A0A087XSX2_POEFO Loading...

Phosphatidylinositol-specific phospholipase C, X domain containing 3

AlphaFold DB , UniProt , Accession A0A087XSX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M31.9Very low37.5Very low250 Ų250145.3 Ų145.3100%1.23279%0.792SS**  096.60-66.4-169-170.600106.6
2A29.6Very low42.1Very low103 Ų103137.8 Ų137.885%0.85175%0.746SS**  trans-82.3126.3-175.800000108.9S4A2-S4 PolarHBondContact O-N 3.3Å
3S28.9Very low46.3Very low87 Ų87127.3 Ų127.361%0.60869%0.69SS**  trans-64.8116.6-179.8173.70000110.3H5S3-H5 VanDerWaalsContact C-N 3.29Å; S3-H5 PolarHBondContact O-N 3.08Å; S3-H5 PolarHBondContact OG-CE1 2.97Å; S3-H5 PolarHBondContact OG-ND1 3.04Å
4S33.6Very low50Low116 Ų116122.7 Ų122.781%0.81167%0.665SS**  trans-66.386.4165.5550000109.2A2 G6A2-S4 PolarHBondContact O-N 3.3Å; S4-G6 PolarHBondContact O-N 3.38Å
5H32.8Very low53.2Low166 Ų166114.9 Ų114.977%0.76962%0.622SS**  trans-72.4118.4161.9-75.471.6000107.1S3S3-H5 VanDerWaalsContact C-N 3.29Å; S3-H5 PolarHBondContact O-N 3.08Å; S3-H5 PolarHBondContact OG-CE1 2.97Å; S3-H5 PolarHBondContact OG-ND1 3.04Å
6G28.6Very low56Low68 Ų68107.8 Ų107.870%0.70158%0.583SS**  trans-53141.1-175.500000111.7S4 S8S4-G6 PolarHBondContact O-N 3.38Å; G6-S8 VanDerWaalsContact C-N 3.31Å; G6-S8 PolarHBondContact O-N 3.47Å
7R33.4Very low58.5Low245 Ų245103.2 Ų103.293%0.92556%0.564SS**  trans-50.2102.3156.8-84.3173.3163.6169.4-8106.7D9R7-D9 PolarHBondContact O-N 3.43Å; R7-D9 VanDerWaalsContact O-N 3.16Å
8S36.9Very low60.6Low89 Ų89102.1 Ų102.162%0.62257%0.565SS**  trans-61116.8167.853.10000106.4G6 L10G6-S8 VanDerWaalsContact C-N 3.31Å; G6-S8 PolarHBondContact O-N 3.47Å; S8-L10 PolarHBondContact O-N 3.06Å
9D40.8Very low62.4Low151 Ų15197 Ų9781%0.80754%0.536SS*.  trans-54.189.2159.2-76.4-38.8000107R7 R11R7-D9 PolarHBondContact O-N 3.43Å; R7-D9 VanDerWaalsContact O-N 3.16Å; D9-R11 PolarHBondContact O-N 3.25Å
10L48Very low64.1Low117 Ų11794 Ų9461%0.61352%0.521SS*.  trans-65.394.3167.2-74.5170.3000104.9S8 F12S8-L10 PolarHBondContact O-N 3.06Å; L10-F12 HydrophobicContact CB-CE1 4.11Å; L10-F12 HydrophobicContact CB-CZ 4.19Å; L10-F12 PolarHBondContact O-N 3.34Å
11R67.9Low65.6Low206 Ų20697.2 Ų97.278%0.77753%0.533SS*.  trans-63.9106.7166.3-68-171.3-129.2173.63.2105.9D9 A13D9-R11 PolarHBondContact O-N 3.25Å; R11-A13 PolarHBondContact O-N 2.87Å
12F93.3Very high68.5Low55 Ų5588.6 Ų88.624%0.24150%0.497CS..G310 helixtrans-71.68.6177.4-62.7-65.6000112.3L10 D14 W15 A90 R93 S305 I308L10-F12 HydrophobicContact CB-CE1 4.11Å; L10-F12 HydrophobicContact CB-CZ 4.19Å; L10-F12 PolarHBondContact O-N 3.34Å; F12-D14 PolarHBondContact O-N 3.26Å; F12-D14 VanDerWaalsContact O-N 3.13Å; F12-W15 HydrophobicContact CB-CB 4.37Å; F12-W15 HydrophobicContact CD1-CB 4.39Å; F12-W15 PolarHBondContact O-N 3.02Å; F12-A90 WeakPolarHBondContact CB-O 3.4Å; F12-R93 PolarHBondContact O-NH2 3.39Å; F12-S305 VanDerWaalsContact CZ-CB 3.48Å; F12-I308 HydrophobicContact CB-CD1 3.86Å; F12-I308 HydrophobicContact CD1-CD1 3.72Å; F12-I308 HydrophobicContact CD1-CG2 4.44Å; F12-I308 HydrophobicContact CD2-CD1 4.5Å; F12-I308 HydrophobicContact CE1-CD1 4.41Å; F12-I308 HydrophobicContact CG-CD1 3.78Å
13A96.7Very high71.7Confident2 Ų284.6 Ų84.62%0.01746%0.461CS..G310 helixtrans-53.9-29.4174.600000113R11 E89 R93 F131 E138R11-A13 PolarHBondContact O-N 2.87Å; A13-E89 WeakPolarHBondContact CB-OE2 3.4Å; A13-E89 PolarHBondContact N-O 3.07Å; A13-E89 VanDerWaalsContact N-O 3.15Å; A13-R93 PolarHBondContact O-NH2 3.16Å; A13-F131 HydrophobicContact CB-CE2 4.28Å; A13-F131 WeakPolarHBondContact O-CZ 3.39Å; A13-E138 WeakPolarHBondContact O-CG 3.42Å
14D97.7Very high75Confident63 Ų6382.2 Ų82.234%0.33744%0.44SS..G310 helixtrans-12133-179.6-63.1-78.3000112.7F12 M16 A17 S18 H135 E138F12-D14 PolarHBondContact O-N 3.26Å; F12-D14 VanDerWaalsContact O-N 3.13Å; D14-M16 PolarHBondContact O-N 2.76Å; D14-A17 HydrophobicContact CB-CB 4.34Å; D14-A17 PolarHBondContact O-N 2.75Å; D14-S18 WeakPolarHBondContact O-CB 3.47Å; D14-S18 PolarHBondContact O-N 3.31Å; D14-S18 PolarHBondContact O-OG 3.29Å; D14-H135 IonicContact OD1-CE1 3.78Å; D14-H135 IonicContact OD1-CG 3.54Å; D14-H135 IonicContact OD1-ND1 2.72Å; D14-H135 PolarHBondContact OD1-ND1 3.24Å; D14-H135 IonicContact OD2-CE1 3.74Å; D14-H135 PolarHBondContact OD2-CE1 2.85Å; D14-H135 IonicContact OD2-ND1 2.86Å; D14-H135 PolarHBondContact OD2-ND1 3.18Å; D14-E138 VanDerWaalsContact C-OE1 3.27Å; D14-E138 WeakPolarHBondContact CA-OE1 3.42Å
15W97.8Very high78Confident6 Ų680.8 Ų80.82%0.02343%0.427CS..THydrogen-bonded Turntrans-66.9-34.6-171.478.1-97.8000113.2F12 S18 L19 I33 G91 R93 I308 N311F12-W15 HydrophobicContact CB-CB 4.37Å; F12-W15 HydrophobicContact CD1-CB 4.39Å; F12-W15 PolarHBondContact O-N 3.02Å; W15-S18 PolarHBondContact O-N 3.05Å; W15-L19 HydrophobicContact CE3-CD1 4.14Å; W15-L19 HydrophobicContact CE3-CD2 4.4Å; W15-L19 HydrophobicContact CE3-CG 4.23Å; W15-L19 HydrophobicContact CZ3-CD1 3.82Å; W15-L19 HydrophobicContact CZ3-CD2 4.39Å; W15-L19 HydrophobicContact CZ3-CG 4.33Å; W15-L19 PolarHBondContact O-N 3.24Å; W15-I33 HydrophobicContact CH2-CG1 4.38Å; W15-G91 PolarHBondContact NE1-O 3.17Å; W15-R93 HydrophobicContact CZ2-CG 4.09Å; W15-I308 HydrophobicContact CB-CD1 4.12Å; W15-I308 HydrophobicContact CB-CG2 4.19Å; W15-I308 HydrophobicContact CD2-CD1 4.09Å; W15-I308 HydrophobicContact CD2-CG1 3.92Å; W15-I308 HydrophobicContact CD2-CG2 4.13Å; W15-I308 HydrophobicContact CE3-CG1 4.28Å; W15-I308 HydrophobicContact CE3-CG2 3.9Å; W15-I308 HydrophobicContact CG-CD1 3.72Å; W15-I308 HydrophobicContact CG-CG1 4.1Å; W15-I308 HydrophobicContact CG-CG2 4.28Å; W15-N311 WeakPolarHBondContact CZ3-ND2 3.21Å
16M98.3Very high81Confident0 Ų074.6 Ų74.60%040%0.401CS..THydrogen-bonded Turntrans-69.1-39.6177.7-66179.7156.600110.8D14 S18 L19 R93 E138 V139 L181D14-M16 PolarHBondContact O-N 2.76Å; M16-S18 PolarHBondContact O-N 3.4Å; M16-L19 PolarHBondContact O-N 2.94Å; M16-R93 HydrophobicContact CE-CB 3.88Å; M16-R93 HydrophobicContact CE-CG 3.74Å; M16-R93 HydrophobicContact SD-CG 4.13Å; M16-E138 WeakPolarHBondContact CB-OE1 3.25Å; M16-E138 PolarHBondContact N-OE1 2.88Å; M16-E138 VanDerWaalsContact N-OE1 3.14Å; M16-E138 PolarHBondContact N-OE2 3.42Å; M16-V139 HydrophobicContact SD-CB 3.92Å; M16-V139 PolarHBondContact SD-N 3.27Å; M16-L181 HydrophobicContact CB-CD1 4.39Å; M16-L181 HydrophobicContact CB-CD2 4.12Å; M16-L181 HydrophobicContact CG-CD2 4.44Å; M16-L181 HydrophobicContact SD-CD2 4.11Å
17A97.6Very high84.2Confident30 Ų3072.7 Ų72.725%0.24838%0.376CS..THydrogen-bonded Turntrans-62.9-30.817400000113D14 K137 E138D14-A17 HydrophobicContact CB-CB 4.34Å; D14-A17 PolarHBondContact O-N 2.75Å; A17-K137 HydrophobicContact CB-CB 3.62Å; A17-K137 HydrophobicContact CB-CD 4.04Å; A17-K137 HydrophobicContact CB-CG 4.49Å; A17-E138 PolarHBondContact N-OE1 2.79Å
18S96.3Very high87.3Confident83 Ų8361 Ų6158%0.5833%0.332SS*.THydrogen-bonded Turntrans-85.8-7.6-176.5-56.80000114.1D14 W15 M16D14-S18 WeakPolarHBondContact O-CB 3.47Å; D14-S18 PolarHBondContact O-N 3.31Å; D14-S18 PolarHBondContact O-OG 3.29Å; W15-S18 PolarHBondContact O-N 3.05Å; M16-S18 PolarHBondContact O-N 3.4Å
