Hα-helixtrans-67.3-42.5177.2-74.1168.1000111.9Q4 S5 S11 L12 L83Q4-L8 WeakPolarHBondContact O-CG 3.39Å; Q4-L8 PolarHBondContact O-N 3.29Å; S5-L8 PolarHBondContact O-N 3.01Å; L8-S11 PolarHBondContact O-N 2.77Å; L8-L12 WeakPolarHBondContact O-CB 2.99Å; L8-L12 PolarHBondContact O-N 2.82Å; L8-L83 HydrophobicContact CB-CD2 3.93Å
9V75.2Confident69.6Low13 Ų1384.9 Ų84.98%0.07948%0.482CS..Hα-helixtrans-66.2-41176.5170.50000111.2S5 L12 K13 P90S5-V9 WeakPolarHBondContact O-CG2 3.5Å; S5-V9 PolarHBondContact O-N 2.93Å; V9-L12 PolarHBondContact O-N 3.06Å; V9-K13 HydrophobicContact CG1-CD 4.48Å; V9-K13 WeakPolarHBondContact O-CG 3.27Å; V9-K13 PolarHBondContact O-N 3.45Å; V9-P90 HydrophobicContact CG1-CG 3.94Å; V9-P90 HydrophobicContact CG2-CG 4.33Å
10S74.6Confident69.5Low68 Ų6887.5 Ų87.548%0.47650%0.504SS..Hα-helixtrans-63.3-43.7174.8-176.30000111.9D6 K13 T14D6-S10 VanDerWaalsContact O-CB 3.25Å; D6-S10 WeakPolarHBondContact O-CB 3.33Å; D6-S10 PolarHBondContact O-N 3.24Å; S10-K13 PolarHBondContact O-N 3.15Å; S10-T14 PolarHBondContact O-N 2.61Å; S10-T14 PolarHBondContact O-OG1 3.48Å
11S78.8Confident69.8Low74 Ų7486.8 Ų86.852%0.51752%0.515SS..Hα-helixtrans-59.7-45.6174.3-175.80000111.4D7 L8 K13 T14 D15D7-S11 VanDerWaalsContact O-CB 3.25Å; D7-S11 WeakPolarHBondContact O-CB 3.26Å; D7-S11 PolarHBondContact O-N 3.22Å; L8-S11 PolarHBondContact O-N 2.77Å; S11-K13 PolarHBondContact O-N 3.16Å; S11-T14 PolarHBondContact O-N 2.82Å; S11-D15 WeakPolarHBondContact O-CB 3.46Å; S11-D15 PolarHBondContact O-N 2.93Å
12L79.8Confident71.8Confident10 Ų1081.5 Ų81.55%0.05247%0.468CS..Hα-helixtrans-59.8-43.2176.7-175.573.5000112.5L8 V9 D15 L16 Y75 L83 P90 L92L8-L12 WeakPolarHBondContact O-CB 2.99Å; L8-L12 PolarHBondContact O-N 2.82Å; V9-L12 PolarHBondContact O-N 3.06Å; L12-D15 PolarHBondContact O-N 3.06Å; L12-L16 HydrophobicContact CD1-CD1 3.73Å; L12-L16 HydrophobicContact CD1-CG 4.28Å; L12-L16 HydrophobicContact CD2-CD1 4.41Å; L12-L16 HydrophobicContact CG-CD1 3.82Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.84Å; L12-Y75 HydrophobicContact CD1-CE1 4.17Å; L12-L83 HydrophobicContact CB-CD2 4.44Å; L12-L83 HydrophobicContact CD1-CD1 4Å; L12-L83 HydrophobicContact CD2-CD1 3.91Å; L12-L83 HydrophobicContact CD2-CD2 4.45Å; L12-L83 HydrophobicContact CG-CD1 4.44Å; L12-P90 HydrophobicContact CD2-CB 4.32Å; L12-P90 HydrophobicContact CD2-CG 3.88Å; L12-L92 HydrophobicContact CD1-CD1 3.68Å; L12-L92 HydrophobicContact CD2-CD1 4.34Å
13K77.8Confident73.7Confident142 Ų14277.5 Ų77.562%0.61745%0.448SS*.Hα-helixtrans-65.7-39.9178.5-74.4175.2-178.4172.90112.2V9 S10 S11 S17V9-K13 HydrophobicContact CG1-CD 4.48Å; V9-K13 WeakPolarHBondContact O-CG 3.27Å; V9-K13 PolarHBondContact O-N 3.45Å; S10-K13 PolarHBondContact O-N 3.15Å; S11-K13 PolarHBondContact O-N 3.16Å; K13-S17 PolarHBondContact O-N 2.66Å
14T75.9Confident75.6Confident96 Ų9670.5 Ų70.559%0.58941%0.412SS*.Hα-helixtrans-65.9-45.6176.4-55.40000110.2S10 S11 S17S10-T14 PolarHBondContact O-N 2.61Å; S10-T14 PolarHBondContact O-OG1 3.48Å; S11-T14 PolarHBondContact O-N 2.82Å; T14-S17 VanDerWaalsContact O-CB 3.26Å; T14-S17 WeakPolarHBondContact O-CB 3.26Å; T14-S17 PolarHBondContact O-N 3.13Å; T14-S17 PolarHBondContact O-OG 2.8Å
15D77.9Confident77.4Confident52 Ų5262.6 Ų62.628%0.27838%0.376SS..Hα-helixtrans-58.4-56.9177.1-174.215000109.7S11 L12 S17 R54 Y75S11-D15 WeakPolarHBondContact O-CB 3.46Å; S11-D15 PolarHBondContact O-N 2.93Å; L12-D15 PolarHBondContact O-N 3.06Å; D15-S17 PolarHBondContact O-N 2.87Å; D15-R54 VanDerWaalsContact C-NH1 3.31Å; D15-R54 PolarHBondContact O-NH1 3.3Å; D15-R54 PolarHBondContact O-NH2 3.01Å; D15-R54 IonicContact OD1-CZ 3.48Å; D15-R54 IonicContact OD1-NH1 2.7Å; D15-R54 PolarHBondContact OD1-NH1 3.22Å; D15-R54 IonicContact OD1-NH2 3.71Å; D15-R54 PolarHBondContact OD1-NH2 3.14Å; D15-R54 VanDerWaalsContact OD1-NH2 3.14Å; D15-R54 IonicContact OD2-NH1 3.17Å; D15-R54 PolarHBondContact OD2-NH1 2.83Å; D15-R54 VanDerWaalsContact OD2-NH1 3.12Å; D15-Y75 PolarHBondContact OD2-OH 3.45Å
16L81.4Confident79.3Confident17 Ų1761.9 Ų61.99%0.08937%0.37CS..THydrogen-bonded Turntrans-77.214.2-178.6-63.5171.1000114.7L12 E95 L96 W99L12-L16 HydrophobicContact CD1-CD1 3.73Å; L12-L16 HydrophobicContact CD1-CG 4.28Å; L12-L16 HydrophobicContact CD2-CD1 4.41Å; L12-L16 HydrophobicContact CG-CD1 3.82Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.84Å; L16-E95 HydrophobicContact CD1-CB 3.6Å; L16-L96 HydrophobicContact CD2-CD2 3.89Å; L16-W99 HydrophobicContact CD2-CB 3.63Å; L16-W99 HydrophobicContact CD2-CD2 4.07Å; L16-W99 HydrophobicContact CD2-CG 3.49Å; L16-W99 VanDerWaalsContact CD2-CG 3.49Å
17S77.5Confident80.9Confident70 Ų7057.5 Ų57.549%0.4935%0.347SS..  trans-65.9141.2177.668.30000111.7K13 T14 D15K13-S17 PolarHBondContact O-N 2.66Å; T14-S17 VanDerWaalsContact O-CB 3.26Å; T14-S17 WeakPolarHBondContact O-CB 3.26Å; T14-S17 PolarHBondContact O-N 3.13Å; T14-S17 PolarHBondContact O-OG 2.8Å; D15-S17 PolarHBondContact O-N 2.87Å
18K70.5Confident82.1Confident128 Ų12852.2 Ų52.256%0.55732%0.319SS*.  trans-92.4106-172.8-68.3-163.7167.5-169.20111.7R24 R98K18-R24 VanDerWaalsContact C-NH2 3.27Å; K18-R24 VanDerWaalsContact CG-CZ 3.41Å; K18-R24 VanDerWaalsContact CG-NH1 3.27Å; K18-R98 VanDerWaalsContact CE-O 3.27Å; K18-R98 WeakPolarHBondContact CE-O 3.25Å; K18-R98 PolarHBondContact NZ-O 3.39Å
19S66.6Low83.4Confident60 Ų6048.1 Ų48.142%0.4230%0.297SS..  trans-76.6141.4166.659.90000112.3T22 R24S19-T22 PolarHBondContact OG-OG1 3.06Å; S19-T22 VanDerWaalsContact OG-OG1 3.06Å; S19-R24 VanDerWaalsContact N-NH2 3.11Å; S19-R24 PolarHBondContact O-NH2 3Å
20C66.8Low84.5Confident136 Ų13647.5 Ų47.592%0.91929%0.294SS*.THydrogen-bonded Turntrans-74.9135.8177.2-169.30000110.2
21G75.2Confident85.5Confident73 Ų7345.3 Ų45.375%0.75328%0.281SS*.THydrogen-bonded Turntrans87.53176.400000116.2
22T89Confident86.4Confident37 Ų3742.6 Ų42.623%0.22726%0.262CS..  trans-110.5128.3179.3-480000110.8S19 G50 D52S19-T22 PolarHBondContact OG-OG1 3.06Å; S19-T22 VanDerWaalsContact OG-OG1 3.06Å; T22-G50 CarbonylContact C-O 3.57Å; T22-G50 WeakPolarHBondContact CA-O 3.42Å; T22-G50 WeakPolarHBondContact CG2-O 3.44Å; T22-D52 HydrophobicContact CG2-CB 3.6Å
23V94.5Very high87Confident22 Ų2246.6 Ų46.613%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-83.8126.6171.2-1790000109.5V25 G50 V51 D52 D101 L201 P202V23-V25 HydrophobicContact CG1-CG2 4.35Å; V23-G50 PolarHBondContact N-O 3.44Å; V23-V51 WeakPolarHBondContact O-CA 3.41Å; V23-D52 PolarHBondContact O-N 2.8Å; V23-D101 HydrophobicContact CG1-CB 4.27Å; V23-L201 HydrophobicContact CB-CD2 3.67Å; V23-L201 HydrophobicContact CG1-CD2 3.68Å; V23-L201 HydrophobicContact CG2-CD2 3.73Å; V23-P202 VanDerWaalsContact CG2-CD 3.48Å; V23-P202 HydrophobicContact CG2-CG 4.18Å
24R96.4Very high87.9Confident13 Ų1340.6 Ų40.65%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-97.8115.4-178.3-67.2164-168.3113.623111.1K18 S19 D52 W99 D101 L102K18-R24 VanDerWaalsContact C-NH2 3.27Å; K18-R24 VanDerWaalsContact CG-CZ 3.41Å; K18-R24 VanDerWaalsContact CG-NH1 3.27Å; S19-R24 VanDerWaalsContact N-NH2 3.11Å; S19-R24 PolarHBondContact O-NH2 3Å; R24-D52 CarbonylContact C-O 3.48Å; R24-D52 WeakPolarHBondContact CA-O 3.49Å; R24-D52 HydrophobicContact CG-CB 4.36Å; R24-W99 HydrophobicContact CB-CD2 3.99Å; R24-W99 HydrophobicContact CB-CE3 4.04Å; R24-W99 HydrophobicContact CB-CH2 3.61Å; R24-W99 HydrophobicContact CB-CZ2 3.56Å; R24-W99 HydrophobicContact CB-CZ3 3.86Å; R24-W99 VanDerWaalsContact CD-CE2 3.45Å; R24-W99 WeakPolarHBondContact CD-O 3.5Å; R24-W99 HydrophobicContact CG-CD2 4.18Å; R24-W99 HydrophobicContact CG-CH2 4.1Å; R24-W99 HydrophobicContact CG-CZ2 3.5Å; R24-D101 WeakPolarHBondContact CB-OD2 3.31Å; R24-D101 PolarHBondContact N-OD2 3.4Å; R24-D101 IonicContact NH1-OD2 2.65Å; R24-D101 PolarHBondContact O-N 2.9Å; R24-L102 PolarHBondContact O-N 2.9Å; R24-L102 VanDerWaalsContact O-N 3.13Å
25V97.9Very high88.9Confident0 Ų036 Ų360%024%0.236CC..EExtended strand (participates in β ladder)trans-105.5115.1-178.9-177.40000109V23 V27 L45 V51 D52 V53 R54 L102 I104 V197V23-V25 HydrophobicContact CG1-CG2 4.35Å; V25-V27 HydrophobicContact CG1-CG2 4.11Å; V25-L45 HydrophobicContact CG1-CD1 4.41Å; V25-V51 HydrophobicContact CB-CG1 4.32Å; V25-V51 HydrophobicContact CG2-CG1 3.74Å; V25-D52 PolarHBondContact N-O 3.44Å; V25-V53 WeakPolarHBondContact O-CA 3.34Å; V25-R54 PolarHBondContact O-N 3.02Å; V25-R54 VanDerWaalsContact O-N 3.07Å; V25-L102 HydrophobicContact CG1-CD2 4.1Å; V25-L102 HydrophobicContact CG2-CB 4.38Å; V25-L102 HydrophobicContact CG2-CD2 3.92Å; V25-I104 HydrophobicContact CG1-CD1 3.5Å; V25-I104 HydrophobicContact CG1-CG1 4.25Å; V25-V197 HydrophobicContact CG2-CG1 4.25Å
26L98.7Very high89.8Confident0 Ų038.3 Ų38.30%025%0.248CC..EExtended strand (participates in β ladder)trans-93.7123.2172.3-170.460.7000108.9R54 I56 L96 W99 A100 L102 L103 I104 V128L26-R54 HydrophobicContact CD1-CB 3.89Å; L26-I56 HydrophobicContact CD1-CD1 3.96Å; L26-I56 HydrophobicContact CD1-CG1 3.91Å; L26-I56 HydrophobicContact CD2-CD1 3.74Å; L26-I56 HydrophobicContact CG-CD1 3.99Å; L26-I56 HydrophobicContact CG-CG1 4.37Å; L26-L96 HydrophobicContact CD1-CD2 4.44Å; L26-L96 HydrophobicContact CD2-CB 4.16Å; L26-W99 HydrophobicContact CB-CZ3 4.17Å; L26-W99 HydrophobicContact CD1-CZ3 4.26Å; L26-A100 HydrophobicContact CB-CB 3.63Å; L26-A100 HydrophobicContact CD2-CB 3.99Å; L26-A100 HydrophobicContact CG-CB 4.46Å; L26-L102 PolarHBondContact N-O 2.97Å; L26-L103 HydrophobicContact CB-CD1 4.05Å; L26-L103 HydrophobicContact CD2-CD1 4.15Å; L26-L103 HydrophobicContact CG-CD1 3.99Å; L26-L103 CarbonylContact O-C 3.5Å; L26-L103 WeakPolarHBondContact O-CA 3.38Å; L26-L103 WeakPolarHBondContact O-CD1 3.42Å; L26-I104 PolarHBondContact O-N 3.17Å; L26-V128 HydrophobicContact CD2-CG1 3.92Å
27V98.8Very high90.6Very high0 Ų039.7 Ų39.70%025%0.253CS..EExtended strand (participates in β ladder)trans-107.3109.7-179.2-178.60000109.1V25 V29 L38 L41 L45 V53 R54 V55 I56 I104V25-V27 HydrophobicContact CG1-CG2 4.11Å; V27-V29 HydrophobicContact CG1-CG2 4.09Å; V27-L38 HydrophobicContact CG1-CD1 4.06Å; V27-L41 HydrophobicContact CG1-CD2 4.16Å; V27-L45 HydrophobicContact CG2-CD1 3.82Å; V27-V53 HydrophobicContact CG2-CG1 3.88Å; V27-R54 PolarHBondContact N-O 3.03Å; V27-V55 HydrophobicContact CB-CG2 4.25Å; V27-V55 CarbonylContact O-C 3.55Å; V27-V55 VanDerWaalsContact O-CA 3.26Å; V27-V55 WeakPolarHBondContact O-CA 3.26Å; V27-I56 PolarHBondContact O-N 3.02Å; V27-I104 CarbonylContact C-O 3.6Å; V27-I104 WeakPolarHBondContact CA-O 3.26Å
28G98.8Very high91.6Very high0 Ų036.4 Ų36.40%023%0.23CC..EExtended strand (participates in β ladder)trans-84.2133.8169.600000111.6I56 I104 I105 A106G28-I56 CarbonylContact C-O 3.54Å; G28-I56 WeakPolarHBondContact CA-O 3.38Å; G28-I104 PolarHBondContact N-O 3.31Å; G28-I105 CarbonylContact O-C 3.5Å; G28-I105 VanDerWaalsContact O-CA 3.3Å; G28-I105 WeakPolarHBondContact O-CA 3.33Å; G28-A106 PolarHBondContact O-N 3.49Å
29V98.6Very high92.9Very high0 Ų031.8 Ų31.80%021%0.213CC..EExtended strand (participates in β ladder)trans-128.4128.3-177.1-168.90000108.7V27 A35 L38 V55 I56 T58 A61 Y65V27-V29 HydrophobicContact CG1-CG2 4.09Å; V29-A35 HydrophobicContact CG1-CB 3.72Å; V29-L38 HydrophobicContact CB-CD2 4.45Å; V29-L38 HydrophobicContact CG1-CD2 4.17Å; V29-L38 HydrophobicContact CG2-CD1 3.46Å; V29-L38 VanDerWaalsContact CG2-CD1 3.46Å; V29-L38 HydrophobicContact CG2-CD2 3.78Å; V29-L38 HydrophobicContact CG2-CG 4.16Å; V29-V55 HydrophobicContact CG2-CG1 3.79Å; V29-I56 PolarHBondContact N-O 3.23Å; V29-T58 PolarHBondContact O-N 2.95Å; V29-A61 HydrophobicContact CB-CB 4.37Å; V29-A61 HydrophobicContact CG1-CB 3.94Å; V29-Y65 HydrophobicContact CG1-CE1 4.37Å
30T98.6Very high94.4Very high0 Ų032.5 Ų32.50%022%0.215CC..  trans-120.3175.6-175.967.10000112.2S32 T58 A61 I105 P107 L108 D109 T112 L125T30-S32 VanDerWaalsContact C-N 3.31Å; T30-S32 PolarHBondContact O-N 2.96Å; T30-T58 HydrophobicContact CG2-CG2 4.22Å; T30-A61 WeakPolarHBondContact O-CB 3.26Å; T30-I105 HydrophobicContact CG2-CG2 3.96Å; T30-P107 PolarHBondContact N-O 3.24Å; T30-P107 PolarHBondContact OG1-O 2.7Å; T30-L108 HydrophobicContact CG2-CD1 4.45Å; T30-L108 WeakPolarHBondContact OG1-CA 3.48Å; T30-D109 WeakPolarHBondContact CB-OD2 3.28Å; T30-D109 PolarHBondContact OG1-N 3.28Å; T30-T112 HydrophobicContact CG2-CG2 3.74Å; T30-T112 WeakPolarHBondContact CG2-OG1 3.42Å; T30-L125 HydrophobicContact CG2-CD2 3.6Å
31G96.9Very high95.9Very high21 Ų2126.1 Ų26.122%0.21617%0.171CC..SBendtrans-75.571.9-170.500000113.7D109G31-D109 VanDerWaalsContact CA-OD2 3.31Å; G31-D109 WeakPolarHBondContact CA-OD2 3.32Å; G31-D109 PolarHBondContact N-OD2 2.91Å
32S95.8Very high96.9Very high17 Ų1722.7 Ų22.712%0.11914%0.136CC..SBendtrans-132.4148173.2179.90000110.2T30 A34 A35 F64 A143T30-S32 VanDerWaalsContact C-N 3.31Å; T30-S32 PolarHBondContact O-N 2.96Å; S32-A34 PolarHBondContact O-N 2.75Å; S32-A35 WeakPolarHBondContact O-CB 3.25Å; S32-A35 PolarHBondContact O-N 3.33Å; S32-F64 WeakPolarHBondContact O-CD2 3.44Å; S32-F64 WeakPolarHBondContact O-CG 3.47Å; S32-A143 WeakPolarHBondContact CB-O 3.34Å; S32-A143 WeakPolarHBondContact OG-CB 3.5Å; S32-A143 PolarHBondContact OG-O 2.97Å
33V94Very high97.4Very high94 Ų9423.7 Ų23.757%0.5715%0.145SC*.G310 helixtrans-52.7-30.9175.2177.70000111.4A35 L36 F64V33-A35 PolarHBondContact O-N 2.94Å; V33-L36 HydrophobicContact CG1-CD2 3.84Å; V33-L36 WeakPolarHBondContact O-CD2 3.29Å; V33-L36 WeakPolarHBondContact O-CG 3.28Å; V33-L36 PolarHBondContact O-N 3.47Å; V33-F64 HydrophobicContact CB-CD1 4.43Å; V33-F64 HydrophobicContact CB-CE1 4.44Å; V33-F64 HydrophobicContact CG2-CD1 4.16Å; V33-F64 HydrophobicContact CG2-CE1 3.74Å; V33-F64 HydrophobicContact CG2-CZ 4.46Å
34A95.9Very high97.5Very high17 Ų1725.4 Ų25.414%0.1415%0.151CC..G310 helixtrans-60.9-15.1176.600000114.4S32 L36 K37 P107 A143 M187S32-A34 PolarHBondContact O-N 2.75Å; A34-L36 PolarHBondContact O-N 3.44Å; A34-K37 WeakPolarHBondContact O-CB 3.4Å; A34-K37 PolarHBondContact O-N 3.06Å; A34-P107 HydrophobicContact CB-CB 3.97Å; A34-P107 HydrophobicContact CB-CG 4.15Å; A34-A143 HydrophobicContact CB-CB 3.83Å; A34-M187 HydrophobicContact CB-CB 3.75Å; A34-M187 HydrophobicContact CB-CE 4.11Å; A34-M187 HydrophobicContact CB-CG 4.45Å; A34-M187 HydrophobicContact CB-SD 3.95Å
35A97.6Very high97.6Very high0 Ų024.8 Ų24.80%015%0.149CC..G310 helixtrans-63.5-18.3175.100000112.8V29 S32 V33 K37 L38 F64 Y65 P107V29-A35 HydrophobicContact CG1-CB 3.72Å; S32-A35 WeakPolarHBondContact O-CB 3.25Å; S32-A35 PolarHBondContact O-N 3.33Å; V33-A35 PolarHBondContact O-N 2.94Å; A35-K37 PolarHBondContact O-N 3.26Å; A35-K37 VanDerWaalsContact O-N 3.08Å; A35-L38 WeakPolarHBondContact O-CB 3.42Å; A35-L38 PolarHBondContact O-N 3.41Å; A35-F64 HydrophobicContact CB-CB 3.98Å; A35-Y65 HydrophobicContact CB-CD1 4.3Å; A35-P107 HydrophobicContact CB-CG 3.92Å
36L96.9Very high97.5Very high100 Ų10028.1 Ų28.152%0.52417%0.166SC..G310 helixtrans-56.4-22.716872.288.3000113.1V33 A34 L38V33-L36 HydrophobicContact CG1-CD2 3.84Å; V33-L36 WeakPolarHBondContact O-CD2 3.29Å; V33-L36 WeakPolarHBondContact O-CG 3.28Å; V33-L36 PolarHBondContact O-N 3.47Å; A34-L36 PolarHBondContact O-N 3.44Å; L36-L38 VanDerWaalsContact C-N 3.3Å
