A0A061AKU6_CAEEL Loading...

Enoyl-CoA Hydratase

AlphaFold DB , UniProt , Accession A0A061AKU6, Species CAEEL (Caenorhabditis elegans), Gene ech-9, Length 422 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
1M48.4Very low72.1Confident215 Ų21577.3 Ų77.3100%1.05942%0.421SS*.  0-48.20-76.9-174.2-74.900110.5A3 H4 S5M1-A3 PolarHBondContact O-N 2.58Å; M1-H4 PolarHBondContact O-N 3.2Å; M1-S5 PolarHBondContact O-N 2.91Å
2E60.3Low73.5Confident163 Ų16371.2 Ų71.276%0.76239%0.387SS*.Hα-helixtrans-55.8-49.3178.9-162.5168.6-15800113.8H4 S5 L6E2-H4 VanDerWaalsContact C-N 3.34Å; E2-H4 PolarHBondContact O-N 3.03Å; E2-S5 WeakPolarHBondContact O-CA 3.47Å; E2-S5 VanDerWaalsContact O-CB 3.28Å; E2-S5 WeakPolarHBondContact O-CB 3.05Å; E2-S5 PolarHBondContact O-N 3.28Å; E2-L6 WeakPolarHBondContact O-CG 3.26Å; E2-L6 PolarHBondContact O-N 2.8Å
3A59.9Low74.4Confident27 Ų2768.9 Ų68.922%0.22338%0.378CS..Hα-helixtrans-63.4-36.4-179.600000113.2M1 S5 L6 A7 I360M1-A3 PolarHBondContact O-N 2.58Å; A3-S5 VanDerWaalsContact C-N 3.31Å; A3-S5 PolarHBondContact O-N 3.41Å; A3-L6 WeakPolarHBondContact O-CB 3.32Å; A3-L6 PolarHBondContact O-N 3.07Å; A3-A7 PolarHBondContact O-N 3.38Å; A3-I360 HydrophobicContact CB-CD1 3.26Å; A3-I360 HydrophobicContact CB-CG1 3.38Å; A3-I360 WeakPolarHBondContact O-CD1 3.41Å
4H63.9Low75Confident103 Ų10375.1 Ų75.148%0.47741%0.411SS..Hα-helixtrans-63.9-38.8174.2175.8-61.4000111.3M1 E2 L6 A7 G8 L198M1-H4 PolarHBondContact O-N 3.2Å; E2-H4 VanDerWaalsContact C-N 3.34Å; E2-H4 PolarHBondContact O-N 3.03Å; H4-L6 VanDerWaalsContact C-N 3.29Å; H4-A7 PolarHBondContact O-N 2.91Å; H4-G8 PolarHBondContact O-N 3.31Å; H4-L198 WeakPolarHBondContact CD2-CD2 3.14Å; H4-L198 WeakPolarHBondContact NE2-CD2 3.4Å
5S69.7Low75.6Confident64 Ų6480.5 Ų80.545%0.44844%0.439SS..Hα-helixtrans-62.8-39.9174-168.50000111M1 E2 A3 G8 Q9M1-S5 PolarHBondContact O-N 2.91Å; E2-S5 WeakPolarHBondContact O-CA 3.47Å; E2-S5 VanDerWaalsContact O-CB 3.28Å; E2-S5 WeakPolarHBondContact O-CB 3.05Å; E2-S5 PolarHBondContact O-N 3.28Å; A3-S5 VanDerWaalsContact C-N 3.31Å; A3-S5 PolarHBondContact O-N 3.41Å; S5-G8 PolarHBondContact O-N 2.75Å; S5-Q9 WeakPolarHBondContact O-CG 3.48Å; S5-Q9 PolarHBondContact O-N 2.66Å
6L74.4Confident76.6Confident57 Ų5780.1 Ų80.130%0.29843%0.429SS..Hα-helixtrans-66.7-35.2177.3-66.7173.3000112.7E2 A3 H4 G8 Q9E2-L6 WeakPolarHBondContact O-CG 3.26Å; E2-L6 PolarHBondContact O-N 2.8Å; A3-L6 WeakPolarHBondContact O-CB 3.32Å; A3-L6 PolarHBondContact O-N 3.07Å; H4-L6 VanDerWaalsContact C-N 3.29Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 3Å; L6-Q9 PolarHBondContact O-N 3.42Å; L6-Q9 VanDerWaalsContact O-N 3.08Å
7A76.6Confident77.5Confident10 Ų1075.9 Ų75.98%0.08341%0.409CS..Hα-helixtrans-61.7-37.3175.800000112.5A3 H4 Q9 F189 V200 L357 I360A3-A7 PolarHBondContact O-N 3.38Å; H4-A7 PolarHBondContact O-N 2.91Å; A7-Q9 VanDerWaalsContact C-N 3.28Å; A7-Q9 PolarHBondContact O-N 3.35Å; A7-F189 VanDerWaalsContact O-CE1 3.32Å; A7-F189 WeakPolarHBondContact O-CE1 3.41Å; A7-V200 HydrophobicContact CB-CG2 4.28Å; A7-L357 VanDerWaalsContact CA-CD2 3.48Å; A7-L357 HydrophobicContact CB-CD2 3.76Å; A7-I360 HydrophobicContact CB-CD1 4.39Å
8G77.3Confident78.3Confident26 Ų2673.4 Ų73.427%0.26840%0.396SS..Hα-helixtrans-72.2-17.5174.100000114.3H4 S5 L6 W10 H19H4-G8 PolarHBondContact O-N 3.31Å; S5-G8 PolarHBondContact O-N 2.75Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 3Å; G8-W10 PolarHBondContact O-N 2.85Å; G8-H19 WeakPolarHBondContact O-CB 3.49Å
9Q85.2Confident79Confident98 Ų9873.9 Ų73.946%0.45840%0.395SS..SBendtrans-9149.3177.8-66.2171.19.500111.2S5 L6 A7S5-Q9 WeakPolarHBondContact O-CG 3.48Å; S5-Q9 PolarHBondContact O-N 2.66Å; L6-Q9 PolarHBondContact O-N 3.42Å; L6-Q9 VanDerWaalsContact O-N 3.08Å; A7-Q9 VanDerWaalsContact C-N 3.28Å; A7-Q9 PolarHBondContact O-N 3.35Å
10W88.4Confident79.7Confident18 Ų1875.5 Ų75.57%0.06841%0.408CS..  trans-70.6153-176.962.3-96.2000111.5G8 L12 D18 H19 S22 S182 I185 A186 F189 L201G8-W10 PolarHBondContact O-N 2.85Å; W10-L12 HydrophobicContact CZ3-CG 4.41Å; W10-D18 WeakPolarHBondContact O-CB 3.28Å; W10-H19 HydrophobicContact CD2-CB 4.21Å; W10-H19 HydrophobicContact CG-CB 4.26Å; W10-H19 HydrophobicContact CZ2-CB 4.34Å; W10-H19 PolarHBondContact O-N 3.38Å; W10-H19 PolarHBondContact O-ND1 2.94Å; W10-S22 WeakPolarHBondContact CH2-OG 3.43Å; W10-S182 WeakPolarHBondContact CH2-O 3.41Å; W10-I185 HydrophobicContact CD2-CG2 3.69Å; W10-I185 HydrophobicContact CE3-CB 4.43Å; W10-I185 HydrophobicContact CE3-CG2 3.61Å; W10-I185 HydrophobicContact CG-CG2 4.39Å; W10-I185 HydrophobicContact CH2-CB 4.03Å; W10-I185 HydrophobicContact CH2-CG2 3.91Å; W10-I185 HydrophobicContact CZ2-CB 4.43Å; W10-I185 HydrophobicContact CZ2-CG2 4.01Å; W10-I185 HydrophobicContact CZ3-CB 4.04Å; W10-I185 HydrophobicContact CZ3-CG2 3.72Å; W10-A186 HydrophobicContact CH2-CB 4.22Å; W10-A186 HydrophobicContact CZ2-CB 3.7Å; W10-F189 HydrophobicContact CB-CE1 4.29Å; W10-F189 HydrophobicContact CB-CE2 4.4Å; W10-F189 HydrophobicContact CB-CZ 3.91Å; W10-F189 AromaticContact CD1-CD1 3.58Å; W10-F189 AromaticContact CD1-CE1 3.57Å; W10-F189 AromaticContact CD1-CG 3.84Å; W10-F189 AromaticContact CD1-CZ 3.8Å; W10-F189 HydrophobicContact CG-CD1 4.48Å; W10-F189 HydrophobicContact CG-CD2 4.48Å; W10-F189 HydrophobicContact CG-CE1 4.15Å; W10-F189 HydrophobicContact CG-CE2 4.13Å; W10-F189 AromaticContact CG-CZ 3.95Å; W10-F189 HydrophobicContact CG-CZ 3.95Å; W10-F189 AromaticContact NE1-CG 3.9Å; W10-L201 HydrophobicContact CB-CB 3.91Å; W10-L201 HydrophobicContact CB-CD2 3.86Å; W10-L201 HydrophobicContact CE3-CD2 4.02Å
11S88.7Confident80.3Confident69 Ų6976.3 Ų76.348%0.48341%0.412SS..BIsolated β-bridgetrans-144.4133.3175.4-178.40000109L201S11-L201 WeakPolarHBondContact O-CD2 3.44Å
12L89Confident82.6Confident4 Ų467 Ų672%0.02137%0.368CS..  trans-76.3157.9167.6-72.8169.2000110.4W10 R16 G17 Y176 I185 L201W10-L12 HydrophobicContact CZ3-CG 4.41Å; L12-R16 HydrophobicContact CB-CB 3.71Å; L12-R16 HydrophobicContact CD1-CB 4.12Å; L12-G17 WeakPolarHBondContact CB-O 3.35Å; L12-G17 PolarHBondContact N-O 3.01Å; L12-Y176 VanDerWaalsContact CD2-CB 3.48Å; L12-Y176 HydrophobicContact CD2-CD1 3.7Å; L12-Y176 HydrophobicContact CD2-CD2 4.01Å; L12-Y176 HydrophobicContact CD2-CE1 4.4Å; L12-Y176 HydrophobicContact CD2-CG 3.46Å; L12-Y176 VanDerWaalsContact CD2-CG 3.46Å; L12-I185 HydrophobicContact CD1-CG1 4.09Å; L12-I185 HydrophobicContact CD2-CG1 4.08Å; L12-I185 HydrophobicContact CG-CG1 4.3Å; L12-L201 HydrophobicContact CD2-CD2 4.25Å
13P85.7Confident84.2Confident42 Ų4265.7 Ų65.727%0.27336%0.362SS..SBendtrans-65.3160.1175.1-20.933000112.9D15 R16 Y176P13-D15 VanDerWaalsContact C-N 3.34Å; P13-D15 PolarHBondContact O-N 3.17Å; P13-R16 WeakPolarHBondContact O-CB 3.38Å; P13-R16 VanDerWaalsContact O-CD 3.28Å; P13-R16 WeakPolarHBondContact O-CD 3.24Å; P13-R16 VanDerWaalsContact O-CG 3.24Å; P13-R16 WeakPolarHBondContact O-CG 3.39Å; P13-R16 PolarHBondContact O-N 3.05Å; P13-Y176 HydrophobicContact CG-CE2 3.62Å; P13-Y176 WeakPolarHBondContact CG-OH 3.46Å
14N82.1Confident86Confident156 Ų15665.7 Ų65.783%0.83436%0.362SS*.THydrogen-bonded Turntrans53.841.7165.6-52.8-27.4000114.8R16N14-R16 PolarHBondContact O-N 3.38Å
15D84.8Confident87.6Confident155 Ų15564.5 Ų64.583%0.82935%0.354SS*.THydrogen-bonded Turntrans61.825.4176.5-157.437.7000114.5P13 G17P13-D15 VanDerWaalsContact C-N 3.34Å; P13-D15 PolarHBondContact O-N 3.17Å; D15-G17 PolarHBondContact O-N 3.32Å
16R90.5Very high88.9Confident74 Ų7466.8 Ų66.828%0.27936%0.361SS..SBendtrans-74.43.4176.7-72.1167.955.5-165.9-0.1114L12 P13 N14 G177 S178 T180 S182L12-R16 HydrophobicContact CB-CB 3.71Å; L12-R16 HydrophobicContact CD1-CB 4.12Å; P13-R16 WeakPolarHBondContact O-CB 3.38Å; P13-R16 VanDerWaalsContact O-CD 3.28Å; P13-R16 WeakPolarHBondContact O-CD 3.24Å; P13-R16 VanDerWaalsContact O-CG 3.24Å; P13-R16 WeakPolarHBondContact O-CG 3.39Å; P13-R16 PolarHBondContact O-N 3.05Å; N14-R16 PolarHBondContact O-N 3.38Å; R16-G177 PolarHBondContact NH1-O 3.08Å; R16-G177 PolarHBondContact NH2-O 3.3Å; R16-S178 PolarHBondContact NH2-O 3.01Å; R16-T180 PolarHBondContact NH2-O 2.72Å; R16-S182 WeakPolarHBondContact O-CB 3.2Å
17G91.7Very high90.1Very high9 Ų964.9 Ų64.99%0.09335%0.352CS..  trans107.2160.8-177.400000114.4L12 D15 N21L12-G17 WeakPolarHBondContact CB-O 3.35Å; L12-G17 PolarHBondContact N-O 3.01Å; D15-G17 PolarHBondContact O-N 3.32Å; G17-N21 VanDerWaalsContact CA-OD1 3.32Å; G17-N21 WeakPolarHBondContact CA-OD1 3.24Å
18D93.1Very high91.1Very high32 Ų3269.8 Ų69.817%0.17138%0.377CS..BIsolated β-bridgetrans-147.9177.2-176.76664.4000110.9W10 T20 N21 S22W10-D18 WeakPolarHBondContact O-CB 3.28Å; D18-T20 PolarHBondContact O-N 2.72Å; D18-T20 WeakPolarHBondContact OD1-CA 3.49Å; D18-T20 VanDerWaalsContact OD1-CB 3.26Å; D18-T20 WeakPolarHBondContact OD1-CB 3.43Å; D18-T20 PolarHBondContact OD1-N 3.46Å; D18-T20 PolarHBondContact OD1-OG1 3.01Å; D18-N21 PolarHBondContact N-OD1 3.33Å; D18-N21 PolarHBondContact O-N 2.89Å; D18-N21 PolarHBondContact O-OD1 3.46Å; D18-N21 VanDerWaalsContact O-OD1 3.07Å; D18-N21 PolarHBondContact OD2-ND2 3.36Å; D18-S22 VanDerWaalsContact O-CB 3.24Å; D18-S22 WeakPolarHBondContact O-CB 3.38Å; D18-S22 PolarHBondContact O-N 3.4Å; D18-S22 PolarHBondContact O-OG 3.44Å
19H90.8Very high92.1Very high83 Ų8369 Ų6938%0.38437%0.367SS..THydrogen-bonded Turntrans-57.2-18.6-177.973.3-71000115.6G8 W10G8-H19 WeakPolarHBondContact O-CB 3.49Å; W10-H19 HydrophobicContact CD2-CB 4.21Å; W10-H19 HydrophobicContact CG-CB 4.26Å; W10-H19 HydrophobicContact CZ2-CB 4.34Å; W10-H19 PolarHBondContact O-N 3.38Å; W10-H19 PolarHBondContact O-ND1 2.94Å
20T92.3Very high92.8Very high105 Ų10564.3 Ų64.364%0.64435%0.345SS*.THydrogen-bonded Turntrans-88.3-23.2-178.971.20000113.8D18D18-T20 PolarHBondContact O-N 2.72Å; D18-T20 WeakPolarHBondContact OD1-CA 3.49Å; D18-T20 VanDerWaalsContact OD1-CB 3.26Å; D18-T20 WeakPolarHBondContact OD1-CB 3.43Å; D18-T20 PolarHBondContact OD1-N 3.46Å; D18-T20 PolarHBondContact OD1-OG1 3.01Å
21N94.3Very high93.3Very high92 Ų9263.4 Ų63.449%0.49234%0.342SS..THydrogen-bonded Turntrans-125.817.9-171.957.236000113.2G17 D18G17-N21 VanDerWaalsContact CA-OD1 3.32Å; G17-N21 WeakPolarHBondContact CA-OD1 3.24Å; D18-N21 PolarHBondContact N-OD1 3.33Å; D18-N21 PolarHBondContact O-N 2.89Å; D18-N21 PolarHBondContact O-OD1 3.46Å; D18-N21 VanDerWaalsContact O-OD1 3.07Å; D18-N21 PolarHBondContact OD2-ND2 3.36Å
22S95.8Very high93.7Very high20 Ų2060.1 Ų60.114%0.1432%0.319CS..  trans-120.9123-176.8-55.50000111.8W10 D18 S182W10-S22 WeakPolarHBondContact CH2-OG 3.43Å; D18-S22 VanDerWaalsContact O-CB 3.24Å; D18-S22 WeakPolarHBondContact O-CB 3.38Å; D18-S22 PolarHBondContact O-N 3.4Å; D18-S22 PolarHBondContact O-OG 3.44Å; S22-S182 WeakPolarHBondContact CB-OG 3.18Å; S22-S182 WeakPolarHBondContact OG-CB 3.37Å; S22-S182 PolarHBondContact OG-OG 3.25Å
23E94.8Very high94.2Very high135 Ų13560.2 Ų60.263%0.63132%0.319SS*.PPolyproline II helixtrans-79130176.3-173.2178.1-177.500110.7Q183E23-Q183 WeakPolarHBondContact O-CA 3.4Å
24A97Very high94.7Very high28 Ų2858.8 Ų58.823%0.23131%0.311CS..PPolyproline II helixtrans-95.8131.4170.300000109.6A186 Q190A24-A186 HydrophobicContact CB-CB 3.87Å; A24-Q190 HydrophobicContact CB-CB 4.17Å
25Y97.6Very high95.2Very high78 Ų7852.4 Ų52.431%0.30628%0.283SS..PPolyproline II helixtrans-73147.1167.1-59.2-55.9000110.2V27 T132 Q183 T187 Q190Y25-V27 PolarHBondContact O-N 3.14Å; Y25-T132 HydrophobicContact CE1-CG2 4.37Å; Y25-Q183 HydrophobicContact CE2-CB 4.44Å; Y25-T187 PolarHBondContact N-OG1 2.85Å; Y25-Q190 PolarHBondContact O-NE2 3.15Å
26D97.7Very high95.6Very high111 Ų11146.7 Ų46.759%0.59426%0.26SS*.PPolyproline II helixtrans-67.7133.1170-74.4-32.3000110.2Q190D26-Q190 PolarHBondContact OD1-NE2 2.94Å
27V98.4Very high95.5Very high17 Ų1747.1 Ų47.110%0.10327%0.272CS..  trans-10792.2178.21800000108.8Y25 V30 D105 L106 T187 A191Y25-V27 PolarHBondContact O-N 3.14Å; V27-V30 HydrophobicContact CG1-CG2 3.43Å; V27-V30 VanDerWaalsContact CG1-CG2 3.43Å; V27-D105 HydrophobicContact CB-CB 4.32Å; V27-D105 HydrophobicContact CG1-CB 4.22Å; V27-D105 HydrophobicContact CG2-CB 4.26Å; V27-L106 HydrophobicContact CG1-CB 3.85Å; V27-L106 HydrophobicContact CG1-CD2 4.39Å; V27-L106 HydrophobicContact CG2-CB 4.39Å; V27-T187 HydrophobicContact CG2-CG2 3.49Å; V27-T187 VanDerWaalsContact CG2-CG2 3.49Å; V27-A191 HydrophobicContact CB-CB 4.27Å; V27-A191 HydrophobicContact CG1-CB 4.33Å; V27-A191 HydrophobicContact CG2-CB 4.05Å
28N98Very high95.5Very high114 Ų11448.4 Ų48.461%0.6128%0.275SS*.  trans-95.2-27.2-179.9-62101.4000112.4E52 D105N28-E52 PolarHBondContact O-N 2.79Å; N28-D105 WeakPolarHBondContact CA-OD2 3.28Å; N28-D105 PolarHBondContact N-OD2 3.3Å
29S98.6Very high95.7Very high8 Ų846.9 Ų46.96%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-135.9132.4178.6-164.20000111.8E52 D105 L106S29-E52 WeakPolarHBondContact CA-O 3.26Å; S29-E52 PolarHBondContact OG-OE2 3.19Å; S29-D105 PolarHBondContact N-OD2 3.07Å; S29-D105 PolarHBondContact O-N 3.2Å; S29-L106 PolarHBondContact O-N 2.74Å
30V98.8Very high95.9Very high0 Ų043.4 Ų43.40%025%0.251CS..EExtended strand (participates in β ladder)trans-123142.2-176.2176.60000110.3V27 I32 F46 I51 E52 T53 F54 L106V27-V30 HydrophobicContact CG1-CG2 3.43Å; V27-V30 VanDerWaalsContact CG1-CG2 3.43Å; V30-I32 HydrophobicContact CG1-CD1 3.85Å; V30-I32 HydrophobicContact CG1-CG1 4.41Å; V30-F46 HydrophobicContact CB-CD1 4.26Å; V30-F46 HydrophobicContact CB-CG 4.34Å; V30-F46 HydrophobicContact CG1-CD1 4.24Å; V30-F46 HydrophobicContact CG1-CD2 4.02Å; V30-F46 HydrophobicContact CG1-CE1 4.34Å; V30-F46 HydrophobicContact CG1-CE2 4.13Å; V30-F46 HydrophobicContact CG1-CG 4.1Å; V30-F46 HydrophobicContact CG1-CZ 4.29Å; V30-F46 HydrophobicContact CG2-CD1 3.71Å; V30-F46 HydrophobicContact CG2-CE1 3.86Å; V30-F46 HydrophobicContact CG2-CG 4.29Å; V30-I51 HydrophobicContact CB-CG2 4.32Å; V30-I51 HydrophobicContact CG2-CG2 3.72Å; V30-E52 PolarHBondContact N-O 3.27Å; V30-T53 CarbonylContact O-C 3.57Å; V30-T53 VanDerWaalsContact O-CA 3.27Å; V30-T53 WeakPolarHBondContact O-CA 3.46Å; V30-F54 PolarHBondContact O-N 3.44Å; V30-L106 CarbonylContact C-O 3.51Å; V30-L106 VanDerWaalsContact CA-O 3.24Å; V30-L106 WeakPolarHBondContact CA-O 3.32Å; V30-L106 HydrophobicContact CG2-CB 4.27Å; V30-L106 HydrophobicContact CG2-CD2 4.44Å
31A98.8Very high96.1Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-115137.5165.400000111.5F54 L101 L106 I107 V108A31-F54 CarbonylContact C-O 3.4Å; A31-F54 WeakPolarHBondContact CA-O 3.3Å; A31-F54 HydrophobicContact CB-CB 4.18Å; A31-L101 HydrophobicContact CB-CD1 4.14Å; A31-L101 HydrophobicContact CB-CD2 3.73Å; A31-L101 HydrophobicContact CB-CG 4.38Å; A31-L106 PolarHBondContact N-O 2.87Å; A31-I107 HydrophobicContact CB-CB 4.41Å; A31-I107 HydrophobicContact CB-CD1 4.34Å; A31-I107 HydrophobicContact CB-CG1 3.91Å; A31-I107 HydrophobicContact CB-CG2 4.19Å; A31-I107 CarbonylContact O-C 3.52Å; A31-I107 VanDerWaalsContact O-CA 3.3Å; A31-I107 WeakPolarHBondContact O-CA 3.5Å; A31-V108 PolarHBondContact O-N 3.24Å
32I98.7Very high96.3Very high0 Ų034.2 Ų34.20%020%0.198CC..EExtended strand (participates in β ladder)trans-114.3122.1171.8-52.1-61.4000108.4V30 G39 M42 A43 F46 T53 F54 L55 V56 V108V30-I32 HydrophobicContact CG1-CD1 3.85Å; V30-I32 HydrophobicContact CG1-CG1 4.41Å; I32-G39 WeakPolarHBondContact CG2-O 3.08Å; I32-M42 HydrophobicContact CD1-CB 4.06Å; I32-M42 HydrophobicContact CG1-CB 4.39Å; I32-M42 HydrophobicContact CG2-CB 4.41Å; I32-M42 HydrophobicContact CG2-CE 4.07Å; I32-A43 HydrophobicContact CB-CB 4.34Å; I32-A43 HydrophobicContact CG1-CB 4.03Å; I32-F46 HydrophobicContact CD1-CD2 4.07Å; I32-F46 HydrophobicContact CD1-CE2 4.07Å; I32-T53 HydrophobicContact CG1-CG2 4.2Å; I32-F54 PolarHBondContact N-O 3.33Å; I32-L55 HydrophobicContact CB-CD1 4.19Å; I32-L55 HydrophobicContact CG2-CD1 4.24Å; I32-V56 PolarHBondContact O-N 3.06Å; I32-V108 CarbonylContact C-O 3.57Å; I32-V108 WeakPolarHBondContact CA-O 3.26Å; I32-V108 HydrophobicContact CD1-CB 3.71Å; I32-V108 HydrophobicContact CD1-CG2 3.99Å
33I98.4Very high96.4Very high6 Ų633.2 Ų33.23%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-103.9114.3-176.8-52.9172.3000109.5V56 F98 I107 V108 S110 V111 L121 L125I33-V56 HydrophobicContact CG1-CB 4.26Å; I33-V56 HydrophobicContact CG1-CG2 4.46Å; I33-V56 HydrophobicContact CG2-CB 4.48Å; I33-F98 HydrophobicContact CD1-CE1 4.01Å; I33-F98 HydrophobicContact CG2-CZ 4.36Å; I33-I107 HydrophobicContact CD1-CG2 3.43Å; I33-I107 VanDerWaalsContact CD1-CG2 3.43Å; I33-I107 HydrophobicContact CG1-CG2 3.9Å; I33-V108 PolarHBondContact N-O 3.33Å; I33-S110 CarbonylContact O-C 3.58Å; I33-S110 VanDerWaalsContact O-C 3.31Å; I33-S110 WeakPolarHBondContact O-CA 3.36Å; I33-S110 PolarHBondContact O-N 2.9Å; I33-V111 HydrophobicContact CG2-CG1 3.94Å; I33-V111 PolarHBondContact O-N 2.9Å; I33-L121 HydrophobicContact CB-CD2 4.48Å; I33-L121 HydrophobicContact CD1-CD1 4.18Å; I33-L121 HydrophobicContact CD1-CD2 4.24Å; I33-L121 HydrophobicContact CD1-CG 4.43Å; I33-L121 HydrophobicContact CG2-CD1 4.31Å; I33-L121 HydrophobicContact CG2-CD2 3.95Å; I33-L125 HydrophobicContact CD1-CD1 3.47Å; I33-L125 VanDerWaalsContact CD1-CD1 3.47Å; I33-L125 HydrophobicContact CD1-CD2 3.99Å; I33-L125 HydrophobicContact CD1-CG 4.28Å
34G96.6Very high96.5Very high11 Ų1126.8 Ų26.811%0.11316%0.162CC..  trans120.2114.7179.700000112.4G36 G39 V56G34-G36 PolarHBondContact O-N 2.97Å; G34-G36 VanDerWaalsContact O-N 3.1Å; G34-G39 WeakPolarHBondContact O-CA 3.45Å; G34-V56 PolarHBondContact N-O 3.36Å
35G93.1Very high96.5Very high22 Ų2226 Ų2623%0.22715%0.154CC..  trans-80.721.9-179.300000114.8K40 V57G35-K40 PolarHBondContact O-NZ 3.5Å; G35-V57 VanDerWaalsContact CA-CG1 3.45Å
36G91.8Very high96.6Very high35 Ų3522.4 Ų22.436%0.36114%0.14SC..SBendtrans-72.2-172.4179.100000113.1G34 K40G34-G36 PolarHBondContact O-N 2.97Å; G34-G36 VanDerWaalsContact O-N 3.1Å; G36-K40 WeakPolarHBondContact O-CB 3.4Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 3.12Å; G36-K40 VanDerWaalsContact O-N 3.1Å; G36-K40 PolarHBondContact O-NZ 3.49Å
37T89.9Confident96.6Very high84 Ų8417.1 Ų17.152%0.51511%0.112SC..Hα-helixtrans-60.9-47.3176.3-55.50000111.8A41 M70T37-A41 WeakPolarHBondContact O-CB 3.39Å; T37-A41 PolarHBondContact O-N 2.62Å; T37-A41 VanDerWaalsContact O-N 3.1Å; T37-M70 HydrophobicContact CG2-CE 4.14Å
38M91.9Very high96.5Very high35 Ų3517.9 Ų17.917%0.17212%0.115CC..Hα-helixtrans-67.2-50.8179.6-73.4-59.19700112.3K40 A41 M42 N164M38-K40 VanDerWaalsContact C-N 3.34Å; M38-K40 PolarHBondContact O-N 2.94Å; M38-A41 PolarHBondContact O-N 3.38Å; M38-M42 WeakPolarHBondContact O-CG 3.42Å; M38-M42 PolarHBondContact O-N 2.9Å; M38-N164 HydrophobicContact CE-CB 3.31Å; M38-N164 WeakPolarHBondContact CE-OD1 3.47Å; M38-N164 HydrophobicContact SD-CB 4.09Å
39G95.8Very high96.5Very high0 Ų014.3 Ų14.30%010%0.101CC..Hα-helixtrans-58.1-42.3178.900000113.7I32 G34 A41 A43 S110I32-G39 WeakPolarHBondContact CG2-O 3.08Å; G34-G39 WeakPolarHBondContact O-CA 3.45Å; G39-A41 PolarHBondContact O-N 3.45Å; G39-A43 WeakPolarHBondContact O-CB 3.49Å; G39-A43 PolarHBondContact O-N 3.31Å; G39-S110 PolarHBondContact N-OG 2.82Å
40K96.8Very high96.5Very high10 Ų1015.5 Ų15.54%0.04312%0.115CC..Hα-helixtrans-60.7-43.7171.9-74.4-170.2-68.5-86.80112.1G35 G36 M38 A43 I44 L55 E66 L67 M70G35-K40 PolarHBondContact O-NZ 3.5Å; G36-K40 WeakPolarHBondContact O-CB 3.4Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 3.12Å; G36-K40 VanDerWaalsContact O-N 3.1Å; G36-K40 PolarHBondContact O-NZ 3.49Å; M38-K40 VanDerWaalsContact C-N 3.34Å; M38-K40 PolarHBondContact O-N 2.94Å; K40-A43 PolarHBondContact O-N 3.25Å; K40-I44 VanDerWaalsContact O-CG1 3.27Å; K40-I44 WeakPolarHBondContact O-CG1 3.34Å; K40-I44 PolarHBondContact O-N 3.38Å; K40-L55 HydrophobicContact CG-CD2 4.09Å; K40-E66 HydrophobicContact CD-CB 4.31Å; K40-E66 IonicContact NZ-OE2 2.81Å; K40-E66 PolarHBondContact NZ-OE2 3.27Å; K40-L67 HydrophobicContact CB-CD1 4.21Å; K40-L67 HydrophobicContact CD-CB 4.43Å; K40-L67 HydrophobicContact CD-CD1 4.12Å; K40-L67 HydrophobicContact CG-CD1 4.27Å; K40-M70 HydrophobicContact CB-CE 3.88Å; K40-M70 HydrophobicContact CB-SD 3.87Å; K40-M70 HydrophobicContact CD-CE 4.39Å
41A95.6Very high96.4Very high4 Ų416.5 Ų16.53%0.03312%0.12CC..Hα-helixtrans-69.9-36.8-177.900000113.1T37 M38 G39 I44 C45 A166T37-A41 WeakPolarHBondContact O-CB 3.39Å; T37-A41 PolarHBondContact O-N 2.62Å; T37-A41 VanDerWaalsContact O-N 3.1Å; M38-A41 PolarHBondContact O-N 3.38Å; G39-A41 PolarHBondContact O-N 3.45Å; A41-I44 PolarHBondContact O-N 2.89Å; A41-C45 PolarHBondContact O-N 3.42Å; A41-C45 VanDerWaalsContact O-N 3.11Å; A41-C45 PolarHBondContact O-SG 3.45Å; A41-A166 HydrophobicContact CB-CB 3.79Å
42M97.5Very high96.4Very high0 Ų019.9 Ų19.90%014%0.136CC..Hα-helixtrans-65.1-45.8171.8-69.8-170.1-70.900111.1I32 M38 I44 C45 F46 V108 S110 N138 F162I32-M42 HydrophobicContact CD1-CB 4.06Å; I32-M42 HydrophobicContact CG1-CB 4.39Å; I32-M42 HydrophobicContact CG2-CB 4.41Å; I32-M42 HydrophobicContact CG2-CE 4.07Å; M38-M42 WeakPolarHBondContact O-CG 3.42Å; M38-M42 PolarHBondContact O-N 2.9Å; M42-I44 VanDerWaalsContact C-N 3.27Å; M42-I44 PolarHBondContact O-N 3.16Å; M42-C45 WeakPolarHBondContact O-CA 3.21Å; M42-C45 WeakPolarHBondContact O-CB 3.24Å; M42-C45 PolarHBondContact O-N 2.94Å; M42-F46 VanDerWaalsContact O-CD2 3.31Å; M42-F46 WeakPolarHBondContact O-CD2 3.39Å; M42-F46 PolarHBondContact O-N 3.4Å; M42-F46 VanDerWaalsContact O-N 3.08Å; M42-V108 HydrophobicContact CE-CG1 4.08Å; M42-V108 HydrophobicContact SD-CG1 3.94Å; M42-S110 VanDerWaalsContact CE-CB 3.45Å; M42-N138 HydrophobicContact CE-CB 3.94Å; M42-N138 HydrophobicContact SD-CB 4.31Å; M42-F162 HydrophobicContact CG-CB 4.18Å; M42-F162 HydrophobicContact CG-CD1 3.86Å; M42-F162 HydrophobicContact CG-CD2 3.79Å; M42-F162 HydrophobicContact CG-CE1 4.1Å; M42-F162 HydrophobicContact CG-CE2 4.02Å; M42-F162 HydrophobicContact CG-CG 3.69Å; M42-F162 HydrophobicContact CG-CZ 4.18Å; M42-F162 HydrophobicContact SD-CB 4.22Å; M42-F162 HydrophobicContact SD-CD1 4.49Å; M42-F162 HydrophobicContact SD-CD2 3.31Å; M42-F162 WeakPolarHBondContact SD-CD2 3.39Å; M42-F162 HydrophobicContact SD-CE2 3.64Å; M42-F162 HydrophobicContact SD-CG 3.79Å; M42-F162 HydrophobicContact SD-CZ 4.36Å
43A98Very high96.4Very high0 Ų019.9 Ų19.90%014%0.136CC..Hα-helixtrans-60.8-37.4178.100000112.3I32 G39 K40 G47 T53 L55 L92I32-A43 HydrophobicContact CB-CB 4.34Å; I32-A43 HydrophobicContact CG1-CB 4.03Å; G39-A43 WeakPolarHBondContact O-CB 3.49Å; G39-A43 PolarHBondContact O-N 3.31Å; K40-A43 PolarHBondContact O-N 3.25Å; A43-G47 PolarHBondContact O-N 2.82Å; A43-T53 HydrophobicContact CB-CG2 4.05Å; A43-L55 HydrophobicContact CB-CB 4.2Å; A43-L55 HydrophobicContact CB-CD1 4.19Å; A43-L55 HydrophobicContact CB-CD2 4.23Å; A43-L55 HydrophobicContact CB-CG 4.44Å; A43-L92 HydrophobicContact CB-CD1 3.84Å
44I97.4Very high96.5Very high0 Ų020.4 Ų20.40%014%0.138CC..Hα-helixtrans-60.6-43.5170.6-74169.1000111.4K40 A41 M42 L48 L67 M70 Y71 L80 I88 N167K40-I44 VanDerWaalsContact O-CG1 3.27Å; K40-I44 WeakPolarHBondContact O-CG1 3.34Å; K40-I44 PolarHBondContact O-N 3.38Å; A41-I44 PolarHBondContact O-N 2.89Å; M42-I44 VanDerWaalsContact C-N 3.27Å; M42-I44 PolarHBondContact O-N 3.16Å; I44-L48 WeakPolarHBondContact O-CB 3.32Å; I44-L48 PolarHBondContact O-N 3.07Å; I44-L67 HydrophobicContact CD1-CD1 3.87Å; I44-L67 HydrophobicContact CG1-CD1 4.13Å; I44-M70 HydrophobicContact CD1-CG 4.31Å; I44-M70 HydrophobicContact CD1-SD 3.71Å; I44-Y71 HydrophobicContact CD1-CD1 4.26Å; I44-Y71 HydrophobicContact CD1-CE1 3.81Å; I44-Y71 HydrophobicContact CG1-CE1 3.98Å; I44-L80 HydrophobicContact CG2-CD1 4.36Å; I44-I88 HydrophobicContact CG1-CG2 4.45Å; I44-I88 HydrophobicContact CG2-CD1 3.75Å; I44-I88 HydrophobicContact CG2-CG1 4.5Å; I44-N167 VanDerWaalsContact CG2-OD1 3.3Å; I44-N167 WeakPolarHBondContact CG2-OD1 3.46Å
45C97.6Very high96.6Very high11 Ų1119.9 Ų19.97%0.07413%0.133CC..Hα-helixtrans-62.2-47.9-179.6-68.90000112.1A41 M42 A49 I195A41-C45 PolarHBondContact O-N 3.42Å; A41-C45 VanDerWaalsContact O-N 3.11Å; A41-C45 PolarHBondContact O-SG 3.45Å; M42-C45 WeakPolarHBondContact O-CA 3.21Å; M42-C45 WeakPolarHBondContact O-CB 3.24Å; M42-C45 PolarHBondContact O-N 2.94Å; C45-A49 PolarHBondContact O-N 2.67Å; C45-I195 HydrophobicContact CB-CD1 4.15Å
46F98.4Very high96.8Very high2 Ų219.1 Ų19.11%0.00912%0.123CC..Hα-helixtrans-67-47.2177.9-73.6-78.4000112.1V30 I32 M42 L48 A49 G50 I51 T53 L106 F162 I195V30-F46 HydrophobicContact CB-CD1 4.26Å; V30-F46 HydrophobicContact CB-CG 4.34Å; V30-F46 HydrophobicContact CG1-CD1 4.24Å; V30-F46 HydrophobicContact CG1-CD2 4.02Å; V30-F46 HydrophobicContact CG1-CE1 4.34Å; V30-F46 HydrophobicContact CG1-CE2 4.13Å; V30-F46 HydrophobicContact CG1-CG 4.1Å; V30-F46 HydrophobicContact CG1-CZ 4.29Å; V30-F46 HydrophobicContact CG2-CD1 3.71Å; V30-F46 HydrophobicContact CG2-CE1 3.86Å; V30-F46 HydrophobicContact CG2-CG 4.29Å; I32-F46 HydrophobicContact CD1-CD2 4.07Å; I32-F46 HydrophobicContact CD1-CE2 4.07Å; M42-F46 VanDerWaalsContact O-CD2 3.31Å; M42-F46 WeakPolarHBondContact O-CD2 3.39Å; M42-F46 PolarHBondContact O-N 3.4Å; M42-F46 VanDerWaalsContact O-N 3.08Å; F46-L48 VanDerWaalsContact C-N 3.29Å; F46-L48 PolarHBondContact O-N 2.85Å; F46-A49 WeakPolarHBondContact O-CB 3.39Å; F46-A49 PolarHBondContact O-N 2.8Å; F46-A49 VanDerWaalsContact O-N 3.07Å; F46-G50 PolarHBondContact O-N 2.97Å; F46-I51 HydrophobicContact CD1-CD1 3.95Å; F46-I51 HydrophobicContact CD1-CG2 4.49Å; F46-I51 PolarHBondContact O-N 3.14Å; F46-T53 HydrophobicContact CB-CG2 4.13Å; F46-T53 WeakPolarHBondContact CB-OG1 3.38Å; F46-L106 HydrophobicContact CE1-CD2 4.41Å; F46-L106 HydrophobicContact CZ-CD2 4.14Å; F46-F162 HydrophobicContact CE2-CZ 4.21Å; F46-I195 HydrophobicContact CB-CG2 4.48Å; F46-I195 HydrophobicContact CD1-CD1 4.37Å; F46-I195 HydrophobicContact CD1-CG2 3.41Å; F46-I195 VanDerWaalsContact CD1-CG2 3.41Å; F46-I195 HydrophobicContact CD2-CD1 4.45Å; F46-I195 HydrophobicContact CE1-CD1 4Å; F46-I195 HydrophobicContact CE1-CG2 3.75Å; F46-I195 HydrophobicContact CE2-CD1 4.1Å; F46-I195 HydrophobicContact CG-CG2 4.04Å; F46-I195 HydrophobicContact CZ-CD1 3.86Å
47G97.9Very high97.1Very high0 Ų018 Ų180%011%0.11CC..Hα-helixtrans-60-38.2176.900000112.6A43 A49 G50 T53A43-G47 PolarHBondContact O-N 2.82Å; G47-A49 VanDerWaalsContact C-N 3.31Å; G47-A49 PolarHBondContact O-N 3.22Å; G47-G50 PolarHBondContact O-N 3.47Å; G47-T53 PolarHBondContact N-OG1 3.41Å
48L97.3Very high97.4Very high34 Ų3424.4 Ų24.418%0.17812%0.124CC..Hα-helixtrans-66.6-31.8176.6-178.564.1000112.9I44 F46 G50 R84 K87 I88I44-L48 WeakPolarHBondContact O-CB 3.32Å; I44-L48 PolarHBondContact O-N 3.07Å; F46-L48 VanDerWaalsContact C-N 3.29Å; F46-L48 PolarHBondContact O-N 2.85Å; L48-G50 PolarHBondContact O-N 3.41Å; L48-R84 HydrophobicContact CD1-CB 3.7Å; L48-R84 HydrophobicContact CD1-CG 3.86Å; L48-K87 WeakPolarHBondContact O-CD 3.23Å; L48-K87 WeakPolarHBondContact O-CE 3.48Å; L48-K87 PolarHBondContact O-NZ 3.1Å; L48-I88 HydrophobicContact CB-CD1 4.22Å; L48-I88 HydrophobicContact CB-CG1 3.74Å; L48-I88 HydrophobicContact CD1-CD1 4.26Å; L48-I88 HydrophobicContact CD1-CG1 4.12Å
49A97.4Very high97.6Very high38 Ų3827 Ų2731%0.31414%0.139SC..Hα-helixtrans-69.1-21.7173.900000111.7C45 F46 G47 I51 K87 I195C45-A49 PolarHBondContact O-N 2.67Å; F46-A49 WeakPolarHBondContact O-CB 3.39Å; F46-A49 PolarHBondContact O-N 2.8Å; F46-A49 VanDerWaalsContact O-N 3.07Å; G47-A49 VanDerWaalsContact C-N 3.31Å; G47-A49 PolarHBondContact O-N 3.22Å; A49-I51 HydrophobicContact CB-CD1 4.23Å; A49-I51 HydrophobicContact CB-CG1 4.37Å; A49-K87 VanDerWaalsContact C-NZ 3.32Å; A49-K87 PolarHBondContact O-NZ 3.41Å; A49-I195 HydrophobicContact CB-CB 4.21Å; A49-I195 HydrophobicContact CB-CG2 3.7Å
50G97.8Very high97.7Very high33 Ų3329.8 Ų29.834%0.3415%0.152SC..THydrogen-bonded Turntrans96.416.7-176.200000112.9F46 G47 L48 N91F46-G50 PolarHBondContact O-N 2.97Å; G47-G50 PolarHBondContact O-N 3.47Å; L48-G50 PolarHBondContact O-N 3.41Å; G50-N91 VanDerWaalsContact C-ND2 3.35Å; G50-N91 PolarHBondContact O-ND2 2.89Å; G50-N91 VanDerWaalsContact O-ND2 3.08Å
51I98.5Very high97.7Very high21 Ų2134.9 Ų34.911%0.10818%0.176CC..  trans-85.2133.1175.7-65168000107.8V30 F46 A49 T53 S194 I195V30-I51 HydrophobicContact CB-CG2 4.32Å; V30-I51 HydrophobicContact CG2-CG2 3.72Å; F46-I51 HydrophobicContact CD1-CD1 3.95Å; F46-I51 HydrophobicContact CD1-CG2 4.49Å; F46-I51 PolarHBondContact O-N 3.14Å; A49-I51 HydrophobicContact CB-CD1 4.23Å; A49-I51 HydrophobicContact CB-CG1 4.37Å; I51-T53 PolarHBondContact O-N 3.08Å; I51-T53 VanDerWaalsContact O-N 3.14Å; I51-T53 PolarHBondContact O-OG1 2.61Å; I51-S194 WeakPolarHBondContact CD1-OG 3.27Å; I51-I195 HydrophobicContact CD1-CG2 3.77Å
52E98.7Very high97.8Very high71 Ų7141.9 Ų41.933%0.33220%0.202SC..EExtended strand (participates in β ladder)trans-59.6121174.9-175.8-175.8-121.700109N28 S29 V30 F54 K93N28-E52 PolarHBondContact O-N 2.79Å; S29-E52 WeakPolarHBondContact CA-O 3.26Å; S29-E52 PolarHBondContact OG-OE2 3.19Å; V30-E52 PolarHBondContact N-O 3.27Å; E52-F54 HydrophobicContact CG-CE2 4.17Å; E52-K93 WeakPolarHBondContact OE1-CE 3.43Å; E52-K93 IonicContact OE1-NZ 2.69Å; E52-K93 PolarHBondContact OE1-NZ 3Å
53T98.8Very high97.8Very high0 Ų042.1 Ų42.10%020%0.203CC..EExtended strand (participates in β ladder)trans-127.3121-171.7-540000110.8V30 I32 A43 F46 G47 I51 N91 L92 K93V30-T53 CarbonylContact O-C 3.57Å; V30-T53 VanDerWaalsContact O-CA 3.27Å; V30-T53 WeakPolarHBondContact O-CA 3.46Å; I32-T53 HydrophobicContact CG1-CG2 4.2Å; A43-T53 HydrophobicContact CB-CG2 4.05Å; F46-T53 HydrophobicContact CB-CG2 4.13Å; F46-T53 WeakPolarHBondContact CB-OG1 3.38Å; G47-T53 PolarHBondContact N-OG1 3.41Å; I51-T53 PolarHBondContact O-N 3.08Å; I51-T53 VanDerWaalsContact O-N 3.14Å; I51-T53 PolarHBondContact O-OG1 2.61Å; T53-N91 PolarHBondContact N-O 3.4Å; T53-L92 HydrophobicContact CG2-CD1 4.02Å; T53-L92 CarbonylContact O-C 3.57Å; T53-L92 WeakPolarHBondContact O-CA 2.99Å; T53-K93 PolarHBondContact O-N 3.05Å
54F98.8Very high97.7Very high18 Ų1846.6 Ų46.68%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-91.7124.9169.8-63.9-89000109.9V30 A31 I32 E52 K93 T95 K100 L101V30-F54 PolarHBondContact O-N 3.44Å; A31-F54 CarbonylContact C-O 3.4Å; A31-F54 WeakPolarHBondContact CA-O 3.3Å; A31-F54 HydrophobicContact CB-CB 4.18Å; I32-F54 PolarHBondContact N-O 3.33Å; E52-F54 HydrophobicContact CG-CE2 4.17Å; F54-K93 CarbonylContact C-O 3.6Å; F54-K93 VanDerWaalsContact CA-O 3.31Å; F54-K93 WeakPolarHBondContact CA-O 3.32Å; F54-K93 HydrophobicContact CD1-CB 3.77Å; F54-K93 HydrophobicContact CD1-CD 4.12Å; F54-K93 HydrophobicContact CE1-CB 4.02Å; F54-K93 HydrophobicContact CE1-CD 3.5Å; F54-K93 VanDerWaalsContact CE1-CD 3.5Å; F54-K93 HydrophobicContact CE1-CG 4.39Å; F54-K93 HydrophobicContact CZ-CD 3.85Å; F54-T95 HydrophobicContact CD1-CG2 4.46Å; F54-K100 HydrophobicContact CD1-CB 4.41Å; F54-K100 HydrophobicContact CE1-CB 4.13Å; F54-L101 HydrophobicContact CB-CD2 3.75Å; F54-L101 HydrophobicContact CD1-CD2 4.48Å; F54-L101 HydrophobicContact CD2-CD2 4.36Å; F54-L101 HydrophobicContact CG-CD2 3.96Å
55L98.7Very high97.7Very high0 Ų052.2 Ų52.20%025%0.249CC..EExtended strand (participates in β ladder)trans-104.1103170.6176.557.8000109.1I32 K40 A43 V57 C63 L92 K93 I94 T95I32-L55 HydrophobicContact CB-CD1 4.19Å; I32-L55 HydrophobicContact CG2-CD1 4.24Å; K40-L55 HydrophobicContact CG-CD2 4.09Å; A43-L55 HydrophobicContact CB-CB 4.2Å; A43-L55 HydrophobicContact CB-CD1 4.19Å; A43-L55 HydrophobicContact CB-CD2 4.23Å; A43-L55 HydrophobicContact CB-CG 4.44Å; L55-V57 HydrophobicContact CD1-CG1 4.22Å; L55-V57 HydrophobicContact CG-CG1 3.93Å; L55-C63 VanDerWaalsContact CD2-SG 3.6Å; L55-L92 HydrophobicContact CB-CD1 3.86Å; L55-K93 PolarHBondContact N-O 3.06Å; L55-I94 HydrophobicContact CB-CG1 4.35Å; L55-I94 HydrophobicContact CD2-CG1 4.39Å; L55-I94 WeakPolarHBondContact O-CA 3.34Å; L55-T95 PolarHBondContact O-N 3.46Å
56V98.6Very high97.6Very high5 Ų554.7 Ų54.73%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-89.1119.3-173.8-173.20000110.1I32 I33 G34 T95 F98 L101I32-V56 PolarHBondContact O-N 3.06Å; I33-V56 HydrophobicContact CG1-CB 4.26Å; I33-V56 HydrophobicContact CG1-CG2 4.46Å; I33-V56 HydrophobicContact CG2-CB 4.48Å; G34-V56 PolarHBondContact N-O 3.36Å; V56-T95 CarbonylContact C-O 3.58Å; V56-T95 VanDerWaalsContact CA-O 3.24Å; V56-T95 WeakPolarHBondContact CA-O 3.49Å; V56-T95 HydrophobicContact CG2-CG2 4.26Å; V56-F98 HydrophobicContact CG1-CE1 4.38Å; V56-F98 HydrophobicContact CG1-CE2 4.09Å; V56-F98 HydrophobicContact CG1-CZ 4.02Å; V56-L101 HydrophobicContact CG2-CD1 3.84Å; V56-L101 HydrophobicContact CG2-CD2 3.82Å; V56-L101 HydrophobicContact CG2-CG 4.37Å
57V97.9Very high97.5Very high13 Ų1354.9 Ų54.98%0.07926%0.26CS..  trans-140158.2-171.9-59.70000112G35 L55 E60 C63 I94 T95 S96G35-V57 VanDerWaalsContact CA-CG1 3.45Å; L55-V57 HydrophobicContact CD1-CG1 4.22Å; L55-V57 HydrophobicContact CG-CG1 3.93Å; V57-E60 HydrophobicContact CG2-CG 4.2Å; V57-C63 HydrophobicContact CB-CB 4.28Å; V57-C63 HydrophobicContact CG1-CB 4.09Å; V57-C63 HydrophobicContact CG2-CB 3.81Å; V57-I94 HydrophobicContact CG2-CG2 3.79Å; V57-T95 PolarHBondContact N-O 3.42Å; V57-S96 WeakPolarHBondContact O-CA 3.4Å; V57-S96 WeakPolarHBondContact O-CB 3.36Å
58R95.3Very high97.4Very high218 Ų21860 Ų6082%0.82328%0.284SS*.SBendtrans-71.8-32.2176-63179.1-178.4174.9-1.1113.3
59N97.1Very high97.3Very high88 Ų8863.2 Ų63.247%0.47131%0.305SS..  trans-137.1104.7-179.1-175.2-42.1000109.8Q61 R62 C63N59-Q61 PolarHBondContact OD1-N 3.27Å; N59-R62 HydrophobicContact CB-CB 4.09Å; N59-R62 WeakPolarHBondContact OD1-CB 3.46Å; N59-R62 PolarHBondContact OD1-N 3.01Å; N59-C63 WeakPolarHBondContact O-CB 3.15Å; N59-C63 PolarHBondContact O-N 3.28Å; N59-C63 VanDerWaalsContact O-N 3.07Å
60E98.1Very high97.1Very high59 Ų5962.8 Ų62.828%0.27630%0.297SS..Hα-helixtrans-64.5-41.6-174.7-59.5-177.6-166.400112.4V57 C63 K64 I94 T95 S96V57-E60 HydrophobicContact CG2-CG 4.2Å; E60-C63 PolarHBondContact O-N 3.41Å; E60-K64 WeakPolarHBondContact O-CG 3.31Å; E60-K64 PolarHBondContact O-N 3.3Å; E60-I94 HydrophobicContact CB-CG2 4.02Å; E60-I94 HydrophobicContact CG-CG2 4.24Å; E60-T95 VanDerWaalsContact OE1-C 3.32Å; E60-T95 VanDerWaalsContact OE1-CA 3.31Å; E60-T95 WeakPolarHBondContact OE1-CA 3.15Å; E60-S96 WeakPolarHBondContact OE1-CB 3.17Å; E60-S96 PolarHBondContact OE1-N 3.46Å; E60-S96 PolarHBondContact OE1-OG 3.4Å
61Q97.1Very high97Very high117 Ų11761.3 Ų61.355%0.54728%0.281SS..Hα-helixtrans-67.8-43.3-177-170.761.617.800111.7N59 C63 K64 Q65N59-Q61 PolarHBondContact OD1-N 3.27Å; Q61-C63 VanDerWaalsContact C-N 3.33Å; Q61-K64 PolarHBondContact O-N 3.48Å; Q61-Q65 WeakPolarHBondContact O-CG 3.29Å; Q61-Q65 PolarHBondContact O-N 3.19Å
62R96.3Very high96.8Very high152 Ų15263 Ų6357%0.57430%0.298SS*.Hα-helixtrans-62.7-41.8174.1-178.9177.1173.9165.64.3111.2N59 K64 Q65 E66N59-R62 HydrophobicContact CB-CB 4.09Å; N59-R62 WeakPolarHBondContact OD1-CB 3.46Å; N59-R62 PolarHBondContact OD1-N 3.01Å; R62-K64 VanDerWaalsContact C-N 3.32Å; R62-K64 PolarHBondContact O-N 3.26Å; R62-Q65 PolarHBondContact O-N 2.88Å; R62-E66 HydrophobicContact CG-CG 4.41Å; R62-E66 IonicContact CZ-OE1 2.66Å; R62-E66 IonicContact NE-OE1 2.61Å; R62-E66 PolarHBondContact NE-OE1 3.2Å; R62-E66 IonicContact NH2-OE1 3.67Å; R62-E66 PolarHBondContact NH2-OE1 3.1Å; R62-E66 WeakPolarHBondContact O-CG 3.48Å; R62-E66 PolarHBondContact O-N 2.62Å
63C97.4Very high96.3Very high4 Ų467.1 Ų67.13%0.02731%0.311CS..Hα-helixtrans-60.2-42.2177.8-175.10000112L55 V57 N59 E60 Q61 E66 L67 I94L55-C63 VanDerWaalsContact CD2-SG 3.6Å; V57-C63 HydrophobicContact CB-CB 4.28Å; V57-C63 HydrophobicContact CG1-CB 4.09Å; V57-C63 HydrophobicContact CG2-CB 3.81Å; N59-C63 WeakPolarHBondContact O-CB 3.15Å; N59-C63 PolarHBondContact O-N 3.28Å; N59-C63 VanDerWaalsContact O-N 3.07Å; E60-C63 PolarHBondContact O-N 3.41Å; Q61-C63 VanDerWaalsContact C-N 3.33Å; C63-E66 PolarHBondContact O-N 3.35Å; C63-L67 WeakPolarHBondContact O-CB 3.44Å; C63-L67 PolarHBondContact O-N 3.19Å; C63-I94 HydrophobicContact CB-CG2 4.15Å
64K97.4Very high95.8Very high95 Ų9567.6 Ų67.641%0.41331%0.313SS..Hα-helixtrans-58.5-47.9175.1-72.3171.8-175.7177.10111.7E60 Q61 R62 E66 L67 E68 I94E60-K64 WeakPolarHBondContact O-CG 3.31Å; E60-K64 PolarHBondContact O-N 3.3Å; Q61-K64 PolarHBondContact O-N 3.48Å; R62-K64 VanDerWaalsContact C-N 3.32Å; R62-K64 PolarHBondContact O-N 3.26Å; K64-E66 PolarHBondContact O-N 3.22Å; K64-L67 WeakPolarHBondContact O-CB 3.35Å; K64-L67 PolarHBondContact O-N 3.24Å; K64-E68 PolarHBondContact O-N 3.24Å; K64-I94 HydrophobicContact CB-CD1 4.48Å; K64-I94 HydrophobicContact CG-CD1 3.52Å
65Q97Very high95.4Very high118 Ų11870.8 Ų70.855%0.55133%0.327SS*.Hα-helixtrans-60.2-45.2178-68.2170.9-18.400112.2Q61 R62 L67 E68 V69Q61-Q65 WeakPolarHBondContact O-CG 3.29Å; Q61-Q65 PolarHBondContact O-N 3.19Å; R62-Q65 PolarHBondContact O-N 2.88Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 2.84Å; Q65-E68 PolarHBondContact O-N 3.46Å; Q65-V69 PolarHBondContact O-N 2.96Å
66E95.2Very high94.9Very high63 Ų6375 Ų7529%0.29436%0.356SS..Hα-helixtrans-67.1-31.9178.1-69.7179.7-173.400112.7K40 R62 C63 K64 V69 M70K40-E66 HydrophobicContact CD-CB 4.31Å; K40-E66 IonicContact NZ-OE2 2.81Å; K40-E66 PolarHBondContact NZ-OE2 3.27Å; R62-E66 HydrophobicContact CG-CG 4.41Å; R62-E66 IonicContact CZ-OE1 2.66Å; R62-E66 IonicContact NE-OE1 2.61Å; R62-E66 PolarHBondContact NE-OE1 3.2Å; R62-E66 IonicContact NH2-OE1 3.67Å; R62-E66 PolarHBondContact NH2-OE1 3.1Å; R62-E66 WeakPolarHBondContact O-CG 3.48Å; R62-E66 PolarHBondContact O-N 2.62Å; C63-E66 PolarHBondContact O-N 3.35Å; K64-E66 PolarHBondContact O-N 3.22Å; E66-V69 PolarHBondContact O-N 3.05Å; E66-M70 PolarHBondContact O-N 3.41Å
