G4LY04_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession G4LY04, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M43.1Very low80.5Confident230 Ų230121.5 Ų121.5100%1.13358%0.576SS**  010.40-76.1-176175.600113.1N3M1-N3 PolarHBondContact O-N 3.49Å
2E50.2Low81.9Confident194 Ų194116.4 Ų116.491%0.90756%0.555SS**  trans-81.7-7.5-171.9-75.3175.4127.900116R4E2-R4 PolarHBondContact O-N 2.89Å
3N57.5Low83.1Confident116 Ų116108.4 Ų108.462%0.6252%0.517SS*.THydrogen-bonded Turntrans-96.717.9-161.5-141.89.6000116.3M1M1-N3 PolarHBondContact O-N 3.49Å
4R70.7Confident84.2Confident187 Ų187111.7 Ų111.771%0.70653%0.532SS*.THydrogen-bonded Turntrans-104.1-0.9-177.3-78.3-162.9-80.2179.6-6115.1E2E2-R4 PolarHBondContact O-N 2.89Å
5R86.4Confident85Confident223 Ų223108.9 Ų108.984%0.84254%0.535SS*.  trans-95.9123.4-179-170.6175.5179.2178.10.4110.7L7R5-L7 PolarHBondContact O-N 3.19Å
6A94Very high85.8Confident19 Ų19107.8 Ų107.816%0.15754%0.538CS..  trans-64.5128.316700000110.3V22 F76 Q77 Y78A6-V22 HydrophobicContact CB-CG1 3.7Å; A6-F76 HydrophobicContact CB-CD2 3.69Å; A6-F76 HydrophobicContact CB-CE2 4.15Å; A6-F76 HydrophobicContact CB-CG 4.39Å; A6-Q77 CarbonylContact C-O 3.57Å; A6-Q77 WeakPolarHBondContact CA-O 3.3Å; A6-Y78 HydrophobicContact CB-CD2 4.41Å
7L95.3Very high86.5Confident97 Ų97102.8 Ų102.851%0.50851%0.514SS..EExtended strand (participates in β ladder)trans-93.199.6175.5179.667.2000109.1R5 K9 F76 Q77R5-L7 PolarHBondContact O-N 3.19Å; L7-K9 PolarHBondContact O-N 3.5Å; L7-F76 CarbonylContact O-C 3.53Å; L7-F76 VanDerWaalsContact O-CA 3.3Å; L7-F76 WeakPolarHBondContact O-CA 3.29Å; L7-F76 WeakPolarHBondContact O-CB 3.41Å; L7-Q77 HydrophobicContact CB-CB 4.3Å; L7-Q77 PolarHBondContact N-O 3.49Å; L7-Q77 PolarHBondContact O-N 3.39Å
8M96.4Very high87.1Confident60 Ų6099.8 Ų99.830%0.29650%0.498SS..EExtended strand (participates in β ladder)trans-62.8130.9179-166.757.651.600111.1T11 Q18 V22 F76M8-T11 HydrophobicContact CG-CG2 3.91Å; M8-T11 HydrophobicContact SD-CG2 3.81Å; M8-Q18 HydrophobicContact CE-CG 4.02Å; M8-V22 HydrophobicContact CE-CG2 4.07Å; M8-F76 HydrophobicContact CE-CB 3.84Å; M8-F76 HydrophobicContact CE-CD1 4.02Å; M8-F76 HydrophobicContact CE-CG 4.16Å; M8-F76 HydrophobicContact SD-CB 4.02Å
9K96.5Very high87.6Confident99 Ų99101.2 Ų101.243%0.4350%0.5SS..EExtended strand (participates in β ladder)trans-108-44.2178.1-64-62.8-173.3177.90111.8L7 Y75 Q77L7-K9 PolarHBondContact O-N 3.5Å; K9-Y75 WeakPolarHBondContact CA-O 3.45Å; K9-Y75 HydrophobicContact CB-CD1 3.41Å; K9-Y75 VanDerWaalsContact CB-CD1 3.41Å; K9-Y75 HydrophobicContact CB-CD2 4.41Å; K9-Y75 HydrophobicContact CB-CE1 3.47Å; K9-Y75 VanDerWaalsContact CB-CE1 3.47Å; K9-Y75 HydrophobicContact CB-CE2 4.42Å; K9-Y75 HydrophobicContact CB-CG 3.91Å; K9-Y75 WeakPolarHBondContact CB-O 3.23Å; K9-Y75 HydrophobicContact CG-CD1 4.17Å; K9-Y75 HydrophobicContact CG-CE1 3.81Å; K9-Y75 HydrophobicContact CG-CE2 4.2Å; K9-Y75 PolarHBondContact N-O 3.02Å; K9-Q77 HydrophobicContact CG-CG 4.36Å; K9-Q77 VanDerWaalsContact NZ-OE1 3.07Å
10S97.1Very high88.2Confident64 Ų6498.2 Ų98.245%0.44849%0.486SS..EExtended strand (participates in β ladder)trans-158.8140.4175.4-175.40000109.4Y75S10-Y75 PolarHBondContact N-O 3.39Å; S10-Y75 PolarHBondContact O-N 2.95Å
11T97.9Very high88.6Confident47 Ų4793.5 Ų93.529%0.28846%0.463SS..EExtended strand (participates in β ladder)trans-158.6142.9176.9-176.80000109M8 M13 F73M8-T11 HydrophobicContact CG-CG2 3.91Å; M8-T11 HydrophobicContact SD-CG2 3.81Å; T11-M13 PolarHBondContact OG1-N 3.08Å; T11-F73 VanDerWaalsContact CA-O 3.29Å; T11-F73 WeakPolarHBondContact CA-O 3.05Å; T11-F73 PolarHBondContact OG1-O 3.35Å
12D98Very high91.2Very high61 Ų6183.6 Ų83.633%0.32642%0.415SS..  trans-111.4-6.2167.268.7-6.9000111.9H68 G71 Y72 F73D12-H68 IonicContact OD2-CD2 3.81Å; D12-H68 IonicContact OD2-NE2 3.77Å; D12-G71 VanDerWaalsContact CG-N 3.26Å; D12-G71 PolarHBondContact OD2-N 2.73Å; D12-Y72 PolarHBondContact OD1-N 2.97Å; D12-F73 PolarHBondContact N-O 3.43Å; D12-F73 WeakPolarHBondContact OD1-CA 3.48Å; D12-F73 WeakPolarHBondContact OD1-CB 3.38Å; D12-F73 PolarHBondContact OD1-N 3.06Å
13M97.8Very high93.5Very high12 Ų1277.8 Ų77.86%0.05939%0.39CS..SBendtrans-60.2144.2175.9-65178-177.200113.3T11 L17 Q18 V21 W54 G71 Y72T11-M13 PolarHBondContact OG1-N 3.08Å; M13-L17 HydrophobicContact CG-CD2 4.32Å; M13-L17 HydrophobicContact SD-CD2 4.5Å; M13-L17 HydrophobicContact SD-CG 4.25Å; M13-Q18 HydrophobicContact CB-CB 4.04Å; M13-V21 HydrophobicContact CE-CG2 4Å; M13-V21 HydrophobicContact SD-CB 4.34Å; M13-V21 HydrophobicContact SD-CG2 3.86Å; M13-W54 HydrophobicContact CE-CH2 3.89Å; M13-W54 HydrophobicContact CE-CZ3 3.59Å; M13-G71 WeakPolarHBondContact CA-O 3.39Å; M13-G71 WeakPolarHBondContact CG-O 3.4Å; M13-Y72 VanDerWaalsContact CE-O 3.29Å; M13-Y72 WeakPolarHBondContact CE-O 3.49Å
14Q97.5Very high95.4Very high155 Ų15572.8 Ų72.872%0.72436%0.364SS*.  trans-65.6148.3166.8-60.6-174.223.700111.1P16 L17 Q18Q14-P16 VanDerWaalsContact C-CD 3.42Å; Q14-P16 VanDerWaalsContact C-N 3.33Å; Q14-P16 VanDerWaalsContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 2.93Å; Q14-L17 VanDerWaalsContact O-N 3.07Å; Q14-Q18 WeakPolarHBondContact O-CB 3.26Å; Q14-Q18 PolarHBondContact O-N 3.39Å
15A96.9Very high96.7Very high70 Ų7063.9 Ų63.958%0.57933%0.33SS*.Hα-helixtrans-51.4-39.6-174.400000115.1K19A15-K19 WeakPolarHBondContact O-CB 3.41Å; A15-K19 PolarHBondContact O-N 2.94Å
16P97.5Very high97.1Very high90 Ų9054.6 Ų54.658%0.58430%0.299SS*.Hα-helixtrans-62.8-48176.5-23.635.3000113.1Q14 K19 I20Q14-P16 VanDerWaalsContact C-CD 3.42Å; Q14-P16 VanDerWaalsContact C-N 3.33Å; Q14-P16 VanDerWaalsContact O-N 3.15Å; P16-K19 PolarHBondContact O-N 3.02Å; P16-I20 WeakPolarHBondContact O-CG1 3.31Å; P16-I20 PolarHBondContact O-N 2.87Å
17L97.9Very high97.2Very high24 Ų2456.1 Ų56.113%0.12631%0.305CS..Hα-helixtrans-68.5-41.9-180-179.360.9000111.3M13 Q14 K19 I20 V21 M46 W54 Y72M13-L17 HydrophobicContact CG-CD2 4.32Å; M13-L17 HydrophobicContact SD-CD2 4.5Å; M13-L17 HydrophobicContact SD-CG 4.25Å; Q14-L17 PolarHBondContact O-N 2.93Å; Q14-L17 VanDerWaalsContact O-N 3.07Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.49Å; L17-I20 PolarHBondContact O-N 3.21Å; L17-I20 VanDerWaalsContact O-N 3.15Å; L17-V21 WeakPolarHBondContact O-CG2 3.4Å; L17-V21 PolarHBondContact O-N 3.39Å; L17-M46 HydrophobicContact CD1-CE 3.75Å; L17-W54 HydrophobicContact CD1-CH2 4.31Å; L17-W54 HydrophobicContact CD1-CZ2 4.49Å; L17-W54 HydrophobicContact CD2-CH2 4.23Å; L17-Y72 HydrophobicContact CD2-CD1 3.71Å; L17-Y72 HydrophobicContact CD2-CE1 3.83Å