37K97.1Very high97.4Very high45 Ų4534.9 Ų34.920%0.19620%0.198CC..G310 helixtrans-82.5-4177.5-61.8-169.7177.7-174.20113A34 A35 V40 L41 M187 E189 V190A34-K37 WeakPolarHBondContact O-CB 3.4Å; A34-K37 PolarHBondContact O-N 3.06Å; A35-K37 PolarHBondContact O-N 3.26Å; A35-K37 VanDerWaalsContact O-N 3.08Å; K37-V40 PolarHBondContact O-N 3.31Å; K37-L41 PolarHBondContact O-N 3.49Å; K37-M187 HydrophobicContact CB-CE 4.05Å; K37-M187 HydrophobicContact CD-CE 3.9Å; K37-M187 HydrophobicContact CG-CE 4.45Å; K37-E189 IonicContact NZ-OE1 2.76Å; K37-E189 IonicContact NZ-OE2 2.77Å; K37-E189 PolarHBondContact NZ-OE2 2.94Å; K37-V190 HydrophobicContact CB-CG2 4.07Å; K37-V190 HydrophobicContact CD-CG2 4.14Å
38L98.1Very high97.1Very high2 Ų235.5 Ų35.51%0.0120%0.201CC..Hα-helixtrans-57.4-47.2-177.3174.267.2000113.5V27 V29 A35 L36 V40 L41 V42 V55 Y65 V70V27-L38 HydrophobicContact CG1-CD1 4.06Å; V29-L38 HydrophobicContact CB-CD2 4.45Å; V29-L38 HydrophobicContact CG1-CD2 4.17Å; V29-L38 HydrophobicContact CG2-CD1 3.46Å; V29-L38 VanDerWaalsContact CG2-CD1 3.46Å; V29-L38 HydrophobicContact CG2-CD2 3.78Å; V29-L38 HydrophobicContact CG2-CG 4.16Å; A35-L38 WeakPolarHBondContact O-CB 3.42Å; A35-L38 PolarHBondContact O-N 3.41Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L38-V40 VanDerWaalsContact C-N 3.25Å; L38-V40 PolarHBondContact O-N 3.34Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.17Å; L38-V42 HydrophobicContact CD1-CG2 3.81Å; L38-V42 HydrophobicContact CG-CG2 4.34Å; L38-V42 WeakPolarHBondContact O-CG2 3.37Å; L38-V42 PolarHBondContact O-N 2.73Å; L38-V55 HydrophobicContact CD1-CG1 4.49Å; L38-V55 HydrophobicContact CD1-CG2 4.34Å; L38-V55 HydrophobicContact CD2-CG1 4.22Å; L38-Y65 HydrophobicContact CD2-CD1 4.2Å; L38-Y65 HydrophobicContact CD2-CD2 3.88Å; L38-Y65 HydrophobicContact CD2-CE1 3.85Å; L38-Y65 HydrophobicContact CD2-CE2 3.5Å; L38-Y65 HydrophobicContact CD2-CG 4.22Å; L38-Y65 VanDerWaalsContact CD2-CZ 3.47Å; L38-V70 HydrophobicContact CD2-CG2 3.78Å; L38-V70 HydrophobicContact CG-CG2 4.01Å
39P97.9Very high96.7Very high31 Ų3141.2 Ų41.220%0.20124%0.241CC..Hα-helixtrans-56.3-41.1177.9-28.938.1000112.9S43 D69 V70P39-S43 VanDerWaalsContact O-CB 3.31Å; P39-S43 WeakPolarHBondContact O-CB 3.34Å; P39-S43 PolarHBondContact O-N 2.7Å; P39-D69 HydrophobicContact CB-CB 4.32Å; P39-D69 WeakPolarHBondContact CB-O 3.5Å; P39-D69 HydrophobicContact CG-CB 3.83Å; P39-V70 HydrophobicContact CG-CG2 4.18Å
40V98Very high96.3Very high74 Ų7443 Ų4345%0.44826%0.26SS..Hα-helixtrans-67.4-45178.2-175.90000110.7K37 L38 V42 S43 E44 V190K37-V40 PolarHBondContact O-N 3.31Å; L38-V40 VanDerWaalsContact C-N 3.25Å; L38-V40 PolarHBondContact O-N 3.34Å; V40-V42 PolarHBondContact O-N 2.94Å; V40-S43 PolarHBondContact O-N 3.2Å; V40-E44 PolarHBondContact O-N 2.94Å; V40-V190 HydrophobicContact CG1-CG1 4.31Å; V40-V190 HydrophobicContact CG1-CG2 4.42Å
41L98.3Very high96.2Very high2 Ų243.9 Ų43.91%0.0127%0.265CS..Hα-helixtrans-58.7-48.4176.7175.662.4000112.1V27 K37 L38 S43 E44 L45 A106 V190 I193 V194V27-L41 HydrophobicContact CG1-CD2 4.16Å; K37-L41 PolarHBondContact O-N 3.49Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.17Å; L41-S43 PolarHBondContact O-N 3.41Å; L41-E44 PolarHBondContact O-N 2.82Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CG 4.13Å; L41-L45 HydrophobicContact CG-CD1 4.02Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.36Å; L41-L45 PolarHBondContact O-N 2.99Å; L41-A106 HydrophobicContact CD2-CB 3.87Å; L41-V190 HydrophobicContact CB-CG1 4Å; L41-V190 HydrophobicContact CB-CG2 4.44Å; L41-V190 HydrophobicContact CD1-CG1 3.92Å; L41-I193 HydrophobicContact CD1-CB 4.15Å; L41-I193 HydrophobicContact CD1-CG2 3.81Å; L41-V194 HydrophobicContact CD1-CG2 3.99Å
42V98.1Very high96.1Very high1 Ų145.1 Ų45.11%0.00627%0.267CS..Hα-helixtrans-62.1-45.2178.2169.80000110.7L38 V40 E44 L45 L46 V53 V55 V70 V72L38-V42 HydrophobicContact CD1-CG2 3.81Å; L38-V42 HydrophobicContact CG-CG2 4.34Å; L38-V42 WeakPolarHBondContact O-CG2 3.37Å; L38-V42 PolarHBondContact O-N 2.73Å; V40-V42 PolarHBondContact O-N 2.94Å; V42-E44 PolarHBondContact O-N 3.13Å; V42-L45 PolarHBondContact O-N 2.89Å; V42-L46 HydrophobicContact CG1-CD1 3.97Å; V42-L46 HydrophobicContact CG1-CG 4.37Å; V42-L46 WeakPolarHBondContact O-CG 3.26Å; V42-L46 PolarHBondContact O-N 3.01Å; V42-V53 HydrophobicContact CG2-CG1 4.47Å; V42-V55 HydrophobicContact CG2-CG2 3.85Å; V42-V70 HydrophobicContact CG1-CG1 4.32Å; V42-V70 HydrophobicContact CG2-CG1 4.1Å; V42-V72 HydrophobicContact CG1-CB 4.34Å; V42-V72 HydrophobicContact CG1-CG1 3.64Å; V42-V72 HydrophobicContact CG1-CG2 3.76Å; V42-V72 HydrophobicContact CG2-CG2 4.41Å
43S97.8Very high96.2Very high59 Ų5944.4 Ų44.441%0.41326%0.261SS..Hα-helixtrans-58.9-46.4178.1-177.10000112.3P39 V40 L41 L46 Q47P39-S43 VanDerWaalsContact O-CB 3.31Å; P39-S43 WeakPolarHBondContact O-CB 3.34Å; P39-S43 PolarHBondContact O-N 2.7Å; V40-S43 PolarHBondContact O-N 3.2Å; L41-S43 PolarHBondContact O-N 3.41Å; S43-L46 PolarHBondContact O-N 3.34Å; S43-Q47 WeakPolarHBondContact O-CG 3.41Å; S43-Q47 PolarHBondContact O-N 2.83Å
44E98Very high96.4Very high58 Ų5840.4 Ų40.427%0.27124%0.236SC..Hα-helixtrans-69.2-32.3178.3-70.9-172.6-157.400113.1V40 L41 V42 Q47 V190 V194V40-E44 PolarHBondContact O-N 2.94Å; L41-E44 PolarHBondContact O-N 2.82Å; V42-E44 PolarHBondContact O-N 3.13Å; E44-Q47 PolarHBondContact O-N 3.47Å; E44-V190 HydrophobicContact CB-CG1 4.39Å; E44-V190 HydrophobicContact CG-CG1 4.32Å; E44-V190 WeakPolarHBondContact OE2-CG1 3.48Å; E44-V194 HydrophobicContact CB-CG2 3.77Å
45L97.3Very high96.5Very high0 Ų039.6 Ų39.60%023%0.229CC..Hα-helixtrans-67.8-40173.9-71.8172.5000111.9V25 V27 L41 V42 Q47 L48 V53 V194 V197V25-L45 HydrophobicContact CG1-CD1 4.41Å; V27-L45 HydrophobicContact CG2-CD1 3.82Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CG 4.13Å; L41-L45 HydrophobicContact CG-CD1 4.02Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.36Å; L41-L45 PolarHBondContact O-N 2.99Å; V42-L45 PolarHBondContact O-N 2.89Å; L45-Q47 PolarHBondContact O-N 3.11Å; L45-L48 HydrophobicContact CD2-CD1 4.24Å; L45-L48 VanDerWaalsContact O-CB 3.26Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 WeakPolarHBondContact O-CG 3.42Å; L45-L48 PolarHBondContact O-N 3.44Å; L45-V53 HydrophobicContact CB-CG2 3.85Å; L45-V194 HydrophobicContact CD2-CG2 4Å; L45-V194 HydrophobicContact CG-CG2 4.22Å; L45-V197 HydrophobicContact CD2-CB 4.04Å; L45-V197 HydrophobicContact CD2-CG1 3.97Å; L45-V197 HydrophobicContact CD2-CG2 3.79Å
46L96.3Very high96.6Very high70 Ų7039.6 Ų39.637%0.36623%0.229SC..Hα-helixtrans-68.2-19.5177-71.1174.1000113.4V42 S43 L48 V53 S71 V72V42-L46 HydrophobicContact CG1-CD1 3.97Å; V42-L46 HydrophobicContact CG1-CG 4.37Å; V42-L46 WeakPolarHBondContact O-CG 3.26Å; V42-L46 PolarHBondContact O-N 3.01Å; S43-L46 PolarHBondContact O-N 3.34Å; L46-L48 PolarHBondContact O-N 3.36Å; L46-V53 HydrophobicContact CD2-CB 4.12Å; L46-V53 HydrophobicContact CD2-CG2 3.89Å; L46-V53 HydrophobicContact CG-CG2 4.28Å; L46-S71 WeakPolarHBondContact CD1-OG 3.4Å; L46-V72 HydrophobicContact CD1-CG1 3.7Å; L46-V72 HydrophobicContact CD2-CG1 4.16Å; L46-V72 HydrophobicContact CG-CG1 4.3Å
47Q95.9Very high96.6Very high141 Ų14134.9 Ų34.966%0.65921%0.205SC*.THydrogen-bonded Turntrans-72.9-14.4171.8-69.6171.224.700112.6S43 E44 L45S43-Q47 WeakPolarHBondContact O-CG 3.41Å; S43-Q47 PolarHBondContact O-N 2.83Å; E44-Q47 PolarHBondContact O-N 3.47Å; L45-Q47 PolarHBondContact O-N 3.11Å
48L93.5Very high96.7Very high14 Ų1432.9 Ų32.97%0.07320%0.196CC..SBendtrans-75.9129.5174.6-52.4-175.8000109.7L45 L46 G50 V51 V194 V197 R198 L201L45-L48 HydrophobicContact CD2-CD1 4.24Å; L45-L48 VanDerWaalsContact O-CB 3.26Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 WeakPolarHBondContact O-CG 3.42Å; L45-L48 PolarHBondContact O-N 3.44Å; L46-L48 PolarHBondContact O-N 3.36Å; L48-G50 PolarHBondContact O-N 3.35Å; L48-V51 HydrophobicContact CB-CB 4.15Å; L48-V51 HydrophobicContact CB-CG2 3.59Å; L48-V51 HydrophobicContact CD1-CG2 4.35Å; L48-V51 PolarHBondContact O-N 3.07Å; L48-V194 HydrophobicContact CD1-CG1 4.09Å; L48-V194 HydrophobicContact CD2-CG1 4.06Å; L48-V194 HydrophobicContact CG-CG1 4.37Å; L48-V197 HydrophobicContact CD1-CG1 4.21Å; L48-R198 HydrophobicContact CD1-CG 3.95Å; L48-R198 HydrophobicContact CD2-CG 3.9Å; L48-L201 HydrophobicContact CB-CD1 4.05Å; L48-L201 HydrophobicContact CD1-CD1 3.78Å; L48-L201 HydrophobicContact CG-CD1 4.47Å
49S90.8Very high96.6Very high120 Ų12036.6 Ų36.684%0.83921%0.214SC*.THydrogen-bonded Turntrans-64.2134.2178.7-52.90000111.3
50G90.4Very high96.5Very high38 Ų3841 Ų4139%0.39223%0.231SC..THydrogen-bonded Turntrans69.730.1177.600000113.7T22 V23 L48T22-G50 CarbonylContact C-O 3.57Å; T22-G50 WeakPolarHBondContact CA-O 3.42Å; T22-G50 WeakPolarHBondContact CG2-O 3.44Å; V23-G50 PolarHBondContact N-O 3.44Å; L48-G50 PolarHBondContact O-N 3.35Å
51V95Very high96.5Very high17 Ų1737.4 Ų37.410%0.10321%0.21CC..EExtended strand (participates in β ladder)trans-112.8130.6174.8176.50000110.6V23 V25 L48 V53 L201V23-V51 WeakPolarHBondContact O-CA 3.41Å; V25-V51 HydrophobicContact CB-CG1 4.32Å; V25-V51 HydrophobicContact CG2-CG1 3.74Å; L48-V51 HydrophobicContact CB-CB 4.15Å; L48-V51 HydrophobicContact CB-CG2 3.59Å; L48-V51 HydrophobicContact CD1-CG2 4.35Å; L48-V51 PolarHBondContact O-N 3.07Å; V51-V53 HydrophobicContact CG1-CG2 3.72Å; V51-L201 HydrophobicContact CG2-CD1 3.69Å; V51-L201 HydrophobicContact CG2-CD2 3.76Å; V51-L201 HydrophobicContact CG2-CG 4.42Å
52D96.1Very high96.3Very high48 Ų4840.3 Ų40.326%0.25722%0.222SC..EExtended strand (participates in β ladder)trans-112.5130.9169.5-177.87.6000108.7T22 V23 R24 V25 R54 W99T22-D52 HydrophobicContact CG2-CB 3.6Å; V23-D52 PolarHBondContact O-N 2.8Å; R24-D52 CarbonylContact C-O 3.48Å; R24-D52 WeakPolarHBondContact CA-O 3.49Å; R24-D52 HydrophobicContact CG-CB 4.36Å; V25-D52 PolarHBondContact N-O 3.44Å; D52-R54 IonicContact OD2-NH2 3.94Å; D52-W99 HydrophobicContact CB-CZ2 4.23Å; D52-W99 WeakPolarHBondContact OD2-CZ2 3.18Å
53V97.4Very high96.2Very high2 Ų247.6 Ų47.61%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-120.5130.7-170.9-1750000110.2V25 V27 V42 L45 L46 V51 V72V25-V53 WeakPolarHBondContact O-CA 3.34Å; V27-V53 HydrophobicContact CG2-CG1 3.88Å; V42-V53 HydrophobicContact CG2-CG1 4.47Å; L45-V53 HydrophobicContact CB-CG2 3.85Å; L46-V53 HydrophobicContact CD2-CB 4.12Å; L46-V53 HydrophobicContact CD2-CG2 3.89Å; L46-V53 HydrophobicContact CG-CG2 4.28Å; V51-V53 HydrophobicContact CG1-CG2 3.72Å; V53-V72 HydrophobicContact CB-CG1 4.36Å; V53-V72 HydrophobicContact CG1-CG2 4.45Å; V53-V72 WeakPolarHBondContact O-CB 3.24Å
54R98.1Very high96.2Very high9 Ų948.4 Ų48.43%0.03425%0.252CS..EExtended strand (participates in β ladder)trans-125.7152.8167.3-71.3172.9-156-127.3-8110.2D15 V25 L26 V27 D52 Y75 W99D15-R54 VanDerWaalsContact C-NH1 3.31Å; D15-R54 PolarHBondContact O-NH1 3.3Å; D15-R54 PolarHBondContact O-NH2 3.01Å; D15-R54 IonicContact OD1-CZ 3.48Å; D15-R54 IonicContact OD1-NH1 2.7Å; D15-R54 PolarHBondContact OD1-NH1 3.22Å; D15-R54 IonicContact OD1-NH2 3.71Å; D15-R54 PolarHBondContact OD1-NH2 3.14Å; D15-R54 VanDerWaalsContact OD1-NH2 3.14Å; D15-R54 IonicContact OD2-NH1 3.17Å; D15-R54 PolarHBondContact OD2-NH1 2.83Å; D15-R54 VanDerWaalsContact OD2-NH1 3.12Å; V25-R54 PolarHBondContact O-N 3.02Å; V25-R54 VanDerWaalsContact O-N 3.07Å; L26-R54 HydrophobicContact CD1-CB 3.89Å; V27-R54 PolarHBondContact N-O 3.03Å; D52-R54 IonicContact OD2-NH2 3.94Å; R54-Y75 HydrophobicContact CB-CE2 4.06Å; R54-Y75 HydrophobicContact CG-CE2 4.1Å; R54-Y75 PolarHBondContact NH1-OH 2.87Å; R54-W99 HydrophobicContact CB-CH2 3.83Å; R54-W99 HydrophobicContact CB-CZ3 3.84Å; R54-W99 HydrophobicContact CG-CH2 3.58Å; R54-W99 HydrophobicContact CG-CZ2 3.87Å; R54-W99 HydrophobicContact CG-CZ3 3.98Å
55V98.6Very high96Very high0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-116.3135.4-179.2176.10000110.2V27 V29 L38 V42 V70 V72 K73 I74 Y75V27-V55 HydrophobicContact CB-CG2 4.25Å; V27-V55 CarbonylContact O-C 3.55Å; V27-V55 VanDerWaalsContact O-CA 3.26Å; V27-V55 WeakPolarHBondContact O-CA 3.26Å; V29-V55 HydrophobicContact CG2-CG1 3.79Å; L38-V55 HydrophobicContact CD1-CG1 4.49Å; L38-V55 HydrophobicContact CD1-CG2 4.34Å; L38-V55 HydrophobicContact CD2-CG1 4.22Å; V42-V55 HydrophobicContact CG2-CG2 3.85Å; V55-V70 HydrophobicContact CG2-CG1 4.2Å; V55-V72 HydrophobicContact CG2-CG2 3.68Å; V55-K73 PolarHBondContact N-O 3.2Å; V55-I74 HydrophobicContact CB-CG1 4.21Å; V55-I74 HydrophobicContact CB-CG2 4.42Å; V55-I74 HydrophobicContact CG1-CG1 4.47Å; V55-I74 HydrophobicContact CG1-CG2 4.13Å; V55-I74 CarbonylContact O-C 3.59Å; V55-I74 WeakPolarHBondContact O-CA 3.47Å; V55-Y75 WeakPolarHBondContact O-CD2 3.38Å; V55-Y75 PolarHBondContact O-N 2.9Å
56I98.6Very high95.9Very high0 Ų050.5 Ų50.50%026%0.264CS..EExtended strand (participates in β ladder)trans-108.1129159.9-60169.1000107.3L26 V27 G28 V29 Y75 L96 L124 L125 V128L26-I56 HydrophobicContact CD1-CD1 3.96Å; L26-I56 HydrophobicContact CD1-CG1 3.91Å; L26-I56 HydrophobicContact CD2-CD1 3.74Å; L26-I56 HydrophobicContact CG-CD1 3.99Å; L26-I56 HydrophobicContact CG-CG1 4.37Å; V27-I56 PolarHBondContact O-N 3.02Å; G28-I56 CarbonylContact C-O 3.54Å; G28-I56 WeakPolarHBondContact CA-O 3.38Å; V29-I56 PolarHBondContact N-O 3.23Å; I56-Y75 WeakPolarHBondContact CA-O 3.4Å; I56-L96 HydrophobicContact CD1-CD1 3.76Å; I56-L96 HydrophobicContact CG1-CD1 3.97Å; I56-L124 HydrophobicContact CD1-CG 4.47Å; I56-L124 HydrophobicContact CG1-CD2 4.46Å; I56-L124 HydrophobicContact CG2-CB 4.27Å; I56-L124 HydrophobicContact CG2-CD2 3.95Å; I56-L124 HydrophobicContact CG2-CG 3.91Å; I56-L125 HydrophobicContact CB-CD1 4.42Å; I56-L125 HydrophobicContact CG2-CB 3.79Å; I56-L125 HydrophobicContact CG2-CD1 4.41Å; I56-V128 HydrophobicContact CD1-CB 4.32Å; I56-V128 HydrophobicContact CD1-CG1 4.5Å; I56-V128 HydrophobicContact CD1-CG2 3.76Å
57T98.1Very high95.7Very high1 Ų150.1 Ų50.11%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-121.9133.7179.1-164.20000110.6A61 K62 Y65 I74 Y75 T76T57-A61 WeakPolarHBondContact OG1-CB 3.41Å; T57-K62 HydrophobicContact CG2-CG 4.06Å; T57-Y65 WeakPolarHBondContact CB-OH 3.44Å; T57-Y65 WeakPolarHBondContact CG2-OH 3.47Å; T57-Y65 PolarHBondContact OG1-OH 3.46Å; T57-I74 HydrophobicContact CG2-CG2 3.46Å; T57-I74 VanDerWaalsContact CG2-CG2 3.46Å; T57-Y75 PolarHBondContact N-O 3.24Å; T57-T76 HydrophobicContact CG2-CG2 3.85Å
58T98.3Very high95.6Very high4 Ų447.7 Ų47.73%0.02526%0.264CS..  trans-76.4157.3171.271.30000110.3V29 T30 H60 A61 L125V29-T58 PolarHBondContact O-N 2.95Å; T30-T58 HydrophobicContact CG2-CG2 4.22Å; T58-H60 PolarHBondContact O-N 3.14Å; T58-H60 VanDerWaalsContact O-N 3.13Å; T58-A61 WeakPolarHBondContact O-CB 3.32Å; T58-A61 PolarHBondContact O-N 2.63Å; T58-A61 PolarHBondContact OG1-N 2.75Å; T58-L125 HydrophobicContact CG2-CB 4.36Å; T58-L125 HydrophobicContact CG2-CD2 4.05Å
59E95.9Very high95.7Very high79 Ų7951.6 Ų51.637%0.36929%0.285SS..THydrogen-bonded Turntrans-54.7-35.4177.6-64.8-52.5130.100113A61 K62E59-A61 PolarHBondContact O-N 3.26Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 IonicContact OE1-NZ 3.08Å; E59-K62 PolarHBondContact OE1-NZ 2.89Å; E59-K62 IonicContact OE2-NZ 2.66Å; E59-K62 PolarHBondContact OE2-NZ 3.12Å