67L96.3Very high94.1Very high5 Ų579.8 Ų79.83%0.02638%0.377CS..Hα-helixtrans-68.1-40.3175.9-167.167.7000111.3K40 I44 C63 K64 Q65 V69 M70 Y71 L92 I94K40-L67 HydrophobicContact CB-CD1 4.21Å; K40-L67 HydrophobicContact CD-CB 4.43Å; K40-L67 HydrophobicContact CD-CD1 4.12Å; K40-L67 HydrophobicContact CG-CD1 4.27Å; I44-L67 HydrophobicContact CD1-CD1 3.87Å; I44-L67 HydrophobicContact CG1-CD1 4.13Å; C63-L67 WeakPolarHBondContact O-CB 3.44Å; C63-L67 PolarHBondContact O-N 3.19Å; K64-L67 WeakPolarHBondContact O-CB 3.35Å; K64-L67 PolarHBondContact O-N 3.24Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 2.84Å; L67-V69 VanDerWaalsContact C-N 3.34Å; L67-V69 PolarHBondContact O-N 2.87Å; L67-M70 CarbonylContact O-C 3.52Å; L67-M70 WeakPolarHBondContact O-CB 3.43Å; L67-M70 PolarHBondContact O-N 3.42Å; L67-M70 VanDerWaalsContact O-N 3.12Å; L67-Y71 HydrophobicContact CD1-CE1 4.32Å; L67-Y71 HydrophobicContact CD2-CE2 3.98Å; L67-Y71 HydrophobicContact CG-CD2 4.37Å; L67-Y71 HydrophobicContact CG-CE1 4.23Å; L67-Y71 HydrophobicContact CG-CE2 3.82Å; L67-Y71 PolarHBondContact O-N 3.17Å; L67-L92 HydrophobicContact CD2-CD2 3.68Å; L67-I94 HydrophobicContact CD2-CD1 4.19Å
68E96.6Very high93.6Very high108 Ų10888.3 Ų88.351%0.50541%0.413SS..Hα-helixtrans-61.8-40.9174.2-70-54.1133.100112.3K64 Q65 M70 Y71 A72K64-E68 PolarHBondContact O-N 3.24Å; Q65-E68 PolarHBondContact O-N 3.46Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.38Å; E68-Y71 PolarHBondContact O-N 3.01Å; E68-A72 PolarHBondContact O-N 2.93Å
69V94.8Very high93.2Very high102 Ų10281.2 Ų81.262%0.61839%0.386SS*.Hα-helixtrans-61.5-41.9173.4175.30000110.8Q65 E66 L67 A72 R73Q65-V69 PolarHBondContact O-N 2.96Å; E66-V69 PolarHBondContact O-N 3.05Å; L67-V69 VanDerWaalsContact C-N 3.34Å; L67-V69 PolarHBondContact O-N 2.87Å; V69-A72 PolarHBondContact O-N 3Å; V69-R73 WeakPolarHBondContact O-CB 3.37Å; V69-R73 PolarHBondContact O-N 3.21Å
70M93.4Very high93Very high28 Ų2877.4 Ų77.414%0.13837%0.366CS..Hα-helixtrans-64.9-42176.5-174.1174.6-73.400111.7T37 K40 I44 E66 L67 E68 R73 E74T37-M70 HydrophobicContact CG2-CE 4.14Å; K40-M70 HydrophobicContact CB-CE 3.88Å; K40-M70 HydrophobicContact CB-SD 3.87Å; K40-M70 HydrophobicContact CD-CE 4.39Å; I44-M70 HydrophobicContact CD1-CG 4.31Å; I44-M70 HydrophobicContact CD1-SD 3.71Å; E66-M70 PolarHBondContact O-N 3.41Å; L67-M70 CarbonylContact O-C 3.52Å; L67-M70 WeakPolarHBondContact O-CB 3.43Å; L67-M70 PolarHBondContact O-N 3.42Å; L67-M70 VanDerWaalsContact O-N 3.12Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.38Å; M70-R73 PolarHBondContact O-N 2.88Å; M70-E74 HydrophobicContact CG-CG 4.28Å; M70-E74 WeakPolarHBondContact O-CB 3.25Å; M70-E74 VanDerWaalsContact O-CG 3.27Å; M70-E74 WeakPolarHBondContact O-CG 3.4Å; M70-E74 PolarHBondContact O-N 2.92Å
71Y95.4Very high92.8Very high2 Ų278.5 Ų78.51%0.00837%0.373CS..Hα-helixtrans-61.1-46.9174.5-70.5-28.7000112.2I44 L67 E68 R73 E74 K75 L80 I85 I88 N89I44-Y71 HydrophobicContact CD1-CD1 4.26Å; I44-Y71 HydrophobicContact CD1-CE1 3.81Å; I44-Y71 HydrophobicContact CG1-CE1 3.98Å; L67-Y71 HydrophobicContact CD1-CE1 4.32Å; L67-Y71 HydrophobicContact CD2-CE2 3.98Å; L67-Y71 HydrophobicContact CG-CD2 4.37Å; L67-Y71 HydrophobicContact CG-CE1 4.23Å; L67-Y71 HydrophobicContact CG-CE2 3.82Å; L67-Y71 PolarHBondContact O-N 3.17Å; E68-Y71 PolarHBondContact O-N 3.01Å; Y71-R73 VanDerWaalsContact C-N 3.32Å; Y71-R73 PolarHBondContact O-N 3.02Å; Y71-E74 PolarHBondContact O-N 3.46Å; Y71-K75 WeakPolarHBondContact O-CB 3.29Å; Y71-K75 WeakPolarHBondContact O-CG 3.3Å; Y71-K75 PolarHBondContact O-N 3.35Å; Y71-L80 HydrophobicContact CD1-CD1 3.93Å; Y71-L80 HydrophobicContact CE1-CD1 4.35Å; Y71-I85 HydrophobicContact CD1-CD1 4.31Å; Y71-I85 HydrophobicContact CD1-CG1 3.99Å; Y71-I85 HydrophobicContact CD2-CG2 3.84Å; Y71-I85 HydrophobicContact CE1-CG1 4.29Å; Y71-I85 HydrophobicContact CE1-CG2 4.48Å; Y71-I85 HydrophobicContact CE2-CG2 3.72Å; Y71-I85 HydrophobicContact CG-CD1 4.05Å; Y71-I85 HydrophobicContact CG-CG1 4.12Å; Y71-I85 HydrophobicContact CG-CG2 4.27Å; Y71-I88 HydrophobicContact CE1-CD1 4.31Å; Y71-I88 WeakPolarHBondContact OH-CG2 3.31Å; Y71-N89 PolarHBondContact OH-OD1 2.86Å
72A93.6Very high92.8Very high57 Ų5777.9 Ų77.947%0.47137%0.374SS..Hα-helixtrans-59.6-43.8177.200000111.8E68 V69 K75 S76E68-A72 PolarHBondContact O-N 2.93Å; V69-A72 PolarHBondContact O-N 3Å; A72-K75 PolarHBondContact O-N 3.29Å; A72-S76 PolarHBondContact O-N 2.91Å
73R87.8Confident92.9Very high157 Ų15778.7 Ų78.759%0.59238%0.381SS*.Hα-helixtrans-63.2-47175.7178.7177.6173.51491.2112.2V69 M70 Y71 K75 S76 F77V69-R73 WeakPolarHBondContact O-CB 3.37Å; V69-R73 PolarHBondContact O-N 3.21Å; M70-R73 PolarHBondContact O-N 2.88Å; Y71-R73 VanDerWaalsContact C-N 3.32Å; Y71-R73 PolarHBondContact O-N 3.02Å; R73-K75 VanDerWaalsContact C-N 3.3Å; R73-K75 PolarHBondContact O-N 2.77Å; R73-S76 PolarHBondContact O-N 3.34Å; R73-S76 PolarHBondContact O-OG 2.91Å; R73-F77 HydrophobicContact CG-CD2 3.93Å; R73-F77 HydrophobicContact CG-CE2 3.6Å; R73-F77 WeakPolarHBondContact O-CD2 3.07Å; R73-F77 PolarHBondContact O-N 2.86Å
74E88.7Confident92.9Very high11 Ų1182.5 Ų82.55%0.05140%0.395CS..Hα-helixtrans-70.6-29.1-178.9-68.5-70.7104.200111.8M70 Y71 K78 R79 L80 N167M70-E74 HydrophobicContact CG-CG 4.28Å; M70-E74 WeakPolarHBondContact O-CB 3.25Å; M70-E74 VanDerWaalsContact O-CG 3.27Å; M70-E74 WeakPolarHBondContact O-CG 3.4Å; M70-E74 PolarHBondContact O-N 2.92Å; Y71-E74 PolarHBondContact O-N 3.46Å; E74-K78 PolarHBondContact O-N 3.03Å; E74-R79 HydrophobicContact CB-CB 4.33Å; E74-R79 WeakPolarHBondContact O-CB 3.35Å; E74-R79 PolarHBondContact O-N 2.93Å; E74-R79 WeakPolarHBondContact OE1-CD 3.36Å; E74-R79 IonicContact OE1-CZ 3.4Å; E74-R79 IonicContact OE1-NH1 3.66Å; E74-R79 PolarHBondContact OE1-NH1 3.31Å; E74-R79 WeakPolarHBondContact OE2-CD 3.43Å; E74-R79 IonicContact OE2-NH1 3.78Å; E74-L80 HydrophobicContact CB-CB 4.23Å; E74-L80 HydrophobicContact CB-CD1 3.86Å; E74-L80 HydrophobicContact CB-CG 4.05Å; E74-L80 HydrophobicContact CG-CD1 4.47Å; E74-L80 PolarHBondContact O-N 3.07Å; E74-N167 PolarHBondContact OE2-ND2 3.29Å; E74-N167 VanDerWaalsContact OE2-ND2 3.11Å
75K91.1Very high92.9Very high85 Ų8578.7 Ų78.737%0.3738%0.379SS..Hα-helixtrans-64.9-43.4168.4-78.1-165-71.7-175.70112.4Y71 A72 R73 F77 K78 D82 I85Y71-K75 WeakPolarHBondContact O-CB 3.29Å; Y71-K75 WeakPolarHBondContact O-CG 3.3Å; Y71-K75 PolarHBondContact O-N 3.35Å; A72-K75 PolarHBondContact O-N 3.29Å; R73-K75 VanDerWaalsContact C-N 3.3Å; R73-K75 PolarHBondContact O-N 2.77Å; K75-F77 PolarHBondContact O-N 3.24Å; K75-K78 WeakPolarHBondContact O-CA 3.24Å; K75-K78 PolarHBondContact O-N 3.33Å; K75-D82 VanDerWaalsContact CD-OD1 3.29Å; K75-D82 WeakPolarHBondContact CD-OD1 3.46Å; K75-D82 IonicContact NZ-OD1 3.71Å; K75-D82 PolarHBondContact NZ-OD1 3.08Å; K75-I85 HydrophobicContact CD-CD1 3.78Å; K75-I85 HydrophobicContact CG-CD1 3.95Å
76S87.4Confident92.9Very high88 Ų8879.8 Ų79.862%0.61538%0.384SS*.Hα-helixtrans-64.2-31.3178.6760000112.3A72 R73 K78A72-S76 PolarHBondContact O-N 2.91Å; R73-S76 PolarHBondContact O-N 3.34Å; R73-S76 PolarHBondContact O-OG 2.91Å; S76-K78 VanDerWaalsContact C-N 3.27Å; S76-K78 PolarHBondContact O-N 3.15Å
77F82Confident93.1Very high106 Ų10681.2 Ų81.247%0.46539%0.389SS..THydrogen-bonded Turntrans-81.94.1170.8-66.5-58.2000114.6R73 K75 R79R73-F77 HydrophobicContact CG-CD2 3.93Å; R73-F77 HydrophobicContact CG-CE2 3.6Å; R73-F77 WeakPolarHBondContact O-CD2 3.07Å; R73-F77 PolarHBondContact O-N 2.86Å; K75-F77 PolarHBondContact O-N 3.24Å; F77-R79 HydrophobicContact CB-CG 3.9Å; F77-R79 PolarHBondContact O-N 3.31Å; F77-R79 VanDerWaalsContact O-N 3.16Å
78K87.6Confident93.1Very high191 Ų19181 Ų8183%0.8339%0.388SS*.THydrogen-bonded Turntrans57.323-176.1-54.6-178.5179.4-179.30114.1E74 K75 S76E74-K78 PolarHBondContact O-N 3.03Å; K75-K78 WeakPolarHBondContact O-CA 3.24Å; K75-K78 PolarHBondContact O-N 3.33Å; S76-K78 VanDerWaalsContact C-N 3.27Å; S76-K78 PolarHBondContact O-N 3.15Å
79R86.4Confident93.2Very high70 Ų7079.5 Ų79.526%0.26438%0.384SS..SBendtrans-84-28.3178.8-64.6169.3-178.9-178.8-7.8112E74 F77 R84 V168E74-R79 HydrophobicContact CB-CB 4.33Å; E74-R79 WeakPolarHBondContact O-CB 3.35Å; E74-R79 PolarHBondContact O-N 2.93Å; E74-R79 WeakPolarHBondContact OE1-CD 3.36Å; E74-R79 IonicContact OE1-CZ 3.4Å; E74-R79 IonicContact OE1-NH1 3.66Å; E74-R79 PolarHBondContact OE1-NH1 3.31Å; E74-R79 WeakPolarHBondContact OE2-CD 3.43Å; E74-R79 IonicContact OE2-NH1 3.78Å; F77-R79 HydrophobicContact CB-CG 3.9Å; F77-R79 PolarHBondContact O-N 3.31Å; F77-R79 VanDerWaalsContact O-N 3.16Å; R79-R84 VanDerWaalsContact O-CZ 3.28Å; R79-R84 PolarHBondContact O-NH1 3.38Å; R79-R84 PolarHBondContact O-NH2 2.88Å; R79-V168 VanDerWaalsContact CD-CG2 3.44Å; R79-V168 HydrophobicContact CG-CG2 3.95Å; R79-V168 VanDerWaalsContact NE-CG2 3.26Å
80L93.1Very high93.4Very high8 Ų878.5 Ų78.54%0.04239%0.387CS..  trans-128.5162.2173.3-69.9177.2000111.1I44 Y71 E74 R84 I85 I88I44-L80 HydrophobicContact CG2-CD1 4.36Å; Y71-L80 HydrophobicContact CD1-CD1 3.93Å; Y71-L80 HydrophobicContact CE1-CD1 4.35Å; E74-L80 HydrophobicContact CB-CB 4.23Å; E74-L80 HydrophobicContact CB-CD1 3.86Å; E74-L80 HydrophobicContact CB-CG 4.05Å; E74-L80 HydrophobicContact CG-CD1 4.47Å; E74-L80 PolarHBondContact O-N 3.07Å; L80-R84 HydrophobicContact CD2-CB 4.23Å; L80-I85 HydrophobicContact CB-CG1 4.44Å; L80-I85 HydrophobicContact CD1-CG1 4.45Å; L80-I88 HydrophobicContact CD1-CD1 4.43Å; L80-I88 HydrophobicContact CD2-CD1 4.17Å
81N95.2Very high93.6Very high81 Ų8179 Ų7943%0.43339%0.39SS..  trans-139.2168.7170.663.739.2000109.4K83 R84 I85N81-K83 VanDerWaalsContact C-N 3.32Å; N81-K83 PolarHBondContact O-N 3.23Å; N81-K83 PolarHBondContact OD1-N 3.33Å; N81-R84 PolarHBondContact O-N 2.91Å; N81-R84 VanDerWaalsContact O-N 3.1Å; N81-R84 WeakPolarHBondContact OD1-CG 3.31Å; N81-R84 PolarHBondContact OD1-N 2.81Å; N81-I85 WeakPolarHBondContact O-CG1 3.49Å; N81-I85 PolarHBondContact O-N 2.94Å
82D97.2Very high93.8Very high105 Ų10579.9 Ų79.956%0.56139%0.394SS*.Hα-helixtrans-61.7-37.6-172.5-61.2-37.6000112.7K75 R84 I85 E86K75-D82 VanDerWaalsContact CD-OD1 3.29Å; K75-D82 WeakPolarHBondContact CD-OD1 3.46Å; K75-D82 IonicContact NZ-OD1 3.71Å; K75-D82 PolarHBondContact NZ-OD1 3.08Å; D82-R84 VanDerWaalsContact C-N 3.35Å; D82-R84 PolarHBondContact O-N 2.79Å; D82-I85 PolarHBondContact O-N 2.84Å; D82-E86 PolarHBondContact O-N 2.73Å
83K97.2Very high94Very high168 Ų16881.8 Ų81.873%0.7339%0.392SS*.Hα-helixtrans-62.3-39175.5-174.5174.4-176.1174.70112.8N81 K87N81-K83 VanDerWaalsContact C-N 3.32Å; N81-K83 PolarHBondContact O-N 3.23Å; N81-K83 PolarHBondContact OD1-N 3.33Å; K83-K87 PolarHBondContact O-N 2.88Å
84R96.6Very high94.5Very high85 Ų8575.7 Ų75.732%0.32137%0.371SS..Hα-helixtrans-69.2-38.6175.4-74.4176.566.2-171.4-4111.2L48 R79 L80 N81 D82 K87 I88L48-R84 HydrophobicContact CD1-CB 3.7Å; L48-R84 HydrophobicContact CD1-CG 3.86Å; R79-R84 VanDerWaalsContact O-CZ 3.28Å; R79-R84 PolarHBondContact O-NH1 3.38Å; R79-R84 PolarHBondContact O-NH2 2.88Å; L80-R84 HydrophobicContact CD2-CB 4.23Å; N81-R84 PolarHBondContact O-N 2.91Å; N81-R84 VanDerWaalsContact O-N 3.1Å; N81-R84 WeakPolarHBondContact OD1-CG 3.31Å; N81-R84 PolarHBondContact OD1-N 2.81Å; D82-R84 VanDerWaalsContact C-N 3.35Å; D82-R84 PolarHBondContact O-N 2.79Å; R84-K87 PolarHBondContact O-N 3.18Å; R84-I88 WeakPolarHBondContact O-CD1 3.41Å; R84-I88 VanDerWaalsContact O-CG1 3.26Å; R84-I88 WeakPolarHBondContact O-CG1 3.27Å; R84-I88 PolarHBondContact O-N 3.35Å
85I97.6Very high95Very high15 Ų1575.3 Ų75.38%0.07737%0.369CS..Hα-helixtrans-64.9-42.5176.4-67.9163.8000111Y71 K75 L80 N81 D82 K87 I88 N89Y71-I85 HydrophobicContact CD1-CD1 4.31Å; Y71-I85 HydrophobicContact CD1-CG1 3.99Å; Y71-I85 HydrophobicContact CD2-CG2 3.84Å; Y71-I85 HydrophobicContact CE1-CG1 4.29Å; Y71-I85 HydrophobicContact CE1-CG2 4.48Å; Y71-I85 HydrophobicContact CE2-CG2 3.72Å; Y71-I85 HydrophobicContact CG-CD1 4.05Å; Y71-I85 HydrophobicContact CG-CG1 4.12Å; Y71-I85 HydrophobicContact CG-CG2 4.27Å; K75-I85 HydrophobicContact CD-CD1 3.78Å; K75-I85 HydrophobicContact CG-CD1 3.95Å; L80-I85 HydrophobicContact CB-CG1 4.44Å; L80-I85 HydrophobicContact CD1-CG1 4.45Å; N81-I85 WeakPolarHBondContact O-CG1 3.49Å; N81-I85 PolarHBondContact O-N 2.94Å; D82-I85 PolarHBondContact O-N 2.84Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 3.02Å; I85-I88 PolarHBondContact O-N 3.31Å; I85-I88 VanDerWaalsContact O-N 3.15Å; I85-N89 WeakPolarHBondContact O-CB 3.21Å; I85-N89 PolarHBondContact O-N 3.01Å
86E98.1Very high95.3Very high140 Ų14074.3 Ų74.365%0.65437%0.373SS*.Hα-helixtrans-56.1-47.2174.9-173.9-175.7174.500111.4D82 I88 N89 A90D82-E86 PolarHBondContact O-N 2.73Å; E86-I88 PolarHBondContact O-N 3.15Å; E86-N89 PolarHBondContact O-N 3.04Å; E86-A90 PolarHBondContact O-N 2.73Å
87K98Very high95.7Very high93 Ų9373 Ų7340%0.40436%0.359SS..Hα-helixtrans-59.6-46.3174.7-170.9-179.5178.3-161.60112L48 A49 K83 R84 I85 N89 A90 N91L48-K87 WeakPolarHBondContact O-CD 3.23Å; L48-K87 WeakPolarHBondContact O-CE 3.48Å; L48-K87 PolarHBondContact O-NZ 3.1Å; A49-K87 VanDerWaalsContact C-NZ 3.32Å; A49-K87 PolarHBondContact O-NZ 3.41Å; K83-K87 PolarHBondContact O-N 2.88Å; R84-K87 PolarHBondContact O-N 3.18Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 3.02Å; K87-N89 VanDerWaalsContact C-N 3.33Å; K87-N89 PolarHBondContact O-N 2.9Å; K87-A90 PolarHBondContact O-N 2.92Å; K87-N91 PolarHBondContact O-N 2.74Å; K87-N91 PolarHBondContact O-OD1 3.24Å; K87-N91 VanDerWaalsContact O-OD1 3.06Å
88I98.2Very high96.4Very high0 Ų070.8 Ų70.80%035%0.349CS..Hα-helixtrans-58-48.3177.9-65.2154.7000110.4I44 L48 Y71 L80 R84 I85 E86 A90 N91 L92I44-I88 HydrophobicContact CG1-CG2 4.45Å; I44-I88 HydrophobicContact CG2-CD1 3.75Å; I44-I88 HydrophobicContact CG2-CG1 4.5Å; L48-I88 HydrophobicContact CB-CD1 4.22Å; L48-I88 HydrophobicContact CB-CG1 3.74Å; L48-I88 HydrophobicContact CD1-CD1 4.26Å; L48-I88 HydrophobicContact CD1-CG1 4.12Å; Y71-I88 HydrophobicContact CE1-CD1 4.31Å; Y71-I88 WeakPolarHBondContact OH-CG2 3.31Å; L80-I88 HydrophobicContact CD1-CD1 4.43Å; L80-I88 HydrophobicContact CD2-CD1 4.17Å; R84-I88 WeakPolarHBondContact O-CD1 3.41Å; R84-I88 VanDerWaalsContact O-CG1 3.26Å; R84-I88 WeakPolarHBondContact O-CG1 3.27Å; R84-I88 PolarHBondContact O-N 3.35Å; I85-I88 PolarHBondContact O-N 3.31Å; I85-I88 VanDerWaalsContact O-N 3.15Å; E86-I88 PolarHBondContact O-N 3.15Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.43Å; I88-N91 CarbonylContact O-C 3.56Å; I88-N91 PolarHBondContact O-N 3.43Å; I88-L92 HydrophobicContact CG2-CB 4.26Å; I88-L92 HydrophobicContact CG2-CD2 4.13Å; I88-L92 WeakPolarHBondContact O-CB 3.1Å; I88-L92 PolarHBondContact O-N 3.12Å
89N98.1Very high96.8Very high77 Ų7768.3 Ų68.341%0.41234%0.34SS..Hα-helixtrans-66.8-28.9-177.2-69.5-14.1000112.9Y71 I85 E86 K87 N91Y71-N89 PolarHBondContact OH-OD1 2.86Å; I85-N89 WeakPolarHBondContact O-CB 3.21Å; I85-N89 PolarHBondContact O-N 3.01Å; E86-N89 PolarHBondContact O-N 3.04Å; K87-N89 VanDerWaalsContact C-N 3.33Å; K87-N89 PolarHBondContact O-N 2.9Å; N89-N91 VanDerWaalsContact C-N 3.26Å; N89-N91 PolarHBondContact O-N 3.43Å
90A98.4Very high97.3Very high82 Ų8270 Ų7068%0.67835%0.35SS*.Hα-helixtrans-68.1-25.9173.100000112.9E86 K87 I88E86-A90 PolarHBondContact O-N 2.73Å; K87-A90 PolarHBondContact O-N 2.92Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.43Å
91N98.5Very high97.5Very high39 Ų3969.6 Ų69.621%0.20935%0.348CS..Hα-helixtrans-106.7-16.5-176-72.4102.8000114.1G50 T53 K87 I88 N89G50-N91 VanDerWaalsContact C-ND2 3.35Å; G50-N91 PolarHBondContact O-ND2 2.89Å; G50-N91 VanDerWaalsContact O-ND2 3.08Å; T53-N91 PolarHBondContact N-O 3.4Å; K87-N91 PolarHBondContact O-N 2.74Å; K87-N91 PolarHBondContact O-OD1 3.24Å; K87-N91 VanDerWaalsContact O-OD1 3.06Å; I88-N91 CarbonylContact O-C 3.56Å; I88-N91 PolarHBondContact O-N 3.43Å; N89-N91 VanDerWaalsContact C-N 3.26Å; N89-N91 PolarHBondContact O-N 3.43Å
92L98.5Very high97.6Very high19 Ų1968.5 Ų68.510%0.09935%0.347CS..EExtended strand (participates in β ladder)trans-97.8122.7-173.4-17864.2000112.5A43 T53 L55 L67 I88A43-L92 HydrophobicContact CB-CD1 3.84Å; T53-L92 HydrophobicContact CG2-CD1 4.02Å; T53-L92 CarbonylContact O-C 3.57Å; T53-L92 WeakPolarHBondContact O-CA 2.99Å; L55-L92 HydrophobicContact CB-CD1 3.86Å; L67-L92 HydrophobicContact CD2-CD2 3.68Å; I88-L92 HydrophobicContact CG2-CB 4.26Å; I88-L92 HydrophobicContact CG2-CD2 4.13Å; I88-L92 WeakPolarHBondContact O-CB 3.1Å; I88-L92 PolarHBondContact O-N 3.12Å
93K98.6Very high97.6Very high98 Ų9869 Ų6943%0.42635%0.349SS..EExtended strand (participates in β ladder)trans-113.8105.2177.5-63.9176.1179.9177.40110.2E52 T53 F54 L55E52-K93 WeakPolarHBondContact OE1-CE 3.43Å; E52-K93 IonicContact OE1-NZ 2.69Å; E52-K93 PolarHBondContact OE1-NZ 3Å; T53-K93 PolarHBondContact O-N 3.05Å; F54-K93 CarbonylContact C-O 3.6Å; F54-K93 VanDerWaalsContact CA-O 3.31Å; F54-K93 WeakPolarHBondContact CA-O 3.32Å; F54-K93 HydrophobicContact CD1-CB 3.77Å; F54-K93 HydrophobicContact CD1-CD 4.12Å; F54-K93 HydrophobicContact CE1-CB 4.02Å; F54-K93 HydrophobicContact CE1-CD 3.5Å; F54-K93 VanDerWaalsContact CE1-CD 3.5Å; F54-K93 HydrophobicContact CE1-CG 4.39Å; F54-K93 HydrophobicContact CZ-CD 3.85Å; L55-K93 PolarHBondContact N-O 3.06Å
94I98.7Very high97.7Very high29 Ų2961 Ų6115%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-79128.7174.1-61.4168.3000108.6L55 V57 E60 C63 K64 L67L55-I94 HydrophobicContact CB-CG1 4.35Å; L55-I94 HydrophobicContact CD2-CG1 4.39Å; L55-I94 WeakPolarHBondContact O-CA 3.34Å; V57-I94 HydrophobicContact CG2-CG2 3.79Å; E60-I94 HydrophobicContact CB-CG2 4.02Å; E60-I94 HydrophobicContact CG-CG2 4.24Å; C63-I94 HydrophobicContact CB-CG2 4.15Å; K64-I94 HydrophobicContact CB-CD1 4.48Å; K64-I94 HydrophobicContact CG-CD1 3.52Å; L67-I94 HydrophobicContact CD2-CD1 4.19Å
95T98.5Very high97.8Very high2 Ų258 Ų581%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-151.1165.9179.3-159.40000112.4F54 L55 V56 V57 E60 D97 K100F54-T95 HydrophobicContact CD1-CG2 4.46Å; L55-T95 PolarHBondContact O-N 3.46Å; V56-T95 CarbonylContact C-O 3.58Å; V56-T95 VanDerWaalsContact CA-O 3.24Å; V56-T95 WeakPolarHBondContact CA-O 3.49Å; V56-T95 HydrophobicContact CG2-CG2 4.26Å; V57-T95 PolarHBondContact N-O 3.42Å; E60-T95 VanDerWaalsContact OE1-C 3.32Å; E60-T95 VanDerWaalsContact OE1-CA 3.31Å; E60-T95 WeakPolarHBondContact OE1-CA 3.15Å; T95-D97 PolarHBondContact OG1-N 3.42Å; T95-K100 HydrophobicContact CG2-CD 4.24Å; T95-K100 PolarHBondContact OG1-NZ 3.41Å
96S97.2Very high97.8Very high64 Ų6457.3 Ų57.345%0.44830%0.301SS..SBendtrans-115.62.5172.151.80000113V57 E60V57-S96 WeakPolarHBondContact O-CA 3.4Å; V57-S96 WeakPolarHBondContact O-CB 3.36Å; E60-S96 WeakPolarHBondContact OE1-CB 3.17Å; E60-S96 PolarHBondContact OE1-N 3.46Å; E60-S96 PolarHBondContact OE1-OG 3.4Å
97D97Very high97.8Very high61 Ų6150.7 Ų50.733%0.32627%0.27SS..  trans-105.3120.4-174.2175.117.3000111.9T95 H99 K100T95-D97 PolarHBondContact OG1-N 3.42Å; D97-H99 WeakPolarHBondContact OD1-CB 3.26Å; D97-H99 IonicContact OD1-CD2 3.27Å; D97-H99 PolarHBondContact OD1-CD2 2.79Å; D97-H99 IonicContact OD1-CG 2.8Å; D97-H99 PolarHBondContact OD1-N 3.31Å; D97-K100 HydrophobicContact CB-CD 4.45Å; D97-K100 HydrophobicContact CB-CG 4.46Å
98F95.8Very high97.9Very high59 Ų5946.2 Ų46.226%0.25925%0.251SS..G310 helixtrans-75.5-22.2179.9-77.4-95.4000113.6I33 V56 K100 L101 L121 L125 I128I33-F98 HydrophobicContact CD1-CE1 4.01Å; I33-F98 HydrophobicContact CG2-CZ 4.36Å; V56-F98 HydrophobicContact CG1-CE1 4.38Å; V56-F98 HydrophobicContact CG1-CE2 4.09Å; V56-F98 HydrophobicContact CG1-CZ 4.02Å; F98-K100 PolarHBondContact O-N 3.26Å; F98-K100 VanDerWaalsContact O-N 3.15Å; F98-L101 HydrophobicContact CD1-CD1 3.81Å; F98-L101 HydrophobicContact CE1-CD1 4.43Å; F98-L101 HydrophobicContact CG-CD1 4.48Å; F98-L101 WeakPolarHBondContact O-CB 3.5Å; F98-L101 WeakPolarHBondContact O-CG 3.43Å; F98-L101 PolarHBondContact O-N 3.38Å; F98-L121 HydrophobicContact CE1-CD1 3.63Å; F98-L121 HydrophobicContact CZ-CD1 3.77Å; F98-L125 HydrophobicContact CD1-CD2 3.7Å; F98-L125 HydrophobicContact CE1-CD2 3.95Å; F98-I128 HydrophobicContact CB-CD1 4.03Å
99H95.4Very high97.9Very high139 Ų13946.2 Ų46.264%0.64425%0.251SS*.G310 helixtrans-66.5-18.5-179.2-68.9-73.5000112.9D97 L101D97-H99 WeakPolarHBondContact OD1-CB 3.26Å; D97-H99 IonicContact OD1-CD2 3.27Å; D97-H99 PolarHBondContact OD1-CD2 2.79Å; D97-H99 IonicContact OD1-CG 2.8Å; D97-H99 PolarHBondContact OD1-N 3.31Å; H99-L101 PolarHBondContact O-N 2.84Å
100K96.9Very high97.8Very high105 Ų10543.4 Ų43.446%0.45724%0.237SC..G310 helixtrans-71.9-11.3174.2-61.9-176-175.1169.70113.7F54 T95 D97 F98F54-K100 HydrophobicContact CD1-CB 4.41Å; F54-K100 HydrophobicContact CE1-CB 4.13Å; T95-K100 HydrophobicContact CG2-CD 4.24Å; T95-K100 PolarHBondContact OG1-NZ 3.41Å; D97-K100 HydrophobicContact CB-CD 4.45Å; D97-K100 HydrophobicContact CB-CG 4.46Å; F98-K100 PolarHBondContact O-N 3.26Å; F98-K100 VanDerWaalsContact O-N 3.15Å
101L97.8Very high97.6Very high0 Ų041.2 Ų41.20%022%0.215CC..G310 helixtrans-95-2.7-172.9-45.7-177000113.5A31 F54 V56 F98 H99 N103 C104 I107 L125A31-L101 HydrophobicContact CB-CD1 4.14Å; A31-L101 HydrophobicContact CB-CD2 3.73Å; A31-L101 HydrophobicContact CB-CG 4.38Å; F54-L101 HydrophobicContact CB-CD2 3.75Å; F54-L101 HydrophobicContact CD1-CD2 4.48Å; F54-L101 HydrophobicContact CD2-CD2 4.36Å; F54-L101 HydrophobicContact CG-CD2 3.96Å; V56-L101 HydrophobicContact CG2-CD1 3.84Å; V56-L101 HydrophobicContact CG2-CD2 3.82Å; V56-L101 HydrophobicContact CG2-CG 4.37Å; F98-L101 HydrophobicContact CD1-CD1 3.81Å; F98-L101 HydrophobicContact CE1-CD1 4.43Å; F98-L101 HydrophobicContact CG-CD1 4.48Å; F98-L101 WeakPolarHBondContact O-CB 3.5Å; F98-L101 WeakPolarHBondContact O-CG 3.43Å; F98-L101 PolarHBondContact O-N 3.38Å; H99-L101 PolarHBondContact O-N 2.84Å; L101-N103 PolarHBondContact O-N 2.77Å; L101-C104 WeakPolarHBondContact O-CB 3.46Å; L101-C104 PolarHBondContact O-N 3.13Å; L101-I107 HydrophobicContact CB-CD1 4.15Å; L101-I107 HydrophobicContact CD1-CD1 4.3Å; L101-L125 HydrophobicContact CD1-CD2 4.14Å
102S97.1Very high97.2Very high59 Ų5944.4 Ų44.441%0.41323%0.231SC..THydrogen-bonded Turntrans-57-29-172.357.20000114.1I128 K130S102-I128 WeakPolarHBondContact CA-O 3.3Å; S102-I128 WeakPolarHBondContact CB-O 3.46Å; S102-K130 PolarHBondContact O-N 2.85Å; S102-K130 VanDerWaalsContact O-N 3.16Å
103N97.4Very high96.7Very high115 Ų11545.6 Ų45.662%0.61524%0.236SC*.THydrogen-bonded Turntrans-101.63.9179.1-160.438.3000114.5L101 K130L101-N103 PolarHBondContact O-N 2.77Å; N103-K130 PolarHBondContact O-NZ 2.87Å; N103-K130 PolarHBondContact OD1-NZ 2.71Å
104C98.4Very high96.3Very high1 Ų144.1 Ų44.11%0.00723%0.233CC..  trans-64.5142.1176.1-70.70000111.2L101 I107 K130 C133L101-C104 WeakPolarHBondContact O-CB 3.46Å; L101-C104 PolarHBondContact O-N 3.13Å; C104-I107 HydrophobicContact CB-CD1 4.38Å; C104-I107 HydrophobicContact CB-CG1 4.07Å; C104-K130 VanDerWaalsContact O-CE 3.26Å; C104-K130 WeakPolarHBondContact O-CE 3.36Å; C104-C133 PolarHBondContact O-SG 2.76Å; C104-C133 VanDerWaalsContact O-SG 3.35Å
105D98.6Very high96.1Very high20 Ų2045 Ų4511%0.10724%0.237CC..SBendtrans-88.6-31.8178.8-53.4-60.4000111.8V27 N28 S29 K130 C133 I134V27-D105 HydrophobicContact CB-CB 4.32Å; V27-D105 HydrophobicContact CG1-CB 4.22Å; V27-D105 HydrophobicContact CG2-CB 4.26Å; N28-D105 WeakPolarHBondContact CA-OD2 3.28Å; N28-D105 PolarHBondContact N-OD2 3.3Å; S29-D105 PolarHBondContact N-OD2 3.07Å; S29-D105 PolarHBondContact O-N 3.2Å; D105-K130 VanDerWaalsContact OD1-CE 3.3Å; D105-K130 WeakPolarHBondContact OD1-CE 3.46Å; D105-K130 IonicContact OD1-NZ 2.62Å; D105-K130 PolarHBondContact OD1-NZ 2.98Å; D105-C133 WeakPolarHBondContact O-CA 3.46Å; D105-I134 PolarHBondContact O-N 3.4Å
106L98.8Very high96Very high2 Ų253.1 Ų53.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-138.6131.7179.6171.966.3000110V27 S29 V30 A31 F46 V108 I134 I160 A191V27-L106 HydrophobicContact CG1-CB 3.85Å; V27-L106 HydrophobicContact CG1-CD2 4.39Å; V27-L106 HydrophobicContact CG2-CB 4.39Å; S29-L106 PolarHBondContact O-N 2.74Å; V30-L106 CarbonylContact C-O 3.51Å; V30-L106 VanDerWaalsContact CA-O 3.24Å; V30-L106 WeakPolarHBondContact CA-O 3.32Å; V30-L106 HydrophobicContact CG2-CB 4.27Å; V30-L106 HydrophobicContact CG2-CD2 4.44Å; A31-L106 PolarHBondContact N-O 2.87Å; F46-L106 HydrophobicContact CE1-CD2 4.41Å; F46-L106 HydrophobicContact CZ-CD2 4.14Å; L106-V108 HydrophobicContact CD1-CG2 4.24Å; L106-V108 HydrophobicContact CD2-CG2 4.16Å; L106-V108 HydrophobicContact CG-CG2 4Å; L106-I134 WeakPolarHBondContact CA-O 3.3Å; L106-I134 HydrophobicContact CD1-CB 3.97Å; L106-I134 HydrophobicContact CD1-CG2 3.88Å; L106-I160 HydrophobicContact CD1-CD1 3.92Å; L106-I160 HydrophobicContact CD2-CD1 4.48Å; L106-A191 HydrophobicContact CD2-CB 3.82Å
107I98.8Very high95.9Very high0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-120.5123172.6-59.1-171.5000109.2A31 I33 L101 C104 L125 C129 I134 F135 G136A31-I107 HydrophobicContact CB-CB 4.41Å; A31-I107 HydrophobicContact CB-CD1 4.34Å; A31-I107 HydrophobicContact CB-CG1 3.91Å; A31-I107 HydrophobicContact CB-CG2 4.19Å; A31-I107 CarbonylContact O-C 3.52Å; A31-I107 VanDerWaalsContact O-CA 3.3Å; A31-I107 WeakPolarHBondContact O-CA 3.5Å; I33-I107 HydrophobicContact CD1-CG2 3.43Å; I33-I107 VanDerWaalsContact CD1-CG2 3.43Å; I33-I107 HydrophobicContact CG1-CG2 3.9Å; L101-I107 HydrophobicContact CB-CD1 4.15Å; L101-I107 HydrophobicContact CD1-CD1 4.3Å; C104-I107 HydrophobicContact CB-CD1 4.38Å; C104-I107 HydrophobicContact CB-CG1 4.07Å; I107-L125 HydrophobicContact CD1-CD2 3.93Å; I107-L125 HydrophobicContact CG2-CD1 4.08Å; I107-C129 WeakPolarHBondContact CD1-SG 3.46Å; I107-I134 PolarHBondContact N-O 2.91Å; I107-F135 HydrophobicContact CB-CD1 4.27Å; I107-F135 HydrophobicContact CD1-CE1 4.4Å; I107-G136 WeakPolarHBondContact O-CA 3.25Å; I107-G136 PolarHBondContact O-N 2.76Å
108V98.6Very high96Very high0 Ų049.5 Ų49.50%025%0.247CC..EExtended strand (participates in β ladder)trans-110.6118.4177.2-166.20000110.9A31 I32 I33 M42 L106 G136 N138 I160A31-V108 PolarHBondContact O-N 3.24Å; I32-V108 CarbonylContact C-O 3.57Å; I32-V108 WeakPolarHBondContact CA-O 3.26Å; I32-V108 HydrophobicContact CD1-CB 3.71Å; I32-V108 HydrophobicContact CD1-CG2 3.99Å; I33-V108 PolarHBondContact N-O 3.33Å; M42-V108 HydrophobicContact CE-CG1 4.08Å; M42-V108 HydrophobicContact SD-CG1 3.94Å; L106-V108 HydrophobicContact CD1-CG2 4.24Å; L106-V108 HydrophobicContact CD2-CG2 4.16Å; L106-V108 HydrophobicContact CG-CG2 4Å; V108-G136 CarbonylContact C-O 3.57Å; V108-G136 WeakPolarHBondContact CA-O 3.21Å; V108-N138 HydrophobicContact CG1-CB 4.41Å; V108-I160 HydrophobicContact CG1-CB 4.41Å; V108-I160 HydrophobicContact CG2-CD1 4.16Å
109E98.2Very high96.1Very high0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-84132.7178.2-180-78.6125.900111.4V111 K118 L121 F122 G136 T137 N138E109-V111 HydrophobicContact CG-CG2 4.14Å; E109-V111 WeakPolarHBondContact OE1-CA 3.36Å; E109-V111 WeakPolarHBondContact OE1-CG2 3.22Å; E109-V111 PolarHBondContact OE1-N 3.19Å; E109-K118 IonicContact OE1-NZ 3.78Å; E109-K118 PolarHBondContact OE1-NZ 3.35Å; E109-K118 WeakPolarHBondContact OE2-CD 3.46Å; E109-K118 IonicContact OE2-NZ 2.76Å; E109-K118 PolarHBondContact OE2-NZ 2.84Å; E109-L121 HydrophobicContact CB-CD2 4.37Å; E109-L121 HydrophobicContact CG-CD2 3.49Å; E109-L121 VanDerWaalsContact CG-CD2 3.49Å; E109-F122 HydrophobicContact CB-CE1 4.14Å; E109-F122 HydrophobicContact CB-CE2 4.09Å; E109-F122 HydrophobicContact CB-CZ 3.47Å; E109-F122 VanDerWaalsContact CB-CZ 3.47Å; E109-F122 HydrophobicContact CG-CE2 4.13Å; E109-F122 HydrophobicContact CG-CZ 4.01Å; E109-G136 PolarHBondContact N-O 2.55Å; E109-T137 PolarHBondContact OE2-OG1 3.02Å; E109-N138 WeakPolarHBondContact O-CB 3.42Å; E109-N138 PolarHBondContact O-N 3.24Å
110S96.4Very high96.2Very high17 Ų1748.9 Ų48.912%0.11925%0.245CC..  trans-146.538.6177.6178.80000111.9I33 G39 M42I33-S110 CarbonylContact O-C 3.58Å; I33-S110 VanDerWaalsContact O-C 3.31Å; I33-S110 WeakPolarHBondContact O-CA 3.36Å; I33-S110 PolarHBondContact O-N 2.9Å; G39-S110 PolarHBondContact N-OG 2.82Å; M42-S110 VanDerWaalsContact CE-CB 3.45Å
111V94.4Very high96.2Very high36 Ų3644.9 Ų44.922%0.21823%0.228CC..SBendtrans-76.4179.6168.9-55.80000111.1I33 E109 L117 K118 L121I33-V111 HydrophobicContact CG2-CG1 3.94Å; I33-V111 PolarHBondContact O-N 2.9Å; E109-V111 HydrophobicContact CG-CG2 4.14Å; E109-V111 WeakPolarHBondContact OE1-CA 3.36Å; E109-V111 WeakPolarHBondContact OE1-CG2 3.22Å; E109-V111 PolarHBondContact OE1-N 3.19Å; V111-L117 HydrophobicContact CB-CD2 4.17Å; V111-L117 HydrophobicContact CG2-CD2 3.7Å; V111-L117 HydrophobicContact CG2-CG 4.08Å; V111-K118 HydrophobicContact CG2-CG 4.14Å; V111-L121 HydrophobicContact CG1-CD2 4.34Å; V111-L121 HydrophobicContact CG2-CD2 4.34Å
112I89.6Confident96.3Very high107 Ų10744.9 Ų44.955%0.54923%0.228SC..  trans-57.6149.4178.659.1173.9000111.3D114 L117 K118I112-D114 HydrophobicContact CD1-CB 4.47Å; I112-D114 HydrophobicContact CG1-CB 4.32Å; I112-D114 PolarHBondContact O-N 3.27Å; I112-L117 HydrophobicContact CD1-CD2 4.02Å; I112-L117 HydrophobicContact CG1-CD2 3.49Å; I112-L117 VanDerWaalsContact CG1-CD2 3.49Å; I112-K118 WeakPolarHBondContact O-CE 3.35Å
113E88.4Confident96.3Very high43 Ų4343.5 Ų43.520%0.20122%0.221CC..SBendtrans-69.976.7177.1-66.7-71.2-16400111.4K118 T139 S140 L142E113-K118 WeakPolarHBondContact OE2-CE 3.08Å; E113-K118 IonicContact OE2-NZ 3.92Å; E113-K118 PolarHBondContact OE2-NZ 2.82Å; E113-T139 VanDerWaalsContact CD-OG1 3.31Å; E113-T139 VanDerWaalsContact OE1-CA 3.31Å; E113-T139 WeakPolarHBondContact OE1-CA 3.31Å; E113-T139 PolarHBondContact OE1-OG1 2.98Å; E113-T139 PolarHBondContact OE2-OG1 3.41Å; E113-S140 PolarHBondContact OE1-N 3.32Å; E113-L142 WeakPolarHBondContact OE2-CD1 3.32Å
114D91Very high96.3Very high68 Ų6841.9 Ų41.936%0.36421%0.212SC..  trans-132.1118.9174.9-178.1-60.8000109.1I112 K116 L117 K118I112-D114 HydrophobicContact CD1-CB 4.47Å; I112-D114 HydrophobicContact CG1-CB 4.32Å; I112-D114 PolarHBondContact O-N 3.27Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 2.8Å; D114-K116 WeakPolarHBondContact OD1-CA 3.48Å; D114-K116 WeakPolarHBondContact OD1-CB 3.1Å; D114-K116 PolarHBondContact OD1-N 2.8Å; D114-L117 HydrophobicContact CB-CB 3.93Å; D114-L117 PolarHBondContact O-N 3.1Å; D114-L117 PolarHBondContact OD1-N 3.32Å; D114-K118 WeakPolarHBondContact O-CG 3.44Å; D114-K118 PolarHBondContact O-N 3Å
115M93.3Very high96.2Very high47 Ų4741.8 Ų41.823%0.23221%0.212CC..Hα-helixtrans-62.1-39.5-176.4-179.258.174.400112.6K119 L142 E146 I147M115-K119 HydrophobicContact CG-CD 4.17Å; M115-K119 WeakPolarHBondContact O-CB 3.33Å; M115-K119 WeakPolarHBondContact O-CG 3.5Å; M115-K119 PolarHBondContact O-N 2.9Å; M115-K119 HydrophobicContact SD-CD 4.18Å; M115-K119 HydrophobicContact SD-CG 4.14Å; M115-L142 HydrophobicContact CE-CB 3.85Å; M115-L142 HydrophobicContact CE-CD1 4.38Å; M115-L142 HydrophobicContact CE-CD2 4.27Å; M115-L142 HydrophobicContact CE-CG 4.4Å; M115-E146 HydrophobicContact CE-CB 3.47Å; M115-E146 VanDerWaalsContact CE-CB 3.47Å; M115-E146 HydrophobicContact CE-CG 4.28Å; M115-E146 HydrophobicContact SD-CB 3.83Å; M115-I147 HydrophobicContact CE-CG1 4.05Å; M115-I147 HydrophobicContact SD-CG1 3.7Å
116K96.2Very high96.1Very high173 Ų17342.4 Ų42.475%0.75221%0.214SC*.Hα-helixtrans-68.3-45.5-178.6-67.6-178.1178.4179.90110.3D114 K118 K119 E120D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 2.8Å; D114-K116 WeakPolarHBondContact OD1-CA 3.48Å; D114-K116 WeakPolarHBondContact OD1-CB 3.1Å; D114-K116 PolarHBondContact OD1-N 2.8Å; K116-K118 VanDerWaalsContact C-N 3.35Å; K116-K118 PolarHBondContact O-N 3.14Å; K116-K119 PolarHBondContact O-N 2.83Å; K116-E120 WeakPolarHBondContact O-CB 3.45Å; K116-E120 PolarHBondContact O-N 2.86Å
117L96.3Very high96Very high47 Ų4747.5 Ų47.525%0.24624%0.241CC..Hα-helixtrans-59-45.8177.8178.564000111.5V111 I112 D114 L121V111-L117 HydrophobicContact CB-CD2 4.17Å; V111-L117 HydrophobicContact CG2-CD2 3.7Å; V111-L117 HydrophobicContact CG2-CG 4.08Å; I112-L117 HydrophobicContact CD1-CD2 4.02Å; I112-L117 HydrophobicContact CG1-CD2 3.49Å; I112-L117 VanDerWaalsContact CG1-CD2 3.49Å; D114-L117 HydrophobicContact CB-CB 3.93Å; D114-L117 PolarHBondContact O-N 3.1Å; D114-L117 PolarHBondContact OD1-N 3.32Å; L117-L121 VanDerWaalsContact O-CB 3.24Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 PolarHBondContact O-N 3.37Å
118K97.6Very high95.9Very high1 Ų149.4 Ų49.40%0.00425%0.251CS..Hα-helixtrans-67.4-42.9-180-69176.2-166.9-85.80111.8E109 V111 I112 E113 D114 K116 E120 L121 F122 L142 I147E109-K118 IonicContact OE1-NZ 3.78Å; E109-K118 PolarHBondContact OE1-NZ 3.35Å; E109-K118 WeakPolarHBondContact OE2-CD 3.46Å; E109-K118 IonicContact OE2-NZ 2.76Å; E109-K118 PolarHBondContact OE2-NZ 2.84Å; V111-K118 HydrophobicContact CG2-CG 4.14Å; I112-K118 WeakPolarHBondContact O-CE 3.35Å; E113-K118 WeakPolarHBondContact OE2-CE 3.08Å; E113-K118 IonicContact OE2-NZ 3.92Å; E113-K118 PolarHBondContact OE2-NZ 2.82Å; D114-K118 WeakPolarHBondContact O-CG 3.44Å; D114-K118 PolarHBondContact O-N 3Å; K116-K118 VanDerWaalsContact C-N 3.35Å; K116-K118 PolarHBondContact O-N 3.14Å; K118-E120 PolarHBondContact O-N 2.98Å; K118-L121 PolarHBondContact O-N 3.47Å; K118-F122 WeakPolarHBondContact O-CD2 3.39Å; K118-F122 PolarHBondContact O-N 2.88Å; K118-L142 HydrophobicContact CD-CD1 3.58Å; K118-I147 HydrophobicContact CD-CD1 4.15Å
119K98.3Very high95.8Very high46 Ų4650.1 Ų50.120%0.226%0.256CS..Hα-helixtrans-56.1-51.3174-80.8-179.1170-174.10111.5M115 K116 L121 F122 A123 E146 S149 V150M115-K119 HydrophobicContact CG-CD 4.17Å; M115-K119 WeakPolarHBondContact O-CB 3.33Å; M115-K119 WeakPolarHBondContact O-CG 3.5Å; M115-K119 PolarHBondContact O-N 2.9Å; M115-K119 HydrophobicContact SD-CD 4.18Å; M115-K119 HydrophobicContact SD-CG 4.14Å; K116-K119 PolarHBondContact O-N 2.83Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.96Å; K119-F122 PolarHBondContact O-N 3.01Å; K119-A123 WeakPolarHBondContact O-CB 3.46Å; K119-A123 PolarHBondContact O-N 3.08Å; K119-E146 VanDerWaalsContact CE-C 3.45Å; K119-E146 WeakPolarHBondContact CE-O 3.5Å; K119-E146 PolarHBondContact NZ-O 3.3Å; K119-E146 IonicContact NZ-OE2 2.58Å; K119-E146 PolarHBondContact NZ-OE2 3.16Å; K119-S149 PolarHBondContact NZ-OG 3.44Å; K119-V150 HydrophobicContact CB-CG1 4.02Å; K119-V150 HydrophobicContact CB-CG2 3.9Å; K119-V150 HydrophobicContact CD-CG1 3.76Å; K119-V150 HydrophobicContact CG-CG1 3.84Å; K119-V150 HydrophobicContact CG-CG2 4.02Å; K119-V150 WeakPolarHBondContact O-CG2 3.3Å
120E97.9Very high95.7Very high139 Ų13953 Ų5365%0.6527%0.268SS*.Hα-helixtrans-61.3-42.2179.1-172.8-176.8162.300112K116 K118 N124K116-E120 WeakPolarHBondContact O-CB 3.45Å; K116-E120 PolarHBondContact O-N 2.86Å; K118-E120 PolarHBondContact O-N 2.98Å; E120-N124 WeakPolarHBondContact O-CB 3.31Å; E120-N124 PolarHBondContact O-N 3.32Å
121L98Very high95.7Very high21 Ų2157.3 Ų57.311%0.1130%0.298CS..Hα-helixtrans-60.7-50.9178.6178.463.5000112.2I33 F98 E109 V111 L117 K118 K119 N124 L125I33-L121 HydrophobicContact CB-CD2 4.48Å; I33-L121 HydrophobicContact CD1-CD1 4.18Å; I33-L121 HydrophobicContact CD1-CD2 4.24Å; I33-L121 HydrophobicContact CD1-CG 4.43Å; I33-L121 HydrophobicContact CG2-CD1 4.31Å; I33-L121 HydrophobicContact CG2-CD2 3.95Å; F98-L121 HydrophobicContact CE1-CD1 3.63Å; F98-L121 HydrophobicContact CZ-CD1 3.77Å; E109-L121 HydrophobicContact CB-CD2 4.37Å; E109-L121 HydrophobicContact CG-CD2 3.49Å; E109-L121 VanDerWaalsContact CG-CD2 3.49Å; V111-L121 HydrophobicContact CG1-CD2 4.34Å; V111-L121 HydrophobicContact CG2-CD2 4.34Å; L117-L121 VanDerWaalsContact O-CB 3.24Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 PolarHBondContact O-N 3.37Å; K118-L121 PolarHBondContact O-N 3.47Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.96Å; L121-N124 WeakPolarHBondContact O-CB 3.38Å; L121-N124 PolarHBondContact O-N 3.02Å; L121-L125 HydrophobicContact CD1-CD1 4.22Å; L121-L125 HydrophobicContact CD1-CG 4.43Å; L121-L125 HydrophobicContact CG-CD1 4.02Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.22Å; L121-L125 PolarHBondContact O-N 2.92Å
122F98.3Very high95.7Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-67-39.8-179-76.9-63000112.4E109 K118 K119 N124 L125 E126 F135 I147 L151 L157E109-F122 HydrophobicContact CB-CE1 4.14Å; E109-F122 HydrophobicContact CB-CE2 4.09Å; E109-F122 HydrophobicContact CB-CZ 3.47Å; E109-F122 VanDerWaalsContact CB-CZ 3.47Å; E109-F122 HydrophobicContact CG-CE2 4.13Å; E109-F122 HydrophobicContact CG-CZ 4.01Å; K118-F122 WeakPolarHBondContact O-CD2 3.39Å; K118-F122 PolarHBondContact O-N 2.88Å; K119-F122 PolarHBondContact O-N 3.01Å; F122-N124 VanDerWaalsContact C-N 3.27Å; F122-N124 PolarHBondContact O-N 3.2Å; F122-L125 HydrophobicContact CD1-CD1 4.17Å; F122-L125 PolarHBondContact O-N 3.16Å; F122-E126 PolarHBondContact O-N 3.35Å; F122-F135 HydrophobicContact CD1-CB 3.89Å; F122-F135 HydrophobicContact CD1-CG 4.12Å; F122-F135 HydrophobicContact CE1-CB 3.76Å; F122-F135 HydrophobicContact CE1-CG 4.38Å; F122-I147 HydrophobicContact CD2-CG2 3.29Å; F122-I147 HydrophobicContact CE2-CG2 3.52Å; F122-I147 HydrophobicContact CG-CG2 4.32Å; F122-L151 HydrophobicContact CB-CD2 4.07Å; F122-L151 WeakPolarHBondContact O-CD2 3.31Å; F122-L157 HydrophobicContact CD1-CD1 3.92Å; F122-L157 HydrophobicContact CD2-CD1 4.23Å; F122-L157 HydrophobicContact CE1-CD1 3.74Å; F122-L157 HydrophobicContact CE2-CD1 4.06Å; F122-L157 HydrophobicContact CG-CD1 4.16Å; F122-L157 HydrophobicContact CZ-CD1 3.8Å
