G4V800_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4V800, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 272 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
1M30.4Very low47.2Very low206 Ų20683.2 Ų83.2100%1.01543%0.427SS*.  0125.70-79.9172.2154.700106.6
2G36.6Very low48.2Very low56 Ų5678.6 Ų78.658%0.57741%0.406SS*.  trans-56.1144.4164.500000108.3
3S42.7Very low49.2Very low64 Ų6474.5 Ų74.545%0.44838%0.384SS..  trans-56.9146.9179.3620000109.3Q5 A6 Y7S3-Q5 PolarHBondContact O-N 3.28Å; S3-A6 WeakPolarHBondContact O-CA 3.36Å; S3-A6 WeakPolarHBondContact O-CB 2.92Å; S3-A6 PolarHBondContact O-N 3.39Å; S3-A6 PolarHBondContact OG-N 3.01Å; S3-Y7 PolarHBondContact O-N 3.08Å
4W42.6Very low50.1Low121 Ų12169.2 Ų69.246%0.45836%0.357SS..Hα-helixtrans-42.9-37.8170.8163-118.1000112.2A6 Y7 A8 F29 E31W4-A6 PolarHBondContact O-N 3.22Å; W4-Y7 PolarHBondContact O-N 2.7Å; W4-A8 HydrophobicContact CZ2-CB 4.32Å; W4-A8 VanDerWaalsContact O-CB 3.31Å; W4-A8 WeakPolarHBondContact O-CB 3.39Å; W4-A8 PolarHBondContact O-N 3.05Å; W4-F29 HydrophobicContact CH2-CD1 4.04Å; W4-F29 AromaticContact CH2-CE1 3.41Å; W4-F29 HydrophobicContact CH2-CE1 3.41Å; W4-F29 VanDerWaalsContact CH2-CE1 3.41Å; W4-F29 AromaticContact CH2-CZ 3.89Å; W4-F29 HydrophobicContact CH2-CZ 3.89Å; W4-F29 HydrophobicContact CZ2-CD1 4.21Å; W4-F29 HydrophobicContact CZ2-CE1 4.04Å; W4-F29 HydrophobicContact CZ3-CE1 4.46Å; W4-E31 HydrophobicContact CH2-CB 3.94Å; W4-E31 HydrophobicContact CH2-CG 3.63Å; W4-E31 VanDerWaalsContact CH2-OE2 3.22Å; W4-E31 WeakPolarHBondContact CH2-OE2 3.49Å; W4-E31 HydrophobicContact CZ3-CB 4.38Å; W4-E31 HydrophobicContact CZ3-CG 3.61Å; W4-E31 WeakPolarHBondContact CZ3-OE1 3.29Å; W4-E31 WeakPolarHBondContact CZ3-OE2 3.48Å
5Q43.8Very low51Low128 Ų12864.7 Ų64.760%0.59833%0.333SS*.Hα-helixtrans-62.4-35.2177-63.3163.7-15.800113.5S3 R9S3-Q5 PolarHBondContact O-N 3.28Å; Q5-R9 VanDerWaalsContact O-CB 3.26Å; Q5-R9 WeakPolarHBondContact O-CB 3.33Å; Q5-R9 WeakPolarHBondContact O-CD 3.27Å; Q5-R9 WeakPolarHBondContact O-CG 3.47Å; Q5-R9 PolarHBondContact O-N 3.29Å
6A45.4Very low51.6Low36 Ų3664.8 Ų64.830%0.29833%0.329SS..Hα-helixtrans-68.6-46.2174.800000111.1S3 W4 R9 E10S3-A6 WeakPolarHBondContact O-CA 3.36Å; S3-A6 WeakPolarHBondContact O-CB 2.92Å; S3-A6 PolarHBondContact O-N 3.39Å; S3-A6 PolarHBondContact OG-N 3.01Å; W4-A6 PolarHBondContact O-N 3.22Å; A6-R9 WeakPolarHBondContact O-CB 3.46Å; A6-R9 PolarHBondContact O-N 3.11Å; A6-E10 WeakPolarHBondContact O-CG 2.91Å; A6-E10 PolarHBondContact O-N 3.16Å
7Y50.2Low52Low58 Ų5861.6 Ų61.623%0.22731%0.312CS..Hα-helixtrans-63.8-43.8177.2-118.2-71.8000112.2S3 W4 R9 E10 I11 Y73 K102 E185S3-Y7 PolarHBondContact O-N 3.08Å; W4-Y7 PolarHBondContact O-N 2.7Å; Y7-R9 VanDerWaalsContact C-N 3.34Å; Y7-R9 PolarHBondContact O-N 3.28Å; Y7-E10 PolarHBondContact O-N 2.72Å; Y7-I11 HydrophobicContact CD1-CD1 4.35Å; Y7-I11 VanDerWaalsContact O-CG1 3.28Å; Y7-I11 WeakPolarHBondContact O-CG1 3.44Å; Y7-I11 PolarHBondContact O-N 2.87Å; Y7-Y73 HydrophobicContact CD1-CE1 4.38Å; Y7-Y73 WeakPolarHBondContact CD1-OH 3.47Å; Y7-Y73 AromaticContact CE1-CZ 3.96Å; Y7-Y73 WeakPolarHBondContact CE1-OH 3.23Å; Y7-K102 PolarHBondContact OH-NZ 3.23Å; Y7-E185 PolarHBondContact OH-OE2 3.12Å
8A50.8Low52.4Low19 Ų1958.4 Ų58.416%0.15730%0.296CS..Hα-helixtrans-64.1-38.8175.600000111.7W4 I11 V12W4-A8 HydrophobicContact CZ2-CB 4.32Å; W4-A8 VanDerWaalsContact O-CB 3.31Å; W4-A8 WeakPolarHBondContact O-CB 3.39Å; W4-A8 PolarHBondContact O-N 3.05Å; A8-I11 PolarHBondContact O-N 3.4Å; A8-V12 WeakPolarHBondContact O-CB 3.46Å; A8-V12 WeakPolarHBondContact O-CG2 2.95Å; A8-V12 PolarHBondContact O-N 2.57Å
9R54.4Low52.7Low155 Ų15557.9 Ų57.959%0.58531%0.307SS*.Hα-helixtrans-62.6-43.3173.5-80.7171.4-174.7-175.72.4111.8Q5 A6 Y7 V12 E13Q5-R9 VanDerWaalsContact O-CB 3.26Å; Q5-R9 WeakPolarHBondContact O-CB 3.33Å; Q5-R9 WeakPolarHBondContact O-CD 3.27Å; Q5-R9 WeakPolarHBondContact O-CG 3.47Å; Q5-R9 PolarHBondContact O-N 3.29Å; A6-R9 WeakPolarHBondContact O-CB 3.46Å; A6-R9 PolarHBondContact O-N 3.11Å; Y7-R9 VanDerWaalsContact C-N 3.34Å; Y7-R9 PolarHBondContact O-N 3.28Å; R9-V12 PolarHBondContact O-N 2.75Å; R9-E13 WeakPolarHBondContact O-CB 3.28Å; R9-E13 PolarHBondContact O-N 2.92Å
10E59Low53.4Low69 Ų6955.9 Ų55.932%0.32230%0.296SS..Hα-helixtrans-64.7-42.4176.8-74.4175.3-171.800111.6A6 Y7 E13 I14A6-E10 WeakPolarHBondContact O-CG 2.91Å; A6-E10 PolarHBondContact O-N 3.16Å; Y7-E10 PolarHBondContact O-N 2.72Å; E10-E13 PolarHBondContact O-N 3.48Å; E10-I14 WeakPolarHBondContact O-CB 2.92Å; E10-I14 WeakPolarHBondContact O-CD1 3.49Å; E10-I14 VanDerWaalsContact O-CG1 3.22Å; E10-I14 WeakPolarHBondContact O-CG1 3.46Å; E10-I14 PolarHBondContact O-N 2.92Å
11I62.9Low53.9Low3 Ų354 Ų542%0.01529%0.285CS..Hα-helixtrans-63.5-44.9174.9-68.4162.8000111Y7 A8 E13 I14 I15 F29 I71 Y73 I100Y7-I11 HydrophobicContact CD1-CD1 4.35Å; Y7-I11 VanDerWaalsContact O-CG1 3.28Å; Y7-I11 WeakPolarHBondContact O-CG1 3.44Å; Y7-I11 PolarHBondContact O-N 2.87Å; A8-I11 PolarHBondContact O-N 3.4Å; I11-E13 VanDerWaalsContact C-N 3.28Å; I11-E13 PolarHBondContact O-N 3.26Å; I11-I14 WeakPolarHBondContact O-CB 3.35Å; I11-I14 PolarHBondContact O-N 3.29Å; I11-I15 HydrophobicContact CG2-CD1 3.68Å; I11-I15 HydrophobicContact CG2-CG1 4.4Å; I11-I15 WeakPolarHBondContact O-CD1 3.24Å; I11-I15 WeakPolarHBondContact O-CG1 3.13Å; I11-I15 PolarHBondContact O-N 3.32Å; I11-F29 HydrophobicContact CD1-CE2 4.41Å; I11-F29 HydrophobicContact CD1-CZ 4.06Å; I11-F29 HydrophobicContact CG2-CE2 3.85Å; I11-I71 HydrophobicContact CG2-CG2 4.37Å; I11-Y73 HydrophobicContact CD1-CD1 3.76Å; I11-Y73 HydrophobicContact CD1-CD2 3.44Å; I11-Y73 VanDerWaalsContact CD1-CD2 3.44Å; I11-Y73 HydrophobicContact CD1-CE1 3.88Å; I11-Y73 HydrophobicContact CD1-CE2 3.61Å; I11-Y73 HydrophobicContact CD1-CG 3.51Å; I11-Y73 HydrophobicContact CG1-CD2 4.06Å; I11-Y73 HydrophobicContact CG1-CE2 4.07Å; I11-I100 HydrophobicContact CG2-CD1 3.53Å
12V59.3Low55.6Low28 Ų2849 Ų4917%0.1726%0.263CS..Hα-helixtrans-62-38175.2167.50000110.9A8 R9 I15 Y16 L21A8-V12 WeakPolarHBondContact O-CB 3.46Å; A8-V12 WeakPolarHBondContact O-CG2 2.95Å; A8-V12 PolarHBondContact O-N 2.57Å; R9-V12 PolarHBondContact O-N 2.75Å; V12-I15 PolarHBondContact O-N 2.73Å; V12-Y16 VanDerWaalsContact O-CB 3.26Å; V12-Y16 WeakPolarHBondContact O-CB 3.48Å; V12-Y16 PolarHBondContact O-N 3.29Å; V12-L21 HydrophobicContact CG1-CD2 4.01Å
13E61.4Low56.8Low25 Ų2553.6 Ų53.612%0.11727%0.269CS..Hα-helixtrans-68-41.3175.6-173.8168.7-172.200112R9 E10 I11 I15 Y16 F17 S211 Y213R9-E13 WeakPolarHBondContact O-CB 3.28Å; R9-E13 PolarHBondContact O-N 2.92Å; E10-E13 PolarHBondContact O-N 3.48Å; I11-E13 VanDerWaalsContact C-N 3.28Å; I11-E13 PolarHBondContact O-N 3.26Å; E13-I15 VanDerWaalsContact C-N 3.32Å; E13-I15 PolarHBondContact O-N 3.2Å; E13-Y16 PolarHBondContact O-N 2.85Å; E13-F17 VanDerWaalsContact O-CB 3.29Å; E13-F17 WeakPolarHBondContact O-CB 3.33Å; E13-F17 PolarHBondContact O-N 3.03Å; E13-S211 WeakPolarHBondContact OE1-CB 3.48Å; E13-S211 PolarHBondContact OE1-OG 2.88Å; E13-Y213 HydrophobicContact CB-CD2 4.31Å; E13-Y213 HydrophobicContact CB-CE2 4.4Å; E13-Y213 HydrophobicContact CG-CD2 4.42Å
14I62.3Low58Low1 Ų156.7 Ų56.71%0.00529%0.286CS..Hα-helixtrans-58.5-46.2172.3-72161.9000110E10 I11 F17 Y18 I141 L143 L187 I189 Y222E10-I14 WeakPolarHBondContact O-CB 2.92Å; E10-I14 WeakPolarHBondContact O-CD1 3.49Å; E10-I14 VanDerWaalsContact O-CG1 3.22Å; E10-I14 WeakPolarHBondContact O-CG1 3.46Å; E10-I14 PolarHBondContact O-N 2.92Å; I11-I14 WeakPolarHBondContact O-CB 3.35Å; I11-I14 PolarHBondContact O-N 3.29Å; I14-F17 VanDerWaalsContact O-CB 3.28Å; I14-F17 WeakPolarHBondContact O-CB 3.44Å; I14-F17 PolarHBondContact O-N 3.04Å; I14-Y18 HydrophobicContact CG2-CD2 4.22Å; I14-Y18 HydrophobicContact CG2-CE2 3.95Å; I14-Y18 WeakPolarHBondContact O-CD2 3.22Å; I14-Y18 PolarHBondContact O-N 3.15Å; I14-I141 HydrophobicContact CB-CD1 4.49Å; I14-I141 HydrophobicContact CD1-CD1 4.05Å; I14-I141 HydrophobicContact CG1-CD1 3.89Å; I14-I141 HydrophobicContact CG2-CD1 3.78Å; I14-L143 HydrophobicContact CD1-CD1 4.17Å; I14-L143 HydrophobicContact CD1-CD2 4.24Å; I14-L187 HydrophobicContact CD1-CD1 3.54Å; I14-I189 HydrophobicContact CG2-CD1 3.34Å; I14-Y222 HydrophobicContact CG1-CE1 4.3Å
15I63Low59.3Low1 Ų152.3 Ų52.31%0.00527%0.271CS..Hα-helixtrans-70.2-39.3-177.9-64.6167.1000110.9I11 V12 E13 F17 Y18 E20 L21 I71 L98 I100I11-I15 HydrophobicContact CG2-CD1 3.68Å; I11-I15 HydrophobicContact CG2-CG1 4.4Å; I11-I15 WeakPolarHBondContact O-CD1 3.24Å; I11-I15 WeakPolarHBondContact O-CG1 3.13Å; I11-I15 PolarHBondContact O-N 3.32Å; V12-I15 PolarHBondContact O-N 2.73Å; E13-I15 VanDerWaalsContact C-N 3.32Å; E13-I15 PolarHBondContact O-N 3.2Å; I15-F17 VanDerWaalsContact C-N 3.26Å; I15-F17 PolarHBondContact O-N 2.9Å; I15-Y18 PolarHBondContact O-N 3.06Å; I15-Y18 VanDerWaalsContact O-N 3.09Å; I15-E20 HydrophobicContact CG2-CB 4.06Å; I15-E20 PolarHBondContact O-N 2.69Å; I15-L21 HydrophobicContact CG2-CB 4.04Å; I15-L21 HydrophobicContact CG2-CD1 4.22Å; I15-I71 HydrophobicContact CD1-CB 4.31Å; I15-I71 HydrophobicContact CD1-CD1 3.41Å; I15-I71 VanDerWaalsContact CD1-CD1 3.41Å; I15-I71 HydrophobicContact CD1-CG1 3.75Å; I15-I71 HydrophobicContact CD1-CG2 3.58Å; I15-L98 HydrophobicContact CB-CD2 4.31Å; I15-L98 HydrophobicContact CD1-CD2 4.37Å; I15-L98 HydrophobicContact CG1-CD2 3.95Å; I15-L98 HydrophobicContact CG2-CD2 3.52Å; I15-I100 HydrophobicContact CD1-CD1 3.83Å; I15-I100 HydrophobicContact CG1-CD1 3.86Å
16Y60.9Low60.6Low66 Ų6647.8 Ų47.826%0.25925%0.254SS..Hα-helixtrans-61.7-36.6171.5-170.1-91000111.6V12 E13 Y18 G19 K212V12-Y16 VanDerWaalsContact O-CB 3.26Å; V12-Y16 WeakPolarHBondContact O-CB 3.48Å; V12-Y16 PolarHBondContact O-N 3.29Å; E13-Y16 PolarHBondContact O-N 2.85Å; Y16-Y18 PolarHBondContact O-N 3.21Å; Y16-G19 WeakPolarHBondContact O-CA 3.36Å; Y16-G19 PolarHBondContact O-N 2.72Å; Y16-K212 HydrophobicContact CD1-CB 3.67Å; Y16-K212 HydrophobicContact CD2-CB 4.23Å; Y16-K212 HydrophobicContact CD2-CD 3.99Å; Y16-K212 HydrophobicContact CD2-CG 4.3Å; Y16-K212 HydrophobicContact CE1-CB 3.91Å; Y16-K212 HydrophobicContact CE2-CB 4.44Å; Y16-K212 HydrophobicContact CE2-CD 4.29Å; Y16-K212 HydrophobicContact CE2-CG 4.29Å; Y16-K212 HydrophobicContact CG-CB 3.84Å; Y16-K212 HydrophobicContact CG-CD 4.29Å; Y16-K212 HydrophobicContact CG-CG 4.4Å
17F57.7Low61.8Low12 Ų1247 Ų475%0.05325%0.245CC..Hα-helixtrans-62-28.5174.2177.1-92.9000112.2E13 I14 I15 G19 R207 S208 Y222E13-F17 VanDerWaalsContact O-CB 3.29Å; E13-F17 WeakPolarHBondContact O-CB 3.33Å; E13-F17 PolarHBondContact O-N 3.03Å; I14-F17 VanDerWaalsContact O-CB 3.28Å; I14-F17 WeakPolarHBondContact O-CB 3.44Å; I14-F17 PolarHBondContact O-N 3.04Å; I15-F17 VanDerWaalsContact C-N 3.26Å; I15-F17 PolarHBondContact O-N 2.9Å; F17-G19 PolarHBondContact O-N 2.63Å; F17-R207 HydrophobicContact CE1-CB 3.83Å; F17-R207 HydrophobicContact CE1-CG 3.85Å; F17-R207 HydrophobicContact CZ-CB 3.9Å; F17-R207 HydrophobicContact CZ-CG 4.33Å; F17-S208 WeakPolarHBondContact CD2-O 3.48Å; F17-S208 WeakPolarHBondContact CE2-O 3.13Å; F17-S208 WeakPolarHBondContact O-CA 3.32Å; F17-S208 WeakPolarHBondContact O-CB 3.24Å; F17-S208 PolarHBondContact O-N 3.36Å; F17-Y222 HydrophobicContact CD1-CD1 4.21Å; F17-Y222 HydrophobicContact CD1-CG 4.25Å; F17-Y222 HydrophobicContact CD2-CD1 4.43Å; F17-Y222 AromaticContact CD2-CD2 3.67Å; F17-Y222 HydrophobicContact CD2-CD2 3.67Å; F17-Y222 HydrophobicContact CD2-CE2 4.28Å; F17-Y222 AromaticContact CD2-CG 3.76Å; F17-Y222 HydrophobicContact CD2-CG 3.76Å; F17-Y222 HydrophobicContact CE1-CD1 4.29Å; F17-Y222 HydrophobicContact CE1-CG 4.13Å; F17-Y222 AromaticContact CE2-CD2 3.84Å; F17-Y222 HydrophobicContact CE2-CD2 3.84Å; F17-Y222 AromaticContact CE2-CG 3.65Å; F17-Y222 HydrophobicContact CE2-CG 3.65Å; F17-Y222 HydrophobicContact CG-CD1 4.31Å; F17-Y222 HydrophobicContact CG-CD2 4.22Å; F17-Y222 HydrophobicContact CG-CG 4.08Å; F17-Y222 HydrophobicContact CZ-CD1 4.46Å; F17-Y222 AromaticContact CZ-CG 3.86Å; F17-Y222 HydrophobicContact CZ-CG 3.86Å
18Y60.2Low62.9Low3 Ų344.2 Ų44.21%0.01223%0.234CC..THydrogen-bonded Turntrans-81.21.5170.8-72.5-71.5000114.2I14 I15 Y16 E20 D139 I141 I189 I191 I205 K206 R207I14-Y18 HydrophobicContact CG2-CD2 4.22Å; I14-Y18 HydrophobicContact CG2-CE2 3.95Å; I14-Y18 WeakPolarHBondContact O-CD2 3.22Å; I14-Y18 PolarHBondContact O-N 3.15Å; I15-Y18 PolarHBondContact O-N 3.06Å; I15-Y18 VanDerWaalsContact O-N 3.09Å; Y16-Y18 PolarHBondContact O-N 3.21Å; Y18-E20 WeakPolarHBondContact O-CG 3.29Å; Y18-E20 PolarHBondContact O-N 3.48Å; Y18-D139 HydrophobicContact CE1-CB 4.16Å; Y18-D139 VanDerWaalsContact CE1-OD2 3.3Å; Y18-D139 WeakPolarHBondContact CE1-OD2 3.37Å; Y18-D139 WeakPolarHBondContact OH-CB 3.45Å; Y18-D139 VanDerWaalsContact OH-CG 3.26Å; Y18-D139 PolarHBondContact OH-OD2 3.21Å; Y18-I141 WeakPolarHBondContact OH-CG2 3.43Å; Y18-I189 HydrophobicContact CD2-CD1 4.26Å; Y18-I189 HydrophobicContact CD2-CG2 4.31Å; Y18-I189 HydrophobicContact CE2-CB 4.44Å; Y18-I189 HydrophobicContact CE2-CD1 3.3Å; Y18-I189 HydrophobicContact CE2-CG1 4.43Å; Y18-I189 HydrophobicContact CE2-CG2 4.03Å; Y18-I191 HydrophobicContact CG-CD1 4.46Å; Y18-I205 HydrophobicContact CD1-CB 4.48Å; Y18-I205 HydrophobicContact CD1-CG2 3.35Å; Y18-I205 HydrophobicContact CE1-CG2 4Å; Y18-I205 HydrophobicContact CG-CG2 4.23Å; Y18-K206 CarbonylContact C-O 3.41Å; Y18-R207 HydrophobicContact CD1-CG 4.26Å; Y18-R207 HydrophobicContact CE1-CG 4.05Å
19G57.1Low64Low49 Ų4944.7 Ų44.751%0.50523%0.233SC..THydrogen-bonded Turntrans63.521.8-174.900000112.6Y16 F17Y16-G19 WeakPolarHBondContact O-CA 3.36Å; Y16-G19 PolarHBondContact O-N 2.72Å; F17-G19 PolarHBondContact O-N 2.63Å
20E67.2Low64.8Low18 Ų1837.4 Ų37.48%0.08421%0.206CC..  trans-98.33.7-172.2-66-59.6173.500113.6I15 Y18 K69 K96 L98 I191I15-E20 HydrophobicContact CG2-CB 4.06Å; I15-E20 PolarHBondContact O-N 2.69Å; Y18-E20 WeakPolarHBondContact O-CG 3.29Å; Y18-E20 PolarHBondContact O-N 3.48Å; E20-K69 VanDerWaalsContact O-CD 3.28Å; E20-K69 WeakPolarHBondContact O-CD 3.32Å; E20-K69 WeakPolarHBondContact O-CE 3.3Å; E20-K96 IonicContact OE1-NZ 2.75Å; E20-K96 PolarHBondContact OE1-NZ 2.85Å; E20-K96 WeakPolarHBondContact OE2-CD 3.22Å; E20-K96 VanDerWaalsContact OE2-CE 3.27Å; E20-K96 WeakPolarHBondContact OE2-CE 2.9Å; E20-K96 IonicContact OE2-NZ 2.57Å; E20-K96 PolarHBondContact OE2-NZ 3.43Å; E20-L98 HydrophobicContact CB-CD2 4.03Å; E20-L98 HydrophobicContact CG-CD2 4.45Å; E20-I191 HydrophobicContact CG-CD1 3.83Å
21L64.6Low65.2Low16 Ų1637.4 Ų37.48%0.08421%0.206CC..  trans-133.2118.7178.9-153.386000110.5V12 I15 D25 V27 K69V12-L21 HydrophobicContact CG1-CD2 4.01Å; I15-L21 HydrophobicContact CG2-CB 4.04Å; I15-L21 HydrophobicContact CG2-CD1 4.22Å; L21-D25 WeakPolarHBondContact CA-OD2 3.32Å; L21-V27 HydrophobicContact CD1-CG2 3.67Å; L21-K69 HydrophobicContact CD1-CG 4.3Å
22N65.9Low65Low102 Ų10246 Ų4655%0.54524%0.238SC..  trans-95160163.7-58.2-51.5000110.4T24 D25N22-T24 PolarHBondContact O-N 2.92Å; N22-D25 WeakPolarHBondContact CB-OD1 3.13Å; N22-D25 PolarHBondContact N-OD2 3.39Å; N22-D25 PolarHBondContact O-N 3.17Å
23E61.7Low64.6Low152 Ų15248.4 Ų48.471%0.7125%0.249SC*.THydrogen-bonded Turntrans-63.8-23.7-179.7-64.1-175.7163.600113.4
24T67.3Low63.9Low129 Ų12952.5 Ų52.579%0.79128%0.28SS*.THydrogen-bonded Turntrans-92.1-6.4-179.553.70000113.8N22 S26N22-T24 PolarHBondContact O-N 2.92Å; T24-S26 PolarHBondContact O-N 2.61Å
25D70.1Confident63.4Low29 Ų2953.2 Ų53.216%0.15528%0.284CS..  trans-66.5134.5-175.5-71.5-4.8000110.7L21 N22 V27 D68L21-D25 WeakPolarHBondContact CA-OD2 3.32Å; N22-D25 WeakPolarHBondContact CB-OD1 3.13Å; N22-D25 PolarHBondContact N-OD2 3.39Å; N22-D25 PolarHBondContact O-N 3.17Å; D25-V27 HydrophobicContact CB-CG2 4.34Å; D25-D68 HydrophobicContact CB-CB 4.04Å
26S71.1Confident62.8Low33 Ų3357.7 Ų57.723%0.23131%0.308CS..  trans-78.6118.6167.363.60000110.2T24 Y67 D68 K69T24-S26 PolarHBondContact O-N 2.61Å; S26-Y67 WeakPolarHBondContact OG-CA 3.1Å; S26-D68 WeakPolarHBondContact CB-OD2 3.49Å; S26-D68 PolarHBondContact N-OD2 3.38Å; S26-D68 PolarHBondContact O-N 3.13Å; S26-D68 PolarHBondContact OG-N 3.34Å; S26-D68 PolarHBondContact OG-OD2 2.82Å; S26-K69 PolarHBondContact O-N 3.18Å; S26-K69 VanDerWaalsContact O-N 3.08Å
27V71.3Confident62.3Low18 Ų1856.7 Ų56.711%0.10931%0.31CS..EExtended strand (participates in β ladder)trans-118.2127.9-171-177.30000111L21 D25 Y51 K69 I71L21-V27 HydrophobicContact CD1-CG2 3.67Å; D25-V27 HydrophobicContact CB-CG2 4.34Å; V27-Y51 PolarHBondContact O-N 3.07Å; V27-K69 WeakPolarHBondContact CA-O 3.28Å; V27-K69 HydrophobicContact CG2-CB 4.4Å; V27-I71 HydrophobicContact CG1-CD1 3.41Å; V27-I71 VanDerWaalsContact CG1-CD1 3.41Å; V27-I71 HydrophobicContact CG1-CG1 4.11Å
28C73.5Confident62.2Low0 Ų058.2 Ų58.20%032%0.323CS..EExtended strand (participates in β ladder)trans-102121.7164.2-176.30000109.4N49 Y67 K69 I70 I71C28-N49 WeakPolarHBondContact CA-O 3.49Å; C28-Y67 HydrophobicContact CB-CD1 3.88Å; C28-Y67 HydrophobicContact CB-CD2 3.74Å; C28-Y67 HydrophobicContact CB-CE1 3.91Å; C28-Y67 HydrophobicContact CB-CE2 3.74Å; C28-Y67 HydrophobicContact CB-CG 3.8Å; C28-K69 PolarHBondContact N-O 2.96Å; C28-I70 HydrophobicContact CB-CG1 4.12Å; C28-I70 CarbonylContact O-C 3.57Å; C28-I70 WeakPolarHBondContact O-CA 3.32Å; C28-I71 PolarHBondContact O-N 3.15Å