60H97Very high95.9Very high123 Ų12346.5 Ų46.557%0.56925%0.249SC*.THydrogen-bonded Turntrans-73.4-27.1-179.8-66.871.9000113T58 K62 H63 F64T58-H60 PolarHBondContact O-N 3.14Å; T58-H60 VanDerWaalsContact O-N 3.13Å; H60-K62 VanDerWaalsContact C-N 3.31Å; H60-K62 PolarHBondContact O-N 2.83Å; H60-H63 PolarHBondContact O-N 2.94Å; H60-F64 WeakPolarHBondContact O-CE2 3.48Å
61A97.1Very high96.1Very high0 Ų049.1 Ų49.10%026%0.261CS..G310 helixtrans-67.8-32.8177.600000112V29 T30 T57 T58 E59 H63 F64 Y65V29-A61 HydrophobicContact CB-CB 4.37Å; V29-A61 HydrophobicContact CG1-CB 3.94Å; T30-A61 WeakPolarHBondContact O-CB 3.26Å; T57-A61 WeakPolarHBondContact OG1-CB 3.41Å; T58-A61 WeakPolarHBondContact O-CB 3.32Å; T58-A61 PolarHBondContact O-N 2.63Å; T58-A61 PolarHBondContact OG1-N 2.75Å; E59-A61 PolarHBondContact O-N 3.26Å; A61-H63 PolarHBondContact O-N 3.02Å; A61-F64 PolarHBondContact O-N 3.42Å; A61-Y65 HydrophobicContact CB-CE1 4.23Å; A61-Y65 VanDerWaalsContact O-CD1 3.28Å; A61-Y65 WeakPolarHBondContact O-CD1 3.44Å; A61-Y65 WeakPolarHBondContact O-CE1 3.42Å
62K94.9Very high96.1Very high62 Ų6249.5 Ų49.527%0.2726%0.264SS..G310 helixtrans-61.3-15.6-179.7-60.2178.4-171.1168.20113.9T57 E59 H60 F64 T76T57-K62 HydrophobicContact CG2-CG 4.06Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 IonicContact OE1-NZ 3.08Å; E59-K62 PolarHBondContact OE1-NZ 2.89Å; E59-K62 IonicContact OE2-NZ 2.66Å; E59-K62 PolarHBondContact OE2-NZ 3.12Å; H60-K62 VanDerWaalsContact C-N 3.31Å; H60-K62 PolarHBondContact O-N 2.83Å; K62-F64 VanDerWaalsContact C-N 3.28Å; K62-F64 PolarHBondContact O-N 2.94Å; K62-T76 VanDerWaalsContact CE-CG2 3.44Å
63H95.9Very high96.1Very high154 Ų15452.1 Ų52.171%0.71327%0.273SS*.G310 helixtrans-73.9-16.7174.5-68.4-64.2000114H60 A61H60-H63 PolarHBondContact O-N 2.94Å; A61-H63 PolarHBondContact O-N 3.02Å
64F96Very high96.1Very high76 Ų7653.2 Ų53.233%0.33328%0.278SS..SBendtrans-109.1-11-169.6-60.7-68.4000114.7S32 V33 A35 H60 A61 K62S32-F64 WeakPolarHBondContact O-CD2 3.44Å; S32-F64 WeakPolarHBondContact O-CG 3.47Å; V33-F64 HydrophobicContact CB-CD1 4.43Å; V33-F64 HydrophobicContact CB-CE1 4.44Å; V33-F64 HydrophobicContact CG2-CD1 4.16Å; V33-F64 HydrophobicContact CG2-CE1 3.74Å; V33-F64 HydrophobicContact CG2-CZ 4.46Å; A35-F64 HydrophobicContact CB-CB 3.98Å; H60-F64 WeakPolarHBondContact O-CE2 3.48Å; A61-F64 PolarHBondContact O-N 3.42Å; K62-F64 VanDerWaalsContact C-N 3.28Å; K62-F64 PolarHBondContact O-N 2.94Å
65Y95.6Very high96.1Very high18 Ų1853 Ų537%0.07128%0.277CS..SBendtrans-149158.2178.376.8-81.6000109.5V29 A35 L38 T57 A61 P67 V70 I74V29-Y65 HydrophobicContact CG1-CE1 4.37Å; A35-Y65 HydrophobicContact CB-CD1 4.3Å; L38-Y65 HydrophobicContact CD2-CD1 4.2Å; L38-Y65 HydrophobicContact CD2-CD2 3.88Å; L38-Y65 HydrophobicContact CD2-CE1 3.85Å; L38-Y65 HydrophobicContact CD2-CE2 3.5Å; L38-Y65 HydrophobicContact CD2-CG 4.22Å; L38-Y65 VanDerWaalsContact CD2-CZ 3.47Å; T57-Y65 WeakPolarHBondContact CB-OH 3.44Å; T57-Y65 WeakPolarHBondContact CG2-OH 3.47Å; T57-Y65 PolarHBondContact OG1-OH 3.46Å; A61-Y65 HydrophobicContact CB-CE1 4.23Å; A61-Y65 VanDerWaalsContact O-CD1 3.28Å; A61-Y65 WeakPolarHBondContact O-CD1 3.44Å; A61-Y65 WeakPolarHBondContact O-CE1 3.42Å; Y65-P67 HydrophobicContact CE2-CG 4.45Å; Y65-V70 HydrophobicContact CD2-CG2 3.95Å; Y65-V70 HydrophobicContact CE2-CG2 3.82Å; Y65-I74 HydrophobicContact CE2-CD1 4.19Å
66N94.4Very high96Very high84 Ų8454 Ų5445%0.44928%0.284SS..  trans-91.9125.5173.5-171.3-15.5000109.8S68 D69N66-S68 PolarHBondContact ND2-OG 3.27Å; N66-S68 PolarHBondContact O-N 3.5Å; N66-S68 VanDerWaalsContact O-N 3.07Å; N66-S68 PolarHBondContact OD1-N 2.97Å; N66-S68 VanDerWaalsContact OD1-N 3.11Å; N66-S68 PolarHBondContact OD1-OG 2.93Å; N66-S68 VanDerWaalsContact OD1-OG 3.07Å; N66-D69 WeakPolarHBondContact CB-OD2 3.45Å; N66-D69 WeakPolarHBondContact O-CB 3.35Å; N66-D69 PolarHBondContact O-N 2.98Å
67P92.6Very high95.8Very high62 Ų6255.5 Ų55.540%0.40329%0.292SS..G310 helixtrans-50.1-29.9173.3-31.237.8000114.9Y65 D69 V70 I74Y65-P67 HydrophobicContact CE2-CG 4.45Å; P67-D69 PolarHBondContact O-N 3.37Å; P67-V70 PolarHBondContact O-N 3.28Å; P67-I74 HydrophobicContact CB-CD1 3.95Å
68S94.1Very high95.6Very high90 Ų9061.3 Ų61.363%0.62932%0.317SS*.G310 helixtrans-66-20177.162.30000114.3N66 V70N66-S68 PolarHBondContact ND2-OG 3.27Å; N66-S68 PolarHBondContact O-N 3.5Å; N66-S68 VanDerWaalsContact O-N 3.07Å; N66-S68 PolarHBondContact OD1-N 2.97Å; N66-S68 VanDerWaalsContact OD1-N 3.11Å; N66-S68 PolarHBondContact OD1-OG 2.93Å; N66-S68 VanDerWaalsContact OD1-OG 3.07Å; S68-V70 VanDerWaalsContact C-N 3.26Å; S68-V70 PolarHBondContact O-N 3.13Å
69D94.2Very high95.4Very high97 Ų9762.6 Ų62.652%0.51932%0.324SS..G310 helixtrans-84.1-6.8-176.6-57.3-16.1000112P39 N66 P67P39-D69 HydrophobicContact CB-CB 4.32Å; P39-D69 WeakPolarHBondContact CB-O 3.5Å; P39-D69 HydrophobicContact CG-CB 3.83Å; N66-D69 WeakPolarHBondContact CB-OD2 3.45Å; N66-D69 WeakPolarHBondContact O-CB 3.35Å; N66-D69 PolarHBondContact O-N 2.98Å; P67-D69 PolarHBondContact O-N 3.37Å
70V96.4Very high95Very high12 Ų1259.6 Ų59.67%0.07331%0.31CS..  trans-103.6117.8-178.1177.80000109L38 P39 V42 V55 Y65 P67 S68 V72 I74L38-V70 HydrophobicContact CD2-CG2 3.78Å; L38-V70 HydrophobicContact CG-CG2 4.01Å; P39-V70 HydrophobicContact CG-CG2 4.18Å; V42-V70 HydrophobicContact CG1-CG1 4.32Å; V42-V70 HydrophobicContact CG2-CG1 4.1Å; V55-V70 HydrophobicContact CG2-CG1 4.2Å; Y65-V70 HydrophobicContact CD2-CG2 3.95Å; Y65-V70 HydrophobicContact CE2-CG2 3.82Å; P67-V70 PolarHBondContact O-N 3.28Å; S68-V70 VanDerWaalsContact C-N 3.26Å; S68-V70 PolarHBondContact O-N 3.13Å; V70-V72 HydrophobicContact CG1-CG2 3.74Å; V70-V72 PolarHBondContact O-N 3.14Å; V70-V72 VanDerWaalsContact O-N 3.11Å; V70-I74 HydrophobicContact CB-CD1 3.82Å; V70-I74 HydrophobicContact CB-CG1 4.37Å; V70-I74 HydrophobicContact CG1-CD1 4.05Å; V70-I74 HydrophobicContact CG1-CG1 4.08Å; V70-I74 HydrophobicContact CG2-CD1 4.2Å
71S93.6Very high94.5Very high93 Ų9361.9 Ų61.965%0.6531%0.313SS*.  trans-78.812-172.162.40000115.3L46L46-S71 WeakPolarHBondContact CD1-OG 3.4Å
72V95.7Very high94Very high26 Ų2666.5 Ų66.516%0.15834%0.335CS..SBendtrans-129.5166.7-176.4-56.80000111.2V42 L46 V53 V55 V70 I74V42-V72 HydrophobicContact CG1-CB 4.34Å; V42-V72 HydrophobicContact CG1-CG1 3.64Å; V42-V72 HydrophobicContact CG1-CG2 3.76Å; V42-V72 HydrophobicContact CG2-CG2 4.41Å; L46-V72 HydrophobicContact CD1-CG1 3.7Å; L46-V72 HydrophobicContact CD2-CG1 4.16Å; L46-V72 HydrophobicContact CG-CG1 4.3Å; V53-V72 HydrophobicContact CB-CG1 4.36Å; V53-V72 HydrophobicContact CG1-CG2 4.45Å; V53-V72 WeakPolarHBondContact O-CB 3.24Å; V55-V72 HydrophobicContact CG2-CG2 3.68Å; V70-V72 HydrophobicContact CG1-CG2 3.74Å; V70-V72 PolarHBondContact O-N 3.14Å; V70-V72 VanDerWaalsContact O-N 3.11Å; V72-I74 PolarHBondContact O-N 3.43Å
73K95.8Very high93.2Very high102 Ų10264.3 Ų64.344%0.44333%0.326SS..  trans-62.6125.5176.2-177.362.8177.71720110.6V55 Y75V55-K73 PolarHBondContact N-O 3.2Å; K73-Y75 HydrophobicContact CB-CE2 4.43Å; K73-Y75 HydrophobicContact CG-CD2 4.35Å; K73-Y75 HydrophobicContact CG-CE1 4.05Å; K73-Y75 HydrophobicContact CG-CE2 3.73Å
74I97.4Very high92.3Very high26 Ų2662.5 Ų62.513%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-105.1131.8172.3-50.8179.5000108.4V55 T57 Y65 P67 V70 V72V55-I74 HydrophobicContact CB-CG1 4.21Å; V55-I74 HydrophobicContact CB-CG2 4.42Å; V55-I74 HydrophobicContact CG1-CG1 4.47Å; V55-I74 HydrophobicContact CG1-CG2 4.13Å; V55-I74 CarbonylContact O-C 3.59Å; V55-I74 WeakPolarHBondContact O-CA 3.47Å; T57-I74 HydrophobicContact CG2-CG2 3.46Å; T57-I74 VanDerWaalsContact CG2-CG2 3.46Å; Y65-I74 HydrophobicContact CE2-CD1 4.19Å; P67-I74 HydrophobicContact CB-CD1 3.95Å; V70-I74 HydrophobicContact CB-CD1 3.82Å; V70-I74 HydrophobicContact CB-CG1 4.37Å; V70-I74 HydrophobicContact CG1-CD1 4.05Å; V70-I74 HydrophobicContact CG1-CG1 4.08Å; V70-I74 HydrophobicContact CG2-CD1 4.2Å; V72-I74 PolarHBondContact O-N 3.43Å
75Y97.7Very high91.5Very high3 Ų363.1 Ų63.11%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-108.7148.5169.6-54.6-90.1000110.3L12 D15 R54 V55 I56 T57 K73 L92 L96L12-Y75 HydrophobicContact CD1-CE1 4.17Å; D15-Y75 PolarHBondContact OD2-OH 3.45Å; R54-Y75 HydrophobicContact CB-CE2 4.06Å; R54-Y75 HydrophobicContact CG-CE2 4.1Å; R54-Y75 PolarHBondContact NH1-OH 2.87Å; V55-Y75 WeakPolarHBondContact O-CD2 3.38Å; V55-Y75 PolarHBondContact O-N 2.9Å; I56-Y75 WeakPolarHBondContact CA-O 3.4Å; T57-Y75 PolarHBondContact N-O 3.24Å; K73-Y75 HydrophobicContact CB-CE2 4.43Å; K73-Y75 HydrophobicContact CG-CD2 4.35Å; K73-Y75 HydrophobicContact CG-CE1 4.05Å; K73-Y75 HydrophobicContact CG-CE2 3.73Å; Y75-L92 HydrophobicContact CD1-CD1 4.1Å; Y75-L92 HydrophobicContact CD1-CD2 4.15Å; Y75-L92 HydrophobicContact CE1-CD1 4.19Å; Y75-L96 HydrophobicContact CD2-CD1 4.26Å; Y75-L96 HydrophobicContact CD2-CD2 3.9Å; Y75-L96 HydrophobicContact CE1-CD2 4.47Å; Y75-L96 HydrophobicContact CE2-CD2 3.64Å; Y75-L96 HydrophobicContact CG-CD1 4.18Å; Y75-L96 HydrophobicContact CG-CD2 4.41Å
76T97Very high90.7Very high21 Ų2166.5 Ų66.513%0.12934%0.342CS..  trans-133.7167.7-175.4690000109.6T57 K62 K78 D79 L124T57-T76 HydrophobicContact CG2-CG2 3.85Å; K62-T76 VanDerWaalsContact CE-CG2 3.44Å; T76-K78 PolarHBondContact O-N 3.18Å; T76-K78 VanDerWaalsContact O-N 3.11Å; T76-K78 PolarHBondContact OG1-N 3.21Å; T76-D79 WeakPolarHBondContact CA-OD2 3.4Å; T76-D79 WeakPolarHBondContact CB-OD2 3.5Å; T76-D79 PolarHBondContact N-OD2 3.1Å; T76-D79 WeakPolarHBondContact O-CB 3.41Å; T76-D79 PolarHBondContact O-N 3.43Å; T76-D79 PolarHBondContact OG1-OD2 3.05Å; T76-L124 VanDerWaalsContact O-CD2 3.31Å; T76-L124 WeakPolarHBondContact O-CD2 3.49Å
77D95.1Very high89.9Confident32 Ų3273.6 Ų73.617%0.17136%0.363CS..Hα-helixtrans-58.1-27.5176.1-59.8-22.7000112E80 N123 L124D77-E80 WeakPolarHBondContact O-CB 3.44Å; D77-E80 PolarHBondContact O-N 3.31Å; D77-N123 WeakPolarHBondContact OD1-CB 3.46Å; D77-N123 WeakPolarHBondContact OD2-CB 3.38Å; D77-L124 VanDerWaalsContact OD1-CB 3.3Å; D77-L124 WeakPolarHBondContact OD1-CB 3.19Å; D77-L124 PolarHBondContact OD1-N 2.65Å
78K93.7Very high89.4Confident124 Ų12475.4 Ų75.454%0.53938%0.377SS..Hα-helixtrans-67.4-39.3177-174.8177.9164.9-170.40112.3T76 E80 W81 E82T76-K78 PolarHBondContact O-N 3.18Å; T76-K78 VanDerWaalsContact O-N 3.11Å; T76-K78 PolarHBondContact OG1-N 3.21Å; K78-E80 PolarHBondContact O-N 2.82Å; K78-W81 PolarHBondContact O-N 3.13Å; K78-E82 WeakPolarHBondContact CE-OE1 3.29Å; K78-E82 WeakPolarHBondContact CE-OE2 3.15Å; K78-E82 HydrophobicContact CG-CG 4.16Å; K78-E82 IonicContact NZ-OE1 2.77Å; K78-E82 PolarHBondContact NZ-OE1 3.37Å; K78-E82 VanDerWaalsContact NZ-OE1 3.08Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.02Å
79D92.4Very high88.8Confident30 Ų3072 Ų7216%0.1635%0.352CS..Hα-helixtrans-62.2-31179.5-60.9-87.5000111.5T76 W81 L83 L92T76-D79 WeakPolarHBondContact CA-OD2 3.4Å; T76-D79 WeakPolarHBondContact CB-OD2 3.5Å; T76-D79 PolarHBondContact N-OD2 3.1Å; T76-D79 WeakPolarHBondContact O-CB 3.41Å; T76-D79 PolarHBondContact O-N 3.43Å; T76-D79 PolarHBondContact OG1-OD2 3.05Å; D79-W81 VanDerWaalsContact C-N 3.33Å; D79-W81 PolarHBondContact O-N 3.07Å; D79-L83 WeakPolarHBondContact O-CB 3.26Å; D79-L83 VanDerWaalsContact O-CD1 3.3Å; D79-L83 WeakPolarHBondContact O-CD1 3.48Å; D79-L83 VanDerWaalsContact O-CG 3.25Å; D79-L83 WeakPolarHBondContact O-CG 3.5Å; D79-L83 PolarHBondContact O-N 3.36Å; D79-L92 HydrophobicContact CB-CD2 3.72Å
80E88.4Confident88.3Confident17 Ų1768.6 Ų68.68%0.07934%0.335CS..Hα-helixtrans-60.9-42.1178.6-176165-157.200112.5D77 K78 L92 H93 L124D77-E80 WeakPolarHBondContact O-CB 3.44Å; D77-E80 PolarHBondContact O-N 3.31Å; K78-E80 PolarHBondContact O-N 2.82Å; E80-L92 HydrophobicContact CB-CD2 4.36Å; E80-H93 IonicContact OE1-CE1 3.14Å; E80-H93 PolarHBondContact OE1-CE1 2.86Å; E80-H93 IonicContact OE1-CG 3.78Å; E80-H93 IonicContact OE1-ND1 2.75Å; E80-H93 PolarHBondContact OE1-ND1 2.86Å; E80-L124 HydrophobicContact CB-CD1 4.39Å
81W85.8Confident88.1Confident171 Ų17170.6 Ų70.665%0.64835%0.347SS*.Hα-helixtrans-89.7-28.9-176.7-58.2106000113K78 D79 L83 W84K78-W81 PolarHBondContact O-N 3.13Å; D79-W81 VanDerWaalsContact C-N 3.33Å; D79-W81 PolarHBondContact O-N 3.07Å; W81-L83 PolarHBondContact O-N 3.44Å; W81-W84 PolarHBondContact O-N 2.99Å
82E86.8Confident88.2Confident96 Ų9666.2 Ų66.245%0.44932%0.316SS..Hα-helixtrans-67.6-26.8174.3-74.3-171.9146.500112.5K78K78-E82 WeakPolarHBondContact CE-OE1 3.29Å; K78-E82 WeakPolarHBondContact CE-OE2 3.15Å; K78-E82 HydrophobicContact CG-CG 4.16Å; K78-E82 IonicContact NZ-OE1 2.77Å; K78-E82 PolarHBondContact NZ-OE1 3.37Å; K78-E82 VanDerWaalsContact NZ-OE1 3.08Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.02Å
83L78.8Confident88.2Confident17 Ų1766.8 Ų66.89%0.08932%0.317CS..SBendtrans-86.2-15.5177.5-70.4167.8000114L8 L12 D79 W81 D89 L92L8-L83 HydrophobicContact CB-CD2 3.93Å; L12-L83 HydrophobicContact CB-CD2 4.44Å; L12-L83 HydrophobicContact CD1-CD1 4Å; L12-L83 HydrophobicContact CD2-CD1 3.91Å; L12-L83 HydrophobicContact CD2-CD2 4.45Å; L12-L83 HydrophobicContact CG-CD1 4.44Å; D79-L83 WeakPolarHBondContact O-CB 3.26Å; D79-L83 VanDerWaalsContact O-CD1 3.3Å; D79-L83 WeakPolarHBondContact O-CD1 3.48Å; D79-L83 VanDerWaalsContact O-CG 3.25Å; D79-L83 WeakPolarHBondContact O-CG 3.5Å; D79-L83 PolarHBondContact O-N 3.36Å; W81-L83 PolarHBondContact O-N 3.44Å; L83-D89 WeakPolarHBondContact O-CB 3.48Å; L83-L92 HydrophobicContact CD1-CB 4.23Å; L83-L92 HydrophobicContact CD1-CD1 3.85Å; L83-L92 HydrophobicContact CD1-CD2 4.07Å; L83-L92 HydrophobicContact CD1-CG 4.25Å
84W77.1Confident88.2Confident115 Ų11564.3 Ų64.344%0.43631%0.308SS..  trans-10889.2-174.8-166.377.5000111W81W81-W84 PolarHBondContact O-N 2.99Å
85T78.1Confident88.2Confident90 Ų9065.3 Ų65.355%0.55231%0.313SS*.SBendtrans-108.9-31.1-178.561.20000113D89T85-D89 WeakPolarHBondContact CA-OD2 3.4Å; T85-D89 PolarHBondContact N-OD2 2.86Å; T85-D89 PolarHBondContact OG1-OD2 3.3Å
86D79.1Confident88.1Confident88 Ų8865.2 Ų65.247%0.47131%0.312SS..SBendtrans-124157.2175.3-168.7-78.6000110.6S88 D89D86-S88 PolarHBondContact O-N 3.46Å; D86-S88 VanDerWaalsContact O-N 3.13Å; D86-S88 PolarHBondContact OD1-N 3.49Å; D86-S88 PolarHBondContact OD1-OG 3.04Å; D86-D89 PolarHBondContact N-OD2 2.97Å; D86-D89 WeakPolarHBondContact O-CB 3.44Å; D86-D89 PolarHBondContact O-N 3.37Å
87R78.7Confident88.1Confident233 Ų23367 Ų6788%0.87932%0.317SS*.THydrogen-bonded Turntrans-62.1-20.8177.1-67.8-176.1177.4-173.1-0.7113.3
88S80.7Confident88.1Confident100 Ų10072 Ų7270%0.69933%0.333SS*.THydrogen-bonded Turntrans-84.3-9.617756.70000114D86D86-S88 PolarHBondContact O-N 3.46Å; D86-S88 VanDerWaalsContact O-N 3.13Å; D86-S88 PolarHBondContact OD1-N 3.49Å; D86-S88 PolarHBondContact OD1-OG 3.04Å
89D82.4Confident88.3Confident20 Ų2066.2 Ų66.211%0.10731%0.308CS..SBendtrans-70.2148.5-178.5-72.6-22.4000112.3L83 T85 D86 V91L83-D89 WeakPolarHBondContact O-CB 3.48Å; T85-D89 WeakPolarHBondContact CA-OD2 3.4Å; T85-D89 PolarHBondContact N-OD2 2.86Å; T85-D89 PolarHBondContact OG1-OD2 3.3Å; D86-D89 PolarHBondContact N-OD2 2.97Å; D86-D89 WeakPolarHBondContact O-CB 3.44Å; D86-D89 PolarHBondContact O-N 3.37Å; D89-V91 PolarHBondContact O-N 3.48Å