18Q97.7Very high97.4Very high48 Ų4851.5 Ų51.522%0.22428%0.281CS..Hα-helixtrans-55.5-45.2175.1-174.1-164.616.300111.3M8 M13 Q14 I20 V21 V22M8-Q18 HydrophobicContact CE-CG 4.02Å; M13-Q18 HydrophobicContact CB-CB 4.04Å; Q14-Q18 WeakPolarHBondContact O-CB 3.26Å; Q14-Q18 PolarHBondContact O-N 3.39Å; Q18-I20 VanDerWaalsContact C-N 3.35Å; Q18-I20 PolarHBondContact O-N 3.08Å; Q18-V21 PolarHBondContact O-N 3.44Å; Q18-V22 WeakPolarHBondContact O-CG2 3.15Å; Q18-V22 PolarHBondContact O-N 2.83Å
19K96.8Very high97.3Very high126 Ų12650 Ų5055%0.54828%0.276SS..Hα-helixtrans-61.7-44.1178.2-173.7-177.9-175.2-58.70111.3A15 P16 L17 V22 D23A15-K19 WeakPolarHBondContact O-CB 3.41Å; A15-K19 PolarHBondContact O-N 2.94Å; P16-K19 PolarHBondContact O-N 3.02Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.49Å; K19-V22 PolarHBondContact O-N 3.11Å; K19-D23 IonicContact NZ-OD1 3.79Å; K19-D23 IonicContact NZ-OD2 2.6Å; K19-D23 PolarHBondContact NZ-OD2 2.67Å; K19-D23 WeakPolarHBondContact O-CB 3.37Å; K19-D23 VanDerWaalsContact O-CG 3.22Å; K19-D23 PolarHBondContact O-N 2.86Å
20I97.9Very high97.3Very high41 Ų4151.5 Ų51.521%0.2128%0.284CS..Hα-helixtrans-60.8-47.9178.6-66.6168000110.4P16 L17 Q18 V22 D23 T24 M46 Y49P16-I20 WeakPolarHBondContact O-CG1 3.31Å; P16-I20 PolarHBondContact O-N 2.87Å; L17-I20 PolarHBondContact O-N 3.21Å; L17-I20 VanDerWaalsContact O-N 3.15Å; Q18-I20 VanDerWaalsContact C-N 3.35Å; Q18-I20 PolarHBondContact O-N 3.08Å; I20-V22 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 2.79Å; I20-D23 PolarHBondContact O-N 2.78Å; I20-T24 WeakPolarHBondContact O-CB 3.37Å; I20-T24 PolarHBondContact O-N 3.35Å; I20-T24 PolarHBondContact O-OG1 2.76Å; I20-M46 HydrophobicContact CG2-SD 4.23Å; I20-Y49 HydrophobicContact CD1-CE1 3.58Å; I20-Y49 HydrophobicContact CD1-CE2 4.35Å; I20-Y49 VanDerWaalsContact CD1-CZ 3.44Å; I20-Y49 WeakPolarHBondContact CD1-OH 3.36Å; I20-Y49 HydrophobicContact CG2-CD1 4.12Å; I20-Y49 HydrophobicContact CG2-CE1 4.08Å
21V98.2Very high97.3Very high0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-57.5-46.8177.4168.10000111.5M13 L17 Q18 T24 C25 M46 W54 F76 V85M13-V21 HydrophobicContact CE-CG2 4Å; M13-V21 HydrophobicContact SD-CB 4.34Å; M13-V21 HydrophobicContact SD-CG2 3.86Å; L17-V21 WeakPolarHBondContact O-CG2 3.4Å; L17-V21 PolarHBondContact O-N 3.39Å; Q18-V21 PolarHBondContact O-N 3.44Å; V21-T24 PolarHBondContact O-N 2.86Å; V21-C25 WeakPolarHBondContact O-CB 3.25Å; V21-C25 PolarHBondContact O-N 2.88Å; V21-C25 PolarHBondContact O-SG 3.41Å; V21-M46 HydrophobicContact CG2-CE 3.59Å; V21-M46 HydrophobicContact CG2-SD 3.93Å; V21-W54 HydrophobicContact CG2-CH2 4.33Å; V21-W54 HydrophobicContact CG2-CZ3 4.22Å; V21-F76 HydrophobicContact CG1-CE1 4.2Å; V21-V85 HydrophobicContact CG1-CB 3.75Å; V21-V85 HydrophobicContact CG1-CG1 3.91Å; V21-V85 HydrophobicContact CG1-CG2 3.79Å
22V97.5Very high97.3Very high23 Ų2355.6 Ų55.614%0.13929%0.29CS..Hα-helixtrans-64.1-46.4179.2171.60000111.1A6 M8 Q18 K19 I20 T24 C25 V26 F76A6-V22 HydrophobicContact CB-CG1 3.7Å; M8-V22 HydrophobicContact CE-CG2 4.07Å; Q18-V22 WeakPolarHBondContact O-CG2 3.15Å; Q18-V22 PolarHBondContact O-N 2.83Å; K19-V22 PolarHBondContact O-N 3.11Å; I20-V22 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 2.79Å; V22-T24 PolarHBondContact O-N 3Å; V22-C25 WeakPolarHBondContact O-CB 3.5Å; V22-C25 PolarHBondContact O-N 3.47Å; V22-V26 HydrophobicContact CG1-CG2 4.48Å; V22-V26 WeakPolarHBondContact O-CG2 3.5Å; V22-V26 PolarHBondContact O-N 2.98Å; V22-F76 HydrophobicContact CG2-CD1 4.27Å; V22-F76 HydrophobicContact CG2-CE1 3.99Å; V22-F76 HydrophobicContact CG2-CE2 4.38Å; V22-F76 HydrophobicContact CG2-CZ 4.03Å
23D97.1Very high97.1Very high72 Ų7260 Ų6039%0.38531%0.314SS..Hα-helixtrans-62.9-43.1179.8-69.5-15.9000111.3K19 I20 C25 V26 V27K19-D23 IonicContact NZ-OD1 3.79Å; K19-D23 IonicContact NZ-OD2 2.6Å; K19-D23 PolarHBondContact NZ-OD2 2.67Å; K19-D23 WeakPolarHBondContact O-CB 3.37Å; K19-D23 VanDerWaalsContact O-CG 3.22Å; K19-D23 PolarHBondContact O-N 2.86Å; I20-D23 PolarHBondContact O-N 2.78Å; D23-C25 VanDerWaalsContact C-N 3.29Å; D23-C25 PolarHBondContact O-N 3.26Å; D23-V26 PolarHBondContact O-N 2.96Å; D23-V27 WeakPolarHBondContact O-CG2 3.38Å; D23-V27 PolarHBondContact O-N 3.31Å
24T98.1Very high97.1Very high10 Ų1065.6 Ų65.66%0.06134%0.34CS..Hα-helixtrans-60.1-40.2175-60.60000111.3I20 V21 V22 A28 Y41 V42 H45I20-T24 WeakPolarHBondContact O-CB 3.37Å; I20-T24 PolarHBondContact O-N 3.35Å; I20-T24 PolarHBondContact O-OG1 2.76Å; V21-T24 PolarHBondContact O-N 2.86Å; V22-T24 PolarHBondContact O-N 3Å; T24-A28 VanDerWaalsContact O-CB 3.31Å; T24-A28 WeakPolarHBondContact O-CB 3.46Å; T24-A28 PolarHBondContact O-N 3.44Å; T24-Y41 HydrophobicContact CG2-CD1 4.29Å; T24-Y41 HydrophobicContact CG2-CE1 3.98Å; T24-V42 HydrophobicContact CG2-CB 4.5Å; T24-V42 HydrophobicContact CG2-CG1 4.43Å; T24-V42 HydrophobicContact CG2-CG2 4.32Å; T24-H45 HydrophobicContact CG2-CB 3.73Å; T24-H45 PolarHBondContact OG1-CD2 3.4Å
25C97.5Very high97.1Very high0 Ų061.3 Ų61.30%032%0.32CS..Hα-helixtrans-65.4-42.7175.7-69.80000112.3V21 V22 D23 A28 T29 V42 F76 M83V21-C25 WeakPolarHBondContact O-CB 3.25Å; V21-C25 PolarHBondContact O-N 2.88Å; V21-C25 PolarHBondContact O-SG 3.41Å; V22-C25 WeakPolarHBondContact O-CB 3.5Å; V22-C25 PolarHBondContact O-N 3.47Å; D23-C25 VanDerWaalsContact C-N 3.29Å; D23-C25 PolarHBondContact O-N 3.26Å; C25-A28 PolarHBondContact O-N 3.25Å; C25-T29 WeakPolarHBondContact O-CG2 3.45Å; C25-T29 PolarHBondContact O-N 3.19Å; C25-T29 PolarHBondContact O-OG1 3.35Å; C25-V42 HydrophobicContact CB-CG2 4.36Å; C25-F76 HydrophobicContact CB-CE2 4.21Å; C25-F76 HydrophobicContact CB-CZ 3.78Å; C25-M83 HydrophobicContact CB-CE 3.55Å
26V95.9Very high97.2Very high29 Ų2967 Ų6718%0.17633%0.326CS..Hα-helixtrans-60.5-49.9176.6170.80000110.4V22 D23 A28 T29 E30 Y78V22-V26 HydrophobicContact CG1-CG2 4.48Å; V22-V26 WeakPolarHBondContact O-CG2 3.5Å; V22-V26 PolarHBondContact O-N 2.98Å; D23-V26 PolarHBondContact O-N 2.96Å; V26-A28 VanDerWaalsContact C-N 3.29Å; V26-A28 PolarHBondContact O-N 3.04Å; V26-T29 WeakPolarHBondContact CA-OG1 3.24Å; V26-T29 PolarHBondContact O-N 3.45Å; V26-T29 PolarHBondContact O-OG1 3.18Å; V26-E30 WeakPolarHBondContact O-CG 3.49Å; V26-E30 PolarHBondContact O-N 3.15Å; V26-E30 VanDerWaalsContact O-N 3.1Å; V26-Y78 HydrophobicContact CG2-CD2 4.2Å; V26-Y78 HydrophobicContact CG2-CE1 4.48Å; V26-Y78 HydrophobicContact CG2-CE2 3.71Å