19L96.4Very high90.1Very high6 Ų656.8 Ų56.83%0.03130%0.302CS..SBendtrans-62.2149.1176.2-74.4169.2000111.6W15 M16 M23 H24 M31 L181 N311 Y312W15-L19 HydrophobicContact CE3-CD1 4.14Å; W15-L19 HydrophobicContact CE3-CD2 4.4Å; W15-L19 HydrophobicContact CE3-CG 4.23Å; W15-L19 HydrophobicContact CZ3-CD1 3.82Å; W15-L19 HydrophobicContact CZ3-CD2 4.39Å; W15-L19 HydrophobicContact CZ3-CG 4.33Å; W15-L19 PolarHBondContact O-N 3.24Å; M16-L19 PolarHBondContact O-N 2.94Å; L19-M23 HydrophobicContact CB-CB 4.12Å; L19-M23 HydrophobicContact CD1-CB 4.41Å; L19-H24 PolarHBondContact O-NE2 2.62Å; L19-M31 HydrophobicContact CD1-CE 3.23Å; L19-L181 HydrophobicContact CD1-CD1 3.75Å; L19-N311 HydrophobicContact CD2-CB 3.76Å; L19-Y312 HydrophobicContact CD2-CE1 4.34Å; L19-Y312 HydrophobicContact CD2-CE2 3.9Å
20P95.3Very high92.7Very high36 Ų3651.4 Ų51.423%0.23427%0.274CS..  trans-61.8155.7176.232.9-42.2000111.3S22 M23 H24 L315P20-S22 PolarHBondContact O-N 3.06Å; P20-S22 VanDerWaalsContact O-N 3.16Å; P20-M23 HydrophobicContact CG-CB 4.21Å; P20-M23 HydrophobicContact CG-CG 3.67Å; P20-M23 WeakPolarHBondContact O-CB 3.49Å; P20-M23 PolarHBondContact O-N 3.43Å; P20-H24 PolarHBondContact O-CD2 3.36Å; P20-H24 VanDerWaalsContact O-CD2 3.29Å; P20-H24 PolarHBondContact O-NE2 2.97Å; P20-L315 HydrophobicContact CB-CD1 4.23Å; P20-L315 HydrophobicContact CB-CD2 4.47Å; P20-L315 HydrophobicContact CG-CD1 3.62Å; P20-L315 HydrophobicContact CG-CD2 4.18Å; P20-L315 HydrophobicContact CG-CG 4.45Å
21Q95.2Very high95Very high163 Ų16345.9 Ų45.976%0.76224%0.244SC*.G310 helixtrans-59.4-31.6-176-168.2175.617.200113.6M23 H24Q21-M23 PolarHBondContact O-N 3.2Å; Q21-H24 WeakPolarHBondContact O-CB 3.28Å; Q21-H24 PolarHBondContact O-N 3.16Å
22S94.4Very high96.4Very high69 Ų6936 Ų3648%0.48321%0.207SC..G310 helixtrans-58.9-29.417552.60000112.9P20P20-S22 PolarHBondContact O-N 3.06Å; P20-S22 VanDerWaalsContact O-N 3.16Å
23M96.3Very high96.7Very high19 Ų1933.4 Ų33.49%0.09420%0.196CC..G310 helixtrans-81.1-17.1177.8-68.4-61.6-62.800113.1L19 P20 Q21 T25 V26 M31 N311L19-M23 HydrophobicContact CB-CB 4.12Å; L19-M23 HydrophobicContact CD1-CB 4.41Å; P20-M23 HydrophobicContact CG-CB 4.21Å; P20-M23 HydrophobicContact CG-CG 3.67Å; P20-M23 WeakPolarHBondContact O-CB 3.49Å; P20-M23 PolarHBondContact O-N 3.43Å; Q21-M23 PolarHBondContact O-N 3.2Å; M23-T25 PolarHBondContact O-N 3.29Å; M23-V26 HydrophobicContact CE-CB 4.32Å; M23-V26 HydrophobicContact CE-CG1 4.35Å; M23-V26 HydrophobicContact CE-CG2 4.29Å; M23-V26 PolarHBondContact O-N 3.27Å; M23-V26 VanDerWaalsContact O-N 3.15Å; M23-V26 HydrophobicContact SD-CG2 3.95Å; M23-M31 HydrophobicContact CE-CE 4.14Å; M23-M31 HydrophobicContact CE-CG 4.04Å; M23-N311 HydrophobicContact CE-CB 4.11Å
24H97.4Very high96.8Very high36 Ų3633.3 Ų33.317%0.16720%0.195CC..THydrogen-bonded Turntrans-67.3-24.8-174.8-61.1174000112.8L19 P20 Q21 L181 K182 W185L19-H24 PolarHBondContact O-NE2 2.62Å; P20-H24 PolarHBondContact O-CD2 3.36Å; P20-H24 VanDerWaalsContact O-CD2 3.29Å; P20-H24 PolarHBondContact O-NE2 2.97Å; Q21-H24 WeakPolarHBondContact O-CB 3.28Å; Q21-H24 PolarHBondContact O-N 3.16Å; H24-L181 PolarHBondContact O-N 3.04Å; H24-K182 HydrophobicContact CB-CB 4.38Å; H24-K182 WeakPolarHBondContact O-CB 3.49Å; H24-K182 PolarHBondContact O-N 3.33Å; H24-W185 HydrophobicContact CB-CZ3 4.37Å; H24-W185 AromaticContact CD2-CH2 3.77Å; H24-W185 AromaticContact CD2-CZ3 3.89Å; H24-W185 AromaticContact CE1-CZ3 3.75Å; H24-W185 AromaticContact CG-CZ3 3.71Å; H24-W185 AromaticContact ND1-CZ3 3.62Å; H24-W185 AromaticContact NE2-CH2 3.77Å; H24-W185 AromaticContact NE2-CZ3 3.92Å
25T97Very high96.8Very high86 Ų8630.3 Ų30.353%0.52818%0.179SC..THydrogen-bonded Turntrans-100.8-0.4177.753.60000113.5M23 T180 K182M23-T25 PolarHBondContact O-N 3.29Å; T25-T180 VanDerWaalsContact O-CG2 3.28Å; T25-T180 WeakPolarHBondContact O-CG2 3.3Å; T25-K182 HydrophobicContact CG2-CD 3.99Å
26V96.1Very high96.7Very high37 Ų3730 Ų3022%0.22418%0.178CC..SBendtrans-72.6132.5173.7176.90000108.2M23 L28 N30 M31M23-V26 HydrophobicContact CE-CB 4.32Å; M23-V26 HydrophobicContact CE-CG1 4.35Å; M23-V26 HydrophobicContact CE-CG2 4.29Å; M23-V26 PolarHBondContact O-N 3.27Å; M23-V26 VanDerWaalsContact O-N 3.15Å; M23-V26 HydrophobicContact SD-CG2 3.95Å; V26-L28 PolarHBondContact O-N 3.12Å; V26-N30 HydrophobicContact CG1-CB 3.93Å; V26-M31 HydrophobicContact CB-CG 4.46Å; V26-M31 HydrophobicContact CG1-CG 3.97Å
27P96.3Very high96.4Very high27 Ų2730.8 Ų30.818%0.17518%0.181CC..BIsolated β-bridgetrans-57136.7174.3-25.334.6000110.5A29 N30 Q177 V179P27-A29 PolarHBondContact O-N 3.05Å; P27-A29 VanDerWaalsContact O-N 3.14Å; P27-N30 WeakPolarHBondContact O-CA 3.36Å; P27-N30 WeakPolarHBondContact O-CB 3.28Å; P27-N30 PolarHBondContact O-N 2.67Å; P27-Q177 WeakPolarHBondContact CG-O 3.45Å; P27-V179 CarbonylContact C-O 3.6Å; P27-V179 VanDerWaalsContact CA-O 3.29Å; P27-V179 WeakPolarHBondContact CA-O 3.27Å
28L97.5Very high95.9Very high0 Ų029.5 Ų29.50%017%0.17CC..G310 helixtrans-60.5-27.8179.4-89.665.3000111.6V26 N30 M31 V139 F141 V179 T180 L181 L184 F242 N291V26-L28 PolarHBondContact O-N 3.12Å; L28-N30 PolarHBondContact O-N 3.33Å; L28-M31 HydrophobicContact CD1-SD 4.1Å; L28-M31 HydrophobicContact CG-SD 4.12Å; L28-M31 PolarHBondContact O-N 3.45Å; L28-V139 HydrophobicContact CD2-CG1 4.11Å; L28-F141 HydrophobicContact CB-CZ 4.08Å; L28-F141 HydrophobicContact CD2-CE2 3.97Å; L28-F141 HydrophobicContact CD2-CZ 3.59Å; L28-F141 HydrophobicContact CG-CZ 4.34Å; L28-V179 HydrophobicContact CB-CG1 4.33Å; L28-V179 HydrophobicContact CD1-CG1 4.4Å; L28-V179 WeakPolarHBondContact CD1-O 3.49Å; L28-V179 HydrophobicContact CD2-CG1 4.19Å; L28-V179 PolarHBondContact N-O 3.03Å; L28-T180 VanDerWaalsContact CD1-CA 3.49Å; L28-L181 HydrophobicContact CD1-CD2 4.16Å; L28-L181 HydrophobicContact CD1-CG 4Å; L28-L184 HydrophobicContact CD1-CD1 4.33Å; L28-L184 HydrophobicContact CD2-CD1 3.57Å; L28-F242 HydrophobicContact CB-CE1 3.91Å; L28-N291 PolarHBondContact O-ND2 2.89Å
29A95.7Very high95.2Very high1 Ų125.6 Ų25.61%0.00814%0.143CC..G310 helixtrans-61.1-19.8170.900000112.8P27 A176 R236 F242 N291P27-A29 PolarHBondContact O-N 3.05Å; P27-A29 VanDerWaalsContact O-N 3.14Å; A29-A176 HydrophobicContact CB-CB 4.35Å; A29-R236 PolarHBondContact O-NH2 3.49Å; A29-F242 HydrophobicContact CB-CD1 3.93Å; A29-F242 HydrophobicContact CB-CE1 4.05Å; A29-N291 VanDerWaalsContact O-CB 3.3Å; A29-N291 WeakPolarHBondContact O-CB 2.91Å; A29-N291 PolarHBondContact O-ND2 3.04Å
30N95.2Very high94.2Very high38 Ų3825.8 Ų25.820%0.20314%0.143CC..G310 helixtrans-106.711.9-179.3-68-8.8000112.6V26 P27 L28 P285 G286 E287V26-N30 HydrophobicContact CG1-CB 3.93Å; P27-N30 WeakPolarHBondContact O-CA 3.36Å; P27-N30 WeakPolarHBondContact O-CB 3.28Å; P27-N30 PolarHBondContact O-N 2.67Å; L28-N30 PolarHBondContact O-N 3.33Å; N30-P285 WeakPolarHBondContact O-CB 3.1Å; N30-G286 PolarHBondContact O-N 3.26Å; N30-E287 PolarHBondContact OD1-N 3.4Å
31M96.6Very high92.7Very high0 Ų024.2 Ų24.20%013%0.134CC..SBendtrans-105.1152.6177.3-6317966.800111.3L19 M23 V26 L28 I33 L181 N291L19-M31 HydrophobicContact CD1-CE 3.23Å; M23-M31 HydrophobicContact CE-CE 4.14Å; M23-M31 HydrophobicContact CE-CG 4.04Å; V26-M31 HydrophobicContact CB-CG 4.46Å; V26-M31 HydrophobicContact CG1-CG 3.97Å; L28-M31 HydrophobicContact CD1-SD 4.1Å; L28-M31 HydrophobicContact CG-SD 4.12Å; L28-M31 PolarHBondContact O-N 3.45Å; M31-I33 HydrophobicContact CB-CG1 4.34Å; M31-L181 HydrophobicContact CE-CD1 3.92Å; M31-L181 HydrophobicContact CE-CG 4.47Å; M31-L181 HydrophobicContact SD-CD1 4.34Å; M31-L181 HydrophobicContact SD-CG 4.32Å; M31-N291 CarbonylContact O-C 3.52Å; M31-N291 VanDerWaalsContact O-CA 3.24Å; M31-N291 WeakPolarHBondContact O-CA 3.49Å; M31-N291 PolarHBondContact O-ND2 3.48Å