90P84.7Confident88.5Confident24 Ų2464.8 Ų64.816%0.15630%0.3CS..  trans-64.2136.4177.227.2-34.1000111.4V9 L12 L92 E95V9-P90 HydrophobicContact CG1-CG 3.94Å; V9-P90 HydrophobicContact CG2-CG 4.33Å; L12-P90 HydrophobicContact CD2-CB 4.32Å; L12-P90 HydrophobicContact CD2-CG 3.88Å; P90-L92 PolarHBondContact O-N 2.82Å; P90-E95 HydrophobicContact CB-CG 3.85Å
91V92.1Very high88.9Confident54 Ų5466.6 Ų66.633%0.32731%0.31SS..  trans-85.9109.5175.8-177.90000109D89 H93 I94 E95D89-V91 PolarHBondContact O-N 3.48Å; V91-H93 WeakPolarHBondContact CG1-CE1 3.3Å; V91-H93 WeakPolarHBondContact CG1-ND1 3.26Å; V91-H93 PolarHBondContact O-N 2.85Å; V91-I94 HydrophobicContact CB-CB 4.35Å; V91-I94 HydrophobicContact CB-CG1 4.14Å; V91-I94 HydrophobicContact CG1-CG1 4.03Å; V91-I94 WeakPolarHBondContact O-CB 3.35Å; V91-I94 PolarHBondContact O-N 3.13Å; V91-E95 PolarHBondContact O-N 2.8Å; V91-E95 VanDerWaalsContact O-N 3.07Å
92L94.4Very high89.5Confident1 Ų158.5 Ų58.51%0.00528%0.28CS..Hα-helixtrans-52.7-46.8-168.6179.762.5000113.8L12 Y75 D79 E80 L83 P90 I94 E95 L96 L124L12-L92 HydrophobicContact CD1-CD1 3.68Å; L12-L92 HydrophobicContact CD2-CD1 4.34Å; Y75-L92 HydrophobicContact CD1-CD1 4.1Å; Y75-L92 HydrophobicContact CD1-CD2 4.15Å; Y75-L92 HydrophobicContact CE1-CD1 4.19Å; D79-L92 HydrophobicContact CB-CD2 3.72Å; E80-L92 HydrophobicContact CB-CD2 4.36Å; L83-L92 HydrophobicContact CD1-CB 4.23Å; L83-L92 HydrophobicContact CD1-CD1 3.85Å; L83-L92 HydrophobicContact CD1-CD2 4.07Å; L83-L92 HydrophobicContact CD1-CG 4.25Å; P90-L92 PolarHBondContact O-N 2.82Å; L92-I94 VanDerWaalsContact C-N 3.26Å; L92-I94 PolarHBondContact O-N 3.07Å; L92-E95 PolarHBondContact O-N 2.81Å; L92-E95 VanDerWaalsContact O-N 3.13Å; L92-L96 HydrophobicContact CD1-CD1 3.97Å; L92-L96 HydrophobicContact CD1-CD2 4.47Å; L92-L96 HydrophobicContact CD1-CG 3.94Å; L92-L96 HydrophobicContact CD2-CD1 4.37Å; L92-L96 HydrophobicContact CG-CD1 3.85Å; L92-L96 HydrophobicContact CG-CG 4.24Å; L92-L96 WeakPolarHBondContact O-CG 3.34Å; L92-L96 PolarHBondContact O-N 3.41Å; L92-L124 HydrophobicContact CB-CD1 4.49Å; L92-L124 HydrophobicContact CD2-CD1 4Å; L92-L124 HydrophobicContact CD2-CD2 3.81Å; L92-L124 HydrophobicContact CG-CD1 4.08Å
93H96.2Very high90Very high39 Ų3954 Ų5418%0.18126%0.259CS..Hα-helixtrans-62.5-33-179.761.8-101.7000112.7E80 V91 R97 L124 C127 V128E80-H93 IonicContact OE1-CE1 3.14Å; E80-H93 PolarHBondContact OE1-CE1 2.86Å; E80-H93 IonicContact OE1-CG 3.78Å; E80-H93 IonicContact OE1-ND1 2.75Å; E80-H93 PolarHBondContact OE1-ND1 2.86Å; V91-H93 WeakPolarHBondContact CG1-CE1 3.3Å; V91-H93 WeakPolarHBondContact CG1-ND1 3.26Å; V91-H93 PolarHBondContact O-N 2.85Å; H93-R97 VanDerWaalsContact O-CB 3.26Å; H93-R97 WeakPolarHBondContact O-CB 3.26Å; H93-R97 PolarHBondContact O-N 2.83Å; H93-L124 HydrophobicContact CB-CD1 3.82Å; H93-C127 HydrophobicContact CB-CB 3.82Å; H93-V128 HydrophobicContact CB-CG2 3.7Å; H93-V128 WeakPolarHBondContact O-CG2 3.49Å
94I96.4Very high91Very high49 Ų4953.1 Ų53.125%0.25125%0.254SS..Hα-helixtrans-71.4-40.6175.3-60.6-59.3000110.4V91 L92 R97 R98 A131V91-I94 HydrophobicContact CB-CB 4.35Å; V91-I94 HydrophobicContact CB-CG1 4.14Å; V91-I94 HydrophobicContact CG1-CG1 4.03Å; V91-I94 WeakPolarHBondContact O-CB 3.35Å; V91-I94 PolarHBondContact O-N 3.13Å; L92-I94 VanDerWaalsContact C-N 3.26Å; L92-I94 PolarHBondContact O-N 3.07Å; I94-R97 WeakPolarHBondContact O-CB 3.49Å; I94-R97 PolarHBondContact O-N 3.23Å; I94-R98 HydrophobicContact CG2-CG 4.49Å; I94-R98 WeakPolarHBondContact O-CB 3.34Å; I94-R98 VanDerWaalsContact O-CG 3.29Å; I94-R98 WeakPolarHBondContact O-CG 3.19Å; I94-R98 PolarHBondContact O-N 2.73Å; I94-A131 HydrophobicContact CD1-CB 3.98Å
95E96.1Very high92Very high48 Ų4847.7 Ų47.722%0.22423%0.234CC..Hα-helixtrans-67.5-42.7178.5-66.2-53.1123.200112.1L16 P90 V91 L92 R97 R98 W99L16-E95 HydrophobicContact CD1-CB 3.6Å; P90-E95 HydrophobicContact CB-CG 3.85Å; V91-E95 PolarHBondContact O-N 2.8Å; V91-E95 VanDerWaalsContact O-N 3.07Å; L92-E95 PolarHBondContact O-N 2.81Å; L92-E95 VanDerWaalsContact O-N 3.13Å; E95-R97 VanDerWaalsContact C-N 3.33Å; E95-R97 PolarHBondContact O-N 3.05Å; E95-R98 WeakPolarHBondContact O-CB 3.46Å; E95-R98 PolarHBondContact O-N 3.31Å; E95-R98 VanDerWaalsContact O-N 3.11Å; E95-R98 IonicContact OE1-CZ 2.82Å; E95-R98 IonicContact OE1-NH1 3.55Å; E95-R98 PolarHBondContact OE1-NH1 2.92Å; E95-W99 WeakPolarHBondContact O-CB 3.41Å; E95-W99 PolarHBondContact O-N 2.77Å
96L97.3Very high93Very high0 Ų043.5 Ų43.50%021%0.208CC..Hα-helixtrans-61.9-41.6173-68.7173.5000111.6L16 L26 I56 Y75 L92 R98 W99 A100 L124 V128L16-L96 HydrophobicContact CD2-CD2 3.89Å; L26-L96 HydrophobicContact CD1-CD2 4.44Å; L26-L96 HydrophobicContact CD2-CB 4.16Å; I56-L96 HydrophobicContact CD1-CD1 3.76Å; I56-L96 HydrophobicContact CG1-CD1 3.97Å; Y75-L96 HydrophobicContact CD2-CD1 4.26Å; Y75-L96 HydrophobicContact CD2-CD2 3.9Å; Y75-L96 HydrophobicContact CE1-CD2 4.47Å; Y75-L96 HydrophobicContact CE2-CD2 3.64Å; Y75-L96 HydrophobicContact CG-CD1 4.18Å; Y75-L96 HydrophobicContact CG-CD2 4.41Å; L92-L96 HydrophobicContact CD1-CD1 3.97Å; L92-L96 HydrophobicContact CD1-CD2 4.47Å; L92-L96 HydrophobicContact CD1-CG 3.94Å; L92-L96 HydrophobicContact CD2-CD1 4.37Å; L92-L96 HydrophobicContact CG-CD1 3.85Å; L92-L96 HydrophobicContact CG-CG 4.24Å; L92-L96 WeakPolarHBondContact O-CG 3.34Å; L92-L96 PolarHBondContact O-N 3.41Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.41Å; L96-W99 PolarHBondContact O-N 3.01Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 2.59Å; L96-L124 HydrophobicContact CD1-CD1 4.13Å; L96-L124 HydrophobicContact CD1-CD2 4.18Å; L96-L124 HydrophobicContact CD1-CG 4.42Å; L96-V128 HydrophobicContact CB-CG2 4.16Å
97R96.5Very high93.9Very high60 Ų6039.3 Ų39.323%0.22619%0.186CC..Hα-helixtrans-59.7-42.7172.1177.9-85.5-171.1-139.15.8111.4H93 I94 E95 V128 A131 W132 D133 R136H93-R97 VanDerWaalsContact O-CB 3.26Å; H93-R97 WeakPolarHBondContact O-CB 3.26Å; H93-R97 PolarHBondContact O-N 2.83Å; I94-R97 WeakPolarHBondContact O-CB 3.49Å; I94-R97 PolarHBondContact O-N 3.23Å; E95-R97 VanDerWaalsContact C-N 3.33Å; E95-R97 PolarHBondContact O-N 3.05Å; R97-V128 HydrophobicContact CB-CG1 4.49Å; R97-A131 WeakPolarHBondContact CG-O 3.4Å; R97-A131 PolarHBondContact NE-O 3.23Å; R97-W132 HydrophobicContact CG-CE3 4.2Å; R97-D133 IonicContact CZ-OD2 3.69Å; R97-D133 IonicContact NH1-OD2 3.46Å; R97-D133 PolarHBondContact NH1-OD2 3.03Å; R97-D133 VanDerWaalsContact NH2-CG 3.27Å; R97-D133 IonicContact NH2-OD2 3.54Å; R97-D133 PolarHBondContact NH2-OD2 3.4Å; R97-R136 PolarHBondContact O-NH1 3.5Å; R97-R136 PolarHBondContact O-NH2 3.49Å
98R95.4Very high94.8Very high135 Ų13528.2 Ų28.251%0.50914%0.144SC..Hα-helixtrans-69.2-35.8178.9-76.7169.4173.9170.4-2.3112.3K18 I94 E95 L96K18-R98 VanDerWaalsContact CE-O 3.27Å; K18-R98 WeakPolarHBondContact CE-O 3.25Å; K18-R98 PolarHBondContact NZ-O 3.39Å; I94-R98 HydrophobicContact CG2-CG 4.49Å; I94-R98 WeakPolarHBondContact O-CB 3.34Å; I94-R98 VanDerWaalsContact O-CG 3.29Å; I94-R98 WeakPolarHBondContact O-CG 3.19Å; I94-R98 PolarHBondContact O-N 2.73Å; E95-R98 WeakPolarHBondContact O-CB 3.46Å; E95-R98 PolarHBondContact O-N 3.31Å; E95-R98 VanDerWaalsContact O-N 3.11Å; E95-R98 IonicContact OE1-CZ 2.82Å; E95-R98 IonicContact OE1-NH1 3.55Å; E95-R98 PolarHBondContact OE1-NH1 2.92Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.41Å
99W96.3Very high95.7Very high3 Ų324.2 Ų24.21%0.01111%0.114CC..Hα-helixtrans-68.6-51.3-180175.187.1000111.7L16 R24 L26 D52 R54 E95 L96L16-W99 HydrophobicContact CD2-CB 3.63Å; L16-W99 HydrophobicContact CD2-CD2 4.07Å; L16-W99 HydrophobicContact CD2-CG 3.49Å; L16-W99 VanDerWaalsContact CD2-CG 3.49Å; R24-W99 HydrophobicContact CB-CD2 3.99Å; R24-W99 HydrophobicContact CB-CE3 4.04Å; R24-W99 HydrophobicContact CB-CH2 3.61Å; R24-W99 HydrophobicContact CB-CZ2 3.56Å; R24-W99 HydrophobicContact CB-CZ3 3.86Å; R24-W99 VanDerWaalsContact CD-CE2 3.45Å; R24-W99 WeakPolarHBondContact CD-O 3.5Å; R24-W99 HydrophobicContact CG-CD2 4.18Å; R24-W99 HydrophobicContact CG-CH2 4.1Å; R24-W99 HydrophobicContact CG-CZ2 3.5Å; L26-W99 HydrophobicContact CB-CZ3 4.17Å; L26-W99 HydrophobicContact CD1-CZ3 4.26Å; D52-W99 HydrophobicContact CB-CZ2 4.23Å; D52-W99 WeakPolarHBondContact OD2-CZ2 3.18Å; R54-W99 HydrophobicContact CB-CH2 3.83Å; R54-W99 HydrophobicContact CB-CZ3 3.84Å; R54-W99 HydrophobicContact CG-CH2 3.58Å; R54-W99 HydrophobicContact CG-CZ2 3.87Å; R54-W99 HydrophobicContact CG-CZ3 3.98Å; E95-W99 WeakPolarHBondContact O-CB 3.41Å; E95-W99 PolarHBondContact O-N 2.77Å; L96-W99 PolarHBondContact O-N 3.01Å
100A97.5Very high96.4Very high0 Ų024.1 Ų24.10%012%0.116CC..  trans-69.8135.2-170.800000113.6L26 L96 W132 R136L26-A100 HydrophobicContact CB-CB 3.63Å; L26-A100 HydrophobicContact CD2-CB 3.99Å; L26-A100 HydrophobicContact CG-CB 4.46Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 2.59Å; A100-W132 HydrophobicContact CB-CH2 3.73Å; A100-W132 HydrophobicContact CB-CZ3 3.91Å; A100-R136 VanDerWaalsContact O-CZ 3.26Å; A100-R136 PolarHBondContact O-NH1 3.28Å
101D96.9Very high97.1Very high55 Ų5527.5 Ų27.529%0.29413%0.133SC..SBendtrans-92.7-25.9171.1-56.3-55.2000111.2V23 R24V23-D101 HydrophobicContact CG1-CB 4.27Å; R24-D101 WeakPolarHBondContact CB-OD2 3.31Å; R24-D101 PolarHBondContact N-OD2 3.4Å; R24-D101 IonicContact NH1-OD2 2.65Å; R24-D101 PolarHBondContact O-N 2.9Å
102L97.3Very high97.4Very high2 Ų225 Ų251%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-137.3136.3-179.9179.474.2000109.4R24 V25 L26 I104 P137 L139 V197 Y200R24-L102 PolarHBondContact O-N 2.9Å; R24-L102 VanDerWaalsContact O-N 3.13Å; V25-L102 HydrophobicContact CG1-CD2 4.1Å; V25-L102 HydrophobicContact CG2-CB 4.38Å; V25-L102 HydrophobicContact CG2-CD2 3.92Å; L26-L102 PolarHBondContact N-O 2.97Å; L102-I104 HydrophobicContact CD2-CD1 3.96Å; L102-I104 HydrophobicContact CD2-CG1 4.11Å; L102-I104 HydrophobicContact CG-CD1 4.5Å; L102-I104 HydrophobicContact CG-CG1 4.14Å; L102-P137 HydrophobicContact CB-CG 4.46Å; L102-P137 HydrophobicContact CD1-CB 3.48Å; L102-P137 VanDerWaalsContact CD1-CB 3.48Å; L102-P137 HydrophobicContact CD1-CG 3.27Å; L102-P137 HydrophobicContact CG-CG 4.46Å; L102-L139 HydrophobicContact CD1-CD1 3.32Å; L102-L139 HydrophobicContact CG-CD1 4.32Å; L102-V197 HydrophobicContact CD2-CB 4.28Å; L102-V197 HydrophobicContact CD2-CG1 3.65Å; L102-V197 HydrophobicContact CD2-CG2 4.13Å; L102-Y200 HydrophobicContact CD1-CD2 4.21Å; L102-Y200 HydrophobicContact CD1-CG 4.19Å
103L98.8Very high97.6Very high0 Ų025 Ų250%012%0.118CC..EExtended strand (participates in β ladder)trans-114.1134.8169.4173.658.8000109.8L26 I105 V128 V129 W132 P137 L138 L139L26-L103 HydrophobicContact CB-CD1 4.05Å; L26-L103 HydrophobicContact CD2-CD1 4.15Å; L26-L103 HydrophobicContact CG-CD1 3.99Å; L26-L103 CarbonylContact O-C 3.5Å; L26-L103 WeakPolarHBondContact O-CA 3.38Å; L26-L103 WeakPolarHBondContact O-CD1 3.42Å; L103-I105 HydrophobicContact CG-CG1 4.49Å; L103-V128 HydrophobicContact CD2-CG1 4.23Å; L103-V129 HydrophobicContact CD2-CG2 3.9Å; L103-W132 HydrophobicContact CB-CD2 4.3Å; L103-W132 HydrophobicContact CB-CE3 4.22Å; L103-W132 HydrophobicContact CB-CH2 3.58Å; L103-W132 HydrophobicContact CB-CZ2 3.65Å; L103-W132 HydrophobicContact CB-CZ3 3.87Å; L103-W132 HydrophobicContact CD2-CD2 4.16Å; L103-W132 HydrophobicContact CD2-CE3 3.96Å; L103-W132 HydrophobicContact CD2-CZ3 4.28Å; L103-P137 PolarHBondContact N-O 3.38Å; L103-P137 VanDerWaalsContact N-O 3.13Å; L103-L138 HydrophobicContact CB-CG 4.19Å; L103-L138 HydrophobicContact CD2-CD1 3.7Å; L103-L138 HydrophobicContact CD2-CG 3.97Å; L103-L138 HydrophobicContact CG-CD1 4.32Å; L103-L138 HydrophobicContact CG-CG 4.03Å; L103-L138 CarbonylContact O-C 3.49Å; L103-L138 VanDerWaalsContact O-CA 3.28Å; L103-L138 WeakPolarHBondContact O-CA 3.14Å; L103-L139 PolarHBondContact O-N 3.07Å
104I98.6Very high97.7Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-128.2129.5174.3-52.9162000108.3V25 L26 V27 G28 L102 A106 L139 I193 V197V25-I104 HydrophobicContact CG1-CD1 3.5Å; V25-I104 HydrophobicContact CG1-CG1 4.25Å; L26-I104 PolarHBondContact O-N 3.17Å; V27-I104 CarbonylContact C-O 3.6Å; V27-I104 WeakPolarHBondContact CA-O 3.26Å; G28-I104 PolarHBondContact N-O 3.31Å; L102-I104 HydrophobicContact CD2-CD1 3.96Å; L102-I104 HydrophobicContact CD2-CG1 4.11Å; L102-I104 HydrophobicContact CG-CD1 4.5Å; L102-I104 HydrophobicContact CG-CG1 4.14Å; I104-A106 HydrophobicContact CG2-CB 4.01Å; I104-L139 CarbonylContact C-O 3.59Å; I104-L139 VanDerWaalsContact CA-O 3.26Å; I104-L139 WeakPolarHBondContact CA-O 3.32Å; I104-L139 HydrophobicContact CG1-CB 4.27Å; I104-L139 HydrophobicContact CG2-CB 4.3Å; I104-I193 HydrophobicContact CG2-CG2 4.13Å; I104-V197 HydrophobicContact CD1-CB 4.45Å; I104-V197 HydrophobicContact CD1-CG2 3.11Å; I104-V197 HydrophobicContact CG1-CG2 4.23Å
105I98.8Very high97.9Very high1 Ų123 Ų231%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-106.6105.6172.1-48.6177.4000108.8G28 T30 L103 L108 I116 L125 V129 L138 L139 F140 C141G28-I105 CarbonylContact O-C 3.5Å; G28-I105 VanDerWaalsContact O-CA 3.3Å; G28-I105 WeakPolarHBondContact O-CA 3.33Å; T30-I105 HydrophobicContact CG2-CG2 3.96Å; L103-I105 HydrophobicContact CG-CG1 4.49Å; I105-L108 HydrophobicContact CB-CB 4.43Å; I105-L108 HydrophobicContact CG2-CB 3.91Å; I105-L108 HydrophobicContact CG2-CD1 3.9Å; I105-L108 HydrophobicContact CG2-CG 4.48Å; I105-I116 HydrophobicContact CD1-CD1 3.71Å; I105-L125 HydrophobicContact CG2-CD2 4.29Å; I105-V129 HydrophobicContact CD1-CG2 3.76Å; I105-L138 HydrophobicContact CD1-CD2 4.4Å; I105-L139 PolarHBondContact N-O 3.28Å; I105-F140 HydrophobicContact CB-CB 4.44Å; I105-F140 WeakPolarHBondContact O-CA 3.46Å; I105-C141 PolarHBondContact O-N 2.82Å
106A98.4Very high98Very high1 Ų121.2 Ų21.21%0.00810%0.103CC..EExtended strand (participates in β ladder)trans-147.8104.7-173.400000111.7G28 L41 I104 C141 M187 I193G28-A106 PolarHBondContact O-N 3.49Å; L41-A106 HydrophobicContact CD2-CB 3.87Å; I104-A106 HydrophobicContact CG2-CB 4.01Å; A106-C141 HydrophobicContact CB-CB 3.92Å; A106-M187 HydrophobicContact CB-SD 4.25Å; A106-I193 HydrophobicContact CB-CD1 4.04Å
107P98.5Very high98Very high1 Ų121.8 Ų21.81%0.00611%0.107CC..EExtended strand (participates in β ladder)cis-75.6156.6-2.129.5-35.9000114.3T30 A34 A35 A143 M187T30-P107 PolarHBondContact N-O 3.24Å; T30-P107 PolarHBondContact OG1-O 2.7Å; A34-P107 HydrophobicContact CB-CB 3.97Å; A34-P107 HydrophobicContact CB-CG 4.15Å; A35-P107 HydrophobicContact CB-CG 3.92Å; P107-A143 HydrophobicContact CB-CB 3.5Å; P107-A143 VanDerWaalsContact CB-CB 3.5Å; P107-M187 VanDerWaalsContact CA-SD 3.52Å; P107-M187 HydrophobicContact CB-SD 3.65Å; P107-M187 HydrophobicContact CG-SD 4.37Å
108L98.7Very high98.1Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-102.9109.2160.2178.463.7000110.1T30 I105 T112 L113 I116 F140 C141 P142 A143 L161T30-L108 HydrophobicContact CG2-CD1 4.45Å; T30-L108 WeakPolarHBondContact OG1-CA 3.48Å; I105-L108 HydrophobicContact CB-CB 4.43Å; I105-L108 HydrophobicContact CG2-CB 3.91Å; I105-L108 HydrophobicContact CG2-CD1 3.9Å; I105-L108 HydrophobicContact CG2-CG 4.48Å; L108-T112 HydrophobicContact CD1-CG2 3.71Å; L108-L113 HydrophobicContact CD1-CB 4.39Å; L108-L113 HydrophobicContact CD2-CB 4.07Å; L108-L113 HydrophobicContact CD2-CD1 3.94Å; L108-L113 HydrophobicContact CG-CB 4.11Å; L108-I116 HydrophobicContact CD1-CD1 4.14Å; L108-F140 HydrophobicContact CD2-CB 3.88Å; L108-F140 HydrophobicContact CD2-CD2 3.77Å; L108-F140 HydrophobicContact CD2-CG 4.11Å; L108-C141 PolarHBondContact N-O 3.09Å; L108-P142 CarbonylContact O-C 3.52Å; L108-P142 WeakPolarHBondContact O-CA 3.48Å; L108-A143 PolarHBondContact O-N 2.88Å; L108-L161 HydrophobicContact CD2-CD2 4.02Å