27V96.7Very high97.2Very high50 Ų5065.3 Ų65.330%0.30331%0.312SS..Hα-helixtrans-58.2-43.7177.2170.60000111.1D23 T29 E30 Q31D23-V27 WeakPolarHBondContact O-CG2 3.38Å; D23-V27 PolarHBondContact O-N 3.31Å; V27-T29 VanDerWaalsContact C-N 3.35Å; V27-T29 PolarHBondContact O-N 3.24Å; V27-E30 PolarHBondContact O-N 2.88Å; V27-Q31 VanDerWaalsContact CG1-NE2 3.35Å; V27-Q31 WeakPolarHBondContact O-CG 3.42Å; V27-Q31 PolarHBondContact O-N 3.17Å
28A97.9Very high97.2Very high0 Ų064.3 Ų64.30%031%0.307CS..Hα-helixtrans-62.1-42.217900000111.9T24 C25 V26 E30 Q31 Y32 V38 Y41 V42T24-A28 VanDerWaalsContact O-CB 3.31Å; T24-A28 WeakPolarHBondContact O-CB 3.46Å; T24-A28 PolarHBondContact O-N 3.44Å; C25-A28 PolarHBondContact O-N 3.25Å; V26-A28 VanDerWaalsContact C-N 3.29Å; V26-A28 PolarHBondContact O-N 3.04Å; A28-E30 PolarHBondContact O-N 2.98Å; A28-Q31 PolarHBondContact O-N 3.35Å; A28-Q31 VanDerWaalsContact O-N 3.15Å; A28-Y32 WeakPolarHBondContact O-CD2 3.4Å; A28-Y32 PolarHBondContact O-N 3.35Å; A28-V38 HydrophobicContact CB-CB 4.49Å; A28-V38 HydrophobicContact CB-CG1 3.69Å; A28-Y41 HydrophobicContact CB-CD1 3.54Å; A28-Y41 HydrophobicContact CB-CE1 4.21Å; A28-Y41 HydrophobicContact CB-CG 4.14Å; A28-V42 HydrophobicContact CB-CG2 3.78Å
29T95.7Very high97.3Very high30 Ų3062.7 Ų62.718%0.18430%0.301CS..Hα-helixtrans-69.3-19.617753.40000114.2C25 V26 V27 V38 Y78C25-T29 WeakPolarHBondContact O-CG2 3.45Å; C25-T29 PolarHBondContact O-N 3.19Å; C25-T29 PolarHBondContact O-OG1 3.35Å; V26-T29 WeakPolarHBondContact CA-OG1 3.24Å; V26-T29 PolarHBondContact O-N 3.45Å; V26-T29 PolarHBondContact O-OG1 3.18Å; V27-T29 VanDerWaalsContact C-N 3.35Å; V27-T29 PolarHBondContact O-N 3.24Å; T29-V38 HydrophobicContact CG2-CG1 3.82Å; T29-Y78 HydrophobicContact CG2-CD1 4.15Å; T29-Y78 HydrophobicContact CG2-CE1 4.3Å; T29-Y78 WeakPolarHBondContact OG1-CE1 3.34Å
30E95.1Very high97.4Very high129 Ų12958.2 Ų58.260%0.60329%0.288SS*.Hα-helixtrans-84.5-20173.1-69.1175.5171.500112.2V26 V27 A28V26-E30 WeakPolarHBondContact O-CG 3.49Å; V26-E30 PolarHBondContact O-N 3.15Å; V26-E30 VanDerWaalsContact O-N 3.1Å; V27-E30 PolarHBondContact O-N 2.88Å; A28-E30 PolarHBondContact O-N 2.98Å
31Q97.1Very high97.4Very high109 Ų10959.1 Ų59.151%0.50929%0.289SS..Hα-helixtrans-100.2-26-176.3-71.4-178.99.500114.2V27 A28V27-Q31 VanDerWaalsContact CG1-NE2 3.35Å; V27-Q31 WeakPolarHBondContact O-CG 3.42Å; V27-Q31 PolarHBondContact O-N 3.17Å; A28-Q31 PolarHBondContact O-N 3.35Å; A28-Q31 VanDerWaalsContact O-N 3.15Å
32Y97.9Very high97.4Very high88 Ų8859.1 Ų59.135%0.34529%0.289SS..  trans-133.1135.6-173.2-54.2-79.6000111.4A28 D37 V38 Y41A28-Y32 WeakPolarHBondContact O-CD2 3.4Å; A28-Y32 PolarHBondContact O-N 3.35Å; Y32-D37 HydrophobicContact CD1-CB 4.05Å; Y32-D37 HydrophobicContact CG-CB 4.2Å; Y32-V38 WeakPolarHBondContact O-CG2 3.35Å; Y32-Y41 HydrophobicContact CD2-CG 4.5Å; Y32-Y41 AromaticContact CE2-CD2 3.49Å; Y32-Y41 HydrophobicContact CE2-CD2 3.49Å; Y32-Y41 VanDerWaalsContact CE2-CD2 3.49Å; Y32-Y41 HydrophobicContact CE2-CE2 4.28Å; Y32-Y41 AromaticContact CE2-CG 3.73Å; Y32-Y41 HydrophobicContact CE2-CG 3.73Å; Y32-Y41 AromaticContact CZ-CD2 3.96Å
33D95.5Very high97.5Very high155 Ų15561 Ų6183%0.82930%0.296SS*.SBendtrans-85-37.6176.1-65.1-47.9000112.4
34E97.3Very high97.6Very high129 Ų12964.5 Ų64.560%0.60331%0.308SS*.SBendtrans-76.5126.7-177.1-69.7-62.4149.600111.7R36 D37 V38E34-R36 PolarHBondContact O-N 2.87Å; E34-D37 HydrophobicContact CB-CB 4.2Å; E34-D37 PolarHBondContact O-N 3.08Å; E34-V38 PolarHBondContact O-N 2.69Å; E34-V38 VanDerWaalsContact O-N 3.08Å
35E97.5Very high97.6Very high65 Ų6567.2 Ų67.230%0.30432%0.32SS..Hα-helixtrans-57.6-38.3-175.7-67.6-176.9158.800112.8D37 V38 A39 L58 K81E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 2.97Å; E35-V38 PolarHBondContact O-N 3.17Å; E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.1Å; E35-L58 HydrophobicContact CB-CD2 4.2Å; E35-L58 HydrophobicContact CB-CG 4.28Å; E35-L58 HydrophobicContact CG-CD2 4.25Å; E35-L58 HydrophobicContact CG-CG 4.28Å; E35-K81 HydrophobicContact CG-CD 4.33Å; E35-K81 VanDerWaalsContact OE1-CD 3.31Å; E35-K81 WeakPolarHBondContact OE1-CD 3.32Å; E35-K81 WeakPolarHBondContact OE1-CE 3.46Å; E35-K81 IonicContact OE1-NZ 2.73Å; E35-K81 PolarHBondContact OE1-NZ 2.97Å
36R97.7Very high97.6Very high190 Ų19067.2 Ų67.272%0.71732%0.32SS*.Hα-helixtrans-61.9-39.2177-173.4-169.867.5-168-5111.6E34 A39 A40E34-R36 PolarHBondContact O-N 2.87Å; R36-A39 PolarHBondContact O-N 3.02Å; R36-A40 VanDerWaalsContact O-CB 3.26Å; R36-A40 WeakPolarHBondContact O-CB 3.34Å; R36-A40 PolarHBondContact O-N 2.81Å
37D98.5Very high97.7Very high54 Ų5468 Ų6829%0.28932%0.323SS..Hα-helixtrans-77.6-36.7-175-63.4-12.9000110.5Y32 E34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 4.05Å; Y32-D37 HydrophobicContact CG-CB 4.2Å; E34-D37 HydrophobicContact CB-CB 4.2Å; E34-D37 PolarHBondContact O-N 3.08Å; E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 2.97Å; D37-A40 PolarHBondContact O-N 3.18Å; D37-Y41 WeakPolarHBondContact O-CB 3.36Å; D37-Y41 PolarHBondContact O-N 2.93Å
38V98.5Very high97.8Very high3 Ų374.6 Ų74.62%0.01835%0.347CS..Hα-helixtrans-56.8-52.8167.5179.10000110.6A28 T29 Y32 E34 E35 A40 Y41 V42 L58 M83A28-V38 HydrophobicContact CB-CB 4.49Å; A28-V38 HydrophobicContact CB-CG1 3.69Å; T29-V38 HydrophobicContact CG2-CG1 3.82Å; Y32-V38 WeakPolarHBondContact O-CG2 3.35Å; E34-V38 PolarHBondContact O-N 2.69Å; E34-V38 VanDerWaalsContact O-N 3.08Å; E35-V38 PolarHBondContact O-N 3.17Å; V38-A40 VanDerWaalsContact C-N 3.32Å; V38-A40 PolarHBondContact O-N 3.19Å; V38-Y41 PolarHBondContact O-N 2.86Å; V38-V42 WeakPolarHBondContact O-CG2 3.31Å; V38-V42 PolarHBondContact O-N 3.14Å; V38-L58 HydrophobicContact CB-CD2 3.68Å; V38-L58 HydrophobicContact CG1-CD2 3.54Å; V38-L58 HydrophobicContact CG2-CD2 4.19Å; V38-M83 HydrophobicContact CG1-CE 4.18Å
39A98.6Very high97.8Very high13 Ų1381 Ų8111%0.10737%0.372CS..Hα-helixtrans-61.7-40.8-179.600000112.1E35 R36 Y41 V42 K43 C56 L58E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.1Å; R36-A39 PolarHBondContact O-N 3.02Å; A39-Y41 PolarHBondContact O-N 2.95Å; A39-V42 PolarHBondContact O-N 3.37Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.1Å; A39-C56 HydrophobicContact CB-CB 4.2Å; A39-C56 WeakPolarHBondContact O-CB 3.15Å; A39-L58 HydrophobicContact CB-CB 4.47Å