32A97.8Very high90.9Very high0 Ų018.7 Ų18.70%011%0.107CC..  trans-80.8119.3170.500000109.7P285 I290 N291 V307 L310 N311A32-P285 HydrophobicContact CB-CB 4.08Å; A32-P285 HydrophobicContact CB-CG 4.37Å; A32-I290 HydrophobicContact CB-CD1 3.51Å; A32-N291 WeakPolarHBondContact CA-O 3.42Å; A32-V307 HydrophobicContact CB-CG1 4.14Å; A32-V307 WeakPolarHBondContact CB-O 3.48Å; A32-L310 HydrophobicContact CB-CB 3.65Å; A32-L310 HydrophobicContact CB-CD1 4.15Å; A32-L310 HydrophobicContact CB-CG 4.48Å; A32-N311 PolarHBondContact N-OD1 3.17Å; A32-N311 PolarHBondContact O-ND2 3.35Å
33I98.6Very high89Confident0 Ų020.9 Ų20.90%011%0.106CC..EExtended strand (participates in β ladder)trans-125.9121.3-175.6-61.6169000109.3W15 M31 R93 F94 F141 N291 I292 I293W15-I33 HydrophobicContact CH2-CG1 4.38Å; M31-I33 HydrophobicContact CB-CG1 4.34Å; I33-R93 HydrophobicContact CG2-CB 3.89Å; I33-F94 HydrophobicContact CG2-CB 4.43Å; I33-F141 HydrophobicContact CD1-CE2 3.69Å; I33-F141 HydrophobicContact CD1-CZ 3.83Å; I33-N291 PolarHBondContact N-O 2.91Å; I33-I292 HydrophobicContact CB-CG1 3.92Å; I33-I292 HydrophobicContact CD1-CG1 4.3Å; I33-I292 HydrophobicContact CG2-CG1 4.28Å; I33-I292 WeakPolarHBondContact O-CA 3.42Å; I33-I293 PolarHBondContact O-N 3.25Å
34P98.4Very high87.3Confident0 Ų020.3 Ų20.30%010%0.103CC..EExtended strand (participates in β ladder)trans-74.4129.8175.632.9-36.6000110.4G91 I92 R93 F94 F303 I304 V307 I308P34-G91 VanDerWaalsContact CG-O 3.22Å; P34-G91 WeakPolarHBondContact CG-O 3.44Å; P34-I92 HydrophobicContact CB-CD1 4.15Å; P34-R93 PolarHBondContact O-N 3.15Å; P34-F94 PolarHBondContact O-N 3.47Å; P34-F303 HydrophobicContact CB-CE1 4.29Å; P34-I304 HydrophobicContact CB-CG2 4.17Å; P34-I304 HydrophobicContact CG-CG2 4.08Å; P34-V307 HydrophobicContact CB-CB 4.1Å; P34-V307 HydrophobicContact CB-CG1 4.07Å; P34-I308 HydrophobicContact CG-CD1 4.34Å; P34-I308 HydrophobicContact CG-CG1 3.95Å
35G98Very high85.2Confident0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-126.6160.2175.800000112.6F94 I293 T294 A295G35-F94 WeakPolarHBondContact CA-O 3.38Å; G35-I293 PolarHBondContact N-O 2.8Å; G35-T294 WeakPolarHBondContact O-CA 3.34Å; G35-A295 PolarHBondContact O-N 2.91Å
36S96.1Very high83.2Confident0 Ų020.6 Ų20.60%010%0.099CC..EExtended strand (participates in β ladder)trans-107.1136.2170.553.10000110.4S39 Q87 F94 D96S36-S39 PolarHBondContact O-OG 3.3Å; S36-S39 VanDerWaalsContact OG-CB 3.23Å; S36-S39 WeakPolarHBondContact OG-CB 3.32Å; S36-S39 PolarHBondContact OG-OG 3.24Å; S36-Q87 PolarHBondContact OG-OE1 3.29Å; S36-F94 PolarHBondContact N-O 2.97Å; S36-D96 PolarHBondContact O-N 2.89Å
37H92.7Very high81.2Confident15 Ų1522.9 Ų22.97%0.06912%0.123CC..THydrogen-bonded Turntrans-84.2139.8172.4167.4-104.4000110S39 T79 Q80 D96 R98 V248 A295 D296H37-S39 VanDerWaalsContact C-N 3.25Å; H37-S39 PolarHBondContact O-N 3.43Å; H37-T79 PolarHBondContact O-OG1 3.2Å; H37-Q80 PolarHBondContact O-NE2 3Å; H37-D96 IonicContact CD2-OD2 3.38Å; H37-D96 PolarHBondContact CD2-OD2 2.76Å; H37-D96 IonicContact NE2-OD2 3.44Å; H37-R98 PolarHBondContact NE2-NH2 3.21Å; H37-V248 HydrophobicContact CB-CG1 3.77Å; H37-A295 PolarHBondContact N-O 2.96Å; H37-A295 VanDerWaalsContact N-O 3.14Å; H37-D296 IonicContact CE1-OD1 3.4Å; H37-D296 IonicContact CG-OD1 3.5Å; H37-D296 IonicContact ND1-OD1 3.15Å; H37-D296 PolarHBondContact ND1-OD1 3.27Å
38D85.6Confident79.3Confident4 Ų421.9 Ų21.92%0.02112%0.116CC..THydrogen-bonded Turntrans45.553.1-175.6-83.1-45.7000111.5F40 S41 T79 D96 R98 H114D38-F40 PolarHBondContact O-N 3.11Å; D38-S41 WeakPolarHBondContact O-CB 2.83Å; D38-S41 PolarHBondContact O-N 3.5Å; D38-S41 PolarHBondContact O-OG 3.15Å; D38-S41 VanDerWaalsContact O-OG 3.1Å; D38-T79 HydrophobicContact CB-CG2 3.98Å; D38-T79 WeakPolarHBondContact CB-OG1 3.2Å; D38-T79 PolarHBondContact O-OG1 3.13Å; D38-D96 PolarHBondContact N-OD2 2.96Å; D38-R98 WeakPolarHBondContact OD1-CD 3.41Å; D38-R98 IonicContact OD1-CZ 3.87Å; D38-R98 IonicContact OD1-NE 3.29Å; D38-R98 PolarHBondContact OD1-NE 3.08Å; D38-R98 IonicContact OD1-NH1 2.88Å; D38-R98 PolarHBondContact OD1-NH1 3.44Å; D38-R98 IonicContact OD1-NH2 3.94Å; D38-R98 PolarHBondContact OD1-NH2 2.98Å; D38-R98 IonicContact OD2-CZ 3.81Å; D38-R98 VanDerWaalsContact OD2-CZ 3.22Å; D38-R98 IonicContact OD2-NH1 2.67Å; D38-R98 PolarHBondContact OD2-NH1 3.21Å; D38-R98 IonicContact OD2-NH2 2.85Å; D38-R98 PolarHBondContact OD2-NH2 3.38Å; D38-H114 HydrophobicContact CB-CB 4.44Å; D38-H114 VanDerWaalsContact CG-CD2 3.43Å; D38-H114 IonicContact OD1-CD2 3.21Å; D38-H114 IonicContact OD1-CG 3.96Å; D38-H114 IonicContact OD2-CD2 3.65Å; D38-H114 PolarHBondContact OD2-CD2 3.21Å; D38-H114 IonicContact OD2-CE1 2.76Å; D38-H114 PolarHBondContact OD2-CE1 3.34Å; D38-H114 IonicContact OD2-CG 3.01Å; D38-H114 IonicContact OD2-ND1 3.95Å; D38-H114 IonicContact OD2-NE2 3.77Å; D38-H114 PolarHBondContact OD2-NE2 2.86Å
39S81.9Confident77.5Confident0 Ų025.1 Ų25.10%014%0.137CC..THydrogen-bonded Turntrans-53.8-21.7-157.3-63.30000116.1S36 H37 Q87 F95 D96S36-S39 PolarHBondContact O-OG 3.3Å; S36-S39 VanDerWaalsContact OG-CB 3.23Å; S36-S39 WeakPolarHBondContact OG-CB 3.32Å; S36-S39 PolarHBondContact OG-OG 3.24Å; H37-S39 VanDerWaalsContact C-N 3.25Å; H37-S39 PolarHBondContact O-N 3.43Å; S39-Q87 PolarHBondContact O-NE2 2.8Å; S39-F95 WeakPolarHBondContact OG-CA 3.33Å; S39-F95 WeakPolarHBondContact OG-CB 3.45Å; S39-D96 PolarHBondContact N-O 3.42Å; S39-D96 PolarHBondContact OG-N 3.16Å; S39-D96 PolarHBondContact OG-O 3.15Å
40F75.1Confident75.9Confident10 Ų1026.7 Ų26.74%0.04415%0.146CC..THydrogen-bonded Turntrans-117.822.2-171.5-150.2-98.7000113.9D38 F42 F84 F112 S118 A119D38-F40 PolarHBondContact O-N 3.11Å; F40-F42 HydrophobicContact CD1-CE1 4.29Å; F40-F42 HydrophobicContact CD2-CD1 4.13Å; F40-F42 AromaticContact CD2-CE1 3.25Å; F40-F42 HydrophobicContact CD2-CE1 3.25Å; F40-F42 AromaticContact CD2-CZ 3.97Å; F40-F42 HydrophobicContact CD2-CZ 3.97Å; F40-F42 HydrophobicContact CE1-CE1 4.27Å; F40-F42 HydrophobicContact CE1-CZ 4.25Å; F40-F42 HydrophobicContact CE2-CD1 4.38Å; F40-F42 AromaticContact CE2-CE1 3.17Å; F40-F42 HydrophobicContact CE2-CE1 3.17Å; F40-F42 AromaticContact CE2-CZ 3.39Å; F40-F42 HydrophobicContact CE2-CZ 3.39Å; F40-F42 HydrophobicContact CG-CD1 4.45Å; F40-F42 AromaticContact CG-CE1 3.86Å; F40-F42 HydrophobicContact CG-CE1 3.86Å; F40-F42 AromaticContact CZ-CE1 3.75Å; F40-F42 HydrophobicContact CZ-CE1 3.75Å; F40-F42 AromaticContact CZ-CZ 3.58Å; F40-F42 HydrophobicContact CZ-CZ 3.58Å; F40-F42 PolarHBondContact O-N 3.25Å; F40-F84 HydrophobicContact CB-CZ 4.33Å; F40-F84 AromaticContact CD2-CD2 3.44Å; F40-F84 HydrophobicContact CD2-CD2 3.44Å; F40-F84 VanDerWaalsContact CD2-CD2 3.44Å; F40-F84 HydrophobicContact CD2-CE1 4.3Å; F40-F84 AromaticContact CD2-CE2 2.97Å; F40-F84 HydrophobicContact CD2-CE2 2.97Å; F40-F84 HydrophobicContact CD2-CG 4.26Å; F40-F84 AromaticContact CD2-CZ 3.47Å; F40-F84 HydrophobicContact CD2-CZ 3.47Å; F40-F84 VanDerWaalsContact CD2-CZ 3.47Å; F40-F84 AromaticContact CE2-CD2 3.26Å; F40-F84 HydrophobicContact CE2-CD2 3.26Å; F40-F84 AromaticContact CE2-CE2 3.18Å; F40-F84 HydrophobicContact CE2-CE2 3.18Å; F40-F84 HydrophobicContact CE2-CG 4.28Å; F40-F84 HydrophobicContact CE2-CZ 4.14Å; F40-F84 AromaticContact CG-CE2 3.93Å; F40-F84 HydrophobicContact CG-CE2 3.93Å; F40-F84 HydrophobicContact CG-CZ 4.18Å; F40-F84 HydrophobicContact CZ-CD2 4.41Å; F40-F84 HydrophobicContact