109D98.3Very high98.2Very high15 Ų1518.4 Ų18.48%0.0812%0.119CC..  trans-73.3163.6172.870.124.1000111.5T30 G31 N111 T112 L113T30-D109 WeakPolarHBondContact CB-OD2 3.28Å; T30-D109 PolarHBondContact OG1-N 3.28Å; G31-D109 VanDerWaalsContact CA-OD2 3.31Å; G31-D109 WeakPolarHBondContact CA-OD2 3.32Å; G31-D109 PolarHBondContact N-OD2 2.91Å; D109-N111 VanDerWaalsContact C-N 3.25Å; D109-N111 PolarHBondContact O-N 3.11Å; D109-N111 PolarHBondContact OD1-N 2.76Å; D109-T112 WeakPolarHBondContact OD1-CA 3.5Å; D109-T112 WeakPolarHBondContact OD1-CB 3.29Å; D109-T112 PolarHBondContact OD1-N 3.39Å; D109-T112 PolarHBondContact OD1-OG1 2.99Å; D109-L113 VanDerWaalsContact O-CB 3.3Å; D109-L113 WeakPolarHBondContact O-CB 3.08Å; D109-L113 PolarHBondContact O-N 3.24Å
110A98.2Very high98.4Very high18 Ų1822.1 Ų22.115%0.14914%0.138CC..Hα-helixtrans-66.3-28.1-177.900000113.2G114 M144 M148A110-G114 PolarHBondContact O-N 3.04Å; A110-M144 HydrophobicContact CB-CE 3.8Å; A110-M144 HydrophobicContact CB-SD 3.82Å; A110-M148 HydrophobicContact CB-CE 3.4Å
111N98.6Very high98.4Very high95 Ų9525 Ų2551%0.50816%0.157SC..Hα-helixtrans-70.1-51.2-177.8178.952.9000110.5D109 L113 G114 K115D109-N111 VanDerWaalsContact C-N 3.25Å; D109-N111 PolarHBondContact O-N 3.11Å; D109-N111 PolarHBondContact OD1-N 2.76Å; N111-L113 VanDerWaalsContact C-N 3.31Å; N111-L113 PolarHBondContact O-N 3.38Å; N111-G114 PolarHBondContact O-N 3.25Å; N111-G114 VanDerWaalsContact O-N 3.17Å; N111-K115 WeakPolarHBondContact O-CG 3.27Å; N111-K115 PolarHBondContact O-N 3.34Å
112T98.8Very high98.4Very high2 Ų227 Ų271%0.01217%0.168CC..Hα-helixtrans-65.9-36.1176.5-520000110.7T30 L108 D109 G114 K115 I116 L125 T126T30-T112 HydrophobicContact CG2-CG2 3.74Å; T30-T112 WeakPolarHBondContact CG2-OG1 3.42Å; L108-T112 HydrophobicContact CD1-CG2 3.71Å; D109-T112 WeakPolarHBondContact OD1-CA 3.5Å; D109-T112 WeakPolarHBondContact OD1-CB 3.29Å; D109-T112 PolarHBondContact OD1-N 3.39Å; D109-T112 PolarHBondContact OD1-OG1 2.99Å; T112-G114 VanDerWaalsContact C-N 3.34Å; T112-G114 PolarHBondContact O-N 2.92Å; T112-K115 PolarHBondContact O-N 2.87Å; T112-I116 HydrophobicContact CG2-CD1 3.86Å; T112-I116 HydrophobicContact CG2-CG1 4.29Å; T112-I116 WeakPolarHBondContact O-CB 3.34Å; T112-I116 VanDerWaalsContact O-CG1 3.27Å; T112-I116 WeakPolarHBondContact O-CG1 3.18Å; T112-I116 PolarHBondContact O-N 3.46Å; T112-L125 HydrophobicContact CG2-CD2 4.5Å; T112-T126 HydrophobicContact CG2-CG2 4.06Å
113L98.8Very high98.4Very high0 Ų027.7 Ų27.70%017%0.172CC..Hα-helixtrans-56-49.4170.1172.763.6000111.1L108 D109 N111 K115 I116 A117 M144 T154 Q157 V158 L161L108-L113 HydrophobicContact CD1-CB 4.39Å; L108-L113 HydrophobicContact CD2-CB 4.07Å; L108-L113 HydrophobicContact CD2-CD1 3.94Å; L108-L113 HydrophobicContact CG-CB 4.11Å; D109-L113 VanDerWaalsContact O-CB 3.3Å; D109-L113 WeakPolarHBondContact O-CB 3.08Å; D109-L113 PolarHBondContact O-N 3.24Å; N111-L113 VanDerWaalsContact C-N 3.31Å; N111-L113 PolarHBondContact O-N 3.38Å; L113-K115 PolarHBondContact O-N 3.25Å; L113-I116 PolarHBondContact O-N 3.15Å; L113-A117 VanDerWaalsContact O-CB 3.29Å; L113-A117 WeakPolarHBondContact O-CB 3.24Å; L113-A117 PolarHBondContact O-N 3.29Å; L113-M144 HydrophobicContact CD2-CE 4.06Å; L113-T154 HydrophobicContact CD2-CG2 3.93Å; L113-Q157 HydrophobicContact CD1-CB 3.99Å; L113-Q157 HydrophobicContact CD2-CB 4.06Å; L113-Q157 HydrophobicContact CG-CB 3.76Å; L113-V158 HydrophobicContact CD1-CG2 4.35Å; L113-V158 HydrophobicContact CD2-CG2 4Å; L113-L161 HydrophobicContact CD1-CD1 3.9Å; L113-L161 HydrophobicContact CD1-CD2 3.67Å; L113-L161 HydrophobicContact CD1-CG 4.37Å
114G98.8Very high98.4Very high12 Ų1227.7 Ų27.712%0.12417%0.172CC..Hα-helixtrans-63-40177.300000113.4A110 N111 T112 S118A110-G114 PolarHBondContact O-N 3.04Å; N111-G114 PolarHBondContact O-N 3.25Å; N111-G114 VanDerWaalsContact O-N 3.17Å; T112-G114 VanDerWaalsContact C-N 3.34Å; T112-G114 PolarHBondContact O-N 2.92Å; G114-S118 WeakPolarHBondContact O-CB 3.15Å; G114-S118 PolarHBondContact O-N 3.46Å; G114-S118 VanDerWaalsContact O-N 3.09Å; G114-S118 PolarHBondContact O-OG 3.48Å
115K98.8Very high98.4Very high34 Ų3427.7 Ų27.715%0.14817%0.172CC..Hα-helixtrans-60.9-52175.3-72.2-178.9177.4-163.30111.7N111 T112 L113 A117 S118 G119 I120 D122 T126N111-K115 WeakPolarHBondContact O-CG 3.27Å; N111-K115 PolarHBondContact O-N 3.34Å; T112-K115 PolarHBondContact O-N 2.87Å; L113-K115 PolarHBondContact O-N 3.25Å; K115-A117 PolarHBondContact O-N 3.27Å; K115-S118 CarbonylContact O-C 3.53Å; K115-S118 PolarHBondContact O-N 3.01Å; K115-G119 PolarHBondContact O-N 2.89Å; K115-I120 HydrophobicContact CB-CB 3.93Å; K115-I120 HydrophobicContact CB-CG2 4.29Å; K115-I120 HydrophobicContact CD-CG2 4.3Å; K115-I120 HydrophobicContact CG-CB 4.12Å; K115-I120 HydrophobicContact CG-CD1 4.36Å; K115-I120 HydrophobicContact CG-CG2 4.05Å; K115-I120 PolarHBondContact O-N 3.46Å; K115-D122 WeakPolarHBondContact CE-OD2 3.4Å; K115-D122 IonicContact NZ-OD1 2.82Å; K115-D122 PolarHBondContact NZ-OD1 2.9Å; K115-D122 IonicContact NZ-OD2 3.12Å; K115-D122 PolarHBondContact NZ-OD2 2.95Å; K115-T126 HydrophobicContact CB-CG2 4.25Å; K115-T126 HydrophobicContact CD-CG2 4.36Å
116I98.6Very high98.4Very high12 Ų1227.7 Ų27.76%0.06217%0.172CC..Hα-helixtrans-60.9-46.5179.5-66.1168.8000110.4I105 L108 T112 L113 S118 G119 T126 V129 L161 Y166I105-I116 HydrophobicContact CD1-CD1 3.71Å; L108-I116 HydrophobicContact CD1-CD1 4.14Å; T112-I116 HydrophobicContact CG2-CD1 3.86Å; T112-I116 HydrophobicContact CG2-CG1 4.29Å; T112-I116 WeakPolarHBondContact O-CB 3.34Å; T112-I116 VanDerWaalsContact O-CG1 3.27Å; T112-I116 WeakPolarHBondContact O-CG1 3.18Å; T112-I116 PolarHBondContact O-N 3.46Å; L113-I116 PolarHBondContact O-N 3.15Å; I116-S118 PolarHBondContact O-N 3.2Å; I116-G119 PolarHBondContact O-N 2.88Å; I116-G119 VanDerWaalsContact O-N 3.15Å; I116-T126 HydrophobicContact CG1-CG2 4.44Å; I116-V129 HydrophobicContact CD1-CG1 4.13Å; I116-V129 HydrophobicContact CD1-CG2 4.23Å; I116-V129 HydrophobicContact CG1-CG1 4.01Å; I116-V129 HydrophobicContact CG2-CG1 3.78Å; I116-L161 HydrophobicContact CB-CD1 4.31Å; I116-L161 HydrophobicContact CG2-CD1 3.84Å; I116-L161 HydrophobicContact CG2-CD2 4.06Å; I116-L161 HydrophobicContact CG2-CG 3.87Å; I116-Y166 HydrophobicContact CG2-CE2 4.12Å
117A98.6Very high98.4Very high11 Ų1128.6 Ų28.69%0.09118%0.178CC..Hα-helixtrans-61.8-27.2-179.900000113.3L113 K115 Q157 R160 L161L113-A117 VanDerWaalsContact O-CB 3.29Å; L113-A117 WeakPolarHBondContact O-CB 3.24Å; L113-A117 PolarHBondContact O-N 3.29Å; K115-A117 PolarHBondContact O-N 3.27Å; A117-Q157 HydrophobicContact CB-CB 3.83Å; A117-Q157 HydrophobicContact CB-CG 3.78Å; A117-R160 HydrophobicContact CB-CB 4.42Å; A117-R160 HydrophobicContact CB-CG 4.34Å; A117-L161 HydrophobicContact CB-CD1 3.72Å
118S98.3Very high98.4Very high89 Ų8928.6 Ų28.662%0.62218%0.178SC*.Hα-helixtrans-100.1-1.2-179.4-48.70000113.5G114 K115 I116G114-S118 WeakPolarHBondContact O-CB 3.15Å; G114-S118 PolarHBondContact O-N 3.46Å; G114-S118 VanDerWaalsContact O-N 3.09Å; G114-S118 PolarHBondContact O-OG 3.48Å; K115-S118 CarbonylContact O-C 3.53Å; K115-S118 PolarHBondContact O-N 3.01Å; I116-S118 PolarHBondContact O-N 3.2Å
119G97.8Very high98.4Very high36 Ų3628.8 Ų28.837%0.37118%0.18SC..THydrogen-bonded Turntrans7519.1-179.100000115.2K115 I116K115-G119 PolarHBondContact O-N 2.89Å; I116-G119 PolarHBondContact O-N 2.88Å; I116-G119 VanDerWaalsContact O-N 3.15Å
120I98.6Very high98.4Very high80 Ų8035.7 Ų35.741%0.4120%0.204SC..  trans-74.9129.8174.4-61.6172.7000109.1K115 D122 T126K115-I120 HydrophobicContact CB-CB 3.93Å; K115-I120 HydrophobicContact CB-CG2 4.29Å; K115-I120 HydrophobicContact CD-CG2 4.3Å; K115-I120 HydrophobicContact CG-CB 4.12Å; K115-I120 HydrophobicContact CG-CD1 4.36Å; K115-I120 HydrophobicContact CG-CG2 4.05Å; K115-I120 PolarHBondContact O-N 3.46Å; I120-D122 HydrophobicContact CG2-CB 4.13Å; I120-T126 WeakPolarHBondContact O-CB 3.33Å
121C97.5Very high98.4Very high60 Ų6036.4 Ų36.441%0.40521%0.21SC..  trans-131.877.8178.356.10000110.5T126 C127 R130C121-T126 WeakPolarHBondContact CA-OG1 3.35Å; C121-C127 PolarHBondContact O-SG 3.16Å; C121-R130 HydrophobicContact CB-CB 3.79Å; C121-R130 HydrophobicContact CB-CG 4.08Å
122D97.2Very high98.4Very high98 Ų9832.7 Ų32.752%0.52419%0.189SC..  trans-113.66.2-171.868.8-15.3000113.7K115 I120 T126K115-D122 WeakPolarHBondContact CE-OD2 3.4Å; K115-D122 IonicContact NZ-OD1 2.82Å; K115-D122 PolarHBondContact NZ-OD1 2.9Å; K115-D122 IonicContact NZ-OD2 3.12Å; K115-D122 PolarHBondContact NZ-OD2 2.95Å; I120-D122 HydrophobicContact CG2-CB 4.13Å; D122-T126 PolarHBondContact N-OG1 2.76Å; D122-T126 VanDerWaalsContact N-OG1 3.1Å
123N97.9Very high98.2Very high16 Ų1634.9 Ų34.99%0.08620%0.201CC..SBendtrans-149.6167.9175.967.925.6000110.6D77 L125 T126 C127D77-N123 WeakPolarHBondContact OD1-CB 3.46Å; D77-N123 WeakPolarHBondContact OD2-CB 3.38Å; N123-L125 VanDerWaalsContact C-N 3.3Å; N123-L125 PolarHBondContact O-N 2.86Å; N123-L125 PolarHBondContact OD1-N 3.04Å; N123-T126 PolarHBondContact N-OG1 3.09Å; N123-T126 VanDerWaalsContact N-OG1 3.16Å; N123-T126 PolarHBondContact O-N 3.13Å; N123-T126 VanDerWaalsContact O-N 3.16Å; N123-T126 PolarHBondContact O-OG1 2.91Å; N123-T126 VanDerWaalsContact O-OG1 3.08Å; N123-T126 WeakPolarHBondContact OD1-CB 3.37Å; N123-T126 WeakPolarHBondContact OD1-CG2 3.43Å; N123-T126 PolarHBondContact OD1-N 2.91Å; N123-T126 PolarHBondContact OD1-OG1 2.83Å; N123-C127 WeakPolarHBondContact O-CB 3.37Å; N123-C127 PolarHBondContact O-N 3.45Å; N123-C127 PolarHBondContact O-SG 3.46Å
124L98.3Very high98Very high0 Ų039.6 Ų39.60%023%0.23CC..Hα-helixtrans-54.1-46.5-172.7176.658.6000111.8I56 T76 D77 E80 L92 H93 L96 C127 V128I56-L124 HydrophobicContact CD1-CG 4.47Å; I56-L124 HydrophobicContact CG1-CD2 4.46Å; I56-L124 HydrophobicContact CG2-CB 4.27Å; I56-L124 HydrophobicContact CG2-CD2 3.95Å; I56-L124 HydrophobicContact CG2-CG 3.91Å; T76-L124 VanDerWaalsContact O-CD2 3.31Å; T76-L124 WeakPolarHBondContact O-CD2 3.49Å; D77-L124 VanDerWaalsContact OD1-CB 3.3Å; D77-L124 WeakPolarHBondContact OD1-CB 3.19Å; D77-L124 PolarHBondContact OD1-N 2.65Å; E80-L124 HydrophobicContact CB-CD1 4.39Å; L92-L124 HydrophobicContact CB-CD1 4.49Å; L92-L124 HydrophobicContact CD2-CD1 4Å; L92-L124 HydrophobicContact CD2-CD2 3.81Å; L92-L124 HydrophobicContact CG-CD1 4.08Å; H93-L124 HydrophobicContact CB-CD1 3.82Å; L96-L124 HydrophobicContact CD1-CD1 4.13Å; L96-L124 HydrophobicContact CD1-CD2 4.18Å; L96-L124 HydrophobicContact CD1-CG 4.42Å; L124-C127 PolarHBondContact O-N 3.42Å; L124-V128 HydrophobicContact CD1-CG2 4.45Å; L124-V128 WeakPolarHBondContact O-CG2 3.31Å; L124-V128 PolarHBondContact O-N 2.72Å
125L98.6Very high97.8Very high0 Ų043.8 Ų43.80%026%0.257CS..Hα-helixtrans-62.8-49.3-179.5179.257.7000112T30 I56 T58 I105 T112 N123 C127 V128 V129T30-L125 HydrophobicContact CG2-CD2 3.6Å; I56-L125 HydrophobicContact CB-CD1 4.42Å; I56-L125 HydrophobicContact CG2-CB 3.79Å; I56-L125 HydrophobicContact CG2-CD1 4.41Å; T58-L125 HydrophobicContact CG2-CB 4.36Å; T58-L125 HydrophobicContact CG2-CD2 4.05Å; I105-L125 HydrophobicContact CG2-CD2 4.29Å; T112-L125 HydrophobicContact CG2-CD2 4.5Å; N123-L125 VanDerWaalsContact C-N 3.3Å; N123-L125 PolarHBondContact O-N 2.86Å; N123-L125 PolarHBondContact OD1-N 3.04Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 2.8Å; L125-V128 PolarHBondContact O-N 2.79Å; L125-V129 HydrophobicContact CD1-CG2 4.41Å; L125-V129 WeakPolarHBondContact O-CG2 3.3Å; L125-V129 PolarHBondContact O-N 3.32Å
126T98.6Very high97.7Very high2 Ų244 Ų441%0.01226%0.257CS..Hα-helixtrans-69.9-30.8-178.154.80000112.2T112 K115 I116 I120 C121 D122 N123 V129 R130T112-T126 HydrophobicContact CG2-CG2 4.06Å; K115-T126 HydrophobicContact CB-CG2 4.25Å; K115-T126 HydrophobicContact CD-CG2 4.36Å; I116-T126 HydrophobicContact CG1-CG2 4.44Å; I120-T126 WeakPolarHBondContact O-CB 3.33Å; C121-T126 WeakPolarHBondContact CA-OG1 3.35Å; D122-T126 PolarHBondContact N-OG1 2.76Å; D122-T126 VanDerWaalsContact N-OG1 3.1Å; N123-T126 PolarHBondContact N-OG1 3.09Å; N123-T126 VanDerWaalsContact N-OG1 3.16Å; N123-T126 PolarHBondContact O-N 3.13Å; N123-T126 VanDerWaalsContact O-N 3.16Å; N123-T126 PolarHBondContact O-OG1 2.91Å; N123-T126 VanDerWaalsContact O-OG1 3.08Å; N123-T126 WeakPolarHBondContact OD1-CB 3.37Å; N123-T126 WeakPolarHBondContact OD1-CG2 3.43Å; N123-T126 PolarHBondContact OD1-N 2.91Å; N123-T126 PolarHBondContact OD1-OG1 2.83Å; T126-V129 PolarHBondContact O-N 2.87Å; T126-R130 VanDerWaalsContact O-CB 3.28Å; T126-R130 WeakPolarHBondContact O-CB 3.25Å; T126-R130 PolarHBondContact O-N 2.89Å
127C98.5Very high97.6Very high20 Ų2045.1 Ų45.114%0.13527%0.265CS..Hα-helixtrans-62.1-46.7169-70.90000112.1H93 C121 N123 L124 L125 V129 R130 A131H93-C127 HydrophobicContact CB-CB 3.82Å; C121-C127 PolarHBondContact O-SG 3.16Å; N123-C127 WeakPolarHBondContact O-CB 3.37Å; N123-C127 PolarHBondContact O-N 3.45Å; N123-C127 PolarHBondContact O-SG 3.46Å; L124-C127 PolarHBondContact O-N 3.42Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 2.8Å; C127-V129 PolarHBondContact O-N 3.23Å; C127-R130 PolarHBondContact O-N 2.84Å; C127-A131 WeakPolarHBondContact O-CB 3.42Å; C127-A131 PolarHBondContact O-N 2.97Å; C127-A131 VanDerWaalsContact O-N 3.1Å
128V98.7Very high97.6Very high0 Ų044.7 Ų44.70%026%0.261CS..Hα-helixtrans-59.3-46174.8171.20000111.1L26 I56 H93 L96 R97 L103 L124 L125 R130 A131 W132L26-V128 HydrophobicContact CD2-CG1 3.92Å; I56-V128 HydrophobicContact CD1-CB 4.32Å; I56-V128 HydrophobicContact CD1-CG1 4.5Å; I56-V128 HydrophobicContact CD1-CG2 3.76Å; H93-V128 HydrophobicContact CB-CG2 3.7Å; H93-V128 WeakPolarHBondContact O-CG2 3.49Å; L96-V128 HydrophobicContact CB-CG2 4.16Å; R97-V128 HydrophobicContact CB-CG1 4.49Å; L103-V128 HydrophobicContact CD2-CG1 4.23Å; L124-V128 HydrophobicContact CD1-CG2 4.45Å; L124-V128 WeakPolarHBondContact O-CG2 3.31Å; L124-V128 PolarHBondContact O-N 2.72Å; L125-V128 PolarHBondContact O-N 2.79Å; V128-R130 PolarHBondContact O-N 2.81Å; V128-A131 CarbonylContact O-C 3.57Å; V128-A131 PolarHBondContact O-N 2.79Å; V128-W132 HydrophobicContact CG1-CE3 4.22Å; V128-W132 HydrophobicContact CG1-CZ3 4.48Å; V128-W132 PolarHBondContact O-N 3.41Å
129V98.6Very high97.7Very high5 Ų540.5 Ų40.53%0.0323%0.231CC..Hα-helixtrans-63.1-41.8178.7175.10000111.2L103 I105 I116 L125 T126 C127 A131 W132 L138 Y166L103-V129 HydrophobicContact CD2-CG2 3.9Å; I105-V129 HydrophobicContact CD1-CG2 3.76Å; I116-V129 HydrophobicContact CD1-CG1 4.13Å; I116-V129 HydrophobicContact CD1-CG2 4.23Å; I116-V129 HydrophobicContact CG1-CG1 4.01Å; I116-V129 HydrophobicContact CG2-CG1 3.78Å; L125-V129 HydrophobicContact CD1-CG2 4.41Å; L125-V129 WeakPolarHBondContact O-CG2 3.3Å; L125-V129 PolarHBondContact O-N 3.32Å; T126-V129 PolarHBondContact O-N 2.87Å; C127-V129 PolarHBondContact O-N 3.23Å; V129-A131 VanDerWaalsContact C-N 3.28Å; V129-A131 PolarHBondContact O-N 2.99Å; V129-W132 WeakPolarHBondContact O-CB 3.45Å; V129-W132 PolarHBondContact O-N 3.2Å; V129-W132 VanDerWaalsContact O-N 3.13Å; V129-L138 HydrophobicContact CG1-CD1 4.1Å; V129-L138 HydrophobicContact CG2-CD1 4.39Å; V129-Y166 HydrophobicContact CG1-CE2 4.24Å