40A98.7Very high97.8Very high33 Ų3381.9 Ų81.927%0.27338%0.376SS..Hα-helixtrans-63.9-39176.800000112.3R36 D37 V38 K44R36-A40 VanDerWaalsContact O-CB 3.26Å; R36-A40 WeakPolarHBondContact O-CB 3.34Å; R36-A40 PolarHBondContact O-N 2.81Å; D37-A40 PolarHBondContact O-N 3.18Å; V38-A40 VanDerWaalsContact C-N 3.32Å; V38-A40 PolarHBondContact O-N 3.19Å; A40-K44 WeakPolarHBondContact O-CB 3.45Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.2Å; A40-K44 PolarHBondContact O-N 2.96Å; A40-K44 VanDerWaalsContact O-N 3.08Å
41Y98.8Very high97.9Very high59 Ų5977 Ų7723%0.23136%0.361CS..Hα-helixtrans-63.1-52175178.8-84.4000111.3T24 A28 Y32 D37 V38 A39 K43 K44 H45T24-Y41 HydrophobicContact CG2-CD1 4.29Å; T24-Y41 HydrophobicContact CG2-CE1 3.98Å; A28-Y41 HydrophobicContact CB-CD1 3.54Å; A28-Y41 HydrophobicContact CB-CE1 4.21Å; A28-Y41 HydrophobicContact CB-CG 4.14Å; Y32-Y41 HydrophobicContact CD2-CG 4.5Å; Y32-Y41 AromaticContact CE2-CD2 3.49Å; Y32-Y41 HydrophobicContact CE2-CD2 3.49Å; Y32-Y41 VanDerWaalsContact CE2-CD2 3.49Å; Y32-Y41 HydrophobicContact CE2-CE2 4.28Å; Y32-Y41 AromaticContact CE2-CG 3.73Å; Y32-Y41 HydrophobicContact CE2-CG 3.73Å; Y32-Y41 AromaticContact CZ-CD2 3.96Å; D37-Y41 WeakPolarHBondContact O-CB 3.36Å; D37-Y41 PolarHBondContact O-N 2.93Å; V38-Y41 PolarHBondContact O-N 2.86Å; A39-Y41 PolarHBondContact O-N 2.95Å; Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 3.43Å; Y41-K44 PolarHBondContact O-N 3.01Å; Y41-H45 HydrophobicContact CE1-CB 4.39Å; Y41-H45 WeakPolarHBondContact O-CB 3.41Å; Y41-H45 PolarHBondContact O-N 3.34Å
42V98.6Very high97.9Very high0 Ų073.6 Ų73.60%035%0.354CS..Hα-helixtrans-58.3-48.4-178.6174.80000110.3T24 C25 A28 V38 A39 K44 H45 M46 C56 V85T24-V42 HydrophobicContact CG2-CB 4.5Å; T24-V42 HydrophobicContact CG2-CG1 4.43Å; T24-V42 HydrophobicContact CG2-CG2 4.32Å; C25-V42 HydrophobicContact CB-CG2 4.36Å; A28-V42 HydrophobicContact CB-CG2 3.78Å; V38-V42 WeakPolarHBondContact O-CG2 3.31Å; V38-V42 PolarHBondContact O-N 3.14Å; A39-V42 PolarHBondContact O-N 3.37Å; V42-K44 PolarHBondContact O-N 3.19Å; V42-H45 PolarHBondContact O-N 2.97Å; V42-M46 HydrophobicContact CG1-CG 4.41Å; V42-M46 WeakPolarHBondContact O-CG 3.4Å; V42-M46 PolarHBondContact O-N 3.33Å; V42-C56 HydrophobicContact CB-CB 4.34Å; V42-C56 HydrophobicContact CG1-CB 4.33Å; V42-V85 HydrophobicContact CG1-CG1 4.16Å; V42-V85 HydrophobicContact CG1-CG2 4.08Å
43K98.6Very high97.9Very high62 Ų6271.6 Ų71.627%0.2735%0.351SS..Hα-helixtrans-53.4-56.5176-176.5-167.4-178.7-30.20111.6A39 Y41 H45 M46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.1Å; Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 3.43Å; K43-H45 VanDerWaalsContact C-N 3.28Å; K43-H45 PolarHBondContact O-N 2.97Å; K43-M46 PolarHBondContact O-N 3.23Å; K43-D47 IonicContact NZ-OD1 2.67Å; K43-D47 PolarHBondContact NZ-OD1 3.19Å; K43-D47 IonicContact NZ-OD2 3.06Å; K43-D47 PolarHBondContact NZ-OD2 3.1Å; K43-D47 WeakPolarHBondContact O-CB 3.33Å; K43-D47 VanDerWaalsContact O-CG 3.24Å; K43-D47 PolarHBondContact O-N 3.31Å; K43-W54 WeakPolarHBondContact CE-O 3.39Å; K43-W54 HydrophobicContact CG-CB 4.47Å; K43-W54 VanDerWaalsContact CG-O 3.24Å; K43-W54 WeakPolarHBondContact CG-O 3.44Å; K43-W54 PolarHBondContact NZ-O 3.16Å; K43-C56 HydrophobicContact CB-CB 4.31Å
44K98.6Very high98Very high147 Ų14764.2 Ų64.264%0.63931%0.311SS*.Hα-helixtrans-62.6-36.1-176.7-73.6172.9-178.3175.70112.3A40 Y41 V42 K48A40-K44 WeakPolarHBondContact O-CB 3.45Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.2Å; A40-K44 PolarHBondContact O-N 2.96Å; A40-K44 VanDerWaalsContact O-N 3.08Å; Y41-K44 PolarHBondContact O-N 3.01Å; V42-K44 PolarHBondContact O-N 3.19Å; K44-K48 WeakPolarHBondContact O-CB 3.41Å; K44-K48 PolarHBondContact O-N 3.2Å
45H98.6Very high98.1Very high67 Ų6761 Ų6131%0.3130%0.296SS..Hα-helixtrans-65.6-48.1176.9-172.499.8000110.8T24 Y41 V42 K43 K48 Y49T24-H45 HydrophobicContact CG2-CB 3.73Å; T24-H45 PolarHBondContact OG1-CD2 3.4Å; Y41-H45 HydrophobicContact CE1-CB 4.39Å; Y41-H45 WeakPolarHBondContact O-CB 3.41Å; Y41-H45 PolarHBondContact O-N 3.34Å; V42-H45 PolarHBondContact O-N 2.97Å; K43-H45 VanDerWaalsContact C-N 3.28Å; K43-H45 PolarHBondContact O-N 2.97Å; H45-K48 PolarHBondContact O-N 2.71Å; H45-Y49 WeakPolarHBondContact O-CB 3.43Å; H45-Y49 PolarHBondContact O-N 2.83Å
46M98.5Very high98.1Very high0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-68.6-39.7-179.4-65.2-52.7-58.500112.5L17 I20 V21 V42 K43 K48 Y49 D50 W54L17-M46 HydrophobicContact CD1-CE 3.75Å; I20-M46 HydrophobicContact CG2-SD 4.23Å; V21-M46 HydrophobicContact CG2-CE 3.59Å; V21-M46 HydrophobicContact CG2-SD 3.93Å; V42-M46 HydrophobicContact CG1-CG 4.41Å; V42-M46 WeakPolarHBondContact O-CG 3.4Å; V42-M46 PolarHBondContact O-N 3.33Å; K43-M46 PolarHBondContact O-N 3.23Å; M46-K48 PolarHBondContact O-N 3.5Å; M46-Y49 HydrophobicContact CE-CD1 4.31Å; M46-Y49 PolarHBondContact O-N 2.94Å; M46-D50 HydrophobicContact CE-CB 4.37Å; M46-D50 PolarHBondContact O-N 3.22Å; M46-W54 VanDerWaalsContact C-CD1 3.47Å; M46-W54 HydrophobicContact CB-CB 4.05Å; M46-W54 HydrophobicContact CB-CD2 3.47Å; M46-W54 VanDerWaalsContact CB-CD2 3.47Å; M46-W54 HydrophobicContact CB-CE3 3.92Å; M46-W54 HydrophobicContact CB-CG 3.51Å; M46-W54 HydrophobicContact CB-CZ2 4.44Å; M46-W54 HydrophobicContact CE-CH2 3.63Å; M46-W54 HydrophobicContact CE-CZ2 3.61Å; M46-W54 HydrophobicContact CE-CZ3 4.12Å; M46-W54 HydrophobicContact CG-CD2 4.27Å; M46-W54 HydrophobicContact CG-CE3 4.24Å; M46-W54 PolarHBondContact O-NE1 2.75Å
47D98.2Very high98.1Very high45 Ų4552.7 Ų52.724%0.24127%0.272CS..Hα-helixtrans-53-37.4170.9-73.1-15.2000111.4K43 G51 W54K43-D47 IonicContact NZ-OD1 2.67Å; K43-D47 PolarHBondContact NZ-OD1 3.19Å; K43-D47 IonicContact NZ-OD2 3.06Å; K43-D47 PolarHBondContact NZ-OD2 3.1Å; K43-D47 WeakPolarHBondContact O-CB 3.33Å; K43-D47 VanDerWaalsContact O-CG 3.24Å; K43-D47 PolarHBondContact O-N 3.31Å; D47-G51 WeakPolarHBondContact O-CA 3.45Å; D47-G51 PolarHBondContact O-N 2.96Å; D47-W54 WeakPolarHBondContact OD1-CA 3.43Å; D47-W54 VanDerWaalsContact OD1-CB 3.28Å; D47-W54 WeakPolarHBondContact OD1-CB 3.39Å; D47-W54 PolarHBondContact OD1-N 3.39Å
48K98Very high98.1Very high189 Ų18951.1 Ų51.182%0.82226%0.263SS*.Hα-helixtrans-83.5-38.6179.7-174.7178.5178.1-177.50113.2K44 H45 M46K44-K48 WeakPolarHBondContact O-CB 3.41Å; K44-K48 PolarHBondContact O-N 3.2Å; H45-K48 PolarHBondContact O-N 2.71Å; M46-K48 PolarHBondContact O-N 3.5Å