123A97.6Very high96.2Very high30 Ų3053.1 Ų53.125%0.24828%0.278CS..Hα-helixtrans-60.6-36.8173.700000112.2K119 N127 V150K119-A123 WeakPolarHBondContact O-CB 3.46Å; K119-A123 PolarHBondContact O-N 3.08Å; A123-N127 PolarHBondContact O-ND2 3.04Å; A123-V150 HydrophobicContact CB-CG2 4.3Å
124N97.1Very high96.7Very high81 Ų8151 Ų5143%0.43327%0.268SS..Hα-helixtrans-67.7-47.8175.1-168.3-43.8000111.4E120 L121 F122 E126 N127 I128E120-N124 WeakPolarHBondContact O-CB 3.31Å; E120-N124 PolarHBondContact O-N 3.32Å; L121-N124 WeakPolarHBondContact O-CB 3.38Å; L121-N124 PolarHBondContact O-N 3.02Å; F122-N124 VanDerWaalsContact C-N 3.27Å; F122-N124 PolarHBondContact O-N 3.2Å; N124-E126 VanDerWaalsContact C-N 3.31Å; N124-E126 PolarHBondContact O-N 2.86Å; N124-N127 PolarHBondContact O-N 3.32Å; N124-N127 VanDerWaalsContact O-N 3.08Å; N124-I128 VanDerWaalsContact OD1-CD1 3.25Å; N124-I128 WeakPolarHBondContact OD1-CD1 3.46Å
125L97.2Very high97Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-59.3-38.5179.9-71.4166.5000113.1I33 F98 L101 I107 L121 F122 N127 I128 C129 F135I33-L125 HydrophobicContact CD1-CD1 3.47Å; I33-L125 VanDerWaalsContact CD1-CD1 3.47Å; I33-L125 HydrophobicContact CD1-CD2 3.99Å; I33-L125 HydrophobicContact CD1-CG 4.28Å; F98-L125 HydrophobicContact CD1-CD2 3.7Å; F98-L125 HydrophobicContact CE1-CD2 3.95Å; L101-L125 HydrophobicContact CD1-CD2 4.14Å; I107-L125 HydrophobicContact CD1-CD2 3.93Å; I107-L125 HydrophobicContact CG2-CD1 4.08Å; L121-L125 HydrophobicContact CD1-CD1 4.22Å; L121-L125 HydrophobicContact CD1-CG 4.43Å; L121-L125 HydrophobicContact CG-CD1 4.02Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.22Å; L121-L125 PolarHBondContact O-N 2.92Å; F122-L125 HydrophobicContact CD1-CD1 4.17Å; F122-L125 PolarHBondContact O-N 3.16Å; L125-N127 PolarHBondContact O-N 2.94Å; L125-N127 VanDerWaalsContact O-N 3.16Å; L125-I128 PolarHBondContact O-N 2.97Å; L125-C129 WeakPolarHBondContact O-CB 3.37Å; L125-C129 PolarHBondContact O-N 2.83Å; L125-C129 PolarHBondContact O-SG 3.18Å; L125-F135 HydrophobicContact CB-CE1 4.08Å; L125-F135 HydrophobicContact CB-CZ 4.2Å
126E97.1Very high97.3Very high32 Ų3246 Ų4615%0.1524%0.242CC..Hα-helixtrans-59.6-25.1178-162.9-171.6-127.300112.8F122 N124 F135 L151 R152 D153F122-E126 PolarHBondContact O-N 3.35Å; N124-E126 VanDerWaalsContact C-N 3.31Å; N124-E126 PolarHBondContact O-N 2.86Å; E126-F135 HydrophobicContact CB-CE2 4.13Å; E126-F135 HydrophobicContact CB-CZ 4.46Å; E126-F135 HydrophobicContact CG-CE2 4.31Å; E126-L151 HydrophobicContact CB-CD2 3.86Å; E126-L151 HydrophobicContact CG-CD2 4.17Å; E126-R152 PolarHBondContact OE1-N 3.29Å; E126-R152 WeakPolarHBondContact OE2-CB 3.48Å; E126-R152 IonicContact OE2-CZ 2.73Å; E126-R152 PolarHBondContact OE2-N 3.49Å; E126-R152 VanDerWaalsContact OE2-N 3.14Å; E126-R152 IonicContact OE2-NE 3.48Å; E126-R152 PolarHBondContact OE2-NE 3.1Å; E126-R152 IonicContact OE2-NH2 2.85Å; E126-R152 PolarHBondContact OE2-NH2 3.22Å; E126-D153 PolarHBondContact OE1-N 2.95Å
127N95.8Very high97.3Very high110 Ų11037.7 Ų37.759%0.58821%0.206SC*.THydrogen-bonded Turntrans-86.5-13.7177.7-67.3-61.8000113.9A123 N124 L125 R152A123-N127 PolarHBondContact O-ND2 3.04Å; N124-N127 PolarHBondContact O-N 3.32Å; N124-N127 VanDerWaalsContact O-N 3.08Å; L125-N127 PolarHBondContact O-N 2.94Å; L125-N127 VanDerWaalsContact O-N 3.16Å; N127-R152 PolarHBondContact OD1-NH2 3.13Å
128I96Very high97.3Very high39 Ų3936 Ų3620%0.220%0.197CC..THydrogen-bonded Turntrans-107.7-36.9-174.9-62.2174.5000111.3F98 S102 N124 L125F98-I128 HydrophobicContact CB-CD1 4.03Å; S102-I128 WeakPolarHBondContact CA-O 3.3Å; S102-I128 WeakPolarHBondContact CB-O 3.46Å; N124-I128 VanDerWaalsContact OD1-CD1 3.25Å; N124-I128 WeakPolarHBondContact OD1-CD1 3.46Å; L125-I128 PolarHBondContact O-N 2.97Å
129C97.4Very high96.9Very high16 Ų1636 Ų3611%0.10820%0.197CC..SBendtrans-84.3153.1-173.3-54.80000111.5I107 L125 C133 F135I107-C129 WeakPolarHBondContact CD1-SG 3.46Å; L125-C129 WeakPolarHBondContact O-CB 3.37Å; L125-C129 PolarHBondContact O-N 2.83Å; L125-C129 PolarHBondContact O-SG 3.18Å; C129-C133 HydrophobicContact CB-CB 3.85Å; C129-F135 HydrophobicContact CB-CE1 4.12Å; C129-F135 HydrophobicContact CB-CZ 4.16Å
130K96.4Very high96.1Very high60 Ų6035.7 Ų35.726%0.26120%0.201SC..  trans-58.8151.6168.964.2-171.5-179.2-163.80111.6S102 N103 C104 D105 T132 C133S102-K130 PolarHBondContact O-N 2.85Å; S102-K130 VanDerWaalsContact O-N 3.16Å; N103-K130 PolarHBondContact O-NZ 2.87Å; N103-K130 PolarHBondContact OD1-NZ 2.71Å; C104-K130 VanDerWaalsContact O-CE 3.26Å; C104-K130 WeakPolarHBondContact O-CE 3.36Å; D105-K130 VanDerWaalsContact OD1-CE 3.3Å; D105-K130 WeakPolarHBondContact OD1-CE 3.46Å; D105-K130 IonicContact OD1-NZ 2.62Å; D105-K130 PolarHBondContact OD1-NZ 2.98Å; K130-T132 PolarHBondContact O-N 3.15Å; K130-T132 VanDerWaalsContact O-N 3.14Å; K130-C133 HydrophobicContact CG-CB 4.16Å; K130-C133 WeakPolarHBondContact O-CB 3.47Å; K130-C133 PolarHBondContact O-N 2.77Å
131S95Very high95.2Very high108 Ų10830.3 Ų30.376%0.75518%0.178SC*.THydrogen-bonded Turntrans-63.8-19.6-175.756.40000114.7C133S131-C133 VanDerWaalsContact C-N 3.34Å
132T96.3Very high94.7Very high53 Ų5330.9 Ų30.933%0.32518%0.181SC..THydrogen-bonded Turntrans-87.5-2.3176.2610000113.3Y25 K130 I134Y25-T132 HydrophobicContact CE1-CG2 4.37Å; K130-T132 PolarHBondContact O-N 3.15Å; K130-T132 VanDerWaalsContact O-N 3.14Å; T132-I134 PolarHBondContact O-N 3.41Å
133C98.4Very high94.3Very high1 Ų134.1 Ų34.11%0.00720%0.199CC..  trans-68.7127.7-178.6-174.40000110.8C104 D105 C129 K130 S131 F135C104-C133 PolarHBondContact O-SG 2.76Å; C104-C133 VanDerWaalsContact O-SG 3.35Å; D105-C133 WeakPolarHBondContact O-CA 3.46Å; C129-C133 HydrophobicContact CB-CB 3.85Å; K130-C133 HydrophobicContact CG-CB 4.16Å; K130-C133 WeakPolarHBondContact O-CB 3.47Å; K130-C133 PolarHBondContact O-N 2.77Å; S131-C133 VanDerWaalsContact C-N 3.34Å; C133-F135 HydrophobicContact CB-CE1 4.26Å
134I98.7Very high94.1Very high0 Ų032.7 Ų32.70%019%0.187CC..EExtended strand (participates in β ladder)trans-86.7135.4174.1-59-51.3000109.9D105 L106 I107 T132 N156 V158 A184 T187D105-I134 PolarHBondContact O-N 3.4Å; L106-I134 WeakPolarHBondContact CA-O 3.3Å; L106-I134 HydrophobicContact CD1-CB 3.97Å; L106-I134 HydrophobicContact CD1-CG2 3.88Å; I107-I134 PolarHBondContact N-O 2.91Å; T132-I134 PolarHBondContact O-N 3.41Å; I134-N156 HydrophobicContact CD1-CB 4.08Å; I134-V158 HydrophobicContact CG2-CG1 3.72Å; I134-A184 HydrophobicContact CD1-CB 3.83Å; I134-A184 HydrophobicContact CG2-CB 4.29Å; I134-T187 HydrophobicContact CG1-CG2 3.78Å
135F98.7Very high94Very high8 Ų831.2 Ų31.24%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-104.6108.5177.9-62.6-36.8000110.1I107 F122 L125 E126 C129 C133 L151 N156 L157 V158I107-F135 HydrophobicContact CB-CD1 4.27Å; I107-F135 HydrophobicContact CD1-CE1 4.4Å; F122-F135 HydrophobicContact CD1-CB 3.89Å; F122-F135 HydrophobicContact CD1-CG 4.12Å; F122-F135 HydrophobicContact CE1-CB 3.76Å; F122-F135 HydrophobicContact CE1-CG 4.38Å; L125-F135 HydrophobicContact CB-CE1 4.08Å; L125-F135 HydrophobicContact CB-CZ 4.2Å; E126-F135 HydrophobicContact CB-CE2 4.13Å; E126-F135 HydrophobicContact CB-CZ 4.46Å; E126-F135 HydrophobicContact CG-CE2 4.31Å; C129-F135 HydrophobicContact CB-CE1 4.12Å; C129-F135 HydrophobicContact CB-CZ 4.16Å; C133-F135 HydrophobicContact CB-CE1 4.26Å; F135-L151 HydrophobicContact CD2-CD1 4.21Å; F135-L151 HydrophobicContact CD2-CD2 4.42Å; F135-L151 HydrophobicContact CE2-CD2 4.38Å; F135-N156 PolarHBondContact N-O 3.36Å; F135-L157 HydrophobicContact CB-CD1 3.7Å; F135-L157 CarbonylContact O-C 3.19Å; F135-L157 VanDerWaalsContact O-CA 3.3Å; F135-L157 WeakPolarHBondContact O-CA 3.41Å; F135-L157 WeakPolarHBondContact O-CD1 3.31Å; F135-V158 PolarHBondContact O-N 3.14Å
136G98.4Very high93.9Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-91.4138.8172.300000112.1I107 V108 E109 V158I107-G136 WeakPolarHBondContact O-CA 3.25Å; I107-G136 PolarHBondContact O-N 2.76Å; V108-G136 CarbonylContact C-O 3.57Å; V108-G136 WeakPolarHBondContact CA-O 3.21Å; E109-G136 PolarHBondContact N-O 2.55Å; G136-V158 CarbonylContact C-O 3.53Å; G136-V158 WeakPolarHBondContact CA-O 3.45Å
137T97.6Very high93.9Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-118.4130163.8178.90000110.9E109 T139 I147 V158 G159 I160E109-T137 PolarHBondContact OE2-OG1 3.02Å; T137-T139 HydrophobicContact CG2-CG2 3.97Å; T137-T139 PolarHBondContact O-N 3.32Å; T137-T139 PolarHBondContact OG1-N 3.39Å; T137-I147 HydrophobicContact CG2-CD1 4.16Å; T137-V158 PolarHBondContact N-O 2.71Å; T137-G159 CarbonylContact O-C 3.55Å; T137-G159 WeakPolarHBondContact O-CA 3.5Å; T137-I160 PolarHBondContact O-N 2.85Å
138N94.7Very high94Very high10 Ų1029.1 Ų29.15%0.05317%0.166CC..  trans-89.932.8172.1-172.682.1000110.9M42 V108 E109 I160 F162M42-N138 HydrophobicContact CE-CB 3.94Å; M42-N138 HydrophobicContact SD-CB 4.31Å; V108-N138 HydrophobicContact CG1-CB 4.41Å; E109-N138 WeakPolarHBondContact O-CB 3.42Å; E109-N138 PolarHBondContact O-N 3.24Å; N138-I160 WeakPolarHBondContact CA-O 3.34Å; N138-I160 PolarHBondContact OD1-O 3.3Å; N138-I160 VanDerWaalsContact OD1-O 3.09Å; N138-F162 PolarHBondContact OD1-N 3.18Å
139T89.3Confident94Very high1 Ų130.8 Ų30.81%0.00618%0.182CC..  trans-64.4144.5172-171.70000110.1E113 T137 S141 L142 I147 F208E113-T139 VanDerWaalsContact CD-OG1 3.31Å; E113-T139 VanDerWaalsContact OE1-CA 3.31Å; E113-T139 WeakPolarHBondContact OE1-CA 3.31Å; E113-T139 PolarHBondContact OE1-OG1 2.98Å; E113-T139 PolarHBondContact OE2-OG1 3.41Å; T137-T139 HydrophobicContact CG2-CG2 3.97Å; T137-T139 PolarHBondContact O-N 3.32Å; T137-T139 PolarHBondContact OG1-N 3.39Å; T139-S141 PolarHBondContact OG1-N 2.96Å; T139-L142 HydrophobicContact CG2-CB 4.29Å; T139-L142 VanDerWaalsContact OG1-CB 3.27Å; T139-L142 WeakPolarHBondContact OG1-CB 3.33Å; T139-L142 WeakPolarHBondContact OG1-CG 3.36Å; T139-L142 PolarHBondContact OG1-N 2.84Å; T139-L142 VanDerWaalsContact OG1-N 3.07Å; T139-I147 HydrophobicContact CG2-CD1 4.22Å; T139-F208 HydrophobicContact CG2-CZ 4.36Å; T139-F208 VanDerWaalsContact O-CE2 3.3Å; T139-F208 WeakPolarHBondContact O-CE2 3.46Å
140S82.3Confident94Very high41 Ų4132.9 Ų32.929%0.28719%0.193SC..SBendtrans-107.8-12175.6-600000112.6E113 H161E113-S140 PolarHBondContact OE1-N 3.32Å; S140-H161 PolarHBondContact OG-CD2 2.74Å; S140-H161 PolarHBondContact OG-NE2 3.16Å
141S78.4Confident94.1Very high26 Ų2630.7 Ų30.718%0.18218%0.184CC..SBendtrans-138.5-18.7-172.161.10000115.7T139T139-S141 PolarHBondContact OG1-N 2.96Å
142L87.4Confident94.2Very high32 Ų3233.9 Ų33.917%0.16818%0.18CC..SBendtrans-87.3148.8-175.1-57.9177.7000111.9E113 M115 K118 T139 L144 I147E113-L142 WeakPolarHBondContact OE2-CD1 3.32Å; M115-L142 HydrophobicContact CE-CB 3.85Å; M115-L142 HydrophobicContact CE-CD1 4.38Å; M115-L142 HydrophobicContact CE-CD2 4.27Å; M115-L142 HydrophobicContact CE-CG 4.4Å; K118-L142 HydrophobicContact CD-CD1 3.58Å; T139-L142 HydrophobicContact CG2-CB 4.29Å; T139-L142 VanDerWaalsContact OG1-CB 3.27Å; T139-L142 WeakPolarHBondContact OG1-CB 3.33Å; T139-L142 WeakPolarHBondContact OG1-CG 3.36Å; T139-L142 PolarHBondContact OG1-N 2.84Å; T139-L142 VanDerWaalsContact OG1-N 3.07Å; L142-L144 PolarHBondContact O-N 2.81Å; L142-I147 HydrophobicContact CB-CD1 4.26Å
143D90.4Very high94.2Very high68 Ų6834.6 Ų34.636%0.36418%0.182SC..  trans-70.4121.1175.6-170.4-28.8000110.5N145 E146 I147 N204D143-N145 VanDerWaalsContact C-N 3.3Å; D143-N145 PolarHBondContact O-N 3.48Å; D143-N145 VanDerWaalsContact OD1-CB 3.27Å; D143-N145 WeakPolarHBondContact OD1-CB 3.37Å; D143-N145 PolarHBondContact OD1-N 3.11Å; D143-N145 PolarHBondContact OD1-ND2 2.97Å; D143-E146 HydrophobicContact CB-CB 4.15Å; D143-E146 HydrophobicContact CB-CG 3.93Å; D143-E146 WeakPolarHBondContact O-CB 3.39Å; D143-E146 PolarHBondContact O-N 3.11Å; D143-I147 PolarHBondContact O-N 3.48Å; D143-N204 PolarHBondContact OD1-ND2 3.32Å
144L94.1Very high94.2Very high1 Ų136 Ų361%0.00519%0.191CC..Hα-helixtrans-62.9-36.4178.3-168.7153.7000112.6L142 E146 I147 S148 L157 I175 N204L142-L144 PolarHBondContact O-N 2.81Å; L144-E146 VanDerWaalsContact C-N 3.28Å; L144-E146 PolarHBondContact O-N 2.99Å; L144-I147 PolarHBondContact O-N 2.86Å; L144-I147 VanDerWaalsContact O-N 3.17Å; L144-S148 PolarHBondContact O-N 2.9Å; L144-S148 PolarHBondContact O-OG 3.32Å; L144-L157 HydrophobicContact CD2-CD2 3.88Å; L144-L157 HydrophobicContact CD2-CG 4.32Å; L144-L157 HydrophobicContact CG-CD2 4.05Å; L144-I175 HydrophobicContact CD1-CB 4.46Å; L144-I175 HydrophobicContact CD1-CG2 4.25Å; L144-I175 WeakPolarHBondContact CD1-O 3.5Å; L144-N204 PolarHBondContact N-ND2 3.37Å
145N94.8Very high94.1Very high49 Ų4937.3 Ų37.326%0.26220%0.2SC..Hα-helixtrans-63-40.5179.6-60.1-54.6000110.6D143 S148 S149 S178 N204D143-N145 VanDerWaalsContact C-N 3.3Å; D143-N145 PolarHBondContact O-N 3.48Å; D143-N145 VanDerWaalsContact OD1-CB 3.27Å; D143-N145 WeakPolarHBondContact OD1-CB 3.37Å; D143-N145 PolarHBondContact OD1-N 3.11Å; D143-N145 PolarHBondContact OD1-ND2 2.97Å; N145-S148 WeakPolarHBondContact CA-OG 3.41Å; N145-S148 PolarHBondContact O-N 3.29Å; N145-S148 PolarHBondContact O-OG 3.04Å; N145-S149 PolarHBondContact O-N 3.26Å; N145-S178 WeakPolarHBondContact OD1-CB 3.35Å; N145-S178 PolarHBondContact OD1-N 3.31Å; N145-S178 PolarHBondContact OD1-OG 2.83Å; N145-N204 PolarHBondContact ND2-ND2 2.75Å
146E95.3Very high94.1Very high93 Ų9337.8 Ų37.844%0.43520%0.203SC..Hα-helixtrans-59-50.1173.6-74.9-64.7156.200110.4M115 K119 D143 L144 S148 S149M115-E146 HydrophobicContact CE-CB 3.47Å; M115-E146 VanDerWaalsContact CE-CB 3.47Å; M115-E146 HydrophobicContact CE-CG 4.28Å; M115-E146 HydrophobicContact SD-CB 3.83Å; K119-E146 VanDerWaalsContact CE-C 3.45Å; K119-E146 WeakPolarHBondContact CE-O 3.5Å; K119-E146 PolarHBondContact NZ-O 3.3Å; K119-E146 IonicContact NZ-OE2 2.58Å; K119-E146 PolarHBondContact NZ-OE2 3.16Å; D143-E146 HydrophobicContact CB-CB 4.15Å; D143-E146 HydrophobicContact CB-CG 3.93Å; D143-E146 WeakPolarHBondContact O-CB 3.39Å; D143-E146 PolarHBondContact O-N 3.11Å; L144-E146 VanDerWaalsContact C-N 3.28Å; L144-E146 PolarHBondContact O-N 2.99Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 3.46Å; E146-S149 WeakPolarHBondContact O-CB 3.44Å; E146-S149 PolarHBondContact O-N 3.32Å; E146-S149 PolarHBondContact O-OG 2.85Å
147I96.6Very high94.1Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-59-42.8178.6-59171.1000111M115 K118 F122 T137 T139 L142 D143 L144 S149 V150 L157M115-I147 HydrophobicContact CE-CG1 4.05Å; M115-I147 HydrophobicContact SD-CG1 3.7Å; K118-I147 HydrophobicContact CD-CD1 4.15Å; F122-I147 HydrophobicContact CD2-CG2 3.29Å; F122-I147 HydrophobicContact CE2-CG2 3.52Å; F122-I147 HydrophobicContact CG-CG2 4.32Å; T137-I147 HydrophobicContact CG2-CD1 4.16Å; T139-I147 HydrophobicContact CG2-CD1 4.22Å; L142-I147 HydrophobicContact CB-CD1 4.26Å; D143-I147 PolarHBondContact O-N 3.48Å; L144-I147 PolarHBondContact O-N 2.86Å; L144-I147 VanDerWaalsContact O-N 3.17Å; I147-S149 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.12Å; I147-V150 WeakPolarHBondContact O-CG2 3.33Å; I147-L157 HydrophobicContact CB-CD2 3.92Å; I147-L157 HydrophobicContact CG2-CD1 4.47Å; I147-L157 HydrophobicContact CG2-CD2 3.74Å
148S96.9Very high94.1Very high5 Ų537.8 Ų37.84%0.03520%0.203CC..Hα-helixtrans-68.3-24.3-179.568.80000114.1L144 N145 E146 V150 L151L144-S148 PolarHBondContact O-N 2.9Å; L144-S148 PolarHBondContact O-OG 3.32Å; N145-S148 WeakPolarHBondContact CA-OG 3.41Å; N145-S148 PolarHBondContact O-N 3.29Å; N145-S148 PolarHBondContact O-OG 3.04Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 3.46Å; S148-V150 PolarHBondContact O-N 3.37Å; S148-L151 WeakPolarHBondContact O-CB 3.27Å; S148-L151 PolarHBondContact O-N 3.36Å
149S97.6Very high94.3Very high75 Ų7537.3 Ų37.352%0.52420%0.2SC..THydrogen-bonded Turntrans-61.5-14.3-172.267.80000115.5K119 N145 E146 I147K119-S149 PolarHBondContact NZ-OG 3.44Å; N145-S149 PolarHBondContact O-N 3.26Å; E146-S149 WeakPolarHBondContact O-CB 3.44Å; E146-S149 PolarHBondContact O-N 3.32Å; E146-S149 PolarHBondContact O-OG 2.85Å; I147-S149 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.12Å
150V97.6Very high94.6Very high59 Ų5937.3 Ų37.336%0.35820%0.201SC..THydrogen-bonded Turntrans-99.4-6.1179.6-58.40000113.6K119 A123 I147 S148K119-V150 HydrophobicContact CB-CG1 4.02Å; K119-V150 HydrophobicContact CB-CG2 3.9Å; K119-V150 HydrophobicContact CD-CG1 3.76Å; K119-V150 HydrophobicContact CG-CG1 3.84Å; K119-V150 HydrophobicContact CG-CG2 4.02Å; K119-V150 WeakPolarHBondContact O-CG2 3.3Å; A123-V150 HydrophobicContact CB-CG2 4.3Å; I147-V150 WeakPolarHBondContact O-CG2 3.33Å; S148-V150 PolarHBondContact O-N 3.37Å
151L97.7Very high95.2Very high14 Ų1435.8 Ų35.87%0.07319%0.189CC..  trans-82.9146.8175.6-66.4173.8000110.2F122 E126 F135 S148 P154 L157F122-L151 HydrophobicContact CB-CD2 4.07Å; F122-L151 WeakPolarHBondContact O-CD2 3.31Å; E126-L151 HydrophobicContact CB-CD2 3.86Å; E126-L151 HydrophobicContact CG-CD2 4.17Å; F135-L151 HydrophobicContact CD2-CD1 4.21Å; F135-L151 HydrophobicContact CD2-CD2 4.42Å; F135-L151 HydrophobicContact CE2-CD2 4.38Å; S148-L151 WeakPolarHBondContact O-CB 3.27Å; S148-L151 PolarHBondContact O-N 3.36Å; L151-P154 HydrophobicContact CB-CB 4.49Å; L151-L157 HydrophobicContact CD1-CB 3.94Å; L151-L157 HydrophobicContact CD1-CD1 4.33Å
152R97.2Very high95.8Very high175 Ų17534.8 Ų34.866%0.6618%0.181SC*.SBendtrans-73.1-39.9170-68.4170.2-70.3-175.2-4.7110.5E126 N127 P154E126-R152 PolarHBondContact OE1-N 3.29Å; E126-R152 WeakPolarHBondContact OE2-CB 3.48Å; E126-R152 IonicContact OE2-CZ 2.73Å; E126-R152 PolarHBondContact OE2-N 3.49Å; E126-R152 VanDerWaalsContact OE2-N 3.14Å; E126-R152 IonicContact OE2-NE 3.48Å; E126-R152 PolarHBondContact OE2-NE 3.1Å; E126-R152 IonicContact OE2-NH2 2.85Å; E126-R152 PolarHBondContact OE2-NH2 3.22Å; N127-R152 PolarHBondContact OD1-NH2 3.13Å; R152-P154 WeakPolarHBondContact O-CD 3.45Å
153D96.9Very high95.7Very high69 Ų6933.9 Ų33.937%0.36918%0.176SC..SBendtrans-112.587.4169.7-174.82000110E126 S155 N156E126-D153 PolarHBondContact OE1-N 2.95Å; D153-S155 PolarHBondContact O-N 3.28Å; D153-S155 VanDerWaalsContact OD1-CB 3.23Å; D153-S155 WeakPolarHBondContact OD1-CB 3.29Å; D153-S155 PolarHBondContact OD1-N 2.9Å; D153-S155 PolarHBondContact OD1-OG 2.97Å; D153-N156 PolarHBondContact OD2-ND2 3.36Å
154P97.6Very high95.3Very high29 Ų2934.7 Ų34.719%0.18818%0.18CC..G310 helixtrans-69.6-9.8178.929.9-36000112.9L151 R152 N156 L157 H179L151-P154 HydrophobicContact CB-CB 4.49Å; R152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-N156 VanDerWaalsContact C-N 3.25Å; P154-N156 PolarHBondContact O-N 3.49Å; P154-L157 PolarHBondContact O-N 2.95Å; P154-H179 HydrophobicContact CB-CB 4.18Å; P154-H179 HydrophobicContact CG-CB 4.03Å
155S97.9Very high94.6Very high29 Ų2936.2 Ų36.220%0.20319%0.19CC..G310 helixtrans-71.6-21.7-172.280.30000113.3D153 L157 H179 T180 S181D153-S155 PolarHBondContact O-N 3.28Å; D153-S155 VanDerWaalsContact OD1-CB 3.23Å; D153-S155 WeakPolarHBondContact OD1-CB 3.29Å; D153-S155 PolarHBondContact OD1-N 2.9Å; D153-S155 PolarHBondContact OD1-OG 2.97Å; S155-L157 VanDerWaalsContact C-N 3.33Å; S155-H179 VanDerWaalsContact CA-O 3.22Å; S155-H179 WeakPolarHBondContact CA-O 3.36Å; S155-H179 VanDerWaalsContact CB-O 3.32Å; S155-H179 WeakPolarHBondContact CB-O 3.33Å; S155-T180 WeakPolarHBondContact O-CA 3.37Å; S155-S181 PolarHBondContact O-N 3.14Å; S155-S181 PolarHBondContact O-OG 2.98Å
156N97.5Very high94.1Very high17 Ų1734 Ų349%0.09118%0.178CC..G310 helixtrans-86.3-1.5177.6-56.9-40.4000113.4I134 F135 D153 P154I134-N156 HydrophobicContact CD1-CB 4.08Å; F135-N156 PolarHBondContact N-O 3.36Å; D153-N156 PolarHBondContact OD2-ND2 3.36Å; P154-N156 VanDerWaalsContact C-N 3.25Å; P154-N156 PolarHBondContact O-N 3.49Å
157L98.6Very high93.3Very high0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-87.1128.2174.7-167.481.3000111.4F122 F135 L144 I147 L151 P154 S155 T180F122-L157 HydrophobicContact CD1-CD1 3.92Å; F122-L157 HydrophobicContact CD2-CD1 4.23Å; F122-L157 HydrophobicContact CE1-CD1 3.74Å; F122-L157 HydrophobicContact CE2-CD1 4.06Å; F122-L157 HydrophobicContact CG-CD1 4.16Å; F122-L157 HydrophobicContact CZ-CD1 3.8Å; F135-L157 HydrophobicContact CB-CD1 3.7Å; F135-L157 CarbonylContact O-C 3.19Å; F135-L157 VanDerWaalsContact O-CA 3.3Å; F135-L157 WeakPolarHBondContact O-CA 3.41Å; F135-L157 WeakPolarHBondContact O-CD1 3.31Å; L144-L157 HydrophobicContact CD2-CD2 3.88Å; L144-L157 HydrophobicContact CD2-CG 4.32Å; L144-L157 HydrophobicContact CG-CD2 4.05Å; I147-L157 HydrophobicContact CB-CD2 3.92Å; I147-L157 HydrophobicContact CG2-CD1 4.47Å; I147-L157 HydrophobicContact CG2-CD2 3.74Å; L151-L157 HydrophobicContact CD1-CB 3.94Å; L151-L157 HydrophobicContact CD1-CD1 4.33Å; P154-L157 PolarHBondContact O-N 2.95Å; S155-L157 VanDerWaalsContact C-N 3.33Å; L157-T180 WeakPolarHBondContact O-CB 3.45Å; L157-T180 WeakPolarHBondContact O-CG2 3.3Å; L157-T180 PolarHBondContact O-OG1 3.48Å
158V98.3Very high92.5Very high0 Ų034.2 Ų34.20%019%0.185CC..EExtended strand (participates in β ladder)trans-138.1149.6177.563.10000110.1I134 F135 G136 T137 I160 I174 I175 T180 I185 A188I134-V158 HydrophobicContact CG2-CG1 3.72Å; F135-V158 PolarHBondContact O-N 3.14Å; G136-V158 CarbonylContact C-O 3.53Å; G136-V158 WeakPolarHBondContact CA-O 3.45Å; T137-V158 PolarHBondContact N-O 2.71Å; V158-I160 HydrophobicContact CG1-CD1 4.08Å; V158-I160 HydrophobicContact CG1-CG1 3.98Å; V158-I174 HydrophobicContact CG2-CG2 3.7Å; V158-I175 WeakPolarHBondContact CG2-O 3.43Å; V158-T180 HydrophobicContact CB-CG2 4.02Å; V158-T180 HydrophobicContact CG2-CG2 4.24Å; V158-I185 HydrophobicContact CG2-CD1 3.66Å; V158-A188 HydrophobicContact CG1-CB 4.19Å
159G97.3Very high91.9Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-87.2134.4172.100000109T137 I174 I175T137-G159 CarbonylContact O-C 3.55Å; T137-G159 WeakPolarHBondContact O-CA 3.5Å; G159-I174 CarbonylContact O-C 3.31Å; G159-I174 WeakPolarHBondContact O-CA 3.4Å; G159-I175 PolarHBondContact N-O 2.94Å; G159-I175 PolarHBondContact O-N 3.47Å
160I97.2Very high91.6Very high2 Ų237.2 Ų37.21%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-130.786.6178.9-51.2-177.4000106.9L106 V108 T137 N138 V158 F162 V172 I174 A188L106-I160 HydrophobicContact CD1-CD1 3.92Å; L106-I160 HydrophobicContact CD2-CD1 4.48Å; V108-I160 HydrophobicContact CG1-CB 4.41Å; V108-I160 HydrophobicContact CG2-CD1 4.16Å; T137-I160 PolarHBondContact O-N 2.85Å; N138-I160 WeakPolarHBondContact CA-O 3.34Å; N138-I160 PolarHBondContact OD1-O 3.3Å; N138-I160 VanDerWaalsContact OD1-O 3.09Å; V158-I160 HydrophobicContact CG1-CD1 4.08Å; V158-I160 HydrophobicContact CG1-CG1 3.98Å; I160-F162 HydrophobicContact CG2-CD2 3.97Å; I160-F162 HydrophobicContact CG2-CE2 3.55Å; I160-V172 HydrophobicContact CG2-CG1 3.63Å; I160-I174 HydrophobicContact CG1-CD1 4.33Å; I160-I174 HydrophobicContact CG2-CD1 4.04Å; I160-A188 HydrophobicContact CD1-CB 4.13Å
161H93.8Very high91.2Very high9 Ų934.4 Ų34.44%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-94.6106.1-173.2176.9-136.9000110.6S140 F163 V172 E173 I175S140-H161 PolarHBondContact OG-CD2 2.74Å; S140-H161 PolarHBondContact OG-NE2 3.16Å; H161-F163 AromaticContact CE1-CZ 3.98Å; H161-F163 AromaticContact ND1-CZ 3.86Å; H161-V172 WeakPolarHBondContact O-CA 3.28Å; H161-E173 HydrophobicContact CB-CB 4.09Å; H161-E173 IonicContact CE1-OE2 3.74Å; H161-E173 IonicContact CG-OE2 3.72Å; H161-E173 PolarHBondContact N-O 3.18Å; H161-E173 IonicContact ND1-OE2 2.89Å; H161-E173 PolarHBondContact ND1-OE2 3.02Å; H161-E173 PolarHBondContact O-N 3.36Å; H161-I175 HydrophobicContact CB-CD1 3.79Å
162F92.1Very high91Very high4 Ų433.7 Ų33.72%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-84.4150.7173.8-81.1-110.9000111.4M42 F46 N138 I160 A166 V172 I195 K197M42-F162 HydrophobicContact CG-CB 4.18Å; M42-F162 HydrophobicContact CG-CD1 3.86Å; M42-F162 HydrophobicContact CG-CD2 3.79Å; M42-F162 HydrophobicContact CG-CE1 4.1Å; M42-F162 HydrophobicContact CG-CE2 4.02Å; M42-F162 HydrophobicContact CG-CG 3.69Å; M42-F162 HydrophobicContact CG-CZ 4.18Å; M42-F162 HydrophobicContact SD-CB 4.22Å; M42-F162 HydrophobicContact SD-CD1 4.49Å; M42-F162 HydrophobicContact SD-CD2 3.31Å; M42-F162 WeakPolarHBondContact SD-CD2 3.39Å; M42-F162 HydrophobicContact SD-CE2 3.64Å; M42-F162 HydrophobicContact SD-CG 3.79Å; M42-F162 HydrophobicContact SD-CZ 4.36Å; F46-F162 HydrophobicContact CE2-CZ 4.21Å; N138-F162 PolarHBondContact OD1-N 3.18Å; I160-F162 HydrophobicContact CG2-CD2 3.97Å; I160-F162 HydrophobicContact CG2-CE2 3.55Å; F162-A166 HydrophobicContact CD1-CB 4.09Å; F162-V172 HydrophobicContact CD1-CG2 3.96Å; F162-V172 HydrophobicContact CD2-CG1 4.11Å; F162-V172 HydrophobicContact CD2-CG2 4.27Å; F162-V172 HydrophobicContact CE1-CG2 3.94Å; F162-V172 HydrophobicContact CE2-CG1 4.15Å; F162-V172 HydrophobicContact CE2-CG2 4.25Å; F162-V172 HydrophobicContact CG-CG2 4.15Å; F162-V172 HydrophobicContact CZ-CG2 4.09Å; F162-I195 HydrophobicContact CE1-CD1 4.03Å; F162-I195 HydrophobicContact CZ-CD1 3.82Å; F162-K197 HydrophobicContact CE1-CD 4.21Å; F162-K197 HydrophobicContact CE1-CG 4.09Å
163F85.2Confident90.8Very high14 Ų1425.4 Ų25.46%0.06113%0.134CC..PPolyproline II helixtrans-103.8132179.7-69.9-90.8000112H161 P165 A166 I169 L171 E173 F210H161-F163 AromaticContact CE1-CZ 3.98Å; H161-F163 AromaticContact ND1-CZ 3.86Å; F163-P165 CarbonylContact O-C 3.58Å; F163-A166 WeakPolarHBondContact O-CA 3.28Å; F163-A166 PolarHBondContact O-N 3.45Å; F163-I169 HydrophobicContact CB-CB 3.93Å; F163-I169 HydrophobicContact CB-CG1 4.34Å; F163-I169 HydrophobicContact CB-CG2 3.51Å; F163-I169 HydrophobicContact CG-CG2 4.23Å; F163-L171 HydrophobicContact CD2-CB 4.14Å; F163-L171 HydrophobicContact CD2-CD2 3.99Å; F163-L171 HydrophobicContact CD2-CG 3.98Å; F163-L171 WeakPolarHBondContact CD2-O 3.45Å; F163-L171 HydrophobicContact CE2-CB 4.43Å; F163-L171 HydrophobicContact CE2-CD2 3.61Å; F163-L171 HydrophobicContact CE2-CG 3.76Å; F163-L171 HydrophobicContact CZ-CD2 3.93Å; F163-E173 HydrophobicContact CE2-CB 4.46Å; F163-E173 HydrophobicContact CE2-CG 3.97Å; F163-E173 HydrophobicContact CZ-CG 3.97Å; F163-F210 HydrophobicContact CD1-CD1 4.26Å; F163-F210 HydrophobicContact CD1-CE1 4.15Å; F163-F210 HydrophobicContact CD1-CE2 4.48Å; F163-F210 HydrophobicContact CD1-CG 4.43Å; F163-F210 HydrophobicContact CD1-CZ 4.27Å; F163-F210 HydrophobicContact CE1-CB 3.83Å; F163-F210 AromaticContact CE1-CD1 3.41Å; F163-F210 HydrophobicContact CE1-CD1 3.41Å; F163-F210 VanDerWaalsContact CE1-CD1 3.41Å; F163-F210 AromaticContact CE1-CD2 3.75Å; F163-F210 HydrophobicContact CE1-CD2 3.75Å; F163-F210 AromaticContact CE1-CE1 3.75Å; F163-F210 HydrophobicContact CE1-CE1 3.75Å; F163-F210 HydrophobicContact CE1-CE2 4.07Å; F163-F210 AromaticContact CE1-CG 3.38Å; F163-F210 HydrophobicContact CE1-CG 3.38Å; F163-F210 HydrophobicContact CE1-CZ 4.07Å; F163-F210 HydrophobicContact CZ-CB 3.78Å; F163-F210 HydrophobicContact CZ-CD1 4.25Å; F163-F210 HydrophobicContact CZ-CD2 4.12Å; F163-F210 AromaticContact CZ-CG 3.8Å; F163-F210 HydrophobicContact CZ-CG 3.8Å
164N80.5Confident90.8Very high84 Ų8422.1 Ų22.145%0.44912%0.117SC..SBendtrans-76.3136174.7-169.144.4000111.3M38M38-N164 HydrophobicContact CE-CB 3.31Å; M38-N164 WeakPolarHBondContact CE-OD1 3.47Å; M38-N164 HydrophobicContact SD-CB 4.09Å
165P79.8Confident90.7Very high33 Ų3320.7 Ų20.721%0.21411%0.108CC..SBendcis-78.2122.5-9.228.3-28.7000112.3F163 N167 V168 I169F163-P165 CarbonylContact O-C 3.58Å; P165-N167 PolarHBondContact O-N 2.8Å; P165-N167 VanDerWaalsContact O-N 3.08Å; P165-V168 HydrophobicContact CB-CG2 4.37Å; P165-V168 HydrophobicContact CG-CB 4.03Å; P165-V168 HydrophobicContact CG-CG2 3.87Å; P165-V168 PolarHBondContact O-N 2.88Å; P165-I169 PolarHBondContact O-N 3.17Å
166A85.4Confident90.5Very high2 Ų220.8 Ų20.82%0.01710%0.104CC..THydrogen-bonded Turntrans-64.5-20.3-172.100000113.3A41 F162 F163 V168 K197A41-A166 HydrophobicContact CB-CB 3.79Å; F162-A166 HydrophobicContact CD1-CB 4.09Å; F163-A166 WeakPolarHBondContact O-CA 3.28Å; F163-A166 PolarHBondContact O-N 3.45Å; A166-V168 PolarHBondContact O-N 3.34Å; A166-K197 WeakPolarHBondContact O-CE 3.39Å; A166-K197 PolarHBondContact O-NZ 3.47Å
167N76.8Confident90.4Very high28 Ų2820 Ų2015%0.1510%0.1CC..THydrogen-bonded Turntrans-76.8-12.2174.9-61-37.1000113.7I44 E74 P165I44-N167 VanDerWaalsContact CG2-OD1 3.3Å; I44-N167 WeakPolarHBondContact CG2-OD1 3.46Å; E74-N167 PolarHBondContact OE2-ND2 3.29Å; E74-N167 VanDerWaalsContact OE2-ND2 3.11Å; P165-N167 PolarHBondContact O-N 2.8Å; P165-N167 VanDerWaalsContact O-N 3.08Å
168V80.4Confident90.2Very high70 Ų7023 Ų2342%0.42412%0.121SC..THydrogen-bonded Turntrans-109.6-51.8-177.9-175.60000110.3R79 P165 A166 R170R79-V168 VanDerWaalsContact CD-CG2 3.44Å; R79-V168 HydrophobicContact CG-CG2 3.95Å; R79-V168 VanDerWaalsContact NE-CG2 3.26Å; P165-V168 HydrophobicContact CB-CG2 4.37Å; P165-V168 HydrophobicContact CG-CB 4.03Å; P165-V168 HydrophobicContact CG-CG2 3.87Å; P165-V168 PolarHBondContact O-N 2.88Å; A166-V168 PolarHBondContact O-N 3.34Å; V168-R170 PolarHBondContact O-N 3.41Å
169I85.5Confident90.1Very high30 Ų3028.6 Ų28.615%0.15415%0.147CC..  trans-73.9122.1-176.4-53.2-55.6000108.5F163 P165 L171 K197 L364F163-I169 HydrophobicContact CB-CB 3.93Å; F163-I169 HydrophobicContact CB-CG1 4.34Å; F163-I169 HydrophobicContact CB-CG2 3.51Å; F163-I169 HydrophobicContact CG-CG2 4.23Å; P165-I169 PolarHBondContact O-N 3.17Å; I169-L171 HydrophobicContact CG2-CB 4.05Å; I169-K197 PolarHBondContact O-NZ 3.01Å; I169-L364 WeakPolarHBondContact CG2-O 3.45Å
170R89.6Confident90.1Very high113 Ų11328.8 Ų28.843%0.42615%0.148SC..  trans-84.1-24.4-179.2-69-175.966.4-156.4-5.1112.8V168 K196 K197 L198V168-R170 PolarHBondContact O-N 3.41Å; R170-K196 PolarHBondContact NE-O 3Å; R170-K196 PolarHBondContact NH2-O 2.97Å; R170-K197 CarbonylContact O-C 3.54Å; R170-K197 VanDerWaalsContact O-CA 3.3Å; R170-K197 WeakPolarHBondContact O-CA 3.31Å; R170-K197 WeakPolarHBondContact O-CB 3.23Å; R170-K197 WeakPolarHBondContact O-CD 3.33Å; R170-L198 HydrophobicContact CB-CB 4.5Å; R170-L198 HydrophobicContact CB-CD1 4.12Å; R170-L198 HydrophobicContact CB-CG 4.15Å; R170-L198 PolarHBondContact O-N 3.1Å
171L90.5Very high90.2Very high0 Ų029.5 Ų29.50%015%0.153CC..EExtended strand (participates in β ladder)trans-61.6139.6-179.1-178.566.6000111.4F163 I169 V200 M361 L364F163-L171 HydrophobicContact CD2-CB 4.14Å; F163-L171 HydrophobicContact CD2-CD2 3.99Å; F163-L171 HydrophobicContact CD2-CG 3.98Å; F163-L171 WeakPolarHBondContact CD2-O 3.45Å; F163-L171 HydrophobicContact CE2-CB 4.43Å; F163-L171 HydrophobicContact CE2-CD2 3.61Å; F163-L171 HydrophobicContact CE2-CG 3.76Å; F163-L171 HydrophobicContact CZ-CD2 3.93Å; I169-L171 HydrophobicContact CG2-CB 4.05Å; L171-V200 HydrophobicContact CD1-CB 4.36Å; L171-V200 HydrophobicContact CD1-CG2 3.72Å; L171-M361 HydrophobicContact CD1-CB 4.39Å; L171-M361 HydrophobicContact CD1-CG 3.77Å; L171-M361 HydrophobicContact CD2-CB 3.83Å; L171-M361 HydrophobicContact CD2-CG 3.97Å; L171-M361 WeakPolarHBondContact CD2-O 3.44Å; L171-M361 HydrophobicContact CG-CG 4.49Å; L171-L364 HydrophobicContact CB-CB 4.13Å
172V93.5Very high90.4Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-137.1128.2166.3178.90000107.6I160 H161 F162 I174 K197 L198 P199 V200I160-V172 HydrophobicContact CG2-CG1 3.63Å; H161-V172 WeakPolarHBondContact O-CA 3.28Å; F162-V172 HydrophobicContact CD1-CG2 3.96Å; F162-V172 HydrophobicContact CD2-CG1 4.11Å; F162-V172 HydrophobicContact CD2-CG2 4.27Å; F162-V172 HydrophobicContact CE1-CG2 3.94Å; F162-V172 HydrophobicContact CE2-CG1 4.15Å; F162-V172 HydrophobicContact CE2-CG2 4.25Å; F162-V172 HydrophobicContact CG-CG2 4.15Å; F162-V172 HydrophobicContact CZ-CG2 4.09Å; V172-I174 HydrophobicContact CG1-CD1 3.91Å; V172-K197 HydrophobicContact CG2-CB 3.75Å; V172-K197 HydrophobicContact CG2-CD 3.85Å; V172-K197 HydrophobicContact CG2-CG 3.78Å; V172-L198 PolarHBondContact N-O 2.85Å; V172-P199 CarbonylContact O-C 3.53Å; V172-P199 VanDerWaalsContact O-CA 3.31Å; V172-P199 WeakPolarHBondContact O-CA 3.37Å; V172-V200 PolarHBondContact O-N 2.9Å
173E93.6Very high90.6Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-83.2121.4170.9-78.8174.6149.300108.7H161 F163 I175 V202 F210 M361H161-E173 HydrophobicContact CB-CB 4.09Å; H161-E173 IonicContact CE1-OE2 3.74Å; H161-E173 IonicContact CG-OE2 3.72Å; H161-E173 PolarHBondContact N-O 3.18Å; H161-E173 IonicContact ND1-OE2 2.89Å; H161-E173 PolarHBondContact ND1-OE2 3.02Å; H161-E173 PolarHBondContact O-N 3.36Å; F163-E173 HydrophobicContact CE2-CB 4.46Å; F163-E173 HydrophobicContact CE2-CG 3.97Å; F163-E173 HydrophobicContact CZ-CG 3.97Å; E173-I175 HydrophobicContact CB-CD1 4.47Å; E173-I175 HydrophobicContact CB-CG1 4.34Å; E173-V202 HydrophobicContact CB-CG2 4.02Å; E173-V202 HydrophobicContact CG-CG1 4.47Å; E173-V202 HydrophobicContact CG-CG2 4.24Å; E173-F210 VanDerWaalsContact OE1-CB 3.23Å; E173-F210 WeakPolarHBondContact OE1-CB 3.3Å; E173-F210 PolarHBondContact OE1-N 3.22Å; E173-M361 HydrophobicContact CG-SD 4.06Å
174I95.8Very high91.3Very high0 Ų032.3 Ų32.30%017%0.168CC..EExtended strand (participates in β ladder)trans-97.6112.3170.6-55.5-56.9000107.2V158 G159 I160 V172 I185 A188 F189 P199 V200 L201 V202V158-I174 HydrophobicContact CG2-CG2 3.7Å; G159-I174 CarbonylContact O-C 3.31Å; G159-I174 WeakPolarHBondContact O-CA 3.4Å; I160-I174 HydrophobicContact CG1-CD1 4.33Å; I160-I174 HydrophobicContact CG2-CD1 4.04Å; V172-I174 HydrophobicContact CG1-CD1 3.91Å; I174-I185 HydrophobicContact CG2-CD1 3.96Å; I174-I185 HydrophobicContact CG2-CG2 4.49Å; I174-A188 HydrophobicContact CD1-CB 4.17Å; I174-A188 HydrophobicContact CG2-CB 4.29Å; I174-F189 HydrophobicContact CB-CD2 4.21Å; I174-F189 HydrophobicContact CB-CE2 3.71Å; I174-F189 HydrophobicContact CG1-CD2 3.93Å; I174-F189 HydrophobicContact CG1-CE2 3.76Å; I174-F189 HydrophobicContact CG1-CZ 4.42Å; I174-F189 HydrophobicContact CG2-CD2 4.07Å; I174-F189 HydrophobicContact CG2-CE2 3.86Å; I174-P199 HydrophobicContact CD1-CB 4.23Å; I174-P199 HydrophobicContact CG1-CB 3.58Å; I174-V200 PolarHBondContact N-O 2.79Å; I174-L201 HydrophobicContact CB-CD1 4.47Å; I174-L201 HydrophobicContact CG2-CD1 4.16Å; I174-L201 CarbonylContact O-C 3.57Å; I174-L201 WeakPolarHBondContact O-CA 3.24Å; I174-V202 PolarHBondContact O-N 3.1Å
175I95Very high92.1Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-106.2119.7-170.1-55.9136.4000109.2L144 V158 G159 H161 E173 V202 N204 F208L144-I175 HydrophobicContact CD1-CB 4.46Å; L144-I175 HydrophobicContact CD1-CG2 4.25Å; L144-I175 WeakPolarHBondContact CD1-O 3.5Å; V158-I175 WeakPolarHBondContact CG2-O 3.43Å; G159-I175 PolarHBondContact N-O 2.94Å; G159-I175 PolarHBondContact O-N 3.47Å; H161-I175 HydrophobicContact CB-CD1 3.79Å; E173-I175 HydrophobicContact CB-CD1 4.47Å; E173-I175 HydrophobicContact CB-CG1 4.34Å; I175-V202 VanDerWaalsContact CA-O 3.3Å; I175-V202 WeakPolarHBondContact CA-O 3.2Å; I175-V202 HydrophobicContact CB-CG2 4.26Å; I175-V202 HydrophobicContact CG1-CG2 3.52Å; I175-N204 HydrophobicContact CG2-CB 4.02Å; I175-F208 HydrophobicContact CB-CD1 4.36Å; I175-F208 HydrophobicContact CB-CE1 4.16Å; I175-F208 HydrophobicContact CD1-CD1 3.76Å; I175-F208 HydrophobicContact CD1-CD2 3.82Å; I175-F208 HydrophobicContact CD1-CE1 3.66Å; I175-F208 HydrophobicContact CD1-CE2 3.68Å; I175-F208 HydrophobicContact CD1-CG 3.87Å; I175-F208 HydrophobicContact CD1-CZ 3.6Å; I175-F208 HydrophobicContact CG1-CD1 3.67Å; I175-F208 HydrophobicContact CG1-CE1 3.82Å; I175-F208 HydrophobicContact CG1-CG 4.08Å; I175-F208 HydrophobicContact CG1-CZ 4.29Å; I175-F208 HydrophobicContact CG2-CD1 3.76Å; I175-F208 HydrophobicContact CG2-CE1 3.41Å; I175-F208 VanDerWaalsContact CG2-CE1 3.41Å; I175-F208 HydrophobicContact CG2-CZ 4.29Å
176Y95.3Very high93Very high30 Ų3027.1 Ų27.112%0.11814%0.14CC..EExtended strand (participates in β ladder)trans-88.7134.8173.562.9-95.4000111.7L12 P13 L201 V202 N204 G350L12-Y176 VanDerWaalsContact CD2-CB 3.48Å; L12-Y176 HydrophobicContact CD2-CD1 3.7Å; L12-Y176 HydrophobicContact CD2-CD2 4.01Å; L12-Y176 HydrophobicContact CD2-CE1 4.4Å; L12-Y176 HydrophobicContact CD2-CG 3.46Å; L12-Y176 VanDerWaalsContact CD2-CG 3.46Å; P13-Y176 HydrophobicContact CG-CE2 3.62Å; P13-Y176 WeakPolarHBondContact CG-OH 3.46Å; Y176-L201 HydrophobicContact CD1-CD1 3.66Å; Y176-L201 HydrophobicContact CD1-CD2 4.17Å; Y176-L201 HydrophobicContact CD1-CG 3.76Å; Y176-L201 HydrophobicContact CE1-CD1 4.46Å; Y176-L201 HydrophobicContact CE1-CD2 4.38Å; Y176-L201 HydrophobicContact CE1-CG 4.07Å; Y176-V202 WeakPolarHBondContact CD1-O 3.47Å; Y176-V202 VanDerWaalsContact CE1-C 3.46Å; Y176-V202 WeakPolarHBondContact CE1-O 3.48Å; Y176-V202 PolarHBondContact N-O 3.04Å; Y176-V202 VanDerWaalsContact N-O 3.07Å; Y176-N204 VanDerWaalsContact O-CB 3.28Å; Y176-N204 WeakPolarHBondContact O-CB 3.49Å; Y176-N204 PolarHBondContact O-N 2.85Å; Y176-G350 PolarHBondContact OH-O 2.95Å; Y176-G350 VanDerWaalsContact OH-O 3.14Å
177G94.6Very high93.6Very high2 Ų227 Ų272%0.02114%0.139CC..  trans-81.2-177.7162.500000112.2R16 H179 T180R16-G177 PolarHBondContact NH1-O 3.08Å; R16-G177 PolarHBondContact NH2-O 3.3Å; G177-H179 VanDerWaalsContact C-N 3.26Å; G177-H179 PolarHBondContact O-N 3.42Å; G177-T180 PolarHBondContact N-OG1 2.99Å