130R98.4Very high97.7Very high159 Ų15938.8 Ų38.860%0.621%0.214SC*.Hα-helixtrans-66.2-31.2-179-174.864.5-174.393.5-4.9113C121 T126 C127 V128C121-R130 HydrophobicContact CB-CB 3.79Å; C121-R130 HydrophobicContact CB-CG 4.08Å; T126-R130 VanDerWaalsContact O-CB 3.28Å; T126-R130 WeakPolarHBondContact O-CB 3.25Å; T126-R130 PolarHBondContact O-N 2.89Å; C127-R130 PolarHBondContact O-N 2.84Å; V128-R130 PolarHBondContact O-N 2.81Å
131A98.2Very high97.7Very high33 Ų3335 Ų3527%0.27319%0.194SC..THydrogen-bonded Turntrans-923.4176.300000113.6I94 R97 C127 V128 V129I94-A131 HydrophobicContact CD1-CB 3.98Å; R97-A131 WeakPolarHBondContact CG-O 3.4Å; R97-A131 PolarHBondContact NE-O 3.23Å; C127-A131 WeakPolarHBondContact O-CB 3.42Å; C127-A131 PolarHBondContact O-N 2.97Å; C127-A131 VanDerWaalsContact O-N 3.1Å; V128-A131 CarbonylContact O-C 3.57Å; V128-A131 PolarHBondContact O-N 2.79Å; V129-A131 VanDerWaalsContact C-N 3.28Å; V129-A131 PolarHBondContact O-N 2.99Å
132W98.3Very high97.7Very high17 Ų1732.1 Ų32.16%0.06418%0.175CC..  trans-62.5147.3-172.6-167.4-108.5000112.3R97 A100 L103 V128 V129 T134 R136 L138R97-W132 HydrophobicContact CG-CE3 4.2Å; A100-W132 HydrophobicContact CB-CH2 3.73Å; A100-W132 HydrophobicContact CB-CZ3 3.91Å; L103-W132 HydrophobicContact CB-CD2 4.3Å; L103-W132 HydrophobicContact CB-CE3 4.22Å; L103-W132 HydrophobicContact CB-CH2 3.58Å; L103-W132 HydrophobicContact CB-CZ2 3.65Å; L103-W132 HydrophobicContact CB-CZ3 3.87Å; L103-W132 HydrophobicContact CD2-CD2 4.16Å; L103-W132 HydrophobicContact CD2-CE3 3.96Å; L103-W132 HydrophobicContact CD2-CZ3 4.28Å; V128-W132 HydrophobicContact CG1-CE3 4.22Å; V128-W132 HydrophobicContact CG1-CZ3 4.48Å; V128-W132 PolarHBondContact O-N 3.41Å; V129-W132 WeakPolarHBondContact O-CB 3.45Å; V129-W132 PolarHBondContact O-N 3.2Å; V129-W132 VanDerWaalsContact O-N 3.13Å; W132-T134 PolarHBondContact O-N 3.2Å; W132-R136 HydrophobicContact CZ2-CB 3.9Å; W132-R136 PolarHBondContact NE1-O 3.35Å; W132-L138 HydrophobicContact CG-CD1 4.1Å
133D95.8Very high97.7Very high49 Ų4927.6 Ų27.626%0.26215%0.151SC..  trans-83.1110.6172.4-154.5-43.9000109R97 S135 R136R97-D133 IonicContact CZ-OD2 3.69Å; R97-D133 IonicContact NH1-OD2 3.46Å; R97-D133 PolarHBondContact NH1-OD2 3.03Å; R97-D133 VanDerWaalsContact NH2-CG 3.27Å; R97-D133 IonicContact NH2-OD2 3.54Å; R97-D133 PolarHBondContact NH2-OD2 3.4Å; D133-S135 VanDerWaalsContact CG-OG 3.24Å; D133-S135 PolarHBondContact O-N 2.98Å; D133-S135 VanDerWaalsContact O-N 3.15Å; D133-S135 WeakPolarHBondContact OD1-CB 3.36Å; D133-S135 PolarHBondContact OD1-N 3.28Å; D133-S135 VanDerWaalsContact OD1-N 3.16Å; D133-S135 PolarHBondContact OD1-OG 3.31Å; D133-R136 HydrophobicContact CB-CB 4.41Å; D133-R136 HydrophobicContact CB-CG 4.3Å; D133-R136 PolarHBondContact O-N 3.16Å
134T94.2Very high97.5Very high99 Ų9927.8 Ų27.861%0.60715%0.152SC*.THydrogen-bonded Turntrans-69.4-9.8-178.954.90000113.3W132 Y166W132-T134 PolarHBondContact O-N 3.2Å; T134-Y166 HydrophobicContact CG2-CE1 4.38Å
135S94.5Very high97.3Very high99 Ų9932.8 Ų32.869%0.69218%0.179SC*.THydrogen-bonded Turntrans-73.4-17.1167.7700000113.3D133D133-S135 VanDerWaalsContact CG-OG 3.24Å; D133-S135 PolarHBondContact O-N 2.98Å; D133-S135 VanDerWaalsContact O-N 3.15Å; D133-S135 WeakPolarHBondContact OD1-CB 3.36Å; D133-S135 PolarHBondContact OD1-N 3.28Å; D133-S135 VanDerWaalsContact OD1-N 3.16Å; D133-S135 PolarHBondContact OD1-OG 3.31Å
136R96.3Very high97Very high40 Ų4034.3 Ų34.315%0.15119%0.188CC..SBendtrans-102.3142.4176.8-67.8-177.7-58.2-178.910.2111.1R97 A100 W132 D133 L138R97-R136 PolarHBondContact O-NH1 3.5Å; R97-R136 PolarHBondContact O-NH2 3.49Å; A100-R136 VanDerWaalsContact O-CZ 3.26Å; A100-R136 PolarHBondContact O-NH1 3.28Å; W132-R136 HydrophobicContact CZ2-CB 3.9Å; W132-R136 PolarHBondContact NE1-O 3.35Å; D133-R136 HydrophobicContact CB-CB 4.41Å; D133-R136 HydrophobicContact CB-CG 4.3Å; D133-R136 PolarHBondContact O-N 3.16Å; R136-L138 PolarHBondContact O-N 2.94Å
137P97.6Very high96.6Very high34 Ų3437.8 Ų37.822%0.22122%0.217CC..  trans-62.3132-177.425.9-36.6000112.8L102 L103 L139 Y200L102-P137 HydrophobicContact CB-CG 4.46Å; L102-P137 HydrophobicContact CD1-CB 3.48Å; L102-P137 VanDerWaalsContact CD1-CB 3.48Å; L102-P137 HydrophobicContact CD1-CG 3.27Å; L102-P137 HydrophobicContact CG-CG 4.46Å; L103-P137 PolarHBondContact N-O 3.38Å; L103-P137 VanDerWaalsContact N-O 3.13Å; P137-L139 HydrophobicContact CB-CD1 4.04Å; P137-Y200 HydrophobicContact CB-CD1 3.67Å; P137-Y200 HydrophobicContact CB-CE1 3.51Å; P137-Y200 HydrophobicContact CB-CG 4.25Å; P137-Y200 HydrophobicContact CG-CD1 3.64Å; P137-Y200 HydrophobicContact CG-CE1 4.02Å; P137-Y200 HydrophobicContact CG-CG 4.12Å
138L98.7Very high96.4Very high2 Ų241.2 Ų41.21%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-122.1115.8167.1-169.7164000108.2L103 I105 V129 W132 R136 Y166 V167L103-L138 HydrophobicContact CB-CG 4.19Å; L103-L138 HydrophobicContact CD2-CD1 3.7Å; L103-L138 HydrophobicContact CD2-CG 3.97Å; L103-L138 HydrophobicContact CG-CD1 4.32Å; L103-L138 HydrophobicContact CG-CG 4.03Å; L103-L138 CarbonylContact O-C 3.49Å; L103-L138 VanDerWaalsContact O-CA 3.28Å; L103-L138 WeakPolarHBondContact O-CA 3.14Å; I105-L138 HydrophobicContact CD1-CD2 4.4Å; V129-L138 HydrophobicContact CG1-CD1 4.1Å; V129-L138 HydrophobicContact CG2-CD1 4.39Å; W132-L138 HydrophobicContact CG-CD1 4.1Å; R136-L138 PolarHBondContact O-N 2.94Å; L138-Y166 HydrophobicContact CB-CD1 3.7Å; L138-Y166 HydrophobicContact CB-CE1 4.15Å; L138-Y166 HydrophobicContact CB-CG 4.12Å; L138-Y166 HydrophobicContact CD1-CD1 4.02Å; L138-Y166 HydrophobicContact CD1-CD2 4.21Å; L138-Y166 HydrophobicContact CD1-CE1 3.81Å; L138-Y166 HydrophobicContact CD1-CE2 4Å; L138-Y166 HydrophobicContact CD1-CG 4.23Å; L138-Y166 HydrophobicContact CD2-CD1 4.33Å; L138-Y166 HydrophobicContact CD2-CD2 4.02Å; L138-Y166 HydrophobicContact CD2-CG 3.89Å; L138-Y166 HydrophobicContact CG-CD1 4.23Å; L138-Y166 HydrophobicContact CG-CE1 4.49Å; L138-Y166 HydrophobicContact CG-CG 4.3Å; L138-Y166 CarbonylContact O-C 3.52Å; L138-Y166 WeakPolarHBondContact O-CA 3.4Å; L138-V167 PolarHBondContact O-N 3.13Å
139L98.8Very high96.3Very high1 Ų143.3 Ų43.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-103.2144.3177.6-65.169.6000109.1L102 L103 I104 I105 P137 V167 I169 A196 Y200L102-L139 HydrophobicContact CD1-CD1 3.32Å; L102-L139 HydrophobicContact CG-CD1 4.32Å; L103-L139 PolarHBondContact O-N 3.07Å; I104-L139 CarbonylContact C-O 3.59Å; I104-L139 VanDerWaalsContact CA-O 3.26Å; I104-L139 WeakPolarHBondContact CA-O 3.32Å; I104-L139 HydrophobicContact CG1-CB 4.27Å; I104-L139 HydrophobicContact CG2-CB 4.3Å; I105-L139 PolarHBondContact N-O 3.28Å; P137-L139 HydrophobicContact CB-CD1 4.04Å; L139-V167 CarbonylContact C-O 3.5Å; L139-V167 VanDerWaalsContact CA-O 3.25Å; L139-V167 WeakPolarHBondContact CA-O 3.35Å; L139-V167 HydrophobicContact CG-CB 4.23Å; L139-I169 HydrophobicContact CB-CD1 4.41Å; L139-I169 HydrophobicContact CB-CG1 4.48Å; L139-I169 HydrophobicContact CD2-CD1 3.93Å; L139-I169 HydrophobicContact CD2-CG1 4.4Å; L139-A196 HydrophobicContact CD2-CB 3.82Å; L139-Y200 HydrophobicContact CD1-CD2 4.37Å; L139-Y200 HydrophobicContact CD1-CE2 3.94Å; L139-Y200 HydrophobicContact CD2-CE2 3.99Å; L139-Y200 HydrophobicContact CG-CE2 4.34Å
140F98.8Very high96Very high0 Ų049.3 Ų49.30%027%0.269CS..EExtended strand (participates in β ladder)trans-136.5140.6175.466.3-87.7000111.6I105 L108 P142 V158 L161 K162 V167 E168 I169I105-F140 HydrophobicContact CB-CB 4.44Å; I105-F140 WeakPolarHBondContact O-CA 3.46Å; L108-F140 HydrophobicContact CD2-CB 3.88Å; L108-F140 HydrophobicContact CD2-CD2 3.77Å; L108-F140 HydrophobicContact CD2-CG 4.11Å; F140-P142 HydrophobicContact CD2-CG 3.83Å; F140-P142 HydrophobicContact CE2-CG 3.93Å; F140-V158 HydrophobicContact CE2-CG1 4.29Å; F140-V158 HydrophobicContact CZ-CG1 4.31Å; F140-L161 HydrophobicContact CD1-CD2 4.21Å; F140-L161 HydrophobicContact CD2-CD2 4.3Å; F140-L161 HydrophobicContact CE1-CB 3.9Å; F140-L161 HydrophobicContact CE1-CD2 4.27Å; F140-L161 HydrophobicContact CE2-CD2 4.37Å; F140-L161 HydrophobicContact CG-CD2 4.22Å; F140-L161 HydrophobicContact CZ-CB 3.96Å; F140-L161 HydrophobicContact CZ-CD2 4.33Å; F140-K162 HydrophobicContact CE1-CG 4.41Å; F140-K162 HydrophobicContact CZ-CG 4.12Å; F140-V167 WeakPolarHBondContact CD1-O 3.49Å; F140-V167 PolarHBondContact N-O 2.68Å; F140-E168 HydrophobicContact CE1-CB 4Å; F140-E168 HydrophobicContact CE2-CB 3.87Å; F140-E168 HydrophobicContact CE2-CG 3.81Å; F140-E168 HydrophobicContact CZ-CB 3.49Å; F140-E168 VanDerWaalsContact CZ-CB 3.49Å; F140-E168 HydrophobicContact CZ-CG 3.95Å; F140-I169 PolarHBondContact O-N 3.39Å
141C98.4Very high96Very high0 Ų046.5 Ų46.50%026%0.263CS..EExtended strand (participates in β ladder)trans-120.391.8-176.6-52.80000109.1I105 A106 L108 M187 I193I105-C141 PolarHBondContact O-N 2.82Å; A106-C141 HydrophobicContact CB-CB 3.92Å; L108-C141 PolarHBondContact N-O 3.09Å; C141-M187 HydrophobicContact CB-CG 3.92Å; C141-M187 HydrophobicContact CB-SD 4.39Å; C141-I193 HydrophobicContact CB-CD1 4.34Å
142P98Very high95.9Very high0 Ų049 Ų490%028%0.276CS..EExtended strand (participates in β ladder)trans-61.2141.8-179.6-16.628.9000111.4L108 F140 M144 W149 I169 C171L108-P142 CarbonylContact O-C 3.52Å; L108-P142 WeakPolarHBondContact O-CA 3.48Å; F140-P142 HydrophobicContact CD2-CG 3.83Å; F140-P142 HydrophobicContact CE2-CG 3.93Å; P142-M144 HydrophobicContact CB-CE 4.22Å; P142-W149 HydrophobicContact CB-CE3 4.3Å; P142-W149 HydrophobicContact CB-CH2 4.3Å; P142-W149 HydrophobicContact CB-CZ3 3.55Å; P142-W149 HydrophobicContact CG-CH2 4.21Å; P142-W149 HydrophobicContact CG-CZ3 3.89Å; P142-I169 WeakPolarHBondContact CD-O 3.4Å; P142-C171 PolarHBondContact O-SG 3.11Å
143A96.3Very high95.9Very high3 Ų351.9 Ų51.93%0.02529%0.292CS..  trans-149.2101.3179.600000111.3S32 A34 P107 L108 G185 M187S32-A143 WeakPolarHBondContact CB-O 3.34Å; S32-A143 WeakPolarHBondContact OG-CB 3.5Å; S32-A143 PolarHBondContact OG-O 2.97Å; A34-A143 HydrophobicContact CB-CB 3.83Å; P107-A143 HydrophobicContact CB-CB 3.5Å; P107-A143 VanDerWaalsContact CB-CB 3.5Å; L108-A143 PolarHBondContact O-N 2.88Å; A143-G185 WeakPolarHBondContact CA-O 3.5Å; A143-M187 HydrophobicContact CB-CB 3.66Å; A143-M187 HydrophobicContact CB-CG 4.19Å
144M94.9Very high96Very high20 Ų2049.8 Ų49.810%0.09928%0.281CS..  trans-152.8166.4-175.762.5-169.776.300111.9A110 L113 P142 M148 W149 T154 G185A110-M144 HydrophobicContact CB-CE 3.8Å; A110-M144 HydrophobicContact CB-SD 3.82Å; L113-M144 HydrophobicContact CD2-CE 4.06Å; P142-M144 HydrophobicContact CB-CE 4.22Å; M144-M148 HydrophobicContact CB-CB 4.13Å; M144-M148 HydrophobicContact CB-SD 4.18Å; M144-M148 HydrophobicContact CG-CB 4.01Å; M144-M148 HydrophobicContact SD-CB 3.87Å; M144-W149 HydrophobicContact CE-CE3 4.31Å; M144-W149 HydrophobicContact CG-CB 4.1Å; M144-W149 HydrophobicContact CG-CE3 4.34Å; M144-W149 HydrophobicContact SD-CB 4.45Å; M144-W149 HydrophobicContact SD-CE3 4.13Å; M144-T154 HydrophobicContact CE-CG2 4.12Å; M144-T154 HydrophobicContact SD-CG2 3.8Å; M144-G185 PolarHBondContact N-O 3.18Å; M144-G185 CarbonylContact O-C 3.3Å; M144-G185 VanDerWaalsContact O-C 3.3Å
145N93.8Very high96.1Very high105 Ų10547.9 Ų47.956%0.56128%0.276SS*.  trans-59.2148.7172.6179.4-82.2000110.8A147 M148 W149N145-A147 VanDerWaalsContact C-N 3.31Å; N145-A147 PolarHBondContact O-N 3.49Å; N145-A147 WeakPolarHBondContact OD1-CB 3.5Å; N145-A147 PolarHBondContact OD1-N 2.92Å; N145-M148 HydrophobicContact CB-CG 4.27Å; N145-M148 HydrophobicContact CB-SD 4.2Å; N145-M148 WeakPolarHBondContact O-CA 3.39Å; N145-M148 WeakPolarHBondContact O-CB 3.49Å; N145-M148 PolarHBondContact O-N 3.48Å; N145-W149 PolarHBondContact O-N 2.7Å
146T90.9Very high96.3Very high33 Ų3349.4 Ų49.420%0.20227%0.272CS..Hα-helixtrans-59.7-35.4-178-57.70000114.4M148 W149 M150 S183 K184T146-M148 VanDerWaalsContact C-N 3.26Å; T146-M148 PolarHBondContact O-N 2.89Å; T146-W149 PolarHBondContact O-N 3.42Å; T146-M150 HydrophobicContact CG2-CG 4.04Å; T146-M150 WeakPolarHBondContact O-CB 3.36Å; T146-M150 VanDerWaalsContact O-CG 3.25Å; T146-M150 WeakPolarHBondContact O-CG 3.47Å; T146-M150 PolarHBondContact O-N 3.17Å; T146-S183 WeakPolarHBondContact OG1-CA 3.41Å; T146-S183 WeakPolarHBondContact OG1-CB 3.24Å; T146-S183 PolarHBondContact OG1-O 3.45Å; T146-S183 PolarHBondContact OG1-OG 3.29Å; T146-K184 WeakPolarHBondContact CA-O 3.13Å; T146-K184 VanDerWaalsContact CB-O 3.24Å; T146-K184 WeakPolarHBondContact CB-O 3.2Å; T146-K184 WeakPolarHBondContact CG2-O 3.2Å; T146-K184 PolarHBondContact OG1-O 3.17Å
147A91.4Very high96.4Very high74 Ų7448.8 Ų48.861%0.61227%0.27SS*.Hα-helixtrans-62.4-36.8174.200000111.7N145 H151N145-A147 VanDerWaalsContact C-N 3.31Å; N145-A147 PolarHBondContact O-N 3.49Å; N145-A147 WeakPolarHBondContact OD1-CB 3.5Å; N145-A147 PolarHBondContact OD1-N 2.92Å; A147-H151 PolarHBondContact O-N 2.99Å; A147-H151 VanDerWaalsContact O-N 3.17Å
148M94.9Very high96.4Very high92 Ų9247.6 Ų47.645%0.45326%0.262SS..Hα-helixtrans-71.2-40.1174.4-56.7174.375.800111.4A110 M144 N145 T146 H151 T154A110-M148 HydrophobicContact CB-CE 3.4Å; M144-M148 HydrophobicContact CB-CB 4.13Å; M144-M148 HydrophobicContact CB-SD 4.18Å; M144-M148 HydrophobicContact CG-CB 4.01Å; M144-M148 HydrophobicContact SD-CB 3.87Å; N145-M148 HydrophobicContact CB-CG 4.27Å; N145-M148 HydrophobicContact CB-SD 4.2Å; N145-M148 WeakPolarHBondContact O-CA 3.39Å; N145-M148 WeakPolarHBondContact O-CB 3.49Å; N145-M148 PolarHBondContact O-N 3.48Å; T146-M148 VanDerWaalsContact C-N 3.26Å; T146-M148 PolarHBondContact O-N 2.89Å; M148-H151 VanDerWaalsContact O-CB 3.27Å; M148-H151 WeakPolarHBondContact O-CB 3.25Å; M148-H151 PolarHBondContact O-N 2.85Å; M148-T154 WeakPolarHBondContact O-CB 3.48Å; M148-T154 PolarHBondContact O-OG1 3.08Å
149W95.1Very high96.4Very high44 Ų4450.3 Ų50.317%0.16728%0.282CS..Hα-helixtrans-63.8-42177.7-177.6-104.3000112.2P142 M144 N145 T146 H151 T154 V158P142-W149 HydrophobicContact CB-CE3 4.3Å; P142-W149 HydrophobicContact CB-CH2 4.3Å; P142-W149 HydrophobicContact CB-CZ3 3.55Å; P142-W149 HydrophobicContact CG-CH2 4.21Å; P142-W149 HydrophobicContact CG-CZ3 3.89Å; M144-W149 HydrophobicContact CE-CE3 4.31Å; M144-W149 HydrophobicContact CG-CB 4.1Å; M144-W149 HydrophobicContact CG-CE3 4.34Å; M144-W149 HydrophobicContact SD-CB 4.45Å; M144-W149 HydrophobicContact SD-CE3 4.13Å; N145-W149 PolarHBondContact O-N 2.7Å; T146-W149 PolarHBondContact O-N 3.42Å; W149-H151 PolarHBondContact O-N 3.23Å; W149-T154 HydrophobicContact CE3-CG2 3.77Å; W149-T154 HydrophobicContact CZ3-CG2 4.03Å; W149-V158 HydrophobicContact CH2-CG2 4.17Å; W149-V158 HydrophobicContact CZ3-CG2 4.08Å