CZ-CE2 4.22Å; F40-F112 HydrophobicContact CB-CB 3.77Å; F40-F112 HydrophobicContact CB-CD1 4.37Å; F40-F112 HydrophobicContact CB-CD2 4.15Å; F40-F112 HydrophobicContact CB-CG 3.85Å; F40-F112 HydrophobicContact CD1-CB 3.39Å; F40-F112 AromaticContact CD1-CD2 3.27Å; F40-F112 HydrophobicContact CD1-CD2 3.27Å; F40-F112 HydrophobicContact CD1-CE2 4.24Å; F40-F112 AromaticContact CD1-CG 3.6Å; F40-F112 HydrophobicContact CD1-CG 3.6Å; F40-F112 HydrophobicContact CD2-CD2 4.12Å; F40-F112 HydrophobicContact CD2-CE2 4.37Å; F40-F112 HydrophobicContact CE1-CB 4.24Å; F40-F112 AromaticContact CE1-CD2 3.51Å; F40-F112 HydrophobicContact CE1-CD2 3.51Å; F40-F112 HydrophobicContact CE1-CE2 4.29Å; F40-F112 HydrophobicContact CE1-CG 4.27Å; F40-F112 HydrophobicContact CE2-CD2 4.35Å; F40-F112 HydrophobicContact CE2-CE2 4.47Å; F40-F112 HydrophobicContact CG-CB 3.88Å; F40-F112 AromaticContact CG-CD2 3.57Å; F40-F112 HydrophobicContact CG-CD2 3.57Å; F40-F112 HydrophobicContact CG-CE2 4.24Å; F40-F112 AromaticContact CG-CG 3.78Å; F40-F112 HydrophobicContact CG-CG 3.78Å; F40-F112 HydrophobicContact CZ-CD2 4.07Å; F40-F112 HydrophobicContact CZ-CE2 4.42Å; F40-S118 WeakPolarHBondContact CD1-OG 3.47Å; F40-S118 WeakPolarHBondContact CE1-OG 3.22Å; F40-S118 WeakPolarHBondContact O-CB 3.48Å; F40-S118 PolarHBondContact O-OG 3.16Å; F40-S118 VanDerWaalsContact O-OG 3.11Å; F40-A119 HydrophobicContact CE1-CB 3.33Å; F40-A119 HydrophobicContact CZ-CB 3.5Å; F40-A119 VanDerWaalsContact CZ-CB 3.5Å
41S63.9Low74.2Confident4 Ų425 Ų253%0.02814%0.138CC..THydrogen-bonded Turntrans-79.8717468.30000114.3D38 A78 T79 Q80D38-S41 WeakPolarHBondContact O-CB 2.83Å; D38-S41 PolarHBondContact O-N 3.5Å; D38-S41 PolarHBondContact O-OG 3.15Å; D38-S41 VanDerWaalsContact O-OG 3.1Å; S41-A78 WeakPolarHBondContact O-CA 3.45Å; S41-T79 WeakPolarHBondContact OG-CA 3.47Å; S41-T79 WeakPolarHBondContact OG-CB 3.29Å; S41-T79 PolarHBondContact OG-N 2.99Å; S41-T79 PolarHBondContact OG-OG1 3.01Å; S41-Q80 PolarHBondContact OG-N 3.34Å
42F57.2Low72.4Confident46 Ų4628.9 Ų28.920%0.20216%0.163CC..THydrogen-bonded Turntrans-73.2-33-178.370.4-94.2000113.6F40 Q80 M82 N83F40-F42 HydrophobicContact CD1-CE1 4.29Å; F40-F42 HydrophobicContact CD2-CD1 4.13Å; F40-F42 AromaticContact CD2-CE1 3.25Å; F40-F42 HydrophobicContact CD2-CE1 3.25Å; F40-F42 AromaticContact CD2-CZ 3.97Å; F40-F42 HydrophobicContact CD2-CZ 3.97Å; F40-F42 HydrophobicContact CE1-CE1 4.27Å; F40-F42 HydrophobicContact CE1-CZ 4.25Å; F40-F42 HydrophobicContact CE2-CD1 4.38Å; F40-F42 AromaticContact CE2-CE1 3.17Å; F40-F42 HydrophobicContact CE2-CE1 3.17Å; F40-F42 AromaticContact CE2-CZ 3.39Å; F40-F42 HydrophobicContact CE2-CZ 3.39Å; F40-F42 HydrophobicContact CG-CD1 4.45Å; F40-F42 AromaticContact CG-CE1 3.86Å; F40-F42 HydrophobicContact CG-CE1 3.86Å; F40-F42 AromaticContact CZ-CE1 3.75Å; F40-F42 HydrophobicContact CZ-CE1 3.75Å; F40-F42 AromaticContact CZ-CZ 3.58Å; F40-F42 HydrophobicContact CZ-CZ 3.58Å; F40-F42 PolarHBondContact O-N 3.25Å; F42-Q80 WeakPolarHBondContact CA-O 3.42Å; F42-Q80 HydrophobicContact CB-CB 4.29Å; F42-Q80 VanDerWaalsContact CB-O 3.24Å; F42-Q80 WeakPolarHBondContact CB-O 3.42Å; F42-M82 WeakPolarHBondContact CD1-O 3.17Å; F42-N83 HydrophobicContact CD2-CB 4.43Å; F42-N83 VanDerWaalsContact CE1-CA 3.48Å; F42-N83 HydrophobicContact CE1-CB 3.92Å; F42-N83 HydrophobicContact CE2-CB 3.78Å; F42-N83 HydrophobicContact CZ-CB 3.49Å; F42-N83 VanDerWaalsContact CZ-CB 3.49Å
43Y55.3Low70.7Confident116 Ų11631.5 Ų31.546%0.45518%0.176SC..  trans-106.9122.1174.1-174.6-98.3000108.3D45 S118Y43-D45 HydrophobicContact CE1-CB 4.11Å; Y43-S118 WeakPolarHBondContact O-CA 3.32Å; Y43-S118 WeakPolarHBondContact O-CB 3.3Å; Y43-S118 PolarHBondContact O-OG 3.35Å
44I59.9Low68.8Low7 Ų733 Ų334%0.03618%0.182CC..  trans-125.3113.8177.3-77175.7000104.9E46 R74 L77 A78 L116I44-E46 PolarHBondContact O-N 3.13Å; I44-R74 HydrophobicContact CB-CG 4.22Å; I44-R74 HydrophobicContact CD1-CG 4.1Å; I44-R74 HydrophobicContact CG2-CG 4.31Å; I44-L77 HydrophobicContact CD1-CB 3.98Å; I44-A78 HydrophobicContact CD1-CB 4.37Å; I44-L116 HydrophobicContact CB-CB 4.48Å; I44-L116 HydrophobicContact CD1-CD1 4.42Å; I44-L116 HydrophobicContact CG1-CB 4.31Å; I44-L116 HydrophobicContact CG2-CB 3.62Å; I44-L116 HydrophobicContact CG2-CD1 3.23Å; I44-L116 HydrophobicContact CG2-CG 3.99Å
45D55.3Low67.1Low39 Ų3936.2 Ų36.221%0.20920%0.204CC..  trans-71.6113.5179.1174.117.6000110.1Y43 A47 S48 F117Y43-D45 HydrophobicContact CE1-CB 4.11Å; D45-A47 PolarHBondContact O-N 3.43Å; D45-A47 WeakPolarHBondContact OD1-CB 3.35Å; D45-A47 PolarHBondContact OD1-N 3.29Å; D45-S48 WeakPolarHBondContact O-CB 3.38Å; D45-S48 PolarHBondContact O-N 3.28Å; D45-S48 PolarHBondContact OD2-N 3.37Å; D45-S48 PolarHBondContact OD2-OG 3.14Å; D45-F117 PolarHBondContact N-O 2.98Å; D45-F117 VanDerWaalsContact N-O 3.08Å
46E54.3Low65.4Low88 Ų8843.4 Ų43.441%0.41124%0.237SC..THydrogen-bonded Turntrans-64.2-25.5-178.4-61.7-172.9-175.900112.7I44 K70 R74I44-E46 PolarHBondContact O-N 3.13Å; E46-K70 PolarHBondContact O-NZ 2.93Å; E46-R74 IonicContact OE1-NH1 3.29Å; E46-R74 PolarHBondContact OE1-NH1 3.02Å
47A54.6Low63.6Low86 Ų8648 Ų4871%0.71127%0.265SS*.THydrogen-bonded Turntrans-79.5-21.1176.800000112.5D45D45-A47 PolarHBondContact O-N 3.43Å; D45-A47 WeakPolarHBondContact OD1-CB 3.35Å; D45-A47 PolarHBondContact OD1-N 3.29Å
48S56.3Low62.1Low6 Ų648.7 Ų48.74%0.04227%0.27CS..SBendtrans-71.5150.6-176.7-79.60000112.6D45 K70 K102D45-S48 WeakPolarHBondContact O-CB 3.38Å; D45-S48 PolarHBondContact O-N 3.28Å; D45-S48 PolarHBondContact OD2-N 3.37Å; D45-S48 PolarHBondContact OD2-OG 3.14Å; S48-K70 PolarHBondContact O-NZ 3.15Å; S48-K102 WeakPolarHBondContact OG-CE 3.26Å; S48-K102 PolarHBondContact OG-NZ 3.22Å
49P58.6Low61.1Low68 Ų6852.4 Ų52.444%0.44229%0.288SS..PPolyproline II helixtrans-68160.6174.726.5-29.9000111.1F117P49-F117 HydrophobicContact CG-CD2 4.35Å; P49-F117 HydrophobicContact CG-CE2 3.88Å; P49-F117 WeakPolarHBondContact O-CD2 3.31Å
50V62.3Low60Low33 Ų3356.9 Ų56.920%0.231%0.312CS..BIsolated β-bridgetrans-64.9136.7173-176.20000109Q54 Q59 V62 M73 L116V50-Q54 HydrophobicContact CG1-CB 3.75Å; V50-Q54 HydrophobicContact CG1-CG 3.75Å; V50-Q59 HydrophobicContact CG1-CG 4.46Å; V50-V62 HydrophobicContact CG2-CB 3.89Å; V50-V62 HydrophobicContact CG2-CG1 3.73Å; V50-V62 HydrophobicContact CG2-CG2 3.76Å; V50-M73 HydrophobicContact CG1-CE 4.31Å; V50-L116 HydrophobicContact CG2-CD2 4.45Å
51G60.3Low59.3Low3 Ų358.7 Ų58.73%0.03132%0.32CS..PPolyproline II helixtrans-60.7144.4178.300000112.2E53 Q54 G115G51-E53 WeakPolarHBondContact CA-OE2 3.38Å; G51-E53 PolarHBondContact O-N 3.15Å; G51-E53 VanDerWaalsContact O-N 3.17Å; G51-Q54 PolarHBondContact O-N 3.23Å; G51-G115 WeakPolarHBondContact CA-O 3.3Å; G51-G115 PolarHBondContact N-O 2.82Å
52P59.2Low59.3Low81 Ų8159.3 Ų59.353%0.52632%0.323SS..THydrogen-bonded Turntrans-63.2-18.8-176.927.6-36.2000114.3Q54P52-Q54 VanDerWaalsContact C-N 3.31Å
53E60.5Low59.4Low56 Ų5661.3 Ų61.326%0.26234%0.343SS..THydrogen-bonded Turntrans-77.8-11.6179.974.4-75.5-176.100114G51 G115 Y148G51-E53 WeakPolarHBondContact CA-OE2 3.38Å; G51-E53 PolarHBondContact O-N 3.15Å; G51-E53 VanDerWaalsContact O-N 3.17Å; E53-G115 WeakPolarHBondContact OE1-CA 3.44Å; E53-G115 PolarHBondContact OE1-N 2.68Å; E53-Y148 HydrophobicContact CB-CD1 4.15Å; E53-Y148 HydrophobicContact CB-CE1 3.89Å; E53-Y148 HydrophobicContact CG-CE1 4.39Å