29F72.8Confident62Low29 Ų2964.8 Ų64.813%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-110.9126.5179.8-171.7-77.2000111.3W4 I11 E31 N49 I71 Y73W4-F29 HydrophobicContact CH2-CD1 4.04Å; W4-F29 AromaticContact CH2-CE1 3.41Å; W4-F29 HydrophobicContact CH2-CE1 3.41Å; W4-F29 VanDerWaalsContact CH2-CE1 3.41Å; W4-F29 AromaticContact CH2-CZ 3.89Å; W4-F29 HydrophobicContact CH2-CZ 3.89Å; W4-F29 HydrophobicContact CZ2-CD1 4.21Å; W4-F29 HydrophobicContact CZ2-CE1 4.04Å; W4-F29 HydrophobicContact CZ3-CE1 4.46Å; I11-F29 HydrophobicContact CD1-CE2 4.41Å; I11-F29 HydrophobicContact CD1-CZ 4.06Å; I11-F29 HydrophobicContact CG2-CE2 3.85Å; F29-E31 HydrophobicContact CD1-CB 4.43Å; F29-E31 HydrophobicContact CE1-CB 3.77Å; F29-E31 HydrophobicContact CE1-CG 4.07Å; F29-N49 PolarHBondContact N-O 3.37Å; F29-N49 WeakPolarHBondContact O-CB 3.39Å; F29-N49 VanDerWaalsContact O-CG 3.29Å; F29-N49 PolarHBondContact O-ND2 2.75Å; F29-I71 CarbonylContact C-O 3.52Å; F29-I71 WeakPolarHBondContact CA-O 3.37Å; F29-I71 HydrophobicContact CD2-CB 3.8Å; F29-I71 HydrophobicContact CD2-CD1 4.26Å; F29-I71 HydrophobicContact CD2-CG2 3.66Å; F29-I71 HydrophobicContact CE2-CB 4.26Å; F29-I71 HydrophobicContact CE2-CG2 3.59Å; F29-Y73 HydrophobicContact CZ-CG 4.28Å
30I71.3Confident61.9Low3 Ų369.1 Ų69.12%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-119.8111.7-179.7-56173000108.3L35 L46 I70 I71 I72 Y73 F82I30-L35 HydrophobicContact CG2-CD1 4.18Å; I30-L46 HydrophobicContact CD1-CD2 4.03Å; I30-I70 HydrophobicContact CD1-CG2 4.21Å; I30-I71 PolarHBondContact N-O 3.13Å; I30-I72 HydrophobicContact CB-CG1 4.41Å; I30-I72 HydrophobicContact CD1-CG1 4.44Å; I30-I72 WeakPolarHBondContact O-CA 3.41Å; I30-Y73 PolarHBondContact O-N 3Å; I30-F82 HydrophobicContact CD1-CE2 3.98Å; I30-F82 HydrophobicContact CD1-CZ 3.7Å
31E68.1Low61.6Low69 Ų6970.5 Ų70.532%0.32237%0.366SS..EExtended strand (participates in β ladder)trans-97143.2173.4-148.4-161.6167.400111W4 F29 I33 Y73W4-E31 HydrophobicContact CH2-CB 3.94Å; W4-E31 HydrophobicContact CH2-CG 3.63Å; W4-E31 VanDerWaalsContact CH2-OE2 3.22Å; W4-E31 WeakPolarHBondContact CH2-OE2 3.49Å; W4-E31 HydrophobicContact CZ3-CB 4.38Å; W4-E31 HydrophobicContact CZ3-CG 3.61Å; W4-E31 WeakPolarHBondContact CZ3-OE1 3.29Å; W4-E31 WeakPolarHBondContact CZ3-OE2 3.48Å; F29-E31 HydrophobicContact CD1-CB 4.43Å; F29-E31 HydrophobicContact CE1-CB 3.77Å; F29-E31 HydrophobicContact CE1-CG 4.07Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 WeakPolarHBondContact O-CG1 3.28Å; E31-I33 PolarHBondContact O-N 3Å; E31-Y73 HydrophobicContact CG-CD1 3.87Å
32R59.3Low61.3Low183 Ų18369.8 Ų69.869%0.69136%0.362SS*.SBendtrans20.261.8144.7-157.3-179.9179.2178.20.7117Y73 E74R32-Y73 PolarHBondContact N-O 3.15Å; R32-E74 HydrophobicContact CB-CB 4.26Å; R32-E74 HydrophobicContact CG-CB 4.33Å
33I50.3Low61Low78 Ų7867.7 Ų67.740%0.436%0.356SS..  trans-128.4134.9164.6-63.3168.2000106.8E31 L35 Y45E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 WeakPolarHBondContact O-CG1 3.28Å; E31-I33 PolarHBondContact O-N 3Å; I33-L35 VanDerWaalsContact C-N 3.28Å; I33-L35 PolarHBondContact O-N 2.88Å; I33-Y45 HydrophobicContact CD1-CE1 3.82Å
34S47Very low61.1Low112 Ų11266.1 Ų66.178%0.78335%0.347SS*.  trans-61.296.8165.2176.10000107.3D36S34-D36 PolarHBondContact O-N 2.91Å; S34-D36 VanDerWaalsContact O-N 3.11Å
35L50.2Low60.8Low15 Ų1563 Ų638%0.07932%0.321CS..  trans-71.4109.1179.9-80.3157.1000108I30 I33 S37 Y45 L78 F82I30-L35 HydrophobicContact CG2-CD1 4.18Å; I33-L35 VanDerWaalsContact C-N 3.28Å; I33-L35 PolarHBondContact O-N 2.88Å; L35-S37 PolarHBondContact O-N 2.81Å; L35-S37 VanDerWaalsContact O-N 3.16Å; L35-Y45 HydrophobicContact CD2-CD1 4.38Å; L35-Y45 HydrophobicContact CD2-CD2 3.26Å; L35-Y45 HydrophobicContact CD2-CE1 4.5Å; L35-Y45 HydrophobicContact CD2-CE2 3.44Å; L35-Y45 VanDerWaalsContact CD2-CE2 3.44Å; L35-Y45 HydrophobicContact CD2-CG 3.81Å; L35-L78 HydrophobicContact CB-CD2 4.43Å; L35-L78 HydrophobicContact CD1-CD2 3.33Å; L35-L78 HydrophobicContact CG-CD2 4.49Å; L35-F82 HydrophobicContact CD1-CD2 4.38Å; L35-F82 HydrophobicContact CD1-CE2 4.16Å
36D51.1Low60.2Low96 Ų9661.7 Ų61.751%0.51331%0.314SS..  trans-60.1117.1158.5178.314.6000107.6S34 S38 N41S34-D36 PolarHBondContact O-N 2.91Å; S34-D36 VanDerWaalsContact O-N 3.11Å; D36-S38 PolarHBondContact O-N 2.82Å; D36-N41 PolarHBondContact OD2-ND2 2.99Å
37S51.3Low59.6Low44 Ų4462.9 Ų62.931%0.30833%0.326SS..  trans-69.311.1-170.750.60000114.8L35L35-S37 PolarHBondContact O-N 2.81Å; L35-S37 VanDerWaalsContact O-N 3.16Å
38S55.3Low58.9Low44 Ų4468 Ų6831%0.30835%0.353SS..  trans-65.4135.8175.770.90000111.1D36 E40 N41 I42D36-S38 PolarHBondContact O-N 2.82Å; S38-E40 PolarHBondContact O-N 3.39Å; S38-E40 VanDerWaalsContact O-N 3.16Å; S38-N41 PolarHBondContact O-N 2.9Å; S38-N41 VanDerWaalsContact O-N 3.07Å; S38-N41 WeakPolarHBondContact OG-CB 3.33Å; S38-N41 VanDerWaalsContact OG-CG 3.32Å; S38-N41 PolarHBondContact OG-ND2 3.2Å; S38-I42 PolarHBondContact O-N 3.09Å
39K55.1Low57.9Low141 Ų14170.6 Ų70.661%0.61337%0.367SS*.Hα-helixtrans-56.5-33.5-176.2-68.4-175.5176.9170.30113.3S43K39-S43 PolarHBondContact O-N 3.31Å; K39-S43 PolarHBondContact O-OG 2.81Å
40E55.1Low56.9Low141 Ų14173.5 Ų73.566%0.65938%0.379SS*.Hα-helixtrans-67-40.4178.7-69.1-174.6-179.400111.9S38 K44S38-E40 PolarHBondContact O-N 3.39Å; S38-E40 VanDerWaalsContact O-N 3.16Å; E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 3.18Å
41N61Low55.7Low46 Ų4680.6 Ų80.625%0.24641%0.407CS..Hα-helixtrans-68.5-46178.1-76.1-17.6000110.8D36 S38 S43 K44 Y45D36-N41 PolarHBondContact OD2-ND2 2.99Å; S38-N41 PolarHBondContact O-N 2.9Å; S38-N41 VanDerWaalsContact O-N 3.07Å; S38-N41 WeakPolarHBondContact OG-CB 3.33Å; S38-N41 VanDerWaalsContact OG-CG 3.32Å; S38-N41 PolarHBondContact OG-ND2 3.2Å; N41-S43 VanDerWaalsContact C-N 3.3Å; N41-S43 PolarHBondContact O-N 3.26Å; N41-K44 WeakPolarHBondContact O-CB 3.36Å; N41-K44 PolarHBondContact O-N 3.43Å; N41-K44 VanDerWaalsContact O-N 3.12Å; N41-Y45 HydrophobicContact CB-CD2 4.29Å; N41-Y45 HydrophobicContact CB-CE2 4.12Å; N41-Y45 WeakPolarHBondContact O-CD2 3.37Å; N41-Y45 PolarHBondContact O-N 3.44Å
42I57.9Low54.6Low1 Ų185 Ų851%0.00543%0.428CS..Hα-helixtrans-57.7-44.2-179.7-60.8167.1000111.2S38 Y45 L46 F82 H85S38-I42 PolarHBondContact O-N 3.09Å; I42-Y45 PolarHBondContact O-N 3.48Å; I42-L46 HydrophobicContact CG2-CD1 4.1Å; I42-L46 WeakPolarHBondContact O-CG 3.47Å; I42-L46 PolarHBondContact O-N 3.42Å; I42-F82 HydrophobicContact CD1-CB 4.08Å; I42-F82 HydrophobicContact CD1-CD2 4.33Å; I42-F82 HydrophobicContact CG1-CD2 4.1Å; I42-F82 HydrophobicContact CG2-CD2 3.72Å; I42-F82 HydrophobicContact CG2-CE2 4.13Å; I42-H85 HydrophobicContact CG2-CB 3.75Å
43S61.2Low53.7Low58 Ų5879 Ų7941%0.40641%0.414SS..Hα-helixtrans-66.3-38.9179.2-53.70000112K39 N41 A47K39-S43 PolarHBondContact O-N 3.31Å; K39-S43 PolarHBondContact O-OG 2.81Å; N41-S43 VanDerWaalsContact C-N 3.3Å; N41-S43 PolarHBondContact O-N 3.26Å; S43-A47 WeakPolarHBondContact O-CB 3.39Å; S43-A47 PolarHBondContact O-N 3.19Å
44K62.9Low53.2Low120 Ų12083.3 Ų83.352%0.52243%0.432SS..Hα-helixtrans-64.3-42.9173.7-73.5173-176.81720111.9E40 N41 A47 N48E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 3.18Å; N41-K44 WeakPolarHBondContact O-CB 3.36Å; N41-K44 PolarHBondContact O-N 3.43Å; N41-K44 VanDerWaalsContact O-N 3.12Å; K44-A47 PolarHBondContact O-N 2.8Å; K44-N48 WeakPolarHBondContact O-CB 3.37Å; K44-N48 PolarHBondContact O-N 2.84Å; K44-N48 PolarHBondContact O-ND2 3.47Å
45Y60.1Low52.7Low62 Ų6286.8 Ų86.824%0.24344%0.435CS..Hα-helixtrans-62.4-46178.1-80.9-67.9000112.1I33 L35 N41 I42 A47 N48 N49I33-Y45 HydrophobicContact CD1-CE1 3.82Å; L35-Y45 HydrophobicContact CD2-CD1 4.38Å; L35-Y45 HydrophobicContact CD2-CD2 3.26Å; L35-Y45 HydrophobicContact CD2-CE1 4.5Å; L35-Y45 HydrophobicContact CD2-CE2 3.44Å; L35-Y45 VanDerWaalsContact CD2-CE2 3.44Å; L35-Y45 HydrophobicContact CD2-CG 3.81Å; N41-Y45 HydrophobicContact CB-CD2 4.29Å; N41-Y45 HydrophobicContact CB-CE2 4.12Å; N41-Y45 WeakPolarHBondContact O-CD2 3.37Å; N41-Y45 PolarHBondContact O-N 3.44Å; I42-Y45 PolarHBondContact O-N 3.48Å; Y45-A47 VanDerWaalsContact C-N 3.27Å; Y45-A47 PolarHBondContact O-N 3.39Å; Y45-N48 PolarHBondContact O-N 2.99Å; Y45-N49 PolarHBondContact O-N 3.04Å
46L59Low51.9Low2 Ų289.2 Ų89.21%0.0145%0.454CS..Hα-helixtrans-63.6-33.9176.2-69.2172.4000111.8I30 I42 Y67 I70 N89I30-L46 HydrophobicContact CD1-CD2 4.03Å; I42-L46 HydrophobicContact CG2-CD1 4.1Å; I42-L46 WeakPolarHBondContact O-CG 3.47Å; I42-L46 PolarHBondContact O-N 3.42Å; L46-Y67 WeakPolarHBondContact O-CE2 3.26Å; L46-Y67 PolarHBondContact O-OH 3.39Å; L46-I70 HydrophobicContact CD2-CD1 4.05Å; L46-I70 HydrophobicContact CD2-CG2 4.46Å; L46-N89 HydrophobicContact CD1-CB 4.22Å
47A58.4Low50.8Low59 Ų5992 Ų9249%0.48847%0.468SS..Hα-helixtrans-74.4-34.8177.600000113.7S43 K44 Y45S43-A47 WeakPolarHBondContact O-CB 3.39Å; S43-A47 PolarHBondContact O-N 3.19Å; K44-A47 PolarHBondContact O-N 2.8Å; Y45-A47 VanDerWaalsContact C-N 3.27Å; Y45-A47 PolarHBondContact O-N 3.39Å
48N55.9Low49.7Very low126 Ų12697.4 Ų97.467%0.67449%0.494SS*.Hα-helixtrans-86.1-24.7-171.2-71.2-11.1000114.1K44 Y45 K50K44-N48 WeakPolarHBondContact O-CB 3.37Å; K44-N48 PolarHBondContact O-N 2.84Å; K44-N48 PolarHBondContact O-ND2 3.47Å; Y45-N48 PolarHBondContact O-N 2.99Å; N48-K50 PolarHBondContact O-N 2.9Å
49N51.9Low48.4Very low54 Ų54101.9 Ų101.929%0.28951%0.513SS..  trans-95.746.7-173.3-74.1-24.2000113.7C28 F29 Y45 Y51C28-N49 WeakPolarHBondContact CA-O 3.49Å; F29-N49 PolarHBondContact N-O 3.37Å; F29-N49 WeakPolarHBondContact O-CB 3.39Å; F29-N49 VanDerWaalsContact O-CG 3.29Å; F29-N49 PolarHBondContact O-ND2 2.75Å; Y45-N49 PolarHBondContact O-N 3.04Å; N49-Y51 PolarHBondContact O-N 2.95Å
50K52.4Low47.1Very low90 Ų90104.1 Ų104.139%0.39152%0.523SS..BIsolated β-bridgetrans-78.5115.4172.6-69-166.2173.9-168.70109.8N48 Q52 L64 Y67N48-K50 PolarHBondContact O-N 2.9Å; K50-Q52 PolarHBondContact O-N 3.4Å; K50-L64 PolarHBondContact NZ-O 3.45Å; K50-L64 VanDerWaalsContact NZ-O 3.13Å; K50-Y67 HydrophobicContact CD-CE1 4.49Å; K50-Y67 WeakPolarHBondContact CE-OH 2.79Å; K50-Y67 HydrophobicContact CG-CE1 4.01Å; K50-Y67 VanDerWaalsContact CG-OH 3.27Å; K50-Y67 WeakPolarHBondContact CG-OH 3.46Å
51Y46.6Very low46Very low151 Ų151104.3 Ų104.359%0.59253%0.534SS*.  trans-71.8113.5167.5-167.3-95.1000108.6V27 N49 S53V27-Y51 PolarHBondContact O-N 3.07Å; N49-Y51 PolarHBondContact O-N 2.95Å; Y51-S53 PolarHBondContact O-N 2.91Å
52Q45.3Very low44.6Very low163 Ų163107.6 Ų107.676%0.76255%0.551SS**  trans-77.2113.2170.3-72.5-178.9-9.400108K50 H54K50-Q52 PolarHBondContact O-N 3.4Å; Q52-H54 PolarHBondContact O-N 3.08Å
53S39.2Very low44Very low57 Ų57116.4 Ų116.440%0.39959%0.59SS.*  trans-62.5131.716882.50000108.6Y51 H55Y51-S53 PolarHBondContact O-N 2.91Å; S53-H55 PolarHBondContact O-N 2.76Å
54H40.7Very low43.5Very low168 Ų168118.1 Ų118.178%0.77859%0.593SS**THydrogen-bonded Turntrans-70.915.9-176.5-82-63.4000114.5Q52Q52-H54 PolarHBondContact O-N 3.08Å
55H36.6Very low43.6Very low184 Ų184118 Ų11885%0.85260%0.599SS**THydrogen-bonded Turntrans-131.59.8-175.3-74.8-46.8000116.7S53S53-H55 PolarHBondContact O-N 2.76Å
56S33.7Very low44.4Very low67 Ų67117.8 Ų117.847%0.46960%0.604SS.*  trans-99.988.9168.962.90000111.3
57N27.7Very low45.2Very low153 Ų153118 Ų11882%0.81861%0.605SS**  trans-62.9135.5150-79-18.4000107.5
58D28.1Very low46.3Very low159 Ų159117 Ų11785%0.8559%0.591SS**SBendtrans71.346.1164.1-58.3-28.9000120.4
59L27.3Very low47.5Very low137 Ų137111.7 Ų111.772%0.71756%0.562SS**  trans-118.2106.1158.3-81.6158.1000110.6T61L59-T61 PolarHBondContact O-N 3.25Å
60K27.8Very low49Very low188 Ų188109.1 Ų109.182%0.81755%0.548SS*.  trans-26.3131160.1-73.7172.3175.81730109.9L62K60-L62 PolarHBondContact O-N 3.08Å
61T32.5Very low50.4Low145 Ų145105 Ų10589%0.8953%0.53SS*.  trans-5774.5173-30.60000110.5L59 K63L59-T61 PolarHBondContact O-N 3.25Å; T61-K63 PolarHBondContact O-N 2.56Å; T61-K63 VanDerWaalsContact O-N 3.17Å
62L32.5Very low52.1Low116 Ų11697.8 Ų97.861%0.60750%0.502SS*.  trans-63.7117.9168.4-96.2144.2000104.8K60 L64K60-L62 PolarHBondContact O-N 3.08Å; L62-L64 HydrophobicContact CB-CG 4.2Å; L62-L64 PolarHBondContact O-N 3.23Å
63K44.7Very low53.6Low186 Ų18690.4 Ų90.481%0.80947%0.467SS*.  trans-62.371.1162.6-77.5-178.6175.8178.30107.9T61 N65T61-K63 PolarHBondContact O-N 2.56Å; T61-K63 VanDerWaalsContact O-N 3.17Å; K63-N65 PolarHBondContact O-N 3.13Å; K63-N65 VanDerWaalsContact O-N 3.14Å
64L51Low55.2Low93 Ų9389 Ų8949%0.48745%0.454SS..  trans-67.2109.6166.4-77.3162.4000105.4K50 L62 V66K50-L64 PolarHBondContact NZ-O 3.45Å; K50-L64 VanDerWaalsContact NZ-O 3.13Å; L62-L64 HydrophobicContact CB-CG 4.2Å; L62-L64 PolarHBondContact O-N 3.23Å; L64-V66 PolarHBondContact O-N 3.14Å
65N64.2Low56.3Low118 Ų11881.8 Ų81.863%0.63142%0.423SS*.  trans-80.17.5170.9-65.8-22000111.2K63 N89K63-N65 PolarHBondContact O-N 3.13Å; K63-N65 VanDerWaalsContact O-N 3.14Å; N65-N89 WeakPolarHBondContact O-CA 3.43Å; N65-N89 PolarHBondContact O-OD1 2.82Å; N65-N89 VanDerWaalsContact O-OD1 3.07Å
66V76Confident57.6Low57 Ų5777.6 Ų77.635%0.34541%0.41SS..  trans-139.9137-167.8-173.60000108.2L64 N89 L90 E91L64-V66 PolarHBondContact O-N 3.14Å; V66-N89 CarbonylContact C-O 3.47Å; V66-N89 WeakPolarHBondContact CA-O 3.2Å; V66-L90 VanDerWaalsContact CG1-C 3.41Å; V66-E91 VanDerWaalsContact CG1-CA 3.42Å; V66-E91 HydrophobicContact CG1-CB 4Å
67Y77.5Confident59.1Low8 Ų876.9 Ų76.93%0.03141%0.413CS..BIsolated β-bridgetrans-118.5145.5179.1-65.1-72.3000110.6S26 C28 L46 K50 K69 I70 N89 L90 E91S26-Y67 WeakPolarHBondContact OG-CA 3.1Å; C28-Y67 HydrophobicContact CB-CD1 3.88Å; C28-Y67 HydrophobicContact CB-CD2 3.74Å; C28-Y67 HydrophobicContact CB-CE1 3.91Å; C28-Y67 HydrophobicContact CB-CE2 3.74Å; C28-Y67 HydrophobicContact CB-CG 3.8Å; L46-Y67 WeakPolarHBondContact O-CE2 3.26Å; L46-Y67 PolarHBondContact O-OH 3.39Å; K50-Y67 HydrophobicContact CD-CE1 4.49Å; K50-Y67 WeakPolarHBondContact CE-OH 2.79Å; K50-Y67 HydrophobicContact CG-CE1 4.01Å; K50-Y67 VanDerWaalsContact CG-OH 3.27Å; K50-Y67 WeakPolarHBondContact CG-OH 3.46Å; Y67-K69 VanDerWaalsContact C-N 3.34Å; Y67-I70 HydrophobicContact CD2-CD1 4.46Å; Y67-I70 HydrophobicContact CD2-CG1 4.22Å; Y67-I70 HydrophobicContact CG-CG1 4.45Å; Y67-N89 HydrophobicContact CD2-CB 4.36Å; Y67-N89 PolarHBondContact N-O 2.96Å; Y67-L90 CarbonylContact O-C 3.52Å; Y67-L90 WeakPolarHBondContact O-CA 3.33Å; Y67-E91 PolarHBondContact O-N 3.42Å
68D80.9Confident61.3Low38 Ų3870.6 Ų70.620%0.20338%0.379CS..SBendtrans-72.8-35.3170.4-55.7-56.9000110.1D25 S26 G95 K96D25-D68 HydrophobicContact CB-CB 4.04Å; S26-D68 WeakPolarHBondContact CB-OD2 3.49Å; S26-D68 PolarHBondContact N-OD2 3.38Å; S26-D68 PolarHBondContact O-N 3.13Å; S26-D68 PolarHBondContact OG-N 3.34Å; S26-D68 PolarHBondContact OG-OD2 2.82Å; D68-G95 CarbonylContact O-C 3.57Å; D68-G95 VanDerWaalsContact O-CA 3.24Å; D68-G95 WeakPolarHBondContact O-CA 3.37Å; D68-K96 PolarHBondContact O-N 2.81Å
69K81.6Confident63.6Low14 Ų1468.2 Ų68.26%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-139.1131.6179.2-54.2-69167.2-89.90111E20 L21 S26 V27 C28 Y67 E94 K96 L98E20-K69 VanDerWaalsContact O-CD 3.28Å; E20-K69 WeakPolarHBondContact O-CD 3.32Å; E20-K69 WeakPolarHBondContact O-CE 3.3Å; L21-K69 HydrophobicContact CD1-CG 4.3Å; S26-K69 PolarHBondContact O-N 3.18Å; S26-K69 VanDerWaalsContact O-N 3.08Å; V27-K69 WeakPolarHBondContact CA-O 3.28Å; V27-K69 HydrophobicContact CG2-CB 4.4Å; C28-K69 PolarHBondContact N-O 2.96Å; Y67-K69 VanDerWaalsContact C-N 3.34Å; K69-E94 PolarHBondContact NZ-O 3.07Å; K69-K96 WeakPolarHBondContact CA-O 3.48Å; K69-K96 HydrophobicContact CD-CB 3.82Å; K69-L98 HydrophobicContact CB-CD1 4.26Å; K69-L98 HydrophobicContact CD-CD1 3.81Å; K69-L98 HydrophobicContact CG-CD1 4.49Å
70I83.1Confident66.2Low0 Ų066 Ų660%035%0.346CS..EExtended strand (participates in β ladder)trans-109.7122.1164.3-61.8173.7000106.5C28 I30 L46 Y67 I72 A86 N89 L90 K96 L97 L98C28-I70 HydrophobicContact CB-CG1 4.12Å; C28-I70 CarbonylContact O-C 3.57Å; C28-I70 WeakPolarHBondContact O-CA 3.32Å; I30-I70 HydrophobicContact CD1-CG2 4.21Å; L46-I70 HydrophobicContact CD2-CD1 4.05Å; L46-I70 HydrophobicContact CD2-CG2 4.46Å; Y67-I70 HydrophobicContact CD2-CD1 4.46Å; Y67-I70 HydrophobicContact CD2-CG1 4.22Å; Y67-I70 HydrophobicContact CG-CG1 4.45Å; I70-I72 HydrophobicContact CG2-CG1 4.36Å; I70-A86 HydrophobicContact CD1-CB 3.96Å; I70-N89 HydrophobicContact CD1-CB 4.38Å; I70-L90 HydrophobicContact CB-CD2 4.19Å; I70-L90 HydrophobicContact CD1-CD1 4.42Å; I70-L90 HydrophobicContact CD1-CD2 3.86Å; I70-L90 HydrophobicContact CD1-CG 3.74Å; I70-L90 HydrophobicContact CG1-CD2 3.65Å; I70-L90 HydrophobicContact CG1-CG 4.13Å; I70-K96 PolarHBondContact N-O 3.38Å; I70-L97 HydrophobicContact CB-CD1 3.83Å; I70-L97 HydrophobicContact CG2-CD1 3.67Å; I70-L97 CarbonylContact O-C 3.55Å; I70-L97 WeakPolarHBondContact O-CA 3.49Å; I70-L98 PolarHBondContact O-N 2.91Å
71I81.1Confident68.8Low2 Ų261.8 Ų61.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-111.2130.8-179.4-57.3163.6000108.1I11 I15 V27 C28 F29 I30 L98 I100I11-I71 HydrophobicContact CG2-CG2 4.37Å; I15-I71 HydrophobicContact CD1-CB 4.31Å; I15-I71 HydrophobicContact CD1-CD1 3.41Å; I15-I71 VanDerWaalsContact CD1-CD1 3.41Å; I15-I71 HydrophobicContact CD1-CG1 3.75Å; I15-I71 HydrophobicContact CD1-CG2 3.58Å; V27-I71 HydrophobicContact CG1-CD1 3.41Å; V27-I71 VanDerWaalsContact CG1-CD1 3.41Å; V27-I71 HydrophobicContact CG1-CG1 4.11Å; C28-I71 PolarHBondContact O-N 3.15Å; F29-I71 CarbonylContact C-O 3.52Å; F29-I71 WeakPolarHBondContact CA-O 3.37Å; F29-I71 HydrophobicContact CD2-CB 3.8Å; F29-I71 HydrophobicContact CD2-CD1 4.26Å; F29-I71 HydrophobicContact CD2-CG2 3.66Å; F29-I71 HydrophobicContact CE2-CB 4.26Å; F29-I71 HydrophobicContact CE2-CG2 3.59Å; I30-I71 PolarHBondContact N-O 3.13Å; I71-L98 CarbonylContact C-O 3.4Å; I71-L98 WeakPolarHBondContact CA-O 3.22Å; I71-L98 HydrophobicContact CG1-CB 4.35Å; I71-I100 HydrophobicContact CG2-CD1 4.44Å