150M93.9Very high96.4Very high132 Ų13256.2 Ų56.265%0.6530%0.304SS*.THydrogen-bonded Turntrans-77.1-9.2178.1-65.3-58.3-63.100113.2T146T146-M150 HydrophobicContact CG2-CG 4.04Å; T146-M150 WeakPolarHBondContact O-CB 3.36Å; T146-M150 VanDerWaalsContact O-CG 3.25Å; T146-M150 WeakPolarHBondContact O-CG 3.47Å; T146-M150 PolarHBondContact O-N 3.17Å
151H96.4Very high96.4Very high99 Ų9956.2 Ų56.246%0.45830%0.304SS..SBendtrans-64.1132.4176.4-168.2-82.9000109.7A147 M148 W149 I153 T154A147-H151 PolarHBondContact O-N 2.99Å; A147-H151 VanDerWaalsContact O-N 3.17Å; M148-H151 VanDerWaalsContact O-CB 3.27Å; M148-H151 WeakPolarHBondContact O-CB 3.25Å; M148-H151 PolarHBondContact O-N 2.85Å; W149-H151 PolarHBondContact O-N 3.23Å; H151-I153 WeakPolarHBondContact ND1-CB 3.3Å; H151-I153 WeakPolarHBondContact ND1-CG2 3.4Å; H151-I153 PolarHBondContact ND1-N 3.48Å; H151-I153 PolarHBondContact O-N 3.48Å; H151-I153 VanDerWaalsContact O-N 3.07Å; H151-T154 WeakPolarHBondContact O-CB 3.27Å; H151-T154 PolarHBondContact O-N 3.01Å
152P96.5Very high96.4Very high85 Ų8561.2 Ų61.255%0.55233%0.326SS*.Hα-helixtrans-58.7-30.6-172.320.8-33.8000113.6T154 A155 Q156P152-T154 VanDerWaalsContact C-N 3.28Å; P152-T154 PolarHBondContact O-N 2.72Å; P152-A155 PolarHBondContact O-N 3.16Å; P152-Q156 WeakPolarHBondContact O-CG 3.24Å; P152-Q156 PolarHBondContact O-N 2.72Å
153I98.1Very high96.4Very high78 Ų7867.9 Ų67.940%0.436%0.357SS..Hα-helixtrans-62.9-33.4176.9-151.2175.2000112.7H151 Q156 Q157H151-I153 WeakPolarHBondContact ND1-CB 3.3Å; H151-I153 WeakPolarHBondContact ND1-CG2 3.4Å; H151-I153 PolarHBondContact ND1-N 3.48Å; H151-I153 PolarHBondContact O-N 3.48Å; H151-I153 VanDerWaalsContact O-N 3.07Å; I153-Q156 WeakPolarHBondContact O-CB 3.4Å; I153-Q156 PolarHBondContact O-N 3.21Å; I153-Q157 HydrophobicContact CG1-CG 4.36Å; I153-Q157 WeakPolarHBondContact O-CB 3.21Å; I153-Q157 VanDerWaalsContact O-CG 3.24Å; I153-Q157 WeakPolarHBondContact O-CG 3.38Å; I153-Q157 PolarHBondContact O-N 2.63Å
154T97.9Very high96.4Very high5 Ų571.1 Ų71.13%0.03137%0.37CS..Hα-helixtrans-67.1-44.1-176.2-59.90000109.9L113 M144 M148 W149 H151 P152 Q156 Q157 V158L113-T154 HydrophobicContact CD2-CG2 3.93Å; M144-T154 HydrophobicContact CE-CG2 4.12Å; M144-T154 HydrophobicContact SD-CG2 3.8Å; M148-T154 WeakPolarHBondContact O-CB 3.48Å; M148-T154 PolarHBondContact O-OG1 3.08Å; W149-T154 HydrophobicContact CE3-CG2 3.77Å; W149-T154 HydrophobicContact CZ3-CG2 4.03Å; H151-T154 WeakPolarHBondContact O-CB 3.27Å; H151-T154 PolarHBondContact O-N 3.01Å; P152-T154 VanDerWaalsContact C-N 3.28Å; P152-T154 PolarHBondContact O-N 2.72Å; T154-Q156 VanDerWaalsContact C-N 3.29Å; T154-Q156 PolarHBondContact O-N 3.28Å; T154-Q157 PolarHBondContact O-N 3.05Å; T154-V158 HydrophobicContact CG2-CG2 4.36Å; T154-V158 WeakPolarHBondContact O-CB 3.33Å; T154-V158 WeakPolarHBondContact O-CG2 3.35Å; T154-V158 PolarHBondContact O-N 3.24Å
155A96.9Very high96.6Very high60 Ų6072.7 Ų72.750%0.49639%0.392SS..Hα-helixtrans-60.6-39.3175.600000112.3P152 S159P152-A155 PolarHBondContact O-N 3.16Å; A155-S159 WeakPolarHBondContact O-CB 3.31Å; A155-S159 PolarHBondContact O-N 3.1Å; A155-S159 PolarHBondContact O-OG 2.8Å
156Q98.6Very high96.8Very high131 Ų13168.9 Ų68.961%0.61237%0.37SS*.Hα-helixtrans-65.8-45.3175.9-64.9174.328.300111.6P152 I153 T154 S159 R160P152-Q156 WeakPolarHBondContact O-CG 3.24Å; P152-Q156 PolarHBondContact O-N 2.72Å; I153-Q156 WeakPolarHBondContact O-CB 3.4Å; I153-Q156 PolarHBondContact O-N 3.21Å; T154-Q156 VanDerWaalsContact C-N 3.29Å; T154-Q156 PolarHBondContact O-N 3.28Å; Q156-S159 PolarHBondContact O-N 3.22Å; Q156-R160 WeakPolarHBondContact O-CB 3.45Å; Q156-R160 PolarHBondContact O-N 2.76Å
157Q98.6Very high97.1Very high26 Ų2670 Ų7012%0.12138%0.376CS..Hα-helixtrans-66-43179.4-69166.7-13.400112L113 A117 I153 T154 S159 R160 L161L113-Q157 HydrophobicContact CD1-CB 3.99Å; L113-Q157 HydrophobicContact CD2-CB 4.06Å; L113-Q157 HydrophobicContact CG-CB 3.76Å; A117-Q157 HydrophobicContact CB-CB 3.83Å; A117-Q157 HydrophobicContact CB-CG 3.78Å; I153-Q157 HydrophobicContact CG1-CG 4.36Å; I153-Q157 WeakPolarHBondContact O-CB 3.21Å; I153-Q157 VanDerWaalsContact O-CG 3.24Å; I153-Q157 WeakPolarHBondContact O-CG 3.38Å; I153-Q157 PolarHBondContact O-N 2.63Å; T154-Q157 PolarHBondContact O-N 3.05Å; Q157-S159 VanDerWaalsContact C-N 3.33Å; Q157-S159 PolarHBondContact O-N 2.9Å; Q157-R160 WeakPolarHBondContact O-CB 3.13Å; Q157-R160 PolarHBondContact O-N 2.64Å; Q157-L161 VanDerWaalsContact O-CD1 3.26Å; Q157-L161 WeakPolarHBondContact O-CD1 2.96Å; Q157-L161 PolarHBondContact O-N 2.81Å
158V98.5Very high97.5Very high9 Ų968.4 Ų68.46%0.05536%0.356CS..Hα-helixtrans-60-45174.4169.40000110.6L113 F140 W149 T154 R160 L161 K162 E168L113-V158 HydrophobicContact CD1-CG2 4.35Å; L113-V158 HydrophobicContact CD2-CG2 4Å; F140-V158 HydrophobicContact CE2-CG1 4.29Å; F140-V158 HydrophobicContact CZ-CG1 4.31Å; W149-V158 HydrophobicContact CH2-CG2 4.17Å; W149-V158 HydrophobicContact CZ3-CG2 4.08Å; T154-V158 HydrophobicContact CG2-CG2 4.36Å; T154-V158 WeakPolarHBondContact O-CB 3.33Å; T154-V158 WeakPolarHBondContact O-CG2 3.35Å; T154-V158 PolarHBondContact O-N 3.24Å; V158-R160 VanDerWaalsContact C-N 3.31Å; V158-R160 PolarHBondContact O-N 3.44Å; V158-L161 PolarHBondContact O-N 2.94Å; V158-K162 HydrophobicContact CG1-CD 3.98Å; V158-K162 WeakPolarHBondContact O-CG 3.3Å; V158-K162 PolarHBondContact O-N 3.44Å; V158-K162 VanDerWaalsContact O-N 3.14Å; V158-E168 HydrophobicContact CG1-CG 4.44Å
159S98.5Very high97.6Very high60 Ų6064.4 Ų64.442%0.4234%0.337SS..Hα-helixtrans-60.5-42.9177.1-580000111.4A155 Q156 Q157 L161 K162 E163A155-S159 WeakPolarHBondContact O-CB 3.31Å; A155-S159 PolarHBondContact O-N 3.1Å; A155-S159 PolarHBondContact O-OG 2.8Å; Q156-S159 PolarHBondContact O-N 3.22Å; Q157-S159 VanDerWaalsContact C-N 3.33Å; Q157-S159 PolarHBondContact O-N 2.9Å; S159-L161 PolarHBondContact O-N 2.79Å; S159-K162 WeakPolarHBondContact O-CB 3.46Å; S159-K162 PolarHBondContact O-N 3.24Å; S159-K162 VanDerWaalsContact O-N 3.13Å; S159-E163 WeakPolarHBondContact O-CG 3.41Å; S159-E163 PolarHBondContact O-N 2.97Å
160R98.4Very high97.6Very high124 Ų12466.2 Ų66.247%0.46835%0.354SS..Hα-helixtrans-59.4-44.4176.5-173.465.7131.4151.71113.2A117 Q156 Q157 V158 K162 E163 F164A117-R160 HydrophobicContact CB-CB 4.42Å; A117-R160 HydrophobicContact CB-CG 4.34Å; Q156-R160 WeakPolarHBondContact O-CB 3.45Å; Q156-R160 PolarHBondContact O-N 2.76Å; Q157-R160 WeakPolarHBondContact O-CB 3.13Å; Q157-R160 PolarHBondContact O-N 2.64Å; V158-R160 VanDerWaalsContact C-N 3.31Å; V158-R160 PolarHBondContact O-N 3.44Å; R160-K162 VanDerWaalsContact C-N 3.28Å; R160-K162 PolarHBondContact O-N 3.44Å; R160-E163 WeakPolarHBondContact O-CB 2.94Å; R160-E163 PolarHBondContact O-N 2.83Å; R160-F164 HydrophobicContact CG-CE1 4.15Å; R160-F164 HydrophobicContact CG-CE2 4.04Å; R160-F164 HydrophobicContact CG-CZ 3.63Å; R160-F164 WeakPolarHBondContact O-CG 3.46Å; R160-F164 PolarHBondContact O-N 3.46Å
161L98.5Very high97.6Very high1 Ų160.9 Ų60.91%0.00533%0.329CS..Hα-helixtrans-62.6-38.3176.2-92.166000111.2L108 L113 I116 A117 F140 Q157 V158 S159 F164 Y166L108-L161 HydrophobicContact CD2-CD2 4.02Å; L113-L161 HydrophobicContact CD1-CD1 3.9Å; L113-L161 HydrophobicContact CD1-CD2 3.67Å; L113-L161 HydrophobicContact CD1-CG 4.37Å; I116-L161 HydrophobicContact CB-CD1 4.31Å; I116-L161 HydrophobicContact CG2-CD1 3.84Å; I116-L161 HydrophobicContact CG2-CD2 4.06Å; I116-L161 HydrophobicContact CG2-CG 3.87Å; A117-L161 HydrophobicContact CB-CD1 3.72Å; F140-L161 HydrophobicContact CD1-CD2 4.21Å; F140-L161 HydrophobicContact CD2-CD2 4.3Å; F140-L161 HydrophobicContact CE1-CB 3.9Å; F140-L161 HydrophobicContact CE1-CD2 4.27Å; F140-L161 HydrophobicContact CE2-CD2 4.37Å; F140-L161 HydrophobicContact CG-CD2 4.22Å; F140-L161 HydrophobicContact CZ-CB 3.96Å; F140-L161 HydrophobicContact CZ-CD2 4.33Å; Q157-L161 VanDerWaalsContact O-CD1 3.26Å; Q157-L161 WeakPolarHBondContact O-CD1 2.96Å; Q157-L161 PolarHBondContact O-N 2.81Å; V158-L161 PolarHBondContact O-N 2.94Å; S159-L161 PolarHBondContact O-N 2.79Å; L161-F164 WeakPolarHBondContact O-CB 3.44Å; L161-F164 PolarHBondContact O-N 3.04Å; L161-Y166 HydrophobicContact CB-CD2 4.06Å; L161-Y166 HydrophobicContact CD2-CD2 4.4Å; L161-Y166 HydrophobicContact CG-CD2 3.92Å; L161-Y166 HydrophobicContact CG-CE2 4.46Å; L161-Y166 VanDerWaalsContact O-CB 3.29Å; L161-Y166 WeakPolarHBondContact O-CB 3.49Å; L161-Y166 PolarHBondContact O-N 3.01Å
162K98.3Very high97.4Very high105 Ų10558.6 Ų58.646%0.45732%0.32SS..Hα-helixtrans-67.3-36.9176.7-65.5164.976.2160.30112F140 V158 S159 R160 F164 G165 E168F140-K162 HydrophobicContact CE1-CG 4.41Å; F140-K162 HydrophobicContact CZ-CG 4.12Å; V158-K162 HydrophobicContact CG1-CD 3.98Å; V158-K162 WeakPolarHBondContact O-CG 3.3Å; V158-K162 PolarHBondContact O-N 3.44Å; V158-K162 VanDerWaalsContact O-N 3.14Å; S159-K162 WeakPolarHBondContact O-CB 3.46Å; S159-K162 PolarHBondContact O-N 3.24Å; S159-K162 VanDerWaalsContact O-N 3.13Å; R160-K162 VanDerWaalsContact C-N 3.28Å; R160-K162 PolarHBondContact O-N 3.44Å; K162-F164 PolarHBondContact O-N 3.38Å; K162-G165 WeakPolarHBondContact O-CA 3.4Å; K162-G165 PolarHBondContact O-N 3.42Å; K162-E168 HydrophobicContact CD-CB 4.21Å; K162-E168 WeakPolarHBondContact CD-OE2 3.44Å; K162-E168 HydrophobicContact CG-CB 4.39Å; K162-E168 IonicContact NZ-OE2 2.7Å; K162-E168 PolarHBondContact NZ-OE2 2.71Å
163E97.9Very high96.7Very high139 Ų13957.2 Ų57.265%0.6531%0.312SS*.Hα-helixtrans-61.7-28.6172.1-70.4167.1-17100112.7S159 R160 G165S159-E163 WeakPolarHBondContact O-CG 3.41Å; S159-E163 PolarHBondContact O-N 2.97Å; R160-E163 WeakPolarHBondContact O-CB 2.94Å; R160-E163 PolarHBondContact O-N 2.83Å; E163-G165 PolarHBondContact O-N 2.87Å
164F97.1Very high95.2Very high71 Ų7159.6 Ų59.631%0.31132%0.32SS..THydrogen-bonded Turntrans-73-5.4172-56.5-27.1000113.6R160 L161 K162 Y166R160-F164 HydrophobicContact CG-CE1 4.15Å; R160-F164 HydrophobicContact CG-CE2 4.04Å; R160-F164 HydrophobicContact CG-CZ 3.63Å; R160-F164 WeakPolarHBondContact O-CG 3.46Å; R160-F164 PolarHBondContact O-N 3.46Å; L161-F164 WeakPolarHBondContact O-CB 3.44Å; L161-F164 PolarHBondContact O-N 3.04Å; K162-F164 PolarHBondContact O-N 3.38Å; F164-Y166 HydrophobicContact CB-CD1 4.27Å; F164-Y166 HydrophobicContact CB-CD2 4.23Å; F164-Y166 HydrophobicContact CB-CE1 4.08Å; F164-Y166 HydrophobicContact CB-CE2 4.06Å; F164-Y166 HydrophobicContact CB-CG 4.33Å; F164-Y166 HydrophobicContact CD2-CD2 4.34Å; F164-Y166 AromaticContact CD2-CE2 3.85Å; F164-Y166 HydrophobicContact CD2-CE2 3.85Å; F164-Y166 HydrophobicContact CG-CE2 4.47Å
165G97.4Very high93.1Very high53 Ų5369.1 Ų69.155%0.54636%0.361SS..THydrogen-bonded Turntrans90.38.3-175.300000113.9K162 E163K162-G165 WeakPolarHBondContact O-CA 3.4Å; K162-G165 PolarHBondContact O-N 3.42Å; E163-G165 PolarHBondContact O-N 2.87Å
166Y98.4Very high90.8Very high25 Ų2570 Ų7010%0.09836%0.357CS..  trans-78.4147.6177.6-52.7-19.8000111.1I116 V129 T134 L138 L161 F164I116-Y166 HydrophobicContact CG2-CE2 4.12Å; V129-Y166 HydrophobicContact CG1-CE2 4.24Å; T134-Y166 HydrophobicContact CG2-CE1 4.38Å; L138-Y166 HydrophobicContact CB-CD1 3.7Å; L138-Y166 HydrophobicContact CB-CE1 4.15Å; L138-Y166 HydrophobicContact CB-CG 4.12Å; L138-Y166 HydrophobicContact CD1-CD1 4.02Å; L138-Y166 HydrophobicContact CD1-CD2 4.21Å; L138-Y166 HydrophobicContact CD1-CE1 3.81Å; L138-Y166 HydrophobicContact CD1-CE2 4Å; L138-Y166 HydrophobicContact CD1-CG 4.23Å; L138-Y166 HydrophobicContact CD2-CD1 4.33Å; L138-Y166 HydrophobicContact CD2-CD2 4.02Å; L138-Y166 HydrophobicContact CD2-CG 3.89Å; L138-Y166 HydrophobicContact CG-CD1 4.23Å; L138-Y166 HydrophobicContact CG-CE1 4.49Å; L138-Y166 HydrophobicContact CG-CG 4.3Å; L138-Y166 CarbonylContact O-C 3.52Å; L138-Y166 WeakPolarHBondContact O-CA 3.4Å; L161-Y166 HydrophobicContact CB-CD2 4.06Å; L161-Y166 HydrophobicContact CD2-CD2 4.4Å; L161-Y166 HydrophobicContact CG-CD2 3.92Å; L161-Y166 HydrophobicContact CG-CE2 4.46Å; L161-Y166 VanDerWaalsContact O-CB 3.29Å; L161-Y166 WeakPolarHBondContact O-CB 3.49Å; L161-Y166 PolarHBondContact O-N 3.01Å; F164-Y166 HydrophobicContact CB-CD1 4.27Å; F164-Y166 HydrophobicContact CB-CD2 4.23Å; F164-Y166 HydrophobicContact CB-CE1 4.08Å; F164-Y166 HydrophobicContact CB-CE2 4.06Å; F164-Y166 HydrophobicContact CB-CG 4.33Å; F164-Y166 HydrophobicContact CD2-CD2 4.34Å; F164-Y166 AromaticContact CD2-CE2 3.85Å; F164-Y166 HydrophobicContact CD2-CE2 3.85Å; F164-Y166 HydrophobicContact CG-CE2 4.47Å
167V98.4Very high88.3Confident56 Ų5671.4 Ų71.434%0.33937%0.374SS..EExtended strand (participates in β ladder)trans-102.3115.2-172.8-178.80000110.2L138 L139 F140L138-V167 PolarHBondContact O-N 3.13Å; L139-V167 CarbonylContact C-O 3.5Å; L139-V167 VanDerWaalsContact CA-O 3.25Å; L139-V167 WeakPolarHBondContact CA-O 3.35Å; L139-V167 HydrophobicContact CG-CB 4.23Å; F140-V167 WeakPolarHBondContact CD1-O 3.49Å; F140-V167 PolarHBondContact N-O 2.68Å
168E98.3Very high85.7Confident42 Ų4274.6 Ų74.620%0.19640%0.398CS..EExtended strand (participates in β ladder)trans-74.3126.7174.9-176.4-176.1-168.800110.6F140 V158 K162F140-E168 HydrophobicContact CE1-CB 4Å; F140-E168 HydrophobicContact CE2-CB 3.87Å; F140-E168 HydrophobicContact CE2-CG 3.81Å; F140-E168 HydrophobicContact CZ-CB 3.49Å; F140-E168 VanDerWaalsContact CZ-CB 3.49Å; F140-E168 HydrophobicContact CZ-CG 3.95Å; V158-E168 HydrophobicContact CG1-CG 4.44Å; K162-E168 HydrophobicContact CD-CB 4.21Å; K162-E168 WeakPolarHBondContact CD-OE2 3.44Å; K162-E168 HydrophobicContact CG-CB 4.39Å; K162-E168 IonicContact NZ-OE2 2.7Å; K162-E168 PolarHBondContact NZ-OE2 2.71Å
169I98.1Very high83.2Confident8 Ų877.5 Ų77.54%0.04143%0.43CS..  trans-96.8108158.6-51.2-170.1000106.8L139 F140 P142 A188 T192 I193 A196L139-I169 HydrophobicContact CB-CD1 4.41Å; L139-I169 HydrophobicContact CB-CG1 4.48Å; L139-I169 HydrophobicContact CD2-CD1 3.93Å; L139-I169 HydrophobicContact CD2-CG1 4.4Å; F140-I169 PolarHBondContact O-N 3.39Å; P142-I169 WeakPolarHBondContact CD-O 3.4Å; I169-A188 HydrophobicContact CG2-CB 3.58Å; I169-T192 HydrophobicContact CG2-CG2 4.14Å; I169-I193 HydrophobicContact CD1-CB 4.29Å; I169-I193 HydrophobicContact CD1-CG1 4.26Å; I169-I193 HydrophobicContact CD1-CG2 4.12Å; I169-I193 HydrophobicContact CG2-CG1 4.49Å; I169-A196 HydrophobicContact CD1-CB 3.63Å; I169-A196 HydrophobicContact CG1-CB 4.39Å
170P95.7Very high80.6Confident81 Ų8179.8 Ų79.853%0.52644%0.438SS..PPolyproline II helixtrans-68.6150.8-16526.8-34.9000112.4
171C93.1Very high78.5Confident20 Ų2083 Ų8314%0.13546%0.458CS..PPolyproline II helixtrans-60.7151.1171.8-60.70000111.9P142 A186P142-C171 PolarHBondContact O-SG 3.11Å; C171-A186 CarbonylContact C-O 3.52Å; C171-A186 WeakPolarHBondContact CA-O 3.4Å; C171-A186 VanDerWaalsContact CB-O 3.24Å; C171-A186 WeakPolarHBondContact CB-O 3.45Å
172I91.5Very high76.3Confident51 Ų5183.4 Ų83.426%0.26246%0.462SS..EExtended strand (participates in β ladder)trans-99.715617063.8178.4000111A186 M187 E189I172-A186 HydrophobicContact CG1-CB 3.95Å; I172-A186 PolarHBondContact N-O 3.06Å; I172-A186 PolarHBondContact O-N 3.04Å; I172-M187 WeakPolarHBondContact CG1-O 3.46Å; I172-E189 HydrophobicContact CD1-CG 3.96Å; I172-E189 WeakPolarHBondContact CD1-OE1 3.28Å