54Q60.5Low59.4Low30 Ų3060.8 Ų60.814%0.1435%0.351CS..SBendtrans-76.5139.7-178.8-69.3-63.1-40.600111.6V50 G51 P52 V58 Q59V50-Q54 HydrophobicContact CG1-CB 3.75Å; V50-Q54 HydrophobicContact CG1-CG 3.75Å; G51-Q54 PolarHBondContact O-N 3.23Å; P52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-V58 HydrophobicContact CB-CB 4.26Å; Q54-V58 HydrophobicContact CB-CG1 4.08Å; Q54-V58 HydrophobicContact CG-CG1 4.38Å; Q54-Q59 PolarHBondContact O-NE2 2.76Å
55P62.3Low59.1Low69 Ų6966 Ų6645%0.44837%0.374SS..  trans-56.2150.4177.7-24.332.7000113T57 V58 Q59P55-T57 PolarHBondContact O-N 2.71Å; P55-V58 HydrophobicContact CB-CG2 4.4Å; P55-V58 HydrophobicContact CG-CG2 4.37Å; P55-V58 WeakPolarHBondContact O-CA 3.42Å; P55-V58 WeakPolarHBondContact O-CB 3.4Å; P55-V58 PolarHBondContact O-N 2.88Å; P55-Q59 PolarHBondContact O-N 2.9Å
56E62.3Low59.6Low150 Ų15065.7 Ų65.770%0.70138%0.38SS*.Hα-helixtrans-53.4-33.8177.7-74.4-174.5169.900112.9V58 Q59 N60E56-V58 VanDerWaalsContact C-N 3.28Å; E56-V58 PolarHBondContact O-N 2.85Å; E56-Q59 PolarHBondContact O-N 3.38Å; E56-N60 WeakPolarHBondContact O-CB 3.47Å; E56-N60 PolarHBondContact O-N 2.91Å; E56-N60 PolarHBondContact O-ND2 3.29Å; E56-N60 VanDerWaalsContact O-ND2 3.16Å
57T58.5Low60Low97 Ų9766 Ų6660%0.59539%0.388SS*.Hα-helixtrans-61.6-36.9175.951.60000112.6P55 F61P55-T57 PolarHBondContact O-N 2.71Å; T57-F61 VanDerWaalsContact O-CB 3.29Å; T57-F61 WeakPolarHBondContact O-CB 3.31Å; T57-F61 PolarHBondContact O-N 2.67Å
58V60.3Low60.5Low29 Ų2966.7 Ų66.718%0.17638%0.383CS..Hα-helixtrans-74.9-43.1176.9176.90000110.3Q54 P55 E56 N60 F61 V62 M73Q54-V58 HydrophobicContact CB-CB 4.26Å; Q54-V58 HydrophobicContact CB-CG1 4.08Å; Q54-V58 HydrophobicContact CG-CG1 4.38Å; P55-V58 HydrophobicContact CB-CG2 4.4Å; P55-V58 HydrophobicContact CG-CG2 4.37Å; P55-V58 WeakPolarHBondContact O-CA 3.42Å; P55-V58 WeakPolarHBondContact O-CB 3.4Å; P55-V58 PolarHBondContact O-N 2.88Å; E56-V58 VanDerWaalsContact C-N 3.28Å; E56-V58 PolarHBondContact O-N 2.85Å; V58-N60 VanDerWaalsContact C-N 3.31Å; V58-N60 PolarHBondContact O-N 2.73Å; V58-F61 PolarHBondContact O-N 3.2Å; V58-V62 WeakPolarHBondContact O-CG2 3.19Å; V58-V62 PolarHBondContact O-N 3.37Å; V58-M73 HydrophobicContact CG1-CE 3.15Å; V58-M73 HydrophobicContact CG1-SD 3.52Å; V58-M73 VanDerWaalsContact CG1-SD 3.52Å
59Q64.6Low60.8Low83 Ų8366.4 Ų66.439%0.38838%0.381SS..Hα-helixtrans-59.6-43.2174.5-61.7-174.633.600111.4V50 Q54 P55 E56 V62 S63V50-Q59 HydrophobicContact CG1-CG 4.46Å; Q54-Q59 PolarHBondContact O-NE2 2.76Å; P55-Q59 PolarHBondContact O-N 2.9Å; E56-Q59 PolarHBondContact O-N 3.38Å; Q59-V62 PolarHBondContact O-N 2.96Å; Q59-S63 PolarHBondContact O-N 3.46Å
60N59.8Low61.1Low94 Ų9465.5 Ų65.550%0.50337%0.37SS..Hα-helixtrans-69.5-35.8176.8-71.1-24.9000112.6E56 V58 S63 V64E56-N60 WeakPolarHBondContact O-CB 3.47Å; E56-N60 PolarHBondContact O-N 2.91Å; E56-N60 PolarHBondContact O-ND2 3.29Å; E56-N60 VanDerWaalsContact O-ND2 3.16Å; V58-N60 VanDerWaalsContact C-N 3.31Å; V58-N60 PolarHBondContact O-N 2.73Å; N60-S63 WeakPolarHBondContact CA-OG 3.23Å; N60-S63 PolarHBondContact O-N 3.28Å; N60-S63 PolarHBondContact O-OG 2.99Å; N60-V64 WeakPolarHBondContact O-CB 3.28Å; N60-V64 WeakPolarHBondContact O-CG2 3.36Å; N60-V64 PolarHBondContact O-N 3.42Å
61F60.5Low61.3Low48 Ų4869.6 Ų69.621%0.21139%0.386CS..Hα-helixtrans-64.4-40.9175.1-174.6-107.2000111.5T57 V58 V64 F65 A69 M257T57-F61 VanDerWaalsContact O-CB 3.29Å; T57-F61 WeakPolarHBondContact O-CB 3.31Å; T57-F61 PolarHBondContact O-N 2.67Å; V58-F61 PolarHBondContact O-N 3.2Å; F61-V64 PolarHBondContact O-N 2.93Å; F61-F65 AromaticContact CD2-CD2 3.34Å; F61-F65 HydrophobicContact CD2-CD2 3.34Å; F61-F65 AromaticContact CD2-CE2 3.56Å; F61-F65 HydrophobicContact CD2-CE2 3.56Å; F61-F65 HydrophobicContact CD2-CG 4.36Å; F61-F65 AromaticContact CE2-CD2 3.35Å; F61-F65 HydrophobicContact CE2-CD2 3.35Å; F61-F65 AromaticContact CE2-CE2 3.55Å; F61-F65 HydrophobicContact CE2-CE2 3.55Å; F61-F65 HydrophobicContact CE2-CG 4.04Å; F61-F65 HydrophobicContact CE2-CZ 4.35Å; F61-F65 HydrophobicContact CG-CD2 4.08Å; F61-F65 HydrophobicContact CZ-CD2 4.12Å; F61-F65 HydrophobicContact CZ-CG 4.42Å; F61-F65 WeakPolarHBondContact O-CB 3.5Å; F61-F65 WeakPolarHBondContact O-CD2 3.34Å; F61-F65 PolarHBondContact O-N 2.95Å; F61-A69 HydrophobicContact CD1-CB 3.42Å; F61-A69 VanDerWaalsContact CD1-CB 3.42Å; F61-A69 HydrophobicContact CE1-CB 3.32Å; F61-A69 HydrophobicContact CG-CB 4.33Å; F61-A69 HydrophobicContact CZ-CB 4.16Å; F61-M257 HydrophobicContact CD2-CE 4.24Å; F61-M257 HydrophobicContact CD2-SD 4.34Å; F61-M257 HydrophobicContact CE2-CE 4.07Å; F61-M257 HydrophobicContact CE2-SD 4.36Å
62V62.4Low61.6Low16 Ų1671.1 Ų71.110%0.09739%0.393CS..Hα-helixtrans-68.3-39.3175.4177.10000112.1V50 V58 Q59 V64 G66 A69 K70 M73V50-V62 HydrophobicContact CG2-CB 3.89Å; V50-V62 HydrophobicContact CG2-CG1 3.73Å; V50-V62 HydrophobicContact CG2-CG2 3.76Å; V58-V62 WeakPolarHBondContact O-CG2 3.19Å; V58-V62 PolarHBondContact O-N 3.37Å; Q59-V62 PolarHBondContact O-N 2.96Å; V62-V64 VanDerWaalsContact C-N 3.27Å; V62-V64 PolarHBondContact O-N 3.11Å; V62-G66 WeakPolarHBondContact O-CA 3.34Å; V62-G66 PolarHBondContact O-N 3.44Å; V62-A69 HydrophobicContact CG2-CB 4.35Å; V62-K70 HydrophobicContact CG1-CD 4.46Å; V62-K70 HydrophobicContact CG1-CG 3.87Å; V62-M73 HydrophobicContact CG2-CE 4.09Å; V62-M73 HydrophobicContact CG2-SD 3.1Å; V62-M73 WeakPolarHBondContact CG2-SD 3.36Å
63S60.7Low62Low89 Ų8967.9 Ų67.962%0.62237%0.371SS*.Hα-helixtrans-65.5-31.4178.4720000112.6Q59 N60Q59-S63 PolarHBondContact O-N 3.46Å; N60-S63 WeakPolarHBondContact CA-OG 3.23Å; N60-S63 PolarHBondContact O-N 3.28Å; N60-S63 PolarHBondContact O-OG 2.99Å
64V54.6Low62.4Low104 Ų10469.4 Ų69.463%0.6337%0.374SS*.Hα-helixtrans-86.5-40.5-179.2174.80000113.1N60 F61 V62N60-V64 WeakPolarHBondContact O-CB 3.28Å; N60-V64 WeakPolarHBondContact O-CG2 3.36Å; N60-V64 PolarHBondContact O-N 3.42Å; F61-V64 PolarHBondContact O-N 2.93Å; V62-V64 VanDerWaalsContact C-N 3.27Å; V62-V64 PolarHBondContact O-N 3.11Å
65F53.5Low62.7Low117 Ų11773.2 Ų73.251%0.51339%0.39SS..Hα-helixtrans-109.11.7-170.5-64.9-82.6000114.3F61 T67 V68 A69F61-F65 AromaticContact CD2-CD2 3.34Å; F61-F65 HydrophobicContact CD2-CD2 3.34Å; F61-F65 AromaticContact CD2-CE2 3.56Å; F61-F65 HydrophobicContact CD2-CE2 3.56Å; F61-F65 HydrophobicContact CD2-CG 4.36Å; F61-F65 AromaticContact CE2-CD2 3.35Å; F61-F65 HydrophobicContact CE2-CD2 3.35Å; F61-F65 AromaticContact CE2-CE2 3.55Å; F61-F65 HydrophobicContact CE2-CE2 3.55Å; F61-F65 HydrophobicContact CE2-CG 4.04Å; F61-F65 HydrophobicContact CE2-CZ 4.35Å; F61-F65 HydrophobicContact CG-CD2 4.08Å; F61-F65 HydrophobicContact CZ-CD2 4.12Å; F61-F65 HydrophobicContact CZ-CG 4.42Å; F61-F65 WeakPolarHBondContact O-CB 3.5Å; F61-F65 WeakPolarHBondContact O-CD2 3.34Å; F61-F65 PolarHBondContact O-N 2.95Å; F65-T67 PolarHBondContact O-N 3.41Å; F65-V68 PolarHBondContact O-N 3.33Å; F65-A69 HydrophobicContact CB-CB 3.69Å
66G64.9Low63.1Low33 Ų3370.5 Ų70.534%0.3437%0.371SS..Hα-helixtrans54.2-132.917000000114.1V62 V68 A69 K70V62-G66 WeakPolarHBondContact O-CA 3.34Å; V62-G66 PolarHBondContact O-N 3.44Å; G66-V68 VanDerWaalsContact C-N 3.26Å; G66-V68 PolarHBondContact O-N 3.21Å; G66-A69 PolarHBondContact O-N 3.27Å; G66-K70 PolarHBondContact O-N 3.43Å
67T63.2Low63.6Low93 Ų9364.1 Ų64.157%0.57134%0.342SS*.Hα-helixtrans-62.2-28.4-173.7-43.70000113.7F65 K70 K71F65-T67 PolarHBondContact O-N 3.41Å; T67-K70 PolarHBondContact O-N 3.47Å; T67-K71 WeakPolarHBondContact O-CG 3.46Å; T67-K71 PolarHBondContact O-N 3.2Å