178S94Very high94.6Very high63 Ų6325.8 Ų25.844%0.44113%0.132SC..SBendtrans-61.5-34.4173.651.20000112.7R16 N145R16-S178 PolarHBondContact NH2-O 3.01Å; N145-S178 WeakPolarHBondContact OD1-CB 3.35Å; N145-S178 PolarHBondContact OD1-N 3.31Å; N145-S178 PolarHBondContact OD1-OG 2.83Å
179H96.6Very high95.5Very high117 Ų11722.6 Ų22.654%0.54211%0.113SC..SBendtrans-106.8-8.9-174.7-67.477.5000114.4P154 S155 G177 S181P154-H179 HydrophobicContact CB-CB 4.18Å; P154-H179 HydrophobicContact CG-CB 4.03Å; S155-H179 VanDerWaalsContact CA-O 3.22Å; S155-H179 WeakPolarHBondContact CA-O 3.36Å; S155-H179 VanDerWaalsContact CB-O 3.32Å; S155-H179 WeakPolarHBondContact CB-O 3.33Å; G177-H179 VanDerWaalsContact C-N 3.26Å; G177-H179 PolarHBondContact O-N 3.42Å; H179-S181 PolarHBondContact O-N 3.23Å
180T98.1Very high96.1Very high4 Ų424.8 Ų24.83%0.02512%0.122CC..  trans-54.4127.4-178.9-53.60000111R16 S155 L157 V158 G177 A184 I185R16-T180 PolarHBondContact NH2-O 2.72Å; S155-T180 WeakPolarHBondContact O-CA 3.37Å; L157-T180 WeakPolarHBondContact O-CB 3.45Å; L157-T180 WeakPolarHBondContact O-CG2 3.3Å; L157-T180 PolarHBondContact O-OG1 3.48Å; V158-T180 HydrophobicContact CB-CG2 4.02Å; V158-T180 HydrophobicContact CG2-CG2 4.24Å; G177-T180 PolarHBondContact N-OG1 2.99Å; T180-A184 HydrophobicContact CG2-CB 3.98Å; T180-I185 HydrophobicContact CG2-CD1 3.57Å; T180-I185 HydrophobicContact CG2-CG1 4.04Å
181S98Very high96.5Very high17 Ų1719.5 Ų19.512%0.11910%0.103CC..  trans-76.3156.9-179.965.90000111.5S155 H179 Q183 A184 I185S155-S181 PolarHBondContact O-N 3.14Å; S155-S181 PolarHBondContact O-OG 2.98Å; H179-S181 PolarHBondContact O-N 3.23Å; S181-Q183 PolarHBondContact O-N 3.05Å; S181-A184 PolarHBondContact O-N 3.35Å; S181-A184 WeakPolarHBondContact OG-CB 3.38Å; S181-A184 PolarHBondContact OG-N 2.88Å; S181-A184 VanDerWaalsContact OG-N 3.1Å; S181-I185 WeakPolarHBondContact O-CG1 3.13Å; S181-I185 PolarHBondContact O-N 3.45Å
182S97.6Very high96.8Very high14 Ų1419.5 Ų19.510%0.09810%0.103CC..Hα-helixtrans-67.3-28.9174.976.70000112W10 R16 S22 I185 A186W10-S182 WeakPolarHBondContact CH2-O 3.41Å; R16-S182 WeakPolarHBondContact O-CB 3.2Å; S22-S182 WeakPolarHBondContact CB-OG 3.18Å; S22-S182 WeakPolarHBondContact OG-CB 3.37Å; S22-S182 PolarHBondContact OG-OG 3.25Å; S182-I185 PolarHBondContact O-N 3.36Å; S182-A186 WeakPolarHBondContact O-CB 3.38Å; S182-A186 PolarHBondContact O-N 3Å
183Q98.1Very high96.9Very high72 Ų7223.8 Ų23.834%0.33612%0.123SC..Hα-helixtrans-63.5-42.3171.6-63.792.2-27.300112.4E23 Y25 S181 I185 A186 T187E23-Q183 WeakPolarHBondContact O-CA 3.4Å; Y25-Q183 HydrophobicContact CE2-CB 4.44Å; S181-Q183 PolarHBondContact O-N 3.05Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 3.26Å; Q183-A186 PolarHBondContact O-N 2.86Å; Q183-T187 VanDerWaalsContact O-CB 3.24Å; Q183-T187 WeakPolarHBondContact O-CB 3.41Å; Q183-T187 PolarHBondContact O-N 2.76Å; Q183-T187 PolarHBondContact O-OG1 3.38Å
184A98.4Very high97.1Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-62.3-41176.200000111.4I134 T180 S181 A188I134-A184 HydrophobicContact CD1-CB 3.83Å; I134-A184 HydrophobicContact CG2-CB 4.29Å; T180-A184 HydrophobicContact CG2-CB 3.98Å; S181-A184 PolarHBondContact O-N 3.35Å; S181-A184 WeakPolarHBondContact OG-CB 3.38Å; S181-A184 PolarHBondContact OG-N 2.88Å; S181-A184 VanDerWaalsContact OG-N 3.1Å; A184-A188 VanDerWaalsContact O-CB 3.29Å; A184-A188 WeakPolarHBondContact O-CB 3.32Å; A184-A188 PolarHBondContact O-N 2.72Å
185I98.2Very high97.1Very high0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-63.8-53.1174.3-59.4-52.7000111W10 L12 V158 I174 T180 S181 S182 Q183 T187 A188 F189 L201W10-I185 HydrophobicContact CD2-CG2 3.69Å; W10-I185 HydrophobicContact CE3-CB 4.43Å; W10-I185 HydrophobicContact CE3-CG2 3.61Å; W10-I185 HydrophobicContact CG-CG2 4.39Å; W10-I185 HydrophobicContact CH2-CB 4.03Å; W10-I185 HydrophobicContact CH2-CG2 3.91Å; W10-I185 HydrophobicContact CZ2-CB 4.43Å; W10-I185 HydrophobicContact CZ2-CG2 4.01Å; W10-I185 HydrophobicContact CZ3-CB 4.04Å; W10-I185 HydrophobicContact CZ3-CG2 3.72Å; L12-I185 HydrophobicContact CD1-CG1 4.09Å; L12-I185 HydrophobicContact CD2-CG1 4.08Å; L12-I185 HydrophobicContact CG-CG1 4.3Å; V158-I185 HydrophobicContact CG2-CD1 3.66Å; I174-I185 HydrophobicContact CG2-CD1 3.96Å; I174-I185 HydrophobicContact CG2-CG2 4.49Å; T180-I185 HydrophobicContact CG2-CD1 3.57Å; T180-I185 HydrophobicContact CG2-CG1 4.04Å; S181-I185 WeakPolarHBondContact O-CG1 3.13Å; S181-I185 PolarHBondContact O-N 3.45Å; S182-I185 PolarHBondContact O-N 3.36Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 3.26Å; I185-T187 VanDerWaalsContact C-N 3.3Å; I185-T187 PolarHBondContact O-N 3.09Å; I185-A188 PolarHBondContact O-N 3.41Å; I185-A188 VanDerWaalsContact O-N 3.17Å; I185-F189 HydrophobicContact CG2-CD2 3.67Å; I185-F189 HydrophobicContact CG2-CE2 3.74Å; I185-F189 WeakPolarHBondContact O-CB 3.42Å; I185-F189 WeakPolarHBondContact O-CD2 3.23Å; I185-F189 PolarHBondContact O-N 2.98Å; I185-L201 HydrophobicContact CD1-CD1 3.81Å; I185-L201 HydrophobicContact CG1-CD1 4.23Å; I185-L201 HydrophobicContact CG2-CD1 3.72Å; I185-L201 HydrophobicContact CG2-CD2 4.45Å
186A98Very high97.1Very high8 Ų833.9 Ų33.97%0.06617%0.173CC..Hα-helixtrans-56.3-45.6-178.800000111.7W10 A24 S182 Q183 F189 Q190W10-A186 HydrophobicContact CH2-CB 4.22Å; W10-A186 HydrophobicContact CZ2-CB 3.7Å; A24-A186 HydrophobicContact CB-CB 3.87Å; S182-A186 WeakPolarHBondContact O-CB 3.38Å; S182-A186 PolarHBondContact O-N 3Å; Q183-A186 PolarHBondContact O-N 2.86Å; A186-F189 PolarHBondContact O-N 2.91Å; A186-Q190 WeakPolarHBondContact O-CB 3.17Å; A186-Q190 PolarHBondContact O-N 3.12Å
187T98.6Very high97.1Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-63.4-45177.9-55.70000111.5Y25 V27 I134 Q183 I185 F189 Q190 A191Y25-T187 PolarHBondContact N-OG1 2.85Å; V27-T187 HydrophobicContact CG2-CG2 3.49Å; V27-T187 VanDerWaalsContact CG2-CG2 3.49Å; I134-T187 HydrophobicContact CG1-CG2 3.78Å; Q183-T187 VanDerWaalsContact O-CB 3.24Å; Q183-T187 WeakPolarHBondContact O-CB 3.41Å; Q183-T187 PolarHBondContact O-N 2.76Å; Q183-T187 PolarHBondContact O-OG1 3.38Å; I185-T187 VanDerWaalsContact C-N 3.3Å; I185-T187 PolarHBondContact O-N 3.09Å; T187-F189 PolarHBondContact O-N 2.84Å; T187-Q190 PolarHBondContact O-N 2.93Å; T187-A191 VanDerWaalsContact O-CB 3.26Å; T187-A191 WeakPolarHBondContact O-CB 3.39Å; T187-A191 PolarHBondContact O-N 3Å
188A98.4Very high97Very high1 Ų133.9 Ų33.91%0.00817%0.174CC..Hα-helixtrans-65.7-38177.900000112.6V158 I160 I174 A184 I185 C192V158-A188 HydrophobicContact CG1-CB 4.19Å; I160-A188 HydrophobicContact CD1-CB 4.13Å; I174-A188 HydrophobicContact CD1-CB 4.17Å; I174-A188 HydrophobicContact CG2-CB 4.29Å; A184-A188 VanDerWaalsContact O-CB 3.29Å; A184-A188 WeakPolarHBondContact O-CB 3.32Å; A184-A188 PolarHBondContact O-N 2.72Å; I185-A188 PolarHBondContact O-N 3.41Å; I185-A188 VanDerWaalsContact O-N 3.17Å; A188-C192 WeakPolarHBondContact O-CB 3.49Å; A188-C192 PolarHBondContact O-N 3.29Å; A188-C192 PolarHBondContact O-SG 2.83Å
189F97.4Very high97Very high4 Ų431.1 Ų31.12%0.01816%0.155CC..Hα-helixtrans-60.6-55.1172.8-96.1-103.8000111.3A7 W10 I174 I185 A186 T187 A191 C192 E193 P199 L201A7-F189 VanDerWaalsContact O-CE1 3.32Å; A7-F189 WeakPolarHBondContact O-CE1 3.41Å; W10-F189 HydrophobicContact CB-CE1 4.29Å; W10-F189 HydrophobicContact CB-CE2 4.4Å; W10-F189 HydrophobicContact CB-CZ 3.91Å; W10-F189 AromaticContact CD1-CD1 3.58Å; W10-F189 AromaticContact CD1-CE1 3.57Å; W10-F189 AromaticContact CD1-CG 3.84Å; W10-F189 AromaticContact CD1-CZ 3.8Å; W10-F189 HydrophobicContact CG-CD1 4.48Å; W10-F189 HydrophobicContact CG-CD2 4.48Å; W10-F189 HydrophobicContact CG-CE1 4.15Å; W10-F189 HydrophobicContact CG-CE2 4.13Å; W10-F189 AromaticContact CG-CZ 3.95Å; W10-F189 HydrophobicContact CG-CZ 3.95Å; W10-F189 AromaticContact NE1-CG 3.9Å; I174-F189 HydrophobicContact CB-CD2 4.21Å; I174-F189 HydrophobicContact CB-CE2 3.71Å; I174-F189 HydrophobicContact CG1-CD2 3.93Å; I174-F189 HydrophobicContact CG1-CE2 3.76Å; I174-F189 HydrophobicContact CG1-CZ 4.42Å; I174-F189 HydrophobicContact CG2-CD2 4.07Å; I174-F189 HydrophobicContact CG2-CE2 3.86Å; I185-F189 HydrophobicContact CG2-CD2 3.67Å; I185-F189 HydrophobicContact CG2-CE2 3.74Å; I185-F189 WeakPolarHBondContact O-CB 3.42Å; I185-F189 WeakPolarHBondContact O-CD2 3.23Å; I185-F189 PolarHBondContact O-N 2.98Å; A186-F189 PolarHBondContact O-N 2.91Å; T187-F189 PolarHBondContact O-N 2.84Å; F189-A191 VanDerWaalsContact C-N 3.29Å; F189-A191 PolarHBondContact O-N 3.1Å; F189-C192 PolarHBondContact O-N 2.81Å; F189-C192 VanDerWaalsContact O-N 3.12Å; F189-E193 WeakPolarHBondContact O-CG 3.14Å; F189-E193 PolarHBondContact O-N 3.23Å; F189-P199 HydrophobicContact CB-CG 4.31Å; F189-P199 HydrophobicContact CD1-CB 3.73Å; F189-P199 HydrophobicContact CD1-CG 3.34Å; F189-P199 HydrophobicContact CD2-CB 4.31Å; F189-P199 HydrophobicContact CE1-CB 3.77Å; F189-P199 HydrophobicContact CE1-CG 3.7Å; F189-P199 HydrophobicContact CE2-CB 4.37Å; F189-P199 HydrophobicContact CG-CB 4.01Å; F189-P199 HydrophobicContact CG-CG 3.89Å; F189-P199 HydrophobicContact CZ-CB 4.11Å; F189-L201 HydrophobicContact CE2-CB 3.94Å; F189-L201 HydrophobicContact CE2-CD1 4.18Å; F189-L201 HydrophobicContact CZ-CB 3.78Å
190Q98Very high96.8Very high75 Ų7525.6 Ų25.635%0.3513%0.129SC..Hα-helixtrans-58.2-42.4179.5-178.5168.4-79.700111.5A24 Y25 D26 A186 T187 E193 S194A24-Q190 HydrophobicContact CB-CB 4.17Å; Y25-Q190 PolarHBondContact O-NE2 3.15Å; D26-Q190 PolarHBondContact OD1-NE2 2.94Å; A186-Q190 WeakPolarHBondContact O-CB 3.17Å; A186-Q190 PolarHBondContact O-N 3.12Å; T187-Q190 PolarHBondContact O-N 2.93Å; Q190-E193 PolarHBondContact O-N 3.11Å; Q190-S194 WeakPolarHBondContact O-CB 3.34Å; Q190-S194 PolarHBondContact O-N 3.19Å
191A98.3Very high96.5Very high2 Ų226 Ų262%0.01713%0.131CC..Hα-helixtrans-59.6-47.5175.400000111.9V27 L106 T187 F189 S194 I195V27-A191 HydrophobicContact CB-CB 4.27Å; V27-A191 HydrophobicContact CG1-CB 4.33Å; V27-A191 HydrophobicContact CG2-CB 4.05Å; L106-A191 HydrophobicContact CD2-CB 3.82Å; T187-A191 VanDerWaalsContact O-CB 3.26Å; T187-A191 WeakPolarHBondContact O-CB 3.39Å; T187-A191 PolarHBondContact O-N 3Å; F189-A191 VanDerWaalsContact C-N 3.29Å; F189-A191 PolarHBondContact O-N 3.1Å; A191-S194 PolarHBondContact O-N 3.41Å; A191-S194 PolarHBondContact O-OG 3.26Å; A191-I195 PolarHBondContact O-N 2.92Å
192C97.6Very high96.2Very high1 Ų125.2 Ų25.21%0.00713%0.126CC..Hα-helixtrans-62.4-43.6177.1-71.10000112.5A188 F189 S194 I195 K196 K197 P199A188-C192 WeakPolarHBondContact O-CB 3.49Å; A188-C192 PolarHBondContact O-N 3.29Å; A188-C192 PolarHBondContact O-SG 2.83Å; F189-C192 PolarHBondContact O-N 2.81Å; F189-C192 VanDerWaalsContact O-N 3.12Å; C192-S194 VanDerWaalsContact C-N 3.33Å; C192-S194 PolarHBondContact O-N 3.21Å; C192-I195 CarbonylContact O-C 3.53Å; C192-I195 WeakPolarHBondContact O-CG1 3.35Å; C192-I195 PolarHBondContact O-N 3.08Å; C192-K196 PolarHBondContact O-N 2.78Å; C192-K197 HydrophobicContact CB-CB 4.03Å; C192-K197 WeakPolarHBondContact O-CA 3.45Å; C192-K197 VanDerWaalsContact O-CB 3.29Å; C192-K197 WeakPolarHBondContact O-CB 3.49Å; C192-K197 PolarHBondContact O-N 3.33Å; C192-P199 HydrophobicContact CB-CB 3.94Å; C192-P199 HydrophobicContact CB-CG 3.96Å
193E96.3Very high95.8Very high90 Ų9024.7 Ų24.742%0.42112%0.122SC..Hα-helixtrans-64.5-38.3179.5-70.5173.3172.700112F189 Q190 I195 K196 P199F189-E193 WeakPolarHBondContact O-CG 3.14Å; F189-E193 PolarHBondContact O-N 3.23Å; Q190-E193 PolarHBondContact O-N 3.11Å; E193-I195 PolarHBondContact O-N 2.77Å; E193-K196 WeakPolarHBondContact O-CA 3.5Å; E193-K196 PolarHBondContact O-N 2.92Å; E193-P199 HydrophobicContact CG-CG 4.04Å
194S96.9Very high95.2Very high48 Ų4823 Ų2334%0.33612%0.116SC..Hα-helixtrans-59.3-36.2176.480.80000112.3I51 Q190 A191 C192 K196I51-S194 WeakPolarHBondContact CD1-OG 3.27Å; Q190-S194 WeakPolarHBondContact O-CB 3.34Å; Q190-S194 PolarHBondContact O-N 3.19Å; A191-S194 PolarHBondContact O-N 3.41Å; A191-S194 PolarHBondContact O-OG 3.26Å; C192-S194 VanDerWaalsContact C-N 3.33Å; C192-S194 PolarHBondContact O-N 3.21Å; S194-K196 VanDerWaalsContact C-N 3.26Å; S194-K196 PolarHBondContact O-N 3.03Å
195I96.6Very high94.2Very high13 Ų1324 Ų247%0.06712%0.122CC..THydrogen-bonded Turntrans-88.914.5175.765.5165.3000113.4C45 F46 A49 I51 F162 A191 C192 E193 K197C45-I195 HydrophobicContact CB-CD1 4.15Å; F46-I195 HydrophobicContact CB-CG2 4.48Å; F46-I195 HydrophobicContact CD1-CD1 4.37Å; F46-I195 HydrophobicContact CD1-CG2 3.41Å; F46-I195 VanDerWaalsContact CD1-CG2 3.41Å; F46-I195 HydrophobicContact CD2-CD1 4.45Å; F46-I195 HydrophobicContact CE1-CD1 4Å; F46-I195 HydrophobicContact CE1-CG2 3.75Å; F46-I195 HydrophobicContact CE2-CD1 4.1Å; F46-I195 HydrophobicContact CG-CG2 4.04Å; F46-I195 HydrophobicContact CZ-CD1 3.86Å; A49-I195 HydrophobicContact CB-CB 4.21Å; A49-I195 HydrophobicContact CB-CG2 3.7Å; I51-I195 HydrophobicContact CD1-CG2 3.77Å; F162-I195 HydrophobicContact CE1-CD1 4.03Å; F162-I195 HydrophobicContact CZ-CD1 3.82Å; A191-I195 PolarHBondContact O-N 2.92Å; C192-I195 CarbonylContact O-C 3.53Å; C192-I195 WeakPolarHBondContact O-CG1 3.35Å; C192-I195 PolarHBondContact O-N 3.08Å; E193-I195 PolarHBondContact O-N 2.77Å; I195-K197 HydrophobicContact CD1-CB 4.43Å; I195-K197 HydrophobicContact CD1-CG 3.57Å; I195-K197 HydrophobicContact CG1-CB 4.19Å; I195-K197 HydrophobicContact CG1-CG 3.68Å; I195-K197 PolarHBondContact O-N 3.1Å
196K94.8Very high92.9Very high150 Ų15032.9 Ų32.965%0.65216%0.161SC*.THydrogen-bonded Turntrans62.621.4178.3-47.6-56.4173.4-164.60114.2R170 C192 E193 S194R170-K196 PolarHBondContact NE-O 3Å; R170-K196 PolarHBondContact NH2-O 2.97Å; C192-K196 PolarHBondContact O-N 2.78Å; E193-K196 WeakPolarHBondContact O-CA 3.5Å; E193-K196 PolarHBondContact O-N 2.92Å; S194-K196 VanDerWaalsContact C-N 3.26Å; S194-K196 PolarHBondContact O-N 3.03Å
197K94.3Very high91.6Very high12 Ų1233.6 Ų33.65%0.05217%0.165CC..  trans-78.6170.1165.7-64.4-66.9172.2-147.80111F162 A166 I169 R170 V172 C192 I195F162-K197 HydrophobicContact CE1-CD 4.21Å; F162-K197 HydrophobicContact CE1-CG 4.09Å; A166-K197 WeakPolarHBondContact O-CE 3.39Å; A166-K197 PolarHBondContact O-NZ 3.47Å; I169-K197 PolarHBondContact O-NZ 3.01Å; R170-K197 CarbonylContact O-C 3.54Å; R170-K197 VanDerWaalsContact O-CA 3.3Å; R170-K197 WeakPolarHBondContact O-CA 3.31Å; R170-K197 WeakPolarHBondContact O-CB 3.23Å; R170-K197 WeakPolarHBondContact O-CD 3.33Å; V172-K197 HydrophobicContact CG2-CB 3.75Å; V172-K197 HydrophobicContact CG2-CD 3.85Å; V172-K197 HydrophobicContact CG2-CG 3.78Å; C192-K197 HydrophobicContact CB-CB 4.03Å; C192-K197 WeakPolarHBondContact O-CA 3.45Å; C192-K197 VanDerWaalsContact O-CB 3.29Å; C192-K197 WeakPolarHBondContact O-CB 3.49Å; C192-K197 PolarHBondContact O-N 3.33Å; I195-K197 HydrophobicContact CD1-CB 4.43Å; I195-K197 HydrophobicContact CD1-CG 3.57Å; I195-K197 HydrophobicContact CG1-CB 4.19Å; I195-K197 HydrophobicContact CG1-CG 3.68Å; I195-K197 PolarHBondContact O-N 3.1Å
198L92.5Very high90.8Very high20 Ų2033.7 Ų33.711%0.10517%0.166CC..EExtended strand (participates in β ladder)trans-124.290.9-179.6-67179.8000107.4H4 R170 V172 L364H4-L198 WeakPolarHBondContact CD2-CD2 3.14Å; H4-L198 WeakPolarHBondContact NE2-CD2 3.4Å; R170-L198 HydrophobicContact CB-CB 4.5Å; R170-L198 HydrophobicContact CB-CD1 4.12Å; R170-L198 HydrophobicContact CB-CG 4.15Å; R170-L198 PolarHBondContact O-N 3.1Å; V172-L198 PolarHBondContact N-O 2.85Å; L198-L364 HydrophobicContact CB-CD1 4.27Å; L198-L364 HydrophobicContact CD1-CD1 3.36Å; L198-L364 HydrophobicContact CG-CD1 4.42Å
199P93.6Very high90.2Very high5 Ų533.6 Ų33.63%0.03217%0.165CC..EExtended strand (participates in β ladder)trans-69.9144.7177.529.5-34.2000111.1V172 I174 F189 C192 E193V172-P199 CarbonylContact O-C 3.53Å; V172-P199 VanDerWaalsContact O-CA 3.31Å; V172-P199 WeakPolarHBondContact O-CA 3.37Å; I174-P199 HydrophobicContact CD1-CB 4.23Å; I174-P199 HydrophobicContact CG1-CB 3.58Å; F189-P199 HydrophobicContact CB-CG 4.31Å; F189-P199 HydrophobicContact CD1-CB 3.73Å; F189-P199 HydrophobicContact CD1-CG 3.34Å; F189-P199 HydrophobicContact CD2-CB 4.31Å; F189-P199 HydrophobicContact CE1-CB 3.77Å; F189-P199 HydrophobicContact CE1-CG 3.7Å; F189-P199 HydrophobicContact CE2-CB 4.37Å; F189-P199 HydrophobicContact CG-CB 4.01Å; F189-P199 HydrophobicContact CG-CG 3.89Å; F189-P199 HydrophobicContact CZ-CB 4.11Å; C192-P199 HydrophobicContact CB-CB 3.94Å; C192-P199 HydrophobicContact CB-CG 3.96Å; E193-P199 HydrophobicContact CG-CG 4.04Å
200V92.4Very high89.6Confident1 Ų134.1 Ų34.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-132.7128.1171.41760000108.4A7 L171 V172 I174 V202 L357 M361A7-V200 HydrophobicContact CB-CG2 4.28Å; L171-V200 HydrophobicContact CD1-CB 4.36Å; L171-V200 HydrophobicContact CD1-CG2 3.72Å; V172-V200 PolarHBondContact O-N 2.9Å; I174-V200 PolarHBondContact N-O 2.79Å; V200-V202 HydrophobicContact CG1-CG1 4.19Å; V200-L357 HydrophobicContact CG1-CB 3.98Å; V200-L357 HydrophobicContact CG1-CD1 4.36Å; V200-L357 HydrophobicContact CG1-CD2 4.23Å; V200-L357 HydrophobicContact CG1-CG 4.41Å; V200-M361 HydrophobicContact CB-CG 4.26Å; V200-M361 HydrophobicContact CB-SD 4.29Å; V200-M361 HydrophobicContact CG1-CG 4.11Å; V200-M361 HydrophobicContact CG1-SD 3.9Å; V200-M361 HydrophobicContact CG2-CG 4.14Å
201L92.9Very high89Confident12 Ų1231.8 Ų31.86%0.06316%0.157CC..EExtended strand (participates in β ladder)trans-78.1125.6179.4-172.266.9000109.5W10 S11 L12 I174 Y176 I185 F189W10-L201 HydrophobicContact CB-CB 3.91Å; W10-L201 HydrophobicContact CB-CD2 3.86Å; W10-L201 HydrophobicContact CE3-CD2 4.02Å; S11-L201 WeakPolarHBondContact O-CD2 3.44Å; L12-L201 HydrophobicContact CD2-CD2 4.25Å; I174-L201 HydrophobicContact CB-CD1 4.47Å; I174-L201 HydrophobicContact CG2-CD1 4.16Å; I174-L201 CarbonylContact O-C 3.57Å; I174-L201 WeakPolarHBondContact O-CA 3.24Å; Y176-L201 HydrophobicContact CD1-CD1 3.66Å; Y176-L201 HydrophobicContact CD1-CD2 4.17Å; Y176-L201 HydrophobicContact CD1-CG 3.76Å; Y176-L201 HydrophobicContact CE1-CD1 4.46Å; Y176-L201 HydrophobicContact CE1-CD2 4.38Å; Y176-L201 HydrophobicContact CE1-CG 4.07Å; I185-L201 HydrophobicContact CD1-CD1 3.81Å; I185-L201 HydrophobicContact CG1-CD1 4.23Å; I185-L201 HydrophobicContact CG2-CD1 3.72Å; I185-L201 HydrophobicContact CG2-CD2 4.45Å; F189-L201 HydrophobicContact CE2-CB 3.94Å; F189-L201 HydrophobicContact CE2-CD1 4.18Å; F189-L201 HydrophobicContact CZ-CB 3.78Å
202V92Very high88.5Confident1 Ų133.3 Ų33.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-134.6152.8177.8-59.70000110.6E173 I174 I175 Y176 V200 V209 V351 I352 M361E173-V202 HydrophobicContact CB-CG2 4.02Å; E173-V202 HydrophobicContact CG-CG1 4.47Å; E173-V202 HydrophobicContact CG-CG2 4.24Å; I174-V202 PolarHBondContact O-N 3.1Å; I175-V202 VanDerWaalsContact CA-O 3.3Å; I175-V202 WeakPolarHBondContact CA-O 3.2Å; I175-V202 HydrophobicContact CB-CG2 4.26Å; I175-V202 HydrophobicContact CG1-CG2 3.52Å; Y176-V202 WeakPolarHBondContact CD1-O 3.47Å; Y176-V202 VanDerWaalsContact CE1-C 3.46Å; Y176-V202 WeakPolarHBondContact CE1-O 3.48Å; Y176-V202 PolarHBondContact N-O 3.04Å; Y176-V202 VanDerWaalsContact N-O 3.07Å; V200-V202 HydrophobicContact CG1-CG1 4.19Å; V202-V209 HydrophobicContact CB-CG2 4.02Å; V202-V209 HydrophobicContact CG1-CB 4.49Å; V202-V209 HydrophobicContact CG1-CG2 3.87Å; V202-V351 CarbonylContact C-O 3.5Å; V202-V351 WeakPolarHBondContact CA-O 3.43Å; V202-I352 HydrophobicContact CG1-CD1 4.11Å; V202-M361 HydrophobicContact CG1-CE 4.46Å; V202-M361 HydrophobicContact CG1-SD 3.97Å
203G89.1Confident88.2Confident3 Ų333.3 Ų33.33%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-77154175.900000112.4C205 V351G203-C205 PolarHBondContact O-N 2.93Å; G203-C205 VanDerWaalsContact O-N 3.16Å; G203-V351 PolarHBondContact N-O 2.75Å
204N84.2Confident87.9Confident37 Ų3730.7 Ų30.720%0.19815%0.152CC..  trans-69.4107.7170-176.821.3000110.2D143 L144 N145 I175 Y176D143-N204 PolarHBondContact OD1-ND2 3.32Å; L144-N204 PolarHBondContact N-ND2 3.37Å; N145-N204 PolarHBondContact ND2-ND2 2.75Å; I175-N204 HydrophobicContact CG2-CB 4.02Å; Y176-N204 VanDerWaalsContact O-CB 3.28Å; Y176-N204 WeakPolarHBondContact O-CB 3.49Å; Y176-N204 PolarHBondContact O-N 2.85Å
205C78.8Confident87.5Confident20 Ų2030.2 Ų30.214%0.13514%0.144CC..  trans-134.7165.1169.377.90000109.6G203 S207 F208 R212 V351G203-C205 PolarHBondContact O-N 2.93Å; G203-C205 VanDerWaalsContact O-N 3.16Å; C205-S207 PolarHBondContact O-N 2.82Å; C205-S207 VanDerWaalsContact O-N 3.1Å; C205-F208 PolarHBondContact O-N 3.29Å; C205-F208 VanDerWaalsContact O-N 3.14Å; C205-F208 VanDerWaalsContact SG-CA 3.54Å; C205-R212 WeakPolarHBondContact SG-CD 3.33Å; C205-V351 HydrophobicContact CB-CG1 3.94Å; C205-V351 HydrophobicContact CB-CG2 3.82Å; C205-V351 VanDerWaalsContact SG-CG1 3.53Å
206K70.6Confident87.4Confident188 Ų18830.6 Ų30.682%0.81715%0.147SC*.THydrogen-bonded Turntrans-55.1122.2173.3-67.2-168.9177.4-173.70109.8F208 R212K206-F208 PolarHBondContact O-N 3.05Å; K206-R212 WeakPolarHBondContact O-CD 3.27Å; K206-R212 WeakPolarHBondContact O-CG 3.12Å
207S70.1Confident87.4Confident22 Ų2223.7 Ų23.715%0.15412%0.117CC..THydrogen-bonded Turntrans66.17178.8-46.60000116.9C205 N211C205-S207 PolarHBondContact O-N 2.82Å; C205-S207 VanDerWaalsContact O-N 3.1Å; S207-N211 WeakPolarHBondContact O-CB 3.35Å; S207-N211 PolarHBondContact O-ND2 3.12Å
208F81.6Confident87.4Confident2 Ų223.8 Ų23.81%0.00912%0.117CC..Hα-helixtrans54.8177.5-177.4-46.9-58.4000114.4T139 I175 C205 K206 R212T139-F208 HydrophobicContact CG2-CZ 4.36Å; T139-F208 VanDerWaalsContact O-CE2 3.3Å; T139-F208 WeakPolarHBondContact O-CE2 3.46Å; I175-F208 HydrophobicContact CB-CD1 4.36Å; I175-F208 HydrophobicContact CB-CE1 4.16Å; I175-F208 HydrophobicContact CD1-CD1 3.76Å; I175-F208 HydrophobicContact CD1-CD2 3.82Å; I175-F208 HydrophobicContact CD1-CE1 3.66Å; I175-F208 HydrophobicContact CD1-CE2 3.68Å; I175-F208 HydrophobicContact CD1-CG 3.87Å; I175-F208 HydrophobicContact CD1-CZ 3.6Å; I175-F208 HydrophobicContact CG1-CD1 3.67Å; I175-F208 HydrophobicContact CG1-CE1 3.82Å; I175-F208 HydrophobicContact CG1-CG 4.08Å; I175-F208 HydrophobicContact CG1-CZ 4.29Å; I175-F208 HydrophobicContact CG2-CD1 3.76Å; I175-F208 HydrophobicContact CG2-CE1 3.41Å; I175-F208 VanDerWaalsContact CG2-CE1 3.41Å; I175-F208 HydrophobicContact CG2-CZ 4.29Å; C205-F208 PolarHBondContact O-N 3.29Å; C205-F208 VanDerWaalsContact O-N 3.14Å; C205-F208 VanDerWaalsContact SG-CA 3.54Å; K206-F208 PolarHBondContact O-N 3.05Å; F208-R212 WeakPolarHBondContact O-CB 3.39Å; F208-R212 WeakPolarHBondContact O-CG 3.36Å; F208-R212 PolarHBondContact O-N 3.45Å
209V86.3Confident87.5Confident0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-66.9-47.1-171.4-176.20000111.1V202 R212 L213 C346 V351 I352 I358 M361V202-V209 HydrophobicContact CB-CG2 4.02Å; V202-V209 HydrophobicContact CG1-CB 4.49Å; V202-V209 HydrophobicContact CG1-CG2 3.87Å; V209-R212 PolarHBondContact O-N 3.45Å; V209-L213 HydrophobicContact CG1-CD1 4.02Å; V209-L213 VanDerWaalsContact O-CD1 3.29Å; V209-L213 WeakPolarHBondContact O-CD1 3.39Å; V209-L213 PolarHBondContact O-N 3.48Å; V209-C346 HydrophobicContact CG1-CB 4.27Å; V209-V351 HydrophobicContact CG2-CB 4.36Å; V209-V351 HydrophobicContact CG2-CG1 3.52Å; V209-I352 HydrophobicContact CG1-CD1 4.3Å; V209-I352 HydrophobicContact CG2-CB 4.13Å; V209-I352 HydrophobicContact CG2-CD1 4.33Å; V209-I358 HydrophobicContact CG1-CG1 4.48Å; V209-M361 HydrophobicContact CB-CE 3.63Å; V209-M361 HydrophobicContact CG1-CE 3.34Å; V209-M361 HydrophobicContact CG2-CE 4.36Å
210F85.2Confident87.6Confident14 Ų1425.4 Ų25.46%0.06113%0.125CC..Hα-helixtrans-60.6-51.5-177.1-175.6-87.9000112.6F163 E173 R212 L213 L214 F362 F366F163-F210 HydrophobicContact CD1-CD1 4.26Å; F163-F210 HydrophobicContact CD1-CE1 4.15Å; F163-F210 HydrophobicContact CD1-CE2 4.48Å; F163-F210 HydrophobicContact CD1-CG 4.43Å; F163-F210 HydrophobicContact CD1-CZ 4.27Å; F163-F210 HydrophobicContact CE1-CB 3.83Å; F163-F210 AromaticContact CE1-CD1 3.41Å; F163-F210 HydrophobicContact CE1-CD1 3.41Å; F163-F210 VanDerWaalsContact CE1-CD1 3.41Å; F163-F210 AromaticContact CE1-CD2 3.75Å; F163-F210 HydrophobicContact CE1-CD2 3.75Å; F163-F210 AromaticContact CE1-CE1 3.75Å; F163-F210 HydrophobicContact CE1-CE1 3.75Å; F163-F210 HydrophobicContact CE1-CE2 4.07Å; F163-F210 AromaticContact CE1-CG 3.38Å; F163-F210 HydrophobicContact CE1-CG 3.38Å; F163-F210 HydrophobicContact CE1-CZ 4.07Å; F163-F210 HydrophobicContact CZ-CB 3.78Å; F163-F210 HydrophobicContact CZ-CD1 4.25Å; F163-F210 HydrophobicContact CZ-CD2 4.12Å; F163-F210 AromaticContact CZ-CG 3.8Å; F163-F210 HydrophobicContact CZ-CG 3.8Å; E173-F210 VanDerWaalsContact OE1-CB 3.23Å; E173-F210 WeakPolarHBondContact OE1-CB 3.3Å; E173-F210 PolarHBondContact OE1-N 3.22Å; F210-R212 VanDerWaalsContact C-N 3.35Å; F210-R212 PolarHBondContact O-N 3.45Å; F210-L213 PolarHBondContact O-N 3.25Å; F210-L214 HydrophobicContact CE1-CB 4.48Å; F210-L214 HydrophobicContact CE1-CD2 4.02Å; F210-L214 WeakPolarHBondContact O-CB 3.15Å; F210-L214 PolarHBondContact O-N 2.9Å; F210-F362 HydrophobicContact CD2-CZ 4.25Å; F210-F366 HydrophobicContact CE2-CB 3.62Å; F210-F366 HydrophobicContact CZ-CB 3.83Å; F210-F366 AromaticContact CZ-CD2 3.99Å; F210-F366 HydrophobicContact CZ-CD2 3.99Å; F210-F366 HydrophobicContact CZ-CG 4.41Å
211N85.5Confident87.9Confident26 Ų2625.3 Ų25.314%0.13913%0.125CC..Hα-helixtrans-72.1-31.2-175-50.4-60.6000111.5S207 L214 H215S207-N211 WeakPolarHBondContact O-CB 3.35Å; S207-N211 PolarHBondContact O-ND2 3.12Å; N211-L214 WeakPolarHBondContact O-CB 3.42Å; N211-L214 PolarHBondContact O-N 3.04Å; N211-H215 WeakPolarHBondContact O-CB 3.45Å; N211-H215 PolarHBondContact O-CD2 3.45Å; N211-H215 VanDerWaalsContact O-CG 3.3Å; N211-H215 PolarHBondContact O-N 3.3Å
212R88.2Confident88Confident35 Ų3524.8 Ų24.813%0.13212%0.122CC..Hα-helixtrans-55.9-53.6173.3-80.7177.865.41668112C205 K206 F208 V209 F210 L214 H215 V216 E342 E349C205-R212 WeakPolarHBondContact SG-CD 3.33Å; K206-R212 WeakPolarHBondContact O-CD 3.27Å; K206-R212 WeakPolarHBondContact O-CG 3.12Å; F208-R212 WeakPolarHBondContact O-CB 3.39Å; F208-R212 WeakPolarHBondContact O-CG 3.36Å; F208-R212 PolarHBondContact O-N 3.45Å; V209-R212 PolarHBondContact O-N 3.45Å; F210-R212 VanDerWaalsContact C-N 3.35Å; F210-R212 PolarHBondContact O-N 3.45Å; R212-L214 VanDerWaalsContact C-N 3.31Å; R212-L214 PolarHBondContact O-N 3.06Å; R212-H215 PolarHBondContact O-N 3.37Å; R212-V216 PolarHBondContact O-N 3.21Å; R212-V216 VanDerWaalsContact O-N 3.14Å; R212-E342 HydrophobicContact CB-CG 4.42Å; R212-E342 IonicContact CZ-OE1 2.73Å; R212-E342 IonicContact NE-OE1 3.64Å; R212-E342 PolarHBondContact NE-OE1 3.31Å; R212-E342 IonicContact NH2-OE1 2.84Å; R212-E342 PolarHBondContact NH2-OE1 3.05Å; R212-E349 IonicContact CZ-OE1 2.95Å; R212-E349 IonicContact CZ-OE2 2.79Å; R212-E349 IonicContact NH1-OE1 3.96Å; R212-E349 IonicContact NH1-OE2 3.15Å; R212-E349 PolarHBondContact NH1-OE2 3.15Å; R212-E349 IonicContact NH2-OE1 2.68Å; R212-E349 PolarHBondContact NH2-OE1 3.17Å; R212-E349 IonicContact NH2-OE2 2.74Å; R212-E349 PolarHBondContact NH2-OE2 3.2Å
213L90.9Very high88.2Confident0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-65.5-36.7178.4-88.680.2000111.5V209 F210 V216 Y217 T339 E342 I358 F362V209-L213 HydrophobicContact CG1-CD1 4.02Å; V209-L213 VanDerWaalsContact O-CD1 3.29Å; V209-L213 WeakPolarHBondContact O-CD1 3.39Å; V209-L213 PolarHBondContact O-N 3.48Å; F210-L213 PolarHBondContact O-N 3.25Å; L213-V216 PolarHBondContact O-N 3.35Å; L213-Y217 VanDerWaalsContact O-CB 3.32Å; L213-Y217 WeakPolarHBondContact O-CB 3.38Å; L213-Y217 PolarHBondContact O-N 3.23Å; L213-T339 HydrophobicContact CB-CG2 4.07Å; L213-T339 HydrophobicContact CD2-CG2 4.05Å; L213-T339 HydrophobicContact CG-CG2 4.17Å; L213-E342 HydrophobicContact CD1-CB 4.34Å; L213-E342 HydrophobicContact CD1-CG 3.82Å; L213-E342 HydrophobicContact CG-CB 4.18Å; L213-E342 HydrophobicContact CG-CG 4.05Å; L213-I358 HydrophobicContact CD2-CG2 3.83Å; L213-F362 HydrophobicContact CB-CE1 3.93Å; L213-F362 HydrophobicContact CB-CE2 3.75Å; L213-F362 HydrophobicContact CB-CZ 3.16Å; L213-F362 HydrophobicContact CD2-CD2 4.02Å; L213-F362 HydrophobicContact CD2-CE1 4.41Å; L213-F362 HydrophobicContact CD2-CE2 3.34Å; L213-F362 HydrophobicContact CD2-CZ 3.63Å; L213-F362 HydrophobicContact CG-CE2 4.07Å; L213-F362 HydrophobicContact CG-CZ 3.97Å
214L89.5Confident88.7Confident36 Ų3624.9 Ų24.919%0.18812%0.122CC..Hα-helixtrans-61.6-42.9174.5-17967.3000112.2F210 N211 R212 Y217 F218 F366F210-L214 HydrophobicContact CE1-CB 4.48Å; F210-L214 HydrophobicContact CE1-CD2 4.02Å; F210-L214 WeakPolarHBondContact O-CB 3.15Å; F210-L214 PolarHBondContact O-N 2.9Å; N211-L214 WeakPolarHBondContact O-CB 3.42Å; N211-L214 PolarHBondContact O-N 3.04Å; R212-L214 VanDerWaalsContact C-N 3.31Å; R212-L214 PolarHBondContact O-N 3.06Å; L214-Y217 PolarHBondContact O-N 3.19Å; L214-F218 VanDerWaalsContact O-CB 3.22Å; L214-F218 WeakPolarHBondContact O-CB 3.49Å; L214-F218 PolarHBondContact O-N 3.42Å; L214-F366 HydrophobicContact CD1-CD2 3.7Å; L214-F366 HydrophobicContact CD1-CE2 3.25Å; L214-F366 HydrophobicContact CD1-CZ 4.26Å
215H89.4Confident89.3Confident37 Ų3723.1 Ų23.117%0.17111%0.112CC..Hα-helixtrans-63.4-47.7178.7-76.5-55.5000111N211 R212 Y217 F218 D219 L263N211-H215 WeakPolarHBondContact O-CB 3.45Å; N211-H215 PolarHBondContact O-CD2 3.45Å; N211-H215 VanDerWaalsContact O-CG 3.3Å; N211-H215 PolarHBondContact O-N 3.3Å; R212-H215 PolarHBondContact O-N 3.37Å; H215-Y217 VanDerWaalsContact C-N 3.35Å; H215-Y217 PolarHBondContact O-N 2.86Å; H215-F218 PolarHBondContact O-N 3.02Å; H215-D219 VanDerWaalsContact O-CB 3.28Å; H215-D219 WeakPolarHBondContact O-CB 3.32Å; H215-D219 VanDerWaalsContact O-CG 3.3Å; H215-D219 PolarHBondContact O-N 2.86Å; H215-L263 WeakPolarHBondContact CE1-CD2 3.45Å; H215-L263 WeakPolarHBondContact NE2-CD2 3.49Å
216V93.4Very high90Very high22 Ų2224 Ų2413%0.13311%0.113CC..Hα-helixtrans-58.2-49.1175.3173.80000110.6R212 L213 F218 Q220 P338 E342 A403R212-V216 PolarHBondContact O-N 3.21Å; R212-V216 VanDerWaalsContact O-N 3.14Å; L213-V216 PolarHBondContact O-N 3.35Å; V216-F218 VanDerWaalsContact C-N 3.35Å; V216-F218 PolarHBondContact O-N 3.45Å; V216-Q220 WeakPolarHBondContact O-CB 3.45Å; V216-Q220 WeakPolarHBondContact O-CG 3.37Å; V216-Q220 PolarHBondContact O-N 3.01Å; V216-Q220 VanDerWaalsContact O-N 3.12Å; V216-P338 HydrophobicContact CG1-CB 3.65Å; V216-E342 HydrophobicContact CB-CB 4.43Å; V216-E342 HydrophobicContact CG2-CB 4.03Å; V216-E342 HydrophobicContact CG2-CG 3.85Å; V216-A403 HydrophobicContact CG1-CB 4.4Å
217Y94.8Very high91.2Very high4 Ų416.5 Ų16.52%0.0168%0.081CC..Hα-helixtrans-58.3-45178171.7-102.7000112.8L213 L214 H215 S221 I239 P248 M335 L336 T339 F366L213-Y217 VanDerWaalsContact O-CB 3.32Å; L213-Y217 WeakPolarHBondContact O-CB 3.38Å; L213-Y217 PolarHBondContact O-N 3.23Å; L214-Y217 PolarHBondContact O-N 3.19Å; H215-Y217 VanDerWaalsContact C-N 3.35Å; H215-Y217 PolarHBondContact O-N 2.86Å; Y217-S221 WeakPolarHBondContact O-CB 3.47Å; Y217-S221 PolarHBondContact O-N 3.1Å; Y217-S221 PolarHBondContact O-OG 3.24Å; Y217-I239 HydrophobicContact CE2-CD1 4.12Å; Y217-I239 WeakPolarHBondContact OH-CD1 3.32Å; Y217-P248 HydrophobicContact CE1-CB 3.7Å; Y217-P248 HydrophobicContact CE1-CG 4.29Å; Y217-P248 WeakPolarHBondContact OH-CD 3.46Å; Y217-M335 HydrophobicContact CD2-CB 4.23Å; Y217-M335 HydrophobicContact CE2-CB 4.11Å; Y217-M335 HydrophobicContact CE2-SD 4.42Å; Y217-L336 HydrophobicContact CD2-CD2 4.03Å; Y217-L336 HydrophobicContact CE2-CD2 3.81Å; Y217-T339 WeakPolarHBondContact CB-OG1 3.47Å; Y217-F366 HydrophobicContact CD1-CE1 4.41Å; Y217-F366 HydrophobicContact CD1-CE2 4.28Å; Y217-F366 AromaticContact CD1-CZ 3.67Å; Y217-F366 HydrophobicContact CD1-CZ 3.67Å; Y217-F366 HydrophobicContact CE1-CE1 4.07Å; Y217-F366 HydrophobicContact CE1-CE2 4.24Å; Y217-F366 AromaticContact CE1-CZ 3.35Å; Y217-F366 HydrophobicContact CE1-CZ 3.35Å; Y217-F366 AromaticContact CZ-CZ 3.95Å
218F94.8Very high92.4Very high14 Ų1418 Ų186%0.0618%0.083CC..Hα-helixtrans-76.1-38.5-175.2-167-101.6000112.4L214 H215 V216 Q220 S221 Q222 P248 M249 A252 F257 M260 F292L214-F218 VanDerWaalsContact O-CB 3.22Å; L214-F218 WeakPolarHBondContact O-CB 3.49Å; L214-F218 PolarHBondContact O-N 3.42Å; H215-F218 PolarHBondContact O-N 3.02Å; V216-F218 VanDerWaalsContact C-N 3.35Å; V216-F218 PolarHBondContact O-N 3.45Å; F218-Q220 VanDerWaalsContact C-N 3.34Å; F218-Q220 PolarHBondContact O-N 3.46Å; F218-S221 CarbonylContact O-C 3.56Å; F218-S221 WeakPolarHBondContact O-CA 3.46Å; F218-S221 VanDerWaalsContact O-CB 3.3Å; F218-S221 WeakPolarHBondContact O-CB 3.35Å; F218-S221 PolarHBondContact O-N 3.32Å; F218-S221 VanDerWaalsContact O-N 3.11Å; F218-Q222 HydrophobicContact CD1-CG 4.12Å; F218-Q222 HydrophobicContact CE1-CG 3.79Å; F218-Q222 HydrophobicContact CZ-CG 4.25Å; F218-Q222 WeakPolarHBondContact O-CG 3.46Å; F218-Q222 PolarHBondContact O-N 3.46Å; F218-P248 HydrophobicContact CD2-CB 3.92Å; F218-P248 HydrophobicContact CE2-CB 4.11Å; F218-M249 HydrophobicContact CE2-SD 4.01Å; F218-M249 HydrophobicContact CZ-SD 4.28Å; F218-A252 HydrophobicContact CE2-CB 3.65Å; F218-A252 HydrophobicContact CZ-CB 3.64Å; F218-F257 AromaticContact CE1-CE2 3.69Å; F218-F257 HydrophobicContact CE1-CE2 3.69Å; F218-F257 HydrophobicContact CE1-CZ 4.36Å; F218-F257 AromaticContact CZ-CE2 3.92Å; F218-F257 HydrophobicContact CZ-CE2 3.92Å; F218-M260 HydrophobicContact CD1-CE 4.15Å; F218-F292 AromaticContact CZ-CE2 3.88Å; F218-F292 HydrophobicContact CZ-CE2 3.88Å; F218-F292 AromaticContact CZ-CZ 3.94Å; F218-F292 HydrophobicContact CZ-CZ 3.94Å
219D94.6Very high93.1Very high56 Ų5618.3 Ų18.330%0.2999%0.088SC..Hα-helixtrans-62.4-42.2175.3-75.8-9.3000110.7H215 S221 Q222 K223 K264H215-D219 VanDerWaalsContact O-CB 3.28Å; H215-D219 WeakPolarHBondContact O-CB 3.32Å; H215-D219 VanDerWaalsContact O-CG 3.3Å; H215-D219 PolarHBondContact O-N 2.86Å; D219-S221 VanDerWaalsContact C-N 3.32Å; D219-S221 PolarHBondContact O-N 2.85Å; D219-Q222 PolarHBondContact O-N 3.42Å; D219-Q222 VanDerWaalsContact O-N 3.14Å; D219-K223 PolarHBondContact O-N 3.4Å; D219-K264 IonicContact OD1-NZ 3.1Å
220Q96.4Very high93.7Very high3 Ų320.2 Ų20.21%0.01410%0.095CC..Hα-helixtrans-63-39.1172.2-66.3-57.2112.600111.9V216 F218 Q222 K223 L224 F334 P338 Y404V216-Q220 WeakPolarHBondContact O-CB 3.45Å; V216-Q220 WeakPolarHBondContact O-CG 3.37Å; V216-Q220 PolarHBondContact O-N 3.01Å; V216-Q220 VanDerWaalsContact O-N 3.12Å; F218-Q220 VanDerWaalsContact C-N 3.34Å; F218-Q220 PolarHBondContact O-N 3.46Å; Q220-Q222 VanDerWaalsContact C-N 3.26Å; Q220-Q222 PolarHBondContact O-N 2.92Å; Q220-K223 WeakPolarHBondContact O-CB 3.43Å; Q220-K223 PolarHBondContact O-N 3.33Å; Q220-L224 PolarHBondContact O-N 3.23Å; Q220-F334 HydrophobicContact CB-CD1 4.38Å; Q220-F334 HydrophobicContact CB-CE1 4.34Å; Q220-F334 VanDerWaalsContact NE2-CE1 3.28Å; Q220-F334 PolarHBondContact NE2-O 3.36Å; Q220-F334 WeakPolarHBondContact O-CE1 3.4Å; Q220-P338 HydrophobicContact CG-CB 4.19Å; Q220-P338 HydrophobicContact CG-CG 4.08Å; Q220-Y404 PolarHBondContact NE2-OH 3.39Å; Q220-Y404 VanDerWaalsContact NE2-OH 3.12Å
221S97.3Very high94.3Very high0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-63-34174.4-55.90000112Y217 F218 D219 M249 M335Y217-S221 WeakPolarHBondContact O-CB 3.47Å; Y217-S221 PolarHBondContact O-N 3.1Å; Y217-S221 PolarHBondContact O-OG 3.24Å; F218-S221 CarbonylContact O-C 3.56Å; F218-S221 WeakPolarHBondContact O-CA 3.46Å; F218-S221 VanDerWaalsContact O-CB 3.3Å; F218-S221 WeakPolarHBondContact O-CB 3.35Å; F218-S221 PolarHBondContact O-N 3.32Å; F218-S221 VanDerWaalsContact O-N 3.11Å; D219-S221 VanDerWaalsContact C-N 3.32Å; D219-S221 PolarHBondContact O-N 2.85Å; S221-M249 VanDerWaalsContact O-CE 3.28Å; S221-M249 WeakPolarHBondContact O-CE 3.31Å; S221-M335 PolarHBondContact OG-SD 2.95Å
222Q96.4Very high94.9Very high0 Ų019.2 Ų19.20%09%0.091CC..Hα-helixtrans-74-38.3176.5-69.5179.3-57.400112.6F218 D219 Q220 L224 M225 Y226 N272 E275F218-Q222 HydrophobicContact CD1-CG 4.12Å; F218-Q222 HydrophobicContact CE1-CG 3.79Å; F218-Q222 HydrophobicContact CZ-CG 4.25Å; F218-Q222 WeakPolarHBondContact O-CG 3.46Å; F218-Q222 PolarHBondContact O-N 3.46Å; D219-Q222 PolarHBondContact O-N 3.42Å; D219-Q222 VanDerWaalsContact O-N 3.14Å; Q220-Q222 VanDerWaalsContact C-N 3.26Å; Q220-Q222 PolarHBondContact O-N 2.92Å; Q222-L224 PolarHBondContact O-N 3.4Å; Q222-M225 HydrophobicContact CB-CE 4.13Å; Q222-M225 HydrophobicContact CG-CE 3.82Å; Q222-M225 WeakPolarHBondContact O-CA 3.48Å; Q222-M225 WeakPolarHBondContact O-CB 3.49Å; Q222-M225 PolarHBondContact O-N 3.02Å; Q222-Y226 VanDerWaalsContact C-CD1 3.42Å; Q222-Y226 VanDerWaalsContact C-CE1 3.4Å; Q222-Y226 HydrophobicContact CB-CD1 4.24Å; Q222-Y226 HydrophobicContact CB-CE1 3.93Å; Q222-Y226 WeakPolarHBondContact O-CD1 3.47Å; Q222-Y226 WeakPolarHBondContact O-CE1 3.43Å; Q222-Y226 PolarHBondContact O-N 3.12Å; Q222-Y226 VanDerWaalsContact O-N 3.09Å; Q222-N272 PolarHBondContact NE2-ND2 2.69Å; Q222-N272 PolarHBondContact OE1-ND2 2.69Å; Q222-E275 VanDerWaalsContact NE2-CG 3.33Å; Q222-E275 PolarHBondContact NE2-OE1 2.92Å; Q222-E275 PolarHBondContact OE1-OE1 3.42Å