72I81.5Confident71.4Confident0 Ų055.1 Ų55.10%029%0.288CS..EExtended strand (participates in β ladder)trans-121.3124.7179.3-61-171.4000107.6I30 I70 C75 L78 F82 L97 L98 I99 I100I30-I72 HydrophobicContact CB-CG1 4.41Å; I30-I72 HydrophobicContact CD1-CG1 4.44Å; I30-I72 WeakPolarHBondContact O-CA 3.41Å; I70-I72 HydrophobicContact CG2-CG1 4.36Å; I72-C75 HydrophobicContact CG2-CB 3.46Å; I72-C75 VanDerWaalsContact CG2-CB 3.46Å; I72-C75 VanDerWaalsContact CG2-SG 3.51Å; I72-L78 HydrophobicContact CD1-CD1 3.7Å; I72-L78 HydrophobicContact CG2-CD1 3.78Å; I72-F82 HydrophobicContact CD1-CD1 4.44Å; I72-F82 HydrophobicContact CD1-CE1 3.29Å; I72-F82 HydrophobicContact CD1-CZ 3.52Å; I72-L97 HydrophobicContact CD1-CD1 3.68Å; I72-L97 HydrophobicContact CG1-CD1 3.95Å; I72-L98 PolarHBondContact N-O 3.3Å; I72-I99 HydrophobicContact CB-CB 4.5Å; I72-I99 HydrophobicContact CB-CG1 4.07Å; I72-I99 HydrophobicContact CD1-CG1 4.27Å; I72-I99 HydrophobicContact CG1-CG1 4.5Å; I72-I99 HydrophobicContact CG2-CG2 4.42Å; I72-I99 CarbonylContact O-C 3.55Å; I72-I99 WeakPolarHBondContact O-CA 3.49Å; I72-I100 PolarHBondContact O-N 2.94Å
73Y77.3Confident74Confident9 Ų949.6 Ų49.64%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-122.8124.3178.8-179.6-108.8000110.9Y7 I11 F29 I30 E31 R32 C75 I100 K102Y7-Y73 HydrophobicContact CD1-CE1 4.38Å; Y7-Y73 WeakPolarHBondContact CD1-OH 3.47Å; Y7-Y73 AromaticContact CE1-CZ 3.96Å; Y7-Y73 WeakPolarHBondContact CE1-OH 3.23Å; I11-Y73 HydrophobicContact CD1-CD1 3.76Å; I11-Y73 HydrophobicContact CD1-CD2 3.44Å; I11-Y73 VanDerWaalsContact CD1-CD2 3.44Å; I11-Y73 HydrophobicContact CD1-CE1 3.88Å; I11-Y73 HydrophobicContact CD1-CE2 3.61Å; I11-Y73 HydrophobicContact CD1-CG 3.51Å; I11-Y73 HydrophobicContact CG1-CD2 4.06Å; I11-Y73 HydrophobicContact CG1-CE2 4.07Å; F29-Y73 HydrophobicContact CZ-CG 4.28Å; I30-Y73 PolarHBondContact O-N 3Å; E31-Y73 HydrophobicContact CG-CD1 3.87Å; R32-Y73 PolarHBondContact N-O 3.15Å; Y73-C75 PolarHBondContact O-N 3.41Å; Y73-C75 VanDerWaalsContact O-N 3.13Å; Y73-I100 WeakPolarHBondContact CA-O 3.49Å; Y73-I100 HydrophobicContact CD2-CB 3.92Å; Y73-I100 HydrophobicContact CD2-CG2 3.72Å; Y73-I100 HydrophobicContact CE2-CG2 3.94Å; Y73-K102 WeakPolarHBondContact OH-CE 3.32Å
74E72.4Confident76.1Confident26 Ų2641.8 Ų41.812%0.12123%0.231CC..SBendtrans55.827.8175.2-75.6-66.497.200115.1R32 I100 K101 K102R32-E74 HydrophobicContact CB-CB 4.26Å; R32-E74 HydrophobicContact CG-CB 4.33Å; E74-I100 PolarHBondContact N-O 3.34Å; E74-K101 WeakPolarHBondContact OE1-CA 3.48Å; E74-K102 HydrophobicContact CG-CD 3.93Å; E74-K102 HydrophobicContact CG-CG 4.05Å; E74-K102 WeakPolarHBondContact OE1-CA 3.19Å; E74-K102 VanDerWaalsContact OE1-CB 3.24Å; E74-K102 WeakPolarHBondContact OE1-CB 3.37Å; E74-K102 WeakPolarHBondContact OE1-CG 3.39Å; E74-K102 PolarHBondContact OE1-N 2.57Å
75C65.7Low77.6Confident18 Ų1838.8 Ų38.812%0.12222%0.215CC..  trans-80.7134.8176.1-680000111.7I72 Y73 L78I72-C75 HydrophobicContact CG2-CB 3.46Å; I72-C75 VanDerWaalsContact CG2-CB 3.46Å; I72-C75 VanDerWaalsContact CG2-SG 3.51Å; Y73-C75 PolarHBondContact O-N 3.41Å; Y73-C75 VanDerWaalsContact O-N 3.13Å; C75-L78 HydrophobicContact CB-CD1 3.79Å; C75-L78 HydrophobicContact CB-CD2 4.37Å; C75-L78 HydrophobicContact CB-CG 3.97Å
76V62.3Low78.7Confident96 Ų9633.2 Ų33.258%0.58219%0.185SC*.  trans-115.2145.3176.7-175.90000108.5L78V76-L78 PolarHBondContact O-N 3.04Å
77G65.5Low79.3Confident52 Ų5232.7 Ų32.754%0.53618%0.18SC..SBendtrans78.314.6173.900000115.4K79G77-K79 PolarHBondContact O-N 3.25Å
78L74.3Confident79.7Confident20 Ų2039.8 Ų39.811%0.10521%0.211CC..  trans-62.9128.6170.3-65.4179.6000110.2L35 I72 C75 V76 F82 F83L35-L78 HydrophobicContact CB-CD2 4.43Å; L35-L78 HydrophobicContact CD1-CD2 3.33Å; L35-L78 HydrophobicContact CG-CD2 4.49Å; I72-L78 HydrophobicContact CD1-CD1 3.7Å; I72-L78 HydrophobicContact CG2-CD1 3.78Å; C75-L78 HydrophobicContact CB-CD1 3.79Å; C75-L78 HydrophobicContact CB-CD2 4.37Å; C75-L78 HydrophobicContact CB-CG 3.97Å; V76-L78 PolarHBondContact O-N 3.04Å; L78-F82 HydrophobicContact CB-CD1 4.48Å; L78-F82 HydrophobicContact CD1-CD1 4.27Å; L78-F82 HydrophobicContact CD1-CE1 4.19Å; L78-F82 HydrophobicContact CD2-CB 4.39Å; L78-F82 HydrophobicContact CD2-CD1 3.81Å; L78-F82 HydrophobicContact CD2-CD2 3.95Å; L78-F82 HydrophobicContact CD2-CE1 4.11Å; L78-F82 HydrophobicContact CD2-CE2 4.2Å; L78-F82 HydrophobicContact CD2-CG 3.76Å; L78-F82 HydrophobicContact CD2-CZ 4.29Å; L78-F82 HydrophobicContact CG-CD1 4.43Å; L78-F83 HydrophobicContact CB-CE1 4.25Å; L78-F83 HydrophobicContact CB-CE2 4.26Å; L78-F83 HydrophobicContact CB-CZ 3.66Å; L78-F83 HydrophobicContact CD1-CE1 4.05Å; L78-F83 HydrophobicContact CD1-CZ 4.12Å
79K76Confident79.8Confident109 Ų10939.6 Ų39.647%0.47421%0.21SC..  trans-109166.6179.6-60.9-176.8-179.91730111.2G77 E81 F82 F83G77-K79 PolarHBondContact O-N 3.25Å; K79-E81 WeakPolarHBondContact CB-OE2 3.48Å; K79-E81 PolarHBondContact O-N 3.19Å; K79-E81 VanDerWaalsContact O-N 3.08Å; K79-F82 WeakPolarHBondContact O-CB 3.31Å; K79-F82 PolarHBondContact O-N 2.82Å; K79-F83 WeakPolarHBondContact O-CD2 3.41Å; K79-F83 PolarHBondContact O-N 2.78Å
80K82.3Confident80Confident91 Ų9139 Ų3940%0.39621%0.207SC..Hα-helixtrans-47.1-37.7175.7-178.3179.4174.9174.40113.9F82 F83 G84 D128 D131 A132K80-F82 VanDerWaalsContact C-N 3.33Å; K80-F82 PolarHBondContact O-N 3.01Å; K80-F83 PolarHBondContact O-N 2.96Å; K80-G84 PolarHBondContact O-N 3.27Å; K80-D128 HydrophobicContact CB-CB 4.31Å; K80-D131 HydrophobicContact CD-CB 3.95Å; K80-D131 VanDerWaalsContact CE-O 3.31Å; K80-D131 WeakPolarHBondContact CE-O 3.49Å; K80-A132 HydrophobicContact CG-CB 4.41Å
81E83.3Confident79.8Confident99 Ų9942.4 Ų42.446%0.46322%0.223SC..Hα-helixtrans-60.3-44.5178.9-62.876.3-166.300111.3K79 F83 G84 H85K79-E81 WeakPolarHBondContact CB-OE2 3.48Å; K79-E81 PolarHBondContact O-N 3.19Å; K79-E81 VanDerWaalsContact O-N 3.08Å; E81-F83 VanDerWaalsContact C-N 3.34Å; E81-F83 PolarHBondContact O-N 2.69Å; E81-G84 PolarHBondContact O-N 2.81Å; E81-H85 PolarHBondContact O-CD2 3.23Å; E81-H85 PolarHBondContact O-N 2.76Å
82F86.1Confident79.3Confident6 Ų650.6 Ų50.63%0.02626%0.259CS..Hα-helixtrans-59.2-46.7176.5172-83.9000110.9I30 L35 I42 I72 L78 K79 K80 G84 H85 A86I30-F82 HydrophobicContact CD1-CE2 3.98Å; I30-F82 HydrophobicContact CD1-CZ 3.7Å; L35-F82 HydrophobicContact CD1-CD2 4.38Å; L35-F82 HydrophobicContact CD1-CE2 4.16Å; I42-F82 HydrophobicContact CD1-CB 4.08Å; I42-F82 HydrophobicContact CD1-CD2 4.33Å; I42-F82 HydrophobicContact CG1-CD2 4.1Å; I42-F82 HydrophobicContact CG2-CD2 3.72Å; I42-F82 HydrophobicContact CG2-CE2 4.13Å; I72-F82 HydrophobicContact CD1-CD1 4.44Å; I72-F82 HydrophobicContact CD1-CE1 3.29Å; I72-F82 HydrophobicContact CD1-CZ 3.52Å; L78-F82 HydrophobicContact CB-CD1 4.48Å; L78-F82 HydrophobicContact CD1-CD1 4.27Å; L78-F82 HydrophobicContact CD1-CE1 4.19Å; L78-F82 HydrophobicContact CD2-CB 4.39Å; L78-F82 HydrophobicContact CD2-CD1 3.81Å; L78-F82 HydrophobicContact CD2-CD2 3.95Å; L78-F82 HydrophobicContact CD2-CE1 4.11Å; L78-F82 HydrophobicContact CD2-CE2 4.2Å; L78-F82 HydrophobicContact CD2-CG 3.76Å; L78-F82 HydrophobicContact CD2-CZ 4.29Å; L78-F82 HydrophobicContact CG-CD1 4.43Å; K79-F82 WeakPolarHBondContact O-CB 3.31Å; K79-F82 PolarHBondContact O-N 2.82Å; K80-F82 VanDerWaalsContact C-N 3.33Å; K80-F82 PolarHBondContact O-N 3.01Å; F82-G84 VanDerWaalsContact C-N 3.31Å; F82-G84 PolarHBondContact O-N 2.77Å; F82-H85 CarbonylContact O-C 3.56Å; F82-H85 WeakPolarHBondContact O-CA 3.36Å; F82-H85 WeakPolarHBondContact O-CB 3.3Å; F82-H85 PolarHBondContact O-N 3.03Å; F82-A86 HydrophobicContact CE1-CB 4.21Å; F82-A86 PolarHBondContact O-N 3.27Å
83F88.1Confident78.6Confident0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-63.8-38178.5-60.3-51000111.8L78 K79 K80 E81 H85 A86 L87 L97 I99 L125 D128 L129 A132 F134L78-F83 HydrophobicContact CB-CE1 4.25Å; L78-F83 HydrophobicContact CB-CE2 4.26Å; L78-F83 HydrophobicContact CB-CZ 3.66Å; L78-F83 HydrophobicContact CD1-CE1 4.05Å; L78-F83 HydrophobicContact CD1-CZ 4.12Å; K79-F83 WeakPolarHBondContact O-CD2 3.41Å; K79-F83 PolarHBondContact O-N 2.78Å; K80-F83 PolarHBondContact O-N 2.96Å; E81-F83 VanDerWaalsContact C-N 3.34Å; E81-F83 PolarHBondContact O-N 2.69Å; F83-H85 VanDerWaalsContact C-N 3.28Å; F83-H85 PolarHBondContact O-N 3.31Å; F83-A86 PolarHBondContact O-N 2.83Å; F83-L87 WeakPolarHBondContact O-CB 3.29Å; F83-L87 PolarHBondContact O-N 2.86Å; F83-L97 HydrophobicContact CD1-CD2 3.7Å; F83-L97 HydrophobicContact CE1-CD2 4.11Å; F83-I99 HydrophobicContact CE1-CD1 3.94Å; F83-I99 HydrophobicContact CZ-CD1 4.41Å; F83-L125 HydrophobicContact CE1-CD1 4.39Å; F83-L125 HydrophobicContact CE2-CD1 3.9Å; F83-L125 HydrophobicContact CZ-CD1 3.41Å; F83-L125 VanDerWaalsContact CZ-CD1 3.41Å; F83-D128 HydrophobicContact CD2-CB 3.81Å; F83-D128 HydrophobicContact CE2-CB 3.77Å; F83-L129 HydrophobicContact CB-CD2 4.43Å; F83-L129 HydrophobicContact CD1-CD2 3.51Å; F83-L129 HydrophobicContact CD1-CG 4.35Å; F83-L129 HydrophobicContact CD2-CD2 4.21Å; F83-L129 HydrophobicContact CD2-CG 4.3Å; F83-L129 HydrophobicContact CE1-CD2 3.74Å; F83-L129 HydrophobicContact CE1-CG 4.31Å; F83-L129 HydrophobicContact CE2-CD2 4.41Å; F83-L129 HydrophobicContact CE2-CG 4.25Å; F83-L129 HydrophobicContact CG-CD2 3.79Å; F83-L129 HydrophobicContact CG-CG 4.37Å; F83-L129 HydrophobicContact CZ-CD2 4.2Å; F83-L129 HydrophobicContact CZ-CG 4.27Å; F83-A132 HydrophobicContact CB-CB 3.44Å; F83-A132 VanDerWaalsContact CB-CB 3.44Å; F83-F134 HydrophobicContact CB-CD2 4.49Å; F83-F134 HydrophobicContact CB-CE2 4.05Å; F83-F134 WeakPolarHBondContact O-CE2 3.43Å
84G87.1Confident78.5Confident22 Ų2259.6 Ų59.623%0.22731%0.312CS..Hα-helixtrans-62.4-34.2172.500000113.3K80 E81 F82 K88K80-G84 PolarHBondContact O-N 3.27Å; E81-G84 PolarHBondContact O-N 2.81Å; F82-G84 VanDerWaalsContact C-N 3.31Å; F82-G84 PolarHBondContact O-N 2.77Å; G84-K88 WeakPolarHBondContact O-CG 3.36Å; G84-K88 PolarHBondContact O-N 3.28Å
85H84.3Confident79Confident30 Ų3058.4 Ų58.414%0.13931%0.306CS..Hα-helixtrans-73.2-43172.9-84-86.9000112.2I42 E81 F82 F83 L87 K88 N89I42-H85 HydrophobicContact CG2-CB 3.75Å; E81-H85 PolarHBondContact O-CD2 3.23Å; E81-H85 PolarHBondContact O-N 2.76Å; F82-H85 CarbonylContact O-C 3.56Å; F82-H85 WeakPolarHBondContact O-CA 3.36Å; F82-H85 WeakPolarHBondContact O-CB 3.3Å; F82-H85 PolarHBondContact O-N 3.03Å; F83-H85 VanDerWaalsContact C-N 3.28Å; F83-H85 PolarHBondContact O-N 3.31Å; H85-L87 VanDerWaalsContact C-N 3.3Å; H85-L87 PolarHBondContact O-N 3.42Å; H85-K88 PolarHBondContact O-N 2.8Å; H85-N89 PolarHBondContact O-N 3.06Å; H85-N89 PolarHBondContact O-ND2 3.28Å
86A86.4Confident80Confident0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-57.7-44.8174.700000110.7I70 F82 F83 K88 N89 L90 L97I70-A86 HydrophobicContact CD1-CB 3.96Å; F82-A86 HydrophobicContact CE1-CB 4.21Å; F82-A86 PolarHBondContact O-N 3.27Å; F83-A86 PolarHBondContact O-N 2.83Å; A86-K88 VanDerWaalsContact C-N 3.27Å; A86-K88 PolarHBondContact O-N 3.39Å; A86-N89 CarbonylContact O-C 3.5Å; A86-N89 PolarHBondContact O-N 2.8Å; A86-L90 WeakPolarHBondContact O-CG 2.99Å; A86-L90 PolarHBondContact O-N 2.77Å; A86-L97 HydrophobicContact CB-CD2 4.49Å
87L88.4Confident81.2Confident46 Ų4655.3 Ų55.324%0.24128%0.283CS..Hα-helixtrans-58-37.6177.8-173.863.1000112.8F83 H85 N89 L90 A132 F134 P194F83-L87 WeakPolarHBondContact O-CB 3.29Å; F83-L87 PolarHBondContact O-N 2.86Å; H85-L87 VanDerWaalsContact C-N 3.3Å; H85-L87 PolarHBondContact O-N 3.42Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.06Å; L87-L90 PolarHBondContact O-N 3Å; L87-A132 WeakPolarHBondContact CD2-O 3.04Å; L87-F134 HydrophobicContact CB-CE1 4.44Å; L87-F134 HydrophobicContact CB-CE2 3.83Å; L87-F134 HydrophobicContact CB-CZ 3.61Å; L87-F134 HydrophobicContact CD1-CD1 4.2Å; L87-F134 HydrophobicContact CD1-CE1 3.68Å; L87-F134 HydrophobicContact CD1-CE2 4.25Å; L87-F134 HydrophobicContact CD1-CZ 3.72Å; L87-F134 HydrophobicContact CG-CE2 4.5Å; L87-F134 HydrophobicContact CG-CZ 4.24Å; L87-P194 HydrophobicContact CD1-CB 3.69Å; L87-P194 HydrophobicContact CD1-CG 3.77Å
88K85.5Confident82.2Confident157 Ų15752.8 Ų52.868%0.68326%0.257SS*.Hα-helixtrans-70.8-25.6177.1-70.5173.7-176.3-179.60113.5G84 H85 A86G84-K88 WeakPolarHBondContact O-CG 3.36Å; G84-K88 PolarHBondContact O-N 3.28Å; H85-K88 PolarHBondContact O-N 2.8Å; A86-K88 VanDerWaalsContact C-N 3.27Å; A86-K88 PolarHBondContact O-N 3.39Å
89N84.1Confident82.7Confident34 Ų3452.2 Ų52.218%0.18225%0.254CS..THydrogen-bonded Turntrans-10110.6-179.7-67.3-95000111.7L46 N65 V66 Y67 I70 H85 A86 L87L46-N89 HydrophobicContact CD1-CB 4.22Å; N65-N89 WeakPolarHBondContact O-CA 3.43Å; N65-N89 PolarHBondContact O-OD1 2.82Å; N65-N89 VanDerWaalsContact O-OD1 3.07Å; V66-N89 CarbonylContact C-O 3.47Å; V66-N89 WeakPolarHBondContact CA-O 3.2Å; Y67-N89 HydrophobicContact CD2-CB 4.36Å; Y67-N89 PolarHBondContact N-O 2.96Å; I70-N89 HydrophobicContact CD1-CB 4.38Å; H85-N89 PolarHBondContact O-N 3.06Å; H85-N89 PolarHBondContact O-ND2 3.28Å; A86-N89 CarbonylContact O-C 3.5Å; A86-N89 PolarHBondContact O-N 2.8Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.06Å
90L86Confident82.9Confident3 Ų347 Ų472%0.01623%0.232CC..BIsolated β-bridgetrans-101.6145.9172.2-79.7171000110.5V66 Y67 I70 A86 L87 K92 K96 L97 F134V66-L90 VanDerWaalsContact CG1-C 3.41Å; Y67-L90 CarbonylContact O-C 3.52Å; Y67-L90 WeakPolarHBondContact O-CA 3.33Å; I70-L90 HydrophobicContact CB-CD2 4.19Å; I70-L90 HydrophobicContact CD1-CD1 4.42Å; I70-L90 HydrophobicContact CD1-CD2 3.86Å; I70-L90 HydrophobicContact CD1-CG 3.74Å; I70-L90 HydrophobicContact CG1-CD2 3.65Å; I70-L90 HydrophobicContact CG1-CG 4.13Å; A86-L90 WeakPolarHBondContact O-CG 2.99Å; A86-L90 PolarHBondContact O-N 2.77Å; L87-L90 PolarHBondContact O-N 3Å; L90-K92 PolarHBondContact O-N 2.74Å; L90-K96 WeakPolarHBondContact CD2-O 3.41Å; L90-L97 HydrophobicContact CD1-CB 3.99Å; L90-F134 HydrophobicContact CD1-CE1 3.63Å; L90-F134 HydrophobicContact CD1-CZ 3.95Å
91E77.3Confident82.6Confident70 Ų7045 Ų4533%0.32722%0.223SC..  trans-58.9129.7169.9-161.5-154.8-179.400109V66 Y67 A93 E94 G95V66-E91 VanDerWaalsContact CG1-CA 3.42Å; V66-E91 HydrophobicContact CG1-CB 4Å; Y67-E91 PolarHBondContact O-N 3.42Å; E91-A93 VanDerWaalsContact C-N 3.3Å; E91-A93 PolarHBondContact O-N 2.77Å; E91-E94 WeakPolarHBondContact OE2-CB 3.32Å; E91-G95 WeakPolarHBondContact O-CA 3.4Å; E91-G95 PolarHBondContact O-N 3.24Å
92K71.1Confident82Confident175 Ų17542 Ų4276%0.76121%0.208SC*.THydrogen-bonded Turntrans-66.5-31.6-167.1-70.3-177.2178.1178.30113.6L90 L196L90-K92 PolarHBondContact O-N 2.74Å; K92-L196 WeakPolarHBondContact O-CD2 3.49Å
93A68.1Low81Confident63 Ų6343.8 Ų43.852%0.52122%0.218SC..THydrogen-bonded Turntrans-92.8-43.2-173.700000112.7E91E91-A93 VanDerWaalsContact C-N 3.3Å; E91-A93 PolarHBondContact O-N 2.77Å
94E74.8Confident79.4Confident135 Ų13550.5 Ų50.563%0.63125%0.249SC*.THydrogen-bonded Turntrans-125.90.2-172.3-50-167.7163.500113.6K69 E91 K96K69-E94 PolarHBondContact NZ-O 3.07Å; E91-E94 WeakPolarHBondContact OE2-CB 3.32Å; E94-K96 PolarHBondContact O-N 2.8Å
95G81.7Confident77.5Confident0 Ų053.9 Ų53.90%026%0.262CS..  trans-61.3135.3178.400000111D68 E91 P194D68-G95 CarbonylContact O-C 3.57Å; D68-G95 VanDerWaalsContact O-CA 3.24Å; D68-G95 WeakPolarHBondContact O-CA 3.37Å; E91-G95 WeakPolarHBondContact O-CA 3.4Å; E91-G95 PolarHBondContact O-N 3.24Å; G95-P194 WeakPolarHBondContact O-CD 3.18Å
96K86.4Confident75.5Confident49 Ų4956 Ų5621%0.21327%0.269CS..EExtended strand (participates in β ladder)trans-130.6138.9175.7-66.5172.6178178.50111.9E20 D68 K69 I70 L90 E94 L98 I191 A192E20-K96 IonicContact OE1-NZ 2.75Å; E20-K96 PolarHBondContact OE1-NZ 2.85Å; E20-K96 WeakPolarHBondContact OE2-CD 3.22Å; E20-K96 VanDerWaalsContact OE2-CE 3.27Å; E20-K96 WeakPolarHBondContact OE2-CE 2.9Å; E20-K96 IonicContact OE2-NZ 2.57Å; E20-K96 PolarHBondContact OE2-NZ 3.43Å; D68-K96 PolarHBondContact O-N 2.81Å; K69-K96 WeakPolarHBondContact CA-O 3.48Å; K69-K96 HydrophobicContact CD-CB 3.82Å; I70-K96 PolarHBondContact N-O 3.38Å; L90-K96 WeakPolarHBondContact CD2-O 3.41Å; E94-K96 PolarHBondContact O-N 2.8Å; K96-L98 HydrophobicContact CB-CD1 3.98Å; K96-I191 HydrophobicContact CB-CG2 4.4Å; K96-I191 HydrophobicContact CD-CG2 3.89Å; K96-I191 HydrophobicContact CG-CG2 4.34Å; K96-A192 WeakPolarHBondContact CA-O 2.89Å
97L88.5Confident73.1Confident0 Ų058.4 Ų58.40%028%0.281CS..EExtended strand (participates in β ladder)trans-94.1119.4166.3177.662000108.3I70 I72 F83 A86 L90 I99 L129 F134 A192I70-L97 HydrophobicContact CB-CD1 3.83Å; I70-L97 HydrophobicContact CG2-CD1 3.67Å; I70-L97 CarbonylContact O-C 3.55Å; I70-L97 WeakPolarHBondContact O-CA 3.49Å; I72-L97 HydrophobicContact CD1-CD1 3.68Å; I72-L97 HydrophobicContact CG1-CD1 3.95Å; F83-L97 HydrophobicContact CD1-CD2 3.7Å; F83-L97 HydrophobicContact CE1-CD2 4.11Å; A86-L97 HydrophobicContact CB-CD2 4.49Å; L90-L97 HydrophobicContact CD1-CB 3.99Å; L97-I99 HydrophobicContact CD2-CD1 4.22Å; L97-I99 HydrophobicContact CG-CD1 4.4Å; L97-I99 HydrophobicContact CG-CG1 4.22Å; L97-L129 HydrophobicContact CD2-CD2 3.68Å; L97-F134 HydrophobicContact CB-CE1 4.03Å; L97-F134 HydrophobicContact CB-CZ 4.33Å; L97-F134 HydrophobicContact CD2-CE1 4.49Å; L97-F134 HydrophobicContact CD2-CE2 4.29Å; L97-F134 HydrophobicContact CD2-CZ 4.1Å; L97-A192 HydrophobicContact CB-CB 4Å; L97-A192 HydrophobicContact CD2-CB 4.43Å; L97-A192 HydrophobicContact CG-CB 4.49Å; L97-A192 PolarHBondContact N-O 3.01Å; L97-A192 PolarHBondContact O-N 2.75Å