49Y97.8Very high98.1Very high134 Ų13451.3 Ų51.353%0.52527%0.265SS..Hα-helixtrans-75.3-51.2-174175.3-94000112.2I20 H45 M46I20-Y49 HydrophobicContact CD1-CE1 3.58Å; I20-Y49 HydrophobicContact CD1-CE2 4.35Å; I20-Y49 VanDerWaalsContact CD1-CZ 3.44Å; I20-Y49 WeakPolarHBondContact CD1-OH 3.36Å; I20-Y49 HydrophobicContact CG2-CD1 4.12Å; I20-Y49 HydrophobicContact CG2-CE1 4.08Å; H45-Y49 WeakPolarHBondContact O-CB 3.43Å; H45-Y49 PolarHBondContact O-N 2.83Å; M46-Y49 HydrophobicContact CE-CD1 4.31Å; M46-Y49 PolarHBondContact O-N 2.94Å
50D96.6Very high97.9Very high49 Ų4958.9 Ų58.926%0.26230%0.296SS..THydrogen-bonded Turntrans-104-10.1-174.7-173.374.5000112.4M46 W54 Y72 R87M46-D50 HydrophobicContact CE-CB 4.37Å; M46-D50 PolarHBondContact O-N 3.22Å; D50-W54 HydrophobicContact CB-CZ2 3.85Å; D50-W54 WeakPolarHBondContact OD2-CZ2 3.28Å; D50-Y72 VanDerWaalsContact OD2-CE1 3.22Å; D50-Y72 WeakPolarHBondContact OD2-CE1 3.32Å; D50-R87 PolarHBondContact O-NH1 3.5Å; D50-R87 VanDerWaalsContact O-NH1 3.1Å; D50-R87 IonicContact OD2-CZ 3.35Å; D50-R87 IonicContact OD2-NH1 3.71Å; D50-R87 PolarHBondContact OD2-NH1 3.06Å
51G96.1Very high97.7Very high27 Ų2764.8 Ų64.828%0.27832%0.323SS..  trans76.4-179.5-17300000112.6D47 W54 R87D47-G51 WeakPolarHBondContact O-CA 3.45Å; D47-G51 PolarHBondContact O-N 2.96Å; G51-W54 VanDerWaalsContact O-CD1 3.29Å; G51-W54 PolarHBondContact O-NE1 2.87Å; G51-R87 PolarHBondContact O-NH1 2.94Å
52G96.3Very high97.6Very high36 Ų3665.2 Ų65.237%0.37133%0.326SS..SBendtrans77.7-161.4175.500000114.6Q89G52-Q89 VanDerWaalsContact CA-O 3.22Å; G52-Q89 WeakPolarHBondContact CA-O 3.45Å
53V97.9Very high97.4Very high46 Ų4669 Ų6928%0.27937%0.365SS..  trans-113.3100-178-1750000109.9R87 T88 Q89V53-R87 WeakPolarHBondContact O-CA 3.46Å; V53-T88 PolarHBondContact O-N 3.45Å; V53-T88 PolarHBondContact O-OG1 3.32Å; V53-Q89 HydrophobicContact CB-CB 4.2Å; V53-Q89 HydrophobicContact CG2-CB 4.07Å; V53-Q89 HydrophobicContact CG2-CG 4.39Å; V53-Q89 PolarHBondContact N-O 3.46Å
54W98.5Very high97.2Very high0 Ų069.2 Ų69.20%037%0.374CS..EExtended strand (participates in β ladder)trans-88.5155.3173.3-68.878.1000111.7M13 L17 V21 K43 M46 D47 D50 G51 Y72 V85 F86 R87M13-W54 HydrophobicContact CE-CH2 3.89Å; M13-W54 HydrophobicContact CE-CZ3 3.59Å; L17-W54 HydrophobicContact CD1-CH2 4.31Å; L17-W54 HydrophobicContact CD1-CZ2 4.49Å; L17-W54 HydrophobicContact CD2-CH2 4.23Å; V21-W54 HydrophobicContact CG2-CH2 4.33Å; V21-W54 HydrophobicContact CG2-CZ3 4.22Å; K43-W54 WeakPolarHBondContact CE-O 3.39Å; K43-W54 HydrophobicContact CG-CB 4.47Å; K43-W54 VanDerWaalsContact CG-O 3.24Å; K43-W54 WeakPolarHBondContact CG-O 3.44Å; K43-W54 PolarHBondContact NZ-O 3.16Å; M46-W54 VanDerWaalsContact C-CD1 3.47Å; M46-W54 HydrophobicContact CB-CB 4.05Å; M46-W54 HydrophobicContact CB-CD2 3.47Å; M46-W54 VanDerWaalsContact CB-CD2 3.47Å; M46-W54 HydrophobicContact CB-CE3 3.92Å; M46-W54 HydrophobicContact CB-CG 3.51Å; M46-W54 HydrophobicContact CB-CZ2 4.44Å; M46-W54 HydrophobicContact CE-CH2 3.63Å; M46-W54 HydrophobicContact CE-CZ2 3.61Å; M46-W54 HydrophobicContact CE-CZ3 4.12Å; M46-W54 HydrophobicContact CG-CD2 4.27Å; M46-W54 HydrophobicContact CG-CE3 4.24Å; M46-W54 PolarHBondContact O-NE1 2.75Å; D47-W54 WeakPolarHBondContact OD1-CA 3.43Å; D47-W54 VanDerWaalsContact OD1-CB 3.28Å; D47-W54 WeakPolarHBondContact OD1-CB 3.39Å; D47-W54 PolarHBondContact OD1-N 3.39Å; D50-W54 HydrophobicContact CB-CZ2 3.85Å; D50-W54 WeakPolarHBondContact OD2-CZ2 3.28Å; G51-W54 VanDerWaalsContact O-CD1 3.29Å; G51-W54 PolarHBondContact O-NE1 2.87Å; W54-Y72 AromaticContact CH2-CD1 3.97Å; W54-Y72 HydrophobicContact CH2-CD1 3.97Å; W54-Y72 AromaticContact CZ2-CD1 3.86Å; W54-Y72 HydrophobicContact CZ2-CD1 3.86Å; W54-Y72 HydrophobicContact CZ2-CE1 4.48Å; W54-V85 HydrophobicContact CE3-CG1 3.72Å; W54-V85 HydrophobicContact CZ3-CG1 3.87Å; W54-F86 CarbonylContact C-O 3.52Å; W54-F86 WeakPolarHBondContact CA-O 3.22Å; W54-R87 HydrophobicContact CD2-CB 4.02Å; W54-R87 HydrophobicContact CD2-CG 4.34Å; W54-R87 HydrophobicContact CE3-CB 4.25Å; W54-R87 HydrophobicContact CG-CB 4.47Å; W54-R87 HydrophobicContact CG-CG 4.43Å; W54-R87 HydrophobicContact CZ2-CB 4.33Å
55H98.6Very high97.1Very high62 Ų6273.3 Ų73.329%0.28739%0.387SS..EExtended strand (participates in β ladder)trans-133.2142.9175.4-57.5-91.6000108.1V85 F86 T88H55-V85 WeakPolarHBondContact O-CA 3.42Å; H55-F86 HydrophobicContact CB-CD1 4.02Å; H55-F86 HydrophobicContact CB-CD2 4.24Å; H55-F86 HydrophobicContact CB-CE1 3.6Å; H55-F86 HydrophobicContact CB-CE2 3.83Å; H55-F86 HydrophobicContact CB-CG 4.34Å; H55-F86 HydrophobicContact CB-CZ 3.49Å; H55-F86 VanDerWaalsContact CB-CZ 3.49Å; H55-F86 AromaticContact CD2-CE2 3.72Å; H55-F86 AromaticContact CG-CE2 3.87Å; H55-F86 AromaticContact CG-CZ 3.87Å; H55-F86 PolarHBondContact N-O 2.89Å; H55-F86 PolarHBondContact O-N 2.8Å; H55-T88 VanDerWaalsContact CD2-CG2 3.5Å; H55-T88 WeakPolarHBondContact CD2-CG2 3.16Å; H55-T88 WeakPolarHBondContact NE2-CG2 3.42Å; H55-T88 PolarHBondContact NE2-OG1 2.92Å
56C98.4Very high97Very high21 Ų2172.7 Ų72.714%0.14239%0.387CS..EExtended strand (participates in β ladder)trans-137.6132.1179-172.60000109A39 V42 K43 M83 I84A39-C56 HydrophobicContact CB-CB 4.2Å; A39-C56 WeakPolarHBondContact O-CB 3.15Å; V42-C56 HydrophobicContact CB-CB 4.34Å; V42-C56 HydrophobicContact CG1-CB 4.33Å; K43-C56 HydrophobicContact CB-CB 4.31Å; C56-M83 VanDerWaalsContact SG-SD 3.61Å; C56-I84 CarbonylContact C-O 3.55Å; C56-I84 VanDerWaalsContact CA-O 3.32Å; C56-I84 WeakPolarHBondContact CA-O 3.24Å
57V98.3Very high96.9Very high59 Ų5977.7 Ų77.736%0.35842%0.422SS..EExtended strand (participates in β ladder)trans-125.1129.5175.6-175.50000107.8F62 M83 I84V57-F62 HydrophobicContact CG1-CD2 4.3Å; V57-F62 HydrophobicContact CG1-CE1 4.43Å; V57-F62 HydrophobicContact CG1-CE2 4.02Å; V57-F62 HydrophobicContact CG1-CZ 4.09Å; V57-M83 CarbonylContact O-C 3.6Å; V57-M83 WeakPolarHBondContact O-CA 3.36Å; V57-I84 HydrophobicContact CB-CB 4.37Å; V57-I84 PolarHBondContact N-O 2.84Å; V57-I84 PolarHBondContact O-N 3.04Å