223K96.3Very high95.4Very high7 Ų720.8 Ų20.83%0.0310%0.1CC..Hα-helixtrans-53.9-42.1173.1-78.8-179.1-179.7-175.60112D219 Q220 M225 Y226 E227 F334 E401 Y404D219-K223 PolarHBondContact O-N 3.4Å; Q220-K223 WeakPolarHBondContact O-CB 3.43Å; Q220-K223 PolarHBondContact O-N 3.33Å; K223-M225 PolarHBondContact O-N 3.18Å; K223-M225 VanDerWaalsContact O-N 3.11Å; K223-Y226 HydrophobicContact CB-CE1 4.4Å; K223-Y226 HydrophobicContact CG-CE1 4.01Å; K223-Y226 HydrophobicContact CG-CE2 4.03Å; K223-Y226 VanDerWaalsContact CG-CZ 3.43Å; K223-Y226 WeakPolarHBondContact CG-OH 3.27Å; K223-Y226 PolarHBondContact O-N 3.42Å; K223-E227 WeakPolarHBondContact CG-OE1 3.41Å; K223-E227 WeakPolarHBondContact O-CA 2.81Å; K223-E227 VanDerWaalsContact O-CB 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 PolarHBondContact O-N 3.03Å; K223-F334 HydrophobicContact CB-CE1 3.75Å; K223-F334 HydrophobicContact CB-CZ 4Å; K223-F334 HydrophobicContact CD-CE1 4.36Å; K223-F334 HydrophobicContact CD-CZ 4Å; K223-E401 IonicContact NZ-OE2 2.72Å; K223-E401 PolarHBondContact NZ-OE2 3.35Å; K223-Y404 PolarHBondContact NZ-OH 3.15Å
224L97.6Very high95.7Very high0 Ų024.5 Ų24.50%012%0.117CC..Hα-helixtrans-54.3-33174-67.5171.1000113Q220 Q222 Y228 G229 Y230 I235 I325 V331 F334 M335Q220-L224 PolarHBondContact O-N 3.23Å; Q222-L224 PolarHBondContact O-N 3.4Å; L224-Y228 HydrophobicContact CD2-CD2 4.31Å; L224-Y228 CarbonylContact O-C 3.52Å; L224-Y228 WeakPolarHBondContact O-CB 3.37Å; L224-G229 PolarHBondContact O-N 3.48Å; L224-G229 VanDerWaalsContact O-N 3.17Å; L224-Y230 HydrophobicContact CB-CD2 4.22Å; L224-Y230 HydrophobicContact CB-CG 4.49Å; L224-Y230 HydrophobicContact CD2-CD2 4.22Å; L224-Y230 HydrophobicContact CD2-CE2 4.33Å; L224-Y230 WeakPolarHBondContact O-CB 3.47Å; L224-Y230 WeakPolarHBondContact O-CD2 3.27Å; L224-Y230 PolarHBondContact O-N 3.05Å; L224-I235 HydrophobicContact CB-CD1 3.75Å; L224-I235 HydrophobicContact CB-CG1 4.28Å; L224-I235 HydrophobicContact CD1-CD1 4.39Å; L224-I235 HydrophobicContact CD1-CG1 4.3Å; L224-I235 HydrophobicContact CD1-CG2 4.25Å; L224-I325 HydrophobicContact CD2-CG2 4.29Å; L224-V331 HydrophobicContact CD1-CG1 3.77Å; L224-V331 HydrophobicContact CD2-CG2 4.31Å; L224-F334 HydrophobicContact CD2-CD1 3.8Å; L224-F334 HydrophobicContact CD2-CE1 4.24Å; L224-F334 HydrophobicContact CG-CD1 3.94Å; L224-F334 HydrophobicContact CG-CE1 4.23Å; L224-M335 HydrophobicContact CD1-CE 4.04Å; L224-M335 HydrophobicContact CD1-CG 3.85Å; L224-M335 HydrophobicContact CD1-SD 3.78Å
225M96.8Very high96.1Very high0 Ų022.8 Ų22.80%011%0.108CC..Hα-helixtrans-78-54.6176-60.9-174.4-78.400112Q222 K223 G229 Y230 P232 I235 M249 I274 F292 I312Q222-M225 HydrophobicContact CB-CE 4.13Å; Q222-M225 HydrophobicContact CG-CE 3.82Å; Q222-M225 WeakPolarHBondContact O-CA 3.48Å; Q222-M225 WeakPolarHBondContact O-CB 3.49Å; Q222-M225 PolarHBondContact O-N 3.02Å; K223-M225 PolarHBondContact O-N 3.18Å; K223-M225 VanDerWaalsContact O-N 3.11Å; M225-G229 VanDerWaalsContact O-CA 3.26Å; M225-G229 WeakPolarHBondContact O-CA 3.48Å; M225-G229 PolarHBondContact O-N 2.79Å; M225-Y230 WeakPolarHBondContact CA-O 3.32Å; M225-Y230 WeakPolarHBondContact CG-O 3.29Å; M225-P232 HydrophobicContact SD-CG 4.18Å; M225-I235 HydrophobicContact CG-CD1 3.56Å; M225-M249 HydrophobicContact CE-CE 3.41Å; M225-M249 VanDerWaalsContact CE-CE 3.41Å; M225-M249 HydrophobicContact CE-SD 3.61Å; M225-M249 HydrophobicContact CG-CE 4.44Å; M225-M249 HydrophobicContact SD-CE 4.01Å; M225-M249 HydrophobicContact SD-SD 4.17Å; M225-I274 HydrophobicContact CE-CG2 4.38Å; M225-F292 HydrophobicContact CE-CD1 4.19Å; M225-F292 HydrophobicContact CE-CE1 3.51Å; M225-F292 HydrophobicContact CE-CZ 4.22Å; M225-F292 HydrophobicContact SD-CD1 4.08Å; M225-F292 HydrophobicContact SD-CE1 3.97Å; M225-I312 HydrophobicContact CB-CD1 4.32Å; M225-I312 HydrophobicContact CB-CG1 4.3Å; M225-I312 HydrophobicContact CB-CG2 4.42Å; M225-I312 HydrophobicContact CG-CD1 4.25Å; M225-I312 WeakPolarHBondContact O-CG2 3.32Å; M225-I312 HydrophobicContact SD-CD1 3.96Å
226Y95.4Very high96.5Very high39 Ų3921.3 Ų21.315%0.15310%0.101CC..Hα-helixtrans-84.7-20.8-170.664-103.4000115.2Q222 K223 N272 I274 V315 S316 A319Q222-Y226 VanDerWaalsContact C-CD1 3.42Å; Q222-Y226 VanDerWaalsContact C-CE1 3.4Å; Q222-Y226 HydrophobicContact CB-CD1 4.24Å; Q222-Y226 HydrophobicContact CB-CE1 3.93Å; Q222-Y226 WeakPolarHBondContact O-CD1 3.47Å; Q222-Y226 WeakPolarHBondContact O-CE1 3.43Å; Q222-Y226 PolarHBondContact O-N 3.12Å; Q222-Y226 VanDerWaalsContact O-N 3.09Å; K223-Y226 HydrophobicContact CB-CE1 4.4Å; K223-Y226 HydrophobicContact CG-CE1 4.01Å; K223-Y226 HydrophobicContact CG-CE2 4.03Å; K223-Y226 VanDerWaalsContact CG-CZ 3.43Å; K223-Y226 WeakPolarHBondContact CG-OH 3.27Å; K223-Y226 PolarHBondContact O-N 3.42Å; Y226-N272 HydrophobicContact CE1-CB 4Å; Y226-I274 HydrophobicContact CD1-CG1 4.21Å; Y226-I274 HydrophobicContact CG-CG1 4.49Å; Y226-V315 VanDerWaalsContact CB-CG1 3.49Å; Y226-S316 VanDerWaalsContact O-CA 3.26Å; Y226-S316 WeakPolarHBondContact O-CA 3.49Å; Y226-A319 VanDerWaalsContact O-CB 3.27Å; Y226-A319 WeakPolarHBondContact O-CB 3.42Å
227E95.4Very high96.8Very high30 Ų3026 Ų2614%0.1412%0.12CC..THydrogen-bonded Turntrans-97.3-35.9175.9-67.2178-156.200113.1K223 A319 S321K223-E227 WeakPolarHBondContact CG-OE1 3.41Å; K223-E227 WeakPolarHBondContact O-CA 2.81Å; K223-E227 VanDerWaalsContact O-CB 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 PolarHBondContact O-N 3.03Å; E227-A319 HydrophobicContact CB-CB 4.44Å; E227-S321 WeakPolarHBondContact OE2-CB 2.76Å; E227-S321 PolarHBondContact OE2-OG 3.43Å
228Y95.6Very high96.9Very high52 Ų5226.4 Ų26.420%0.20412%0.122CC..THydrogen-bonded Turntrans-115.5-10.3-170.6-58.2-93.2000113.6L224 S321 I323 I325 F334L224-Y228 HydrophobicContact CD2-CD2 4.31Å; L224-Y228 CarbonylContact O-C 3.52Å; L224-Y228 WeakPolarHBondContact O-CB 3.37Å; Y228-S321 WeakPolarHBondContact OH-CB 3.36Å; Y228-S321 PolarHBondContact OH-OG 2.82Å; Y228-I323 WeakPolarHBondContact CE1-O 3.23Å; Y228-I323 WeakPolarHBondContact OH-CB 3.37Å; Y228-I323 PolarHBondContact OH-O 3.34Å; Y228-I323 VanDerWaalsContact OH-O 3.12Å; Y228-I325 HydrophobicContact CD1-CB 3.89Å; Y228-I325 HydrophobicContact CD1-CG1 3.98Å; Y228-I325 HydrophobicContact CE1-CB 3.73Å; Y228-I325 HydrophobicContact CE1-CG1 3.38Å; Y228-I325 HydrophobicContact CE2-CG1 4.22Å; Y228-F334 HydrophobicContact CE2-CE1 4.42Å; Y228-F334 HydrophobicContact CE2-CZ 4.1Å
229G95.8Very high97Very high10 Ų1025.7 Ų25.710%0.10312%0.119CC..  trans76.516.9176.700000115L224 M225 R313L224-G229 PolarHBondContact O-N 3.48Å; L224-G229 VanDerWaalsContact O-N 3.17Å; M225-G229 VanDerWaalsContact O-CA 3.26Å; M225-G229 WeakPolarHBondContact O-CA 3.48Å; M225-G229 PolarHBondContact O-N 2.79Å; G229-R313 PolarHBondContact O-NH1 2.97Å
230Y97.9Very high96.9Very high40 Ų4025.4 Ų25.416%0.15712%0.119CC..  trans-64.8140.8172.3-75.1-95.8000110.7L224 M225 Q234 I235 I238 I325 V331L224-Y230 HydrophobicContact CB-CD2 4.22Å; L224-Y230 HydrophobicContact CB-CG 4.49Å; L224-Y230 HydrophobicContact CD2-CD2 4.22Å; L224-Y230 HydrophobicContact CD2-CE2 4.33Å; L224-Y230 WeakPolarHBondContact O-CB 3.47Å; L224-Y230 WeakPolarHBondContact O-CD2 3.27Å; L224-Y230 PolarHBondContact O-N 3.05Å; M225-Y230 WeakPolarHBondContact CA-O 3.32Å; M225-Y230 WeakPolarHBondContact CG-O 3.29Å; Y230-Q234 HydrophobicContact CD1-CB 4.32Å; Y230-I235 HydrophobicContact CG-CG1 4.42Å; Y230-I238 HydrophobicContact CE1-CD1 4.44Å; Y230-I325 HydrophobicContact CE2-CG2 4.14Å; Y230-V331 HydrophobicContact CE1-CG2 3.81Å; Y230-V331 HydrophobicContact CE2-CG2 4.18Å
231L98.3Very high96.9Very high11 Ų1129.9 Ų29.96%0.05814%0.144CC..  trans-87.8156.1175.1-60-178.8000111.4H233 Q234 I235 E309 I312L231-H233 VanDerWaalsContact C-N 3.27Å; L231-H233 VanDerWaalsContact CD1-CE1 3.45Å; L231-H233 WeakPolarHBondContact CD1-CE1 3.39Å; L231-H233 PolarHBondContact O-N 3.39Å; L231-H233 VanDerWaalsContact O-N 3.17Å; L231-Q234 HydrophobicContact CB-CG 4.21Å; L231-Q234 WeakPolarHBondContact O-CB 3.29Å; L231-Q234 PolarHBondContact O-N 3.19Å; L231-I235 PolarHBondContact O-N 3.24Å; L231-E309 HydrophobicContact CD1-CG 4.31Å; L231-E309 HydrophobicContact CD2-CB 3.95Å; L231-E309 HydrophobicContact CD2-CG 3.88Å; L231-I312 HydrophobicContact CD2-CB 4.3Å; L231-I312 HydrophobicContact CD2-CD1 3.96Å; L231-I312 HydrophobicContact CD2-CG2 4.18Å
232P98.3Very high96.7Very high7 Ų731.8 Ų31.85%0.04515%0.152CC..Hα-helixtrans-54.4-41.8-176.7-29.937.6000113.5M225 Q234 D236 M249 F292 Y293 M308 I312M225-P232 HydrophobicContact SD-CG 4.18Å; P232-Q234 VanDerWaalsContact C-N 3.31Å; P232-Q234 PolarHBondContact O-N 3.1Å; P232-D236 VanDerWaalsContact O-CB 3.27Å; P232-D236 WeakPolarHBondContact O-CB 3.19Å; P232-D236 VanDerWaalsContact O-CG 3.27Å; P232-D236 PolarHBondContact O-N 3.38Å; P232-M249 HydrophobicContact CB-CB 3.86Å; P232-M249 HydrophobicContact CB-CG 3.87Å; P232-F292 HydrophobicContact CB-CB 4.1Å; P232-F292 HydrophobicContact CG-CB 4.06Å; P232-F292 HydrophobicContact CG-CD1 4.22Å; P232-Y293 HydrophobicContact CB-CE2 4.1Å; P232-Y293 PolarHBondContact O-OH 3.31Å; P232-M308 HydrophobicContact CG-CG 4.22Å; P232-I312 HydrophobicContact CG-CD1 4.11Å
233H98.1Very high96.2Very high69 Ų6933.2 Ų33.232%0.31917%0.167SC..Hα-helixtrans-70.4-25.2-179.769.6-94.2000113.4L231 K237 Y293 N304L231-H233 VanDerWaalsContact C-N 3.27Å; L231-H233 VanDerWaalsContact CD1-CE1 3.45Å; L231-H233 WeakPolarHBondContact CD1-CE1 3.39Å; L231-H233 PolarHBondContact O-N 3.39Å; L231-H233 VanDerWaalsContact O-N 3.17Å; H233-K237 WeakPolarHBondContact O-CB 3.36Å; H233-K237 PolarHBondContact O-N 3.11Å; H233-Y293 VanDerWaalsContact CA-OH 3.28Å; H233-Y293 WeakPolarHBondContact CA-OH 3.25Å; H233-Y293 HydrophobicContact CB-CE1 4.1Å; H233-Y293 PolarHBondContact N-OH 2.96Å; H233-N304 PolarHBondContact ND1-OD1 2.66Å
234Q98.3Very high95.9Very high77 Ų7733.2 Ų33.236%0.3617%0.167SC..Hα-helixtrans-74.1-50176.5-61.8176.3-67.300109.8Y230 L231 P232 D236 K237 I238Y230-Q234 HydrophobicContact CD1-CB 4.32Å; L231-Q234 HydrophobicContact CB-CG 4.21Å; L231-Q234 WeakPolarHBondContact O-CB 3.29Å; L231-Q234 PolarHBondContact O-N 3.19Å; P232-Q234 VanDerWaalsContact C-N 3.31Å; P232-Q234 PolarHBondContact O-N 3.1Å; Q234-D236 PolarHBondContact O-N 3.36Å; Q234-K237 PolarHBondContact O-N 3Å; Q234-I238 WeakPolarHBondContact O-CG1 3.38Å; Q234-I238 PolarHBondContact O-N 3.42Å
235I98.3Very high95.3Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-59.7-50177.3-57.9169.4000109.9L224 M225 Y230 L231 K237 I238 I239 P248 M249 M335L224-I235 HydrophobicContact CB-CD1 3.75Å; L224-I235 HydrophobicContact CB-CG1 4.28Å; L224-I235 HydrophobicContact CD1-CD1 4.39Å; L224-I235 HydrophobicContact CD1-CG1 4.3Å; L224-I235 HydrophobicContact CD1-CG2 4.25Å; M225-I235 HydrophobicContact CG-CD1 3.56Å; Y230-I235 HydrophobicContact CG-CG1 4.42Å; L231-I235 PolarHBondContact O-N 3.24Å; I235-K237 PolarHBondContact O-N 3.17Å; I235-I238 PolarHBondContact O-N 3.49Å; I235-I239 WeakPolarHBondContact O-CG1 3.48Å; I235-I239 PolarHBondContact O-N 3.12Å; I235-P248 HydrophobicContact CG2-CG 3.86Å; I235-M249 HydrophobicContact CD1-CE 3.87Å; I235-M249 HydrophobicContact CG2-CE 4.35Å; I235-M335 HydrophobicContact CG2-CE 4.3Å; I235-M335 HydrophobicContact CG2-SD 3.85Å
236D98Very high94.8Very high7 Ų743.4 Ų43.44%0.03722%0.219CC..Hα-helixtrans-62.5-33.6179.4-75.81.3000112P232 Q234 T240 G247 P248 M249 T250 Y293P232-D236 VanDerWaalsContact O-CB 3.27Å; P232-D236 WeakPolarHBondContact O-CB 3.19Å; P232-D236 VanDerWaalsContact O-CG 3.27Å; P232-D236 PolarHBondContact O-N 3.38Å; Q234-D236 PolarHBondContact O-N 3.36Å; D236-T240 WeakPolarHBondContact O-CB 3.16Å; D236-T240 VanDerWaalsContact O-CG2 3.25Å; D236-T240 WeakPolarHBondContact O-CG2 3.3Å; D236-T240 PolarHBondContact O-N 3.13Å; D236-T240 PolarHBondContact O-OG1 3.18Å; D236-G247 VanDerWaalsContact OD1-CA 3.24Å; D236-G247 WeakPolarHBondContact OD1-CA 3.47Å; D236-P248 WeakPolarHBondContact OD1-CD 3.45Å; D236-P248 VanDerWaalsContact OD1-N 3.17Å; D236-M249 WeakPolarHBondContact OD1-CB 3.02Å; D236-M249 PolarHBondContact OD1-N 3.41Å; D236-T250 WeakPolarHBondContact OD2-CB 3.33Å; D236-T250 PolarHBondContact OD2-N 2.61Å; D236-T250 PolarHBondContact OD2-OG1 3Å; D236-Y293 WeakPolarHBondContact CB-OH 3.37Å; D236-Y293 VanDerWaalsContact CG-OH 3.26Å; D236-Y293 VanDerWaalsContact OD2-CE2 3.3Å; D236-Y293 WeakPolarHBondContact OD2-CE2 3.38Å; D236-Y293 PolarHBondContact OD2-OH 3.32Å
237K97.9Very high94.7Very high119 Ų11941.6 Ų41.652%0.51721%0.212SC..Hα-helixtrans-69.9-41.7177.2-174.554.2172151.10111.7H233 Q234 I235 T240 N241H233-K237 WeakPolarHBondContact O-CB 3.36Å; H233-K237 PolarHBondContact O-N 3.11Å; Q234-K237 PolarHBondContact O-N 3Å; I235-K237 PolarHBondContact O-N 3.17Å; K237-T240 WeakPolarHBondContact CA-OG1 3.31Å; K237-T240 PolarHBondContact O-N 2.89Å; K237-T240 PolarHBondContact O-OG1 2.84Å; K237-T240 VanDerWaalsContact O-OG1 3.1Å; K237-N241 VanDerWaalsContact CE-OD1 3.27Å; K237-N241 WeakPolarHBondContact CE-OD1 3.15Å; K237-N241 PolarHBondContact NZ-OD1 3.38Å; K237-N241 VanDerWaalsContact O-CB 3.29Å; K237-N241 WeakPolarHBondContact O-CB 3.36Å; K237-N241 PolarHBondContact O-N 3.45Å; K237-N241 PolarHBondContact O-ND2 3.28Å; K237-N241 PolarHBondContact O-OD1 3.37Å
238I98Very high94.7Very high13 Ų1340.3 Ų40.37%0.06721%0.207CC..Hα-helixtrans-62.1-46.4175.8-68.3165.3000110.3Y230 Q234 I235 T240 N241 F242 D328 V331 I332Y230-I238 HydrophobicContact CE1-CD1 4.44Å; Q234-I238 WeakPolarHBondContact O-CG1 3.38Å; Q234-I238 PolarHBondContact O-N 3.42Å; I235-I238 PolarHBondContact O-N 3.49Å; I238-T240 PolarHBondContact O-N 3.15Å; I238-N241 PolarHBondContact O-N 3.13Å; I238-F242 PolarHBondContact O-N 2.89Å; I238-D328 HydrophobicContact CD1-CB 4.36Å; I238-D328 HydrophobicContact CG1-CB 4.28Å; I238-D328 HydrophobicContact CG2-CB 4.38Å; I238-V331 HydrophobicContact CB-CG1 4.33Å; I238-V331 HydrophobicContact CD1-CB 4.11Å; I238-V331 HydrophobicContact CD1-CG1 3.77Å; I238-V331 HydrophobicContact CD1-CG2 4.14Å; I238-V331 HydrophobicContact CG2-CB 4.28Å; I238-V331 HydrophobicContact CG2-CG1 3.83Å; I238-I332 HydrophobicContact CG2-CD1 3.56Å; I238-I332 HydrophobicContact CG2-CG1 3.7Å
239I95.6Very high94.8Very high0 Ų037.9 Ų37.90%020%0.197CC..Hα-helixtrans-63.1-42.7177.5-74.3-65.3000112.6Y217 I235 F242 G243 F244 I332 M335Y217-I239 HydrophobicContact CE2-CD1 4.12Å; Y217-I239 WeakPolarHBondContact OH-CD1 3.32Å; I235-I239 WeakPolarHBondContact O-CG1 3.48Å; I235-I239 PolarHBondContact O-N 3.12Å; I239-F242 WeakPolarHBondContact O-CB 3.43Å; I239-F242 PolarHBondContact O-N 3.1Å; I239-G243 PolarHBondContact O-N 3.14Å; I239-F244 HydrophobicContact CD1-CD2 4.46Å; I239-F244 HydrophobicContact CD1-CE2 4.41Å; I239-F244 HydrophobicContact CG2-CB 3.55Å; I239-F244 HydrophobicContact CG2-CD2 3.59Å; I239-F244 HydrophobicContact CG2-CE2 4.42Å; I239-F244 HydrophobicContact CG2-CG 3.7Å; I239-F244 WeakPolarHBondContact O-CD2 2.97Å; I239-F244 PolarHBondContact O-N 2.79Å; I239-I332 HydrophobicContact CD1-CD1 3.96Å; I239-M335 HydrophobicContact CD1-CE 3.33Å; I239-M335 HydrophobicContact CD1-SD 3.79Å; I239-M335 HydrophobicContact CG1-CE 3.6Å; I239-M335 HydrophobicContact CG1-SD 3.93Å
240T94.3Very high94.7Very high49 Ų4937.7 Ų37.730%0.30119%0.194SC..Hα-helixtrans-71.6-32.9177.351.50000112.5D236 K237 I238 F242 G243 F244D236-T240 WeakPolarHBondContact O-CB 3.16Å; D236-T240 VanDerWaalsContact O-CG2 3.25Å; D236-T240 WeakPolarHBondContact O-CG2 3.3Å; D236-T240 PolarHBondContact O-N 3.13Å; D236-T240 PolarHBondContact O-OG1 3.18Å; K237-T240 WeakPolarHBondContact CA-OG1 3.31Å; K237-T240 PolarHBondContact O-N 2.89Å; K237-T240 PolarHBondContact O-OG1 2.84Å; K237-T240 VanDerWaalsContact O-OG1 3.1Å; I238-T240 PolarHBondContact O-N 3.15Å; T240-F242 VanDerWaalsContact C-N 3.31Å; T240-G243 WeakPolarHBondContact O-CA 3.41Å; T240-G243 PolarHBondContact O-N 3.39Å; T240-G243 VanDerWaalsContact O-N 3.15Å; T240-F244 WeakPolarHBondContact CA-O 3.43Å
241N95.3Very high94.3Very high98 Ų9837.6 Ų37.652%0.52420%0.197SC..Hα-helixtrans-64.9-35.4171.6-72.6-10.1000112K237 I238 G243K237-N241 VanDerWaalsContact CE-OD1 3.27Å; K237-N241 WeakPolarHBondContact CE-OD1 3.15Å; K237-N241 PolarHBondContact NZ-OD1 3.38Å; K237-N241 VanDerWaalsContact O-CB 3.29Å; K237-N241 WeakPolarHBondContact O-CB 3.36Å; K237-N241 PolarHBondContact O-N 3.45Å; K237-N241 PolarHBondContact O-ND2 3.28Å; K237-N241 PolarHBondContact O-OD1 3.37Å; I238-N241 PolarHBondContact O-N 3.13Å; N241-G243 PolarHBondContact O-N 2.77Å
242F92.3Very high94.1Very high39 Ų3937.6 Ų37.617%0.17120%0.199CC..Hα-helixtrans-65.1-28.7172.9179.3-94.4000112.4I238 I239 T240 F244 I332 L336 P369 H371 F378I238-F242 PolarHBondContact O-N 2.89Å; I239-F242 WeakPolarHBondContact O-CB 3.43Å; I239-F242 PolarHBondContact O-N 3.1Å; T240-F242 VanDerWaalsContact C-N 3.31Å; F242-F244 AromaticContact CD1-CD2 3.76Å; F242-F244 HydrophobicContact CD1-CD2 3.76Å; F242-F244 AromaticContact CD1-CE2 3.51Å; F242-F244 HydrophobicContact CD1-CE2 3.51Å; F242-F244 HydrophobicContact CE1-CD2 4.45Å; F242-F244 AromaticContact CE1-CE2 3.82Å; F242-F244 HydrophobicContact CE1-CE2 3.82Å; F242-I332 HydrophobicContact CB-CD1 3.64Å; F242-I332 HydrophobicContact CB-CG1 4.45Å; F242-I332 HydrophobicContact CD2-CD1 4.1Å; F242-I332 HydrophobicContact CD2-CG1 4.27Å; F242-I332 HydrophobicContact CD2-CG2 3.82Å; F242-I332 HydrophobicContact CE2-CG2 3.86Å; F242-I332 HydrophobicContact CG-CD1 3.95Å; F242-L336 HydrophobicContact CD1-CD1 4.22Å; F242-L336 HydrophobicContact CE1-CD1 3.6Å; F242-L336 HydrophobicContact CE2-CD1 4.14Å; F242-L336 HydrophobicContact CZ-CD1 3.55Å; F242-P369 HydrophobicContact CD1-CG 3.84Å; F242-P369 HydrophobicContact CE1-CG 3.92Å; F242-H371 PolarHBondContact O-CE1 3.33Å; F242-H371 VanDerWaalsContact O-CE1 3.26Å; F242-H371 PolarHBondContact O-NE2 2.97Å; F242-F378 HydrophobicContact CE2-CD2 4.35Å; F242-F378 AromaticContact CE2-CE2 3.72Å; F242-F378 HydrophobicContact CE2-CE2 3.72Å; F242-F378 HydrophobicContact CE2-CZ 4.22Å; F242-F378 AromaticContact CZ-CD2 3.75Å; F242-F378 HydrophobicContact CZ-CD2 3.75Å; F242-F378 AromaticContact CZ-CE2 3.53Å; F242-F378 HydrophobicContact CZ-CE2 3.53Å; F242-F378 HydrophobicContact CZ-CG 4.47Å; F242-F378 HydrophobicContact CZ-CZ 4.09Å
243G87.8Confident93.9Very high31 Ų3137.3 Ų37.332%0.3220%0.197SC..THydrogen-bonded Turntrans133.73.3169.200000115.4I239 T240 N241 P369I239-G243 PolarHBondContact O-N 3.14Å; T240-G243 WeakPolarHBondContact O-CA 3.41Å; T240-G243 PolarHBondContact O-N 3.39Å; T240-G243 VanDerWaalsContact O-N 3.15Å; N241-G243 PolarHBondContact O-N 2.77Å; G243-P369 VanDerWaalsContact C-CG 3.44Å; G243-P369 WeakPolarHBondContact O-CB 3.18Å
244F88.6Confident93.3Very high7 Ų738 Ų383%0.03120%0.202CC..  trans-71.1148.6177.1-73.9-93.1000110.2I239 T240 F242 M246 L336 F366 W368 P369I239-F244 HydrophobicContact CD1-CD2 4.46Å; I239-F244 HydrophobicContact CD1-CE2 4.41Å; I239-F244 HydrophobicContact CG2-CB 3.55Å; I239-F244 HydrophobicContact CG2-CD2 3.59Å; I239-F244 HydrophobicContact CG2-CE2 4.42Å; I239-F244 HydrophobicContact CG2-CG 3.7Å; I239-F244 WeakPolarHBondContact O-CD2 2.97Å; I239-F244 PolarHBondContact O-N 2.79Å; T240-F244 WeakPolarHBondContact CA-O 3.43Å; F242-F244 AromaticContact CD1-CD2 3.76Å; F242-F244 HydrophobicContact CD1-CD2 3.76Å; F242-F244 AromaticContact CD1-CE2 3.51Å; F242-F244 HydrophobicContact CD1-CE2 3.51Å; F242-F244 HydrophobicContact CE1-CD2 4.45Å; F242-F244 AromaticContact CE1-CE2 3.82Å; F242-F244 HydrophobicContact CE1-CE2 3.82Å; F244-M246 VanDerWaalsContact C-N 3.3Å; F244-M246 PolarHBondContact O-N 3.42Å; F244-L336 HydrophobicContact CE2-CD1 4.47Å; F244-L336 HydrophobicContact CE2-CD2 4.33Å; F244-L336 HydrophobicContact CZ-CD2 4.28Å; F244-F366 HydrophobicContact CD1-CD1 4.14Å; F244-F366 AromaticContact CD1-CE1 3.8Å; F244-F366 HydrophobicContact CD1-CE1 3.8Å; F244-F366 AromaticContact CE1-CD1 3.63Å; F244-F366 HydrophobicContact CE1-CD1 3.63Å; F244-F366 AromaticContact CE1-CE1 3.38Å; F244-F366 HydrophobicContact CE1-CE1 3.38Å; F244-F366 HydrophobicContact CZ-CE1 4.27Å; F244-W368 HydrophobicContact CE1-CB 4.31Å; F244-W368 AromaticContact CE1-CD2 3.89Å; F244-W368 HydrophobicContact CE1-CD2 3.89Å; F244-W368 AromaticContact CE1-CE3 3.55Å; F244-W368 HydrophobicContact CE1-CE3 3.55Å; F244-W368 HydrophobicContact CE1-CG 4.26Å; F244-W368 HydrophobicContact CE1-CZ3 4.13Å; F244-W368 AromaticContact CZ-CD2 3.72Å; F244-W368 HydrophobicContact CZ-CD2 3.72Å; F244-W368 AromaticContact CZ-CE3 3.42Å; F244-W368 HydrophobicContact CZ-CE3 3.42Å; F244-W368 VanDerWaalsContact CZ-CE3 3.42Å; F244-W368 HydrophobicContact CZ-CG 4.42Å; F244-W368 HydrophobicContact CZ-CH2 4.04Å; F244-W368 HydrophobicContact CZ-CZ2 4.28Å; F244-W368 AromaticContact CZ-CZ3 3.6Å; F244-W368 HydrophobicContact CZ-CZ3 3.6Å; F244-P369 HydrophobicContact CD1-CG 4.36Å; F244-P369 HydrophobicContact CD2-CG 3.76Å; F244-P369 HydrophobicContact CE1-CG 4.47Å; F244-P369 HydrophobicContact CE2-CG 3.95Å; F244-P369 HydrophobicContact CG-CG 4Å; F244-P369 HydrophobicContact CZ-CG 4.31Å
245L84.7Confident92.7Very high142 Ų14238.5 Ų38.574%0.74321%0.207SC*.SBendtrans-64.9-37.1177.5-176.263.2000112
246M87.2Confident92.3Very high71 Ų7138.7 Ų38.735%0.3521%0.209SC..SBendtrans-144147.7-179.9-62.2-173.8-168.500110F244 T250 V251 M254F244-M246 VanDerWaalsContact C-N 3.3Å; F244-M246 PolarHBondContact O-N 3.42Å; M246-T250 HydrophobicContact CB-CG2 4.14Å; M246-T250 HydrophobicContact CG-CG2 4.26Å; M246-T250 HydrophobicContact SD-CG2 3.93Å; M246-V251 HydrophobicContact CB-CG2 3.77Å; M246-M254 HydrophobicContact CE-CE 3.77Å; M246-M254 HydrophobicContact SD-CE 3.33Å; M246-M254 WeakPolarHBondContact SD-CE 3.24Å
247G93.3Very high92.1Very high1 Ų138.4 Ų38.41%0.0121%0.207CC..  trans-76.7163.1172.500000113.7D236 M249 T250 V251D236-G247 VanDerWaalsContact OD1-CA 3.24Å; D236-G247 WeakPolarHBondContact OD1-CA 3.47Å; G247-M249 VanDerWaalsContact C-N 3.28Å; G247-M249 PolarHBondContact O-N 3.37Å; G247-T250 PolarHBondContact O-N 3.27Å; G247-V251 WeakPolarHBondContact O-CG2 3.5Å; G247-V251 PolarHBondContact O-N 3.31Å
248P94.8Very high91.7Very high4 Ų434.7 Ų34.73%0.02619%0.193CC..Hα-helixtrans-54-42.7-17517.4-27.9000112.8Y217 F218 I235 D236 V251 A252Y217-P248 HydrophobicContact CE1-CB 3.7Å; Y217-P248 HydrophobicContact CE1-CG 4.29Å; Y217-P248 WeakPolarHBondContact OH-CD 3.46Å; F218-P248 HydrophobicContact CD2-CB 3.92Å; F218-P248 HydrophobicContact CE2-CB 4.11Å; I235-P248 HydrophobicContact CG2-CG 3.86Å; D236-P248 WeakPolarHBondContact OD1-CD 3.45Å; D236-P248 VanDerWaalsContact OD1-N 3.17Å; P248-V251 PolarHBondContact O-N 2.89Å; P248-A252 PolarHBondContact O-N 2.96Å
249M97.3Very high91.2Very high0 Ų038.1 Ų38.10%021%0.214CC..Hα-helixtrans-73.4-38.2-173.8-49.9-49.4164.600110.8F218 S221 M225 P232 I235 D236 G247 V251 A252 D253 F292 Y293F218-M249 HydrophobicContact CE2-SD 4.01Å; F218-M249 HydrophobicContact CZ-SD 4.28Å; S221-M249 VanDerWaalsContact O-CE 3.28Å; S221-M249 WeakPolarHBondContact O-CE 3.31Å; M225-M249 HydrophobicContact CE-CE 3.41Å; M225-M249 VanDerWaalsContact CE-CE 3.41Å; M225-M249 HydrophobicContact CE-SD 3.61Å; M225-M249 HydrophobicContact CG-CE 4.44Å; M225-M249 HydrophobicContact SD-CE 4.01Å; M225-M249 HydrophobicContact SD-SD 4.17Å; P232-M249 HydrophobicContact CB-CB 3.86Å; P232-M249 HydrophobicContact CB-CG 3.87Å; I235-M249 HydrophobicContact CD1-CE 3.87Å; I235-M249 HydrophobicContact CG2-CE 4.35Å; D236-M249 WeakPolarHBondContact OD1-CB 3.02Å; D236-M249 PolarHBondContact OD1-N 3.41Å; G247-M249 VanDerWaalsContact C-N 3.28Å; G247-M249 PolarHBondContact O-N 3.37Å; M249-V251 VanDerWaalsContact C-N 3.32Å; M249-V251 PolarHBondContact O-N 3.48Å; M249-A252 PolarHBondContact O-N 3.19Å; M249-D253 PolarHBondContact O-N 3.43Å; M249-D253 VanDerWaalsContact O-N 3.07Å; M249-F292 HydrophobicContact CB-CB 3.86Å; M249-F292 HydrophobicContact CB-CD1 4.41Å; M249-F292 HydrophobicContact CB-CD2 4.01Å; M249-F292 HydrophobicContact CB-CG 3.83Å; M249-F292 HydrophobicContact CG-CD1 4.46Å; M249-F292 HydrophobicContact CG-CG 4.35Å; M249-F292 HydrophobicContact SD-CD1 4.11Å; M249-F292 HydrophobicContact SD-CD2 4.32Å; M249-F292 HydrophobicContact SD-CE1 3.99Å; M249-F292 HydrophobicContact SD-CE2 4.19Å; M249-F292 HydrophobicContact SD-CG 4.28Å; M249-F292 HydrophobicContact SD-CZ 4.02Å; M249-Y293 HydrophobicContact CB-CE2 4Å
250T93.6Very high90.7Very high6 Ų639.4 Ų39.44%0.03722%0.221CC..Hα-helixtrans-61.5-40.5172.5-650000111.7D236 M246 G247 M254 Y293 K302D236-T250 WeakPolarHBondContact OD2-CB 3.33Å; D236-T250 PolarHBondContact OD2-N 2.61Å; D236-T250 PolarHBondContact OD2-OG1 3Å; M246-T250 HydrophobicContact CB-CG2 4.14Å; M246-T250 HydrophobicContact CG-CG2 4.26Å; M246-T250 HydrophobicContact SD-CG2 3.93Å; G247-T250 PolarHBondContact O-N 3.27Å; T250-M254 PolarHBondContact O-N 3.46Å; T250-M254 VanDerWaalsContact O-N 3.17Å; T250-Y293 WeakPolarHBondContact OG1-CE2 3.29Å; T250-K302 HydrophobicContact CG2-CD 4.2Å; T250-K302 PolarHBondContact OG1-NZ 2.84Å
251V91.1Very high90.6Very high38 Ų3839.9 Ų39.923%0.2322%0.22CC..Hα-helixtrans-68.3-45.2178.11730000110.9M246 G247 P248 M249 D253 M254 N255M246-V251 HydrophobicContact CB-CG2 3.77Å; G247-V251 WeakPolarHBondContact O-CG2 3.5Å; G247-V251 PolarHBondContact O-N 3.31Å; P248-V251 PolarHBondContact O-N 2.89Å; M249-V251 VanDerWaalsContact C-N 3.32Å; M249-V251 PolarHBondContact O-N 3.48Å; V251-D253 VanDerWaalsContact C-N 3.33Å; V251-D253 PolarHBondContact O-N 2.98Å; V251-M254 WeakPolarHBondContact O-CB 3.44Å; V251-M254 PolarHBondContact O-N 3.26Å; V251-M254 VanDerWaalsContact O-N 3.08Å; V251-N255 PolarHBondContact O-N 3.47Å
252A93.3Very high90.1Very high11 Ų1140 Ų409%0.09122%0.216CC..Hα-helixtrans-58.1-44.1177.500000112.3F218 P248 M249 M254 N255 G256 F257 F292F218-A252 HydrophobicContact CE2-CB 3.65Å; F218-A252 HydrophobicContact CZ-CB 3.64Å; P248-A252 PolarHBondContact O-N 2.96Å; M249-A252 PolarHBondContact O-N 3.19Å; A252-M254 VanDerWaalsContact C-N 3.29Å; A252-M254 PolarHBondContact O-N 3.23Å; A252-N255 PolarHBondContact O-N 2.99Å; A252-G256 CarbonylContact O-C 3.2Å; A252-G256 PolarHBondContact O-N 2.94Å; A252-F257 HydrophobicContact CB-CD2 4.27Å; A252-F292 HydrophobicContact CB-CD2 4.12Å; A252-F292 HydrophobicContact CB-CE2 3.76Å
253D94Very high89.5Confident1 Ų139.6 Ų39.61%0.00522%0.215CC..Hα-helixtrans-67.8-28.7176.7-80.9-1.4000113.4M249 V251 G285 R286 G291 F292 Y293 Y295M249-D253 PolarHBondContact O-N 3.43Å; M249-D253 VanDerWaalsContact O-N 3.07Å; V251-D253 VanDerWaalsContact C-N 3.33Å; V251-D253 PolarHBondContact O-N 2.98Å; D253-G285 WeakPolarHBondContact O-CA 3.43Å; D253-R286 PolarHBondContact O-N 3.38Å; D253-G291 VanDerWaalsContact OD1-CA 3.3Å; D253-G291 WeakPolarHBondContact OD1-CA 3.26Å; D253-F292 VanDerWaalsContact CG-N 3.34Å; D253-F292 WeakPolarHBondContact OD1-CD2 3.46Å; D253-F292 PolarHBondContact OD1-N 3Å; D253-F292 PolarHBondContact OD2-N 3.31Å; D253-Y293 PolarHBondContact OD2-N 3.5Å; D253-Y295 HydrophobicContact CB-CE2 3.94Å; D253-Y295 WeakPolarHBondContact CB-OH 3.43Å; D253-Y295 PolarHBondContact OD2-OH 2.97Å; D253-Y295 VanDerWaalsContact OD2-OH 3.09Å
254M86.4Confident89.4Confident85 Ų8539 Ų3942%0.41920%0.203SC..Hα-helixtrans-72.2-42.4176.3-174.5178.5-53.300111.8M246 T250 V251 A252M246-M254 HydrophobicContact CE-CE 3.77Å; M246-M254 HydrophobicContact SD-CE 3.33Å; M246-M254 WeakPolarHBondContact SD-CE 3.24Å; T250-M254 PolarHBondContact O-N 3.46Å; T250-M254 VanDerWaalsContact O-N 3.17Å; V251-M254 WeakPolarHBondContact O-CB 3.44Å; V251-M254 PolarHBondContact O-N 3.26Å; V251-M254 VanDerWaalsContact O-N 3.08Å; A252-M254 VanDerWaalsContact C-N 3.29Å; A252-M254 PolarHBondContact O-N 3.23Å
255N84.9Confident89.1Confident87 Ų8747.1 Ų47.147%0.46524%0.238SC..Hα-helixtrans-75.1-30.9-178.2-70.7-12.6000112.3V251 A252V251-N255 PolarHBondContact O-N 3.47Å; A252-N255 PolarHBondContact O-N 2.99Å
256G89.7Confident88.6Confident4 Ų444.8 Ų44.84%0.04122%0.224CC..  trans104.1112.4-174.300000110.4A252 D258 V259 Y284A252-G256 CarbonylContact O-C 3.2Å; A252-G256 PolarHBondContact O-N 2.94Å; G256-D258 PolarHBondContact O-N 2.97Å; G256-V259 WeakPolarHBondContact O-CB 3.47Å; G256-V259 WeakPolarHBondContact O-CG2 3.1Å; G256-V259 PolarHBondContact O-N 3.41Å; G256-V259 VanDerWaalsContact O-N 3.17Å; G256-Y284 CarbonylContact C-O 3.59Å; G256-Y284 VanDerWaalsContact CA-O 3.27Å; G256-Y284 WeakPolarHBondContact CA-O 3.46Å
257F94.1Very high87.9Confident1 Ų145.3 Ų45.30%0.00423%0.228CC..THydrogen-bonded Turntrans-73.9-10.8-175.2-161.9-129.5000113.7F218 A252 V259 M260 E261 E275 M278 W279 Y284 F292F218-F257 AromaticContact CE1-CE2 3.69Å; F218-F257 HydrophobicContact CE1-CE2 3.69Å; F218-F257 HydrophobicContact CE1-CZ 4.36Å; F218-F257 AromaticContact CZ-CE2 3.92Å; F218-F257 HydrophobicContact CZ-CE2 3.92Å; A252-F257 HydrophobicContact CB-CD2 4.27Å; F257-V259 PolarHBondContact O-N 2.69Å; F257-M260 HydrophobicContact CD2-CB 4.17Å; F257-M260 HydrophobicContact CD2-CG 4.04Å; F257-M260 HydrophobicContact CE2-CB 4.07Å; F257-M260 HydrophobicContact CE2-CG 4.02Å; F257-M260 PolarHBondContact O-N 2.68Å; F257-E261 PolarHBondContact O-N 2.96Å; F257-E275 HydrophobicContact CE1-CG 4.16Å; F257-E275 HydrophobicContact CZ-CG 3.7Å; F257-M278 HydrophobicContact CD1-CB 4.26Å; F257-M278 HydrophobicContact CD1-CE 3.78Å; F257-M278 HydrophobicContact CD1-SD 4.29Å; F257-M278 HydrophobicContact CE1-CB 4.1Å; F257-M278 HydrophobicContact CE1-CE 4Å; F257-M278 HydrophobicContact CE1-SD 3.9Å; F257-W279 AromaticContact CD1-CD1 3.68Å; F257-W279 AromaticContact CD1-NE1 3.24Å; F257-W279 AromaticContact CE1-CD1 3.83Å; F257-W279 AromaticContact CE1-NE1 3.18Å; F257-W279 AromaticContact CG-NE1 3.99Å; F257-W279 HydrophobicContact CZ-CZ2 4.49Å; F257-W279 AromaticContact CZ-NE1 3.87Å; F257-W279 PolarHBondContact O-NE1 3.19Å; F257-Y284 PolarHBondContact N-O 2.81Å; F257-F292 HydrophobicContact CD2-CE2 4.08Å; F257-F292 HydrophobicContact CE1-CE2 4.48Å; F257-F292 HydrophobicContact CE1-CZ 4.18Å; F257-F292 HydrophobicContact CE2-CE2 4.05Å; F257-F292 HydrophobicContact CE2-CZ 4.08Å; F257-F292 HydrophobicContact CG-CE2 4.33Å; F257-F292 HydrophobicContact CZ-CE2 4.23Å; F257-F292 AromaticContact CZ-CZ 3.87Å; F257-F292 HydrophobicContact CZ-CZ 3.87Å
258D90.2Very high87.2Confident40 Ų4048.4 Ų48.421%0.21426%0.26CS..Hα-helixtrans-68.1-22.6170.258-48.2000113.1G256 M260 E261 K262 Y284 K287G256-D258 PolarHBondContact O-N 2.97Å; D258-M260 VanDerWaalsContact C-N 3.28Å; D258-M260 PolarHBondContact O-N 3.06Å; D258-E261 PolarHBondContact O-N 2.74Å; D258-K262 WeakPolarHBondContact O-CB 3.31Å; D258-K262 PolarHBondContact O-N 3.15Å; D258-Y284 HydrophobicContact CB-CD1 3.56Å; D258-Y284 HydrophobicContact CB-CD2 4Å; D258-Y284 HydrophobicContact CB-CE1 3.74Å; D258-Y284 HydrophobicContact CB-CE2 4.19Å; D258-Y284 HydrophobicContact CB-CG 3.68Å; D258-K287 VanDerWaalsContact CG-NZ 3.3Å; D258-K287 WeakPolarHBondContact OD1-CD 3.34Å; D258-K287 IonicContact OD1-NZ 3.37Å; D258-K287 PolarHBondContact OD1-NZ 3.5Å; D258-K287 IonicContact OD2-NZ 3.72Å; D258-K287 PolarHBondContact OD2-NZ 2.74Å
259V85.9Confident86.6Confident85 Ų8552.9 Ų52.952%0.51528%0.283SS..Hα-helixtrans-62.2-41.2174.5178.60000110.1G256 F257 K262 L263G256-V259 WeakPolarHBondContact O-CB 3.47Å; G256-V259 WeakPolarHBondContact O-CG2 3.1Å; G256-V259 PolarHBondContact O-N 3.41Å; G256-V259 VanDerWaalsContact O-N 3.17Å; F257-V259 PolarHBondContact O-N 2.69Å; V259-K262 PolarHBondContact O-N 3.49Å; V259-L263 WeakPolarHBondContact O-CB 3.3Å; V259-L263 PolarHBondContact O-N 3.42Å
260M86.5Confident86.1Confident28 Ų2859.8 Ų59.814%0.13832%0.316CS..Hα-helixtrans-68-39.8176.2-64.9-63.9-76.200111.9F218 F257 D258 K262 L263 K264 W279F218-M260 HydrophobicContact CD1-CE 4.15Å; F257-M260 HydrophobicContact CD2-CB 4.17Å; F257-M260 HydrophobicContact CD2-CG 4.04Å; F257-M260 HydrophobicContact CE2-CB 4.07Å; F257-M260 HydrophobicContact CE2-CG 4.02Å; F257-M260 PolarHBondContact O-N 2.68Å; D258-M260 VanDerWaalsContact C-N 3.28Å; D258-M260 PolarHBondContact O-N 3.06Å; M260-K262 VanDerWaalsContact C-N 3.35Å; M260-K262 PolarHBondContact O-N 3.27Å; M260-L263 PolarHBondContact O-N 3.15Å; M260-K264 PolarHBondContact O-N 3.21Å; M260-W279 HydrophobicContact CB-CZ2 4.15Å
261E90.6Very high86.1Confident59 Ų5960.9 Ų60.928%0.27632%0.323SS..Hα-helixtrans-58.1-48.4174.3-177.3176.6-168.400111.2F257 D258 K265 W279 Y284F257-E261 PolarHBondContact O-N 2.96Å; D258-E261 PolarHBondContact O-N 2.74Å; E261-K265 VanDerWaalsContact O-CB 3.29Å; E261-K265 WeakPolarHBondContact O-CB 3.49Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-W279 VanDerWaalsContact CA-CZ2 3.49Å; E261-W279 HydrophobicContact CB-CD2 3.61Å; E261-W279 HydrophobicContact CB-CE3 3.96Å; E261-W279 HydrophobicContact CB-CG 3.98Å; E261-W279 HydrophobicContact CB-CH2 4.26Å; E261-W279 HydrophobicContact CB-CZ2 3.98Å; E261-W279 HydrophobicContact CB-CZ3 4.21Å; E261-W279 HydrophobicContact CG-CB 4.4Å; E261-W279 HydrophobicContact CG-CD2 3.72Å; E261-W279 HydrophobicContact CG-CE3 3.68Å; E261-W279 HydrophobicContact CG-CG 4.02Å; E261-W279 HydrophobicContact CG-CZ3 4.11Å; E261-Y284 WeakPolarHBondContact OE2-CE1 3.49Å; E261-Y284 VanDerWaalsContact OE2-CZ 3.25Å; E261-Y284 PolarHBondContact OE2-OH 2.86Å
262K84.8Confident86.1Confident101 Ų10160 Ų6044%0.43932%0.317SS..Hα-helixtrans-61.3-48.2179-175.3-179.4168.7-172.40111.2D258 V259 M260 K265 E266D258-K262 WeakPolarHBondContact O-CB 3.31Å; D258-K262 PolarHBondContact O-N 3.15Å; V259-K262 PolarHBondContact O-N 3.49Å; M260-K262 VanDerWaalsContact C-N 3.35Å; M260-K262 PolarHBondContact O-N 3.27Å; K262-K265 PolarHBondContact O-N 2.7Å; K262-E266 WeakPolarHBondContact CE-OE1 3.24Å; K262-E266 IonicContact NZ-OE1 2.86Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 3.07Å
263L80.9Confident86.2Confident29 Ų2962.5 Ų62.515%0.15233%0.332CS..Hα-helixtrans-61-46.5-179.9-177.571.7000112.3H215 V259 M260 K265 E266 N267H215-L263 WeakPolarHBondContact CE1-CD2 3.45Å; H215-L263 WeakPolarHBondContact NE2-CD2 3.49Å; V259-L263 WeakPolarHBondContact O-CB 3.3Å; V259-L263 PolarHBondContact O-N 3.42Å; M260-L263 PolarHBondContact O-N 3.15Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 3.23Å; L263-E266 PolarHBondContact O-N 3.42Å; L263-N267 VanDerWaalsContact CD1-ND2 3.35Å; L263-N267 WeakPolarHBondContact CD1-ND2 3.43Å; L263-N267 WeakPolarHBondContact O-CB 3.26Å; L263-N267 PolarHBondContact O-N 3.44Å; L263-N267 VanDerWaalsContact O-N 3.12Å; L263-N267 PolarHBondContact O-ND2 2.98Å
264K84.5Confident86.2Confident19 Ų1962.5 Ų62.58%0.08333%0.332CS..Hα-helixtrans-65.9-38.3178.8-69.5-153.5-175179.70111.3D219 M260 N267 G268 L269 E275 W279D219-K264 IonicContact OD1-NZ 3.1Å; M260-K264 PolarHBondContact O-N 3.21Å; K264-N267 PolarHBondContact O-N 2.81Å; K264-G268 PolarHBondContact O-N 2.93Å; K264-L269 HydrophobicContact CB-CB 4.01Å; K264-L269 HydrophobicContact CD-CB 4.17Å; K264-L269 HydrophobicContact CG-CB 4.08Å; K264-L269 HydrophobicContact CG-CD1 4.44Å; K264-L269 PolarHBondContact O-N 3.09Å; K264-E275 VanDerWaalsContact CE-OE1 3.28Å; K264-E275 WeakPolarHBondContact CE-OE1 3.4Å; K264-E275 IonicContact NZ-OE1 2.74Å; K264-E275 PolarHBondContact NZ-OE1 2.74Å; K264-E275 IonicContact NZ-OE2 3.82Å; K264-E275 PolarHBondContact NZ-OE2 3.37Å; K264-W279 HydrophobicContact CB-CH2 4.13Å; K264-W279 HydrophobicContact CD-CH2 3.99Å; K264-W279 HydrophobicContact CG-CH2 4.19Å
265K83.4Confident86.7Confident177 Ų17758.4 Ų58.477%0.7731%0.312SS*.Hα-helixtrans-64.4-41.1176.7-172.1176.8-179.11790112.8E261 K262 L263 N267 G268E261-K265 VanDerWaalsContact O-CB 3.29Å; E261-K265 WeakPolarHBondContact O-CB 3.49Å; E261-K265 PolarHBondContact O-N 3.44Å; K262-K265 PolarHBondContact O-N 2.7Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 3.23Å; K265-N267 VanDerWaalsContact C-N 3.33Å; K265-G268 PolarHBondContact O-N 2.76Å
266E74.4Confident87.1Confident94 Ų9459.3 Ų59.344%0.43931%0.312SS..Hα-helixtrans-67.2-35.1177.9-75.4172.1171.200112.3K262 L263K262-E266 WeakPolarHBondContact CE-OE1 3.24Å; K262-E266 IonicContact NZ-OE1 2.86Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 3.07Å; L263-E266 PolarHBondContact O-N 3.42Å
267N71.9Confident87.4Confident81 Ų8160.8 Ų60.843%0.43332%0.318SS..Hα-helixtrans-92-0.4180-65.6-51.4000114.1L263 K264 K265 L269L263-N267 VanDerWaalsContact CD1-ND2 3.35Å; L263-N267 WeakPolarHBondContact CD1-ND2 3.43Å; L263-N267 WeakPolarHBondContact O-CB 3.26Å; L263-N267 PolarHBondContact O-N 3.44Å; L263-N267 VanDerWaalsContact O-N 3.12Å; L263-N267 PolarHBondContact O-ND2 2.98Å; K264-N267 PolarHBondContact O-N 2.81Å; K265-N267 VanDerWaalsContact C-N 3.33Å; N267-L269 VanDerWaalsContact C-N 3.26Å; N267-L269 HydrophobicContact CB-CD1 4.08Å; N267-L269 HydrophobicContact CB-CG 3.9Å; N267-L269 PolarHBondContact O-N 3.05Å
268G78.3Confident87.5Confident67 Ų6760.8 Ų60.869%0.69132%0.318SS*.THydrogen-bonded Turntrans63.229.5-176.900000114K264 K265K264-G268 PolarHBondContact O-N 2.93Å; K265-G268 PolarHBondContact O-N 2.76Å
269L81.9Confident87.8Confident97 Ų9759.9 Ų59.951%0.50831%0.311SS..PPolyproline II helixtrans-85.3137.6179.4-62.1175.8000110.9K264 N267K264-L269 HydrophobicContact CB-CB 4.01Å; K264-L269 HydrophobicContact CD-CB 4.17Å; K264-L269 HydrophobicContact CG-CB 4.08Å; K264-L269 HydrophobicContact CG-CD1 4.44Å; K264-L269 PolarHBondContact O-N 3.09Å; N267-L269 VanDerWaalsContact C-N 3.26Å; N267-L269 HydrophobicContact CB-CD1 4.08Å; N267-L269 HydrophobicContact CB-CG 3.9Å; N267-L269 PolarHBondContact O-N 3.05Å
270E88.3Confident88.3Confident146 Ų14663.3 Ų63.368%0.68232%0.315SS*.PPolyproline II helixtrans-72.1129.9177.1-80.3-65.6141.300111.3K276E270-K276 IonicContact OE2-NZ 3.26Å; E270-K276 PolarHBondContact OE2-NZ 2.85Å; E270-K276 VanDerWaalsContact OE2-NZ 3.11Å