98L86.3Confident70.4Confident0 Ų057.9 Ų57.90%029%0.287CS..EExtended strand (participates in β ladder)trans-107.6124.9175.8-67.891.7000108.9I15 E20 K69 I70 I71 I72 K96 I190 I191I15-L98 HydrophobicContact CB-CD2 4.31Å; I15-L98 HydrophobicContact CD1-CD2 4.37Å; I15-L98 HydrophobicContact CG1-CD2 3.95Å; I15-L98 HydrophobicContact CG2-CD2 3.52Å; E20-L98 HydrophobicContact CB-CD2 4.03Å; E20-L98 HydrophobicContact CG-CD2 4.45Å; K69-L98 HydrophobicContact CB-CD1 4.26Å; K69-L98 HydrophobicContact CD-CD1 3.81Å; K69-L98 HydrophobicContact CG-CD1 4.49Å; I70-L98 PolarHBondContact O-N 2.91Å; I71-L98 CarbonylContact C-O 3.4Å; I71-L98 WeakPolarHBondContact CA-O 3.22Å; I71-L98 HydrophobicContact CG1-CB 4.35Å; I72-L98 PolarHBondContact N-O 3.3Å; K96-L98 HydrophobicContact CB-CD1 3.98Å; L98-I190 CarbonylContact C-O 3.6Å; L98-I190 VanDerWaalsContact CA-O 3.32Å; L98-I190 WeakPolarHBondContact CA-O 3.5Å; L98-I191 HydrophobicContact CD2-CG1 4.37Å; L98-I191 HydrophobicContact CG-CG1 4.39Å
99I84.7Confident68Low8 Ų862 Ų624%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-116.8124.6175-58.4159.9000107.9I72 F83 L97 L125 L129 I189 I190I72-I99 HydrophobicContact CB-CB 4.5Å; I72-I99 HydrophobicContact CB-CG1 4.07Å; I72-I99 HydrophobicContact CD1-CG1 4.27Å; I72-I99 HydrophobicContact CG1-CG1 4.5Å; I72-I99 HydrophobicContact CG2-CG2 4.42Å; I72-I99 CarbonylContact O-C 3.55Å; I72-I99 WeakPolarHBondContact O-CA 3.49Å; F83-I99 HydrophobicContact CE1-CD1 3.94Å; F83-I99 HydrophobicContact CZ-CD1 4.41Å; L97-I99 HydrophobicContact CD2-CD1 4.22Å; L97-I99 HydrophobicContact CG-CD1 4.4Å; L97-I99 HydrophobicContact CG-CG1 4.22Å; I99-L125 HydrophobicContact CD1-CD1 4.27Å; I99-L129 HydrophobicContact CD1-CD1 3.88Å; I99-L129 HydrophobicContact CD1-CD2 4.07Å; I99-L129 HydrophobicContact CD1-CG 4.44Å; I99-I189 CarbonylContact O-C 3.53Å; I99-I189 WeakPolarHBondContact O-CA 3.14Å; I99-I190 HydrophobicContact CB-CB 4.16Å; I99-I190 HydrophobicContact CB-CD1 4.41Å; I99-I190 HydrophobicContact CG2-CD1 4.44Å; I99-I190 PolarHBondContact N-O 3.48Å; I99-I190 PolarHBondContact O-N 2.64Å
100I79.7Confident65.9Low0 Ų063 Ų630%030%0.301CS..EExtended strand (participates in β ladder)trans-118.7116.6178.4-59.2169.4000107I11 I15 I71 I72 Y73 E74 L187 L188 I189I11-I100 HydrophobicContact CG2-CD1 3.53Å; I15-I100 HydrophobicContact CD1-CD1 3.83Å; I15-I100 HydrophobicContact CG1-CD1 3.86Å; I71-I100 HydrophobicContact CG2-CD1 4.44Å; I72-I100 PolarHBondContact O-N 2.94Å; Y73-I100 WeakPolarHBondContact CA-O 3.49Å; Y73-I100 HydrophobicContact CD2-CB 3.92Å; Y73-I100 HydrophobicContact CD2-CG2 3.72Å; Y73-I100 HydrophobicContact CE2-CG2 3.94Å; E74-I100 PolarHBondContact N-O 3.34Å; I100-L187 HydrophobicContact CG2-CB 4.43Å; I100-L187 HydrophobicContact CG2-CD1 4.34Å; I100-L188 WeakPolarHBondContact CA-O 3.28Å; I100-I189 HydrophobicContact CG1-CG1 4.43Å
101K77.1Confident64Low47 Ų4766.3 Ų66.320%0.20432%0.318CS..EExtended strand (participates in β ladder)trans-125.3126-179.8-176.5-178.1168.895.20109.1E74 L103 E121 L188E74-K101 WeakPolarHBondContact OE1-CA 3.48Å; K101-L103 PolarHBondContact O-N 3.05Å; K101-E121 IonicContact NZ-OE2 3.49Å; K101-E121 PolarHBondContact NZ-OE2 3.36Å; K101-L188 PolarHBondContact N-O 3.24Å; K101-L188 PolarHBondContact O-N 3.42Å
102K71Confident62.7Low38 Ų3869.1 Ų69.117%0.16534%0.335CS..EExtended strand (participates in β ladder)trans-61.8126164.8-64.7174.6172.3-127.10108.8Y7 Y73 E74 Q104 E185 L187Y7-K102 PolarHBondContact OH-NZ 3.23Å; Y73-K102 WeakPolarHBondContact OH-CE 3.32Å; E74-K102 HydrophobicContact CG-CD 3.93Å; E74-K102 HydrophobicContact CG-CG 4.05Å; E74-K102 WeakPolarHBondContact OE1-CA 3.19Å; E74-K102 VanDerWaalsContact OE1-CB 3.24Å; E74-K102 WeakPolarHBondContact OE1-CB 3.37Å; E74-K102 WeakPolarHBondContact OE1-CG 3.39Å; E74-K102 PolarHBondContact OE1-N 2.57Å; K102-Q104 PolarHBondContact O-N 3.39Å; K102-E185 WeakPolarHBondContact CD-OE1 3.46Å; K102-E185 VanDerWaalsContact CE-OE1 3.28Å; K102-E185 WeakPolarHBondContact CE-OE1 3.44Å; K102-E185 IonicContact NZ-OE1 2.68Å; K102-E185 PolarHBondContact NZ-OE1 3.02Å; K102-E185 IonicContact NZ-OE2 2.95Å; K102-E185 PolarHBondContact NZ-OE2 3.05Å; K102-L187 HydrophobicContact CB-CD2 4.31Å; K102-L187 HydrophobicContact CG-CD2 3.63Å
103L64.9Low61.9Low42 Ų4267.6 Ų67.622%0.2233%0.331CS..  trans-80.7101.3167.2-61.8179.3000106.7K101 V140 Q186 L188K101-L103 PolarHBondContact O-N 3.05Å; L103-V140 HydrophobicContact CD1-CG1 4.01Å; L103-V140 HydrophobicContact CD1-CG2 4.22Å; L103-Q186 HydrophobicContact CB-CB 4.06Å; L103-Q186 HydrophobicContact CD1-CB 4.19Å; L103-Q186 PolarHBondContact N-O 2.94Å; L103-L188 HydrophobicContact CD1-CB 4.31Å; L103-L188 HydrophobicContact CD2-CB 3.88Å; L103-L188 HydrophobicContact CD2-CD2 4.48Å; L103-L188 HydrophobicContact CG-CB 4.06Å
104Q53.8Low61.1Low141 Ų14168.5 Ų68.566%0.65933%0.325SS*.  trans-63.3143.1-179.1-69.1-174.1-7.300111.4K102 F110K102-Q104 PolarHBondContact O-N 3.39Å; Q104-F110 WeakPolarHBondContact O-CZ 3.09Å
105N47.6Very low60.1Low93 Ų9363.9 Ų63.950%0.49731%0.307SS..  trans77.480.5164.8-59.5-19.6000118.7F110N105-F110 WeakPolarHBondContact O-CE2 3.4Å; N105-F110 VanDerWaalsContact O-CZ 3.24Å; N105-F110 WeakPolarHBondContact O-CZ 3.27Å
106W41.3Very low59Low74 Ų7470 Ų7028%0.2834%0.335SS..SBendtrans-104.1-0166.4-86.452.1000114.8G108 F110 Q186 I253 I256W106-G108 VanDerWaalsContact C-N 3.34Å; W106-F110 AromaticContact CD1-CE2 3.79Å; W106-F110 AromaticContact NE1-CE2 3.63Å; W106-F110 AromaticContact NE1-CZ 3.93Å; W106-Q186 HydrophobicContact CD2-CG 4.25Å; W106-Q186 HydrophobicContact CZ2-CG 4.3Å; W106-Q186 VanDerWaalsContact CZ2-NE2 3.28Å; W106-Q186 VanDerWaalsContact NE1-OE1 3.16Å; W106-I253 HydrophobicContact CH2-CG2 4.47Å; W106-I253 HydrophobicContact CZ2-CG1 4.07Å; W106-I253 HydrophobicContact CZ2-CG2 4.49Å; W106-I256 HydrophobicContact CE3-CG2 4.03Å; W106-I256 HydrophobicContact CH2-CB 3.86Å; W106-I256 HydrophobicContact CH2-CD1 3.23Å; W106-I256 HydrophobicContact CH2-CG1 3.87Å; W106-I256 HydrophobicContact CH2-CG2 3.79Å; W106-I256 HydrophobicContact CZ2-CD1 4.43Å; W106-I256 HydrophobicContact CZ3-CB 3.69Å; W106-I256 HydrophobicContact CZ3-CD1 3.47Å; W106-I256 VanDerWaalsContact CZ3-CD1 3.47Å; W106-I256 HydrophobicContact CZ3-CG1 3.67Å; W106-I256 HydrophobicContact CZ3-CG2 3.17Å
107I36.3Very low57.8Low52 Ų5272.4 Ų72.427%0.26735%0.348SS..SBendtrans-93.14178.9-27.7171.7000112.5V156 L163 M167 M183I107-V156 HydrophobicContact CB-CG2 4.32Å; I107-V156 HydrophobicContact CD1-CG2 3.99Å; I107-V156 HydrophobicContact CG2-CG1 4.48Å; I107-V156 HydrophobicContact CG2-CG2 3.42Å; I107-V156 VanDerWaalsContact CG2-CG2 3.42Å; I107-L163 WeakPolarHBondContact O-CD2 3.19Å; I107-M167 HydrophobicContact CG2-CE 3.98Å; I107-M183 HydrophobicContact CD1-CE 4Å; I107-M183 HydrophobicContact CG1-CE 4.5Å
108G33Very low56.5Low34 Ų3474.7 Ų74.735%0.35136%0.363SS..SBendtrans-134.6157.5173.600000111.5W106 F110W106-G108 VanDerWaalsContact C-N 3.34Å; G108-F110 PolarHBondContact O-N 3.26Å; G108-F110 VanDerWaalsContact O-N 3.12Å
109R34.6Very low55.4Low244 Ų24475.5 Ų75.592%0.92137%0.37SS*.PPolyproline II helixtrans-58.2118.7163.1-72.3-178.1-178.7178.62.4106.6N111R109-N111 PolarHBondContact O-N 2.97Å
110F40.5Very low54.5Low56 Ų5679.1 Ų79.125%0.24639%0.389CS..PPolyproline II helixtrans-51.7118.6159.6-76.6-91000106.7Q104 N105 W106 G108 Q114 C115Q104-F110 WeakPolarHBondContact O-CZ 3.09Å; N105-F110 WeakPolarHBondContact O-CE2 3.4Å; N105-F110 VanDerWaalsContact O-CZ 3.24Å; N105-F110 WeakPolarHBondContact O-CZ 3.27Å; W106-F110 AromaticContact CD1-CE2 3.79Å; W106-F110 AromaticContact NE1-CE2 3.63Å; W106-F110 AromaticContact NE1-CZ 3.93Å; G108-F110 PolarHBondContact O-N 3.26Å; G108-F110 VanDerWaalsContact O-N 3.12Å; F110-Q114 HydrophobicContact CD1-CB 4.21Å; F110-C115 WeakPolarHBondContact CB-SG 3.34Å
111N44.8Very low54Low71 Ų7183 Ų8338%0.3841%0.407SS..PPolyproline II helixtrans-70.9155.2161.268.2-0.5000107.5R109 E113 Q114 C115R109-N111 PolarHBondContact O-N 2.97Å; N111-E113 PolarHBondContact O-N 3.44Å; N111-E113 VanDerWaalsContact O-N 3.12Å; N111-Q114 PolarHBondContact O-N 2.94Å; N111-Q114 VanDerWaalsContact O-N 3.13Å; N111-Q114 WeakPolarHBondContact OD1-CB 3.38Å; N111-Q114 WeakPolarHBondContact OD1-CG 3.44Å; N111-Q114 PolarHBondContact OD1-N 3.36Å; N111-C115 PolarHBondContact O-N 3.46Å
112D50Low53.8Low129 Ų12982.3 Ų82.369%0.6941%0.405SS*.Hα-helixtrans-57-31.4-175.6-72.5-42.7000111.9C115 E116D112-C115 WeakPolarHBondContact O-CB 3.11Å; D112-C115 PolarHBondContact O-N 3.25Å; D112-E116 WeakPolarHBondContact O-CB 3.49Å; D112-E116 PolarHBondContact O-N 3.29Å
113E54.6Low53.8Low143 Ų14384.8 Ų84.867%0.66841%0.413SS*.Hα-helixtrans-63.1-45.5176.1-65.6176.6173.100113.4N111 C115 E116 Q117N111-E113 PolarHBondContact O-N 3.44Å; N111-E113 VanDerWaalsContact O-N 3.12Å; E113-C115 VanDerWaalsContact C-N 3.34Å; E113-E116 PolarHBondContact O-N 3.31Å; E113-Q117 WeakPolarHBondContact O-CB 3.45Å; E113-Q117 PolarHBondContact O-N 3.14Å
114Q52.3Low54.5Low83 Ų8385.7 Ų85.739%0.38842%0.423SS..Hα-helixtrans-67.4-36.5177.9-78171.9-5.700112F110 N111 E116 S118F110-Q114 HydrophobicContact CD1-CB 4.21Å; N111-Q114 PolarHBondContact O-N 2.94Å; N111-Q114 VanDerWaalsContact O-N 3.13Å; N111-Q114 WeakPolarHBondContact OD1-CB 3.38Å; N111-Q114 WeakPolarHBondContact OD1-CG 3.44Å; N111-Q114 PolarHBondContact OD1-N 3.36Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; Q114-S118 WeakPolarHBondContact O-CB 3.26Å; Q114-S118 PolarHBondContact O-N 3.36Å; Q114-S118 PolarHBondContact O-OG 3.31Å
115C53.3Low55.8Low38 Ų3880.3 Ų80.326%0.25740%0.398SS..Hα-helixtrans-60.2-45170.8-83.90000111.1F110 N111 D112 E113 A119F110-C115 WeakPolarHBondContact CB-SG 3.34Å; N111-C115 PolarHBondContact O-N 3.46Å; D112-C115 WeakPolarHBondContact O-CB 3.11Å; D112-C115 PolarHBondContact O-N 3.25Å; E113-C115 VanDerWaalsContact C-N 3.34Å; C115-A119 WeakPolarHBondContact O-CB 3.5Å; C115-A119 PolarHBondContact O-N 3.4Å
116E57.5Low57.3Low127 Ų12777.9 Ų77.959%0.59338%0.383SS*.Hα-helixtrans-66.4-45.9-179.3-174.5164.3-158.400111.9D112 E113 Q114 S118 A119 I120D112-E116 WeakPolarHBondContact O-CB 3.49Å; D112-E116 PolarHBondContact O-N 3.29Å; E113-E116 PolarHBondContact O-N 3.31Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; E116-S118 PolarHBondContact O-N 2.77Å; E116-A119 WeakPolarHBondContact O-CB 3.33Å; E116-A119 PolarHBondContact O-N 3.14Å; E116-A119 VanDerWaalsContact O-N 3.13Å; E116-I120 HydrophobicContact CG-CD1 4.07Å; E116-I120 WeakPolarHBondContact O-CG1 3.33Å; E116-I120 PolarHBondContact O-N 3.1Å
117Q61.6Low59.2Low101 Ų10180.3 Ų80.347%0.47240%0.396SS..Hα-helixtrans-59.8-46176.7-177.25928.100111.8E113 A119 I120 E121E113-Q117 WeakPolarHBondContact O-CB 3.45Å; E113-Q117 PolarHBondContact O-N 3.14Å; Q117-A119 VanDerWaalsContact C-N 3.29Å; Q117-A119 PolarHBondContact O-N 2.77Å; Q117-I120 PolarHBondContact O-N 3.28Å; Q117-E121 PolarHBondContact NE2-OE1 3.08Å; Q117-E121 PolarHBondContact O-N 2.73Å
118S62.5Low61.5Low47 Ų4779.4 Ų79.433%0.32939%0.391SS..Hα-helixtrans-61.9-38.9176.2-58.90000111.7Q114 E116 E121 M122Q114-S118 WeakPolarHBondContact O-CB 3.26Å; Q114-S118 PolarHBondContact O-N 3.36Å; Q114-S118 PolarHBondContact O-OG 3.31Å; E116-S118 PolarHBondContact O-N 2.77Å; S118-E121 PolarHBondContact O-N 3.11Å; S118-M122 WeakPolarHBondContact O-CE 3.39Å; S118-M122 WeakPolarHBondContact O-CG 3.15Å; S118-M122 PolarHBondContact O-N 2.87Å
119A62.7Low64.1Low17 Ų1777.8 Ų77.814%0.1438%0.375CS..Hα-helixtrans-66.2-39.2176.100000112.4C115 E116 Q117 R123C115-A119 WeakPolarHBondContact O-CB 3.5Å; C115-A119 PolarHBondContact O-N 3.4Å; E116-A119 WeakPolarHBondContact O-CB 3.33Å; E116-A119 PolarHBondContact O-N 3.14Å; E116-A119 VanDerWaalsContact O-N 3.13Å; Q117-A119 VanDerWaalsContact C-N 3.29Å; Q117-A119 PolarHBondContact O-N 2.77Å; A119-R123 WeakPolarHBondContact O-CB 3.35Å; A119-R123 VanDerWaalsContact O-CG 3.24Å; A119-R123 WeakPolarHBondContact O-CG 3.03Å; A119-R123 PolarHBondContact O-N 2.97Å
120I66.3Low66.4Low85 Ų8567.6 Ų67.644%0.43634%0.338SS..Hα-helixtrans-63.1-47.5175.3-68.9165.5000110.4E116 Q117 M122 R123 S124E116-I120 HydrophobicContact CG-CD1 4.07Å; E116-I120 WeakPolarHBondContact O-CG1 3.33Å; E116-I120 PolarHBondContact O-N 3.1Å; Q117-I120 PolarHBondContact O-N 3.28Å; I120-M122 PolarHBondContact O-N 2.8Å; I120-R123 PolarHBondContact O-N 3.45Å; I120-S124 PolarHBondContact O-N 3.36Å
121E67.9Low68.4Low82 Ų8268.9 Ų68.938%0.38335%0.348SS..Hα-helixtrans-59.2-46.7177.6-74.5-179.7-162.500112.1K101 Q117 S118 R123 S124 L125K101-E121 IonicContact NZ-OE2 3.49Å; K101-E121 PolarHBondContact NZ-OE2 3.36Å; Q117-E121 PolarHBondContact NE2-OE1 3.08Å; Q117-E121 PolarHBondContact O-N 2.73Å; S118-E121 PolarHBondContact O-N 3.11Å; E121-R123 PolarHBondContact O-N 2.89Å; E121-S124 PolarHBondContact O-N 3.4Å; E121-L125 PolarHBondContact O-N 3.21Å
122M72.4Confident70.4Confident32 Ų3266.2 Ų66.216%0.15834%0.336CS..Hα-helixtrans-63.3-41.5177.7-73.4-172.8-69.400112.2S118 I120 S124 L125 F126 L188 I249S118-M122 WeakPolarHBondContact O-CE 3.39Å; S118-M122 WeakPolarHBondContact O-CG 3.15Å; S118-M122 PolarHBondContact O-N 2.87Å; I120-M122 PolarHBondContact O-N 2.8Å; M122-S124 VanDerWaalsContact C-N 3.34Å; M122-S124 PolarHBondContact O-N 2.88Å; M122-L125 PolarHBondContact O-N 3.31Å; M122-F126 WeakPolarHBondContact O-CG 3.08Å; M122-F126 PolarHBondContact O-N 3.48Å; M122-L188 HydrophobicContact CG-CD2 4.18Å; M122-L188 HydrophobicContact SD-CD2 3.89Å; M122-I249 HydrophobicContact CE-CD1 3.6Å; M122-I249 HydrophobicContact CE-CG1 4.42Å
123R71.2Confident72.1Confident90 Ų9061 Ų6134%0.3431%0.313SS..Hα-helixtrans-61.6-42.8175.7-76.9175.8-171.4171.45.6111.5A119 I120 E121 K127 N242A119-R123 WeakPolarHBondContact O-CB 3.35Å; A119-R123 VanDerWaalsContact O-CG 3.24Å; A119-R123 WeakPolarHBondContact O-CG 3.03Å; A119-R123 PolarHBondContact O-N 2.97Å; I120-R123 PolarHBondContact O-N 3.45Å; E121-R123 PolarHBondContact O-N 2.89Å; R123-K127 WeakPolarHBondContact O-CB 3.13Å; R123-K127 PolarHBondContact O-N 3.49Å; R123-N242 PolarHBondContact NH1-OD1 3.33Å; R123-N242 PolarHBondContact NH2-O 3.1Å
124S79.9Confident73.6Confident60 Ų6054.2 Ų54.242%0.4228%0.281SS..Hα-helixtrans-61.2-48.1176.3-164.70000110.9I120 E121 M122 F126 K127 D128I120-S124 PolarHBondContact O-N 3.36Å; E121-S124 PolarHBondContact O-N 3.4Å; M122-S124 VanDerWaalsContact C-N 3.34Å; M122-S124 PolarHBondContact O-N 2.88Å; S124-F126 PolarHBondContact O-N 3Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 2.98Å; S124-D128 PolarHBondContact O-N 2.92Å
125L81.3Confident75Confident28 Ų2851.6 Ų51.615%0.14727%0.27CS..Hα-helixtrans-58.6-48.4179.4178.360000112.4F83 I99 E121 M122 K127 D128 L129 I190F83-L125 HydrophobicContact CE1-CD1 4.39Å; F83-L125 HydrophobicContact CE2-CD1 3.9Å; F83-L125 HydrophobicContact CZ-CD1 3.41Å; F83-L125 VanDerWaalsContact CZ-CD1 3.41Å; I99-L125 HydrophobicContact CD1-CD1 4.27Å; E121-L125 PolarHBondContact O-N 3.21Å; M122-L125 PolarHBondContact O-N 3.31Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.82Å; L125-D128 PolarHBondContact O-N 3.24Å; L125-L129 HydrophobicContact CD1-CD1 4.22Å; L125-L129 HydrophobicContact CD1-CG 4.48Å; L125-L129 HydrophobicContact CG-CD1 4.18Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.44Å; L125-I190 HydrophobicContact CD2-CD1 3.47Å; L125-I190 VanDerWaalsContact CD2-CD1 3.47Å; L125-I190 HydrophobicContact CG-CD1 4.29Å
126F80.4Confident76.1Confident43 Ų4350.9 Ų50.919%0.18926%0.263CS..Hα-helixtrans-63.3-40.6177.6-68.8-21.7000112.1M122 S124 L129 L130 I136 W138 I190M122-F126 WeakPolarHBondContact O-CG 3.08Å; M122-F126 PolarHBondContact O-N 3.48Å; S124-F126 PolarHBondContact O-N 3Å; F126-L129 PolarHBondContact O-N 3.49Å; F126-L130 WeakPolarHBondContact O-CB 3.39Å; F126-L130 VanDerWaalsContact O-CG 3.23Å; F126-L130 WeakPolarHBondContact O-CG 3.49Å; F126-L130 PolarHBondContact O-N 2.79Å; F126-I136 HydrophobicContact CB-CD1 4.29Å; F126-I136 HydrophobicContact CD1-CD1 4.28Å; F126-I136 HydrophobicContact CD1-CG2 4.27Å; F126-I136 HydrophobicContact CE1-CG2 4.29Å; F126-I136 WeakPolarHBondContact O-CD1 3.42Å; F126-W138 HydrophobicContact CZ-CB 4.31Å; F126-W138 AromaticContact CZ-CD1 3.76Å; F126-W138 HydrophobicContact CZ-CD2 4.44Å; F126-W138 AromaticContact CZ-CG 3.91Å; F126-W138 HydrophobicContact CZ-CG 3.91Å; F126-I190 HydrophobicContact CD1-CD1 4.32Å; F126-I190 HydrophobicContact CE1-CD1 3.63Å; F126-I190 HydrophobicContact CE1-CG1 3.94Å; F126-I190 HydrophobicContact CE1-CG2 4.27Å
127K80.9Confident76.8Confident125 Ų12546.7 Ų46.754%0.54324%0.243SC..Hα-helixtrans-61.2-48.4176-175.7-176.1175-169.50111.1R123 S124 L125 L129 L130 D131R123-K127 WeakPolarHBondContact O-CB 3.13Å; R123-K127 PolarHBondContact O-N 3.49Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 2.98Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.82Å; K127-L129 VanDerWaalsContact C-N 3.32Å; K127-L129 PolarHBondContact O-N 3.05Å; K127-L130 PolarHBondContact O-N 2.94Å; K127-D131 VanDerWaalsContact O-CB 3.26Å; K127-D131 WeakPolarHBondContact O-CB 3.26Å; K127-D131 VanDerWaalsContact O-CG 3.29Å; K127-D131 PolarHBondContact O-N 3.08Å