173S83Confident74.4Confident56 Ų5680.8 Ų80.839%0.39246%0.457SS..EExtended strand (participates in β ladder)trans-86.9127.2166.5-76.70000109.4G182 K184S173-G182 WeakPolarHBondContact CB-O 3.48Å; S173-G182 PolarHBondContact OG-O 3.27Å; S173-K184 WeakPolarHBondContact OG-CG 3.33Å
174K66.6Low73.5Confident129 Ų12979.8 Ų79.856%0.56145%0.45SS*.PPolyproline II helixtrans-86.8124.1168.5-73.9-174.9176.7-177.40109.3L176 G182 A186K174-L176 PolarHBondContact O-N 3.27Å; K174-G182 WeakPolarHBondContact O-CA 3.48Å; K174-A186 HydrophobicContact CD-CB 4.13Å; K174-A186 HydrophobicContact CG-CB 3.9Å
175K54Low72.8Confident204 Ų20476.5 Ų76.589%0.88744%0.436SS*.PPolyproline II helixtrans-53.2122.2175.6-77.2-173.8175.4-176.80110
176L48.7Very low72.6Confident79 Ų7975 Ų7541%0.41442%0.419SS..PPolyproline II helixtrans-74.5144166.6-65.6170.9000108.2K174 C178 G179 D180K174-L176 PolarHBondContact O-N 3.27Å; L176-C178 PolarHBondContact O-N 3.03Å; L176-G179 PolarHBondContact O-N 3.2Å; L176-D180 HydrophobicContact CD1-CB 4.42Å
177V45.3Very low72.5Confident161 Ų16174.1 Ų74.198%0.97642%0.416SS*.THydrogen-bonded Turntrans-60-18.3-178.7-179.10000112
178C43.8Very low72.4Confident92 Ų9271.5 Ų71.562%0.62240%0.4SS*.THydrogen-bonded Turntrans-86.6-4-179.357.60000116L176 D180L176-C178 PolarHBondContact O-N 3.03Å; C178-D180 PolarHBondContact SG-OD2 3.17Å
179G45.1Very low72.3Confident70 Ų7073.4 Ų73.472%0.72241%0.409SS*.SBendtrans87.7-1.7177.900000115.9L176L176-G179 PolarHBondContact O-N 3.2Å
180D45.3Very low72.3Confident109 Ų10973.5 Ų73.558%0.58341%0.41SS*.SBendtrans-70.9151169.2-67.3-42.7000111.6L176 C178 G182L176-D180 HydrophobicContact CD1-CB 4.42Å; C178-D180 PolarHBondContact SG-OD2 3.17Å; D180-G182 PolarHBondContact O-N 3.04Å
181E53.9Low72.4Confident192 Ų19272.8 Ų72.890%0.89741%0.407SS*.  trans-56113.2173.4-74.4-166.4165.400109.7
182G52.3Low72.6Confident9 Ų975.1 Ų75.19%0.09342%0.421CS..  trans-48.2140.6-174.900000114.4S173 K174 D180 K184S173-G182 WeakPolarHBondContact CB-O 3.48Å; S173-G182 PolarHBondContact OG-O 3.27Å; K174-G182 WeakPolarHBondContact O-CA 3.48Å; D180-G182 PolarHBondContact O-N 3.04Å; G182-K184 PolarHBondContact O-N 3.02Å
183S59Low72.9Confident49 Ų4972.7 Ų72.734%0.34341%0.408SS..  trans-53.6109.7178.3750000110.7T146T146-S183 WeakPolarHBondContact OG1-CA 3.41Å; T146-S183 WeakPolarHBondContact OG1-CB 3.24Å; T146-S183 PolarHBondContact OG1-O 3.45Å; T146-S183 PolarHBondContact OG1-OG 3.29Å
184K78.2Confident73.6Confident119 Ų11970.2 Ų70.252%0.51739%0.39SS..EExtended strand (participates in β ladder)trans-62.9146.8177.4-80.9-174.5177176.70110.8T146 S173 G182T146-K184 WeakPolarHBondContact CA-O 3.13Å; T146-K184 VanDerWaalsContact CB-O 3.24Å; T146-K184 WeakPolarHBondContact CB-O 3.2Å; T146-K184 WeakPolarHBondContact CG2-O 3.2Å; T146-K184 PolarHBondContact OG1-O 3.17Å; S173-K184 WeakPolarHBondContact OG-CG 3.33Å; G182-K184 PolarHBondContact O-N 3.02Å
185G83.7Confident75Confident1 Ų167 Ų671%0.0138%0.384CS..EExtended strand (participates in β ladder)trans127.6-5.8175.700000114.7A143 M144A143-G185 WeakPolarHBondContact CA-O 3.5Å; M144-G185 PolarHBondContact N-O 3.18Å; M144-G185 CarbonylContact O-C 3.3Å; M144-G185 VanDerWaalsContact O-C 3.3Å
186A92.2Very high77.1Confident22 Ų2258 Ų5818%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-70.9140.9171.800000110.5C171 I172 K174C171-A186 CarbonylContact C-O 3.52Å; C171-A186 WeakPolarHBondContact CA-O 3.4Å; C171-A186 VanDerWaalsContact CB-O 3.24Å; C171-A186 WeakPolarHBondContact CB-O 3.45Å; I172-A186 HydrophobicContact CG1-CB 3.95Å; I172-A186 PolarHBondContact N-O 3.06Å; I172-A186 PolarHBondContact O-N 3.04Å; K174-A186 HydrophobicContact CD-CB 4.13Å; K174-A186 HydrophobicContact CG-CB 3.9Å
187M95.7Very high79.3Confident6 Ų654.3 Ų54.33%0.0333%0.329CS..PPolyproline II helixtrans-53.9143173.8-162.8173.571.100110.7A34 K37 A106 P107 C141 A143 I172 I193A34-M187 HydrophobicContact CB-CB 3.75Å; A34-M187 HydrophobicContact CB-CE 4.11Å; A34-M187 HydrophobicContact CB-CG 4.45Å; A34-M187 HydrophobicContact CB-SD 3.95Å; K37-M187 HydrophobicContact CB-CE 4.05Å; K37-M187 HydrophobicContact CD-CE 3.9Å; K37-M187 HydrophobicContact CG-CE 4.45Å; A106-M187 HydrophobicContact CB-SD 4.25Å; P107-M187 VanDerWaalsContact CA-SD 3.52Å; P107-M187 HydrophobicContact CB-SD 3.65Å; P107-M187 HydrophobicContact CG-SD 4.37Å; C141-M187 HydrophobicContact CB-CG 3.92Å; C141-M187 HydrophobicContact CB-SD 4.39Å; A143-M187 HydrophobicContact CB-CB 3.66Å; A143-M187 HydrophobicContact CB-CG 4.19Å; I172-M187 WeakPolarHBondContact CG1-O 3.46Å; M187-I193 HydrophobicContact CE-CD1 4.16Å; M187-I193 HydrophobicContact CG-CD1 4.38Å; M187-I193 HydrophobicContact SD-CD1 4.31Å
188A96.1Very high81.7Confident2 Ų253.4 Ų53.42%0.01731%0.308CS..PPolyproline II helixtrans-49.9154.316900000112I169 T192 I193I169-A188 HydrophobicContact CG2-CB 3.58Å; A188-T192 HydrophobicContact CB-CG2 4.46Å; A188-I193 HydrophobicContact CB-CG1 4.19Å
189E96.8Very high84.1Confident82 Ų8256.3 Ų56.338%0.38331%0.312SS..PPolyproline II helixtrans-66.3147.2174.7-66.7-54154.600111.2K37 I172 S191 T192 I193K37-E189 IonicContact NZ-OE1 2.76Å; K37-E189 IonicContact NZ-OE2 2.77Å; K37-E189 PolarHBondContact NZ-OE2 2.94Å; I172-E189 HydrophobicContact CD1-CG 3.96Å; I172-E189 WeakPolarHBondContact CD1-OE1 3.28Å; E189-S191 PolarHBondContact O-N 3.08Å; E189-T192 WeakPolarHBondContact O-CA 3.12Å; E189-T192 VanDerWaalsContact O-CB 3.26Å; E189-T192 WeakPolarHBondContact O-CB 3.45Å; E189-T192 PolarHBondContact O-N 2.86Å; E189-I193 PolarHBondContact O-N 2.76Å; E189-I193 VanDerWaalsContact O-N 3.14Å
190V97.8Very high86.4Confident10 Ų1057.2 Ų57.26%0.06130%0.295CS..Hα-helixtrans-54.4-44.7-177.1175.70000110.7K37 V40 L41 E44 T192 I193 V194K37-V190 HydrophobicContact CB-CG2 4.07Å; K37-V190 HydrophobicContact CD-CG2 4.14Å; V40-V190 HydrophobicContact CG1-CG1 4.31Å; V40-V190 HydrophobicContact CG1-CG2 4.42Å; L41-V190 HydrophobicContact CB-CG1 4Å; L41-V190 HydrophobicContact CB-CG2 4.44Å; L41-V190 HydrophobicContact CD1-CG1 3.92Å; E44-V190 HydrophobicContact CB-CG1 4.39Å; E44-V190 HydrophobicContact CG-CG1 4.32Å; E44-V190 WeakPolarHBondContact OE2-CG1 3.48Å; V190-T192 PolarHBondContact O-N 3.03Å; V190-I193 WeakPolarHBondContact O-CA 3.4Å; V190-I193 WeakPolarHBondContact O-CB 3.46Å; V190-I193 PolarHBondContact O-N 3.07Å; V190-V194 HydrophobicContact CG1-CG2 4.14Å; V190-V194 WeakPolarHBondContact O-CG2 3.38Å; V190-V194 PolarHBondContact O-N 3.07Å
191S97.4Very high88.5Confident66 Ų6653.5 Ų53.546%0.46227%0.274SS..Hα-helixtrans-57.8-33.1176.660.20000113.7E189 S195E189-S191 PolarHBondContact O-N 3.08Å; S191-S195 VanDerWaalsContact O-CB 3.26Å; S191-S195 WeakPolarHBondContact O-CB 3.14Å; S191-S195 PolarHBondContact O-N 3.05Å; S191-S195 PolarHBondContact O-OG 3.11Å
192T97.8Very high90Very high69 Ų6949 Ų4942%0.42326%0.262SS..Hα-helixtrans-70.4-43175.4-56.70000110.4I169 A188 E189 V190 S195 A196I169-T192 HydrophobicContact CG2-CG2 4.14Å; A188-T192 HydrophobicContact CB-CG2 4.46Å; E189-T192 WeakPolarHBondContact O-CA 3.12Å; E189-T192 VanDerWaalsContact O-CB 3.26Å; E189-T192 WeakPolarHBondContact O-CB 3.45Å; E189-T192 PolarHBondContact O-N 2.86Å; V190-T192 PolarHBondContact O-N 3.03Å; T192-S195 PolarHBondContact O-N 3.06Å; T192-A196 PolarHBondContact O-N 3.17Å
193I98Very high91.2Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-61.7-51.2176.9-57.1171.9000109.7L41 I104 A106 C141 I169 M187 A188 E189 V190 S195 A196 V197L41-I193 HydrophobicContact CD1-CB 4.15Å; L41-I193 HydrophobicContact CD1-CG2 3.81Å; I104-I193 HydrophobicContact CG2-CG2 4.13Å; A106-I193 HydrophobicContact CB-CD1 4.04Å; C141-I193 HydrophobicContact CB-CD1 4.34Å; I169-I193 HydrophobicContact CD1-CB 4.29Å; I169-I193 HydrophobicContact CD1-CG1 4.26Å; I169-I193 HydrophobicContact CD1-CG2 4.12Å; I169-I193 HydrophobicContact CG2-CG1 4.49Å; M187-I193 HydrophobicContact CE-CD1 4.16Å; M187-I193 HydrophobicContact CG-CD1 4.38Å; M187-I193 HydrophobicContact SD-CD1 4.31Å; A188-I193 HydrophobicContact CB-CG1 4.19Å; E189-I193 PolarHBondContact O-N 2.76Å; E189-I193 VanDerWaalsContact O-N 3.14Å; V190-I193 WeakPolarHBondContact O-CA 3.4Å; V190-I193 WeakPolarHBondContact O-CB 3.46Å; V190-I193 PolarHBondContact O-N 3.07Å; I193-S195 VanDerWaalsContact C-N 3.3Å; I193-S195 PolarHBondContact O-N 2.95Å; I193-A196 WeakPolarHBondContact O-CB 3.48Å; I193-A196 PolarHBondContact O-N 3.25Å; I193-V197 WeakPolarHBondContact O-CG2 3.43Å; I193-V197 PolarHBondContact O-N 2.7Å
194V97.9Very high91.4Very high3 Ų360.9 Ų60.92%0.01832%0.316CS..Hα-helixtrans-60.1-39.6178.1175.50000111.8L41 E44 L45 L48 V190 A196 V197 R198L41-V194 HydrophobicContact CD1-CG2 3.99Å; E44-V194 HydrophobicContact CB-CG2 3.77Å; L45-V194 HydrophobicContact CD2-CG2 4Å; L45-V194 HydrophobicContact CG-CG2 4.22Å; L48-V194 HydrophobicContact CD1-CG1 4.09Å; L48-V194 HydrophobicContact CD2-CG1 4.06Å; L48-V194 HydrophobicContact CG-CG1 4.37Å; V190-V194 HydrophobicContact CG1-CG2 4.14Å; V190-V194 WeakPolarHBondContact O-CG2 3.38Å; V190-V194 PolarHBondContact O-N 3.07Å; V194-A196 VanDerWaalsContact C-N 3.31Å; V194-A196 PolarHBondContact O-N 3.34Å; V194-V197 WeakPolarHBondContact O-CB 3.45Å; V194-V197 PolarHBondContact O-N 2.77Å; V194-R198 WeakPolarHBondContact O-CG 3.35Å; V194-R198 PolarHBondContact O-N 2.85Å
195S97.1Very high90.4Very high62 Ų6261.8 Ų61.843%0.43433%0.327SS..Hα-helixtrans-64.3-35.4175.2-62.70000112.6S191 T192 I193S191-S195 VanDerWaalsContact O-CB 3.26Å; S191-S195 WeakPolarHBondContact O-CB 3.14Å; S191-S195 PolarHBondContact O-N 3.05Å; S191-S195 PolarHBondContact O-OG 3.11Å; T192-S195 PolarHBondContact O-N 3.06Å; I193-S195 VanDerWaalsContact C-N 3.3Å; I193-S195 PolarHBondContact O-N 2.95Å
196A97.2Very high88.9Confident16 Ų1670.4 Ų70.413%0.13237%0.367CS..Hα-helixtrans-67.2-41.1173.600000111.4L139 I169 T192 I193 V194 R198 Q199 Y200L139-A196 HydrophobicContact CD2-CB 3.82Å; I169-A196 HydrophobicContact CD1-CB 3.63Å; I169-A196 HydrophobicContact CG1-CB 4.39Å; T192-A196 PolarHBondContact O-N 3.17Å; I193-A196 WeakPolarHBondContact O-CB 3.48Å; I193-A196 PolarHBondContact O-N 3.25Å; V194-A196 VanDerWaalsContact C-N 3.31Å; V194-A196 PolarHBondContact O-N 3.34Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.28Å; A196-Q199 WeakPolarHBondContact O-CB 3.33Å; A196-Q199 PolarHBondContact O-N 2.97Å; A196-Y200 VanDerWaalsContact O-CD2 3.26Å; A196-Y200 WeakPolarHBondContact O-CD2 3.44Å; A196-Y200 WeakPolarHBondContact O-CE2 2.7Å
197V95.9Very high86.5Confident0 Ų073.3 Ų73.30%039%0.386CS..Hα-helixtrans-58.7-44.8174.8176.80000112V25 L45 L48 L102 I104 I193 V194 Q199 Y200V25-V197 HydrophobicContact CG2-CG1 4.25Å; L45-V197 HydrophobicContact CD2-CB 4.04Å; L45-V197 HydrophobicContact CD2-CG1 3.97Å; L45-V197 HydrophobicContact CD2-CG2 3.79Å; L48-V197 HydrophobicContact CD1-CG1 4.21Å; L102-V197 HydrophobicContact CD2-CB 4.28Å; L102-V197 HydrophobicContact CD2-CG1 3.65Å; L102-V197 HydrophobicContact CD2-CG2 4.13Å; I104-V197 HydrophobicContact CD1-CB 4.45Å; I104-V197 HydrophobicContact CD1-CG2 3.11Å; I104-V197 HydrophobicContact CG1-CG2 4.23Å; I193-V197 WeakPolarHBondContact O-CG2 3.43Å; I193-V197 PolarHBondContact O-N 2.7Å; V194-V197 WeakPolarHBondContact O-CB 3.45Å; V194-V197 PolarHBondContact O-N 2.77Å; V197-Q199 PolarHBondContact O-N 3.44Å; V197-Y200 PolarHBondContact O-N 3.48Å
198R95.1Very high84Confident143 Ų14381.4 Ų81.454%0.5442%0.424SS..Hα-helixtrans-54.8-28.6179.8-76.9-178.3-172.9178.92.5113.5L48 V194 A196 Y200 L201L48-R198 HydrophobicContact CD1-CG 3.95Å; L48-R198 HydrophobicContact CD2-CG 3.9Å; V194-R198 WeakPolarHBondContact O-CG 3.35Å; V194-R198 PolarHBondContact O-N 2.85Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.28Å; R198-Y200 PolarHBondContact O-N 3.5Å; R198-L201 PolarHBondContact O-N 3.39Å
199Q94.3Very high81.3Confident152 Ų15291.2 Ų91.271%0.7147%0.466SS*.THydrogen-bonded Turntrans-67.6-20.4179.1-60.9175.828.400112.9A196 V197A196-Q199 WeakPolarHBondContact O-CB 3.33Å; A196-Q199 PolarHBondContact O-N 2.97Å; V197-Q199 PolarHBondContact O-N 3.44Å
200Y92.8Very high78.5Confident90 Ų9097 Ų9735%0.35351%0.507SS..THydrogen-bonded Turntrans-99.5-2.4178.2-60.7-81.9000113.1L102 P137 L139 A196 V197 R198L102-Y200 HydrophobicContact CD1-CD2 4.21Å; L102-Y200 HydrophobicContact CD1-CG 4.19Å; P137-Y200 HydrophobicContact CB-CD1 3.67Å; P137-Y200 HydrophobicContact CB-CE1 3.51Å; P137-Y200 HydrophobicContact CB-CG 4.25Å; P137-Y200 HydrophobicContact CG-CD1 3.64Å; P137-Y200 HydrophobicContact CG-CE1 4.02Å; P137-Y200 HydrophobicContact CG-CG 4.12Å; L139-Y200 HydrophobicContact CD1-CD2 4.37Å; L139-Y200 HydrophobicContact CD1-CE2 3.94Å; L139-Y200 HydrophobicContact CD2-CE2 3.99Å; L139-Y200 HydrophobicContact CG-CE2 4.34Å; A196-Y200 VanDerWaalsContact O-CD2 3.26Å; A196-Y200 WeakPolarHBondContact O-CD2 3.44Å; A196-Y200 WeakPolarHBondContact O-CE2 2.7Å; V197-Y200 PolarHBondContact O-N 3.48Å; R198-Y200 PolarHBondContact O-N 3.5Å
201L90.4Very high77.5Confident30 Ų30101.4 Ų101.416%0.15753%0.53CS..SBendtrans-82146.5175-58.3-173.9000110.1V23 L48 V51 R198 K203V23-L201 HydrophobicContact CB-CD2 3.67Å; V23-L201 HydrophobicContact CG1-CD2 3.68Å; V23-L201 HydrophobicContact CG2-CD2 3.73Å; L48-L201 HydrophobicContact CB-CD1 4.05Å; L48-L201 HydrophobicContact CD1-CD1 3.78Å; L48-L201 HydrophobicContact CG-CD1 4.47Å; V51-L201 HydrophobicContact CG2-CD1 3.69Å; V51-L201 HydrophobicContact CG2-CD2 3.76Å; V51-L201 HydrophobicContact CG2-CG 4.42Å; R198-L201 PolarHBondContact O-N 3.39Å; L201-K203 PolarHBondContact O-N 3.49Å
202P85.3Confident76.5Confident98 Ų98103.3 Ų103.364%0.63653%0.533SS*.PPolyproline II helixtrans-52.5133.9169.1-22.230.8000109.8V23V23-P202 VanDerWaalsContact CG2-CD 3.48Å; V23-P202 HydrophobicContact CG2-CG 4.18Å
203K76.3Confident75.3Confident193 Ų193105.2 Ų105.284%0.83954%0.54SS*.PPolyproline II helixtrans-62.9137.6171.6-68.9-176.3-179.9178.60108.2L201 D205L201-K203 PolarHBondContact O-N 3.49Å; K203-D205 PolarHBondContact O-N 2.76Å
204P64.6Low73.9Confident114 Ų114111.4 Ų111.474%0.7457%0.571SS**PPolyproline II helixtrans-56.8132170.323.3-30.4000108.2E206P204-E206 PolarHBondContact O-N 2.66Å
205D56.5Low72.4Confident139 Ų139118.1 Ų118.174%0.74361%0.606SS**  trans-56.7108.7-179.5-134.3-31.2000108.7K203 S207K203-D205 PolarHBondContact O-N 2.76Å; D205-S207 PolarHBondContact O-N 3.08Å; D205-S207 VanDerWaalsContact O-N 3.07Å; D205-S207 PolarHBondContact OD1-OG 3.45Å
206E51.1Low70.8Confident182 Ų182121.9 Ų121.985%0.8562%0.617SS**G310 helixtrans-73.49.2178.8-74.3-171.9154.400112.6P204 Q208P204-E206 PolarHBondContact O-N 2.66Å; E206-Q208 VanDerWaalsContact C-N 3.31Å; E206-Q208 PolarHBondContact O-N 3.48Å
207S43.4Very low68.9Low82 Ų82129.4 Ų129.457%0.57365%0.652SS**G310 helixtrans-839.1-17448.60000115.2D205D205-S207 PolarHBondContact O-N 3.08Å; D205-S207 VanDerWaalsContact O-N 3.07Å; D205-S207 PolarHBondContact OD1-OG 3.45Å
208Q42.3Very low66.8Low177 Ų177139.4 Ų139.483%0.82770%0.702SS**G310 helixtrans-123.930.8174.8-67.8-171.87.500114.6E206E206-Q208 VanDerWaalsContact C-N 3.31Å; E206-Q208 PolarHBondContact O-N 3.48Å
209K39Very low64.5Low207 Ų207139.1 Ų139.190%0.972%0.716SS**  trans-108.578.7160.4-72.4-177.6-179.1174.40108.7
210T37.9Very low61.8Low205 Ų205137.9 Ų137.9100%1.25872%0.716SS**  trans-99.40162.9-13.60000108.2

Retrieved 210 of 210 residues in 186.1 ms (Link to these results)

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