271P92.3Very high88.7Confident29 Ų2963.9 Ų63.919%0.18832%0.318CS..PPolyproline II helixtrans-76.2144.1173.919.9-18.6000112.5E275 K276 W279P271-E275 VanDerWaalsContact CA-OE2 3.28Å; P271-E275 WeakPolarHBondContact CA-OE2 3.37Å; P271-E275 HydrophobicContact CB-CB 3.77Å; P271-K276 HydrophobicContact CB-CG 3.85Å; P271-K276 HydrophobicContact CG-CD 4.31Å; P271-K276 HydrophobicContact CG-CG 3.66Å; P271-K276 WeakPolarHBondContact O-CE 3.39Å; P271-K276 PolarHBondContact O-NZ 3.46Å; P271-W279 HydrophobicContact CB-CE3 3.99Å; P271-W279 HydrophobicContact CB-CH2 3.84Å; P271-W279 HydrophobicContact CB-CZ3 3.34Å; P271-W279 HydrophobicContact CG-CE3 4.31Å; P271-W279 HydrophobicContact CG-CZ3 3.79Å
272N92.7Very high89Confident19 Ų1967.6 Ų67.610%0.10233%0.334CS..PPolyproline II helixtrans-70.7167.4172.973.353.3000111Q222 Y226 I274 E275 K276Q222-N272 PolarHBondContact NE2-ND2 2.69Å; Q222-N272 PolarHBondContact OE1-ND2 2.69Å; Y226-N272 HydrophobicContact CE1-CB 4Å; N272-I274 VanDerWaalsContact C-N 3.27Å; N272-I274 PolarHBondContact O-N 3Å; N272-I274 WeakPolarHBondContact OD1-CB 3.27Å; N272-I274 PolarHBondContact OD1-N 2.94Å; N272-E275 PolarHBondContact N-OE2 3.17Å; N272-E275 PolarHBondContact ND2-OE2 2.89Å; N272-E275 WeakPolarHBondContact O-CB 3.4Å; N272-E275 PolarHBondContact O-N 2.96Å; N272-E275 PolarHBondContact OD1-N 3.31Å; N272-K276 WeakPolarHBondContact O-CG 3.44Å; N272-K276 PolarHBondContact O-N 3.42Å
273P94.1Very high89.6Confident64 Ų6462.9 Ų62.942%0.41631%0.313SS..Hα-helixtrans-60-32.6-175.2-27.136.5000114.8E277 V315P273-E277 PolarHBondContact O-N 3.41Å; P273-V315 HydrophobicContact CB-CG1 3.56Å; P273-V315 HydrophobicContact CB-CG2 4.21Å; P273-V315 HydrophobicContact CG-CG1 4.23Å
274I94.6Very high90.4Very high0 Ų063.1 Ų63.10%031%0.312CS..Hα-helixtrans-72.3-45178.3-62.3-67.9000110.1M225 Y226 N272 E277 M278 F292 M308 I311 I312 V315M225-I274 HydrophobicContact CE-CG2 4.38Å; Y226-I274 HydrophobicContact CD1-CG1 4.21Å; Y226-I274 HydrophobicContact CG-CG1 4.49Å; N272-I274 VanDerWaalsContact C-N 3.27Å; N272-I274 PolarHBondContact O-N 3Å; N272-I274 WeakPolarHBondContact OD1-CB 3.27Å; N272-I274 PolarHBondContact OD1-N 2.94Å; I274-E277 PolarHBondContact O-N 3.37Å; I274-M278 HydrophobicContact CG2-CG 4.22Å; I274-M278 HydrophobicContact CG2-SD 3.6Å; I274-M278 WeakPolarHBondContact O-CB 3.33Å; I274-M278 VanDerWaalsContact O-CG 3.3Å; I274-M278 WeakPolarHBondContact O-CG 3.32Å; I274-M278 PolarHBondContact O-N 3.45Å; I274-F292 HydrophobicContact CG2-CE1 4.13Å; I274-M308 HydrophobicContact CD1-CE 4.45Å; I274-M308 HydrophobicContact CG2-CE 3.83Å; I274-I311 HydrophobicContact CD1-CG2 4.06Å; I274-I312 HydrophobicContact CD1-CG1 4.01Å; I274-V315 HydrophobicContact CD1-CB 4.24Å; I274-V315 HydrophobicContact CD1-CG1 4.37Å; I274-V315 HydrophobicContact CD1-CG2 4.22Å
275E95.8Very high90.9Very high0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-56.7-50.9173.9-74.5172.9154.700111.8Q222 F257 K264 P271 N272 E277 M278 W279Q222-E275 VanDerWaalsContact NE2-CG 3.33Å; Q222-E275 PolarHBondContact NE2-OE1 2.92Å; Q222-E275 PolarHBondContact OE1-OE1 3.42Å; F257-E275 HydrophobicContact CE1-CG 4.16Å; F257-E275 HydrophobicContact CZ-CG 3.7Å; K264-E275 VanDerWaalsContact CE-OE1 3.28Å; K264-E275 WeakPolarHBondContact CE-OE1 3.4Å; K264-E275 IonicContact NZ-OE1 2.74Å; K264-E275 PolarHBondContact NZ-OE1 2.74Å; K264-E275 IonicContact NZ-OE2 3.82Å; K264-E275 PolarHBondContact NZ-OE2 3.37Å; P271-E275 VanDerWaalsContact CA-OE2 3.28Å; P271-E275 WeakPolarHBondContact CA-OE2 3.37Å; P271-E275 HydrophobicContact CB-CB 3.77Å; N272-E275 PolarHBondContact N-OE2 3.17Å; N272-E275 PolarHBondContact ND2-OE2 2.89Å; N272-E275 WeakPolarHBondContact O-CB 3.4Å; N272-E275 PolarHBondContact O-N 2.96Å; N272-E275 PolarHBondContact OD1-N 3.31Å; E275-E277 VanDerWaalsContact C-N 3.25Å; E275-E277 PolarHBondContact O-N 2.96Å; E275-M278 PolarHBondContact O-N 3.31Å; E275-W279 HydrophobicContact CB-CD2 4.15Å; E275-W279 HydrophobicContact CB-CE3 4.27Å; E275-W279 HydrophobicContact CB-CH2 3.9Å; E275-W279 HydrophobicContact CB-CZ2 3.72Å; E275-W279 HydrophobicContact CB-CZ3 4.21Å; E275-W279 HydrophobicContact CG-CH2 4.12Å; E275-W279 HydrophobicContact CG-CZ2 3.69Å; E275-W279 WeakPolarHBondContact O-CB 3.44Å; E275-W279 PolarHBondContact O-N 2.88Å
276K94.6Very high91.3Very high105 Ų10557.5 Ų57.546%0.45729%0.286SS..Hα-helixtrans-50.8-47.7179-79.6177.6173.4166.50111.2E270 P271 N272 R280E270-K276 IonicContact OE2-NZ 3.26Å; E270-K276 PolarHBondContact OE2-NZ 2.85Å; E270-K276 VanDerWaalsContact OE2-NZ 3.11Å; P271-K276 HydrophobicContact CB-CG 3.85Å; P271-K276 HydrophobicContact CG-CD 4.31Å; P271-K276 HydrophobicContact CG-CG 3.66Å; P271-K276 WeakPolarHBondContact O-CE 3.39Å; P271-K276 PolarHBondContact O-NZ 3.46Å; N272-K276 WeakPolarHBondContact O-CG 3.44Å; N272-K276 PolarHBondContact O-N 3.42Å; K276-R280 VanDerWaalsContact O-CB 3.28Å; K276-R280 WeakPolarHBondContact O-CB 3.41Å; K276-R280 PolarHBondContact O-N 3.46Å; K276-R280 VanDerWaalsContact O-N 3.15Å
277E95.1Very high92Very high36 Ų3659.2 Ų59.217%0.16829%0.292CS..Hα-helixtrans-75.4-42.9-177.4-172.368168.700113P273 I274 E275 W279 R280 L281 I311 R314P273-E277 PolarHBondContact O-N 3.41Å; I274-E277 PolarHBondContact O-N 3.37Å; E275-E277 VanDerWaalsContact C-N 3.25Å; E275-E277 PolarHBondContact O-N 2.96Å; E277-W279 PolarHBondContact O-N 2.92Å; E277-R280 PolarHBondContact O-N 3.14Å; E277-R280 IonicContact OE1-CZ 2.9Å; E277-R280 IonicContact OE1-NE 2.81Å; E277-R280 IonicContact OE1-NH2 3.47Å; E277-R280 PolarHBondContact OE1-NH2 2.74Å; E277-R280 IonicContact OE2-CZ 3.66Å; E277-R280 IonicContact OE2-NE 3.44Å; E277-R280 PolarHBondContact OE2-NE 3.26Å; E277-R280 IonicContact OE2-NH2 2.71Å; E277-R280 PolarHBondContact OE2-NH2 2.66Å; E277-L281 HydrophobicContact CG-CD1 4.21Å; E277-L281 WeakPolarHBondContact O-CG 3.44Å; E277-L281 PolarHBondContact O-N 2.79Å; E277-I311 HydrophobicContact CB-CG2 4.1Å; E277-I311 HydrophobicContact CG-CD1 3.89Å; E277-I311 HydrophobicContact CG-CG1 3.94Å; E277-I311 HydrophobicContact CG-CG2 3.85Å; E277-R314 IonicContact OE1-NH2 3.38Å; E277-R314 PolarHBondContact OE1-NH2 2.81Å
278M96.6Very high93Very high0 Ų057.5 Ų57.50%028%0.284CS..Hα-helixtrans-63.5-41.4179.2-73.7-179.269.400112F257 I274 E275 L281 K282 R283 F292 M308F257-M278 HydrophobicContact CD1-CB 4.26Å; F257-M278 HydrophobicContact CD1-CE 3.78Å; F257-M278 HydrophobicContact CD1-SD 4.29Å; F257-M278 HydrophobicContact CE1-CB 4.1Å; F257-M278 HydrophobicContact CE1-CE 4Å; F257-M278 HydrophobicContact CE1-SD 3.9Å; I274-M278 HydrophobicContact CG2-CG 4.22Å; I274-M278 HydrophobicContact CG2-SD 3.6Å; I274-M278 WeakPolarHBondContact O-CB 3.33Å; I274-M278 VanDerWaalsContact O-CG 3.3Å; I274-M278 WeakPolarHBondContact O-CG 3.32Å; I274-M278 PolarHBondContact O-N 3.45Å; E275-M278 PolarHBondContact O-N 3.31Å; M278-L281 CarbonylContact O-C 3.52Å; M278-L281 PolarHBondContact O-N 2.68Å; M278-K282 PolarHBondContact O-N 3.46Å; M278-R283 HydrophobicContact CB-CB 4.4Å; M278-R283 HydrophobicContact CE-CB 4.46Å; M278-R283 PolarHBondContact O-N 3.24Å; M278-F292 HydrophobicContact CE-CD1 3.78Å; M278-F292 HydrophobicContact CE-CD2 3.92Å; M278-F292 HydrophobicContact CE-CE1 3.76Å; M278-F292 HydrophobicContact CE-CE2 3.9Å; M278-F292 HydrophobicContact CE-CG 3.85Å; M278-F292 HydrophobicContact CE-CZ 3.83Å; M278-F292 HydrophobicContact SD-CD1 3.75Å; M278-F292 HydrophobicContact SD-CE1 3.32Å; M278-F292 WeakPolarHBondContact SD-CE1 3.44Å; M278-F292 HydrophobicContact SD-CE2 4.38Å; M278-F292 HydrophobicContact SD-CG 4.43Å; M278-F292 HydrophobicContact SD-CZ 3.69Å; M278-M308 HydrophobicContact CE-SD 4.36Å; M278-M308 HydrophobicContact CG-CE 4.15Å; M278-M308 HydrophobicContact CG-SD 4.1Å; M278-M308 HydrophobicContact SD-CE 3.83Å; M278-M308 HydrophobicContact SD-SD 3.94Å
279W96.1Very high93.9Very high21 Ų2156.4 Ų56.48%0.0826%0.262CS..Hα-helixtrans-70.2-40.1178.1-59.7-19.4000111.8F257 M260 E261 K264 P271 E275 E277 L281 K282F257-W279 AromaticContact CD1-CD1 3.68Å; F257-W279 AromaticContact CD1-NE1 3.24Å; F257-W279 AromaticContact CE1-CD1 3.83Å; F257-W279 AromaticContact CE1-NE1 3.18Å; F257-W279 AromaticContact CG-NE1 3.99Å; F257-W279 HydrophobicContact CZ-CZ2 4.49Å; F257-W279 AromaticContact CZ-NE1 3.87Å; F257-W279 PolarHBondContact O-NE1 3.19Å; M260-W279 HydrophobicContact CB-CZ2 4.15Å; E261-W279 VanDerWaalsContact CA-CZ2 3.49Å; E261-W279 HydrophobicContact CB-CD2 3.61Å; E261-W279 HydrophobicContact CB-CE3 3.96Å; E261-W279 HydrophobicContact CB-CG 3.98Å; E261-W279 HydrophobicContact CB-CH2 4.26Å; E261-W279 HydrophobicContact CB-CZ2 3.98Å; E261-W279 HydrophobicContact CB-CZ3 4.21Å; E261-W279 HydrophobicContact CG-CB 4.4Å; E261-W279 HydrophobicContact CG-CD2 3.72Å; E261-W279 HydrophobicContact CG-CE3 3.68Å; E261-W279 HydrophobicContact CG-CG 4.02Å; E261-W279 HydrophobicContact CG-CZ3 4.11Å; K264-W279 HydrophobicContact CB-CH2 4.13Å; K264-W279 HydrophobicContact CD-CH2 3.99Å; K264-W279 HydrophobicContact CG-CH2 4.19Å; P271-W279 HydrophobicContact CB-CE3 3.99Å; P271-W279 HydrophobicContact CB-CH2 3.84Å; P271-W279 HydrophobicContact CB-CZ3 3.34Å; P271-W279 HydrophobicContact CG-CE3 4.31Å; P271-W279 HydrophobicContact CG-CZ3 3.79Å; E275-W279 HydrophobicContact CB-CD2 4.15Å; E275-W279 HydrophobicContact CB-CE3 4.27Å; E275-W279 HydrophobicContact CB-CH2 3.9Å; E275-W279 HydrophobicContact CB-CZ2 3.72Å; E275-W279 HydrophobicContact CB-CZ3 4.21Å; E275-W279 HydrophobicContact CG-CH2 4.12Å; E275-W279 HydrophobicContact CG-CZ2 3.69Å; E275-W279 WeakPolarHBondContact O-CB 3.44Å; E275-W279 PolarHBondContact O-N 2.88Å; E277-W279 PolarHBondContact O-N 2.92Å; W279-L281 PolarHBondContact O-N 3.39Å; W279-K282 PolarHBondContact O-N 2.91Å
280R96.1Very high94.6Very high157 Ų15755.8 Ų55.859%0.59226%0.256SS*.Hα-helixtrans-54.8-40.1171.5-173.2-173.170.676.7-3111.9K276 E277 K282K276-R280 VanDerWaalsContact O-CB 3.28Å; K276-R280 WeakPolarHBondContact O-CB 3.41Å; K276-R280 PolarHBondContact O-N 3.46Å; K276-R280 VanDerWaalsContact O-N 3.15Å; E277-R280 PolarHBondContact O-N 3.14Å; E277-R280 IonicContact OE1-CZ 2.9Å; E277-R280 IonicContact OE1-NE 2.81Å; E277-R280 IonicContact OE1-NH2 3.47Å; E277-R280 PolarHBondContact OE1-NH2 2.74Å; E277-R280 IonicContact OE2-CZ 3.66Å; E277-R280 IonicContact OE2-NE 3.44Å; E277-R280 PolarHBondContact OE2-NE 3.26Å; E277-R280 IonicContact OE2-NH2 2.71Å; E277-R280 PolarHBondContact OE2-NH2 2.66Å; R280-K282 VanDerWaalsContact C-N 3.32Å
281L96.5Very high95Very high40 Ų4048.9 Ų48.921%0.20922%0.223CC..THydrogen-bonded Turntrans-85.90.3178.6-64.5176.5000114.1E277 M278 W279 R283 I311E277-L281 HydrophobicContact CG-CD1 4.21Å; E277-L281 WeakPolarHBondContact O-CG 3.44Å; E277-L281 PolarHBondContact O-N 2.79Å; M278-L281 CarbonylContact O-C 3.52Å; M278-L281 PolarHBondContact O-N 2.68Å; W279-L281 PolarHBondContact O-N 3.39Å; L281-R283 HydrophobicContact CB-CG 3.78Å; L281-R283 PolarHBondContact O-N 3.44Å; L281-I311 HydrophobicContact CD1-CD1 3.82Å
282K96.8Very high95.3Very high137 Ų13747.6 Ų47.660%0.59622%0.215SC*.THydrogen-bonded Turntrans51.540.9-175.3-58.8-175.2178.7-1790112.8M278 W279 R280 Y284M278-K282 PolarHBondContact O-N 3.46Å; W279-K282 PolarHBondContact O-N 2.91Å; R280-K282 VanDerWaalsContact C-N 3.32Å; K282-Y284 HydrophobicContact CB-CD2 4.23Å; K282-Y284 HydrophobicContact CB-CE2 3.7Å; K282-Y284 HydrophobicContact CG-CE2 4.02Å; K282-Y284 PolarHBondContact O-N 3.07Å
283R97.6Very high95.5Very high2 Ų247 Ų471%0.00821%0.211CC..  trans-85.680.1176.5-64-177.164.692.49.6109M278 L281 K290 G291 D305 E307M278-R283 HydrophobicContact CB-CB 4.4Å; M278-R283 HydrophobicContact CE-CB 4.46Å; M278-R283 PolarHBondContact O-N 3.24Å; L281-R283 HydrophobicContact CB-CG 3.78Å; L281-R283 PolarHBondContact O-N 3.44Å; R283-K290 CarbonylContact C-O 3.48Å; R283-K290 VanDerWaalsContact CA-O 3.24Å; R283-K290 WeakPolarHBondContact CA-O 3.47Å; R283-K290 HydrophobicContact CG-CD 4.16Å; R283-K290 HydrophobicContact CG-CG 4.1Å; R283-G291 PolarHBondContact NE-O 2.9Å; R283-G291 PolarHBondContact NH2-O 3.42Å; R283-D305 IonicContact CZ-OD2 2.74Å; R283-D305 IonicContact NH1-OD1 3.44Å; R283-D305 IonicContact NH1-OD2 2.79Å; R283-D305 PolarHBondContact NH1-OD2 2.79Å; R283-D305 VanDerWaalsContact NH1-OD2 3.1Å; R283-D305 IonicContact NH2-OD1 3.79Å; R283-D305 IonicContact NH2-OD2 3.11Å; R283-D305 PolarHBondContact NH2-OD2 3.37Å; R283-E307 IonicContact CZ-OE2 3.49Å; R283-E307 IonicContact NH1-OE2 3.56Å; R283-E307 PolarHBondContact NH1-OE2 3.47Å
284Y96.2Very high95.7Very high34 Ų3448 Ų4813%0.13321%0.209CC..  trans-96.810.7-174.1-55.7-46.9000115G256 F257 D258 E261 K282 T288 K290G256-Y284 CarbonylContact C-O 3.59Å; G256-Y284 VanDerWaalsContact CA-O 3.27Å; G256-Y284 WeakPolarHBondContact CA-O 3.46Å; F257-Y284 PolarHBondContact N-O 2.81Å; D258-Y284 HydrophobicContact CB-CD1 3.56Å; D258-Y284 HydrophobicContact CB-CD2 4Å; D258-Y284 HydrophobicContact CB-CE1 3.74Å; D258-Y284 HydrophobicContact CB-CE2 4.19Å; D258-Y284 HydrophobicContact CB-CG 3.68Å; E261-Y284 WeakPolarHBondContact OE2-CE1 3.49Å; E261-Y284 VanDerWaalsContact OE2-CZ 3.25Å; E261-Y284 PolarHBondContact OE2-OH 2.86Å; K282-Y284 HydrophobicContact CB-CD2 4.23Å; K282-Y284 HydrophobicContact CB-CE2 3.7Å; K282-Y284 HydrophobicContact CG-CE2 4.02Å; K282-Y284 PolarHBondContact O-N 3.07Å; Y284-T288 WeakPolarHBondContact CA-OG1 3.22Å; Y284-T288 HydrophobicContact CD2-CG2 3.86Å; Y284-T288 HydrophobicContact CG-CG2 4.4Å; Y284-T288 PolarHBondContact N-OG1 3.45Å; Y284-K290 PolarHBondContact N-O 3.27Å; Y284-K290 VanDerWaalsContact N-O 3.09Å
285G95.2Very high95.7Very high0 Ų048.3 Ų48.30%021%0.21CC..BIsolated β-bridgetrans95.3-142.4178.500000113.2D253 K287 T288 N289 K290D253-G285 WeakPolarHBondContact O-CA 3.43Å; G285-K287 VanDerWaalsContact C-N 3.3Å; G285-K287 PolarHBondContact O-N 3.02Å; G285-T288 PolarHBondContact N-OG1 3.42Å; G285-T288 PolarHBondContact O-N 2.95Å; G285-T288 VanDerWaalsContact O-N 3.15Å; G285-T288 PolarHBondContact O-OG1 3.44Å; G285-N289 PolarHBondContact O-N 3.21Å; G285-K290 PolarHBondContact N-O 3.49Å; G285-K290 CarbonylContact O-C 3.49Å; G285-K290 PolarHBondContact O-N 3.39Å
286R91.4Very high95.5Very high79 Ų7950.9 Ų50.930%0.29822%0.224SC..G310 helixtrans-59.2-39.1-172.5-73.8-174.8166.2-79.92.6113.1D253 T288 N289 Y295 Q300D253-R286 PolarHBondContact O-N 3.38Å; R286-T288 PolarHBondContact O-N 3.31Å; R286-N289 PolarHBondContact O-N 2.87Å; R286-N289 VanDerWaalsContact O-N 3.1Å; R286-Y295 HydrophobicContact CB-CD2 4.47Å; R286-Y295 HydrophobicContact CB-CE2 4.46Å; R286-Y295 HydrophobicContact CG-CD1 3.86Å; R286-Y295 HydrophobicContact CG-CD2 4Å; R286-Y295 HydrophobicContact CG-CE1 3.59Å; R286-Y295 HydrophobicContact CG-CE2 3.74Å; R286-Y295 HydrophobicContact CG-CG 4.05Å; R286-Y295 VanDerWaalsContact CZ-CE1 3.42Å; R286-Q300 PolarHBondContact NH1-O 3.37Å
287K89.5Confident95.1Very high130 Ų13052 Ų5257%0.56524%0.235SC*.G310 helixtrans-64.1-20.7-17963.6179.5-68.2-179.80114.2D258 G285D258-K287 VanDerWaalsContact CG-NZ 3.3Å; D258-K287 WeakPolarHBondContact OD1-CD 3.34Å; D258-K287 IonicContact OD1-NZ 3.37Å; D258-K287 PolarHBondContact OD1-NZ 3.5Å; D258-K287 IonicContact OD2-NZ 3.72Å; D258-K287 PolarHBondContact OD2-NZ 2.74Å; G285-K287 VanDerWaalsContact C-N 3.3Å; G285-K287 PolarHBondContact O-N 3.02Å
288T94.4Very high94.6Very high44 Ų4459.5 Ų59.527%0.2727%0.267SS..G310 helixtrans-11410.1177.144.70000111.9Y284 G285 R286 K290Y284-T288 WeakPolarHBondContact CA-OG1 3.22Å; Y284-T288 HydrophobicContact CD2-CG2 3.86Å; Y284-T288 HydrophobicContact CG-CG2 4.4Å; Y284-T288 PolarHBondContact N-OG1 3.45Å; G285-T288 PolarHBondContact N-OG1 3.42Å; G285-T288 PolarHBondContact O-N 2.95Å; G285-T288 VanDerWaalsContact O-N 3.15Å; G285-T288 PolarHBondContact O-OG1 3.44Å; R286-T288 PolarHBondContact O-N 3.31Å; T288-K290 WeakPolarHBondContact O-CG 3.35Å; T288-K290 PolarHBondContact O-N 2.84Å; T288-K290 PolarHBondContact OG1-O 2.9Å
289N95.4Very high94Very high45 Ų4564 Ų6424%0.24129%0.294CS..THydrogen-bonded Turntrans59.13.1-172.3-68.275.6000115.5G285 R286 Y295 D297 Q300G285-N289 PolarHBondContact O-N 3.21Å; R286-N289 PolarHBondContact O-N 2.87Å; R286-N289 VanDerWaalsContact O-N 3.1Å; N289-Y295 PolarHBondContact ND2-O 2.96Å; N289-Y295 PolarHBondContact O-N 3.41Å; N289-D297 VanDerWaalsContact CG-OD1 3.28Å; N289-D297 PolarHBondContact ND2-OD1 2.8Å; N289-Q300 PolarHBondContact ND2-NE2 3.25Å
290K97Very high93.4Very high84 Ų8465.9 Ų65.937%0.36530%0.304SS..BIsolated β-bridgetrans-153.7136.3-178.760.6-176.8178.8174.10111R283 Y284 G285 T288 Y293R283-K290 CarbonylContact C-O 3.48Å; R283-K290 VanDerWaalsContact CA-O 3.24Å; R283-K290 WeakPolarHBondContact CA-O 3.47Å; R283-K290 HydrophobicContact CG-CD 4.16Å; R283-K290 HydrophobicContact CG-CG 4.1Å; Y284-K290 PolarHBondContact N-O 3.27Å; Y284-K290 VanDerWaalsContact N-O 3.09Å; G285-K290 PolarHBondContact N-O 3.49Å; G285-K290 CarbonylContact O-C 3.49Å; G285-K290 PolarHBondContact O-N 3.39Å; T288-K290 WeakPolarHBondContact O-CG 3.35Å; T288-K290 PolarHBondContact O-N 2.84Å; T288-K290 PolarHBondContact OG1-O 2.9Å; K290-Y293 CarbonylContact C-O 3.6Å; K290-Y293 WeakPolarHBondContact CA-O 3.48Å
291G96.9Very high93.1Very high0 Ų065.5 Ų65.50%030%0.303CS..SBendtrans-155.2-127.3-179.800000109.3D253 R283 Y293D253-G291 VanDerWaalsContact OD1-CA 3.3Å; D253-G291 WeakPolarHBondContact OD1-CA 3.26Å; R283-G291 PolarHBondContact NE-O 2.9Å; R283-G291 PolarHBondContact NH2-O 3.42Å; G291-Y293 CarbonylContact C-O 3.53Å; G291-Y293 PolarHBondContact N-O 2.81Å
292F97.9Very high93Very high3 Ų368 Ų681%0.01331%0.312CS..SBendtrans-65.5-31.1164.7-67.8-72.2000112F218 M225 P232 M249 A252 D253 F257 I274 M278 M308F218-F292 AromaticContact CZ-CE2 3.88Å; F218-F292 HydrophobicContact CZ-CE2 3.88Å; F218-F292 AromaticContact CZ-CZ 3.94Å; F218-F292 HydrophobicContact CZ-CZ 3.94Å; M225-F292 HydrophobicContact CE-CD1 4.19Å; M225-F292 HydrophobicContact CE-CE1 3.51Å; M225-F292 HydrophobicContact CE-CZ 4.22Å; M225-F292 HydrophobicContact SD-CD1 4.08Å; M225-F292 HydrophobicContact SD-CE1 3.97Å; P232-F292 HydrophobicContact CB-CB 4.1Å; P232-F292 HydrophobicContact CG-CB 4.06Å; P232-F292 HydrophobicContact CG-CD1 4.22Å; M249-F292 HydrophobicContact CB-CB 3.86Å; M249-F292 HydrophobicContact CB-CD1 4.41Å; M249-F292 HydrophobicContact CB-CD2 4.01Å; M249-F292 HydrophobicContact CB-CG 3.83Å; M249-F292 HydrophobicContact CG-CD1 4.46Å; M249-F292 HydrophobicContact CG-CG 4.35Å; M249-F292 HydrophobicContact SD-CD1 4.11Å; M249-F292 HydrophobicContact SD-CD2 4.32Å; M249-F292 HydrophobicContact SD-CE1 3.99Å; M249-F292 HydrophobicContact SD-CE2 4.19Å; M249-F292 HydrophobicContact SD-CG 4.28Å; M249-F292 HydrophobicContact SD-CZ 4.02Å; A252-F292 HydrophobicContact CB-CD2 4.12Å; A252-F292 HydrophobicContact CB-CE2 3.76Å; D253-F292 VanDerWaalsContact CG-N 3.34Å; D253-F292 WeakPolarHBondContact OD1-CD2 3.46Å; D253-F292 PolarHBondContact OD1-N 3Å; D253-F292 PolarHBondContact OD2-N 3.31Å; F257-F292 HydrophobicContact CD2-CE2 4.08Å; F257-F292 HydrophobicContact CE1-CE2 4.48Å; F257-F292 HydrophobicContact CE1-CZ 4.18Å; F257-F292 HydrophobicContact CE2-CE2 4.05Å; F257-F292 HydrophobicContact CE2-CZ 4.08Å; F257-F292 HydrophobicContact CG-CE2 4.33Å; F257-F292 HydrophobicContact CZ-CE2 4.23Å; F257-F292 AromaticContact CZ-CZ 3.87Å; F257-F292 HydrophobicContact CZ-CZ 3.87Å; I274-F292 HydrophobicContact CG2-CE1 4.13Å; M278-F292 HydrophobicContact CE-CD1 3.78Å; M278-F292 HydrophobicContact CE-CD2 3.92Å; M278-F292 HydrophobicContact CE-CE1 3.76Å; M278-F292 HydrophobicContact CE-CE2 3.9Å; M278-F292 HydrophobicContact CE-CG 3.85Å; M278-F292 HydrophobicContact CE-CZ 3.83Å; M278-F292 HydrophobicContact SD-CD1 3.75Å; M278-F292 HydrophobicContact SD-CE1 3.32Å; M278-F292 WeakPolarHBondContact SD-CE1 3.44Å; M278-F292 HydrophobicContact SD-CE2 4.38Å; M278-F292 HydrophobicContact SD-CG 4.43Å; M278-F292 HydrophobicContact SD-CZ 3.69Å; F292-M308 HydrophobicContact CD1-CE 4.35Å; F292-M308 HydrophobicContact CD1-SD 4.47Å
293Y98.1Very high93Very high7 Ų764.1 Ų64.13%0.02730%0.296CS..SBendtrans-112.1175.1172.2-65-87.4000110.7P232 H233 D236 M249 T250 D253 K290 G291 K302 E303P232-Y293 HydrophobicContact CB-CE2 4.1Å; P232-Y293 PolarHBondContact O-OH 3.31Å; H233-Y293 VanDerWaalsContact CA-OH 3.28Å; H233-Y293 WeakPolarHBondContact CA-OH 3.25Å; H233-Y293 HydrophobicContact CB-CE1 4.1Å; H233-Y293 PolarHBondContact N-OH 2.96Å; D236-Y293 WeakPolarHBondContact CB-OH 3.37Å; D236-Y293 VanDerWaalsContact CG-OH 3.26Å; D236-Y293 VanDerWaalsContact OD2-CE2 3.3Å; D236-Y293 WeakPolarHBondContact OD2-CE2 3.38Å; D236-Y293 PolarHBondContact OD2-OH 3.32Å; M249-Y293 HydrophobicContact CB-CE2 4Å; T250-Y293 WeakPolarHBondContact OG1-CE2 3.29Å; D253-Y293 PolarHBondContact OD2-N 3.5Å; K290-Y293 CarbonylContact C-O 3.6Å; K290-Y293 WeakPolarHBondContact CA-O 3.48Å; G291-Y293 CarbonylContact C-O 3.53Å; G291-Y293 PolarHBondContact N-O 2.81Å; Y293-K302 HydrophobicContact CD1-CD 4.03Å; Y293-K302 HydrophobicContact CD1-CG 3.82Å; Y293-K302 HydrophobicContact CD2-CD 4Å; Y293-K302 HydrophobicContact CD2-CG 4.34Å; Y293-K302 HydrophobicContact CE1-CD 4.25Å; Y293-K302 HydrophobicContact CE1-CG 4.46Å; Y293-K302 HydrophobicContact CE2-CD 4.22Å; Y293-K302 HydrophobicContact CG-CD 3.88Å; Y293-K302 HydrophobicContact CG-CG 3.74Å; Y293-E303 WeakPolarHBondContact CB-O 3.41Å; Y293-E303 WeakPolarHBondContact CD1-O 3.35Å
294K97.5Very high93Very high83 Ų8368 Ų6836%0.36132%0.317SS..EExtended strand (participates in β ladder)trans-111.3153.1164.670.5-174.7-171.5-177.70110.6E303 N304 D305K294-E303 HydrophobicContact CD-CB 4.46Å; K294-E303 WeakPolarHBondContact CE-OE2 3.42Å; K294-E303 HydrophobicContact CG-CB 3.81Å; K294-E303 PolarHBondContact N-O 3.08Å; K294-E303 IonicContact NZ-OE2 3.9Å; K294-E303 PolarHBondContact O-N 3.3Å; K294-N304 WeakPolarHBondContact CD-O 3.36Å; K294-N304 WeakPolarHBondContact CE-O 3.36Å; K294-D305 HydrophobicContact CB-CB 4.12Å; K294-D305 HydrophobicContact CD-CB 4.37Å; K294-D305 HydrophobicContact CG-CB 4.31Å
295Y94.9Very high93Very high7 Ų767.8 Ų67.83%0.02732%0.318CS..EExtended strand (participates in β ladder)trans-129.7122.8-175.2-59.2-80.9000110.8D253 R286 N289 R301 K302D253-Y295 HydrophobicContact CB-CE2 3.94Å; D253-Y295 WeakPolarHBondContact CB-OH 3.43Å; D253-Y295 PolarHBondContact OD2-OH 2.97Å; D253-Y295 VanDerWaalsContact OD2-OH 3.09Å; R286-Y295 HydrophobicContact CB-CD2 4.47Å; R286-Y295 HydrophobicContact CB-CE2 4.46Å; R286-Y295 HydrophobicContact CG-CD1 3.86Å; R286-Y295 HydrophobicContact CG-CD2 4Å; R286-Y295 HydrophobicContact CG-CE1 3.59Å; R286-Y295 HydrophobicContact CG-CE2 3.74Å; R286-Y295 HydrophobicContact CG-CG 4.05Å; R286-Y295 VanDerWaalsContact CZ-CE1 3.42Å; N289-Y295 PolarHBondContact ND2-O 2.96Å; N289-Y295 PolarHBondContact O-N 3.41Å; Y295-R301 WeakPolarHBondContact CA-O 3.44Å; Y295-K302 HydrophobicContact CD1-CB 4.18Å; Y295-K302 HydrophobicContact CE1-CB 3.76Å; Y295-K302 HydrophobicContact CE1-CD 4.38Å; Y295-K302 HydrophobicContact CE1-CG 3.76Å
296D91.8Very high93.1Very high54 Ų5472.2 Ų72.229%0.28935%0.345SS..  trans-58.6136.3178.7173.2-114.2000112.3K298 T299 Q300 R301D296-K298 VanDerWaalsContact C-N 3.27Å; D296-K298 PolarHBondContact O-N 2.86Å; D296-K298 PolarHBondContact OD1-N 3.49Å; D296-T299 WeakPolarHBondContact OD1-CB 3.39Å; D296-T299 PolarHBondContact OD1-N 2.92Å; D296-T299 PolarHBondContact OD1-OG1 2.98Å; D296-Q300 WeakPolarHBondContact O-CA 3.44Å; D296-Q300 PolarHBondContact O-N 2.79Å; D296-Q300 PolarHBondContact O-NE2 3.23Å; D296-R301 HydrophobicContact CB-CG 3.72Å; D296-R301 PolarHBondContact N-O 3.39Å
297D86.9Confident93.4Very high128 Ų12872.4 Ų72.468%0.68435%0.349SS*.THydrogen-bonded Turntrans-63.6-30.3-175.2-71.9-34.9000113.7N289N289-D297 VanDerWaalsContact CG-OD1 3.28Å; N289-D297 PolarHBondContact ND2-OD1 2.8Å
298K83.9Confident93.8Very high194 Ų19466.2 Ų66.284%0.84332%0.323SS*.THydrogen-bonded Turntrans-88.9-51.4-175.9-68-177.6179.4178.20112.5D296D296-K298 VanDerWaalsContact C-N 3.27Å; D296-K298 PolarHBondContact O-N 2.86Å; D296-K298 PolarHBondContact OD1-N 3.49Å
299T83Confident94Very high94 Ų9467.7 Ų67.758%0.57733%0.326SS*.THydrogen-bonded Turntrans-100.2-12.6-170.862.30000112.9D296 R301D296-T299 WeakPolarHBondContact OD1-CB 3.39Å; D296-T299 PolarHBondContact OD1-N 2.92Å; D296-T299 PolarHBondContact OD1-OG1 2.98Å; T299-R301 PolarHBondContact O-N 3.42Å; T299-R301 VanDerWaalsContact O-N 3.13Å; T299-R301 WeakPolarHBondContact OG1-CB 3.24Å; T299-R301 WeakPolarHBondContact OG1-CG 3.27Å; T299-R301 PolarHBondContact OG1-N 3.05Å
300Q85.1Confident94Very high62 Ų6271.2 Ų71.229%0.2934%0.341SS..  trans54.826.7-171.9-65.6-67.7-45.400112.4R286 N289 D296R286-Q300 PolarHBondContact NH1-O 3.37Å; N289-Q300 PolarHBondContact ND2-NE2 3.25Å; D296-Q300 WeakPolarHBondContact O-CA 3.44Å; D296-Q300 PolarHBondContact O-N 2.79Å; D296-Q300 PolarHBondContact O-NE2 3.23Å
301R89Confident94Very high149 Ų14967.3 Ų67.356%0.56232%0.324SS*.  trans-67.9139.1176.776.2-178.4-173.6150-3110.1Y295 D296 T299 E303Y295-R301 WeakPolarHBondContact CA-O 3.44Å; D296-R301 HydrophobicContact CB-CG 3.72Å; D296-R301 PolarHBondContact N-O 3.39Å; T299-R301 PolarHBondContact O-N 3.42Å; T299-R301 VanDerWaalsContact O-N 3.13Å; T299-R301 WeakPolarHBondContact OG1-CB 3.24Å; T299-R301 WeakPolarHBondContact OG1-CG 3.27Å; T299-R301 PolarHBondContact OG1-N 3.05Å; R301-E303 HydrophobicContact CG-CG 4.32Å; R301-E303 IonicContact CZ-OE1 2.66Å; R301-E303 IonicContact NE-OE1 3.36Å; R301-E303 PolarHBondContact NE-OE1 2.97Å; R301-E303 IonicContact NH1-OE1 3.44Å; R301-E303 IonicContact NH2-OE1 2.7Å; R301-E303 PolarHBondContact NH2-OE1 3.29Å
302K93.9Very high93.9Very high92 Ų9267.3 Ų67.340%0.432%0.324SS..EExtended strand (participates in β ladder)trans-79.6130.8-179.8-173.9177.871175.20110.1T250 Y293 Y295T250-K302 HydrophobicContact CG2-CD 4.2Å; T250-K302 PolarHBondContact OG1-NZ 2.84Å; Y293-K302 HydrophobicContact CD1-CD 4.03Å; Y293-K302 HydrophobicContact CD1-CG 3.82Å; Y293-K302 HydrophobicContact CD2-CD 4Å; Y293-K302 HydrophobicContact CD2-CG 4.34Å; Y293-K302 HydrophobicContact CE1-CD 4.25Å; Y293-K302 HydrophobicContact CE1-CG 4.46Å; Y293-K302 HydrophobicContact CE2-CD 4.22Å; Y293-K302 HydrophobicContact CG-CD 3.88Å; Y293-K302 HydrophobicContact CG-CG 3.74Å; Y295-K302 HydrophobicContact CD1-CB 4.18Å; Y295-K302 HydrophobicContact CE1-CB 3.76Å; Y295-K302 HydrophobicContact CE1-CD 4.38Å; Y295-K302 HydrophobicContact CE1-CG 3.76Å
303E96.6Very high93.8Very high55 Ų5572 Ų7226%0.25734%0.342SS..EExtended strand (participates in β ladder)trans-137.6158.2176.3-61.9-171.3153.900112Y293 K294 R301Y293-E303 WeakPolarHBondContact CB-O 3.41Å; Y293-E303 WeakPolarHBondContact CD1-O 3.35Å; K294-E303 HydrophobicContact CD-CB 4.46Å; K294-E303 WeakPolarHBondContact CE-OE2 3.42Å; K294-E303 HydrophobicContact CG-CB 3.81Å; K294-E303 PolarHBondContact N-O 3.08Å; K294-E303 IonicContact NZ-OE2 3.9Å; K294-E303 PolarHBondContact O-N 3.3Å; R301-E303 HydrophobicContact CG-CG 4.32Å; R301-E303 IonicContact CZ-OE1 2.66Å; R301-E303 IonicContact NE-OE1 3.36Å; R301-E303 PolarHBondContact NE-OE1 2.97Å; R301-E303 IonicContact NH1-OE1 3.44Å; R301-E303 IonicContact NH2-OE1 2.7Å; R301-E303 PolarHBondContact NH2-OE1 3.29Å
304N97.7Very high93.7Very high85 Ų8577.5 Ų77.546%0.45536%0.363SS..  trans-69.7147.9172.8-65.9-175.9000110.7H233 K294H233-N304 PolarHBondContact ND1-OD1 2.66Å; K294-N304 WeakPolarHBondContact CD-O 3.36Å; K294-N304 WeakPolarHBondContact CE-O 3.36Å
305D97.5Very high93.4Very high29 Ų2975.2 Ų75.216%0.15536%0.356CS..  trans-121.4120.5-176.7-171.8-48.6000110.5R283 K294 E307 M308 E309R283-D305 IonicContact CZ-OD2 2.74Å; R283-D305 IonicContact NH1-OD1 3.44Å; R283-D305 IonicContact NH1-OD2 2.79Å; R283-D305 PolarHBondContact NH1-OD2 2.79Å; R283-D305 VanDerWaalsContact NH1-OD2 3.1Å; R283-D305 IonicContact NH2-OD1 3.79Å; R283-D305 IonicContact NH2-OD2 3.11Å; R283-D305 PolarHBondContact NH2-OD2 3.37Å; K294-D305 HydrophobicContact CB-CB 4.12Å; K294-D305 HydrophobicContact CD-CB 4.37Å; K294-D305 HydrophobicContact CG-CB 4.31Å; D305-E307 WeakPolarHBondContact OD1-CA 3.41Å; D305-E307 WeakPolarHBondContact OD1-CB 3.46Å; D305-E307 PolarHBondContact OD1-N 3.48Å; D305-M308 HydrophobicContact CB-CB 4.14Å; D305-M308 WeakPolarHBondContact O-CB 3.41Å; D305-M308 PolarHBondContact O-N 3.41Å; D305-M308 PolarHBondContact OD1-N 3.1Å; D305-E309 PolarHBondContact O-N 2.75Å
306T97.4Very high93.2Very high93 Ų9375.8 Ų75.857%0.57136%0.361SS*.Hα-helixtrans-69.5-30.6-179.4-51.40000113M308 E309 Q310T306-M308 VanDerWaalsContact C-N 3.31Å; T306-E309 PolarHBondContact O-N 3.13Å; T306-Q310 WeakPolarHBondContact O-CG 3.35Å; T306-Q310 PolarHBondContact O-N 3.33Å
307E97.2Very high93.1Very high82 Ų8280.7 Ų80.738%0.38338%0.382SS..Hα-helixtrans-65.2-39.3174.3-172.4-177.5-137.500110.1R283 D305 E309 Q310 I311R283-E307 IonicContact CZ-OE2 3.49Å; R283-E307 IonicContact NH1-OE2 3.56Å; R283-E307 PolarHBondContact NH1-OE2 3.47Å; D305-E307 WeakPolarHBondContact OD1-CA 3.41Å; D305-E307 WeakPolarHBondContact OD1-CB 3.46Å; D305-E307 PolarHBondContact OD1-N 3.48Å; E307-E309 PolarHBondContact O-N 2.95Å; E307-Q310 WeakPolarHBondContact O-CB 3.48Å; E307-Q310 PolarHBondContact O-N 3.45Å; E307-I311 WeakPolarHBondContact O-CG1 3.49Å; E307-I311 PolarHBondContact O-N 3.2Å
308M97.8Very high92.7Very high1 Ų181.2 Ų81.21%0.00539%0.385CS..Hα-helixtrans-63.4-41.2175.5-167.666.9-134.300112P232 I274 M278 F292 D305 T306 I311 I312P232-M308 HydrophobicContact CG-CG 4.22Å; I274-M308 HydrophobicContact CD1-CE 4.45Å; I274-M308 HydrophobicContact CG2-CE 3.83Å; M278-M308 HydrophobicContact CE-SD 4.36Å; M278-M308 HydrophobicContact CG-CE 4.15Å; M278-M308 HydrophobicContact CG-SD 4.1Å; M278-M308 HydrophobicContact SD-CE 3.83Å; M278-M308 HydrophobicContact SD-SD 3.94Å; F292-M308 HydrophobicContact CD1-CE 4.35Å; F292-M308 HydrophobicContact CD1-SD 4.47Å; D305-M308 HydrophobicContact CB-CB 4.14Å; D305-M308 WeakPolarHBondContact O-CB 3.41Å; D305-M308 PolarHBondContact O-N 3.41Å; D305-M308 PolarHBondContact OD1-N 3.1Å; T306-M308 VanDerWaalsContact C-N 3.31Å; M308-I311 HydrophobicContact CE-CB 4.37Å; M308-I311 HydrophobicContact CE-CG2 4.21Å; M308-I311 PolarHBondContact O-N 3.17Å; M308-I311 HydrophobicContact SD-CD1 4.44Å; M308-I312 HydrophobicContact CE-CD1 3.98Å; M308-I312 HydrophobicContact CE-CG1 3.79Å; M308-I312 HydrophobicContact CG-CD1 4.24Å; M308-I312 WeakPolarHBondContact O-CG1 3.19Å; M308-I312 PolarHBondContact O-N 3.33Å
309E97.7Very high92.5Very high75 Ų7573.7 Ų73.735%0.3536%0.359SS..Hα-helixtrans-60.7-44.3173.6170.5163-160.900111.8L231 D305 T306 E307 I311 I312 R313L231-E309 HydrophobicContact CD1-CG 4.31Å; L231-E309 HydrophobicContact CD2-CB 3.95Å; L231-E309 HydrophobicContact CD2-CG 3.88Å; D305-E309 PolarHBondContact O-N 2.75Å; T306-E309 PolarHBondContact O-N 3.13Å; E307-E309 PolarHBondContact O-N 2.95Å; E309-I311 VanDerWaalsContact C-N 3.3Å; E309-I311 PolarHBondContact O-N 2.79Å; E309-I312 PolarHBondContact O-N 3.45Å; E309-R313 HydrophobicContact CG-CG 4.03Å; E309-R313 WeakPolarHBondContact O-CG 3.22Å; E309-R313 PolarHBondContact O-N 2.89Å; E309-R313 IonicContact OE1-CZ 2.76Å; E309-R313 IonicContact OE1-NE 3.56Å; E309-R313 PolarHBondContact OE1-NE 3.26Å; E309-R313 IonicContact OE1-NH2 2.69Å; E309-R313 PolarHBondContact OE1-NH2 3.1Å
310Q97Very high92.2Very high118 Ų11878.5 Ų78.555%0.55137%0.371SS*.Hα-helixtrans-59.4-40.1177-70.8170.4-12.200112.4T306 E307 R314T306-Q310 WeakPolarHBondContact O-CG 3.35Å; T306-Q310 PolarHBondContact O-N 3.33Å; E307-Q310 WeakPolarHBondContact O-CB 3.48Å; E307-Q310 PolarHBondContact O-N 3.45Å; Q310-R314 VanDerWaalsContact O-CB 3.28Å; Q310-R314 WeakPolarHBondContact O-CB 3.21Å; Q310-R314 PolarHBondContact O-N 3.12Å; Q310-R314 VanDerWaalsContact O-N 3.09Å
311I95.7Very high92.3Very high2 Ų276.9 Ų76.91%0.0137%0.367CS..Hα-helixtrans-61-50.1174.9-65.8165.9000110.1I274 E277 L281 E307 M308 E309 R314 V315I274-I311 HydrophobicContact CD1-CG2 4.06Å; E277-I311 HydrophobicContact CB-CG2 4.1Å; E277-I311 HydrophobicContact CG-CD1 3.89Å; E277-I311 HydrophobicContact CG-CG1 3.94Å; E277-I311 HydrophobicContact CG-CG2 3.85Å; L281-I311 HydrophobicContact CD1-CD1 3.82Å; E307-I311 WeakPolarHBondContact O-CG1 3.49Å; E307-I311 PolarHBondContact O-N 3.2Å; M308-I311 HydrophobicContact CE-CB 4.37Å; M308-I311 HydrophobicContact CE-CG2 4.21Å; M308-I311 PolarHBondContact O-N 3.17Å; M308-I311 HydrophobicContact SD-CD1 4.44Å; E309-I311 VanDerWaalsContact C-N 3.3Å; E309-I311 PolarHBondContact O-N 2.79Å; I311-R314 PolarHBondContact O-N 2.97Å; I311-V315 WeakPolarHBondContact O-CG2 3.49Å; I311-V315 PolarHBondContact O-N 3.31Å
312I96.4Very high92.4Very high0 Ų075 Ų750%037%0.368CS..Hα-helixtrans-62.1-47.6-177.7-69.5170.3000111.3M225 L231 P232 I274 M308 E309 R314 V315 S316M225-I312 HydrophobicContact CB-CD1 4.32Å; M225-I312 HydrophobicContact CB-CG1 4.3Å; M225-I312 HydrophobicContact CB-CG2 4.42Å; M225-I312 HydrophobicContact CG-CD1 4.25Å; M225-I312 WeakPolarHBondContact O-CG2 3.32Å; M225-I312 HydrophobicContact SD-CD1 3.96Å; L231-I312 HydrophobicContact CD2-CB 4.3Å; L231-I312 HydrophobicContact CD2-CD1 3.96Å; L231-I312 HydrophobicContact CD2-CG2 4.18Å; P232-I312 HydrophobicContact CG-CD1 4.11Å; I274-I312 HydrophobicContact CD1-CG1 4.01Å; M308-I312 HydrophobicContact CE-CD1 3.98Å; M308-I312 HydrophobicContact CE-CG1 3.79Å; M308-I312 HydrophobicContact CG-CD1 4.24Å; M308-I312 WeakPolarHBondContact O-CG1 3.19Å; M308-I312 PolarHBondContact O-N 3.33Å; E309-I312 PolarHBondContact O-N 3.45Å; I312-R314 VanDerWaalsContact C-N 3.34Å; I312-R314 PolarHBondContact O-N 2.83Å; I312-V315 PolarHBondContact O-N 3.27Å; I312-S316 WeakPolarHBondContact O-CB 3.28Å; I312-S316 PolarHBondContact O-N 3.29Å; I312-S316 PolarHBondContact O-OG 2.91Å
313R95.8Very high92.4Very high101 Ų10170.7 Ų70.738%0.38135%0.349SS..Hα-helixtrans-59.9-44.7179.1-64.4-73.3177.8-101.5-5.4111.3G229 E309 V315 S316 Q317G229-R313 PolarHBondContact O-NH1 2.97Å; E309-R313 HydrophobicContact CG-CG 4.03Å; E309-R313 WeakPolarHBondContact O-CG 3.22Å; E309-R313 PolarHBondContact O-N 2.89Å; E309-R313 IonicContact OE1-CZ 2.76Å; E309-R313 IonicContact OE1-NE 3.56Å; E309-R313 PolarHBondContact OE1-NE 3.26Å; E309-R313 IonicContact OE1-NH2 2.69Å; E309-R313 PolarHBondContact OE1-NH2 3.1Å; R313-V315 PolarHBondContact O-N 3.4Å; R313-S316 PolarHBondContact O-OG 3.26Å; R313-Q317 WeakPolarHBondContact O-CB 3.28Å; R313-Q317 PolarHBondContact O-N 3.47Å
314R94.3Very high92.1Very high124 Ų12474.8 Ų74.847%0.46837%0.369SS..Hα-helixtrans-62.7-41.2179.4-177.1176.365.6-123.58112.4E277 Q310 I311 I312E277-R314 IonicContact OE1-NH2 3.38Å; E277-R314 PolarHBondContact OE1-NH2 2.81Å; Q310-R314 VanDerWaalsContact O-CB 3.28Å; Q310-R314 WeakPolarHBondContact O-CB 3.21Å; Q310-R314 PolarHBondContact O-N 3.12Å; Q310-R314 VanDerWaalsContact O-N 3.09Å; I311-R314 PolarHBondContact O-N 2.97Å; I312-R314 VanDerWaalsContact C-N 3.34Å; I312-R314 PolarHBondContact O-N 2.83Å
315V91Very high92Very high35 Ų3571.4 Ų71.421%0.21235%0.351CS..Hα-helixtrans-74-43.5-179.1173.70000111.4Y226 P273 I274 I311 I312 R313 Q317Y226-V315 VanDerWaalsContact CB-CG1 3.49Å; P273-V315 HydrophobicContact CB-CG1 3.56Å; P273-V315 HydrophobicContact CB-CG2 4.21Å; P273-V315 HydrophobicContact CG-CG1 4.23Å; I274-V315 HydrophobicContact CD1-CB 4.24Å; I274-V315 HydrophobicContact CD1-CG1 4.37Å; I274-V315 HydrophobicContact CD1-CG2 4.22Å; I311-V315 WeakPolarHBondContact O-CG2 3.49Å; I311-V315 PolarHBondContact O-N 3.31Å; I312-V315 PolarHBondContact O-N 3.27Å; R313-V315 PolarHBondContact O-N 3.4Å; V315-Q317 PolarHBondContact O-N 2.91Å
316S92.4Very high91.8Very high19 Ų1976.3 Ų76.313%0.13338%0.375CS..Hα-helixtrans-74.5-20.7-177.654.30000114.5Y226 I312 R313 N318 A319Y226-S316 VanDerWaalsContact O-CA 3.26Å; Y226-S316 WeakPolarHBondContact O-CA 3.49Å; I312-S316 WeakPolarHBondContact O-CB 3.28Å; I312-S316 PolarHBondContact O-N 3.29Å; I312-S316 PolarHBondContact O-OG 2.91Å; R313-S316 PolarHBondContact O-OG 3.26Å; S316-N318 PolarHBondContact O-N 3.15Å; S316-N318 VanDerWaalsContact O-N 3.09Å; S316-A319 PolarHBondContact O-N 2.87Å
317Q88.2Confident91.8Very high156 Ų15675.1 Ų75.173%0.72937%0.365SS*.THydrogen-bonded Turntrans-54.5-34-177.6-173.9173.813.500114.1R313 V315R313-Q317 WeakPolarHBondContact O-CB 3.28Å; R313-Q317 PolarHBondContact O-N 3.47Å; V315-Q317 PolarHBondContact O-N 2.91Å
318N79.4Confident91.7Very high139 Ų13975.6 Ų75.674%0.74337%0.371SS*.THydrogen-bonded Turntrans-105-0.1-178.7-65.9-39.4000113.3S316S316-N318 PolarHBondContact O-N 3.15Å; S316-N318 VanDerWaalsContact O-N 3.09Å
319A80.1Confident91.7Very high36 Ų3679.7 Ų79.730%0.29839%0.39SS..  trans-74.5137.9-179.100000110.4Y226 E227 S316Y226-A319 VanDerWaalsContact O-CB 3.27Å; Y226-A319 WeakPolarHBondContact O-CB 3.42Å; E227-A319 HydrophobicContact CB-CB 4.44Å; S316-A319 PolarHBondContact O-N 2.87Å
320K75.6Confident91.6Very high195 Ų19577.8 Ų77.885%0.84838%0.382SS*.  trans-12796.1173.7-69.2-176.3179.7-179.90107.1
321S87.3Confident91.6Very high28 Ų2872.1 Ų72.120%0.19636%0.356CS..  trans-87.8134.1167.9-152.80000109E227 Y228 I323E227-S321 WeakPolarHBondContact OE2-CB 2.76Å; E227-S321 PolarHBondContact OE2-OG 3.43Å; Y228-S321 WeakPolarHBondContact OH-CB 3.36Å; Y228-S321 PolarHBondContact OH-OG 2.82Å; S321-I323 VanDerWaalsContact C-N 3.31Å
322N91.2Very high91.7Very high109 Ų10972.4 Ų72.458%0.58336%0.357SS*.SBendtrans-79.6-22.2175.5-66.4-32.4000111.4L397N322-L397 HydrophobicContact CB-CB 4Å; N322-L397 HydrophobicContact CB-CD2 4.36Å; N322-L397 PolarHBondContact ND2-O 2.9Å