68V64.5Low64.4Low101 Ų10160.3 Ų60.361%0.61232%0.32SS*.Hα-helixtrans-70.7-44178.7178.20000110.6F65 G66 K70 K71 L72F65-V68 PolarHBondContact O-N 3.33Å; G66-V68 VanDerWaalsContact C-N 3.26Å; G66-V68 PolarHBondContact O-N 3.21Å; V68-K70 VanDerWaalsContact C-N 3.34Å; V68-K70 PolarHBondContact O-N 3.3Å; V68-K71 PolarHBondContact O-N 3.38Å; V68-L72 HydrophobicContact CG1-CD1 4.33Å; V68-L72 WeakPolarHBondContact O-CG 3.05Å; V68-L72 PolarHBondContact O-N 3.04Å; V68-L72 VanDerWaalsContact O-N 3.11Å
69A64.3Low65.3Low0 Ų059 Ų590%031%0.312CS..Hα-helixtrans-61.5-41.4173.300000112.2F61 V62 F65 G66 L72 M73F61-A69 HydrophobicContact CD1-CB 3.42Å; F61-A69 VanDerWaalsContact CD1-CB 3.42Å; F61-A69 HydrophobicContact CE1-CB 3.32Å; F61-A69 HydrophobicContact CG-CB 4.33Å; F61-A69 HydrophobicContact CZ-CB 4.16Å; V62-A69 HydrophobicContact CG2-CB 4.35Å; F65-A69 HydrophobicContact CB-CB 3.69Å; G66-A69 PolarHBondContact O-N 3.27Å; A69-L72 PolarHBondContact O-N 3.41Å; A69-M73 WeakPolarHBondContact O-CB 3.45Å; A69-M73 WeakPolarHBondContact O-CG 3.47Å; A69-M73 PolarHBondContact O-N 3.03Å
70K64.3Low66.3Low49 Ų4955.2 Ų55.221%0.21329%0.294CS..Hα-helixtrans-60.5-45.4176-73-173.6163.1-163.10112.7E46 S48 V62 G66 T67 V68 L72 M73 R74E46-K70 PolarHBondContact O-NZ 2.93Å; S48-K70 PolarHBondContact O-NZ 3.15Å; V62-K70 HydrophobicContact CG1-CD 4.46Å; V62-K70 HydrophobicContact CG1-CG 3.87Å; G66-K70 PolarHBondContact O-N 3.43Å; T67-K70 PolarHBondContact O-N 3.47Å; V68-K70 VanDerWaalsContact C-N 3.34Å; V68-K70 PolarHBondContact O-N 3.3Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 3.48Å; K70-M73 PolarHBondContact O-N 3.04Å; K70-R74 PolarHBondContact O-N 2.93Å
71K66.9Low67.4Low119 Ų11954.4 Ų54.452%0.51729%0.293SS..Hα-helixtrans-63-36.6177.2-76.9-177177.7-1760112.8T67 V68T67-K71 WeakPolarHBondContact O-CG 3.46Å; T67-K71 PolarHBondContact O-N 3.2Å; V68-K71 PolarHBondContact O-N 3.38Å
72L66.8Low68.7Low35 Ų3553.8 Ų53.818%0.18329%0.291CS..Hα-helixtrans-68.7-51174.5-69.6170.9000110.9V68 A69 K70 R74 K75 W76 V260V68-L72 HydrophobicContact CG1-CD1 4.33Å; V68-L72 WeakPolarHBondContact O-CG 3.05Å; V68-L72 PolarHBondContact O-N 3.04Å; V68-L72 VanDerWaalsContact O-N 3.11Å; A69-L72 PolarHBondContact O-N 3.41Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 3.48Å; L72-R74 PolarHBondContact O-N 3.09Å; L72-K75 WeakPolarHBondContact O-CB 3.39Å; L72-K75 PolarHBondContact O-N 3.36Å; L72-W76 VanDerWaalsContact O-CD1 3.27Å; L72-W76 PolarHBondContact O-N 3.5Å; L72-V260 HydrophobicContact CD1-CG1 3.82Å; L72-V260 HydrophobicContact CD2-CG1 4.37Å; L72-V260 WeakPolarHBondContact CD2-O 3.26Å
73M65.8Low69.9Low13 Ų1355.7 Ų55.76%0.06430%0.301CS..Hα-helixtrans-56.1-38.6177.8-77.1179.35700112.7V50 V58 V62 A69 K70 K75 W76 L77V50-M73 HydrophobicContact CG1-CE 4.31Å; V58-M73 HydrophobicContact CG1-CE 3.15Å; V58-M73 HydrophobicContact CG1-SD 3.52Å; V58-M73 VanDerWaalsContact CG1-SD 3.52Å; V62-M73 HydrophobicContact CG2-CE 4.09Å; V62-M73 HydrophobicContact CG2-SD 3.1Å; V62-M73 WeakPolarHBondContact CG2-SD 3.36Å; A69-M73 WeakPolarHBondContact O-CB 3.45Å; A69-M73 WeakPolarHBondContact O-CG 3.47Å; A69-M73 PolarHBondContact O-N 3.03Å; K70-M73 PolarHBondContact O-N 3.04Å; M73-K75 VanDerWaalsContact C-N 3.28Å; M73-K75 PolarHBondContact O-N 3.49Å; M73-W76 CarbonylContact O-C 3.51Å; M73-W76 WeakPolarHBondContact O-CA 3.14Å; M73-W76 PolarHBondContact O-N 3.24Å; M73-L77 HydrophobicContact CB-CD1 4.16Å; M73-L77 HydrophobicContact CE-CD1 3.83Å; M73-L77 WeakPolarHBondContact O-CB 3.22Å; M73-L77 VanDerWaalsContact O-CG 3.3Å; M73-L77 WeakPolarHBondContact O-CG 3.5Å; M73-L77 PolarHBondContact O-N 2.99Å
74R68.9Low71.3Confident89 Ų8951.4 Ų51.434%0.33627%0.271SS..Hα-helixtrans-53-45.5174.9-177.7178.9177.21692.8112.5I44 E46 K70 L72 W76 L77 A78I44-R74 HydrophobicContact CB-CG 4.22Å; I44-R74 HydrophobicContact CD1-CG 4.1Å; I44-R74 HydrophobicContact CG2-CG 4.31Å; E46-R74 IonicContact OE1-NH1 3.29Å; E46-R74 PolarHBondContact OE1-NH1 3.02Å; K70-R74 PolarHBondContact O-N 2.93Å; L72-R74 PolarHBondContact O-N 3.09Å; R74-W76 PolarHBondContact O-N 3.32Å; R74-L77 PolarHBondContact O-N 3.41Å; R74-A78 VanDerWaalsContact O-CB 3.31Å; R74-A78 WeakPolarHBondContact O-CB 3.28Å; R74-A78 PolarHBondContact O-N 3.09Å
75K67.8Low73Confident110 Ų11049 Ų4948%0.47826%0.257SS..Hα-helixtrans-66-21.2178.8-65.5-172.3176.8-171.60113.3L72 M73 G263 L264L72-K75 WeakPolarHBondContact O-CB 3.39Å; L72-K75 PolarHBondContact O-N 3.36Å; M73-K75 VanDerWaalsContact C-N 3.28Å; M73-K75 PolarHBondContact O-N 3.49Å; K75-G263 WeakPolarHBondContact O-CA 3.26Å; K75-L264 PolarHBondContact O-N 3.25Å
76W70.4Confident74.9Confident12 Ų1245.8 Ų45.85%0.04525%0.249CC..Hα-helixtrans-98.5-21.4-179.2-74.698.8000113.6L72 M73 R74 P251 T255 V256 G259 S262 L264 T267 I268L72-W76 VanDerWaalsContact O-CD1 3.27Å; L72-W76 PolarHBondContact O-N 3.5Å; M73-W76 CarbonylContact O-C 3.51Å; M73-W76 WeakPolarHBondContact O-CA 3.14Å; M73-W76 PolarHBondContact O-N 3.24Å; R74-W76 PolarHBondContact O-N 3.32Å; W76-P251 HydrophobicContact CE3-CB 4.14Å; W76-P251 HydrophobicContact CE3-CG 4.35Å; W76-P251 HydrophobicContact CZ3-CB 3.99Å; W76-T255 HydrophobicContact CH2-CG2 4.18Å; W76-T255 HydrophobicContact CZ3-CG2 4.31Å; W76-V256 HydrophobicContact CB-CG1 4.18Å; W76-V256 HydrophobicContact CB-CG2 4.46Å; W76-V256 HydrophobicContact CD2-CB 4.24Å; W76-V256 HydrophobicContact CD2-CG1 4.08Å; W76-V256 HydrophobicContact CD2-CG2 3.99Å; W76-V256 HydrophobicContact CE3-CB 4.45Å; W76-V256 HydrophobicContact CE3-CG2 3.8Å; W76-V256 HydrophobicContact CG-CB 4.45Å; W76-V256 HydrophobicContact CG-CG1 3.8Å; W76-V256 HydrophobicContact CG-CG2 4.29Å; W76-V256 HydrophobicContact CZ3-CG2 4.39Å; W76-G259 PolarHBondContact NE1-O 3.01Å; W76-S262 WeakPolarHBondContact CZ2-O 3.26Å; W76-S262 PolarHBondContact NE1-O 3.12Å; W76-S262 VanDerWaalsContact NE1-O 3.14Å; W76-L264 HydrophobicContact CE3-CB 4.4Å; W76-T267 HydrophobicContact CH2-CG2 3.96Å; W76-I268 HydrophobicContact CZ3-CD1 4.18Å
77L71.9Confident76.4Confident16 Ų1644.2 Ų44.28%0.08423%0.233CC..Hα-helixtrans-99-27.2-178.9-68.1174.5000113.1I44 M73 R74 T79 H114 L116I44-L77 HydrophobicContact CD1-CB 3.98Å; M73-L77 HydrophobicContact CB-CD1 4.16Å; M73-L77 HydrophobicContact CE-CD1 3.83Å; M73-L77 WeakPolarHBondContact O-CB 3.22Å; M73-L77 VanDerWaalsContact O-CG 3.3Å; M73-L77 WeakPolarHBondContact O-CG 3.5Å; M73-L77 PolarHBondContact O-N 2.99Å; R74-L77 PolarHBondContact O-N 3.41Å; L77-T79 PolarHBondContact O-N 2.85Å; L77-H114 PolarHBondContact O-ND1 2.81Å; L77-L116 HydrophobicContact CD1-CD1 3.72Å; L77-L116 HydrophobicContact CD1-CG 3.86Å
78A76.9Confident78Confident17 Ų1739.8 Ų39.814%0.1421%0.205CC..  trans-67.8123.2173.600000109.5S41 I44 R74 F297S41-A78 WeakPolarHBondContact O-CA 3.45Å; I44-A78 HydrophobicContact CD1-CB 4.37Å; R74-A78 VanDerWaalsContact O-CB 3.31Å; R74-A78 WeakPolarHBondContact O-CB 3.28Å; R74-A78 PolarHBondContact O-N 3.09Å; A78-F297 WeakPolarHBondContact O-CZ 3.38Å
79T78.7Confident79.5Confident2 Ų238.7 Ų38.71%0.01219%0.193CC..  trans-107.6-14.9174.563.10000111.9H37 D38 S41 L77 L264 D296 F297H37-T79 PolarHBondContact O-OG1 3.2Å; D38-T79 HydrophobicContact CB-CG2 3.98Å; D38-T79 WeakPolarHBondContact CB-OG1 3.2Å; D38-T79 PolarHBondContact O-OG1 3.13Å; S41-T79 WeakPolarHBondContact OG-CA 3.47Å; S41-T79 WeakPolarHBondContact OG-CB 3.29Å; S41-T79 PolarHBondContact OG-N 2.99Å; S41-T79 PolarHBondContact OG-OG1 3.01Å; L77-T79 PolarHBondContact O-N 2.85Å; T79-L264 HydrophobicContact CG2-CD2 4.14Å; T79-D296 VanDerWaalsContact CB-OD1 3.25Å; T79-D296 WeakPolarHBondContact CB-OD1 3.36Å; T79-D296 CarbonylContact O-C 3.48Å; T79-D296 WeakPolarHBondContact O-CA 3.25Å; T79-F297 PolarHBondContact O-N 3.16Å