128D85.1Confident77.3Confident32 Ų3244.9 Ų44.917%0.17123%0.232CC..Hα-helixtrans-62.5-38.9-178.5-71.7-24.7000112.2K80 F83 S124 L125 A132K80-D128 HydrophobicContact CB-CB 4.31Å; F83-D128 HydrophobicContact CD2-CB 3.81Å; F83-D128 HydrophobicContact CE2-CB 3.77Å; S124-D128 PolarHBondContact O-N 2.92Å; L125-D128 PolarHBondContact O-N 3.24Å; D128-A132 WeakPolarHBondContact O-CB 3.29Å; D128-A132 PolarHBondContact O-N 2.79Å
129L86.1Confident77.4Confident0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-64.8-47.2174-77.2166.6000112.4F83 L97 I99 L125 F126 K127 D131 A132 G133 F134 I136 I190 A192F83-L129 HydrophobicContact CB-CD2 4.43Å; F83-L129 HydrophobicContact CD1-CD2 3.51Å; F83-L129 HydrophobicContact CD1-CG 4.35Å; F83-L129 HydrophobicContact CD2-CD2 4.21Å; F83-L129 HydrophobicContact CD2-CG 4.3Å; F83-L129 HydrophobicContact CE1-CD2 3.74Å; F83-L129 HydrophobicContact CE1-CG 4.31Å; F83-L129 HydrophobicContact CE2-CD2 4.41Å; F83-L129 HydrophobicContact CE2-CG 4.25Å; F83-L129 HydrophobicContact CG-CD2 3.79Å; F83-L129 HydrophobicContact CG-CG 4.37Å; F83-L129 HydrophobicContact CZ-CD2 4.2Å; F83-L129 HydrophobicContact CZ-CG 4.27Å; L97-L129 HydrophobicContact CD2-CD2 3.68Å; I99-L129 HydrophobicContact CD1-CD1 3.88Å; I99-L129 HydrophobicContact CD1-CD2 4.07Å; I99-L129 HydrophobicContact CD1-CG 4.44Å; L125-L129 HydrophobicContact CD1-CD1 4.22Å; L125-L129 HydrophobicContact CD1-CG 4.48Å; L125-L129 HydrophobicContact CG-CD1 4.18Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.44Å; F126-L129 PolarHBondContact O-N 3.49Å; K127-L129 VanDerWaalsContact C-N 3.32Å; K127-L129 PolarHBondContact O-N 3.05Å; L129-D131 VanDerWaalsContact C-N 3.35Å; L129-D131 PolarHBondContact O-N 2.88Å; L129-A132 PolarHBondContact O-N 3.4Å; L129-G133 PolarHBondContact O-N 2.87Å; L129-F134 HydrophobicContact CD2-CD2 4.07Å; L129-F134 HydrophobicContact CD2-CG 4.45Å; L129-F134 WeakPolarHBondContact O-CB 3.45Å; L129-F134 PolarHBondContact O-N 3.22Å; L129-I136 HydrophobicContact CB-CD1 3.38Å; L129-I136 HydrophobicContact CB-CG1 4.04Å; L129-I136 HydrophobicContact CD1-CD1 3.89Å; L129-I136 HydrophobicContact CD1-CG1 4.39Å; L129-I136 HydrophobicContact CG-CD1 4.29Å; L129-I190 HydrophobicContact CD1-CG2 4.09Å; L129-A192 HydrophobicContact CD2-CB 4.04Å
130L83.3Confident77.5Confident30 Ų3044.2 Ų44.216%0.15722%0.224CC..Hα-helixtrans-63.9-42.1179.2-71.2170.6000111.9F126 K127 A132 G133 F134 I136 K195 M233F126-L130 WeakPolarHBondContact O-CB 3.39Å; F126-L130 VanDerWaalsContact O-CG 3.23Å; F126-L130 WeakPolarHBondContact O-CG 3.49Å; F126-L130 PolarHBondContact O-N 2.79Å; K127-L130 PolarHBondContact O-N 2.94Å; L130-A132 VanDerWaalsContact C-N 3.29Å; L130-G133 PolarHBondContact O-N 2.78Å; L130-F134 WeakPolarHBondContact CD2-O 3.37Å; L130-I136 HydrophobicContact CD2-CD1 3.92Å; L130-I136 HydrophobicContact CD2-CG1 4.13Å; L130-I136 HydrophobicContact CG-CD1 3.68Å; L130-I136 HydrophobicContact CG-CG1 4.41Å; L130-K195 PolarHBondContact O-NZ 3.13Å; L130-M233 HydrophobicContact CD1-CE 3.19Å; L130-M233 HydrophobicContact CD1-CG 4.06Å; L130-M233 HydrophobicContact CD1-SD 4.37Å
131D82.8Confident77.2Confident83 Ų8340.8 Ų40.844%0.44421%0.206SC..Hα-helixtrans-69.6-26.7178.5-77-4.3000111.9K80 K127 L129 G133K80-D131 HydrophobicContact CD-CB 3.95Å; K80-D131 VanDerWaalsContact CE-O 3.31Å; K80-D131 WeakPolarHBondContact CE-O 3.49Å; K127-D131 VanDerWaalsContact O-CB 3.26Å; K127-D131 WeakPolarHBondContact O-CB 3.26Å; K127-D131 VanDerWaalsContact O-CG 3.29Å; K127-D131 PolarHBondContact O-N 3.08Å; L129-D131 VanDerWaalsContact C-N 3.35Å; L129-D131 PolarHBondContact O-N 2.88Å; D131-G133 VanDerWaalsContact C-N 3.28Å
132A87.2Confident76.7Confident15 Ų1538.1 Ų38.112%0.12419%0.194CC..Hα-helixtrans-77.9-11.517300000113.4K80 F83 L87 D128 L129 L130 F134K80-A132 HydrophobicContact CG-CB 4.41Å; F83-A132 HydrophobicContact CB-CB 3.44Å; F83-A132 VanDerWaalsContact CB-CB 3.44Å; L87-A132 WeakPolarHBondContact CD2-O 3.04Å; D128-A132 WeakPolarHBondContact O-CB 3.29Å; D128-A132 PolarHBondContact O-N 2.79Å; L129-A132 PolarHBondContact O-N 3.4Å; L130-A132 VanDerWaalsContact C-N 3.29Å; A132-F134 HydrophobicContact CB-CD2 4.14Å; A132-F134 HydrophobicContact CB-CE2 4.33Å
133G86Confident76Confident20 Ų2036.9 Ų36.921%0.20619%0.189CC..THydrogen-bonded Turntrans104.320.4177.500000114.8L129 L130 D131 K195L129-G133 PolarHBondContact O-N 2.87Å; L130-G133 PolarHBondContact O-N 2.78Å; D131-G133 VanDerWaalsContact C-N 3.28Å; G133-K195 VanDerWaalsContact O-CB 3.3Å; G133-K195 WeakPolarHBondContact O-CB 3.48Å; G133-K195 WeakPolarHBondContact O-CG 3.02Å; G133-K195 PolarHBondContact O-N 2.68Å
134F84.4Confident75.2Confident0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-95.6149.6174.5-68.3-84.7000113.1F83 L87 L90 L97 L129 L130 A132 A192 S193 K195F83-F134 HydrophobicContact CB-CD2 4.49Å; F83-F134 HydrophobicContact CB-CE2 4.05Å; F83-F134 WeakPolarHBondContact O-CE2 3.43Å; L87-F134 HydrophobicContact CB-CE1 4.44Å; L87-F134 HydrophobicContact CB-CE2 3.83Å; L87-F134 HydrophobicContact CB-CZ 3.61Å; L87-F134 HydrophobicContact CD1-CD1 4.2Å; L87-F134 HydrophobicContact CD1-CE1 3.68Å; L87-F134 HydrophobicContact CD1-CE2 4.25Å; L87-F134 HydrophobicContact CD1-CZ 3.72Å; L87-F134 HydrophobicContact CG-CE2 4.5Å; L87-F134 HydrophobicContact CG-CZ 4.24Å; L90-F134 HydrophobicContact CD1-CE1 3.63Å; L90-F134 HydrophobicContact CD1-CZ 3.95Å; L97-F134 HydrophobicContact CB-CE1 4.03Å; L97-F134 HydrophobicContact CB-CZ 4.33Å; L97-F134 HydrophobicContact CD2-CE1 4.49Å; L97-F134 HydrophobicContact CD2-CE2 4.29Å; L97-F134 HydrophobicContact CD2-CZ 4.1Å; L129-F134 HydrophobicContact CD2-CD2 4.07Å; L129-F134 HydrophobicContact CD2-CG 4.45Å; L129-F134 WeakPolarHBondContact O-CB 3.45Å; L129-F134 PolarHBondContact O-N 3.22Å; L130-F134 WeakPolarHBondContact CD2-O 3.37Å; A132-F134 HydrophobicContact CB-CD2 4.14Å; A132-F134 HydrophobicContact CB-CE2 4.33Å; F134-A192 HydrophobicContact CB-CB 3.8Å; F134-A192 HydrophobicContact CD1-CB 3.66Å; F134-A192 HydrophobicContact CE1-CB 4.39Å; F134-A192 HydrophobicContact CG-CB 3.81Å; F134-S193 CarbonylContact C-O 3.52Å; F134-S193 WeakPolarHBondContact CA-O 3.33Å; F134-K195 VanDerWaalsContact O-CE 3.22Å; F134-K195 WeakPolarHBondContact O-CE 3.43Å
135N82.2Confident73.9Confident29 Ų2932 Ų3216%0.15517%0.167CC..EExtended strand (participates in β ladder)trans-92.3132.7159.8-87-17.3000108.4A192 S193 K195 F202N135-A192 CarbonylContact O-C 3.41Å; N135-A192 WeakPolarHBondContact O-CA 3.39Å; N135-S193 PolarHBondContact N-O 3.45Å; N135-S193 PolarHBondContact O-N 2.95Å; N135-K195 HydrophobicContact CB-CG 4.48Å; N135-K195 WeakPolarHBondContact OD1-CG 3.49Å; N135-F202 HydrophobicContact CB-CE1 3.62Å; N135-F202 HydrophobicContact CB-CE2 3.98Å; N135-F202 HydrophobicContact CB-CZ 3.17Å; N135-F202 WeakPolarHBondContact OD1-CE2 3.45Å; N135-F202 WeakPolarHBondContact OD1-CZ 3.34Å
136I75.7Confident72.7Confident23 Ų2337.2 Ų37.212%0.11819%0.19CC..EExtended strand (participates in β ladder)trans-117.8133.8-169.8-53.6173.4000111.4F126 L129 L130 I190 F202F126-I136 HydrophobicContact CB-CD1 4.29Å; F126-I136 HydrophobicContact CD1-CD1 4.28Å; F126-I136 HydrophobicContact CD1-CG2 4.27Å; F126-I136 HydrophobicContact CE1-CG2 4.29Å; F126-I136 WeakPolarHBondContact O-CD1 3.42Å; L129-I136 HydrophobicContact CB-CD1 3.38Å; L129-I136 HydrophobicContact CB-CG1 4.04Å; L129-I136 HydrophobicContact CD1-CD1 3.89Å; L129-I136 HydrophobicContact CD1-CG1 4.39Å; L129-I136 HydrophobicContact CG-CD1 4.29Å; L130-I136 HydrophobicContact CD2-CD1 3.92Å; L130-I136 HydrophobicContact CD2-CG1 4.13Å; L130-I136 HydrophobicContact CG-CD1 3.68Å; L130-I136 HydrophobicContact CG-CG1 4.41Å; I136-I190 HydrophobicContact CG2-CG2 3.43Å; I136-I190 VanDerWaalsContact CG2-CG2 3.43Å; I136-F202 VanDerWaalsContact O-CE1 3.29Å; I136-F202 WeakPolarHBondContact O-CE1 3.35Å
137Q73.3Confident71.5Confident38 Ų3836.5 Ų36.518%0.17819%0.188CC..EExtended strand (participates in β ladder)trans-121.3150.7163.5-52.8-175.61.300107.9I190 I191 F202 K203 I205Q137-I190 CarbonylContact O-C 3.58Å; Q137-I190 WeakPolarHBondContact O-CA 3.24Å; Q137-I191 HydrophobicContact CB-CB 4.47Å; Q137-I191 PolarHBondContact N-O 2.87Å; Q137-I191 PolarHBondContact O-N 3.39Å; Q137-F202 HydrophobicContact CG-CD1 3.83Å; Q137-F202 HydrophobicContact CG-CE1 4.04Å; Q137-K203 VanDerWaalsContact CD-O 3.29Å; Q137-K203 PolarHBondContact NE2-O 3.16Å; Q137-K203 PolarHBondContact OE1-O 2.82Å; Q137-I205 HydrophobicContact CB-CD1 3.76Å; Q137-I205 HydrophobicContact CB-CG1 3.6Å; Q137-I205 HydrophobicContact CG-CG1 4.37Å
138W72.4Confident70.5Confident63 Ų6333.2 Ų33.224%0.23918%0.176CC..EExtended strand (participates in β ladder)trans-147.5159.9176.666.1-89.7000111.8F126 V140 L188 I189 I190 L231 I248F126-W138 HydrophobicContact CZ-CB 4.31Å; F126-W138 AromaticContact CZ-CD1 3.76Å; F126-W138 HydrophobicContact CZ-CD2 4.44Å; F126-W138 AromaticContact CZ-CG 3.91Å; F126-W138 HydrophobicContact CZ-CG 3.91Å; W138-V140 HydrophobicContact CE3-CG2 4.25Å; W138-V140 HydrophobicContact CZ3-CG2 3.94Å; W138-L188 HydrophobicContact CB-CD1 4.4Å; W138-L188 HydrophobicContact CD2-CD1 4.46Å; W138-L188 HydrophobicContact CE3-CD1 3.84Å; W138-I189 CarbonylContact C-O 3.5Å; W138-I189 WeakPolarHBondContact CA-O 2.84Å; W138-I189 VanDerWaalsContact CB-O 3.29Å; W138-I189 WeakPolarHBondContact CB-O 3.44Å; W138-I190 HydrophobicContact CB-CG1 4.13Å; W138-L231 HydrophobicContact CZ2-CD1 3.79Å; W138-L231 VanDerWaalsContact NE1-CD1 3.3Å; W138-I248 HydrophobicContact CH2-CG2 3.85Å; W138-I248 HydrophobicContact CZ2-CG2 4.22Å
139D64.3Low69.1Low16 Ų1634 Ų349%0.08618%0.177CC..EExtended strand (participates in β ladder)trans-148.7159179.8-161.74.6000110Y18 I189 I205 R207Y18-D139 HydrophobicContact CE1-CB 4.16Å; Y18-D139 VanDerWaalsContact CE1-OD2 3.3Å; Y18-D139 WeakPolarHBondContact CE1-OD2 3.37Å; Y18-D139 WeakPolarHBondContact OH-CB 3.45Å; Y18-D139 VanDerWaalsContact OH-CG 3.26Å; Y18-D139 PolarHBondContact OH-OD2 3.21Å; D139-I189 PolarHBondContact N-O 3.37Å; D139-I189 PolarHBondContact O-N 2.97Å; D139-I205 HydrophobicContact CB-CD1 4.21Å; D139-R207 IonicContact OD1-CZ 3.92Å; D139-R207 IonicContact OD1-NH2 2.82Å; D139-R207 PolarHBondContact OD1-NH2 3.08Å; D139-R207 IonicContact OD2-CZ 3.2Å; D139-R207 IonicContact OD2-NE 2.91Å; D139-R207 PolarHBondContact OD2-NE 3.24Å; D139-R207 IonicContact OD2-NH2 2.78Å; D139-R207 PolarHBondContact OD2-NH2 3.1Å
140V63.7Low67.8Low34 Ų3440.3 Ų40.321%0.20621%0.206CC..EExtended strand (participates in β ladder)trans-124.1124.2171.5176.30000108.4L103 W138 Q186 L187 L188L103-V140 HydrophobicContact CD1-CG1 4.01Å; L103-V140 HydrophobicContact CD1-CG2 4.22Å; W138-V140 HydrophobicContact CE3-CG2 4.25Å; W138-V140 HydrophobicContact CZ3-CG2 3.94Å; V140-Q186 HydrophobicContact CG1-CB 4.46Å; V140-L187 WeakPolarHBondContact CA-O 3.17Å; V140-L188 HydrophobicContact CG2-CD1 3.92Å
141I60.2Low66.6Low13 Ų1344.8 Ų44.87%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-116.5147.3177.864.1168.6000111.1I14 Y18 Q186 L187 I189 Y222I14-I141 HydrophobicContact CB-CD1 4.49Å; I14-I141 HydrophobicContact CD1-CD1 4.05Å; I14-I141 HydrophobicContact CG1-CD1 3.89Å; I14-I141 HydrophobicContact CG2-CD1 3.78Å; Y18-I141 WeakPolarHBondContact OH-CG2 3.43Å; I141-Q186 WeakPolarHBondContact O-CA 3.43Å; I141-L187 HydrophobicContact CD1-CB 4.49Å; I141-L187 HydrophobicContact CD1-CD1 4.33Å; I141-L187 HydrophobicContact CG1-CB 3.87Å; I141-L187 HydrophobicContact CG1-CD1 4.49Å; I141-L187 PolarHBondContact N-O 2.77Å; I141-L187 PolarHBondContact O-N 2.89Å; I141-I189 HydrophobicContact CD1-CD1 3.5Å; I141-I189 HydrophobicContact CG1-CD1 3.7Å; I141-I189 HydrophobicContact CG1-CG1 4.49Å; I141-I189 HydrophobicContact CG2-CD1 4.34Å; I141-Y222 HydrophobicContact CD1-CE1 4.3Å
142D57.3Low65.5Low26 Ų2642.1 Ų42.114%0.13921%0.205CC..EExtended strand (participates in β ladder)trans-91.2107.5167-62.5-52.5000107.9P144 N184 Q186 N224D142-P144 WeakPolarHBondContact O-CD 3.49Å; D142-N184 HydrophobicContact CB-CB 4.11Å; D142-Q186 VanDerWaalsContact OD1-CG 3.29Å; D142-Q186 WeakPolarHBondContact OD1-CG 3.45Å; D142-Q186 PolarHBondContact OD1-NE2 2.96Å; D142-N224 PolarHBondContact OD2-ND2 2.86Å
143L58.9Low63.9Low7 Ų744.5 Ų44.54%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-90114.8171.8-178.169.5000108.5I14 V145 N184 E185 L187I14-L143 HydrophobicContact CD1-CD1 4.17Å; I14-L143 HydrophobicContact CD1-CD2 4.24Å; L143-V145 HydrophobicContact CD2-CG2 4.24Å; L143-V145 HydrophobicContact CG-CG2 4.29Å; L143-V145 PolarHBondContact O-N 2.96Å; L143-N184 CarbonylContact O-C 3.55Å; L143-N184 WeakPolarHBondContact O-CA 3.12Å; L143-E185 PolarHBondContact N-O 3.32Å; L143-E185 PolarHBondContact O-N 2.87Å; L143-L187 HydrophobicContact CB-CD1 3.98Å; L143-L187 HydrophobicContact CB-CG 4.33Å; L143-L187 HydrophobicContact CD2-CD1 3.88Å
144P53.5Low62.4Low21 Ų2149.6 Ų49.614%0.13623%0.231CC..EExtended strand (participates in β ladder)trans-72.6125.3173.426.3-29.5000110.2D142 R182 M183 N184 L221D142-P144 WeakPolarHBondContact O-CD 3.49Å; P144-R182 HydrophobicContact CB-CG 4.37Å; P144-M183 CarbonylContact C-O 3.59Å; P144-M183 WeakPolarHBondContact CA-O 3.28Å; P144-N184 WeakPolarHBondContact CB-OD1 3.49Å; P144-L221 HydrophobicContact CB-CD2 4.38Å; P144-L221 HydrophobicContact CG-CD2 2.98Å; P144-L221 HydrophobicContact CG-CG 4.41Å
145V53.8Low60.6Low26 Ų2652.4 Ų52.416%0.15825%0.25CS..EExtended strand (participates in β ladder)trans-116.2136.4178.5-172.80000108.1L143 M183 E185L143-V145 HydrophobicContact CD2-CG2 4.24Å; L143-V145 HydrophobicContact CG-CG2 4.29Å; L143-V145 PolarHBondContact O-N 2.96Å; V145-M183 HydrophobicContact CB-CG 4.28Å; V145-M183 PolarHBondContact N-O 3.47Å; V145-M183 WeakPolarHBondContact O-CG 3.42Å; V145-M183 PolarHBondContact O-N 3.33Å; V145-E185 HydrophobicContact CG2-CB 3.72Å
146E55.4Low58.9Low138 Ų13851.2 Ų51.265%0.64524%0.244SC*.EExtended strand (participates in β ladder)trans-90.6122.5167.7-68.5-176.9-178.100108.9N180E146-N180 HydrophobicContact CB-CB 4.46Å
147M56Low57.2Low28 Ų2852.3 Ų52.314%0.13825%0.254CS..EExtended strand (participates in β ladder)trans-123.7135.9177.4178.116059.100109.9Y149 R151 W152 N180 I181 M183M147-Y149 PolarHBondContact O-N 2.76Å; M147-R151 HydrophobicContact CG-CB 4.16Å; M147-R151 HydrophobicContact CG-CG 4.37Å; M147-R151 HydrophobicContact SD-CB 4.37Å; M147-R151 HydrophobicContact SD-CG 4.05Å; M147-W152 HydrophobicContact CE-CB 3.66Å; M147-W152 HydrophobicContact CE-CG 4.07Å; M147-W152 HydrophobicContact CG-CB 4.41Å; M147-N180 CarbonylContact O-C 3.48Å; M147-N180 WeakPolarHBondContact O-CA 3.15Å; M147-I181 PolarHBondContact N-O 2.97Å; M147-I181 PolarHBondContact O-N 3.49Å; M147-M183 HydrophobicContact CB-SD 4.44Å; M147-M183 HydrophobicContact CE-CE 3.5Å; M147-M183 VanDerWaalsContact CE-CE 3.5Å; M147-M183 HydrophobicContact CE-SD 3.48Å; M147-M183 WeakPolarHBondContact CE-SD 3.49Å
148N58.5Low55.5Low56 Ų5656 Ų5630%0.29928%0.283SS..EExtended strand (participates in β ladder)trans-55.1135.6174.8-178.9-83.3000111.4H150 R151 W152 E179 N180N148-H150 VanDerWaalsContact C-N 3.31Å; N148-H150 PolarHBondContact O-N 2.94Å; N148-H150 WeakPolarHBondContact OD1-CB 3.37Å; N148-H150 PolarHBondContact OD1-N 3.35Å; N148-R151 HydrophobicContact CB-CB 4.38Å; N148-R151 WeakPolarHBondContact O-CB 3.38Å; N148-R151 PolarHBondContact O-N 3.21Å; N148-R151 VanDerWaalsContact O-N 3.1Å; N148-W152 PolarHBondContact O-N 2.87Å; N148-E179 CarbonylContact C-O 3.53Å; N148-E179 VanDerWaalsContact CA-O 3.26Å; N148-E179 WeakPolarHBondContact CA-O 3.46Å; N148-E179 PolarHBondContact ND2-O 3.29Å; N148-N180 WeakPolarHBondContact CA-OD1 3.32Å
149Y57.2Low53.8Low47 Ų4754.9 Ų54.918%0.18428%0.284CS..Hα-helixtrans-53.7-44.5-176.5178.8-83.7000112.3M147 R151 W152 F153 L171 L176 E179 I181M147-Y149 PolarHBondContact O-N 2.76Å; Y149-R151 VanDerWaalsContact C-N 3.33Å; Y149-R151 PolarHBondContact O-N 3.49Å; Y149-W152 HydrophobicContact CE2-CZ3 4.45Å; Y149-W152 PolarHBondContact O-N 3.23Å; Y149-F153 HydrophobicContact CE1-CB 4.34Å; Y149-F153 WeakPolarHBondContact O-CB 3.32Å; Y149-F153 PolarHBondContact O-N 3.02Å; Y149-L171 HydrophobicContact CE2-CD2 4.31Å; Y149-L176 HydrophobicContact CD2-CD2 4.37Å; Y149-L176 HydrophobicContact CE1-CD2 4.4Å; Y149-L176 HydrophobicContact CE2-CD2 3.87Å; Y149-E179 PolarHBondContact N-O 3.28Å; Y149-I181 HydrophobicContact CD2-CD1 3.48Å; Y149-I181 VanDerWaalsContact CD2-CD1 3.48Å; Y149-I181 HydrophobicContact CD2-CG1 3.81Å; Y149-I181 HydrophobicContact CE2-CD1 4.07Å; Y149-I181 HydrophobicContact CG-CD1 4.18Å; Y149-I181 HydrophobicContact CG-CG1 4.46Å
150H58.6Low52.8Low134 Ų13458.2 Ų58.262%0.6231%0.309SS*.Hα-helixtrans-61.9-44.1179.6-67.8-70.2000111.2N148 W152 F153 E154N148-H150 VanDerWaalsContact C-N 3.31Å; N148-H150 PolarHBondContact O-N 2.94Å; N148-H150 WeakPolarHBondContact OD1-CB 3.37Å; N148-H150 PolarHBondContact OD1-N 3.35Å; H150-W152 PolarHBondContact O-N 3.18Å; H150-F153 PolarHBondContact O-N 3.3Å; H150-E154 WeakPolarHBondContact O-CG 3.22Å; H150-E154 PolarHBondContact O-N 2.79Å