58L98.3Very high96.9Very high22 Ų2278.6 Ų78.612%0.11543%0.425CS..EExtended strand (participates in β ladder)trans-129.9135175.8179.461.1000108.8E35 V38 A39 K81 S82 M83E35-L58 HydrophobicContact CB-CD2 4.2Å; E35-L58 HydrophobicContact CB-CG 4.28Å; E35-L58 HydrophobicContact CG-CD2 4.25Å; E35-L58 HydrophobicContact CG-CG 4.28Å; V38-L58 HydrophobicContact CB-CD2 3.68Å; V38-L58 HydrophobicContact CG1-CD2 3.54Å; V38-L58 HydrophobicContact CG2-CD2 4.19Å; A39-L58 HydrophobicContact CB-CB 4.47Å; L58-K81 HydrophobicContact CD1-CB 3.63Å; L58-K81 HydrophobicContact CD1-CD 4.1Å; L58-K81 HydrophobicContact CD2-CD 4.41Å; L58-K81 HydrophobicContact CG-CD 4.26Å; L58-S82 WeakPolarHBondContact CA-O 3.49Å; L58-S82 WeakPolarHBondContact CD1-O 3.38Å; L58-M83 HydrophobicContact CB-SD 4.03Å; L58-M83 HydrophobicContact CD1-CB 4.42Å; L58-M83 HydrophobicContact CD1-CE 3.84Å; L58-M83 HydrophobicContact CD1-SD 3.93Å; L58-M83 HydrophobicContact CD2-CE 4.24Å; L58-M83 HydrophobicContact CG-CE 4.49Å; L58-M83 HydrophobicContact CG-SD 4.42Å
59G97.5Very high96.9Very high6 Ų672.7 Ų72.76%0.06240%0.402CS..EExtended strand (participates in β ladder)trans-179.9168.3174.800000112.6F62 S82G59-F62 WeakPolarHBondContact O-CE1 3.47Å; G59-S82 PolarHBondContact N-O 3.21Å; G59-S82 VanDerWaalsContact N-O 3.11Å; G59-S82 PolarHBondContact O-N 2.85Å
60K95.9Very high96.9Very high173 Ų17373.3 Ų73.375%0.75241%0.414SS*.SBendtrans-82-38.8177.6-170.2179.8176.8-178.20112.9
61D93.5Very high97Very high157 Ų15772.1 Ų72.184%0.8441%0.413SS*.SBendtrans-144.5116-175.2-164.9-5.8000109.9
62F96.5Very high97.1Very high68 Ų6874.1 Ų74.130%0.29841%0.413SS..  trans-163.6154.1177.459.8-91.6000110.5V57 G59 S82 I84V57-F62 HydrophobicContact CG1-CD2 4.3Å; V57-F62 HydrophobicContact CG1-CE1 4.43Å; V57-F62 HydrophobicContact CG1-CE2 4.02Å; V57-F62 HydrophobicContact CG1-CZ 4.09Å; G59-F62 WeakPolarHBondContact O-CE1 3.47Å; F62-S82 WeakPolarHBondContact CE1-O 3.42Å; F62-I84 HydrophobicContact CE2-CD1 3.59Å; F62-I84 HydrophobicContact CE2-CG1 4Å; F62-I84 HydrophobicContact CZ-CD1 4.19Å; F62-I84 HydrophobicContact CZ-CG1 4.09Å
63G95.2Very high97.2Very high78 Ų7873.5 Ų73.580%0.80440%0.4SS*.  trans-106.5149.3164.700000110.6
64C94Very high97.2Very high68 Ų6871.3 Ų71.346%0.45939%0.387SS..  trans-141.8150.8174.770.30000111.6V66 I84C64-V66 HydrophobicContact CB-CG1 4.42Å; C64-I84 HydrophobicContact CB-CD1 4.29Å; C64-I84 WeakPolarHBondContact SG-CD1 3.19Å
65Y96.2Very high97.2Very high233 Ų23374.4 Ų74.491%0.91440%0.399SS*.  trans-141106.4167.9-159.1-87.1000107.2
66V96.6Very high97.2Very high53 Ų5371.5 Ų71.532%0.32139%0.385SS..  trans-131.6149.8-168.4-60.80000111C64 F73 F86C64-V66 HydrophobicContact CB-CG1 4.42Å; V66-F73 HydrophobicContact CG2-CE2 4.14Å; V66-F86 HydrophobicContact CB-CE1 4.42Å; V66-F86 HydrophobicContact CB-CE2 4.17Å; V66-F86 HydrophobicContact CB-CZ 3.96Å; V66-F86 HydrophobicContact CG1-CE1 4.22Å; V66-F86 HydrophobicContact CG1-CZ 3.88Å; V66-F86 HydrophobicContact CG2-CD1 4.42Å; V66-F86 HydrophobicContact CG2-CE1 4.23Å; V66-F86 HydrophobicContact CG2-CE2 4.39Å; V66-F86 HydrophobicContact CG2-CZ 4.21Å
67S97.4Very high97.1Very high105 Ų10573.5 Ų73.573%0.73439%0.393SS*.  trans-99.8142.1166.4-57.40000109.4
68H97.9Very high96.9Very high65 Ų6571.1 Ų71.130%0.30138%0.378SS..  trans-144.6164.7-178.451.9-91.5000110D12 F73 F86 R87D12-H68 IonicContact OD2-CD2 3.81Å; D12-H68 IonicContact OD2-NE2 3.77Å; H68-F73 HydrophobicContact CB-CB 4.38Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CE1-CD2 3.6Å; H68-F73 AromaticContact CE1-CG 3.61Å; H68-F73 AromaticContact CG-CD2 3.95Å; H68-F73 AromaticContact ND1-CD2 3.49Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.34Å; H68-F73 AromaticContact ND1-CG 3.87Å; H68-F73 VanDerWaalsContact NE2-CB 3.32Å; H68-F73 WeakPolarHBondContact NE2-CB 3.4Å; H68-F73 AromaticContact NE2-CG 3.69Å; H68-F86 HydrophobicContact CB-CB 3.92Å; H68-F86 HydrophobicContact CB-CD2 3.88Å; H68-F86 HydrophobicContact CB-CG 4.28Å; H68-R87 CarbonylContact C-O 3.52Å; H68-R87 WeakPolarHBondContact CA-O 3.34Å
69L98.1Very high96.7Very high64 Ų6475 Ų7534%0.33540%0.395SS..  trans-72.9139.1169.8-64.2179.5000110.5G71 Y72 R87L69-G71 PolarHBondContact O-N 2.81Å; L69-Y72 HydrophobicContact CB-CD2 3.86Å; L69-Y72 HydrophobicContact CB-CG 4.48Å; L69-Y72 PolarHBondContact O-N 3.45Å; L69-Y72 VanDerWaalsContact O-N 3.16Å; L69-R87 HydrophobicContact CD1-CG 4.23Å; L69-R87 PolarHBondContact N-O 3.18Å
70D97.9Very high96.5Very high148 Ų14877.7 Ų77.779%0.79142%0.423SS*.THydrogen-bonded Turntrans-55.8129.9176.4-69-9.3000111.3Y72D70-Y72 VanDerWaalsContact O-CD2 3.23Å; D70-Y72 WeakPolarHBondContact O-CD2 3.26Å
71G98Very high96.4Very high23 Ų2372.6 Ų72.624%0.23740%0.4CS..THydrogen-bonded Turntrans84.18.6179.400000114.5D12 M13 L69D12-G71 VanDerWaalsContact CG-N 3.26Å; D12-G71 PolarHBondContact OD2-N 2.73Å; M13-G71 WeakPolarHBondContact CA-O 3.39Å; M13-G71 WeakPolarHBondContact CG-O 3.4Å; L69-G71 PolarHBondContact O-N 2.81Å
72Y98.5Very high96.6Very high70 Ų7065.6 Ų65.628%0.27536%0.364SS..  trans-128.426.3-176.8-64.4-87.8000113.6D12 M13 L17 D50 W54 L69 D70 F86 R87D12-Y72 PolarHBondContact OD1-N 2.97Å; M13-Y72 VanDerWaalsContact CE-O 3.29Å; M13-Y72 WeakPolarHBondContact CE-O 3.49Å; L17-Y72 HydrophobicContact CD2-CD1 3.71Å; L17-Y72 HydrophobicContact CD2-CE1 3.83Å; D50-Y72 VanDerWaalsContact OD2-CE1 3.22Å; D50-Y72 WeakPolarHBondContact OD2-CE1 3.32Å; W54-Y72 AromaticContact CH2-CD1 3.97Å; W54-Y72 HydrophobicContact CH2-CD1 3.97Å; W54-Y72 AromaticContact CZ2-CD1 3.86Å; W54-Y72 HydrophobicContact CZ2-CD1 3.86Å; W54-Y72 HydrophobicContact CZ2-CE1 4.48Å; L69-Y72 HydrophobicContact CB-CD2 3.86Å; L69-Y72 HydrophobicContact CB-CG 4.48Å; L69-Y72 PolarHBondContact O-N 3.45Å; L69-Y72 VanDerWaalsContact O-N 3.16Å; D70-Y72 VanDerWaalsContact O-CD2 3.23Å; D70-Y72 WeakPolarHBondContact O-CD2 3.26Å; Y72-F86 WeakPolarHBondContact O-CA 3.29Å; Y72-R87 HydrophobicContact CD1-CB 4.28Å; Y72-R87 HydrophobicContact CG-CB 4.09Å; Y72-R87 PolarHBondContact O-N 2.73Å
73F98.6Very high96.7Very high22 Ų2262.4 Ų62.410%0.09635%0.35CS..EExtended strand (participates in β ladder)trans-120.2135.7176174.6-83.9000112.7T11 D12 V66 H68 I84 F86T11-F73 VanDerWaalsContact CA-O 3.29Å; T11-F73 WeakPolarHBondContact CA-O 3.05Å; T11-F73 PolarHBondContact OG1-O 3.35Å; D12-F73 PolarHBondContact N-O 3.43Å; D12-F73 WeakPolarHBondContact OD1-CA 3.48Å; D12-F73 WeakPolarHBondContact OD1-CB 3.38Å; D12-F73 PolarHBondContact OD1-N 3.06Å; V66-F73 HydrophobicContact CG2-CE2 4.14Å; H68-F73 HydrophobicContact CB-CB 4.38Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CE1-CD2 3.6Å; H68-F73 AromaticContact CE1-CG 3.61Å; H68-F73 AromaticContact CG-CD2 3.95Å; H68-F73 AromaticContact ND1-CD2 3.49Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.34Å; H68-F73 AromaticContact ND1-CG 3.87Å; H68-F73 VanDerWaalsContact NE2-CB 3.32Å; H68-F73 WeakPolarHBondContact NE2-CB 3.4Å; H68-F73 AromaticContact NE2-CG 3.69Å; F73-I84 HydrophobicContact CD2-CG2 4.35Å; F73-I84 HydrophobicContact CE2-CG2 3.57Å; F73-I84 HydrophobicContact CZ-CG2 4.06Å; F73-F86 HydrophobicContact CB-CB 4.32Å; F73-F86 HydrophobicContact CD2-CB 3.78Å; F73-F86 HydrophobicContact CD2-CG 4.43Å; F73-F86 HydrophobicContact CG-CB 4.49Å