80Q84.6Confident81.1Confident2 Ų240 Ų401%0.00920%0.204CC..  trans-131154177-55-55.6-29.800111.1H37 S41 F42 A295H37-Q80 PolarHBondContact O-NE2 3Å; S41-Q80 PolarHBondContact OG-N 3.34Å; F42-Q80 WeakPolarHBondContact CA-O 3.42Å; F42-Q80 HydrophobicContact CB-CB 4.29Å; F42-Q80 VanDerWaalsContact CB-O 3.24Å; F42-Q80 WeakPolarHBondContact CB-O 3.42Å; Q80-A295 PolarHBondContact NE2-O 3.39Å
81T83.7Confident82.7Confident78 Ų7837.7 Ų37.748%0.47919%0.194SC..SBendtrans-108.8-17.6168.961.80000113F297 E299T81-F297 HydrophobicContact CG2-CD1 3.99Å; T81-F297 HydrophobicContact CG2-CE1 4.17Å; T81-E299 PolarHBondContact OG1-OE1 3.33Å; T81-E299 PolarHBondContact OG1-OE2 2.89Å
82M86.8Confident84.2Confident35 Ų3532 Ų3217%0.17217%0.17CC..SBendtrans-95.7143.1-174.7-62.9174.875.300111.4F42 S86 Q87 A90 V298 E299F42-M82 WeakPolarHBondContact CD1-O 3.17Å; M82-S86 VanDerWaalsContact CE-C 3.41Å; M82-S86 WeakPolarHBondContact CE-O 3.25Å; M82-Q87 HydrophobicContact CB-CG 3.62Å; M82-Q87 PolarHBondContact O-NE2 3.47Å; M82-A90 HydrophobicContact CE-CB 3.73Å; M82-V298 HydrophobicContact SD-CG2 4.26Å; M82-E299 HydrophobicContact SD-CB 3.85Å
83N87.8Confident85.7Confident55 Ų5530.3 Ų30.329%0.29416%0.161SC..  trans-78.7174.4169.967.49.7000112.2F42 T85 S86 Q87F42-N83 HydrophobicContact CD2-CB 4.43Å; F42-N83 VanDerWaalsContact CE1-CA 3.48Å; F42-N83 HydrophobicContact CE1-CB 3.92Å; F42-N83 HydrophobicContact CE2-CB 3.78Å; F42-N83 HydrophobicContact CZ-CB 3.49Å; F42-N83 VanDerWaalsContact CZ-CB 3.49Å; N83-T85 PolarHBondContact O-N 2.91Å; N83-S86 PolarHBondContact O-N 3.14Å; N83-S86 VanDerWaalsContact OD1-CB 3.25Å; N83-S86 WeakPolarHBondContact OD1-CB 3.49Å; N83-S86 PolarHBondContact OD1-N 2.72Å; N83-S86 PolarHBondContact OD1-OG 3.24Å; N83-Q87 WeakPolarHBondContact O-CB 3.36Å; N83-Q87 WeakPolarHBondContact O-CG 3.48Å; N83-Q87 PolarHBondContact O-N 2.76Å
84F90Very high87.2Confident0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-54.8-50.6-179.6-80.3-61.3000112.2F40 S86 Q87 L88 F95 L97 F112 G124 Q127 I128F40-F84 HydrophobicContact CB-CZ 4.33Å; F40-F84 AromaticContact CD2-CD2 3.44Å; F40-F84 HydrophobicContact CD2-CD2 3.44Å; F40-F84 VanDerWaalsContact CD2-CD2 3.44Å; F40-F84 HydrophobicContact CD2-CE1 4.3Å; F40-F84 AromaticContact CD2-CE2 2.97Å; F40-F84 HydrophobicContact CD2-CE2 2.97Å; F40-F84 HydrophobicContact CD2-CG 4.26Å; F40-F84 AromaticContact CD2-CZ 3.47Å; F40-F84 HydrophobicContact CD2-CZ 3.47Å; F40-F84 VanDerWaalsContact CD2-CZ 3.47Å; F40-F84 AromaticContact CE2-CD2 3.26Å; F40-F84 HydrophobicContact CE2-CD2 3.26Å; F40-F84 AromaticContact CE2-CE2 3.18Å; F40-F84 HydrophobicContact CE2-CE2 3.18Å; F40-F84 HydrophobicContact CE2-CG 4.28Å; F40-F84 HydrophobicContact CE2-CZ 4.14Å; F40-F84 AromaticContact CG-CE2 3.93Å; F40-F84 HydrophobicContact CG-CE2 3.93Å; F40-F84 HydrophobicContact CG-CZ 4.18Å; F40-F84 HydrophobicContact CZ-CD2 4.41Å; F40-F84 HydrophobicContact CZ-CE2 4.22Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-S86 PolarHBondContact O-N 2.86Å; F84-Q87 PolarHBondContact O-N 3.35Å; F84-L88 WeakPolarHBondContact O-CB 3.48Å; F84-L88 WeakPolarHBondContact O-CD1 3.44Å; F84-L88 WeakPolarHBondContact O-CG 3.3Å; F84-L88 PolarHBondContact O-N 2.86Å; F84-F95 AromaticContact CD1-CD1 3.66Å; F84-F95 HydrophobicContact CD1-CD1 3.66Å; F84-F95 AromaticContact CD1-CE1 3.55Å; F84-F95 HydrophobicContact CD1-CE1 3.55Å; F84-F95 HydrophobicContact CD1-CE2 4.46Å; F84-F95 HydrophobicContact CD1-CG 4.16Å; F84-F95 AromaticContact CD1-CZ 3.99Å; F84-F95 HydrophobicContact CD1-CZ 3.99Å; F84-F95 HydrophobicContact CE1-CB 4.2Å; F84-F95 AromaticContact CE1-CD1 3.5Å; F84-F95 HydrophobicContact CE1-CD1 3.5Å; F84-F95 HydrophobicContact CE1-CD2 4.4Å; F84-F95 AromaticContact CE1-CE1 3.93Å; F84-F95 HydrophobicContact CE1-CE1 3.93Å; F84-F95 AromaticContact CE1-CG 3.76Å; F84-F95 HydrophobicContact CE1-CG 3.76Å; F84-L97 HydrophobicContact CE1-CD2 4.07Å; F84-L97 HydrophobicContact CZ-CD2 3.75Å; F84-F112 HydrophobicContact CE2-CD2 4.42Å; F84-F112 AromaticContact CE2-CE2 3.7Å; F84-F112 HydrophobicContact CE2-CE2 3.7Å; F84-F112 AromaticContact CE2-CZ 3.88Å; F84-F112 HydrophobicContact CE2-CZ 3.88Å; F84-F112 HydrophobicContact CZ-CE1 4.42Å; F84-F112 HydrophobicContact CZ-CE2 4.17Å; F84-F112 AromaticContact CZ-CZ 3.95Å; F84-F112 HydrophobicContact CZ-CZ 3.95Å; F84-G124 VanDerWaalsContact CD2-CA 3.48Å; F84-G124 VanDerWaalsContact CE2-CA 3.5Å; F84-Q127 HydrophobicContact CB-CB 4.11Å; F84-I128 HydrophobicContact CB-CG1 4.29Å; F84-I128 HydrophobicContact CD1-CD1 3.91Å; F84-I128 HydrophobicContact CD1-CG1 4.05Å; F84-I128 HydrophobicContact CD2-CD1 4.44Å; F84-I128 HydrophobicContact CE1-CD1 3.93Å; F84-I128 HydrophobicContact CE2-CD1 4.44Å; F84-I128 HydrophobicContact CG-CD1 4.2Å; F84-I128 HydrophobicContact CG-CG1 4.09Å; F84-I128 HydrophobicContact CZ-CD1 4.21Å
85T91.8Very high88.6Confident54 Ų5425.5 Ų25.533%0.33114%0.142SC..Hα-helixtrans-55-49.2179.3-55.50000111.3N83 Q87 L88 E89N83-T85 PolarHBondContact O-N 2.91Å; T85-Q87 PolarHBondContact O-N 3.42Å; T85-L88 PolarHBondContact O-N 3.43Å; T85-E89 HydrophobicContact CG2-CG 4.31Å; T85-E89 WeakPolarHBondContact O-CB 3.3Å; T85-E89 WeakPolarHBondContact O-CG 3.36Å; T85-E89 PolarHBondContact O-N 3.22Å
86S93.4Very high90Very high49 Ų4920.8 Ų20.834%0.34312%0.122SC..Hα-helixtrans-64.5-41-179.4-54.70000111.8M82 N83 F84 A90M82-S86 VanDerWaalsContact CE-C 3.41Å; M82-S86 WeakPolarHBondContact CE-O 3.25Å; N83-S86 PolarHBondContact O-N 3.14Å; N83-S86 VanDerWaalsContact OD1-CB 3.25Å; N83-S86 WeakPolarHBondContact OD1-CB 3.49Å; N83-S86 PolarHBondContact OD1-N 2.72Å; N83-S86 PolarHBondContact OD1-OG 3.24Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-S86 PolarHBondContact O-N 2.86Å; S86-A90 VanDerWaalsContact O-CB 3.26Å; S86-A90 WeakPolarHBondContact O-CB 3.33Å; S86-A90 PolarHBondContact O-N 3.08Å
87Q95.5Very high91.2Very high0 Ų020.2 Ų20.20%012%0.12CC..Hα-helixtrans-62.4-44.2176.9-72.8-177.952.800111S36 S39 M82 N83 F84 T85 A90 G91 I92 F95 V298S36-Q87 PolarHBondContact OG-OE1 3.29Å; S39-Q87 PolarHBondContact O-NE2 2.8Å; M82-Q87 HydrophobicContact CB-CG 3.62Å; M82-Q87 PolarHBondContact O-NE2 3.47Å; N83-Q87 WeakPolarHBondContact O-CB 3.36Å; N83-Q87 WeakPolarHBondContact O-CG 3.48Å; N83-Q87 PolarHBondContact O-N 2.76Å; F84-Q87 PolarHBondContact O-N 3.35Å; T85-Q87 PolarHBondContact O-N 3.42Å; Q87-A90 PolarHBondContact O-N 3.2Å; Q87-G91 PolarHBondContact O-N 2.95Å; Q87-G91 VanDerWaalsContact O-N 3.13Å; Q87-I92 HydrophobicContact CB-CB 3.97Å; Q87-I92 HydrophobicContact CB-CG1 3.94Å; Q87-I92 HydrophobicContact CB-CG2 4.43Å; Q87-I92 HydrophobicContact CG-CG1 4.48Å; Q87-I92 VanDerWaalsContact O-CB 3.28Å; Q87-I92 WeakPolarHBondContact O-CB 3.27Å; Q87-I92 WeakPolarHBondContact O-CG1 3.36Å; Q87-I92 PolarHBondContact O-N 2.92Å; Q87-F95 HydrophobicContact CB-CE1 4.02Å; Q87-V298 HydrophobicContact CG-CG2 4.41Å