151R58.2Low51.6Low124 Ų12459.3 Ų59.347%0.46833%0.327SS..Hα-helixtrans-66.4-38.7178.8-168.3178.6-174.8-166.3-1.9112.5M147 N148 Y149 S155M147-R151 HydrophobicContact CG-CB 4.16Å; M147-R151 HydrophobicContact CG-CG 4.37Å; M147-R151 HydrophobicContact SD-CB 4.37Å; M147-R151 HydrophobicContact SD-CG 4.05Å; N148-R151 HydrophobicContact CB-CB 4.38Å; N148-R151 WeakPolarHBondContact O-CB 3.38Å; N148-R151 PolarHBondContact O-N 3.21Å; N148-R151 VanDerWaalsContact O-N 3.1Å; Y149-R151 VanDerWaalsContact C-N 3.33Å; Y149-R151 PolarHBondContact O-N 3.49Å; R151-S155 PolarHBondContact O-N 3.23Å; R151-S155 VanDerWaalsContact O-N 3.14Å; R151-S155 PolarHBondContact O-OG 3.33Å
152W58.3Low50.8Low26 Ų2664.9 Ų64.910%0.09836%0.357CS..Hα-helixtrans-61.9-50.5171.3176.181.5000110.9M147 N148 Y149 H150 E154 S155 V156 M167 L171 I181M147-W152 HydrophobicContact CE-CB 3.66Å; M147-W152 HydrophobicContact CE-CG 4.07Å; M147-W152 HydrophobicContact CG-CB 4.41Å; N148-W152 PolarHBondContact O-N 2.87Å; Y149-W152 HydrophobicContact CE2-CZ3 4.45Å; Y149-W152 PolarHBondContact O-N 3.23Å; H150-W152 PolarHBondContact O-N 3.18Å; W152-E154 VanDerWaalsContact C-N 3.34Å; W152-E154 PolarHBondContact O-N 3.12Å; W152-S155 WeakPolarHBondContact O-CB 3.48Å; W152-S155 PolarHBondContact O-N 3.31Å; W152-V156 HydrophobicContact CD2-CG2 4.03Å; W152-V156 HydrophobicContact CG-CG2 4.4Å; W152-V156 HydrophobicContact CZ2-CG2 3.95Å; W152-V156 VanDerWaalsContact O-CG2 3.32Å; W152-V156 WeakPolarHBondContact O-CG2 3.35Å; W152-V156 PolarHBondContact O-N 2.84Å; W152-M167 HydrophobicContact CH2-CE 3.67Å; W152-M167 HydrophobicContact CZ2-CE 3.38Å; W152-L171 HydrophobicContact CH2-CD1 3.91Å; W152-L171 HydrophobicContact CH2-CD2 3.69Å; W152-L171 HydrophobicContact CH2-CG 4.21Å; W152-L171 HydrophobicContact CZ3-CD1 3.8Å; W152-L171 HydrophobicContact CZ3-CD2 3.76Å; W152-L171 HydrophobicContact CZ3-CG 4.37Å; W152-I181 HydrophobicContact CB-CD1 3.81Å; W152-I181 HydrophobicContact CD2-CD1 3.33Å; W152-I181 HydrophobicContact CE3-CD1 3.25Å; W152-I181 HydrophobicContact CG-CD1 3.59Å; W152-I181 HydrophobicContact CZ3-CD1 3.94Å
153F54.9Low49.8Very low66 Ų6666 Ų6629%0.28936%0.362SS..Hα-helixtrans-58.8-45.1-178.6-173.6-96.7000111.4Y149 H150 S155 V156 S157Y149-F153 HydrophobicContact CE1-CB 4.34Å; Y149-F153 WeakPolarHBondContact O-CB 3.32Å; Y149-F153 PolarHBondContact O-N 3.02Å; H150-F153 PolarHBondContact O-N 3.3Å; F153-S155 VanDerWaalsContact C-N 3.34Å; F153-S155 PolarHBondContact O-N 3.36Å; F153-V156 PolarHBondContact O-N 3.47Å; F153-S157 WeakPolarHBondContact CE1-OG 2.98Å; F153-S157 WeakPolarHBondContact O-CB 3.31Å; F153-S157 PolarHBondContact O-N 2.96Å; F153-S157 PolarHBondContact O-OG 3.42Å
154E53.2Low48.8Very low127 Ų12767.5 Ų67.559%0.59337%0.37SS*.Hα-helixtrans-56.4-45.2173.2-74.4172.8172.300112.3H150 W152 V156 S157H150-E154 WeakPolarHBondContact O-CG 3.22Å; H150-E154 PolarHBondContact O-N 2.79Å; W152-E154 VanDerWaalsContact C-N 3.34Å; W152-E154 PolarHBondContact O-N 3.12Å; E154-V156 VanDerWaalsContact C-N 3.28Å; E154-V156 PolarHBondContact O-N 2.99Å; E154-S157 WeakPolarHBondContact O-CB 2.97Å; E154-S157 PolarHBondContact O-N 3.13Å
155S47.3Very low48.1Very low58 Ų5873.1 Ų73.141%0.40639%0.394SS..Hα-helixtrans-64.1-35.2-179.8-56.30000112.4R151 W152 F153R151-S155 PolarHBondContact O-N 3.23Å; R151-S155 VanDerWaalsContact O-N 3.14Å; R151-S155 PolarHBondContact O-OG 3.33Å; W152-S155 WeakPolarHBondContact O-CB 3.48Å; W152-S155 PolarHBondContact O-N 3.31Å; F153-S155 VanDerWaalsContact C-N 3.34Å; F153-S155 PolarHBondContact O-N 3.36Å
156V45.7Very low47.3Very low4 Ų477 Ų772%0.02441%0.414CS..Hα-helixtrans-81.1-29177.9176.90000112.4I107 W152 F153 E154 C158 C159 L163 M167I107-V156 HydrophobicContact CB-CG2 4.32Å; I107-V156 HydrophobicContact CD1-CG2 3.99Å; I107-V156 HydrophobicContact CG2-CG1 4.48Å; I107-V156 HydrophobicContact CG2-CG2 3.42Å; I107-V156 VanDerWaalsContact CG2-CG2 3.42Å; W152-V156 HydrophobicContact CD2-CG2 4.03Å; W152-V156 HydrophobicContact CG-CG2 4.4Å; W152-V156 HydrophobicContact CZ2-CG2 3.95Å; W152-V156 VanDerWaalsContact O-CG2 3.32Å; W152-V156 WeakPolarHBondContact O-CG2 3.35Å; W152-V156 PolarHBondContact O-N 2.84Å; F153-V156 PolarHBondContact O-N 3.47Å; E154-V156 VanDerWaalsContact C-N 3.28Å; E154-V156 PolarHBondContact O-N 2.99Å; V156-C158 PolarHBondContact O-N 3.44Å; V156-C159 VanDerWaalsContact O-CB 3.27Å; V156-C159 WeakPolarHBondContact O-CB 3.31Å; V156-C159 PolarHBondContact O-N 3.05Å; V156-L163 HydrophobicContact CG1-CD2 4.41Å; V156-M167 HydrophobicContact CB-CE 4.44Å; V156-M167 HydrophobicContact CG1-CE 3.46Å; V156-M167 VanDerWaalsContact CG1-CE 3.46Å; V156-M167 HydrophobicContact CG1-SD 3.2Å; V156-M167 WeakPolarHBondContact CG1-SD 3.33Å; V156-M167 HydrophobicContact CG2-CE 4.12Å
157S39.7Very low46.4Very low47 Ų4772.3 Ų72.333%0.32939%0.393SS..Hα-helixtrans-64.3-21.5178.5-59.80000112.4F153 E154 C159F153-S157 WeakPolarHBondContact CE1-OG 2.98Å; F153-S157 WeakPolarHBondContact O-CB 3.31Å; F153-S157 PolarHBondContact O-N 2.96Å; F153-S157 PolarHBondContact O-OG 3.42Å; E154-S157 WeakPolarHBondContact O-CB 2.97Å; E154-S157 PolarHBondContact O-N 3.13Å; S157-C159 PolarHBondContact O-N 3.22Å
158C37.9Very low45.5Very low116 Ų11677.4 Ų77.478%0.78441%0.414SS*.THydrogen-bonded Turntrans-74.3-11.2171.5-65.80000113.4V156V156-C158 PolarHBondContact O-N 3.44Å
159C37.3Very low44.3Very low39 Ų3977.8 Ų77.826%0.26443%0.425SS..SBendtrans-88.5143.8173.5-56.80000110.1V156 S157 L163V156-C159 VanDerWaalsContact O-CB 3.27Å; V156-C159 WeakPolarHBondContact O-CB 3.31Å; V156-C159 PolarHBondContact O-N 3.05Å; S157-C159 PolarHBondContact O-N 3.22Å; C159-L163 HydrophobicContact CB-CB 4.44Å; C159-L163 HydrophobicContact CB-CD2 3.49Å; C159-L163 VanDerWaalsContact CB-CD2 3.49Å
160S44Very low43.1Very low85 Ų8579 Ų7959%0.59444%0.441SS*.  trans-33.8137-173.461.70000114.6N162 L163S160-N162 PolarHBondContact O-N 2.98Å; S160-L163 WeakPolarHBondContact O-CB 3.22Å; S160-L163 PolarHBondContact O-N 3.42Å
161G38Very low42Very low57 Ų5773.8 Ų73.859%0.58842%0.417SS*.Hα-helixtrans-50.9-24-174.100000116.5I164 H165G161-I164 PolarHBondContact O-N 2.84Å; G161-H165 PolarHBondContact O-N 3.48Å
162N42.5Very low40.9Very low130 Ų13076.5 Ų76.570%0.69543%0.432SS*.Hα-helixtrans-67.3-35173.2-67.3-10.6000113S160 H165 D166S160-N162 PolarHBondContact O-N 2.98Å; N162-H165 PolarHBondContact O-N 2.78Å; N162-D166 PolarHBondContact O-N 3.41Å; N162-D166 VanDerWaalsContact O-N 3.12Å
163L37.9Very low39.8Very low49 Ų4984.1 Ų84.126%0.25746%0.462SS..Hα-helixtrans-66.8-40.2177.5-158.784.6000110.9I107 V156 C159 S160 H165 D166 M167I107-L163 WeakPolarHBondContact O-CD2 3.19Å; V156-L163 HydrophobicContact CG1-CD2 4.41Å; C159-L163 HydrophobicContact CB-CB 4.44Å; C159-L163 HydrophobicContact CB-CD2 3.49Å; C159-L163 VanDerWaalsContact CB-CD2 3.49Å; S160-L163 WeakPolarHBondContact O-CB 3.22Å; S160-L163 PolarHBondContact O-N 3.42Å; L163-H165 VanDerWaalsContact C-N 3.26Å; L163-H165 PolarHBondContact O-N 3Å; L163-D166 PolarHBondContact O-N 2.88Å; L163-M167 HydrophobicContact CD2-SD 3.73Å; L163-M167 HydrophobicContact CG-CG 4.49Å; L163-M167 HydrophobicContact CG-SD 3.7Å; L163-M167 VanDerWaalsContact O-CB 3.26Å; L163-M167 WeakPolarHBondContact O-CB 3.41Å; L163-M167 WeakPolarHBondContact O-CG 3.2Å; L163-M167 PolarHBondContact O-N 3.35Å
164I36.9Very low39.1Very low39 Ų3984.6 Ų84.620%0.247%0.467CS..Hα-helixtrans-62.2-36.9175.5-57.6174.9000110.7G161 K168G161-I164 PolarHBondContact O-N 2.84Å; I164-K168 WeakPolarHBondContact O-CB 3.47Å; I164-K168 WeakPolarHBondContact O-CG 3.15Å; I164-K168 PolarHBondContact O-N 3.46Å
165H38.3Very low38.4Very low140 Ų14082.1 Ų82.165%0.64846%0.462SS*.Hα-helixtrans-69.3-43.7179.3-159.3-68.2000112.2G161 N162 L163 M167 A169G161-H165 PolarHBondContact O-N 3.48Å; N162-H165 PolarHBondContact O-N 2.78Å; L163-H165 VanDerWaalsContact C-N 3.26Å; L163-H165 PolarHBondContact O-N 3Å; H165-M167 VanDerWaalsContact C-N 3.34Å; H165-A169 PolarHBondContact O-N 3.2Å
166D36.6Very low38.2Very low106 Ų10684.9 Ų84.957%0.56747%0.472SS*.Hα-helixtrans-69.3-32.9176.1-70.9-19.3000112.2N162 L163 A169 S170N162-D166 PolarHBondContact O-N 3.41Å; N162-D166 VanDerWaalsContact O-N 3.12Å; L163-D166 PolarHBondContact O-N 2.88Å; D166-A169 PolarHBondContact O-N 2.97Å; D166-S170 PolarHBondContact O-N 3.27Å; D166-S170 PolarHBondContact O-OG 3.19Å
167M37.6Very low38.1Very low40 Ų4091.6 Ų91.620%0.19751%0.507CS..Hα-helixtrans-73.9-39.4177-69.9172.296.800111.7I107 W152 V156 L163 H165 A169 S170 L171I107-M167 HydrophobicContact CG2-CE 3.98Å; W152-M167 HydrophobicContact CH2-CE 3.67Å; W152-M167 HydrophobicContact CZ2-CE 3.38Å; V156-M167 HydrophobicContact CB-CE 4.44Å; V156-M167 HydrophobicContact CG1-CE 3.46Å; V156-M167 VanDerWaalsContact CG1-CE 3.46Å; V156-M167 HydrophobicContact CG1-SD 3.2Å; V156-M167 WeakPolarHBondContact CG1-SD 3.33Å; V156-M167 HydrophobicContact CG2-CE 4.12Å; L163-M167 HydrophobicContact CD2-SD 3.73Å; L163-M167 HydrophobicContact CG-CG 4.49Å; L163-M167 HydrophobicContact CG-SD 3.7Å; L163-M167 VanDerWaalsContact O-CB 3.26Å; L163-M167 WeakPolarHBondContact O-CB 3.41Å; L163-M167 WeakPolarHBondContact O-CG 3.2Å; L163-M167 PolarHBondContact O-N 3.35Å; H165-M167 VanDerWaalsContact C-N 3.34Å; M167-A169 PolarHBondContact O-N 3.3Å; M167-S170 CarbonylContact O-C 3.59Å; M167-S170 PolarHBondContact O-N 3.01Å; M167-L171 HydrophobicContact CB-CD1 4.3Å; M167-L171 VanDerWaalsContact O-CB 3.26Å; M167-L171 WeakPolarHBondContact O-CB 3.18Å; M167-L171 WeakPolarHBondContact O-CD1 3.24Å; M167-L171 WeakPolarHBondContact O-CG 3.35Å; M167-L171 PolarHBondContact O-N 3.04Å
168K37.6Very low38.5Very low135 Ų13595.6 Ų95.659%0.58752%0.521SS*.Hα-helixtrans-57.1-36.3171.1-84.7-176.6176.6-178.90112.6I164I164-K168 WeakPolarHBondContact O-CB 3.47Å; I164-K168 WeakPolarHBondContact O-CG 3.15Å; I164-K168 PolarHBondContact O-N 3.46Å
169A31.9Very low39.5Very low64 Ų6497.1 Ų97.153%0.52952%0.516SS..Hα-helixtrans-70.4-32.4176.200000112.8H165 D166 M167H165-A169 PolarHBondContact O-N 3.2Å; D166-A169 PolarHBondContact O-N 2.97Å; M167-A169 PolarHBondContact O-N 3.3Å
170S33.6Very low40.2Very low74 Ų7499 Ų9952%0.51752%0.524SS..Hα-helixtrans-87.1-28-178.4-53.20000113.3D166 M167 K172D166-S170 PolarHBondContact O-N 3.27Å; D166-S170 PolarHBondContact O-OG 3.19Å; M167-S170 CarbonylContact O-C 3.59Å; M167-S170 PolarHBondContact O-N 3.01Å; S170-K172 PolarHBondContact O-N 3.34Å
171L35.5Very low40.6Very low23 Ų2395.9 Ų95.912%0.1250%0.5CS..G310 helixtrans-72.4-12.8180-75165.2000113.7Y149 W152 M167 Y173 I174Y149-L171 HydrophobicContact CE2-CD2 4.31Å; W152-L171 HydrophobicContact CH2-CD1 3.91Å; W152-L171 HydrophobicContact CH2-CD2 3.69Å; W152-L171 HydrophobicContact CH2-CG 4.21Å; W152-L171 HydrophobicContact CZ3-CD1 3.8Å; W152-L171 HydrophobicContact CZ3-CD2 3.76Å; W152-L171 HydrophobicContact CZ3-CG 4.37Å; M167-L171 HydrophobicContact CB-CD1 4.3Å; M167-L171 VanDerWaalsContact O-CB 3.26Å; M167-L171 WeakPolarHBondContact O-CB 3.18Å; M167-L171 WeakPolarHBondContact O-CD1 3.24Å; M167-L171 WeakPolarHBondContact O-CG 3.35Å; M167-L171 PolarHBondContact O-N 3.04Å; L171-Y173 PolarHBondContact O-N 2.98Å; L171-I174 HydrophobicContact CD2-CD1 3.63Å; L171-I174 HydrophobicContact CD2-CG1 4.26Å; L171-I174 PolarHBondContact O-N 3.41Å; L171-I174 VanDerWaalsContact O-N 3.12Å
172K33.2Very low41.1Very low182 Ų182100.8 Ų100.879%0.79150%0.501SS*.G310 helixtrans-56.1-12171.4-100.1-175.4174.4-177.50114.3S170S170-K172 PolarHBondContact O-N 3.34Å
173Y36.6Very low41.6Very low186 Ų18696.7 Ų96.773%0.72948%0.478SS*.G310 helixtrans-111.41.8-177.9-60.3-77.8000114.4L171L171-Y173 PolarHBondContact O-N 2.98Å
174I39.3Very low42.3Very low75 Ų7598.7 Ų98.739%0.38549%0.489SS..SBendtrans-95.1116.9172.1-53.6-169.9000107.4L171 L176L171-I174 HydrophobicContact CD2-CD1 3.63Å; L171-I174 HydrophobicContact CD2-CG1 4.26Å; L171-I174 PolarHBondContact O-N 3.41Å; L171-I174 VanDerWaalsContact O-N 3.12Å; I174-L176 PolarHBondContact O-N 3.14Å
175P38.9Very low43.3Very low76 Ų7698.9 Ų98.949%0.49449%0.489SS..  trans-58.4114173.321.2-28.6000108.8D177P175-D177 PolarHBondContact O-N 3.16Å; P175-D177 VanDerWaalsContact O-N 3.11Å
176L43Very low44.3Very low116 Ų11693 Ų9361%0.60746%0.462SS*.THydrogen-bonded Turntrans-66.9-5.9-178.9-72.8163.8000112.6Y149 I174 H178Y149-L176 HydrophobicContact CD2-CD2 4.37Å; Y149-L176 HydrophobicContact CE1-CD2 4.4Å; Y149-L176 HydrophobicContact CE2-CD2 3.87Å; I174-L176 PolarHBondContact O-N 3.14Å; L176-H178 PolarHBondContact O-N 3.49Å
177D44Very low45.8Very low145 Ų14588.1 Ų88.178%0.77544%0.436SS*.THydrogen-bonded Turntrans-73.4-7.4-178.6-50.6-10.2000112.6P175P175-D177 PolarHBondContact O-N 3.16Å; P175-D177 VanDerWaalsContact O-N 3.11Å
178H48Very low47.6Very low131 Ų13186.3 Ų86.361%0.60643%0.427SS*.SBendtrans-107.3106.5170.3-61.2-52.2000108.9L176 N180L176-H178 PolarHBondContact O-N 3.49Å; H178-N180 PolarHBondContact O-N 2.94Å
179E57.7Low49.4Very low148 Ų14880 Ų8069%0.69240%0.399SS*.SBendtrans-57.4-9.1177.7-66.1-174.6166.200113.7N148 Y149N148-E179 CarbonylContact C-O 3.53Å; N148-E179 VanDerWaalsContact CA-O 3.26Å; N148-E179 WeakPolarHBondContact CA-O 3.46Å; N148-E179 PolarHBondContact ND2-O 3.29Å; Y149-E179 PolarHBondContact N-O 3.28Å
180N53.1Low51.6Low78 Ų7876.9 Ų76.942%0.41737%0.374SS..EExtended strand (participates in β ladder)trans-119.1135.4-178.5-62.6-41.7000111.6E146 M147 N148 H178E146-N180 HydrophobicContact CB-CB 4.46Å; M147-N180 CarbonylContact O-C 3.48Å; M147-N180 WeakPolarHBondContact O-CA 3.15Å; N148-N180 WeakPolarHBondContact CA-OD1 3.32Å; H178-N180 PolarHBondContact O-N 2.94Å
181I51.4Low54Low20 Ų2073.4 Ų73.410%0.10335%0.35CS..EExtended strand (participates in β ladder)trans-98.3131.2168.6-57.6176.2000107.9M147 Y149 W152M147-I181 PolarHBondContact N-O 2.97Å; M147-I181 PolarHBondContact O-N 3.49Å; Y149-I181 HydrophobicContact CD2-CD1 3.48Å; Y149-I181 VanDerWaalsContact CD2-CD1 3.48Å; Y149-I181 HydrophobicContact CD2-CG1 3.81Å; Y149-I181 HydrophobicContact CE2-CD1 4.07Å; Y149-I181 HydrophobicContact CG-CD1 4.18Å; Y149-I181 HydrophobicContact CG-CG1 4.46Å; W152-I181 HydrophobicContact CB-CD1 3.81Å; W152-I181 HydrophobicContact CD2-CD1 3.33Å; W152-I181 HydrophobicContact CE3-CD1 3.25Å; W152-I181 HydrophobicContact CG-CD1 3.59Å; W152-I181 HydrophobicContact CZ3-CD1 3.94Å
182R50.5Low56.3Low159 Ų15972.3 Ų72.360%0.634%0.344SS*.EExtended strand (participates in β ladder)trans-83.6123168.9-171.2174179.2170.71.8109.5P144P144-R182 HydrophobicContact CB-CG 4.37Å
183M53.1Low58.8Low45 Ų4565 Ų6522%0.22232%0.316CS..EExtended strand (participates in β ladder)trans-124.4162.2174.256.2168.319.800110.5I107 P144 V145 M147I107-M183 HydrophobicContact CD1-CE 4Å; I107-M183 HydrophobicContact CG1-CE 4.5Å; P144-M183 CarbonylContact C-O 3.59Å; P144-M183 WeakPolarHBondContact CA-O 3.28Å; V145-M183 HydrophobicContact CB-CG 4.28Å; V145-M183 PolarHBondContact N-O 3.47Å; V145-M183 WeakPolarHBondContact O-CG 3.42Å; V145-M183 PolarHBondContact O-N 3.33Å; M147-M183 HydrophobicContact CB-SD 4.44Å; M147-M183 HydrophobicContact CE-CE 3.5Å; M147-M183 VanDerWaalsContact CE-CE 3.5Å; M147-M183 HydrophobicContact CE-SD 3.48Å; M147-M183 WeakPolarHBondContact CE-SD 3.49Å
184N51.5Low61.1Low90 Ų9057 Ų5748%0.48129%0.286SS..EExtended strand (participates in β ladder)trans-103120.6169.6-69.6-16.8000108.8D142 L143 P144D142-N184 HydrophobicContact CB-CB 4.11Å; L143-N184 CarbonylContact O-C 3.55Å; L143-N184 WeakPolarHBondContact O-CA 3.12Å; P144-N184 WeakPolarHBondContact CB-OD1 3.49Å
185E58.2Low62.9Low44 Ų4458.3 Ų58.321%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-93.9126.3170.3-173.1164.8-148.500108.8Y7 K102 L143 V145 L187Y7-E185 PolarHBondContact OH-OE2 3.12Å; K102-E185 WeakPolarHBondContact CD-OE1 3.46Å; K102-E185 VanDerWaalsContact CE-OE1 3.28Å; K102-E185 WeakPolarHBondContact CE-OE1 3.44Å; K102-E185 IonicContact NZ-OE1 2.68Å; K102-E185 PolarHBondContact NZ-OE1 3.02Å; K102-E185 IonicContact NZ-OE2 2.95Å; K102-E185 PolarHBondContact NZ-OE2 3.05Å; L143-E185 PolarHBondContact N-O 3.32Å; L143-E185 PolarHBondContact O-N 2.87Å; V145-E185 HydrophobicContact CG2-CB 3.72Å; E185-L187 HydrophobicContact CG-CD2 4.42Å
186Q60Low64Low17 Ų1757.7 Ų57.78%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-84.7127.4178.6-68.6-156.3-30.500111.3L103 W106 V140 I141 D142L103-Q186 HydrophobicContact CB-CB 4.06Å; L103-Q186 HydrophobicContact CD1-CB 4.19Å; L103-Q186 PolarHBondContact N-O 2.94Å; W106-Q186 HydrophobicContact CD2-CG 4.25Å; W106-Q186 HydrophobicContact CZ2-CG 4.3Å; W106-Q186 VanDerWaalsContact CZ2-NE2 3.28Å; W106-Q186 VanDerWaalsContact NE1-OE1 3.16Å; V140-Q186 HydrophobicContact CG1-CB 4.46Å; I141-Q186 WeakPolarHBondContact O-CA 3.43Å; D142-Q186 VanDerWaalsContact OD1-CG 3.29Å; D142-Q186 WeakPolarHBondContact OD1-CG 3.45Å; D142-Q186 PolarHBondContact OD1-NE2 2.96Å
187L68.1Low64.4Low3 Ų361.7 Ų61.72%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-114.2123.6175.3-56.4179.5000109.3I14 I100 K102 V140 I141 L143 E185 I189I14-L187 HydrophobicContact CD1-CD1 3.54Å; I100-L187 HydrophobicContact CG2-CB 4.43Å; I100-L187 HydrophobicContact CG2-CD1 4.34Å; K102-L187 HydrophobicContact CB-CD2 4.31Å; K102-L187 HydrophobicContact CG-CD2 3.63Å; V140-L187 WeakPolarHBondContact CA-O 3.17Å; I141-L187 HydrophobicContact CD1-CB 4.49Å; I141-L187 HydrophobicContact CD1-CD1 4.33Å; I141-L187 HydrophobicContact CG1-CB 3.87Å; I141-L187 HydrophobicContact CG1-CD1 4.49Å; I141-L187 PolarHBondContact N-O 2.77Å; I141-L187 PolarHBondContact O-N 2.89Å; L143-L187 HydrophobicContact CB-CD1 3.98Å; L143-L187 HydrophobicContact CB-CG 4.33Å; L143-L187 HydrophobicContact CD2-CD1 3.88Å; E185-L187 HydrophobicContact CG-CD2 4.42Å; L187-I189 HydrophobicContact CB-CG1 4.47Å