74S98.3Very high96.8Very high0 Ų058.9 Ų58.90%031%0.313CS..EExtended strand (participates in β ladder)trans-144.3132.6173.9-175.30000110.9I84 V85S74-I84 WeakPolarHBondContact O-CA 3.35Å; S74-V85 PolarHBondContact N-O 3.21Å; S74-V85 PolarHBondContact O-N 3.15Å
75Y98.1Very high97Very high66 Ų6655.7 Ų55.726%0.25929%0.291SS..EExtended strand (participates in β ladder)trans-126.6121.5173168.6-143.7000109.2K9 S10 S82 M83 I84K9-Y75 WeakPolarHBondContact CA-O 3.45Å; K9-Y75 HydrophobicContact CB-CD1 3.41Å; K9-Y75 VanDerWaalsContact CB-CD1 3.41Å; K9-Y75 HydrophobicContact CB-CD2 4.41Å; K9-Y75 HydrophobicContact CB-CE1 3.47Å; K9-Y75 VanDerWaalsContact CB-CE1 3.47Å; K9-Y75 HydrophobicContact CB-CE2 4.42Å; K9-Y75 HydrophobicContact CB-CG 3.91Å; K9-Y75 WeakPolarHBondContact CB-O 3.23Å; K9-Y75 HydrophobicContact CG-CD1 4.17Å; K9-Y75 HydrophobicContact CG-CE1 3.81Å; K9-Y75 HydrophobicContact CG-CE2 4.2Å; K9-Y75 PolarHBondContact N-O 3.02Å; S10-Y75 PolarHBondContact N-O 3.39Å; S10-Y75 PolarHBondContact O-N 2.95Å; Y75-S82 PolarHBondContact OH-OG 3.32Å; Y75-M83 WeakPolarHBondContact CA-O 3.38Å; Y75-M83 WeakPolarHBondContact CD2-O 3.11Å; Y75-I84 HydrophobicContact CD2-CD1 4.34Å; Y75-I84 HydrophobicContact CD2-CG1 3.73Å; Y75-I84 HydrophobicContact CE2-CG1 4.48Å; Y75-I84 HydrophobicContact CG-CD1 4.47Å; Y75-I84 HydrophobicContact CG-CG1 4.12Å
76F97.4Very high97.2Very high0 Ų045.3 Ų45.30%025%0.251CS..EExtended strand (participates in β ladder)trans-148.116517859.4-87.4000112A6 L7 M8 V21 V22 C25 M83A6-F76 HydrophobicContact CB-CD2 3.69Å; A6-F76 HydrophobicContact CB-CE2 4.15Å; A6-F76 HydrophobicContact CB-CG 4.39Å; L7-F76 CarbonylContact O-C 3.53Å; L7-F76 VanDerWaalsContact O-CA 3.3Å; L7-F76 WeakPolarHBondContact O-CA 3.29Å; L7-F76 WeakPolarHBondContact O-CB 3.41Å; M8-F76 HydrophobicContact CE-CB 3.84Å; M8-F76 HydrophobicContact CE-CD1 4.02Å; M8-F76 HydrophobicContact CE-CG 4.16Å; M8-F76 HydrophobicContact SD-CB 4.02Å; V21-F76 HydrophobicContact CG1-CE1 4.2Å; V22-F76 HydrophobicContact CG2-CD1 4.27Å; V22-F76 HydrophobicContact CG2-CE1 3.99Å; V22-F76 HydrophobicContact CG2-CE2 4.38Å; V22-F76 HydrophobicContact CG2-CZ 4.03Å; C25-F76 HydrophobicContact CB-CE2 4.21Å; C25-F76 HydrophobicContact CB-CZ 3.78Å; F76-M83 HydrophobicContact CD2-CB 4.18Å; F76-M83 HydrophobicContact CE1-CB 4.2Å; F76-M83 HydrophobicContact CE1-CG 4.04Å; F76-M83 HydrophobicContact CE2-CB 3.85Å; F76-M83 HydrophobicContact CE2-CG 4.12Å; F76-M83 HydrophobicContact CZ-CB 3.87Å; F76-M83 HydrophobicContact CZ-CG 3.68Å; F76-M83 PolarHBondContact N-O 2.89Å; F76-M83 PolarHBondContact O-N 3.29Å
77Q96.6Very high97.2Very high64 Ų6444.4 Ų44.430%0.29924%0.242SC..EExtended strand (participates in β ladder)trans-105.8139.1173.6-69.5179.9-35.800110.8A6 L7 K9 K81A6-Q77 CarbonylContact C-O 3.57Å; A6-Q77 WeakPolarHBondContact CA-O 3.3Å; L7-Q77 HydrophobicContact CB-CB 4.3Å; L7-Q77 PolarHBondContact N-O 3.49Å; L7-Q77 PolarHBondContact O-N 3.39Å; K9-Q77 HydrophobicContact CG-CG 4.36Å; K9-Q77 VanDerWaalsContact NZ-OE1 3.07Å; Q77-K81 CarbonylContact C-O 3.54Å; Q77-K81 VanDerWaalsContact CA-O 3.24Å; Q77-K81 WeakPolarHBondContact CA-O 3.22Å
78Y95.4Very high97.2Very high9 Ų941.7 Ų41.74%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-143.8128.9175.2-176.8-100.6000109.8A6 V26 T29 G80 K81A6-Y78 HydrophobicContact CB-CD2 4.41Å; V26-Y78 HydrophobicContact CG2-CD2 4.2Å; V26-Y78 HydrophobicContact CG2-CE1 4.48Å; V26-Y78 HydrophobicContact CG2-CE2 3.71Å; T29-Y78 HydrophobicContact CG2-CD1 4.15Å; T29-Y78 HydrophobicContact CG2-CE1 4.3Å; T29-Y78 WeakPolarHBondContact OG1-CE1 3.34Å; Y78-G80 PolarHBondContact O-N 3.48Å; Y78-G80 VanDerWaalsContact O-N 3.14Å; Y78-K81 PolarHBondContact N-O 2.6Å; Y78-K81 PolarHBondContact O-N 3.39Å
79Q92.8Very high96.7Very high104 Ų10446.1 Ų46.149%0.48624%0.241SC..THydrogen-bonded Turntrans47.641.2-178.5-63.8-175.613.800114.5K81Q79-K81 VanDerWaalsContact C-N 3.26Å; Q79-K81 PolarHBondContact O-N 3.44Å
80G92.7Very high96.6Very high62 Ų6245.2 Ų45.264%0.63924%0.236SC*.THydrogen-bonded Turntrans76.65.3178.700000115.3Y78Y78-G80 PolarHBondContact O-N 3.48Å; Y78-G80 VanDerWaalsContact O-N 3.14Å
81K95.4Very high96.5Very high65 Ų6539.8 Ų39.828%0.28321%0.207SC..EExtended strand (participates in β ladder)trans-109.2148.5171.9-59.8-176.7-179.6-169.40110.8E35 L58 Q77 Y78 Q79E35-K81 HydrophobicContact CG-CD 4.33Å; E35-K81 VanDerWaalsContact OE1-CD 3.31Å; E35-K81 WeakPolarHBondContact OE1-CD 3.32Å; E35-K81 WeakPolarHBondContact OE1-CE 3.46Å; E35-K81 IonicContact OE1-NZ 2.73Å; E35-K81 PolarHBondContact OE1-NZ 2.97Å; L58-K81 HydrophobicContact CD1-CB 3.63Å; L58-K81 HydrophobicContact CD1-CD 4.1Å; L58-K81 HydrophobicContact CD2-CD 4.41Å; L58-K81 HydrophobicContact CG-CD 4.26Å; Q77-K81 CarbonylContact C-O 3.54Å; Q77-K81 VanDerWaalsContact CA-O 3.24Å; Q77-K81 WeakPolarHBondContact CA-O 3.22Å; Y78-K81 PolarHBondContact N-O 2.6Å; Y78-K81 PolarHBondContact O-N 3.39Å; Q79-K81 VanDerWaalsContact C-N 3.26Å; Q79-K81 PolarHBondContact O-N 3.44Å
82S97.1Very high96.5Very high11 Ų1140.7 Ų40.78%0.07721%0.206CC..EExtended strand (participates in β ladder)trans-92.3129.9173-75.30000109.7L58 G59 F62 Y75L58-S82 WeakPolarHBondContact CA-O 3.49Å; L58-S82 WeakPolarHBondContact CD1-O 3.38Å; G59-S82 PolarHBondContact N-O 3.21Å; G59-S82 VanDerWaalsContact N-O 3.11Å; G59-S82 PolarHBondContact O-N 2.85Å; F62-S82 WeakPolarHBondContact CE1-O 3.42Å; Y75-S82 PolarHBondContact OH-OG 3.32Å