323I93.4Very high91.7Very high2 Ų272.6 Ų72.61%0.0136%0.358CS..SBendtrans-76.1134.7177-64.9166.2000108.6Y228 S321 I325 F334 W394 L397 E398 Y404Y228-I323 WeakPolarHBondContact CE1-O 3.23Å; Y228-I323 WeakPolarHBondContact OH-CB 3.37Å; Y228-I323 PolarHBondContact OH-O 3.34Å; Y228-I323 VanDerWaalsContact OH-O 3.12Å; S321-I323 VanDerWaalsContact C-N 3.31Å; I323-I325 HydrophobicContact CG2-CD1 4.21Å; I323-F334 HydrophobicContact CD1-CE2 4.33Å; I323-F334 HydrophobicContact CG2-CD2 4.32Å; I323-F334 HydrophobicContact CG2-CE2 4.22Å; I323-W394 HydrophobicContact CD1-CB 3.74Å; I323-W394 HydrophobicContact CD1-CG 3.89Å; I323-W394 HydrophobicContact CG1-CB 4.26Å; I323-W394 HydrophobicContact CG1-CG 4.17Å; I323-W394 HydrophobicContact CG2-CG 4.23Å; I323-L397 HydrophobicContact CG1-CB 4.05Å; I323-L397 HydrophobicContact CG1-CD1 3.9Å; I323-E398 HydrophobicContact CD1-CB 4.4Å; I323-Y404 HydrophobicContact CD1-CD2 4.36Å; I323-Y404 HydrophobicContact CD1-CE2 3.68Å
324Q92.2Very high91.8Very high141 Ų14167.8 Ų67.866%0.65934%0.34SS*.  trans-94.7127-178.5-64.4-65.7-30.700110.3
325I94.8Very high91.9Very high15 Ų1561.9 Ų61.98%0.07732%0.318CS..  trans-127.1100.5174-56.1-64.1000107.2L224 Y228 Y230 I323 D330 V331 F334L224-I325 HydrophobicContact CD2-CG2 4.29Å; Y228-I325 HydrophobicContact CD1-CB 3.89Å; Y228-I325 HydrophobicContact CD1-CG1 3.98Å; Y228-I325 HydrophobicContact CE1-CB 3.73Å; Y228-I325 HydrophobicContact CE1-CG1 3.38Å; Y228-I325 HydrophobicContact CE2-CG1 4.22Å; Y230-I325 HydrophobicContact CE2-CG2 4.14Å; I323-I325 HydrophobicContact CG2-CD1 4.21Å; I325-D330 HydrophobicContact CB-CB 4.43Å; I325-D330 HydrophobicContact CD1-CB 3.97Å; I325-D330 HydrophobicContact CG2-CB 3.97Å; I325-V331 HydrophobicContact CG2-CG2 3.55Å; I325-F334 HydrophobicContact CD1-CB 3.73Å; I325-F334 HydrophobicContact CD1-CD2 3.76Å; I325-F334 HydrophobicContact CD1-CG 3.88Å; I325-F334 HydrophobicContact CG1-CD2 4.45Å
326I93.6Very high92.1Very high132 Ų13260.2 Ų60.268%0.67731%0.308SS*.  trans-114.4-12.8-169.458.6167.2000113.6D330I326-D330 WeakPolarHBondContact CG1-OD2 3.46Å; I326-D330 PolarHBondContact N-OD2 3.26Å
327N96.1Very high92.3Very high67 Ų6759.3 Ų59.336%0.35830%0.301SS..SBendtrans-147.8170.7-179.464.762.3000112.3Q329 D330 V331N327-Q329 PolarHBondContact O-N 3.2Å; N327-Q329 WeakPolarHBondContact OD1-CA 3.34Å; N327-Q329 VanDerWaalsContact OD1-CB 3.23Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.43Å; N327-Q329 PolarHBondContact OD1-N 3.5Å; N327-D330 PolarHBondContact N-OD2 2.74Å; N327-D330 PolarHBondContact ND2-OD2 3.27Å; N327-D330 WeakPolarHBondContact O-CB 3.3Å; N327-D330 PolarHBondContact O-N 3.12Å; N327-D330 VanDerWaalsContact O-N 3.15Å; N327-D330 PolarHBondContact OD1-N 3.47Å; N327-V331 PolarHBondContact O-N 2.82Å
328D96.9Very high92.8Very high93 Ų9352 Ų5250%0.49727%0.267SS..Hα-helixtrans-59.9-31.4-179.7-71.210.5000113.4I238 V331 I332I238-D328 HydrophobicContact CD1-CB 4.36Å; I238-D328 HydrophobicContact CG1-CB 4.28Å; I238-D328 HydrophobicContact CG2-CB 4.38Å; D328-V331 WeakPolarHBondContact O-CB 3.4Å; D328-V331 PolarHBondContact O-N 3.49Å; D328-I332 WeakPolarHBondContact O-CG1 3.48Å; D328-I332 PolarHBondContact O-N 3.39Å; D328-I332 VanDerWaalsContact O-N 3.07Å
329Q95.9Very high93.5Very high87 Ų8745.4 Ų45.441%0.40723%0.232SC..Hα-helixtrans-69.9-38.2177.7-173.462.254.300111.2N327 V331 I332 N333N327-Q329 PolarHBondContact O-N 3.2Å; N327-Q329 WeakPolarHBondContact OD1-CA 3.34Å; N327-Q329 VanDerWaalsContact OD1-CB 3.23Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.43Å; N327-Q329 PolarHBondContact OD1-N 3.5Å; Q329-V331 VanDerWaalsContact C-N 3.29Å; Q329-V331 PolarHBondContact O-N 3.04Å; Q329-I332 PolarHBondContact O-N 3.46Å; Q329-N333 PolarHBondContact NE2-OD1 2.88Å; Q329-N333 PolarHBondContact O-N 3.11Å; Q329-N333 PolarHBondContact O-ND2 3.22Å; Q329-N333 PolarHBondContact O-OD1 3.43Å
330D96.7Very high94.2Very high34 Ų3443.7 Ų43.718%0.18222%0.218CC..Hα-helixtrans-63.7-39.2174.8-59.4-26000110.8I325 I326 N327 I332 N333 F334I325-D330 HydrophobicContact CB-CB 4.43Å; I325-D330 HydrophobicContact CD1-CB 3.97Å; I325-D330 HydrophobicContact CG2-CB 3.97Å; I326-D330 WeakPolarHBondContact CG1-OD2 3.46Å; I326-D330 PolarHBondContact N-OD2 3.26Å; N327-D330 PolarHBondContact N-OD2 2.74Å; N327-D330 PolarHBondContact ND2-OD2 3.27Å; N327-D330 WeakPolarHBondContact O-CB 3.3Å; N327-D330 PolarHBondContact O-N 3.12Å; N327-D330 VanDerWaalsContact O-N 3.15Å; N327-D330 PolarHBondContact OD1-N 3.47Å; D330-I332 PolarHBondContact O-N 3.39Å; D330-N333 PolarHBondContact O-N 3.07Å; D330-F334 WeakPolarHBondContact O-CB 3.19Å; D330-F334 PolarHBondContact O-N 3.47Å
331V97.6Very high95.3Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-58.5-47.7173.9169.90000110.8L224 Y230 I238 I325 N327 D328 Q329 F334 M335L224-V331 HydrophobicContact CD1-CG1 3.77Å; L224-V331 HydrophobicContact CD2-CG2 4.31Å; Y230-V331 HydrophobicContact CE1-CG2 3.81Å; Y230-V331 HydrophobicContact CE2-CG2 4.18Å; I238-V331 HydrophobicContact CB-CG1 4.33Å; I238-V331 HydrophobicContact CD1-CB 4.11Å; I238-V331 HydrophobicContact CD1-CG1 3.77Å; I238-V331 HydrophobicContact CD1-CG2 4.14Å; I238-V331 HydrophobicContact CG2-CB 4.28Å; I238-V331 HydrophobicContact CG2-CG1 3.83Å; I325-V331 HydrophobicContact CG2-CG2 3.55Å; N327-V331 PolarHBondContact O-N 2.82Å; D328-V331 WeakPolarHBondContact O-CB 3.4Å; D328-V331 PolarHBondContact O-N 3.49Å; Q329-V331 VanDerWaalsContact C-N 3.29Å; Q329-V331 PolarHBondContact O-N 3.04Å; V331-F334 PolarHBondContact O-N 3.36Å; V331-M335 HydrophobicContact CG1-CE 3.41Å; V331-M335 VanDerWaalsContact CG1-CE 3.41Å; V331-M335 VanDerWaalsContact O-CE 3.22Å; V331-M335 WeakPolarHBondContact O-CE 3.4Å; V331-M335 PolarHBondContact O-N 3.42Å
332I96.4Very high95.7Very high7 Ų734.5 Ų34.54%0.03618%0.175CC..Hα-helixtrans-60.5-48.4174.8-68.2-62000111.3I238 I239 F242 D328 Q329 D330 F334 M335 L336I238-I332 HydrophobicContact CG2-CD1 3.56Å; I238-I332 HydrophobicContact CG2-CG1 3.7Å; I239-I332 HydrophobicContact CD1-CD1 3.96Å; F242-I332 HydrophobicContact CB-CD1 3.64Å; F242-I332 HydrophobicContact CB-CG1 4.45Å; F242-I332 HydrophobicContact CD2-CD1 4.1Å; F242-I332 HydrophobicContact CD2-CG1 4.27Å; F242-I332 HydrophobicContact CD2-CG2 3.82Å; F242-I332 HydrophobicContact CE2-CG2 3.86Å; F242-I332 HydrophobicContact CG-CD1 3.95Å; D328-I332 WeakPolarHBondContact O-CG1 3.48Å; D328-I332 PolarHBondContact O-N 3.39Å; D328-I332 VanDerWaalsContact O-N 3.07Å; Q329-I332 PolarHBondContact O-N 3.46Å; D330-I332 PolarHBondContact O-N 3.39Å; I332-F334 VanDerWaalsContact C-N 3.31Å; I332-F334 PolarHBondContact O-N 2.99Å; I332-M335 HydrophobicContact CD1-CE 4.45Å; I332-M335 PolarHBondContact O-N 2.89Å; I332-L336 HydrophobicContact CG2-CD1 3.81Å; I332-L336 HydrophobicContact CG2-CG 4.14Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 WeakPolarHBondContact O-CG 3.38Å; I332-L336 PolarHBondContact O-N 3.27Å
333N97Very high95.8Very high5 Ų529.3 Ų29.33%0.02715%0.147CC..Hα-helixtrans-60-44.4-179.4-61.4-17.1000110.8Q329 D330 M335 L336 Y337 W394Q329-N333 PolarHBondContact NE2-OD1 2.88Å; Q329-N333 PolarHBondContact O-N 3.11Å; Q329-N333 PolarHBondContact O-ND2 3.22Å; Q329-N333 PolarHBondContact O-OD1 3.43Å; D330-N333 PolarHBondContact O-N 3.07Å; N333-M335 VanDerWaalsContact C-N 3.28Å; N333-M335 PolarHBondContact O-N 3.39Å; N333-L336 PolarHBondContact O-N 3.3Å; N333-Y337 HydrophobicContact CB-CD1 4.27Å; N333-Y337 HydrophobicContact CB-CD2 4.23Å; N333-Y337 HydrophobicContact CB-CE1 4.05Å; N333-Y337 HydrophobicContact CB-CE2 4.04Å; N333-Y337 HydrophobicContact CB-CG 4.36Å; N333-Y337 VanDerWaalsContact O-CB 3.26Å; N333-Y337 WeakPolarHBondContact O-CB 3.37Å; N333-Y337 PolarHBondContact O-N 3.22Å; N333-Y337 PolarHBondContact OD1-OH 3.49Å; N333-W394 HydrophobicContact CB-CH2 4Å; N333-W394 HydrophobicContact CB-CZ2 4.45Å
334F97.6Very high95.8Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-63.9-31.9-177-172.4-100.4000113.2Q220 K223 L224 Y228 I323 I325 D330 V331 I332 P338 W394 Y404Q220-F334 HydrophobicContact CB-CD1 4.38Å; Q220-F334 HydrophobicContact CB-CE1 4.34Å; Q220-F334 VanDerWaalsContact NE2-CE1 3.28Å; Q220-F334 PolarHBondContact NE2-O 3.36Å; Q220-F334 WeakPolarHBondContact O-CE1 3.4Å; K223-F334 HydrophobicContact CB-CE1 3.75Å; K223-F334 HydrophobicContact CB-CZ 4Å; K223-F334 HydrophobicContact CD-CE1 4.36Å; K223-F334 HydrophobicContact CD-CZ 4Å; L224-F334 HydrophobicContact CD2-CD1 3.8Å; L224-F334 HydrophobicContact CD2-CE1 4.24Å; L224-F334 HydrophobicContact CG-CD1 3.94Å; L224-F334 HydrophobicContact CG-CE1 4.23Å; Y228-F334 HydrophobicContact CE2-CE1 4.42Å; Y228-F334 HydrophobicContact CE2-CZ 4.1Å; I323-F334 HydrophobicContact CD1-CE2 4.33Å; I323-F334 HydrophobicContact CG2-CD2 4.32Å; I323-F334 HydrophobicContact CG2-CE2 4.22Å; I325-F334 HydrophobicContact CD1-CB 3.73Å; I325-F334 HydrophobicContact CD1-CD2 3.76Å; I325-F334 HydrophobicContact CD1-CG 3.88Å; I325-F334 HydrophobicContact CG1-CD2 4.45Å; D330-F334 WeakPolarHBondContact O-CB 3.19Å; D330-F334 PolarHBondContact O-N 3.47Å; V331-F334 PolarHBondContact O-N 3.36Å; I332-F334 VanDerWaalsContact C-N 3.31Å; I332-F334 PolarHBondContact O-N 2.99Å; F334-P338 WeakPolarHBondContact O-CD 3.27Å; F334-P338 WeakPolarHBondContact O-CG 3.09Å; F334-W394 HydrophobicContact CB-CH2 4.33Å; F334-Y404 WeakPolarHBondContact CE2-OH 3.2Å; F334-Y404 WeakPolarHBondContact CZ-OH 3.37Å
335M96.4Very high96Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-83.1-45.9173.4-71.8-179.7-71.300112.4Y217 S221 L224 I235 I239 V331 I332 N333 T339Y217-M335 HydrophobicContact CD2-CB 4.23Å; Y217-M335 HydrophobicContact CE2-CB 4.11Å; Y217-M335 HydrophobicContact CE2-SD 4.42Å; S221-M335 PolarHBondContact OG-SD 2.95Å; L224-M335 HydrophobicContact CD1-CE 4.04Å; L224-M335 HydrophobicContact CD1-CG 3.85Å; L224-M335 HydrophobicContact CD1-SD 3.78Å; I235-M335 HydrophobicContact CG2-CE 4.3Å; I235-M335 HydrophobicContact CG2-SD 3.85Å; I239-M335 HydrophobicContact CD1-CE 3.33Å; I239-M335 HydrophobicContact CD1-SD 3.79Å; I239-M335 HydrophobicContact CG1-CE 3.6Å; I239-M335 HydrophobicContact CG1-SD 3.93Å; V331-M335 HydrophobicContact CG1-CE 3.41Å; V331-M335 VanDerWaalsContact CG1-CE 3.41Å; V331-M335 VanDerWaalsContact O-CE 3.22Å; V331-M335 WeakPolarHBondContact O-CE 3.4Å; V331-M335 PolarHBondContact O-N 3.42Å; I332-M335 HydrophobicContact CD1-CE 4.45Å; I332-M335 PolarHBondContact O-N 2.89Å; N333-M335 VanDerWaalsContact C-N 3.28Å; N333-M335 PolarHBondContact O-N 3.39Å; M335-T339 PolarHBondContact O-OG1 3.45Å
336L95.5Very high95.9Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-88.5-34-166.5-57.9-165.4000113.8Y217 F242 F244 I332 N333 T339 V340 W368 F378Y217-L336 HydrophobicContact CD2-CD2 4.03Å; Y217-L336 HydrophobicContact CE2-CD2 3.81Å; F242-L336 HydrophobicContact CD1-CD1 4.22Å; F242-L336 HydrophobicContact CE1-CD1 3.6Å; F242-L336 HydrophobicContact CE2-CD1 4.14Å; F242-L336 HydrophobicContact CZ-CD1 3.55Å; F244-L336 HydrophobicContact CE2-CD1 4.47Å; F244-L336 HydrophobicContact CE2-CD2 4.33Å; F244-L336 HydrophobicContact CZ-CD2 4.28Å; I332-L336 HydrophobicContact CG2-CD1 3.81Å; I332-L336 HydrophobicContact CG2-CG 4.14Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 WeakPolarHBondContact O-CG 3.38Å; I332-L336 PolarHBondContact O-N 3.27Å; N333-L336 PolarHBondContact O-N 3.3Å; L336-T339 WeakPolarHBondContact O-CB 3.27Å; L336-T339 PolarHBondContact O-N 2.98Å; L336-V340 WeakPolarHBondContact O-CG2 3.5Å; L336-V340 PolarHBondContact O-N 2.93Å; L336-W368 HydrophobicContact CB-CH2 4.48Å; L336-W368 HydrophobicContact CD1-CH2 4Å; L336-W368 HydrophobicContact CD1-CZ2 4.13Å; L336-W368 HydrophobicContact CD2-CH2 3.75Å; L336-W368 HydrophobicContact CD2-CZ3 4.16Å; L336-W368 HydrophobicContact CG-CH2 4.28Å; L336-F378 HydrophobicContact CB-CE1 4Å; L336-F378 HydrophobicContact CD1-CD1 4.46Å; L336-F378 HydrophobicContact CD1-CE1 4.03Å; L336-F378 HydrophobicContact CD1-CZ 4.21Å
337Y97Very high95.8Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-64.1-44.1-177.4-71.612000112.3N333 T339 V340 N341 F378 E382 K386 I387 M390 W394N333-Y337 HydrophobicContact CB-CD1 4.27Å; N333-Y337 HydrophobicContact CB-CD2 4.23Å; N333-Y337 HydrophobicContact CB-CE1 4.05Å; N333-Y337 HydrophobicContact CB-CE2 4.04Å; N333-Y337 HydrophobicContact CB-CG 4.36Å; N333-Y337 VanDerWaalsContact O-CB 3.26Å; N333-Y337 WeakPolarHBondContact O-CB 3.37Å; N333-Y337 PolarHBondContact O-N 3.22Å; N333-Y337 PolarHBondContact OD1-OH 3.49Å; Y337-T339 VanDerWaalsContact C-N 3.27Å; Y337-T339 PolarHBondContact O-N 3.17Å; Y337-V340 PolarHBondContact O-N 3.29Å; Y337-N341 PolarHBondContact O-N 2.95Å; Y337-F378 HydrophobicContact CD1-CE1 4.42Å; Y337-F378 HydrophobicContact CE1-CE1 4.31Å; Y337-F378 HydrophobicContact CE1-CZ 4.49Å; Y337-E382 HydrophobicContact CE1-CG 3.85Å; Y337-E382 WeakPolarHBondContact OH-CG 3.48Å; Y337-E382 PolarHBondContact OH-OE1 3.17Å; Y337-K386 VanDerWaalsContact OH-CE 3.24Å; Y337-K386 WeakPolarHBondContact OH-CE 3.26Å; Y337-I387 HydrophobicContact CD1-CD1 4.22Å; Y337-I387 HydrophobicContact CD1-CG1 3.89Å; Y337-I387 HydrophobicContact CD2-CB 4.25Å; Y337-I387 HydrophobicContact CD2-CG1 4.04Å; Y337-I387 HydrophobicContact CD2-CG2 4.16Å; Y337-I387 HydrophobicContact CE1-CD1 4.24Å; Y337-I387 HydrophobicContact CE1-CG1 3.78Å; Y337-I387 HydrophobicContact CE2-CB 4.41Å; Y337-I387 HydrophobicContact CE2-CG1 3.91Å; Y337-I387 HydrophobicContact CG-CB 4.42Å; Y337-I387 HydrophobicContact CG-CG1 4.02Å; Y337-I387 HydrophobicContact CG-CG2 4.03Å; Y337-M390 HydrophobicContact CD2-CB 3.91Å; Y337-M390 HydrophobicContact CD2-CG 4.03Å; Y337-M390 HydrophobicContact CE2-CB 3.86Å; Y337-M390 HydrophobicContact CE2-CG 4.02Å; Y337-W394 HydrophobicContact CD2-CH2 4.17Å; Y337-W394 HydrophobicContact CD2-CZ3 4.36Å
338P97.5Very high95.6Very high1 Ų120 Ų201%0.00610%0.097CC..Hα-helixtrans-63.5-33.8174.4-23.637.6000112.3V216 Q220 F334 N341 E342 L391 W394 A403 Y404V216-P338 HydrophobicContact CG1-CB 3.65Å; Q220-P338 HydrophobicContact CG-CB 4.19Å; Q220-P338 HydrophobicContact CG-CG 4.08Å; F334-P338 WeakPolarHBondContact O-CD 3.27Å; F334-P338 WeakPolarHBondContact O-CG 3.09Å; P338-N341 WeakPolarHBondContact O-CB 3.3Å; P338-N341 PolarHBondContact O-N 3.17Å; P338-E342 PolarHBondContact O-N 3.38Å; P338-L391 HydrophobicContact CG-CD2 4.18Å; P338-W394 HydrophobicContact CG-CZ3 4.32Å; P338-A403 HydrophobicContact CB-CB 4.17Å; P338-Y404 HydrophobicContact CG-CD1 4.15Å; P338-Y404 HydrophobicContact CG-CE1 4.05Å
339T95.3Very high95.3Very high1 Ų120.3 Ų20.31%0.00610%0.095CC..Hα-helixtrans-65.9-40.9174.2-530000112.4L213 Y217 M335 L336 Y337 N341 E342 G343L213-T339 HydrophobicContact CB-CG2 4.07Å; L213-T339 HydrophobicContact CD2-CG2 4.05Å; L213-T339 HydrophobicContact CG-CG2 4.17Å; Y217-T339 WeakPolarHBondContact CB-OG1 3.47Å; M335-T339 PolarHBondContact O-OG1 3.45Å; L336-T339 WeakPolarHBondContact O-CB 3.27Å; L336-T339 PolarHBondContact O-N 2.98Å; Y337-T339 VanDerWaalsContact C-N 3.27Å; Y337-T339 PolarHBondContact O-N 3.17Å; T339-N341 VanDerWaalsContact C-N 3.32Å; T339-E342 PolarHBondContact O-N 3.39Å; T339-G343 PolarHBondContact O-N 3.42Å
340V95.3Very high94.9Very high0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-62.1-43.3173.2173.60000110.4L336 Y337 E342 G343 Y344 P375 F378 I387L336-V340 WeakPolarHBondContact O-CG2 3.5Å; L336-V340 PolarHBondContact O-N 2.93Å; Y337-V340 PolarHBondContact O-N 3.29Å; V340-E342 PolarHBondContact O-N 2.97Å; V340-G343 WeakPolarHBondContact O-CA 3.28Å; V340-G343 PolarHBondContact O-N 2.93Å; V340-G343 VanDerWaalsContact O-N 3.15Å; V340-Y344 HydrophobicContact CG1-CD2 4.06Å; V340-Y344 HydrophobicContact CG1-CE2 3.83Å; V340-Y344 WeakPolarHBondContact O-CD2 3.49Å; V340-Y344 PolarHBondContact O-N 3.44Å; V340-Y344 VanDerWaalsContact O-N 3.12Å; V340-P375 HydrophobicContact CG2-CB 4.29Å; V340-P375 VanDerWaalsContact CG2-O 3.27Å; V340-P375 WeakPolarHBondContact CG2-O 3.45Å; V340-F378 HydrophobicContact CG2-CD1 4.23Å; V340-I387 HydrophobicContact CG1-CD1 4.44Å
341N97Very high94.5Very high2 Ų216.9 Ų16.91%0.0119%0.09CC..Hα-helixtrans-59.8-44.4176.5-17349000112.1Y337 P338 T339 G343 Y344 R345 L391 A403 I405 V406 A407 L410Y337-N341 PolarHBondContact O-N 2.95Å; P338-N341 WeakPolarHBondContact O-CB 3.3Å; P338-N341 PolarHBondContact O-N 3.17Å; T339-N341 VanDerWaalsContact C-N 3.32Å; N341-G343 VanDerWaalsContact C-N 3.29Å; N341-G343 PolarHBondContact O-N 3.25Å; N341-Y344 PolarHBondContact O-N 3.38Å; N341-Y344 VanDerWaalsContact O-N 3.13Å; N341-R345 PolarHBondContact O-N 2.98Å; N341-L391 HydrophobicContact CB-CD1 3.73Å; N341-A403 PolarHBondContact ND2-O 2.97Å; N341-I405 PolarHBondContact ND2-O 2.95Å; N341-V406 WeakPolarHBondContact OD1-CA 3.27Å; N341-A407 PolarHBondContact OD1-N 3.34Å; N341-L410 HydrophobicContact CB-CD1 4.24Å
342E95.5Very high94.1Very high28 Ų2817 Ų1713%0.1319%0.091CC..Hα-helixtrans-63.6-35.1175-173.561.1-165.700112R212 L213 V216 P338 T339 V340 Y344 R345 C346R212-E342 HydrophobicContact CB-CG 4.42Å; R212-E342 IonicContact CZ-OE1 2.73Å; R212-E342 IonicContact NE-OE1 3.64Å; R212-E342 PolarHBondContact NE-OE1 3.31Å; R212-E342 IonicContact NH2-OE1 2.84Å; R212-E342 PolarHBondContact NH2-OE1 3.05Å; L213-E342 HydrophobicContact CD1-CB 4.34Å; L213-E342 HydrophobicContact CD1-CG 3.82Å; L213-E342 HydrophobicContact CG-CB 4.18Å; L213-E342 HydrophobicContact CG-CG 4.05Å; V216-E342 HydrophobicContact CB-CB 4.43Å; V216-E342 HydrophobicContact CG2-CB 4.03Å; V216-E342 HydrophobicContact CG2-CG 3.85Å; P338-E342 PolarHBondContact O-N 3.38Å; T339-E342 PolarHBondContact O-N 3.39Å; V340-E342 PolarHBondContact O-N 2.97Å; E342-Y344 VanDerWaalsContact C-N 3.35Å; E342-Y344 PolarHBondContact O-N 2.56Å; E342-R345 WeakPolarHBondContact O-CA 3.43Å; E342-R345 VanDerWaalsContact O-CB 3.29Å; E342-R345 WeakPolarHBondContact O-CB 3.3Å; E342-R345 PolarHBondContact O-N 2.83Å; E342-R345 VanDerWaalsContact O-N 3.13Å; E342-C346 PolarHBondContact O-N 3.45Å; E342-C346 PolarHBondContact O-SG 2.61Å; E342-C346 VanDerWaalsContact O-SG 3.38Å
343G93.8Very high93.3Very high0 Ų021.2 Ų21.20%012%0.12CC..Hα-helixtrans-57.2-45.6170.300000112.8T339 V340 N341 R345 C346 I347 I358 M376T339-G343 PolarHBondContact O-N 3.42Å; V340-G343 WeakPolarHBondContact O-CA 3.28Å; V340-G343 PolarHBondContact O-N 2.93Å; V340-G343 VanDerWaalsContact O-N 3.15Å; N341-G343 VanDerWaalsContact C-N 3.29Å; N341-G343 PolarHBondContact O-N 3.25Å; G343-R345 VanDerWaalsContact C-N 3.32Å; G343-C346 PolarHBondContact O-N 3.29Å; G343-I347 WeakPolarHBondContact O-CG1 3.44Å; G343-I347 PolarHBondContact O-N 2.63Å; G343-I358 VanDerWaalsContact O-CD1 3.32Å; G343-I358 WeakPolarHBondContact O-CD1 2.97Å; G343-M376 VanDerWaalsContact C-CE 3.45Å
344Y94.5Very high92.6Very high4 Ų423.3 Ų23.32%0.01613%0.132CC..Hα-helixtrans-69-31.4174.6-77.8-74.8000112.5V340 N341 E342 I347 E348 E355 M376 L384 A409 L410 A413V340-Y344 HydrophobicContact CG1-CD2 4.06Å; V340-Y344 HydrophobicContact CG1-CE2 3.83Å; V340-Y344 WeakPolarHBondContact O-CD2 3.49Å; V340-Y344 PolarHBondContact O-N 3.44Å; V340-Y344 VanDerWaalsContact O-N 3.12Å; N341-Y344 PolarHBondContact O-N 3.38Å; N341-Y344 VanDerWaalsContact O-N 3.13Å; E342-Y344 VanDerWaalsContact C-N 3.35Å; E342-Y344 PolarHBondContact O-N 2.56Å; Y344-I347 HydrophobicContact CD1-CD1 4.32Å; Y344-I347 PolarHBondContact O-N 2.77Å; Y344-E348 PolarHBondContact O-N 3.07Å; Y344-E355 HydrophobicContact CE1-CG 4.43Å; Y344-M376 HydrophobicContact CD1-CE 3.93Å; Y344-M376 HydrophobicContact CD2-CE 3.7Å; Y344-M376 HydrophobicContact CE1-CE 3.99Å; Y344-M376 HydrophobicContact CE2-CE 3.76Å; Y344-M376 HydrophobicContact CG-CE 3.78Å; Y344-L384 HydrophobicContact CE2-CD1 4.47Å; Y344-L384 HydrophobicContact CE2-CD2 3.89Å; Y344-L384 VanDerWaalsContact OH-CD1 3.28Å; Y344-L384 WeakPolarHBondContact OH-CD1 3.07Å; Y344-A409 HydrophobicContact CD1-CB 4.16Å; Y344-L410 HydrophobicContact CD1-CB 4.35Å; Y344-L410 HydrophobicContact CD2-CB 3.77Å; Y344-L410 HydrophobicContact CD2-CD1 3.77Å; Y344-L410 HydrophobicContact CD2-CG 3.73Å; Y344-L410 HydrophobicContact CE2-CB 4.44Å; Y344-L410 HydrophobicContact CE2-CD1 4.31Å; Y344-L410 HydrophobicContact CE2-CG 4.06Å; Y344-L410 HydrophobicContact CG-CB 3.73Å; Y344-L410 HydrophobicContact CG-CG 4.22Å; Y344-A413 HydrophobicContact CD1-CB 4.46Å; Y344-A413 HydrophobicContact CE1-CB 3.62Å
345R95Very high92Very high46 Ų4625.5 Ų25.517%0.17414%0.142CC..Hα-helixtrans-61.7-43.9172.9-163.870.470.1-174.84.3111.4N341 E342 G343 I347 E348 E349 I405 A407N341-R345 PolarHBondContact O-N 2.98Å; E342-R345 WeakPolarHBondContact O-CA 3.43Å; E342-R345 VanDerWaalsContact O-CB 3.29Å; E342-R345 WeakPolarHBondContact O-CB 3.3Å; E342-R345 PolarHBondContact O-N 2.83Å; E342-R345 VanDerWaalsContact O-N 3.13Å; G343-R345 VanDerWaalsContact C-N 3.32Å; R345-I347 PolarHBondContact O-N 3.04Å; R345-E348 WeakPolarHBondContact CD-OE1 3.43Å; R345-E348 IonicContact CZ-OE1 3.31Å; R345-E348 IonicContact NE-OE1 3.67Å; R345-E348 IonicContact NH1-OE1 2.82Å; R345-E348 PolarHBondContact NH1-OE1 3.1Å; R345-E348 WeakPolarHBondContact O-CG 3.12Å; R345-E348 PolarHBondContact O-N 2.87Å; R345-E349 VanDerWaalsContact CG-OE1 3.31Å; R345-E349 WeakPolarHBondContact CG-OE1 3.37Å; R345-E349 WeakPolarHBondContact O-CB 3.07Å; R345-E349 VanDerWaalsContact O-CG 3.31Å; R345-E349 WeakPolarHBondContact O-CG 3.31Å; R345-E349 PolarHBondContact O-N 3.07Å; R345-E349 VanDerWaalsContact O-N 3.1Å; R345-I405 PolarHBondContact NH2-O 3.09Å; R345-A407 HydrophobicContact CB-CB 4.48Å
346C92.9Very high91.4Very high0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-62.1-31.9174.1-660000113.1V209 E342 G343 G350 V351 I352V209-C346 HydrophobicContact CG1-CB 4.27Å; E342-C346 PolarHBondContact O-N 3.45Å; E342-C346 PolarHBondContact O-SG 2.61Å; E342-C346 VanDerWaalsContact O-SG 3.38Å; G343-C346 PolarHBondContact O-N 3.29Å; C346-G350 PolarHBondContact O-N 3.36Å; C346-V351 HydrophobicContact CB-CB 4.43Å; C346-V351 WeakPolarHBondContact O-CB 3.35Å; C346-V351 PolarHBondContact O-N 2.85Å; C346-I352 HydrophobicContact CB-CG2 3.93Å; C346-I352 PolarHBondContact O-N 3.06Å
347I91.6Very high90.9Very high37 Ų3727.8 Ų27.819%0.1916%0.157CC..Hα-helixtrans-72.9-48.1177.2-65.8168.4000111.1G343 Y344 R345 E349 G350 I352 E355 I358 M376G343-I347 WeakPolarHBondContact O-CG1 3.44Å; G343-I347 PolarHBondContact O-N 2.63Å; Y344-I347 HydrophobicContact CD1-CD1 4.32Å; Y344-I347 PolarHBondContact O-N 2.77Å; R345-I347 PolarHBondContact O-N 3.04Å; I347-E349 VanDerWaalsContact C-N 3.26Å; I347-E349 PolarHBondContact O-N 2.87Å; I347-G350 PolarHBondContact O-N 3.19Å; I347-I352 HydrophobicContact CG1-CG2 3.81Å; I347-E355 HydrophobicContact CD1-CB 4.45Å; I347-E355 HydrophobicContact CD1-CG 3.66Å; I347-I358 HydrophobicContact CD1-CD1 3.83Å; I347-I358 HydrophobicContact CG1-CD1 3.89Å; I347-M376 HydrophobicContact CD1-CE 3.57Å
348E92.4Very high90.5Very high74 Ų7427.8 Ų27.835%0.34616%0.157SC..Hα-helixtrans-66.3-30-178.473.8-175.3-155.400112.9Y344 R345 G350 A407 D408 A409Y344-E348 PolarHBondContact O-N 3.07Å; R345-E348 WeakPolarHBondContact CD-OE1 3.43Å; R345-E348 IonicContact CZ-OE1 3.31Å; R345-E348 IonicContact NE-OE1 3.67Å; R345-E348 IonicContact NH1-OE1 2.82Å; R345-E348 PolarHBondContact NH1-OE1 3.1Å; R345-E348 WeakPolarHBondContact O-CG 3.12Å; R345-E348 PolarHBondContact O-N 2.87Å; E348-G350 PolarHBondContact O-N 3.29Å; E348-A407 WeakPolarHBondContact OE2-CB 3.45Å; E348-D408 PolarHBondContact OE2-N 3.21Å; E348-A409 HydrophobicContact CB-CB 3.77Å; E348-A409 PolarHBondContact OE2-N 3.2Å
349E90.7Very high89.9Confident100 Ų10028.4 Ų28.447%0.46716%0.16SC..THydrogen-bonded Turntrans-76.7-5.1173-69.3176.5-152.100113.1R212 R345 I347 V351R212-E349 IonicContact CZ-OE1 2.95Å; R212-E349 IonicContact CZ-OE2 2.79Å; R212-E349 IonicContact NH1-OE1 3.96Å; R212-E349 IonicContact NH1-OE2 3.15Å; R212-E349 PolarHBondContact NH1-OE2 3.15Å; R212-E349 IonicContact NH2-OE1 2.68Å; R212-E349 PolarHBondContact NH2-OE1 3.17Å; R212-E349 IonicContact NH2-OE2 2.74Å; R212-E349 PolarHBondContact NH2-OE2 3.2Å; R345-E349 VanDerWaalsContact CG-OE1 3.31Å; R345-E349 WeakPolarHBondContact CG-OE1 3.37Å; R345-E349 WeakPolarHBondContact O-CB 3.07Å; R345-E349 VanDerWaalsContact O-CG 3.31Å; R345-E349 WeakPolarHBondContact O-CG 3.31Å; R345-E349 PolarHBondContact O-N 3.07Å; R345-E349 VanDerWaalsContact O-N 3.1Å; I347-E349 VanDerWaalsContact C-N 3.26Å; I347-E349 PolarHBondContact O-N 2.87Å; E349-V351 HydrophobicContact CB-CG2 3.85Å; E349-V351 PolarHBondContact O-N 3.25Å
350G87.9Confident89.4Confident41 Ų4129.3 Ų29.342%0.42317%0.165SC..THydrogen-bonded Turntrans69.719.4-178.800000114.2Y176 C346 I347 E348 I352Y176-G350 PolarHBondContact OH-O 2.95Å; Y176-G350 VanDerWaalsContact OH-O 3.14Å; C346-G350 PolarHBondContact O-N 3.36Å; I347-G350 PolarHBondContact O-N 3.19Å; E348-G350 PolarHBondContact O-N 3.29Å; G350-I352 VanDerWaalsContact C-N 3.33Å
351V88.4Confident88.8Confident8 Ų829.3 Ų29.35%0.04817%0.165CC..SBendtrans-75.8-27176.2-172.50000110.6V202 G203 C205 V209 C346 E349V202-V351 CarbonylContact C-O 3.5Å; V202-V351 WeakPolarHBondContact CA-O 3.43Å; G203-V351 PolarHBondContact N-O 2.75Å; C205-V351 HydrophobicContact CB-CG1 3.94Å; C205-V351 HydrophobicContact CB-CG2 3.82Å; C205-V351 VanDerWaalsContact SG-CG1 3.53Å; V209-V351 HydrophobicContact CG2-CB 4.36Å; V209-V351 HydrophobicContact CG2-CG1 3.52Å; C346-V351 HydrophobicContact CB-CB 4.43Å; C346-V351 WeakPolarHBondContact O-CB 3.35Å; C346-V351 PolarHBondContact O-N 2.85Å; E349-V351 HydrophobicContact CB-CG2 3.85Å; E349-V351 PolarHBondContact O-N 3.25Å
352I87.9Confident88.2Confident4 Ų429.3 Ų29.32%0.02117%0.165CC..  trans-142.4136.9173.7-165.7155.3000110.4V202 V209 C346 I347 G350 L357 I358 M361V202-I352 HydrophobicContact CG1-CD1 4.11Å; V209-I352 HydrophobicContact CG1-CD1 4.3Å; V209-I352 HydrophobicContact CG2-CB 4.13Å; V209-I352 HydrophobicContact CG2-CD1 4.33Å; C346-I352 HydrophobicContact CB-CG2 3.93Å; C346-I352 PolarHBondContact O-N 3.06Å; I347-I352 HydrophobicContact CG1-CG2 3.81Å; G350-I352 VanDerWaalsContact C-N 3.33Å; I352-L357 HydrophobicContact CD1-CB 3.68Å; I352-L357 HydrophobicContact CG1-CB 3.96Å; I352-L357 HydrophobicContact CG1-CD1 4.23Å; I352-I358 HydrophobicContact CD1-CG1 3.74Å; I352-I358 HydrophobicContact CG1-CG1 4.33Å; I352-I358 HydrophobicContact CG2-CD1 3.68Å; I352-I358 HydrophobicContact CG2-CG1 3.71Å; I352-M361 HydrophobicContact CD1-CE 3.28Å; I352-M361 HydrophobicContact CD1-SD 4.21Å
353S81Confident87.7Confident94 Ų9430 Ų3066%0.65717%0.169SC*.SBendtrans-78.5-24.3-169.758.60000114L357S353-L357 WeakPolarHBondContact OG-CD1 3.42Å
354N82.4Confident86.9Confident50 Ų5032.7 Ų32.727%0.26718%0.183SC..  trans-149.7142.3-168.3-170.1-86.5000113.1S356 L357N354-S356 VanDerWaalsContact C-N 3.27Å; N354-S356 PolarHBondContact O-N 2.95Å; N354-S356 WeakPolarHBondContact OD1-CA 3.11Å; N354-S356 WeakPolarHBondContact OD1-CB 3.48Å; N354-S356 PolarHBondContact OD1-N 2.75Å; N354-S356 PolarHBondContact OD1-OG 3.2Å; N354-S356 VanDerWaalsContact OD1-OG 3.13Å; N354-L357 HydrophobicContact CB-CD1 4.28Å; N354-L357 HydrophobicContact CB-CG 4.19Å; N354-L357 PolarHBondContact O-N 2.67Å
355E84.9Confident86.1Confident45 Ų4533.2 Ų33.221%0.2119%0.189CC..Hα-helixtrans-56.7-38.7176.3-6499.7122.400113.3Y344 I347 L357 I358 D359 M376 K380Y344-E355 HydrophobicContact CE1-CG 4.43Å; I347-E355 HydrophobicContact CD1-CB 4.45Å; I347-E355 HydrophobicContact CD1-CG 3.66Å; E355-L357 PolarHBondContact O-N 3.12Å; E355-I358 WeakPolarHBondContact O-CB 3.05Å; E355-I358 PolarHBondContact O-N 3.45Å; E355-I358 VanDerWaalsContact O-N 3.14Å; E355-D359 PolarHBondContact O-N 3.43Å; E355-M376 HydrophobicContact CB-CB 3.71Å; E355-M376 HydrophobicContact CB-CG 3.9Å; E355-M376 HydrophobicContact CG-CB 4.18Å; E355-M376 HydrophobicContact CG-CE 4.07Å; E355-M376 HydrophobicContact CG-CG 4.36Å; E355-K380 IonicContact OE1-NZ 2.61Å; E355-K380 PolarHBondContact OE1-NZ 3.44Å
356S83.8Confident85.2Confident39 Ų3932.6 Ų32.627%0.27319%0.188SC..Hα-helixtrans-66.6-28.3-176.7-55.60000112N354 D359 I360N354-S356 VanDerWaalsContact C-N 3.27Å; N354-S356 PolarHBondContact O-N 2.95Å; N354-S356 WeakPolarHBondContact OD1-CA 3.11Å; N354-S356 WeakPolarHBondContact OD1-CB 3.48Å; N354-S356 PolarHBondContact OD1-N 2.75Å; N354-S356 PolarHBondContact OD1-OG 3.2Å; N354-S356 VanDerWaalsContact OD1-OG 3.13Å; S356-D359 PolarHBondContact O-N 2.61Å; S356-I360 VanDerWaalsContact O-CG1 3.31Å; S356-I360 WeakPolarHBondContact O-CG1 3.48Å; S356-I360 PolarHBondContact O-N 2.96Å
357L84.8Confident84.5Confident9 Ų934 Ų345%0.04720%0.202CC..Hα-helixtrans-68.8-41.5174.6-62.2178.2000110.5A7 V200 I352 S353 N354 E355 D359 I360 M361A7-L357 VanDerWaalsContact CA-CD2 3.48Å; A7-L357 HydrophobicContact CB-CD2 3.76Å; V200-L357 HydrophobicContact CG1-CB 3.98Å; V200-L357 HydrophobicContact CG1-CD1 4.36Å; V200-L357 HydrophobicContact CG1-CD2 4.23Å; V200-L357 HydrophobicContact CG1-CG 4.41Å; I352-L357 HydrophobicContact CD1-CB 3.68Å; I352-L357 HydrophobicContact CG1-CB 3.96Å; I352-L357 HydrophobicContact CG1-CD1 4.23Å; S353-L357 WeakPolarHBondContact OG-CD1 3.42Å; N354-L357 HydrophobicContact CB-CD1 4.28Å; N354-L357 HydrophobicContact CB-CG 4.19Å; N354-L357 PolarHBondContact O-N 2.67Å; E355-L357 PolarHBondContact O-N 3.12Å; L357-D359 VanDerWaalsContact C-N 3.32Å; L357-D359 PolarHBondContact O-N 3.35Å; L357-I360 PolarHBondContact O-N 3.37Å; L357-M361 VanDerWaalsContact O-CG 3.27Å; L357-M361 WeakPolarHBondContact O-CG 3.48Å; L357-M361 PolarHBondContact O-N 3.48Å
358I87.6Confident84.1Confident0 Ų032.4 Ų32.40%019%0.194CC..Hα-helixtrans-57.7-48.7171-57170.8000109.5V209 L213 G343 I347 I352 E355 I360 M361 F362 P375 M376V209-I358 HydrophobicContact CG1-CG1 4.48Å; L213-I358 HydrophobicContact CD2-CG2 3.83Å; G343-I358 VanDerWaalsContact O-CD1 3.32Å; G343-I358 WeakPolarHBondContact O-CD1 2.97Å; I347-I358 HydrophobicContact CD1-CD1 3.83Å; I347-I358 HydrophobicContact CG1-CD1 3.89Å; I352-I358 HydrophobicContact CD1-CG1 3.74Å; I352-I358 HydrophobicContact CG1-CG1 4.33Å; I352-I358 HydrophobicContact CG2-CD1 3.68Å; I352-I358 HydrophobicContact CG2-CG1 3.71Å; E355-I358 WeakPolarHBondContact O-CB 3.05Å; E355-I358 PolarHBondContact O-N 3.45Å; E355-I358 VanDerWaalsContact O-N 3.14Å; I358-I360 VanDerWaalsContact C-N 3.33Å; I358-I360 PolarHBondContact O-N 3.38Å; I358-M361 PolarHBondContact O-N 3.33Å; I358-M361 VanDerWaalsContact O-N 3.12Å; I358-F362 HydrophobicContact CG2-CD2 3.74Å; I358-F362 HydrophobicContact CG2-CE2 4.07Å; I358-F362 WeakPolarHBondContact O-CD2 3.5Å; I358-F362 PolarHBondContact O-N 3.2Å; I358-P375 HydrophobicContact CG2-CG 3.81Å; I358-M376 HydrophobicContact CB-CG 3.85Å; I358-M376 HydrophobicContact CD1-CE 3.72Å; I358-M376 HydrophobicContact CD1-CG 4.06Å; I358-M376 HydrophobicContact CD1-SD 3.98Å; I358-M376 HydrophobicContact CG2-CG 3.97Å; I358-M376 HydrophobicContact CG2-SD 4.19Å
359D86.1Confident83.7Confident15 Ų1529 Ų298%0.0818%0.178CC..Hα-helixtrans-56.6-45.5-179.9-73.7-21.8000112.6E355 S356 L357 F362 I363 G374 P375 M376 R377E355-D359 PolarHBondContact O-N 3.43Å; S356-D359 PolarHBondContact O-N 2.61Å; L357-D359 VanDerWaalsContact C-N 3.32Å; L357-D359 PolarHBondContact O-N 3.35Å; D359-F362 PolarHBondContact O-N 2.68Å; D359-I363 WeakPolarHBondContact O-CB 3.28Å; D359-I363 WeakPolarHBondContact O-CD1 3.29Å; D359-I363 WeakPolarHBondContact O-CG1 3.28Å; D359-I363 PolarHBondContact O-N 2.89Å; D359-G374 WeakPolarHBondContact OD1-CA 3.49Å; D359-P375 VanDerWaalsContact OD1-CD 3.3Å; D359-P375 WeakPolarHBondContact OD1-CD 3.28Å; D359-P375 VanDerWaalsContact OD1-N 3.08Å; D359-M376 WeakPolarHBondContact OD1-CA 2.98Å; D359-M376 WeakPolarHBondContact OD1-CB 3.37Å; D359-M376 PolarHBondContact OD1-N 3.18Å; D359-R377 PolarHBondContact OD1-N 2.84Å; D359-R377 WeakPolarHBondContact OD2-CB 3.44Å; D359-R377 PolarHBondContact OD2-N 3.1Å; D359-R377 VanDerWaalsContact OD2-N 3.1Å
360I83.2Confident83.2Confident19 Ų1930.9 Ų30.910%0.09719%0.19CC..Hα-helixtrans-62.2-46.2175.7-66.2167.2000111.8A3 A7 S356 L357 I358 F362 I363 L364A3-I360 HydrophobicContact CB-CD1 3.26Å; A3-I360 HydrophobicContact CB-CG1 3.38Å; A3-I360 WeakPolarHBondContact O-CD1 3.41Å; A7-I360 HydrophobicContact CB-CD1 4.39Å; S356-I360 VanDerWaalsContact O-CG1 3.31Å; S356-I360 WeakPolarHBondContact O-CG1 3.48Å; S356-I360 PolarHBondContact O-N 2.96Å; L357-I360 PolarHBondContact O-N 3.37Å; I358-I360 VanDerWaalsContact C-N 3.33Å; I358-I360 PolarHBondContact O-N 3.38Å; I360-F362 PolarHBondContact O-N 3.16Å; I360-I363 PolarHBondContact O-N 3.12Å; I360-L364 HydrophobicContact CG2-CD1 3.45Å; I360-L364 VanDerWaalsContact CG2-CD1 3.45Å; I360-L364 HydrophobicContact CG2-CG 4.05Å; I360-L364 WeakPolarHBondContact O-CB 3.35Å; I360-L364 WeakPolarHBondContact O-CG 3.32Å; I360-L364 PolarHBondContact O-N 3.38Å
361M83.5Confident82.8Confident0 Ų035.4 Ų35.40%020%0.2CC..Hα-helixtrans-59.2-41.2-178.3-72.2-167-52.500110.9L171 E173 V200 V202 V209 I352 L357 I358 G365L171-M361 HydrophobicContact CD1-CB 4.39Å; L171-M361 HydrophobicContact CD1-CG 3.77Å; L171-M361 HydrophobicContact CD2-CB 3.83Å; L171-M361 HydrophobicContact CD2-CG 3.97Å; L171-M361 WeakPolarHBondContact CD2-O 3.44Å; L171-M361 HydrophobicContact CG-CG 4.49Å; E173-M361 HydrophobicContact CG-SD 4.06Å; V200-M361 HydrophobicContact CB-CG 4.26Å; V200-M361 HydrophobicContact CB-SD 4.29Å; V200-M361 HydrophobicContact CG1-CG 4.11Å; V200-M361 HydrophobicContact CG1-SD 3.9Å; V200-M361 HydrophobicContact CG2-CG 4.14Å; V202-M361 HydrophobicContact CG1-CE 4.46Å; V202-M361 HydrophobicContact CG1-SD 3.97Å; V209-M361 HydrophobicContact CB-CE 3.63Å; V209-M361 HydrophobicContact CG1-CE 3.34Å; V209-M361 HydrophobicContact CG2-CE 4.36Å; I352-M361 HydrophobicContact CD1-CE 3.28Å; I352-M361 HydrophobicContact CD1-SD 4.21Å; L357-M361 VanDerWaalsContact O-CG 3.27Å; L357-M361 WeakPolarHBondContact O-CG 3.48Å; L357-M361 PolarHBondContact O-N 3.48Å; I358-M361 PolarHBondContact O-N 3.33Å; I358-M361 VanDerWaalsContact O-N 3.12Å; M361-G365 VanDerWaalsContact O-CA 3.23Å; M361-G365 WeakPolarHBondContact O-CA 3.24Å; M361-G365 PolarHBondContact O-N 2.87Å
362F84.7Confident82.4Confident2 Ų235.8 Ų35.81%0.00920%0.203CC..Iπ-helixtrans-74.1-39.9178.6-84.4-85.8000112.6F210 L213 I358 D359 I360 F366 G367 W368 P375F210-F362 HydrophobicContact CD2-CZ 4.25Å; L213-F362 HydrophobicContact CB-CE1 3.93Å; L213-F362 HydrophobicContact CB-CE2 3.75Å; L213-F362 HydrophobicContact CB-CZ 3.16Å; L213-F362 HydrophobicContact CD2-CD2 4.02Å; L213-F362 HydrophobicContact CD2-CE1 4.41Å; L213-F362 HydrophobicContact CD2-CE2 3.34Å; L213-F362 HydrophobicContact CD2-CZ 3.63Å; L213-F362 HydrophobicContact CG-CE2 4.07Å; L213-F362 HydrophobicContact CG-CZ 3.97Å; I358-F362 HydrophobicContact CG2-CD2 3.74Å; I358-F362 HydrophobicContact CG2-CE2 4.07Å; I358-F362 WeakPolarHBondContact O-CD2 3.5Å; I358-F362 PolarHBondContact O-N 3.2Å; D359-F362 PolarHBondContact O-N 2.68Å; I360-F362 PolarHBondContact O-N 3.16Å; F362-F366 HydrophobicContact CD1-CB 3.71Å; F362-F366 HydrophobicContact CD1-CD1 4.16Å; F362-F366 HydrophobicContact CD1-CG 4.02Å; F362-F366 HydrophobicContact CE1-CB 4.14Å; F362-F366 HydrophobicContact CE1-CG 4.24Å; F362-F366 HydrophobicContact CG-CB 4.49Å; F362-F366 CarbonylContact O-C 3.57Å; F362-F366 WeakPolarHBondContact O-CA 3.39Å; F362-F366 VanDerWaalsContact O-CB 3.31Å; F362-F366 WeakPolarHBondContact O-CB 3.18Å; F362-F366 PolarHBondContact O-N 3.37Å; F362-F366 VanDerWaalsContact O-N 3.1Å; F362-G367 PolarHBondContact O-N 2.96Å; F362-W368 VanDerWaalsContact C-CB 3.49Å; F362-W368 HydrophobicContact CB-CB 4Å; F362-W368 HydrophobicContact CB-CE3 4.3Å; F362-W368 HydrophobicContact CB-CG 4.4Å; F362-W368 HydrophobicContact CD1-CE3 4.11Å; F362-W368 WeakPolarHBondContact O-CB 3.46Å; F362-W368 PolarHBondContact O-N 3.46Å; F362-P375 HydrophobicContact CB-CG 4Å; F362-P375 HydrophobicContact CD2-CG 3.97Å; F362-P375 HydrophobicContact CG-CG 3.88Å
363I84.1Confident82Confident44 Ų4436.1 Ų36.123%0.22621%0.208CC..Iπ-helixtrans-62.2-48175.9-69.8164.4000110.9D359 I360 W368 I370D359-I363 WeakPolarHBondContact O-CB 3.28Å; D359-I363 WeakPolarHBondContact O-CD1 3.29Å; D359-I363 WeakPolarHBondContact O-CG1 3.28Å; D359-I363 PolarHBondContact O-N 2.89Å; I360-I363 PolarHBondContact O-N 3.12Å; I363-W368 HydrophobicContact CG1-CB 4.18Å; I363-I370 HydrophobicContact CG2-CG1 4Å
364L78.2Confident82.4Confident56 Ų5631.7 Ų31.729%0.29318%0.176SC..Iπ-helixtrans-86.2-37.5-173-65179.8000113.8I169 L171 L198 I360I169-L364 WeakPolarHBondContact CG2-O 3.45Å; L171-L364 HydrophobicContact CB-CB 4.13Å; L198-L364 HydrophobicContact CB-CD1 4.27Å; L198-L364 HydrophobicContact CD1-CD1 3.36Å; L198-L364 HydrophobicContact CG-CD1 4.42Å; I360-L364 HydrophobicContact CG2-CD1 3.45Å; I360-L364 VanDerWaalsContact CG2-CD1 3.45Å; I360-L364 HydrophobicContact CG2-CG 4.05Å; I360-L364 WeakPolarHBondContact O-CB 3.35Å; I360-L364 WeakPolarHBondContact O-CG 3.32Å; I360-L364 PolarHBondContact O-N 3.38Å
365G76.3Confident82.7Confident14 Ų1429.3 Ų29.314%0.14416%0.164CC..Iπ-helixtrans-89.8-44.4-175.400000113.1M361M361-G365 VanDerWaalsContact O-CA 3.23Å; M361-G365 WeakPolarHBondContact O-CA 3.24Å; M361-G365 PolarHBondContact O-N 2.87Å