188L73.9Confident64.4Low2 Ų260.3 Ų60.31%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-81.1126.8162.8174.667.5000108.5I100 K101 L103 M122 W138 V140 I190I100-L188 WeakPolarHBondContact CA-O 3.28Å; K101-L188 PolarHBondContact N-O 3.24Å; K101-L188 PolarHBondContact O-N 3.42Å; L103-L188 HydrophobicContact CD1-CB 4.31Å; L103-L188 HydrophobicContact CD2-CB 3.88Å; L103-L188 HydrophobicContact CD2-CD2 4.48Å; L103-L188 HydrophobicContact CG-CB 4.06Å; M122-L188 HydrophobicContact CG-CD2 4.18Å; M122-L188 HydrophobicContact SD-CD2 3.89Å; W138-L188 HydrophobicContact CB-CD1 4.4Å; W138-L188 HydrophobicContact CD2-CD1 4.46Å; W138-L188 HydrophobicContact CE3-CD1 3.84Å; V140-L188 HydrophobicContact CG2-CD1 3.92Å; L188-I190 HydrophobicContact CD1-CG1 4.42Å; L188-I190 HydrophobicContact CD2-CD1 4.03Å; L188-I190 HydrophobicContact CD2-CG1 4.3Å; L188-I190 HydrophobicContact CG-CD1 4.32Å; L188-I190 HydrophobicContact CG-CG1 4.06Å
189I75.3Confident64.4Low1 Ų158.2 Ų58.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-118.9126.8-179.5-59.1-179.5000107.3I14 Y18 I99 I100 W138 D139 I141 L187I14-I189 HydrophobicContact CG2-CD1 3.34Å; Y18-I189 HydrophobicContact CD2-CD1 4.26Å; Y18-I189 HydrophobicContact CD2-CG2 4.31Å; Y18-I189 HydrophobicContact CE2-CB 4.44Å; Y18-I189 HydrophobicContact CE2-CD1 3.3Å; Y18-I189 HydrophobicContact CE2-CG1 4.43Å; Y18-I189 HydrophobicContact CE2-CG2 4.03Å; I99-I189 CarbonylContact O-C 3.53Å; I99-I189 WeakPolarHBondContact O-CA 3.14Å; I100-I189 HydrophobicContact CG1-CG1 4.43Å; W138-I189 CarbonylContact C-O 3.5Å; W138-I189 WeakPolarHBondContact CA-O 2.84Å; W138-I189 VanDerWaalsContact CB-O 3.29Å; W138-I189 WeakPolarHBondContact CB-O 3.44Å; D139-I189 PolarHBondContact N-O 3.37Å; D139-I189 PolarHBondContact O-N 2.97Å; I141-I189 HydrophobicContact CD1-CD1 3.5Å; I141-I189 HydrophobicContact CG1-CD1 3.7Å; I141-I189 HydrophobicContact CG1-CG1 4.49Å; I141-I189 HydrophobicContact CG2-CD1 4.34Å; L187-I189 HydrophobicContact CB-CG1 4.47Å
190I79.6Confident63.4Low0 Ų061.8 Ų61.80%030%0.3CS..EExtended strand (participates in β ladder)trans-124125.1-179.6-53.7167.2000107.2L98 I99 L125 F126 L129 I136 Q137 W138 L188L98-I190 CarbonylContact C-O 3.6Å; L98-I190 VanDerWaalsContact CA-O 3.32Å; L98-I190 WeakPolarHBondContact CA-O 3.5Å; I99-I190 HydrophobicContact CB-CB 4.16Å; I99-I190 HydrophobicContact CB-CD1 4.41Å; I99-I190 HydrophobicContact CG2-CD1 4.44Å; I99-I190 PolarHBondContact N-O 3.48Å; I99-I190 PolarHBondContact O-N 2.64Å; L125-I190 HydrophobicContact CD2-CD1 3.47Å; L125-I190 VanDerWaalsContact CD2-CD1 3.47Å; L125-I190 HydrophobicContact CG-CD1 4.29Å; F126-I190 HydrophobicContact CD1-CD1 4.32Å; F126-I190 HydrophobicContact CE1-CD1 3.63Å; F126-I190 HydrophobicContact CE1-CG1 3.94Å; F126-I190 HydrophobicContact CE1-CG2 4.27Å; L129-I190 HydrophobicContact CD1-CG2 4.09Å; I136-I190 HydrophobicContact CG2-CG2 3.43Å; I136-I190 VanDerWaalsContact CG2-CG2 3.43Å; Q137-I190 CarbonylContact O-C 3.58Å; Q137-I190 WeakPolarHBondContact O-CA 3.24Å; W138-I190 HydrophobicContact CB-CG1 4.13Å; L188-I190 HydrophobicContact CD1-CG1 4.42Å; L188-I190 HydrophobicContact CD2-CD1 4.03Å; L188-I190 HydrophobicContact CD2-CG1 4.3Å; L188-I190 HydrophobicContact CG-CD1 4.32Å; L188-I190 HydrophobicContact CG-CG1 4.06Å
191I82.6Confident62.7Low1 Ų160.6 Ų60.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-109.8112.7174-61.5165.1000107.4Y18 E20 K96 L98 Q137 I205Y18-I191 HydrophobicContact CG-CD1 4.46Å; E20-I191 HydrophobicContact CG-CD1 3.83Å; K96-I191 HydrophobicContact CB-CG2 4.4Å; K96-I191 HydrophobicContact CD-CG2 3.89Å; K96-I191 HydrophobicContact CG-CG2 4.34Å; L98-I191 HydrophobicContact CD2-CG1 4.37Å; L98-I191 HydrophobicContact CG-CG1 4.39Å; Q137-I191 HydrophobicContact CB-CB 4.47Å; Q137-I191 PolarHBondContact N-O 2.87Å; Q137-I191 PolarHBondContact O-N 3.39Å; I191-I205 HydrophobicContact CD1-CD1 3.93Å; I191-I205 HydrophobicContact CD1-CG1 4.05Å; I191-I205 HydrophobicContact CD1-CG2 3.67Å
192A85.3Confident62.3Low0 Ų063.1 Ų63.10%032%0.317CS..EExtended strand (participates in β ladder)trans-108.6119.9178.800000109.8K96 L97 L129 F134 N135K96-A192 WeakPolarHBondContact CA-O 2.89Å; L97-A192 HydrophobicContact CB-CB 4Å; L97-A192 HydrophobicContact CD2-CB 4.43Å; L97-A192 HydrophobicContact CG-CB 4.49Å; L97-A192 PolarHBondContact N-O 3.01Å; L97-A192 PolarHBondContact O-N 2.75Å; L129-A192 HydrophobicContact CD2-CB 4.04Å; F134-A192 HydrophobicContact CB-CB 3.8Å; F134-A192 HydrophobicContact CD1-CB 3.66Å; F134-A192 HydrophobicContact CE1-CB 4.39Å; F134-A192 HydrophobicContact CG-CB 3.81Å; N135-A192 CarbonylContact O-C 3.41Å; N135-A192 WeakPolarHBondContact O-CA 3.39Å
193S84.9Confident62Low29 Ų2963.5 Ų63.520%0.20332%0.323CS..EExtended strand (participates in β ladder)trans-107.7143.4177.7-50.70000110.1F134 N135 K195F134-S193 CarbonylContact C-O 3.52Å; F134-S193 WeakPolarHBondContact CA-O 3.33Å; N135-S193 PolarHBondContact N-O 3.45Å; N135-S193 PolarHBondContact O-N 2.95Å; S193-K195 PolarHBondContact O-N 2.8Å
194P85.5Confident61.5Low16 Ų1665.3 Ų65.310%0.10434%0.338CS..EExtended strand (participates in β ladder)trans-49.4134.6171.1-27.334000111.3L87 G95 L196L87-P194 HydrophobicContact CD1-CB 3.69Å; L87-P194 HydrophobicContact CD1-CG 3.77Å; G95-P194 WeakPolarHBondContact O-CD 3.18Å; P194-L196 PolarHBondContact O-N 2.97Å
195K76.9Confident61.4Low103 Ų10361.8 Ų61.845%0.44832%0.319SS..  trans-64.8108.3169.5-80.5174.5179.6165.30108.8L130 G133 F134 N135 S193L130-K195 PolarHBondContact O-NZ 3.13Å; G133-K195 VanDerWaalsContact O-CB 3.3Å; G133-K195 WeakPolarHBondContact O-CB 3.48Å; G133-K195 WeakPolarHBondContact O-CG 3.02Å; G133-K195 PolarHBondContact O-N 2.68Å; F134-K195 VanDerWaalsContact O-CE 3.22Å; F134-K195 WeakPolarHBondContact O-CE 3.43Å; N135-K195 HydrophobicContact CB-CG 4.48Å; N135-K195 WeakPolarHBondContact OD1-CG 3.49Å; S193-K195 PolarHBondContact O-N 2.8Å
196L62.2Low61.1Low63 Ų6368 Ų6833%0.3335%0.346SS..  trans-81.1140.3169.2-69.6174.8000109.8K92 P194 T198 D199K92-L196 WeakPolarHBondContact O-CD2 3.49Å; P194-L196 PolarHBondContact O-N 2.97Å; L196-T198 PolarHBondContact O-N 2.93Å; L196-D199 HydrophobicContact CB-CB 4.23Å; L196-D199 WeakPolarHBondContact CD1-OD2 3.4Å; L196-D199 PolarHBondContact O-N 3.06Å
197H50.5Low60.6Low200 Ų20070.1 Ų70.193%0.92635%0.353SS*.THydrogen-bonded Turntrans-60.2-13.6-179.9-84.9-70000113.7
198T45Very low59.5Low117 Ų11771.6 Ų71.672%0.71836%0.363SS*.THydrogen-bonded Turntrans-113.9-5.9-171.748.30000114.7L196 F200L196-T198 PolarHBondContact O-N 2.93Å; T198-F200 PolarHBondContact O-N 3.2Å
199D46.4Very low58.2Low86 Ų8677.9 Ų77.946%0.4640%0.396SS..  trans-99.875.1-168.8-74.3-1.5000112.5L196 G201L196-D199 HydrophobicContact CB-CB 4.23Å; L196-D199 WeakPolarHBondContact CD1-OD2 3.4Å; L196-D199 PolarHBondContact O-N 3.06Å; D199-G201 PolarHBondContact O-N 3.07Å; D199-G201 VanDerWaalsContact O-N 3.08Å
200F37.3Very low56.8Low223 Ų22384.8 Ų84.898%0.97843%0.426SS*.  trans-78.367.6159.3-86.6-88000109.8T198T198-F200 PolarHBondContact O-N 3.2Å
201G37.9Very low55Low53 Ų5385.7 Ų85.755%0.54643%0.433SS..  trans179.1101.1174.800000113.9D199D199-G201 PolarHBondContact O-N 3.07Å; D199-G201 VanDerWaalsContact O-N 3.08Å
202F42.7Very low53.4Low73 Ų7389.1 Ų89.132%0.3245%0.448SS..PPolyproline II helixtrans-76.6122.8168.2-87.5-98.8000110.3N135 I136 Q137N135-F202 HydrophobicContact CB-CE1 3.62Å; N135-F202 HydrophobicContact CB-CE2 3.98Å; N135-F202 HydrophobicContact CB-CZ 3.17Å; N135-F202 WeakPolarHBondContact OD1-CE2 3.45Å; N135-F202 WeakPolarHBondContact OD1-CZ 3.34Å; I136-F202 VanDerWaalsContact O-CE1 3.29Å; I136-F202 WeakPolarHBondContact O-CE1 3.35Å; Q137-F202 HydrophobicContact CG-CD1 3.83Å; Q137-F202 HydrophobicContact CG-CE1 4.04Å
203K44.3Very low51.5Low167 Ų16794.7 Ų94.773%0.72647%0.469SS*.PPolyproline II helixtrans-87.6135.3168.9-66.7175.9-177.4168.40109Q137Q137-K203 VanDerWaalsContact CD-O 3.29Å; Q137-K203 PolarHBondContact NE2-O 3.16Å; Q137-K203 PolarHBondContact OE1-O 2.82Å
204P42.6Very low49.7Very low84 Ų8498.2 Ų98.255%0.54548%0.481SS..PPolyproline II helixtrans-55.6147.4173.322.3-31.5000110.9K206 V228P204-K206 PolarHBondContact O-N 3.16Å; P204-K206 VanDerWaalsContact O-N 3.11Å; P204-V228 HydrophobicContact CB-CG1 4.11Å
205I50.4Low47.6Very low15 Ų15103.8 Ų103.88%0.07752%0.517CS..PPolyproline II helixtrans-58.6119.8178-52.9165.7000107.9Y18 Q137 D139 I191 R207Y18-I205 HydrophobicContact CD1-CB 4.48Å; Y18-I205 HydrophobicContact CD1-CG2 3.35Å; Y18-I205 HydrophobicContact CE1-CG2 4Å; Y18-I205 HydrophobicContact CG-CG2 4.23Å; Q137-I205 HydrophobicContact CB-CD1 3.76Å; Q137-I205 HydrophobicContact CB-CG1 3.6Å; Q137-I205 HydrophobicContact CG-CG1 4.37Å; D139-I205 HydrophobicContact CB-CD1 4.21Å; I191-I205 HydrophobicContact CD1-CD1 3.93Å; I191-I205 HydrophobicContact CD1-CG1 4.05Å; I191-I205 HydrophobicContact CD1-CG2 3.67Å; I205-R207 PolarHBondContact O-N 3.43Å
206K51.4Low45.9Very low175 Ų175103.6 Ų103.676%0.76153%0.525SS*.  trans-76.3112.7174.4-75.4-173.1178-177.80108.5Y18 P204Y18-K206 CarbonylContact C-O 3.41Å; P204-K206 PolarHBondContact O-N 3.16Å; P204-K206 VanDerWaalsContact O-N 3.11Å
207R48.9Very low44.8Very low62 Ų62107 Ų10723%0.23454%0.544CS..  trans-78.9124.1167.8-63.7179.6-177166.25.5109F17 Y18 D139 I205 N224F17-R207 HydrophobicContact CE1-CB 3.83Å; F17-R207 HydrophobicContact CE1-CG 3.85Å; F17-R207 HydrophobicContact CZ-CB 3.9Å; F17-R207 HydrophobicContact CZ-CG 4.33Å; Y18-R207 HydrophobicContact CD1-CG 4.26Å; Y18-R207 HydrophobicContact CE1-CG 4.05Å; D139-R207 IonicContact OD1-CZ 3.92Å; D139-R207 IonicContact OD1-NH2 2.82Å; D139-R207 PolarHBondContact OD1-NH2 3.08Å; D139-R207 IonicContact OD2-CZ 3.2Å; D139-R207 IonicContact OD2-NE 2.91Å; D139-R207 PolarHBondContact OD2-NE 3.24Å; D139-R207 IonicContact OD2-NH2 2.78Å; D139-R207 PolarHBondContact OD2-NH2 3.1Å; I205-R207 PolarHBondContact O-N 3.43Å; R207-N224 PolarHBondContact NH1-O 3.42Å
208S46.9Very low44.1Very low33 Ų33106.4 Ų106.423%0.23154%0.538CS..  trans-78.3125.8168.6177.30000109.2F17 K210F17-S208 WeakPolarHBondContact CD2-O 3.48Å; F17-S208 WeakPolarHBondContact CE2-O 3.13Å; F17-S208 WeakPolarHBondContact O-CA 3.32Å; F17-S208 WeakPolarHBondContact O-CB 3.24Å; F17-S208 PolarHBondContact O-N 3.36Å; S208-K210 PolarHBondContact O-N 2.98Å; S208-K210 VanDerWaalsContact O-N 3.16Å; S208-K210 PolarHBondContact OG-N 3.22Å
209L46.3Very low43.8Very low135 Ų135101.7 Ų101.771%0.70751%0.51SS*.SBendtrans-73.72.6172.5-69.2168.8000113.1
210K44.4Very low43.5Very low146 Ų146101.3 Ų101.364%0.63551%0.514SS*.  trans-104.6128.8-174.9-58.6-174.8-179.2-179.40110.9S208S208-K210 PolarHBondContact O-N 2.98Å; S208-K210 VanDerWaalsContact O-N 3.16Å; S208-K210 PolarHBondContact OG-N 3.22Å
211S43Very low43.7Very low19 Ų1992.9 Ų92.913%0.13348%0.479CS..  trans-83144.6167163.60000109.8E13 Y213 K214E13-S211 WeakPolarHBondContact OE1-CB 3.48Å; E13-S211 PolarHBondContact OE1-OG 2.88Å; S211-Y213 VanDerWaalsContact C-N 3.27Å; S211-Y213 PolarHBondContact OG-N 3.39Å; S211-Y213 VanDerWaalsContact OG-N 3.08Å; S211-K214 PolarHBondContact OG-N 3.13Å
212K48.5Very low44Very low73 Ų7391.6 Ų91.632%0.31746%0.458SS..SBendtrans-67.1-29.6172.4-168.1173.8-178.7173.60112.4Y16Y16-K212 HydrophobicContact CD1-CB 3.67Å; Y16-K212 HydrophobicContact CD2-CB 4.23Å; Y16-K212 HydrophobicContact CD2-CD 3.99Å; Y16-K212 HydrophobicContact CD2-CG 4.3Å; Y16-K212 HydrophobicContact CE1-CB 3.91Å; Y16-K212 HydrophobicContact CE2-CB 4.44Å; Y16-K212 HydrophobicContact CE2-CD 4.29Å; Y16-K212 HydrophobicContact CE2-CG 4.29Å; Y16-K212 HydrophobicContact CG-CB 3.84Å; Y16-K212 HydrophobicContact CG-CD 4.29Å; Y16-K212 HydrophobicContact CG-CG 4.4Å
213Y45.2Very low43.9Very low116 Ų11694 Ų9446%0.45547%0.469SS..SBendtrans-111.6-9.9-169.3-61.8-68.4000114.2E13 S211E13-Y213 HydrophobicContact CB-CD2 4.31Å; E13-Y213 HydrophobicContact CB-CE2 4.4Å; E13-Y213 HydrophobicContact CG-CD2 4.42Å; S211-Y213 VanDerWaalsContact C-N 3.27Å; S211-Y213 PolarHBondContact OG-N 3.39Å; S211-Y213 VanDerWaalsContact OG-N 3.08Å
214K48.1Very low43.7Very low103 Ų10390.4 Ų90.445%0.44846%0.459SS..  trans-120.5105.5178.7-66.6-178.5-176.5171.50110.6S211 T216S211-K214 PolarHBondContact OG-N 3.13Å; K214-T216 PolarHBondContact O-N 3.48Å; K214-T216 VanDerWaalsContact O-N 3.15Å
215P41.4Very low43.3Very low134 Ų13492.4 Ų92.487%0.8747%0.469SS*.  trans-70.7-3.7177.926.4-31.8000113.6
216T41.3Very low42.6Very low98 Ų9894.8 Ų94.860%0.60148%0.484SS*.SBendtrans-104.7124.9178.453.20000110.5K214 K218K214-T216 PolarHBondContact O-N 3.48Å; K214-T216 VanDerWaalsContact O-N 3.15Å; T216-K218 PolarHBondContact O-N 3.44Å
217N38.1Very low41.6Very low136 Ų13692.9 Ų92.973%0.72748%0.483SS*.SBendtrans-59.618.3-177.7-109.1-2.2000116
218K36.6Very low40.6Very low187 Ų18793 Ų9381%0.81349%0.49SS*.  trans-101.539179.1-67.7-170.9178.1-178.30112.2T216 S220T216-K218 PolarHBondContact O-N 3.44Å; K218-S220 PolarHBondContact O-N 2.98Å
219C37.3Very low39.7Very low17 Ų17100.3 Ų100.312%0.11551%0.513CS..  trans-79.575.7166.8-142.60000108.6L221C219-L221 PolarHBondContact O-N 3.06Å; C219-L221 VanDerWaalsContact SG-CD1 3.5Å
220S40.8Very low38.8Very low79 Ų7997 Ų9755%0.55250%0.5SS*.G310 helixtrans-61.9-8171.465.60000112.6K218 Y222K218-S220 PolarHBondContact O-N 2.98Å; S220-Y222 PolarHBondContact O-N 3.18Å
221L42.3Very low38.1Very low45 Ų4592.9 Ų92.924%0.23648%0.484CS..G310 helixtrans-58.2-29-178.9-75.8159.2000113.8P144 C219P144-L221 HydrophobicContact CB-CD2 4.38Å; P144-L221 HydrophobicContact CG-CD2 2.98Å; P144-L221 HydrophobicContact CG-CG 4.41Å; C219-L221 PolarHBondContact O-N 3.06Å; C219-L221 VanDerWaalsContact SG-CD1 3.5Å
222Y43.3Very low37.5Very low27 Ų2797.6 Ų97.611%0.10650%0.502CS..G310 helixtrans-12716.7-172.8-51.8-77.4000113.8I14 F17 I141 S220 N224I14-Y222 HydrophobicContact CG1-CE1 4.3Å; F17-Y222 HydrophobicContact CD1-CD1 4.21Å; F17-Y222 HydrophobicContact CD1-CG 4.25Å; F17-Y222 HydrophobicContact CD2-CD1 4.43Å; F17-Y222 AromaticContact CD2-CD2 3.67Å; F17-Y222 HydrophobicContact CD2-CD2 3.67Å; F17-Y222 HydrophobicContact CD2-CE2 4.28Å; F17-Y222 AromaticContact CD2-CG 3.76Å; F17-Y222 HydrophobicContact CD2-CG 3.76Å; F17-Y222 HydrophobicContact CE1-CD1 4.29Å; F17-Y222 HydrophobicContact CE1-CG 4.13Å; F17-Y222 AromaticContact CE2-CD2 3.84Å; F17-Y222 HydrophobicContact CE2-CD2 3.84Å; F17-Y222 AromaticContact CE2-CG 3.65Å; F17-Y222 HydrophobicContact CE2-CG 3.65Å; F17-Y222 HydrophobicContact CG-CD1 4.31Å; F17-Y222 HydrophobicContact CG-CD2 4.22Å; F17-Y222 HydrophobicContact CG-CG 4.08Å; F17-Y222 HydrophobicContact CZ-CD1 4.46Å; F17-Y222 AromaticContact CZ-CG 3.86Å; F17-Y222 HydrophobicContact CZ-CG 3.86Å; I141-Y222 HydrophobicContact CD1-CE1 4.3Å; S220-Y222 PolarHBondContact O-N 3.18Å; Y222-N224 PolarHBondContact O-N 3.49Å
223Q40.6Very low36.8Very low122 Ų12298.8 Ų98.857%0.5751%0.51SS*.  trans-78.77.7-176.7-72.3-178-20.600114.2T225Q223-T225 PolarHBondContact O-N 3.32Å
224N39.2Very low36.1Very low93 Ų9395.7 Ų95.750%0.49750%0.504SS..  trans-70.8100.8172.5-96.6-8.8000110.1D142 R207 Y222 T226D142-N224 PolarHBondContact OD2-ND2 2.86Å; R207-N224 PolarHBondContact NH1-O 3.42Å; Y222-N224 PolarHBondContact O-N 3.49Å; N224-T226 PolarHBondContact O-N 3.11Å
225T35.7Very low35.5Very low126 Ų12696.3 Ų96.377%0.77352%0.518SS*.  trans-74.435.8174.854.70000112.6Q223 D227Q223-T225 PolarHBondContact O-N 3.32Å; T225-D227 PolarHBondContact O-N 3.16Å; T225-D227 VanDerWaalsContact O-N 3.15Å
226T35.1Very low34.9Very low64 Ų6496.7 Ų96.739%0.39351%0.508SS..  trans-62.8119.8175.5-7.10000108.5N224 V228N224-T226 PolarHBondContact O-N 3.11Å; T226-V228 PolarHBondContact O-N 2.88Å
227D29.4Very low34.5Very low136 Ų13693.7 Ų93.773%0.72749%0.488SS*.  trans-46.2126.5-170.8-65.5-53.3000112.7T225 W229T225-D227 PolarHBondContact O-N 3.16Å; T225-D227 VanDerWaalsContact O-N 3.15Å; D227-W229 PolarHBondContact O-N 3.11Å
228V29.6Very low34.3Very low65 Ų6594.3 Ų94.339%0.39448%0.484SS..  trans-78.8111.1174.7177.90000108.3P204 T226 P230P204-V228 HydrophobicContact CB-CG1 4.11Å; T226-V228 PolarHBondContact O-N 2.88Å; V228-P230 WeakPolarHBondContact O-CD 3.42Å
229W27.6Very low34.3Very low185 Ų18591.8 Ų91.870%0.70148%0.48SS*.  trans-103.2110.5174.5-72.874.3000110.3D227 L231D227-W229 PolarHBondContact O-N 3.11Å; W229-L231 PolarHBondContact O-N 2.75Å; W229-L231 VanDerWaalsContact O-N 3.15Å
230P26.7Very low33.9Very low66 Ų6694 Ų9443%0.42949%0.49SS..  trans-67.2111.8169.425.6-30.2000109.5V228 F232V228-P230 WeakPolarHBondContact O-CD 3.42Å; P230-F232 HydrophobicContact CB-CD2 4.45Å; P230-F232 HydrophobicContact CB-CE2 4.11Å; P230-F232 HydrophobicContact CG-CE2 3.95Å; P230-F232 WeakPolarHBondContact O-CD2 3.4Å; P230-F232 PolarHBondContact O-N 3.4Å; P230-F232 VanDerWaalsContact O-N 3.07Å
231L29.3Very low33.7Very low59 Ų5991.7 Ų91.731%0.30947%0.472SS..  trans-75.592.2170.8-100.3151000109.1W138 W229 M233 I237 V241W138-L231 HydrophobicContact CZ2-CD1 3.79Å; W138-L231 VanDerWaalsContact NE1-CD1 3.3Å; W229-L231 PolarHBondContact O-N 2.75Å; W229-L231 VanDerWaalsContact O-N 3.15Å; L231-M233 PolarHBondContact O-N 3.4Å; L231-M233 VanDerWaalsContact O-N 3.13Å; L231-I237 HydrophobicContact CD2-CG2 4.13Å; L231-V241 HydrophobicContact CD2-CG2 3.97Å