83M97.9Very high96.3Very high1 Ų139 Ų391%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-116.9125.4178.5-172.381.376.600109.3C25 V38 C56 V57 L58 Y75 F76 V85C25-M83 HydrophobicContact CB-CE 3.55Å; V38-M83 HydrophobicContact CG1-CE 4.18Å; C56-M83 VanDerWaalsContact SG-SD 3.61Å; V57-M83 CarbonylContact O-C 3.6Å; V57-M83 WeakPolarHBondContact O-CA 3.36Å; L58-M83 HydrophobicContact CB-SD 4.03Å; L58-M83 HydrophobicContact CD1-CB 4.42Å; L58-M83 HydrophobicContact CD1-CE 3.84Å; L58-M83 HydrophobicContact CD1-SD 3.93Å; L58-M83 HydrophobicContact CD2-CE 4.24Å; L58-M83 HydrophobicContact CG-CE 4.49Å; L58-M83 HydrophobicContact CG-SD 4.42Å; Y75-M83 WeakPolarHBondContact CA-O 3.38Å; Y75-M83 WeakPolarHBondContact CD2-O 3.11Å; F76-M83 HydrophobicContact CD2-CB 4.18Å; F76-M83 HydrophobicContact CE1-CB 4.2Å; F76-M83 HydrophobicContact CE1-CG 4.04Å; F76-M83 HydrophobicContact CE2-CB 3.85Å; F76-M83 HydrophobicContact CE2-CG 4.12Å; F76-M83 HydrophobicContact CZ-CB 3.87Å; F76-M83 HydrophobicContact CZ-CG 3.68Å; F76-M83 PolarHBondContact N-O 2.89Å; F76-M83 PolarHBondContact O-N 3.29Å; M83-V85 HydrophobicContact CG-CG2 3.79Å; M83-V85 HydrophobicContact SD-CG2 4.49Å
84I98.5Very high96.2Very high4 Ų440.1 Ų40.12%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-118.4125.8169.7-56.2-171.4000108.5C56 V57 F62 C64 F73 S74 Y75 F86C56-I84 CarbonylContact C-O 3.55Å; C56-I84 VanDerWaalsContact CA-O 3.32Å; C56-I84 WeakPolarHBondContact CA-O 3.24Å; V57-I84 HydrophobicContact CB-CB 4.37Å; V57-I84 PolarHBondContact N-O 2.84Å; V57-I84 PolarHBondContact O-N 3.04Å; F62-I84 HydrophobicContact CE2-CD1 3.59Å; F62-I84 HydrophobicContact CE2-CG1 4Å; F62-I84 HydrophobicContact CZ-CD1 4.19Å; F62-I84 HydrophobicContact CZ-CG1 4.09Å; C64-I84 HydrophobicContact CB-CD1 4.29Å; C64-I84 WeakPolarHBondContact SG-CD1 3.19Å; F73-I84 HydrophobicContact CD2-CG2 4.35Å; F73-I84 HydrophobicContact CE2-CG2 3.57Å; F73-I84 HydrophobicContact CZ-CG2 4.06Å; S74-I84 WeakPolarHBondContact O-CA 3.35Å; Y75-I84 HydrophobicContact CD2-CD1 4.34Å; Y75-I84 HydrophobicContact CD2-CG1 3.73Å; Y75-I84 HydrophobicContact CE2-CG1 4.48Å; Y75-I84 HydrophobicContact CG-CD1 4.47Å; Y75-I84 HydrophobicContact CG-CG1 4.12Å; I84-F86 HydrophobicContact CG2-CD1 3.89Å; I84-F86 HydrophobicContact CG2-CE1 4.39Å
85V98.7Very high96.1Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-128.5123.9178.8-170.60000108.2V21 V42 W54 H55 S74 M83V21-V85 HydrophobicContact CG1-CB 3.75Å; V21-V85 HydrophobicContact CG1-CG1 3.91Å; V21-V85 HydrophobicContact CG1-CG2 3.79Å; V42-V85 HydrophobicContact CG1-CG1 4.16Å; V42-V85 HydrophobicContact CG1-CG2 4.08Å; W54-V85 HydrophobicContact CE3-CG1 3.72Å; W54-V85 HydrophobicContact CZ3-CG1 3.87Å; H55-V85 WeakPolarHBondContact O-CA 3.42Å; S74-V85 PolarHBondContact N-O 3.21Å; S74-V85 PolarHBondContact O-N 3.15Å; M83-V85 HydrophobicContact CG-CG2 3.79Å; M83-V85 HydrophobicContact SD-CG2 4.49Å
86F98.6Very high95.9Very high16 Ų1641.1 Ų41.17%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-150.7156-178.367.9-81.8000114.7W54 H55 V66 H68 Y72 F73 I84 T88W54-F86 CarbonylContact C-O 3.52Å; W54-F86 WeakPolarHBondContact CA-O 3.22Å; H55-F86 HydrophobicContact CB-CD1 4.02Å; H55-F86 HydrophobicContact CB-CD2 4.24Å; H55-F86 HydrophobicContact CB-CE1 3.6Å; H55-F86 HydrophobicContact CB-CE2 3.83Å; H55-F86 HydrophobicContact CB-CG 4.34Å; H55-F86 HydrophobicContact CB-CZ 3.49Å; H55-F86 VanDerWaalsContact CB-CZ 3.49Å; H55-F86 AromaticContact CD2-CE2 3.72Å; H55-F86 AromaticContact CG-CE2 3.87Å; H55-F86 AromaticContact CG-CZ 3.87Å; H55-F86 PolarHBondContact N-O 2.89Å; H55-F86 PolarHBondContact O-N 2.8Å; V66-F86 HydrophobicContact CB-CE1 4.42Å; V66-F86 HydrophobicContact CB-CE2 4.17Å; V66-F86 HydrophobicContact CB-CZ 3.96Å; V66-F86 HydrophobicContact CG1-CE1 4.22Å; V66-F86 HydrophobicContact CG1-CZ 3.88Å; V66-F86 HydrophobicContact CG2-CD1 4.42Å; V66-F86 HydrophobicContact CG2-CE1 4.23Å; V66-F86 HydrophobicContact CG2-CE2 4.39Å; V66-F86 HydrophobicContact CG2-CZ 4.21Å; H68-F86 HydrophobicContact CB-CB 3.92Å; H68-F86 HydrophobicContact CB-CD2 3.88Å; H68-F86 HydrophobicContact CB-CG 4.28Å; Y72-F86 WeakPolarHBondContact O-CA 3.29Å; F73-F86 HydrophobicContact CB-CB 4.32Å; F73-F86 HydrophobicContact CD2-CB 3.78Å; F73-F86 HydrophobicContact CD2-CG 4.43Å; F73-F86 HydrophobicContact CG-CB 4.49Å; I84-F86 HydrophobicContact CG2-CD1 3.89Å; I84-F86 HydrophobicContact CG2-CE1 4.39Å; F86-T88 HydrophobicContact CD2-CG2 3.93Å; F86-T88 HydrophobicContact CE2-CG2 3.71Å
87R98.3Very high95.8Very high34 Ų3444.2 Ų44.213%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-110.1143.6178-166.7179.5162.9168.4-5.3111.6D50 G51 V53 W54 H68 L69 Y72 Q89D50-R87 PolarHBondContact O-NH1 3.5Å; D50-R87 VanDerWaalsContact O-NH1 3.1Å; D50-R87 IonicContact OD2-CZ 3.35Å; D50-R87 IonicContact OD2-NH1 3.71Å; D50-R87 PolarHBondContact OD2-NH1 3.06Å; G51-R87 PolarHBondContact O-NH1 2.94Å; V53-R87 WeakPolarHBondContact O-CA 3.46Å; W54-R87 HydrophobicContact CD2-CB 4.02Å; W54-R87 HydrophobicContact CD2-CG 4.34Å; W54-R87 HydrophobicContact CE3-CB 4.25Å; W54-R87 HydrophobicContact CG-CB 4.47Å; W54-R87 HydrophobicContact CG-CG 4.43Å; W54-R87 HydrophobicContact CZ2-CB 4.33Å; H68-R87 CarbonylContact C-O 3.52Å; H68-R87 WeakPolarHBondContact CA-O 3.34Å; L69-R87 HydrophobicContact CD1-CG 4.23Å; L69-R87 PolarHBondContact N-O 3.18Å; Y72-R87 HydrophobicContact CD1-CB 4.28Å; Y72-R87 HydrophobicContact CG-CB 4.09Å; Y72-R87 PolarHBondContact O-N 2.73Å; R87-Q89 WeakPolarHBondContact CG-O 3.4Å; R87-Q89 PolarHBondContact NE-O 3.07Å; R87-Q89 PolarHBondContact NH2-O 3.02Å; R87-Q89 PolarHBondContact NH2-OXT 3.39Å; R87-Q89 VanDerWaalsContact NH2-OXT 3.08Å
88T97.3Very high95.7Very high48 Ų4842.6 Ų42.629%0.29423%0.231SC..  trans-118.5-13.8-179.856.60000115.1V53 H55 F86V53-T88 PolarHBondContact O-N 3.45Å; V53-T88 PolarHBondContact O-OG1 3.32Å; H55-T88 VanDerWaalsContact CD2-CG2 3.5Å; H55-T88 WeakPolarHBondContact CD2-CG2 3.16Å; H55-T88 WeakPolarHBondContact NE2-CG2 3.42Å; H55-T88 PolarHBondContact NE2-OG1 2.92Å; F86-T88 HydrophobicContact CD2-CG2 3.93Å; F86-T88 HydrophobicContact CE2-CG2 3.71Å
89Q86.1Confident95.8Very high157 Ų15745.6 Ų45.673%0.73425%0.249SC*.  trans-149.50179.7-61.2179.514.500109G52 V53 R87G52-Q89 VanDerWaalsContact CA-O 3.22Å; G52-Q89 WeakPolarHBondContact CA-O 3.45Å; V53-Q89 HydrophobicContact CB-CB 4.2Å; V53-Q89 HydrophobicContact CG2-CB 4.07Å; V53-Q89 HydrophobicContact CG2-CG 4.39Å; V53-Q89 PolarHBondContact N-O 3.46Å; R87-Q89 WeakPolarHBondContact CG-O 3.4Å; R87-Q89 PolarHBondContact NE-O 3.07Å; R87-Q89 PolarHBondContact NH2-O 3.02Å; R87-Q89 PolarHBondContact NH2-OXT 3.39Å; R87-Q89 VanDerWaalsContact NH2-OXT 3.08Å

Retrieved 89 of 89 residues in 20.1 ms (Link to these results)

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