366F76Confident83.1Confident33 Ų3327.1 Ų27.115%0.14515%0.154CC..Iπ-helixtrans-93.3-24.4-175.1-171.5-108.2000112.3F210 L214 Y217 F244 F362 W368F210-F366 HydrophobicContact CE2-CB 3.62Å; F210-F366 HydrophobicContact CZ-CB 3.83Å; F210-F366 AromaticContact CZ-CD2 3.99Å; F210-F366 HydrophobicContact CZ-CD2 3.99Å; F210-F366 HydrophobicContact CZ-CG 4.41Å; L214-F366 HydrophobicContact CD1-CD2 3.7Å; L214-F366 HydrophobicContact CD1-CE2 3.25Å; L214-F366 HydrophobicContact CD1-CZ 4.26Å; Y217-F366 HydrophobicContact CD1-CE1 4.41Å; Y217-F366 HydrophobicContact CD1-CE2 4.28Å; Y217-F366 AromaticContact CD1-CZ 3.67Å; Y217-F366 HydrophobicContact CD1-CZ 3.67Å; Y217-F366 HydrophobicContact CE1-CE1 4.07Å; Y217-F366 HydrophobicContact CE1-CE2 4.24Å; Y217-F366 AromaticContact CE1-CZ 3.35Å; Y217-F366 HydrophobicContact CE1-CZ 3.35Å; Y217-F366 AromaticContact CZ-CZ 3.95Å; F244-F366 HydrophobicContact CD1-CD1 4.14Å; F244-F366 AromaticContact CD1-CE1 3.8Å; F244-F366 HydrophobicContact CD1-CE1 3.8Å; F244-F366 AromaticContact CE1-CD1 3.63Å; F244-F366 HydrophobicContact CE1-CD1 3.63Å; F244-F366 AromaticContact CE1-CE1 3.38Å; F244-F366 HydrophobicContact CE1-CE1 3.38Å; F244-F366 HydrophobicContact CZ-CE1 4.27Å; F362-F366 HydrophobicContact CD1-CB 3.71Å; F362-F366 HydrophobicContact CD1-CD1 4.16Å; F362-F366 HydrophobicContact CD1-CG 4.02Å; F362-F366 HydrophobicContact CE1-CB 4.14Å; F362-F366 HydrophobicContact CE1-CG 4.24Å; F362-F366 HydrophobicContact CG-CB 4.49Å; F362-F366 CarbonylContact O-C 3.57Å; F362-F366 WeakPolarHBondContact O-CA 3.39Å; F362-F366 VanDerWaalsContact O-CB 3.31Å; F362-F366 WeakPolarHBondContact O-CB 3.18Å; F362-F366 PolarHBondContact O-N 3.37Å; F362-F366 VanDerWaalsContact O-N 3.1Å; F366-W368 HydrophobicContact CD1-CE3 4.34Å
367G78Confident83.4Confident29 Ų2931.4 Ų31.430%0.29916%0.164SC..  trans83.734.5-17300000112.4F362F362-G367 PolarHBondContact O-N 2.96Å
368W84.8Confident83.7Confident4 Ų431.7 Ų31.72%0.01516%0.164CC..  trans-56.9143.1174.7-165-83.7000111.3F244 L336 F362 I363 F366 I370 S372 G374 P375 F378F244-W368 HydrophobicContact CE1-CB 4.31Å; F244-W368 AromaticContact CE1-CD2 3.89Å; F244-W368 HydrophobicContact CE1-CD2 3.89Å; F244-W368 AromaticContact CE1-CE3 3.55Å; F244-W368 HydrophobicContact CE1-CE3 3.55Å; F244-W368 HydrophobicContact CE1-CG 4.26Å; F244-W368 HydrophobicContact CE1-CZ3 4.13Å; F244-W368 AromaticContact CZ-CD2 3.72Å; F244-W368 HydrophobicContact CZ-CD2 3.72Å; F244-W368 AromaticContact CZ-CE3 3.42Å; F244-W368 HydrophobicContact CZ-CE3 3.42Å; F244-W368 VanDerWaalsContact CZ-CE3 3.42Å; F244-W368 HydrophobicContact CZ-CG 4.42Å; F244-W368 HydrophobicContact CZ-CH2 4.04Å; F244-W368 HydrophobicContact CZ-CZ2 4.28Å; F244-W368 AromaticContact CZ-CZ3 3.6Å; F244-W368 HydrophobicContact CZ-CZ3 3.6Å; L336-W368 HydrophobicContact CB-CH2 4.48Å; L336-W368 HydrophobicContact CD1-CH2 4Å; L336-W368 HydrophobicContact CD1-CZ2 4.13Å; L336-W368 HydrophobicContact CD2-CH2 3.75Å; L336-W368 HydrophobicContact CD2-CZ3 4.16Å; L336-W368 HydrophobicContact CG-CH2 4.28Å; F362-W368 VanDerWaalsContact C-CB 3.49Å; F362-W368 HydrophobicContact CB-CB 4Å; F362-W368 HydrophobicContact CB-CE3 4.3Å; F362-W368 HydrophobicContact CB-CG 4.4Å; F362-W368 HydrophobicContact CD1-CE3 4.11Å; F362-W368 WeakPolarHBondContact O-CB 3.46Å; F362-W368 PolarHBondContact O-N 3.46Å; I363-W368 HydrophobicContact CG1-CB 4.18Å; F366-W368 HydrophobicContact CD1-CE3 4.34Å; W368-I370 PolarHBondContact O-N 3.12Å; W368-I370 VanDerWaalsContact O-N 3.15Å; W368-S372 VanDerWaalsContact CD1-OG 3.32Å; W368-S372 PolarHBondContact NE1-OG 3.38Å; W368-G374 VanDerWaalsContact CD1-N 3.27Å; W368-G374 PolarHBondContact NE1-O 2.94Å; W368-P375 HydrophobicContact CE3-CB 4.48Å; W368-P375 HydrophobicContact CH2-CB 3.81Å; W368-P375 HydrophobicContact CZ2-CB 4Å; W368-P375 HydrophobicContact CZ3-CB 4.07Å; W368-F378 HydrophobicContact CZ2-CB 4.23Å; W368-F378 HydrophobicContact CZ2-CD1 4.4Å; W368-F378 HydrophobicContact CZ2-CG 4.4Å
369P82.8Confident83.8Confident4 Ų431.7 Ų31.73%0.02616%0.164CC..  trans-61.8120.7-176.2-15.624.1000111.8F242 G243 F244 H371 S372 G373F242-P369 HydrophobicContact CD1-CG 3.84Å; F242-P369 HydrophobicContact CE1-CG 3.92Å; G243-P369 VanDerWaalsContact C-CG 3.44Å; G243-P369 WeakPolarHBondContact O-CB 3.18Å; F244-P369 HydrophobicContact CD1-CG 4.36Å; F244-P369 HydrophobicContact CD2-CG 3.76Å; F244-P369 HydrophobicContact CE1-CG 4.47Å; F244-P369 HydrophobicContact CE2-CG 3.95Å; F244-P369 HydrophobicContact CG-CG 4Å; F244-P369 HydrophobicContact CZ-CG 4.31Å; P369-H371 WeakPolarHBondContact CB-CD2 3.49Å; P369-H371 WeakPolarHBondContact CB-NE2 3.45Å; P369-H371 PolarHBondContact O-N 3.35Å; P369-S372 PolarHBondContact O-N 3.38Å; P369-S372 VanDerWaalsContact O-N 3.11Å; P369-S372 PolarHBondContact O-OG 3.31Å; P369-G373 PolarHBondContact O-N 3.14Å
370I80.7Confident84Confident139 Ų13935.1 Ų35.171%0.71318%0.179SC*.THydrogen-bonded Turntrans-58.3-37.1-176.4-66.8174.3000111.5I363 W368 S372 G373I363-I370 HydrophobicContact CG2-CG1 4Å; W368-I370 PolarHBondContact O-N 3.12Å; W368-I370 VanDerWaalsContact O-N 3.15Å; I370-S372 VanDerWaalsContact C-N 3.34Å; I370-S372 PolarHBondContact O-N 3.07Å; I370-G373 WeakPolarHBondContact O-CA 3.36Å; I370-G373 PolarHBondContact O-N 3.01Å; I370-G373 VanDerWaalsContact O-N 3.15Å
371H79Confident84.2Confident136 Ų13639.2 Ų39.263%0.6321%0.205SC*.THydrogen-bonded Turntrans-64.7-31.3-18067.9119.6000113.9F242 P369F242-H371 PolarHBondContact O-CE1 3.33Å; F242-H371 VanDerWaalsContact O-CE1 3.26Å; F242-H371 PolarHBondContact O-NE2 2.97Å; P369-H371 WeakPolarHBondContact CB-CD2 3.49Å; P369-H371 WeakPolarHBondContact CB-NE2 3.45Å; P369-H371 PolarHBondContact O-N 3.35Å
372S80.2Confident84.5Confident15 Ų1541.6 Ų41.611%0.10522%0.216CC..THydrogen-bonded Turntrans-81-24.617465.30000112W368 P369 I370 R377W368-S372 VanDerWaalsContact CD1-OG 3.32Å; W368-S372 PolarHBondContact NE1-OG 3.38Å; P369-S372 PolarHBondContact O-N 3.38Å; P369-S372 VanDerWaalsContact O-N 3.11Å; P369-S372 PolarHBondContact O-OG 3.31Å; I370-S372 VanDerWaalsContact C-N 3.34Å; I370-S372 PolarHBondContact O-N 3.07Å; S372-R377 PolarHBondContact O-NH1 3.3Å
373G80.2Confident84.8Confident12 Ų1242.7 Ų42.712%0.12423%0.227CC..THydrogen-bonded Turntrans84.221.4166.600000115.2P369 I370 R377P369-G373 PolarHBondContact O-N 3.14Å; I370-G373 WeakPolarHBondContact O-CA 3.36Å; I370-G373 PolarHBondContact O-N 3.01Å; I370-G373 VanDerWaalsContact O-N 3.15Å; G373-R377 WeakPolarHBondContact O-CB 3.39Å
374G88.1Confident85.2Confident0 Ų040.7 Ų40.70%022%0.217CC..SBendtrans104.1164.317900000112.9D359 W368 M376 F378D359-G374 WeakPolarHBondContact OD1-CA 3.49Å; W368-G374 VanDerWaalsContact CD1-N 3.27Å; W368-G374 PolarHBondContact NE1-O 2.94Å; G374-M376 PolarHBondContact O-N 2.73Å; G374-F378 WeakPolarHBondContact O-CB 3.45Å; G374-F378 PolarHBondContact O-N 2.95Å
375P90.4Very high86Confident0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-59.7-41.1-179.523.6-35.3000113.3V340 I358 D359 F362 W368 F378 G379V340-P375 HydrophobicContact CG2-CB 4.29Å; V340-P375 VanDerWaalsContact CG2-O 3.27Å; V340-P375 WeakPolarHBondContact CG2-O 3.45Å; I358-P375 HydrophobicContact CG2-CG 3.81Å; D359-P375 VanDerWaalsContact OD1-CD 3.3Å; D359-P375 WeakPolarHBondContact OD1-CD 3.28Å; D359-P375 VanDerWaalsContact OD1-N 3.08Å; F362-P375 HydrophobicContact CB-CG 4Å; F362-P375 HydrophobicContact CD2-CG 3.97Å; F362-P375 HydrophobicContact CG-CG 3.88Å; W368-P375 HydrophobicContact CE3-CB 4.48Å; W368-P375 HydrophobicContact CH2-CB 3.81Å; W368-P375 HydrophobicContact CZ2-CB 4Å; W368-P375 HydrophobicContact CZ3-CB 4.07Å; P375-F378 PolarHBondContact O-N 3.31Å; P375-G379 PolarHBondContact O-N 2.95Å
376M93Very high86.8Confident0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-73.5-44.4-175.9-49-52-91.600110.7G343 Y344 I347 E355 I358 D359 G374 G379 K380G343-M376 VanDerWaalsContact C-CE 3.45Å; Y344-M376 HydrophobicContact CD1-CE 3.93Å; Y344-M376 HydrophobicContact CD2-CE 3.7Å; Y344-M376 HydrophobicContact CE1-CE 3.99Å; Y344-M376 HydrophobicContact CE2-CE 3.76Å; Y344-M376 HydrophobicContact CG-CE 3.78Å; I347-M376 HydrophobicContact CD1-CE 3.57Å; E355-M376 HydrophobicContact CB-CB 3.71Å; E355-M376 HydrophobicContact CB-CG 3.9Å; E355-M376 HydrophobicContact CG-CB 4.18Å; E355-M376 HydrophobicContact CG-CE 4.07Å; E355-M376 HydrophobicContact CG-CG 4.36Å; I358-M376 HydrophobicContact CB-CG 3.85Å; I358-M376 HydrophobicContact CD1-CE 3.72Å; I358-M376 HydrophobicContact CD1-CG 4.06Å; I358-M376 HydrophobicContact CD1-SD 3.98Å; I358-M376 HydrophobicContact CG2-CG 3.97Å; I358-M376 HydrophobicContact CG2-SD 4.19Å; D359-M376 WeakPolarHBondContact OD1-CA 2.98Å; D359-M376 WeakPolarHBondContact OD1-CB 3.37Å; D359-M376 PolarHBondContact OD1-N 3.18Å; G374-M376 PolarHBondContact O-N 2.73Å; M376-G379 PolarHBondContact O-N 2.84Å; M376-K380 WeakPolarHBondContact O-CG 3.33Å; M376-K380 PolarHBondContact O-N 3.32Å
377R90.4Very high87.8Confident129 Ų12943.6 Ų43.649%0.48723%0.227SC..Hα-helixtrans-64.7-38172.6-172.8169177.7-83.12.2112.9D359 S372 G373 G379 K380 T381D359-R377 PolarHBondContact OD1-N 2.84Å; D359-R377 WeakPolarHBondContact OD2-CB 3.44Å; D359-R377 PolarHBondContact OD2-N 3.1Å; D359-R377 VanDerWaalsContact OD2-N 3.1Å; S372-R377 PolarHBondContact O-NH1 3.3Å; G373-R377 WeakPolarHBondContact O-CB 3.39Å; R377-G379 VanDerWaalsContact C-N 3.33Å; R377-K380 PolarHBondContact O-N 3.39Å; R377-T381 WeakPolarHBondContact O-CB 3.47Å; R377-T381 PolarHBondContact O-N 3.49Å; R377-T381 PolarHBondContact O-OG1 3.01Å
378F91.1Very high88.6Confident14 Ų1442.7 Ų42.76%0.06122%0.217CC..Hα-helixtrans-57.7-48.2170.6169.1-103.6000110.4F242 L336 Y337 V340 W368 G374 P375 K380 T381 E382F242-F378 HydrophobicContact CE2-CD2 4.35Å; F242-F378 AromaticContact CE2-CE2 3.72Å; F242-F378 HydrophobicContact CE2-CE2 3.72Å; F242-F378 HydrophobicContact CE2-CZ 4.22Å; F242-F378 AromaticContact CZ-CD2 3.75Å; F242-F378 HydrophobicContact CZ-CD2 3.75Å; F242-F378 AromaticContact CZ-CE2 3.53Å; F242-F378 HydrophobicContact CZ-CE2 3.53Å; F242-F378 HydrophobicContact CZ-CG 4.47Å; F242-F378 HydrophobicContact CZ-CZ 4.09Å; L336-F378 HydrophobicContact CB-CE1 4Å; L336-F378 HydrophobicContact CD1-CD1 4.46Å; L336-F378 HydrophobicContact CD1-CE1 4.03Å; L336-F378 HydrophobicContact CD1-CZ 4.21Å; Y337-F378 HydrophobicContact CD1-CE1 4.42Å; Y337-F378 HydrophobicContact CE1-CE1 4.31Å; Y337-F378 HydrophobicContact CE1-CZ 4.49Å; V340-F378 HydrophobicContact CG2-CD1 4.23Å; W368-F378 HydrophobicContact CZ2-CB 4.23Å; W368-F378 HydrophobicContact CZ2-CD1 4.4Å; W368-F378 HydrophobicContact CZ2-CG 4.4Å; G374-F378 WeakPolarHBondContact O-CB 3.45Å; G374-F378 PolarHBondContact O-N 2.95Å; P375-F378 PolarHBondContact O-N 3.31Å; F378-K380 VanDerWaalsContact C-N 3.3Å; F378-K380 PolarHBondContact O-N 3.42Å; F378-T381 PolarHBondContact O-N 3.44Å; F378-E382 HydrophobicContact CE2-CB 4.48Å; F378-E382 HydrophobicContact CZ-CB 4.35Å; F378-E382 HydrophobicContact CZ-CG 4.41Å; F378-E382 WeakPolarHBondContact O-CB 3.31Å; F378-E382 PolarHBondContact O-N 2.95Å
379G88.9Confident89.1Confident0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-57.2-41.6176.900000113.2P375 M376 R377 G383 L384 I387P375-G379 PolarHBondContact O-N 2.95Å; M376-G379 PolarHBondContact O-N 2.84Å; R377-G379 VanDerWaalsContact C-N 3.33Å; G379-G383 CarbonylContact O-C 3.3Å; G379-G383 PolarHBondContact O-N 2.63Å; G379-L384 WeakPolarHBondContact O-CD2 3.41Å; G379-L384 PolarHBondContact O-N 2.82Å; G379-I387 VanDerWaalsContact CA-CD1 3.46Å
380K89.6Confident89.8Confident87 Ų8749.3 Ų49.338%0.37825%0.251SS..Hα-helixtrans-68-32.5175.8-67.4-179.4-179.7175.20113E355 M376 R377 F378 L384 L417E355-K380 IonicContact OE1-NZ 2.61Å; E355-K380 PolarHBondContact OE1-NZ 3.44Å; M376-K380 WeakPolarHBondContact O-CG 3.33Å; M376-K380 PolarHBondContact O-N 3.32Å; R377-K380 PolarHBondContact O-N 3.39Å; F378-K380 VanDerWaalsContact C-N 3.3Å; F378-K380 PolarHBondContact O-N 3.42Å; K380-L384 HydrophobicContact CG-CD1 4.44Å; K380-L417 HydrophobicContact CG-CD1 4.13Å
381T88.7Confident90.6Very high105 Ų10542.7 Ų42.764%0.64422%0.217SC*.Hα-helixtrans-76.1-43.4179-55.80000111.8R377 F378 G383R377-T381 WeakPolarHBondContact O-CB 3.47Å; R377-T381 PolarHBondContact O-N 3.49Å; R377-T381 PolarHBondContact O-OG1 3.01Å; F378-T381 PolarHBondContact O-N 3.44Å; T381-G383 VanDerWaalsContact C-N 3.26Å; T381-G383 PolarHBondContact O-N 3.2Å
382E89.4Confident91.4Very high51 Ų5140.3 Ų40.324%0.23821%0.212CC..Hα-helixtrans-65.4-32.4175.1-175.367.3-169.300111.8Y337 F378 K386 I387Y337-E382 HydrophobicContact CE1-CG 3.85Å; Y337-E382 WeakPolarHBondContact OH-CG 3.48Å; Y337-E382 PolarHBondContact OH-OE1 3.17Å; F378-E382 HydrophobicContact CE2-CB 4.48Å; F378-E382 HydrophobicContact CZ-CB 4.35Å; F378-E382 HydrophobicContact CZ-CG 4.41Å; F378-E382 WeakPolarHBondContact O-CB 3.31Å; F378-E382 PolarHBondContact O-N 2.95Å; E382-K386 HydrophobicContact CG-CD 4.36Å; E382-K386 WeakPolarHBondContact OE1-CE 3.47Å; E382-K386 IonicContact OE1-NZ 2.93Å; E382-K386 PolarHBondContact OE1-NZ 2.97Å; E382-I387 HydrophobicContact CB-CD1 4.17Å; E382-I387 HydrophobicContact CG-CD1 4.2Å; E382-I387 HydrophobicContact CG-CG1 4.17Å
383G90.9Very high92.2Very high24 Ų2444.2 Ų44.225%0.24723%0.228CC..  trans103.1112.5-17700000111G379 T381 D385 K386 I387G379-G383 CarbonylContact O-C 3.3Å; G379-G383 PolarHBondContact O-N 2.63Å; T381-G383 VanDerWaalsContact C-N 3.26Å; T381-G383 PolarHBondContact O-N 3.2Å; G383-D385 PolarHBondContact O-N 3.09Å; G383-D385 VanDerWaalsContact O-N 3.17Å; G383-K386 WeakPolarHBondContact O-CB 3.44Å; G383-K386 PolarHBondContact O-N 3.22Å; G383-K386 VanDerWaalsContact O-N 3.11Å; G383-I387 PolarHBondContact O-N 3.05Å
384L93.3Very high93Very high3 Ų344.1 Ų44.12%0.01622%0.224CC..Hα-helixtrans-60.9-27.6-179.4-62.7-176.4000112.6Y344 G379 K380 I387 A388 A413 N414 L417Y344-L384 HydrophobicContact CE2-CD1 4.47Å; Y344-L384 HydrophobicContact CE2-CD2 3.89Å; Y344-L384 VanDerWaalsContact OH-CD1 3.28Å; Y344-L384 WeakPolarHBondContact OH-CD1 3.07Å; G379-L384 WeakPolarHBondContact O-CD2 3.41Å; G379-L384 PolarHBondContact O-N 2.82Å; K380-L384 HydrophobicContact CG-CD1 4.44Å; L384-I387 PolarHBondContact O-N 2.8Å; L384-A388 VanDerWaalsContact O-CB 3.26Å; L384-A388 WeakPolarHBondContact O-CB 3.44Å; L384-A388 PolarHBondContact O-N 2.85Å; L384-A413 HydrophobicContact CD1-CB 3.66Å; L384-N414 HydrophobicContact CB-CB 3.95Å; L384-L417 HydrophobicContact CD1-CD1 3.59Å; L384-L417 HydrophobicContact CG-CD1 3.98Å
385D93.5Very high93.4Very high72 Ų7245.5 Ų45.539%0.38523%0.234SC..Hα-helixtrans-64-47.4175.2-167.266.8000112.1G383 I387 A388 N389 N414G383-D385 PolarHBondContact O-N 3.09Å; G383-D385 VanDerWaalsContact O-N 3.17Å; D385-I387 VanDerWaalsContact C-N 3.31Å; D385-I387 PolarHBondContact O-N 3.2Å; D385-A388 PolarHBondContact O-N 2.88Å; D385-N389 WeakPolarHBondContact O-CB 3.46Å; D385-N389 VanDerWaalsContact O-CG 3.23Å; D385-N389 PolarHBondContact O-N 3.37Å; D385-N389 PolarHBondContact O-ND2 3.31Å; D385-N389 PolarHBondContact OD2-ND2 3.12Å; D385-N389 VanDerWaalsContact OD2-ND2 3.09Å; D385-N414 WeakPolarHBondContact CA-ND2 3.21Å; D385-N414 WeakPolarHBondContact CA-OD1 3.37Å; D385-N414 WeakPolarHBondContact CB-OD1 3.49Å; D385-N414 PolarHBondContact N-OD1 3.43Å; D385-N414 PolarHBondContact OD1-ND2 2.89Å
386K94.6Very high93.7Very high92 Ų9249.4 Ų49.440%0.426%0.261SS..Hα-helixtrans-59.4-45175.3-178.4-176.5177.1-171.90110.9Y337 E382 G383 M390Y337-K386 VanDerWaalsContact OH-CE 3.24Å; Y337-K386 WeakPolarHBondContact OH-CE 3.26Å; E382-K386 HydrophobicContact CG-CD 4.36Å; E382-K386 WeakPolarHBondContact OE1-CE 3.47Å; E382-K386 IonicContact OE1-NZ 2.93Å; E382-K386 PolarHBondContact OE1-NZ 2.97Å; G383-K386 WeakPolarHBondContact O-CB 3.44Å; G383-K386 PolarHBondContact O-N 3.22Å; G383-K386 VanDerWaalsContact O-N 3.11Å; K386-M390 WeakPolarHBondContact O-CB 3.46Å; K386-M390 PolarHBondContact O-N 3.19Å
387I95.7Very high93.8Very high0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-63.3-49.6179.6-65.9176000110.6Y337 V340 G379 E382 G383 L384 D385 N389 M390 L391 L410Y337-I387 HydrophobicContact CD1-CD1 4.22Å; Y337-I387 HydrophobicContact CD1-CG1 3.89Å; Y337-I387 HydrophobicContact CD2-CB 4.25Å; Y337-I387 HydrophobicContact CD2-CG1 4.04Å; Y337-I387 HydrophobicContact CD2-CG2 4.16Å; Y337-I387 HydrophobicContact CE1-CD1 4.24Å; Y337-I387 HydrophobicContact CE1-CG1 3.78Å; Y337-I387 HydrophobicContact CE2-CB 4.41Å; Y337-I387 HydrophobicContact CE2-CG1 3.91Å; Y337-I387 HydrophobicContact CG-CB 4.42Å; Y337-I387 HydrophobicContact CG-CG1 4.02Å; Y337-I387 HydrophobicContact CG-CG2 4.03Å; V340-I387 HydrophobicContact CG1-CD1 4.44Å; G379-I387 VanDerWaalsContact CA-CD1 3.46Å; E382-I387 HydrophobicContact CB-CD1 4.17Å; E382-I387 HydrophobicContact CG-CD1 4.2Å; E382-I387 HydrophobicContact CG-CG1 4.17Å; G383-I387 PolarHBondContact O-N 3.05Å; L384-I387 PolarHBondContact O-N 2.8Å; D385-I387 VanDerWaalsContact C-N 3.31Å; D385-I387 PolarHBondContact O-N 3.2Å; I387-N389 PolarHBondContact O-N 2.58Å; I387-M390 PolarHBondContact O-N 2.97Å; I387-L391 HydrophobicContact CG2-CD1 3.7Å; I387-L391 HydrophobicContact CG2-CG 4.37Å; I387-L391 WeakPolarHBondContact O-CB 2.96Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.36Å; I387-L391 PolarHBondContact O-N 2.88Å; I387-L410 HydrophobicContact CG2-CD1 4.29Å
388A95.1Very high94Very high10 Ų1048.2 Ų48.28%0.08326%0.262CS..Hα-helixtrans-58.2-48.3179.100000111.6L384 D385 M390 L391 V392 L410L384-A388 VanDerWaalsContact O-CB 3.26Å; L384-A388 WeakPolarHBondContact O-CB 3.44Å; L384-A388 PolarHBondContact O-N 2.85Å; D385-A388 PolarHBondContact O-N 2.88Å; A388-M390 VanDerWaalsContact C-N 3.35Å; A388-M390 PolarHBondContact O-N 2.98Å; A388-L391 PolarHBondContact O-N 2.8Å; A388-V392 WeakPolarHBondContact O-CG2 3.46Å; A388-V392 PolarHBondContact O-N 2.8Å; A388-L410 HydrophobicContact CB-CD2 3.75Å
389N96.1Very high94Very high93 Ų9352 Ų5250%0.49729%0.288SS..Hα-helixtrans-62.9-41.2-179.8-71.2-33.1000111.9D385 I387 H393D385-N389 WeakPolarHBondContact O-CB 3.46Å; D385-N389 VanDerWaalsContact O-CG 3.23Å; D385-N389 PolarHBondContact O-N 3.37Å; D385-N389 PolarHBondContact O-ND2 3.31Å; D385-N389 PolarHBondContact OD2-ND2 3.12Å; D385-N389 VanDerWaalsContact OD2-ND2 3.09Å; I387-N389 PolarHBondContact O-N 2.58Å; N389-H393 WeakPolarHBondContact O-CB 3.45Å; N389-H393 PolarHBondContact O-N 3.11Å
390M96.6Very high94.1Very high54 Ų5461.8 Ų61.827%0.26633%0.331SS..Hα-helixtrans-65.8-42.6177.4-167.465.367.700112.1Y337 K386 I387 A388 H393 W394Y337-M390 HydrophobicContact CD2-CB 3.91Å; Y337-M390 HydrophobicContact CD2-CG 4.03Å; Y337-M390 HydrophobicContact CE2-CB 3.86Å; Y337-M390 HydrophobicContact CE2-CG 4.02Å; K386-M390 WeakPolarHBondContact O-CB 3.46Å; K386-M390 PolarHBondContact O-N 3.19Å; I387-M390 PolarHBondContact O-N 2.97Å; A388-M390 VanDerWaalsContact C-N 3.35Å; A388-M390 PolarHBondContact O-N 2.98Å; M390-H393 WeakPolarHBondContact O-CB 3.35Å; M390-H393 PolarHBondContact O-N 2.75Å; M390-W394 HydrophobicContact CG-CD2 4.05Å; M390-W394 HydrophobicContact CG-CE3 4.38Å; M390-W394 HydrophobicContact CG-CH2 3.75Å; M390-W394 HydrophobicContact CG-CZ2 3.39Å; M390-W394 HydrophobicContact CG-CZ3 4.24Å; M390-W394 PolarHBondContact O-N 2.95Å; M390-W394 HydrophobicContact SD-CZ2 3.94Å
391L97.1Very high94.2Very high0 Ų060 Ų600%032%0.324CS..Hα-helixtrans-65.5-42.1177.6-71.8168000111.9P338 N341 I387 A388 H393 W394 S395 Y404 V406 L410P338-L391 HydrophobicContact CG-CD2 4.18Å; N341-L391 HydrophobicContact CB-CD1 3.73Å; I387-L391 HydrophobicContact CG2-CD1 3.7Å; I387-L391 HydrophobicContact CG2-CG 4.37Å; I387-L391 WeakPolarHBondContact O-CB 2.96Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.36Å; I387-L391 PolarHBondContact O-N 2.88Å; A388-L391 PolarHBondContact O-N 2.8Å; L391-H393 VanDerWaalsContact C-N 3.3Å; L391-H393 PolarHBondContact O-N 3.37Å; L391-W394 HydrophobicContact CD2-CE3 4.09Å; L391-W394 HydrophobicContact CD2-CZ3 4.27Å; L391-W394 PolarHBondContact O-N 3.07Å; L391-S395 VanDerWaalsContact O-CB 3.31Å; L391-S395 WeakPolarHBondContact O-CB 3.47Å; L391-S395 PolarHBondContact O-N 3.17Å; L391-Y404 CarbonylContact C-O 3.53Å; L391-Y404 HydrophobicContact CD2-CD1 4.44Å; L391-V406 HydrophobicContact CB-CG2 3.54Å; L391-V406 HydrophobicContact CD1-CG2 4.24Å; L391-L410 HydrophobicContact CD1-CD1 4.32Å
392V96.8Very high94.4Very high86 Ų8659.1 Ų59.152%0.52132%0.322SS..Hα-helixtrans-61-41.8173.1171.80000110.8A388 S395 S396 V406A388-V392 WeakPolarHBondContact O-CG2 3.46Å; A388-V392 PolarHBondContact O-N 2.8Å; V392-S395 PolarHBondContact O-N 3.11Å; V392-S396 PolarHBondContact O-N 3Å; V392-V406 HydrophobicContact CG2-CG2 3.77Å
393H96.8Very high94.6Very high97 Ų9757.1 Ų57.145%0.44931%0.314SS..Hα-helixtrans-61.7-48.6176178.955.4000111.8N389 M390 L391 S395 S396 L397N389-H393 WeakPolarHBondContact O-CB 3.45Å; N389-H393 PolarHBondContact O-N 3.11Å; M390-H393 WeakPolarHBondContact O-CB 3.35Å; M390-H393 PolarHBondContact O-N 2.75Å; L391-H393 VanDerWaalsContact C-N 3.3Å; L391-H393 PolarHBondContact O-N 3.37Å; H393-S395 VanDerWaalsContact C-N 3.34Å; H393-S395 PolarHBondContact O-N 2.89Å; H393-S396 WeakPolarHBondContact O-CB 3.39Å; H393-S396 PolarHBondContact O-N 3.23Å; H393-S396 VanDerWaalsContact O-N 3.12Å; H393-S396 PolarHBondContact O-OG 3.24Å; H393-L397 PolarHBondContact O-N 2.94Å
394W97.4Very high94.9Very high10 Ų1056 Ų564%0.03830%0.303CS..Hα-helixtrans-62.5-39175.8-66.3-18.9000112.7I323 N333 F334 Y337 P338 M390 L391 S396 L397 E398 Y404I323-W394 HydrophobicContact CD1-CB 3.74Å; I323-W394 HydrophobicContact CD1-CG 3.89Å; I323-W394 HydrophobicContact CG1-CB 4.26Å; I323-W394 HydrophobicContact CG1-CG 4.17Å; I323-W394 HydrophobicContact CG2-CG 4.23Å; N333-W394 HydrophobicContact CB-CH2 4Å; N333-W394 HydrophobicContact CB-CZ2 4.45Å; F334-W394 HydrophobicContact CB-CH2 4.33Å; Y337-W394 HydrophobicContact CD2-CH2 4.17Å; Y337-W394 HydrophobicContact CD2-CZ3 4.36Å; P338-W394 HydrophobicContact CG-CZ3 4.32Å; M390-W394 HydrophobicContact CG-CD2 4.05Å; M390-W394 HydrophobicContact CG-CE3 4.38Å; M390-W394 HydrophobicContact CG-CH2 3.75Å; M390-W394 HydrophobicContact CG-CZ2 3.39Å; M390-W394 HydrophobicContact CG-CZ3 4.24Å; M390-W394 PolarHBondContact O-N 2.95Å; M390-W394 HydrophobicContact SD-CZ2 3.94Å; L391-W394 HydrophobicContact CD2-CE3 4.09Å; L391-W394 HydrophobicContact CD2-CZ3 4.27Å; L391-W394 PolarHBondContact O-N 3.07Å; W394-S396 VanDerWaalsContact C-N 3.27Å; W394-S396 PolarHBondContact O-N 2.93Å; W394-L397 PolarHBondContact O-N 3.27Å; W394-L397 VanDerWaalsContact O-N 3.1Å; W394-E398 PolarHBondContact O-N 3.09Å; W394-Y404 HydrophobicContact CB-CD1 4.33Å; W394-Y404 HydrophobicContact CB-CD2 4.04Å; W394-Y404 HydrophobicContact CB-CE2 4.48Å; W394-Y404 HydrophobicContact CB-CG 3.97Å; W394-Y404 HydrophobicContact CE3-CD1 4.14Å; W394-Y404 HydrophobicContact CE3-CE1 4.28Å
395S96.9Very high95Very high28 Ų2859.7 Ų59.720%0.19632%0.322CS..Hα-helixtrans-62.4-32.5174-172.30000112.3L391 V392 H393 L397 E398 P399L391-S395 VanDerWaalsContact O-CB 3.31Å; L391-S395 WeakPolarHBondContact O-CB 3.47Å; L391-S395 PolarHBondContact O-N 3.17Å; V392-S395 PolarHBondContact O-N 3.11Å; H393-S395 VanDerWaalsContact C-N 3.34Å; H393-S395 PolarHBondContact O-N 2.89Å; S395-L397 VanDerWaalsContact C-N 3.31Å; S395-L397 PolarHBondContact O-N 2.95Å; S395-E398 CarbonylContact O-C 3.56Å; S395-E398 VanDerWaalsContact O-C 3.3Å; S395-E398 PolarHBondContact O-N 3.23Å; S395-P399 WeakPolarHBondContact O-CA 3.37Å; S395-P399 WeakPolarHBondContact O-CB 3.3Å
396S96.4Very high95.2Very high82 Ų8256.8 Ų56.857%0.57331%0.306SS*.Hα-helixtrans-67.2-31.3174.278.40000113.3V392 H393 W394V392-S396 PolarHBondContact O-N 3Å; H393-S396 WeakPolarHBondContact O-CB 3.39Å; H393-S396 PolarHBondContact O-N 3.23Å; H393-S396 VanDerWaalsContact O-N 3.12Å; H393-S396 PolarHBondContact O-OG 3.24Å; W394-S396 VanDerWaalsContact C-N 3.27Å; W394-S396 PolarHBondContact O-N 2.93Å
397L95.3Very high95.3Very high52 Ų5252.4 Ų52.427%0.27229%0.287SS..Hα-helixtrans-85.2-28.3179.3-62.4174000112.2N322 I323 H393 W394 S395N322-L397 HydrophobicContact CB-CB 4Å; N322-L397 HydrophobicContact CB-CD2 4.36Å; N322-L397 PolarHBondContact ND2-O 2.9Å; I323-L397 HydrophobicContact CG1-CB 4.05Å; I323-L397 HydrophobicContact CG1-CD1 3.9Å; H393-L397 PolarHBondContact O-N 2.94Å; W394-L397 PolarHBondContact O-N 3.27Å; W394-L397 VanDerWaalsContact O-N 3.1Å; S395-L397 VanDerWaalsContact C-N 3.31Å; S395-L397 PolarHBondContact O-N 2.95Å
398E93.3Very high95.2Very high52 Ų5256.8 Ų56.824%0.24331%0.311CS..  trans-140.371.2-177.6-161.1171-174.300111.5I323 W394 S395 K400 E401 Y404I323-E398 HydrophobicContact CD1-CB 4.4Å; W394-E398 PolarHBondContact O-N 3.09Å; S395-E398 CarbonylContact O-C 3.56Å; S395-E398 VanDerWaalsContact O-C 3.3Å; S395-E398 PolarHBondContact O-N 3.23Å; E398-K400 PolarHBondContact O-N 3.27Å; E398-K400 VanDerWaalsContact O-N 3.11Å; E398-E401 HydrophobicContact CG-CB 4Å; E398-E401 PolarHBondContact O-N 2.69Å; E398-E401 VanDerWaalsContact O-N 3.16Å; E398-Y404 HydrophobicContact CB-CD2 4.28Å; E398-Y404 HydrophobicContact CB-CE2 4.11Å; E398-Y404 HydrophobicContact CG-CE2 4.45Å; E398-Y404 WeakPolarHBondContact OE2-CE2 3.5Å
399P91.3Very high95.1Very high93 Ų9357.3 Ų57.360%0.60432%0.315SS*.THydrogen-bonded Turntrans-71-10.9-17027.2-36.4000114.6S395S395-P399 WeakPolarHBondContact O-CA 3.37Å; S395-P399 WeakPolarHBondContact O-CB 3.3Å
400K90.9Very high94.9Very high207 Ų20752.9 Ų52.990%0.929%0.292SS*.THydrogen-bonded Turntrans-84.4-17.6177.3-66-174.3178.6-178.80112.6E398 S402E398-K400 PolarHBondContact O-N 3.27Å; E398-K400 VanDerWaalsContact O-N 3.11Å; K400-S402 PolarHBondContact O-N 2.92Å
401E92.3Very high94.7Very high49 Ų4954.6 Ų54.623%0.22930%0.298CS..  trans-84.3109.2-176.8-17755.4-111.200110.5K223 E398 A403 Y404K223-E401 IonicContact NZ-OE2 2.72Å; K223-E401 PolarHBondContact NZ-OE2 3.35Å; E398-E401 HydrophobicContact CG-CB 4Å; E398-E401 PolarHBondContact O-N 2.69Å; E398-E401 VanDerWaalsContact O-N 3.16Å; E401-A403 HydrophobicContact CG-CB 4.06Å; E401-A403 PolarHBondContact O-N 3.46Å; E401-A403 PolarHBondContact OE1-N 2.89Å; E401-Y404 HydrophobicContact CB-CD2 3.6Å; E401-Y404 HydrophobicContact CB-CE2 3.6Å; E401-Y404 HydrophobicContact CB-CG 4.43Å; E401-Y404 HydrophobicContact CG-CD1 4.47Å; E401-Y404 HydrophobicContact CG-CD2 3.65Å; E401-Y404 HydrophobicContact CG-CE1 4.27Å; E401-Y404 HydrophobicContact CG-CE2 3.42Å; E401-Y404 VanDerWaalsContact CG-CE2 3.42Å; E401-Y404 HydrophobicContact CG-CG 4.17Å; E401-Y404 PolarHBondContact O-N 3.33Å
402S92.9Very high94.4Very high86 Ų8658.1 Ų58.160%0.60132%0.319SS*.G310 helixtrans-63.6-28.2-17763.50000113.1K400 Y404 I405K400-S402 PolarHBondContact O-N 2.92Å; S402-Y404 PolarHBondContact O-N 3.05Å; S402-Y404 VanDerWaalsContact O-N 3.12Å; S402-I405 PolarHBondContact O-N 3.25Å; S402-I405 VanDerWaalsContact O-N 3.1Å
403A93.9Very high93.8Very high10 Ų1054.7 Ų54.78%0.08330%0.3CS..G310 helixtrans-60.4-24.7-179.100000113.3V216 P338 N341 E401V216-A403 HydrophobicContact CG1-CB 4.4Å; P338-A403 HydrophobicContact CB-CB 4.17Å; N341-A403 PolarHBondContact ND2-O 2.97Å; E401-A403 HydrophobicContact CG-CB 4.06Å; E401-A403 PolarHBondContact O-N 3.46Å; E401-A403 PolarHBondContact OE1-N 2.89Å
404Y96.8Very high93.2Very high0 Ų050.9 Ų50.90%028%0.283CS..G310 helixtrans-94.5-11.4-179.2-48.8-35.4000113.7Q220 K223 I323 F334 P338 L391 W394 E398 E401 S402 V406Q220-Y404 PolarHBondContact NE2-OH 3.39Å; Q220-Y404 VanDerWaalsContact NE2-OH 3.12Å; K223-Y404 PolarHBondContact NZ-OH 3.15Å; I323-Y404 HydrophobicContact CD1-CD2 4.36Å; I323-Y404 HydrophobicContact CD1-CE2 3.68Å; F334-Y404 WeakPolarHBondContact CE2-OH 3.2Å; F334-Y404 WeakPolarHBondContact CZ-OH 3.37Å; P338-Y404 HydrophobicContact CG-CD1 4.15Å; P338-Y404 HydrophobicContact CG-CE1 4.05Å; L391-Y404 CarbonylContact C-O 3.53Å; L391-Y404 HydrophobicContact CD2-CD1 4.44Å; W394-Y404 HydrophobicContact CB-CD1 4.33Å; W394-Y404 HydrophobicContact CB-CD2 4.04Å; W394-Y404 HydrophobicContact CB-CE2 4.48Å; W394-Y404 HydrophobicContact CB-CG 3.97Å; W394-Y404 HydrophobicContact CE3-CD1 4.14Å; W394-Y404 HydrophobicContact CE3-CE1 4.28Å; E398-Y404 HydrophobicContact CB-CD2 4.28Å; E398-Y404 HydrophobicContact CB-CE2 4.11Å; E398-Y404 HydrophobicContact CG-CE2 4.45Å; E398-Y404 WeakPolarHBondContact OE2-CE2 3.5Å; E401-Y404 HydrophobicContact CB-CD2 3.6Å; E401-Y404 HydrophobicContact CB-CE2 3.6Å; E401-Y404 HydrophobicContact CB-CG 4.43Å; E401-Y404 HydrophobicContact CG-CD1 4.47Å; E401-Y404 HydrophobicContact CG-CD2 3.65Å; E401-Y404 HydrophobicContact CG-CE1 4.27Å; E401-Y404 HydrophobicContact CG-CE2 3.42Å; E401-Y404 VanDerWaalsContact CG-CE2 3.42Å; E401-Y404 HydrophobicContact CG-CG 4.17Å; E401-Y404 PolarHBondContact O-N 3.33Å; S402-Y404 PolarHBondContact O-N 3.05Å; S402-Y404 VanDerWaalsContact O-N 3.12Å; Y404-V406 PolarHBondContact O-N 2.86Å
405I96.6Very high92.5Very high81 Ų8155.6 Ų55.642%0.41531%0.309SS..SBendtrans-70.4117.6176.4-57.8179.4000107.4N341 R345 S402 A407N341-I405 PolarHBondContact ND2-O 2.95Å; R345-I405 PolarHBondContact NH2-O 3.09Å; S402-I405 PolarHBondContact O-N 3.25Å; S402-I405 VanDerWaalsContact O-N 3.1Å; I405-A407 PolarHBondContact O-N 3.29Å
406V96.6Very high91.6Very high10 Ų1061.1 Ų61.16%0.06133%0.329CS..PPolyproline II helixtrans-69.1130.2-175.3-177.40000111.4N341 L391 V392 Y404 L410 K411N341-V406 WeakPolarHBondContact OD1-CA 3.27Å; L391-V406 HydrophobicContact CB-CG2 3.54Å; L391-V406 HydrophobicContact CD1-CG2 4.24Å; V392-V406 HydrophobicContact CG2-CG2 3.77Å; Y404-V406 PolarHBondContact O-N 2.86Å; V406-L410 HydrophobicContact CG1-CB 4.19Å; V406-L410 HydrophobicContact CG1-CD1 4.44Å; V406-L410 HydrophobicContact CG1-CD2 3.88Å; V406-L410 HydrophobicContact CG1-CG 4.39Å; V406-K411 HydrophobicContact CG1-CG 3.85Å
407A95.9Very high90.5Very high0 Ų060 Ų600%032%0.316CS..PPolyproline II helixtrans-64.4142.2173.100000112N341 R345 E348 I405 A409 L410 K411N341-A407 PolarHBondContact OD1-N 3.34Å; R345-A407 HydrophobicContact CB-CB 4.48Å; E348-A407 WeakPolarHBondContact OE2-CB 3.45Å; I405-A407 PolarHBondContact O-N 3.29Å; A407-A409 VanDerWaalsContact C-N 3.31Å; A407-A409 PolarHBondContact O-N 3.34Å; A407-L410 HydrophobicContact CB-CB 4.19Å; A407-L410 WeakPolarHBondContact O-CB 3.39Å; A407-L410 PolarHBondContact O-N 3.29Å; A407-L410 VanDerWaalsContact O-N 3.12Å; A407-K411 PolarHBondContact O-N 2.72Å
408D94.4Very high89.4Confident93 Ų9362.5 Ų62.550%0.49733%0.328SS..Hα-helixtrans-70.6-31.5179.9-71.9-27.9000111.2E348 L410 K411 T412E348-D408 PolarHBondContact OE2-N 3.21Å; D408-L410 VanDerWaalsContact C-N 3.29Å; D408-L410 PolarHBondContact O-N 3.48Å; D408-K411 PolarHBondContact O-N 3.31Å; D408-K411 IonicContact OD1-NZ 3.94Å; D408-K411 PolarHBondContact OD1-NZ 2.7Å; D408-T412 WeakPolarHBondContact O-CB 3.32Å; D408-T412 PolarHBondContact O-N 3.11Å; D408-T412 PolarHBondContact O-OG1 3.48Å
409A92.6Very high88.1Confident21 Ų2163.6 Ų63.617%0.17434%0.342CS..Hα-helixtrans-62-34.8169.100000112.8Y344 E348 A407 T412 A413Y344-A409 HydrophobicContact CD1-CB 4.16Å; E348-A409 HydrophobicContact CB-CB 3.77Å; E348-A409 PolarHBondContact OE2-N 3.2Å; A407-A409 VanDerWaalsContact C-N 3.31Å; A407-A409 PolarHBondContact O-N 3.34Å; A409-T412 PolarHBondContact O-N 3.4Å; A409-A413 WeakPolarHBondContact O-CB 3.34Å; A409-A413 PolarHBondContact O-N 3.31Å
410L93.3Very high86.7Confident0 Ų063.3 Ų63.30%034%0.341CS..Hα-helixtrans-66-47175.7-169.9159.9000110.5N341 Y344 I387 A388 L391 V406 A407 D408 T412 A413 N414N341-L410 HydrophobicContact CB-CD1 4.24Å; Y344-L410 HydrophobicContact CD1-CB 4.35Å; Y344-L410 HydrophobicContact CD2-CB 3.77Å; Y344-L410 HydrophobicContact CD2-CD1 3.77Å; Y344-L410 HydrophobicContact CD2-CG 3.73Å; Y344-L410 HydrophobicContact CE2-CB 4.44Å; Y344-L410 HydrophobicContact CE2-CD1 4.31Å; Y344-L410 HydrophobicContact CE2-CG 4.06Å; Y344-L410 HydrophobicContact CG-CB 3.73Å; Y344-L410 HydrophobicContact CG-CG 4.22Å; I387-L410 HydrophobicContact CG2-CD1 4.29Å; A388-L410 HydrophobicContact CB-CD2 3.75Å; L391-L410 HydrophobicContact CD1-CD1 4.32Å; V406-L410 HydrophobicContact CG1-CB 4.19Å; V406-L410 HydrophobicContact CG1-CD1 4.44Å; V406-L410 HydrophobicContact CG1-CD2 3.88Å; V406-L410 HydrophobicContact CG1-CG 4.39Å; A407-L410 HydrophobicContact CB-CB 4.19Å; A407-L410 WeakPolarHBondContact O-CB 3.39Å; A407-L410 PolarHBondContact O-N 3.29Å; A407-L410 VanDerWaalsContact O-N 3.12Å; D408-L410 VanDerWaalsContact C-N 3.29Å; D408-L410 PolarHBondContact O-N 3.48Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 2.69Å; L410-A413 PolarHBondContact O-N 3.31Å; L410-N414 PolarHBondContact O-N 3.05Å
411K91.6Very high85.1Confident90 Ų9061.7 Ų61.739%0.39134%0.335SS..Hα-helixtrans-58.2-44.1175.6-61.8172.3-165.5155.60111.2V406 A407 D408 N414 N415V406-K411 HydrophobicContact CG1-CG 3.85Å; A407-K411 PolarHBondContact O-N 2.72Å; D408-K411 PolarHBondContact O-N 3.31Å; D408-K411 IonicContact OD1-NZ 3.94Å; D408-K411 PolarHBondContact OD1-NZ 2.7Å; K411-N414 WeakPolarHBondContact O-CB 3.26Å; K411-N414 PolarHBondContact O-N 3.1Å; K411-N415 PolarHBondContact O-N 2.77Å; K411-N415 VanDerWaalsContact O-N 3.1Å
412T89.9Confident82.9Confident73 Ų7369.3 Ų69.345%0.44838%0.376SS..Hα-helixtrans-63.4-44.4178.9-590000111.8D408 A409 L410 N414 N415 K416D408-T412 WeakPolarHBondContact O-CB 3.32Å; D408-T412 PolarHBondContact O-N 3.11Å; D408-T412 PolarHBondContact O-OG1 3.48Å; A409-T412 PolarHBondContact O-N 3.4Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 2.69Å; T412-N414 VanDerWaalsContact C-N 3.33Å; T412-N414 PolarHBondContact O-N 3.09Å; T412-N415 PolarHBondContact O-N 2.9Å; T412-K416 PolarHBondContact O-N 3.05Å; T412-K416 VanDerWaalsContact O-N 3.12Å
413A84.9Confident82.4Confident15 Ų1568.5 Ų68.512%0.12436%0.364CS..Hα-helixtrans-64.2-37.717700000112.1Y344 L384 A409 L410 K416 L417Y344-A413 HydrophobicContact CD1-CB 4.46Å; Y344-A413 HydrophobicContact CE1-CB 3.62Å; L384-A413 HydrophobicContact CD1-CB 3.66Å; A409-A413 WeakPolarHBondContact O-CB 3.34Å; A409-A413 PolarHBondContact O-N 3.31Å; L410-A413 PolarHBondContact O-N 3.31Å; A413-K416 PolarHBondContact O-N 3.36Å; A413-L417 WeakPolarHBondContact O-CG 3.28Å; A413-L417 PolarHBondContact O-N 2.71Å; A413-L417 VanDerWaalsContact O-N 3.13Å
414N84.2Confident81.8Confident16 Ų1671.5 Ų71.59%0.08638%0.379CS..Hα-helixtrans-60.3-49174.6-170.334.9000111.4L384 D385 L410 K411 T412 K416 L417 M418L384-N414 HydrophobicContact CB-CB 3.95Å; D385-N414 WeakPolarHBondContact CA-ND2 3.21Å; D385-N414 WeakPolarHBondContact CA-OD1 3.37Å; D385-N414 WeakPolarHBondContact CB-OD1 3.49Å; D385-N414 PolarHBondContact N-OD1 3.43Å; D385-N414 PolarHBondContact OD1-ND2 2.89Å; L410-N414 PolarHBondContact O-N 3.05Å; K411-N414 WeakPolarHBondContact O-CB 3.26Å; K411-N414 PolarHBondContact O-N 3.1Å; T412-N414 VanDerWaalsContact C-N 3.33Å; T412-N414 PolarHBondContact O-N 3.09Å; N414-K416 VanDerWaalsContact C-N 3.34Å; N414-K416 PolarHBondContact O-N 2.79Å; N414-L417 PolarHBondContact O-N 3.46Å; N414-M418 WeakPolarHBondContact O-CG 3.34Å; N414-M418 PolarHBondContact O-N 2.9Å; N414-M418 VanDerWaalsContact O-N 3.1Å
415N82.4Confident81Confident110 Ų11075.5 Ų75.559%0.58840%0.4SS*.Hα-helixtrans-60.6-41.3179.4-69.4-18.7000112.4K411 T412 M418 S419K411-N415 PolarHBondContact O-N 2.77Å; K411-N415 VanDerWaalsContact O-N 3.1Å; T412-N415 PolarHBondContact O-N 2.9Å; N415-M418 PolarHBondContact O-N 3.17Å; N415-S419 PolarHBondContact O-N 3.06Å; N415-S419 PolarHBondContact O-OG 3.35Å
416K78.1Confident80.1Confident144 Ų14475.2 Ų75.263%0.62640%0.399SS*.Hα-helixtrans-61.9-43.9176.5-75.2-178.6178.8179.20112.3T412 A413 N414 M418 S419 S420T412-K416 PolarHBondContact O-N 3.05Å; T412-K416 VanDerWaalsContact O-N 3.12Å; A413-K416 PolarHBondContact O-N 3.36Å; N414-K416 VanDerWaalsContact C-N 3.34Å; N414-K416 PolarHBondContact O-N 2.79Å; K416-M418 VanDerWaalsContact C-N 3.29Å; K416-M418 PolarHBondContact O-N 3.26Å; K416-S419 WeakPolarHBondContact CA-OG 3.4Å; K416-S419 PolarHBondContact O-N 3.38Å; K416-S419 PolarHBondContact O-OG 3.05Å; K416-S420 PolarHBondContact O-N 3.05Å; K416-S420 VanDerWaalsContact O-N 3.12Å; K416-S420 PolarHBondContact O-OG 3.04Å
417L74.4Confident79Confident57 Ų5779.3 Ų79.330%0.29842%0.42SS..Hα-helixtrans-65.4-31.3178-75.6169.3000113.2K380 L384 A413 N414 S420 K421K380-L417 HydrophobicContact CG-CD1 4.13Å; L384-L417 HydrophobicContact CD1-CD1 3.59Å; L384-L417 HydrophobicContact CG-CD1 3.98Å; A413-L417 WeakPolarHBondContact O-CG 3.28Å; A413-L417 PolarHBondContact O-N 2.71Å; A413-L417 VanDerWaalsContact O-N 3.13Å; N414-L417 PolarHBondContact O-N 3.46Å; L417-S420 PolarHBondContact O-OG 3.06Å; L417-K421 WeakPolarHBondContact O-CG 3.28Å
418M70.4Confident77.9Confident105 Ų10584.5 Ų84.552%0.51745%0.449SS..Hα-helixtrans-72.9-39.2174.8-68-65.6-83.400111.2N414 N415 K416 S420 K421N414-M418 WeakPolarHBondContact O-CG 3.34Å; N414-M418 PolarHBondContact O-N 2.9Å; N414-M418 VanDerWaalsContact O-N 3.1Å; N415-M418 PolarHBondContact O-N 3.17Å; K416-M418 VanDerWaalsContact C-N 3.29Å; K416-M418 PolarHBondContact O-N 3.26Å; M418-S420 VanDerWaalsContact C-N 3.35Å; M418-S420 PolarHBondContact O-N 3.25Å; M418-K421 PolarHBondContact O-N 3.09Å
419S66.1Low76.7Confident76 Ų7683.9 Ų83.953%0.53145%0.445SS..Hα-helixtrans-69.3-26.217865.60000114.6N415 K416N415-S419 PolarHBondContact O-N 3.06Å; N415-S419 PolarHBondContact O-OG 3.35Å; K416-S419 WeakPolarHBondContact CA-OG 3.4Å; K416-S419 PolarHBondContact O-N 3.38Å; K416-S419 PolarHBondContact O-OG 3.05Å
420S61.7Low75.5Confident86 Ų8688.8 Ų88.860%0.60147%0.466SS*.THydrogen-bonded Turntrans-86-5.9178.963.20000114.4K416 L417 M418K416-S420 PolarHBondContact O-N 3.05Å; K416-S420 VanDerWaalsContact O-N 3.12Å; K416-S420 PolarHBondContact O-OG 3.04Å; L417-S420 PolarHBondContact O-OG 3.06Å; M418-S420 VanDerWaalsContact C-N 3.35Å; M418-S420 PolarHBondContact O-N 3.25Å
421K58Low74Confident174 Ų17496.2 Ų96.276%0.75751%0.505SS*.THydrogen-bonded Turntrans-95.7-9.1174.4-74.7-178.4178.8-179.50113.2L417 M418L417-K421 WeakPolarHBondContact O-CG 3.28Å; M418-K421 PolarHBondContact O-N 3.09Å
422L46.8Very low72.5Confident208 Ų20896.7 Ų96.7100%1.08952%0.515SS*.  trans-91.90169.2-71.3163000108.7

Retrieved 422 of 422 residues in 108.3 ms (Link to these results)

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