232F31.1Very low33.7Very low118 Ų11893.7 Ų93.752%0.51848%0.483SS..  trans-64.1107167.4-73.1-87.7000109.1P230 T234 I237P230-F232 HydrophobicContact CB-CD2 4.45Å; P230-F232 HydrophobicContact CB-CE2 4.11Å; P230-F232 HydrophobicContact CG-CE2 3.95Å; P230-F232 WeakPolarHBondContact O-CD2 3.4Å; P230-F232 PolarHBondContact O-N 3.4Å; P230-F232 VanDerWaalsContact O-N 3.07Å; F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 PolarHBondContact O-N 2.87Å; F232-I237 HydrophobicContact CB-CD1 4.11Å; F232-I237 WeakPolarHBondContact O-CB 3.4Å; F232-I237 WeakPolarHBondContact O-CD1 3.47Å; F232-I237 VanDerWaalsContact O-CG2 3.28Å; F232-I237 WeakPolarHBondContact O-CG2 3.5Å
233M33Very low33.4Very low98 Ų9899.6 Ų99.648%0.48351%0.512SS..  trans-80.176.1175.5-84-80.2-76.800110.9L130 L231 I237 V241L130-M233 HydrophobicContact CD1-CE 3.19Å; L130-M233 HydrophobicContact CD1-CG 4.06Å; L130-M233 HydrophobicContact CD1-SD 4.37Å; L231-M233 PolarHBondContact O-N 3.4Å; L231-M233 VanDerWaalsContact O-N 3.13Å; M233-I237 HydrophobicContact SD-CG2 4.33Å; M233-V241 HydrophobicContact SD-CG2 4.11Å
234T32.3Very low33.3Very low52 Ų5298.5 Ų98.532%0.31951%0.507SS..  trans-81.9159.416563.50000110.4F232 Q236 I237 K238F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 PolarHBondContact O-N 2.87Å; T234-Q236 PolarHBondContact O-N 2.77Å; T234-Q236 VanDerWaalsContact O-N 3.13Å; T234-I237 WeakPolarHBondContact O-CA 3.39Å; T234-I237 PolarHBondContact O-N 3.12Å; T234-I237 WeakPolarHBondContact OG1-CG1 3.39Å; T234-I237 PolarHBondContact OG1-N 3.21Å; T234-K238 PolarHBondContact O-N 3.26Å
235P33.9Very low33.4Very low115 Ų11595.1 Ų95.175%0.74749%0.492SS*.Hα-helixtrans-54.1-30.1173.3-26.534.9000113.5I237 K238P235-I237 VanDerWaalsContact C-N 3.35Å; P235-K238 WeakPolarHBondContact O-CB 3.26Å; P235-K238 PolarHBondContact O-N 3.27Å
236Q28.8Very low33.7Very low143 Ų14396.8 Ų96.867%0.66848%0.484SS*.Hα-helixtrans-68.4-34.4172.6-66.9136.2-14.400111.8T234 K238 N239 I240T234-Q236 PolarHBondContact O-N 2.77Å; T234-Q236 VanDerWaalsContact O-N 3.13Å; Q236-K238 VanDerWaalsContact C-N 3.3Å; Q236-K238 PolarHBondContact O-N 2.95Å; Q236-N239 PolarHBondContact O-N 3.43Å; Q236-I240 WeakPolarHBondContact O-CD1 3.41Å; Q236-I240 WeakPolarHBondContact O-CG1 3.32Å; Q236-I240 PolarHBondContact O-N 3.03Å
237I33Very low34Very low35 Ų35100.2 Ų100.218%0.17949%0.493CS..Hα-helixtrans-75-18.9178-72.2172.8000112.5L231 F232 M233 T234 P235 N239 I240 V241L231-I237 HydrophobicContact CD2-CG2 4.13Å; F232-I237 HydrophobicContact CB-CD1 4.11Å; F232-I237 WeakPolarHBondContact O-CB 3.4Å; F232-I237 WeakPolarHBondContact O-CD1 3.47Å; F232-I237 VanDerWaalsContact O-CG2 3.28Å; F232-I237 WeakPolarHBondContact O-CG2 3.5Å; M233-I237 HydrophobicContact SD-CG2 4.33Å; T234-I237 WeakPolarHBondContact O-CA 3.39Å; T234-I237 PolarHBondContact O-N 3.12Å; T234-I237 WeakPolarHBondContact OG1-CG1 3.39Å; T234-I237 PolarHBondContact OG1-N 3.21Å; P235-I237 VanDerWaalsContact C-N 3.35Å; I237-N239 PolarHBondContact O-N 3.27Å; I237-I240 HydrophobicContact CG1-CD1 4.16Å; I237-I240 PolarHBondContact O-N 2.87Å; I237-I240 VanDerWaalsContact O-N 3.1Å; I237-V241 HydrophobicContact CG2-CG2 3.51Å; I237-V241 WeakPolarHBondContact O-CB 3.32Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 2.88Å
238K34.1Very low34.6Very low148 Ų14895.4 Ų95.464%0.64347%0.467SS*.Hα-helixtrans-59.8-32.1169.4-145.9175.6-173.11780113T234 P235 Q236T234-K238 PolarHBondContact O-N 3.26Å; P235-K238 WeakPolarHBondContact O-CB 3.26Å; P235-K238 PolarHBondContact O-N 3.27Å; Q236-K238 VanDerWaalsContact C-N 3.3Å; Q236-K238 PolarHBondContact O-N 2.95Å
239N36.8Very low35.2Very low135 Ų13594.9 Ų94.972%0.72246%0.462SS*.Hα-helixtrans-85.6-30.3173-75.2-13.3000112.4Q236 I237Q236-N239 PolarHBondContact O-N 3.43Å; I237-N239 PolarHBondContact O-N 3.27Å
240I30.3Very low35.8Very low64 Ų6489.7 Ų89.733%0.32845%0.447SS..Hα-helixtrans-80.3-31.3-177.4-62.8167.3000112.3Q236 I237 N242 E243 Q244Q236-I240 WeakPolarHBondContact O-CD1 3.41Å; Q236-I240 WeakPolarHBondContact O-CG1 3.32Å; Q236-I240 PolarHBondContact O-N 3.03Å; I237-I240 HydrophobicContact CG1-CD1 4.16Å; I237-I240 PolarHBondContact O-N 2.87Å; I237-I240 VanDerWaalsContact O-N 3.1Å; I240-N242 PolarHBondContact O-N 3.13Å; I240-N242 VanDerWaalsContact O-N 3.14Å; I240-E243 PolarHBondContact O-N 2.93Å; I240-E243 VanDerWaalsContact O-N 3.11Å; I240-Q244 HydrophobicContact CG2-CB 3.83Å; I240-Q244 HydrophobicContact CG2-CG 3.41Å; I240-Q244 VanDerWaalsContact CG2-CG 3.41Å; I240-Q244 WeakPolarHBondContact O-CB 3.35Å; I240-Q244 PolarHBondContact O-N 3.12Å
241V35.5Very low36.5Very low29 Ų2990.5 Ų90.518%0.17645%0.448CS..Hα-helixtrans-59.1-25.1176.71660000111.9L231 M233 I237 A245L231-V241 HydrophobicContact CD2-CG2 3.97Å; M233-V241 HydrophobicContact SD-CG2 4.11Å; I237-V241 HydrophobicContact CG2-CG2 3.51Å; I237-V241 WeakPolarHBondContact O-CB 3.32Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 2.88Å; V241-A245 HydrophobicContact CG1-CB 4.28Å; V241-A245 WeakPolarHBondContact O-CB 3.45Å; V241-A245 PolarHBondContact O-N 3.14Å
242N41.8Very low36.7Very low87 Ų8789.8 Ų89.847%0.46545%0.448SS..Hα-helixtrans-69.3-38.1176-81.5-16000113.4R123 I240R123-N242 PolarHBondContact NH1-OD1 3.33Å; R123-N242 PolarHBondContact NH2-O 3.1Å; I240-N242 PolarHBondContact O-N 3.13Å; I240-N242 VanDerWaalsContact O-N 3.14Å
243E37.8Very low37Very low151 Ų15185.7 Ų85.771%0.70643%0.431SS*.Hα-helixtrans-97.6-38.2178.7-72.7-157.4153.200113.7I240 K247I240-E243 PolarHBondContact O-N 2.93Å; I240-E243 VanDerWaalsContact O-N 3.11Å; E243-K247 PolarHBondContact O-N 2.94Å; E243-K247 VanDerWaalsContact O-N 3.13Å
244Q38.6Very low37.2Very low100 Ų10086.6 Ų86.647%0.46743%0.432SS..Hα-helixtrans-78.1-33.3-178.1-75.5-171.9-0.400112.7I240 R246 K247 I248I240-Q244 HydrophobicContact CG2-CB 3.83Å; I240-Q244 HydrophobicContact CG2-CG 3.41Å; I240-Q244 VanDerWaalsContact CG2-CG 3.41Å; I240-Q244 WeakPolarHBondContact O-CB 3.35Å; I240-Q244 PolarHBondContact O-N 3.12Å; Q244-R246 PolarHBondContact O-N 3.34Å; Q244-K247 CarbonylContact O-C 3.56Å; Q244-K247 PolarHBondContact O-N 2.9Å; Q244-K247 VanDerWaalsContact O-N 3.14Å; Q244-I248 HydrophobicContact CB-CD1 4.43Å; Q244-I248 WeakPolarHBondContact O-CB 3.08Å; Q244-I248 WeakPolarHBondContact O-CD1 3.39Å; Q244-I248 WeakPolarHBondContact O-CG1 3.21Å; Q244-I248 PolarHBondContact O-N 3.12Å
245A40.4Very low37.4Very low22 Ų2287.1 Ų87.118%0.18244%0.436CS..Hα-helixtrans-62.3-37.5173.500000110.9V241 I248 I249V241-A245 HydrophobicContact CG1-CB 4.28Å; V241-A245 WeakPolarHBondContact O-CB 3.45Å; V241-A245 PolarHBondContact O-N 3.14Å; A245-I248 PolarHBondContact O-N 2.98Å; A245-I249 WeakPolarHBondContact O-CB 3.1Å; A245-I249 WeakPolarHBondContact O-CD1 3.2Å; A245-I249 WeakPolarHBondContact O-CG1 3.26Å; A245-I249 PolarHBondContact O-N 3.31Å
246R42.1Very low37.4Very low161 Ų16183 Ų8361%0.60841%0.408SS*.Hα-helixtrans-61.5-47.9171.9-171.2-177.8-178.6-174.13.4111.2Q244 I248 L250Q244-R246 PolarHBondContact O-N 3.34Å; R246-I248 VanDerWaalsContact C-N 3.35Å; R246-I248 PolarHBondContact O-N 3.05Å; R246-L250 HydrophobicContact CG-CD1 3.84Å; R246-L250 HydrophobicContact CG-CG 4.45Å; R246-L250 VanDerWaalsContact O-CB 3.22Å; R246-L250 WeakPolarHBondContact O-CB 3.27Å; R246-L250 WeakPolarHBondContact O-CD1 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.11Å; R246-L250 PolarHBondContact O-N 3.24Å
247K42.1Very low37.7Very low135 Ų13580.6 Ų80.659%0.58740%0.4SS*.Hα-helixtrans-62.1-38.9175.1-90.3178.3177.4169.10112.9E243 Q244 N251E243-K247 PolarHBondContact O-N 2.94Å; E243-K247 VanDerWaalsContact O-N 3.13Å; Q244-K247 CarbonylContact O-C 3.56Å; Q244-K247 PolarHBondContact O-N 2.9Å; Q244-K247 VanDerWaalsContact O-N 3.14Å; K247-N251 WeakPolarHBondContact O-CB 3.5Å; K247-N251 PolarHBondContact O-N 3.14Å; K247-N251 PolarHBondContact O-ND2 3.1Å
248I42.1Very low37.9Very low36 Ų3686.3 Ų86.319%0.18542%0.423CS..Hα-helixtrans-67-53.2179.4-70162.9000108.8W138 Q244 A245 R246 L250 N251 S252W138-I248 HydrophobicContact CH2-CG2 3.85Å; W138-I248 HydrophobicContact CZ2-CG2 4.22Å; Q244-I248 HydrophobicContact CB-CD1 4.43Å; Q244-I248 WeakPolarHBondContact O-CB 3.08Å; Q244-I248 WeakPolarHBondContact O-CD1 3.39Å; Q244-I248 WeakPolarHBondContact O-CG1 3.21Å; Q244-I248 PolarHBondContact O-N 3.12Å; A245-I248 PolarHBondContact O-N 2.98Å; R246-I248 VanDerWaalsContact C-N 3.35Å; R246-I248 PolarHBondContact O-N 3.05Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 3.38Å; I248-N251 CarbonylContact O-C 3.44Å; I248-N251 PolarHBondContact O-N 3.01Å; I248-N251 VanDerWaalsContact O-N 3.08Å; I248-S252 PolarHBondContact O-N 3.44Å; I248-S252 PolarHBondContact O-OG 2.82Å
249I41.1Very low37.9Very low53 Ų5385.7 Ų85.727%0.27242%0.423SS..Hα-helixtrans-55.6-48.5175.3-66.8163.5000110.6M122 A245 N251 S252 I253M122-I249 HydrophobicContact CE-CD1 3.6Å; M122-I249 HydrophobicContact CE-CG1 4.42Å; A245-I249 WeakPolarHBondContact O-CB 3.1Å; A245-I249 WeakPolarHBondContact O-CD1 3.2Å; A245-I249 WeakPolarHBondContact O-CG1 3.26Å; A245-I249 PolarHBondContact O-N 3.31Å; I249-N251 VanDerWaalsContact C-N 3.35Å; I249-N251 PolarHBondContact O-N 2.79Å; I249-S252 PolarHBondContact O-N 3.3Å; I249-I253 HydrophobicContact CG2-CD1 3.8Å; I249-I253 WeakPolarHBondContact O-CD1 3.32Å; I249-I253 WeakPolarHBondContact O-CG1 3.34Å; I249-I253 PolarHBondContact O-N 2.98Å; I249-I253 VanDerWaalsContact O-N 3.14Å
250L40.8Very low37.9Very low76 Ų7686.5 Ų86.540%0.39842%0.417SS..Hα-helixtrans-64.1-36.1177.4-72.2170.5000113R246 I248 I253 K254R246-L250 HydrophobicContact CG-CD1 3.84Å; R246-L250 HydrophobicContact CG-CG 4.45Å; R246-L250 VanDerWaalsContact O-CB 3.22Å; R246-L250 WeakPolarHBondContact O-CB 3.27Å; R246-L250 WeakPolarHBondContact O-CD1 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.11Å; R246-L250 PolarHBondContact O-N 3.24Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 3.38Å; L250-I253 PolarHBondContact O-N 2.94Å; L250-K254 VanDerWaalsContact O-CG 3.31Å; L250-K254 WeakPolarHBondContact O-CG 3.44Å; L250-K254 PolarHBondContact O-N 3.49Å
251N41Very low38.2Very low83 Ų8390.7 Ų90.744%0.44443%0.432SS..Hα-helixtrans-77.5-26.3178.5-74.1-15000112.5K247 I248 I249 I253 K254 P255K247-N251 WeakPolarHBondContact O-CB 3.5Å; K247-N251 PolarHBondContact O-N 3.14Å; K247-N251 PolarHBondContact O-ND2 3.1Å; I248-N251 CarbonylContact O-C 3.44Å; I248-N251 PolarHBondContact O-N 3.01Å; I248-N251 VanDerWaalsContact O-N 3.08Å; I249-N251 VanDerWaalsContact C-N 3.35Å; I249-N251 PolarHBondContact O-N 2.79Å; N251-I253 VanDerWaalsContact C-N 3.31Å; N251-K254 PolarHBondContact OD1-NZ 3.04Å; N251-P255 WeakPolarHBondContact O-CD 3.33Å
252S35.1Very low38.4Very low44 Ų4497.5 Ų97.531%0.30846%0.46SS..Hα-helixtrans-69.2-30.8169.2-51.10000111.7I248 I249I248-S252 PolarHBondContact O-N 3.44Å; I248-S252 PolarHBondContact O-OG 2.82Å; I249-S252 PolarHBondContact O-N 3.3Å
253I36.8Very low38.4Very low32 Ų3298.2 Ų98.216%0.16447%0.467CS..Hα-helixtrans-85.6-28.8179.6-60.8163.1000112.3W106 I249 L250 N251 I256 N257W106-I253 HydrophobicContact CH2-CG2 4.47Å; W106-I253 HydrophobicContact CZ2-CG1 4.07Å; W106-I253 HydrophobicContact CZ2-CG2 4.49Å; I249-I253 HydrophobicContact CG2-CD1 3.8Å; I249-I253 WeakPolarHBondContact O-CD1 3.32Å; I249-I253 WeakPolarHBondContact O-CG1 3.34Å; I249-I253 PolarHBondContact O-N 2.98Å; I249-I253 VanDerWaalsContact O-N 3.14Å; L250-I253 PolarHBondContact O-N 2.94Å; N251-I253 VanDerWaalsContact C-N 3.31Å; I253-I256 PolarHBondContact O-N 3.21Å; I253-I256 VanDerWaalsContact O-N 3.16Å; I253-N257 PolarHBondContact O-N 3.34Å
254K36.2Very low38.6Very low117 Ų11796.4 Ų96.451%0.50946%0.462SS..Hα-helixtrans-57.2-40-177.8-89.5174.2-169.1166.30115.7L250 N251 I256 N257 K258L250-K254 VanDerWaalsContact O-CG 3.31Å; L250-K254 WeakPolarHBondContact O-CG 3.44Å; L250-K254 PolarHBondContact O-N 3.49Å; N251-K254 PolarHBondContact OD1-NZ 3.04Å; K254-I256 VanDerWaalsContact C-N 3.26Å; K254-I256 PolarHBondContact O-N 3.27Å; K254-N257 PolarHBondContact O-N 2.91Å; K254-K258 PolarHBondContact O-N 2.78Å
255P37.6Very low38.7Very low63 Ų6399.3 Ų99.341%0.40948%0.476SS..Hα-helixtrans-60.2-36.7176-24.532.5000112.5N251 K258 Q259N251-P255 WeakPolarHBondContact O-CD 3.33Å; P255-K258 PolarHBondContact O-N 2.9Å; P255-Q259 PolarHBondContact O-N 2.9Å
256I34.5Very low38.5Very low28 Ų28101.2 Ų101.214%0.14450%0.497CS..Hα-helixtrans-69.8-43.6178.4-69.7131000110.3W106 I253 K254 K258 Q259 Y260W106-I256 HydrophobicContact CE3-CG2 4.03Å; W106-I256 HydrophobicContact CH2-CB 3.86Å; W106-I256 HydrophobicContact CH2-CD1 3.23Å; W106-I256 HydrophobicContact CH2-CG1 3.87Å; W106-I256 HydrophobicContact CH2-CG2 3.79Å; W106-I256 HydrophobicContact CZ2-CD1 4.43Å; W106-I256 HydrophobicContact CZ3-CB 3.69Å; W106-I256 HydrophobicContact CZ3-CD1 3.47Å; W106-I256 VanDerWaalsContact CZ3-CD1 3.47Å; W106-I256 HydrophobicContact CZ3-CG1 3.67Å; W106-I256 HydrophobicContact CZ3-CG2 3.17Å; I253-I256 PolarHBondContact O-N 3.21Å; I253-I256 VanDerWaalsContact O-N 3.16Å; K254-I256 VanDerWaalsContact C-N 3.26Å; K254-I256 PolarHBondContact O-N 3.27Å; I256-K258 VanDerWaalsContact C-N 3.25Å; I256-K258 PolarHBondContact O-N 3.38Å; I256-Q259 PolarHBondContact O-N 3.25Å; I256-Y260 HydrophobicContact CG2-CD2 4.14Å; I256-Y260 HydrophobicContact CG2-CE2 4.38Å; I256-Y260 PolarHBondContact O-N 3.45Å
257N33.7Very low37.9Very low94 Ų9497 Ų9750%0.50350%0.504SS..Hα-helixtrans-64.1-28.7174-81.4-30.7000113I253 K254 K261I253-N257 PolarHBondContact O-N 3.34Å; K254-N257 PolarHBondContact O-N 2.91Å; N257-K261 WeakPolarHBondContact O-CB 3.45Å; N257-K261 WeakPolarHBondContact O-CG 3.42Å; N257-K261 PolarHBondContact O-N 2.61Å; N257-K261 VanDerWaalsContact O-N 3.08Å
258K37.2Very low37.5Very low155 Ų15596.3 Ų96.367%0.67451%0.511SS*.Hα-helixtrans-74-37173-91.2-175.8176.2178.90112.7K254 P255 I256 K261 K262K254-K258 PolarHBondContact O-N 2.78Å; P255-K258 PolarHBondContact O-N 2.9Å; I256-K258 VanDerWaalsContact C-N 3.25Å; I256-K258 PolarHBondContact O-N 3.38Å; K258-K261 PolarHBondContact O-N 3.39Å; K258-K262 PolarHBondContact O-N 3.47Å
259Q35.2Very low37.2Very low134 Ų134104 Ų10463%0.62654%0.543SS*.Hα-helixtrans-65-43.7173.2-79.5-179.8-13.900111P255 I256 K261 K262 T263P255-Q259 PolarHBondContact O-N 2.9Å; I256-Q259 PolarHBondContact O-N 3.25Å; Q259-K261 PolarHBondContact O-N 3.42Å; Q259-K262 PolarHBondContact O-N 2.88Å; Q259-T263 PolarHBondContact O-N 2.8Å; Q259-T263 PolarHBondContact O-OG1 3.21Å; Q259-T263 VanDerWaalsContact O-OG1 3.12Å
260Y35.8Very low36.8Very low152 Ų152113.2 Ų113.260%0.59658%0.575SS**Hα-helixtrans-63-35.7174.5-96.4-89.7000114I256 T263 N264I256-Y260 HydrophobicContact CG2-CD2 4.14Å; I256-Y260 HydrophobicContact CG2-CE2 4.38Å; I256-Y260 PolarHBondContact O-N 3.45Å; Y260-T263 PolarHBondContact O-OG1 3.37Å; Y260-T263 VanDerWaalsContact O-OG1 3.1Å; Y260-N264 PolarHBondContact O-N 3.24Å
261K37.9Very low36.6Very low152 Ų152114.9 Ų114.966%0.66159%0.593SS**Hα-helixtrans-73.7-31.4175.3-79.5-174.6176.9-173.20113.2N257 K258 Q259 H265N257-K261 WeakPolarHBondContact O-CB 3.45Å; N257-K261 WeakPolarHBondContact O-CG 3.42Å; N257-K261 PolarHBondContact O-N 2.61Å; N257-K261 VanDerWaalsContact O-N 3.08Å; K258-K261 PolarHBondContact O-N 3.39Å; Q259-K261 PolarHBondContact O-N 3.42Å; K261-H265 PolarHBondContact O-N 3.26Å
262K38.3Very low36.2Very low173 Ų173123.8 Ų123.875%0.75264%0.635SS**Hα-helixtrans-76.7-31.2177.2-80.6-172.9173.5-173.40112.8K258 Q259K258-K262 PolarHBondContact O-N 3.47Å; Q259-K262 PolarHBondContact O-N 2.88Å
263T42Very low36.3Very low101 Ų101127.8 Ų127.862%0.6265%0.651SS**Hα-helixtrans-72.9-27.7173.749.50000113Q259 Y260Q259-T263 PolarHBondContact O-N 2.8Å; Q259-T263 PolarHBondContact O-OG1 3.21Å; Q259-T263 VanDerWaalsContact O-OG1 3.12Å; Y260-T263 PolarHBondContact O-OG1 3.37Å; Y260-T263 VanDerWaalsContact O-OG1 3.1Å
264N42.1Very low36.3Very low113 Ų113132.8 Ų132.860%0.60468%0.677SS**THydrogen-bonded Turntrans-92.1-0.8179.4-73.7-11000115.4Y260Y260-N264 PolarHBondContact O-N 3.24Å
265H41.9Very low36.3Very low161 Ų161133.7 Ų133.775%0.74569%0.686SS**SBendtrans-119.88179-71.7-2.4000113.8K261 G267K261-H265 PolarHBondContact O-N 3.26Å; H265-G267 PolarHBondContact O-N 3.12Å; H265-G267 VanDerWaalsContact O-N 3.16Å
266G35Very low36.2Very low62 Ų62137.8 Ų137.864%0.63970%0.702SS**SBendtrans-79.987.3167.600000110.6V268G266-V268 PolarHBondContact O-N 3.31Å
267G30.5Very low36.3Very low73 Ų73144.7 Ų144.775%0.75374%0.737SS**  trans-54.6122.1-178.300000113.9H265 K269H265-G267 PolarHBondContact O-N 3.12Å; H265-G267 VanDerWaalsContact O-N 3.16Å; G267-K269 PolarHBondContact O-N 3.49Å
268V33.3Very low36.5Very low120 Ų120148.1 Ų148.173%0.72775%0.753SS**  trans-71103.2153.8179.30000106.4G266 R270G266-V268 PolarHBondContact O-N 3.31Å; V268-R270 PolarHBondContact O-N 2.79Å; V268-R270 VanDerWaalsContact O-N 3.1Å
269K35.2Very low36.4Very low199 Ų199147.6 Ų147.687%0.86576%0.759SS**  trans-55.7112.6159.8-82.1-177.4174.4-179.70107.1G267 S271G267-K269 PolarHBondContact O-N 3.49Å; K269-S271 PolarHBondContact O-N 2.87Å; K269-S271 VanDerWaalsContact O-N 3.14Å
270R32Very low36.5Very low245 Ų245148.6 Ų148.693%0.92577%0.769SS**  trans-66.6104.4161.2-74-178.8176.2174-1.7107.3V268V268-R270 PolarHBondContact O-N 2.79Å; V268-R270 VanDerWaalsContact O-N 3.1Å
271S37Very low36.6Very low112 Ų112148.3 Ų148.378%0.78378%0.783SS**  trans-86.5119.8154.9540000107.3K269K269-S271 PolarHBondContact O-N 2.87Å; K269-S271 VanDerWaalsContact O-N 3.14Å
272M34.2Very low36.5Very low269 Ų269148 Ų148100%1.32579%0.794SS**  trans17.10171.3-65.9-174.9-169.900118.2

Retrieved 272 of 272 residues in 506.9 ms (Link to these results)

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