88L97.3Very high92.3Very high0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-63.2-48.3177.8-70.7163.1000111.9F84 T85 A90 G91 R93 F95 I128 F131 V140F84-L88 WeakPolarHBondContact O-CB 3.48Å; F84-L88 WeakPolarHBondContact O-CD1 3.44Å; F84-L88 WeakPolarHBondContact O-CG 3.3Å; F84-L88 PolarHBondContact O-N 2.86Å; T85-L88 PolarHBondContact O-N 3.43Å; L88-A90 PolarHBondContact O-N 3.22Å; L88-G91 PolarHBondContact O-N 3.43Å; L88-R93 PolarHBondContact O-NH1 3.45Å; L88-F95 HydrophobicContact CD2-CE2 3.64Å; L88-F95 HydrophobicContact CD2-CZ 3.57Å; L88-F95 HydrophobicContact CG-CE2 4.28Å; L88-F95 HydrophobicContact CG-CZ 3.77Å; L88-I128 HydrophobicContact CD1-CB 4.46Å; L88-I128 HydrophobicContact CD1-CG1 4.13Å; L88-F131 HydrophobicContact CB-CB 4.5Å; L88-F131 HydrophobicContact CB-CD1 3.94Å; L88-F131 HydrophobicContact CB-CD2 3.65Å; L88-F131 HydrophobicContact CB-CE1 4.07Å; L88-F131 HydrophobicContact CB-CE2 3.77Å; L88-F131 HydrophobicContact CB-CG 3.75Å; L88-F131 HydrophobicContact CB-CZ 3.99Å; L88-F131 HydrophobicContact CD1-CB 3.67Å; L88-F131 HydrophobicContact CD1-CD1 3.91Å; L88-F131 HydrophobicContact CD1-CD2 4.4Å; L88-F131 HydrophobicContact CD1-CG 3.73Å; L88-F131 HydrophobicContact CD2-CD1 3.82Å; L88-F131 HydrophobicContact CD2-CE1 3.97Å; L88-F131 HydrophobicContact CD2-CG 4.38Å; L88-F131 HydrophobicContact CG-CD1 4.11Å; L88-F131 HydrophobicContact CG-CE1 4.47Å; L88-F131 HydrophobicContact CG-CG 4.15Å; L88-V140 HydrophobicContact CD2-CG1 3.7Å
89E96.9Very high93.1Very high77 Ų7720.6 Ų20.636%0.3612%0.116SC..Hα-helixtrans-59.8-35.5176.5-71.3-69.8163.700112A13 T85 G91 H135A13-E89 WeakPolarHBondContact CB-OE2 3.4Å; A13-E89 PolarHBondContact N-O 3.07Å; A13-E89 VanDerWaalsContact N-O 3.15Å; T85-E89 HydrophobicContact CG2-CG 4.31Å; T85-E89 WeakPolarHBondContact O-CB 3.3Å; T85-E89 WeakPolarHBondContact O-CG 3.36Å; T85-E89 PolarHBondContact O-N 3.22Å; E89-G91 VanDerWaalsContact C-N 3.29Å; E89-G91 PolarHBondContact O-N 3.01Å; E89-H135 IonicContact OE1-NE2 3.4Å
90A96.1Very high93.7Very high28 Ų2820.5 Ų20.523%0.23112%0.116CC..Hα-helixtrans-77.8-12.717700000113.8F12 M82 S86 Q87 L88 I304F12-A90 WeakPolarHBondContact CB-O 3.4Å; M82-A90 HydrophobicContact CE-CB 3.73Å; S86-A90 VanDerWaalsContact O-CB 3.26Å; S86-A90 WeakPolarHBondContact O-CB 3.33Å; S86-A90 PolarHBondContact O-N 3.08Å; Q87-A90 PolarHBondContact O-N 3.2Å; L88-A90 PolarHBondContact O-N 3.22Å; A90-I304 HydrophobicContact CB-CD1 3.63Å; A90-I304 WeakPolarHBondContact O-CG2 3.38Å
91G97.9Very high93.9Very high0 Ų021.4 Ų21.40%012%0.122CC..THydrogen-bonded Turntrans117-0.4172.400000116W15 P34 Q87 L88 E89 R93W15-G91 PolarHBondContact NE1-O 3.17Å; P34-G91 VanDerWaalsContact CG-O 3.22Å; P34-G91 WeakPolarHBondContact CG-O 3.44Å; Q87-G91 PolarHBondContact O-N 2.95Å; Q87-G91 VanDerWaalsContact O-N 3.13Å; L88-G91 PolarHBondContact O-N 3.43Å; E89-G91 VanDerWaalsContact C-N 3.29Å; E89-G91 PolarHBondContact O-N 3.01Å; G91-R93 PolarHBondContact O-N 2.94Å
92I98.3Very high93.9Very high0 Ų019.7 Ų19.70%011%0.108CC..  trans-62.6134.5175.9-61.6-69000110.1P34 Q87 F94 F95 V298 F303 I304P34-I92 HydrophobicContact CB-CD1 4.15Å; Q87-I92 HydrophobicContact CB-CB 3.97Å; Q87-I92 HydrophobicContact CB-CG1 3.94Å; Q87-I92 HydrophobicContact CB-CG2 4.43Å; Q87-I92 HydrophobicContact CG-CG1 4.48Å; Q87-I92 VanDerWaalsContact O-CB 3.28Å; Q87-I92 WeakPolarHBondContact O-CB 3.27Å; Q87-I92 WeakPolarHBondContact O-CG1 3.36Å; Q87-I92 PolarHBondContact O-N 2.92Å; I92-F94 WeakPolarHBondContact CG2-O 3.49Å; I92-F95 HydrophobicContact CB-CE1 4.36Å; I92-F95 HydrophobicContact CB-CZ 4.34Å; I92-F95 HydrophobicContact CG2-CD1 4.07Å; I92-F95 HydrophobicContact CG2-CE1 3.52Å; I92-F95 HydrophobicContact CG2-CE2 4.4Å; I92-F95 HydrophobicContact CG2-CZ 3.7Å; I92-V298 HydrophobicContact CD1-CB 3.88Å; I92-V298 HydrophobicContact CD1-CG1 3.85Å; I92-V298 HydrophobicContact CD1-CG2 3.97Å; I92-V298 HydrophobicContact CG1-CG2 4.06Å; I92-F303 HydrophobicContact CD1-CE1 4.29Å; I92-I304 HydrophobicContact CD1-CD1 4.19Å; I92-I304 HydrophobicContact CD1-CG1 3.99Å; I92-I304 HydrophobicContact CG1-CD1 4.14Å; I92-I304 HydrophobicContact CG1-CG1 4.46Å
93R98.7Very high93.5Very high0 Ų022.5 Ų22.50%013%0.128CC..  trans-128.7-8.8176.9-65.7-67.2177.2-90.6-3.7113.6F12 A13 W15 M16 I33 P34 L88 G91 E138 V139 V140 F141F12-R93 PolarHBondContact O-NH2 3.39Å; A13-R93 PolarHBondContact O-NH2 3.16Å; W15-R93 HydrophobicContact CZ2-CG 4.09Å; M16-R93 HydrophobicContact CE-CB 3.88Å; M16-R93 HydrophobicContact CE-CG 3.74Å; M16-R93 HydrophobicContact SD-CG 4.13Å; I33-R93 HydrophobicContact CG2-CB 3.89Å; P34-R93 PolarHBondContact O-N 3.15Å; L88-R93 PolarHBondContact O-NH1 3.45Å; G91-R93 PolarHBondContact O-N 2.94Å; R93-E138 IonicContact CZ-OE2 4Å; R93-E138 IonicContact NE-OE2 3Å; R93-E138 PolarHBondContact NE-OE2 3.44Å; R93-E138 IonicContact NH2-OE2 3.33Å; R93-E138 PolarHBondContact NH2-OE2 2.92Å; R93-V139 WeakPolarHBondContact CB-O 3.45Å; R93-V139 VanDerWaalsContact CD-O 3.25Å; R93-V139 WeakPolarHBondContact CD-O 3.46Å; R93-V140 CarbonylContact O-C 3.59Å; R93-V140 VanDerWaalsContact O-CA 3.27Å; R93-V140 WeakPolarHBondContact O-CA 3.45Å; R93-F141 PolarHBondContact O-N 3.27Å
94F98.8Very high93Very high1 Ų131.7 Ų31.70%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-116133.8173.4175.5-81.5000111.1I33 P34 G35 S36 I92 D96 F141 D143 M212 V244 I292 T294I33-F94 HydrophobicContact CG2-CB 4.43Å; P34-F94 PolarHBondContact O-N 3.47Å; G35-F94 WeakPolarHBondContact CA-O 3.38Å; S36-F94 PolarHBondContact N-O 2.97Å; I92-F94 WeakPolarHBondContact CG2-O 3.49Å; F94-D96 HydrophobicContact CE1-CB 4.13Å; F94-F141 HydrophobicContact CB-CB 4.16Å; F94-F141 HydrophobicContact CD2-CB 3.53Å; F94-F141 HydrophobicContact CD2-CG 4.29Å; F94-F141 HydrophobicContact CE2-CB 4.37Å; F94-F141 HydrophobicContact CG-CB 4.24Å; F94-D143 HydrophobicContact CE1-CB 4.41Å; F94-D143 HydrophobicContact CE2-CB 3.74Å; F94-D143 HydrophobicContact CZ-CB 3.5Å; F94-D143 VanDerWaalsContact CZ-CB 3.5Å; F94-M212 HydrophobicContact CD2-CE 4.4Å; F94-M212 HydrophobicContact CE2-CE 3.93Å; F94-M212 HydrophobicContact CE2-CG 4.05Å; F94-M212 HydrophobicContact CE2-SD 3.83Å; F94-M212 HydrophobicContact CZ-CG 4.44Å; F94-V244 HydrophobicContact CE1-CG2 4.38Å; F94-V244 HydrophobicContact CE2-CG2 3.94Å; F94-V244 HydrophobicContact CZ-CG2 3.74Å; F94-I292 HydrophobicContact CB-CG2 3.7Å; F94-I292 HydrophobicContact CD1-CG2 3.79Å; F94-I292 HydrophobicContact CD2-CD1 3.61Å; F94-I292 HydrophobicContact CD2-CG1 4.21Å; F94-I292 HydrophobicContact CD2-CG2 3.79Å; F94-I292 HydrophobicContact CE1-CG2 4.36Å; F94-I292 HydrophobicContact CE2-CD1 4.03Å; F94-I292 HydrophobicContact CE2-CG2 4.37Å; F94-I292 HydrophobicContact CG-CD1 4.39Å; F94-I292 HydrophobicContact CG-CG2 3.47Å; F94-I292 VanDerWaalsContact CG-CG2 3.47Å; F94-T294 HydrophobicContact CD1-CG2 3.57Å; F94-T294 HydrophobicContact CE1-CG2 3.65Å
95F98.1Very high92.5Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-125121.6177.6-58.6-78.5000111.2S39 F84 Q87 L88 I92 L97 V140 F141 L142 D143S39-F95 WeakPolarHBondContact OG-CA 3.33Å; S39-F95 WeakPolarHBondContact OG-CB 3.45Å; F84-F95 AromaticContact CD1-CD1 3.66Å; F84-F95 HydrophobicContact CD1-CD1 3.66Å; F84-F95 AromaticContact CD1-CE1 3.55Å; F84-F95 HydrophobicContact CD1-CE1 3.55Å; F84-F95 HydrophobicContact CD1-CE2 4.46Å; F84-F95 HydrophobicContact CD1-CG 4.16Å; F84-F95 AromaticContact CD1-CZ 3.99Å; F84-F95 HydrophobicContact CD1-CZ 3.99Å; F84-F95 HydrophobicContact CE1-CB 4.2Å; F84-F95 AromaticContact CE1-CD1 3.5Å; F84-F95 HydrophobicContact CE1-CD1 3.5Å; F84-F95 HydrophobicContact CE1-CD2 4.4Å; F84-F95 AromaticContact CE1-CE1 3.93Å; F84-F95 HydrophobicContact CE1-CE1 3.93Å; F84-F95 AromaticContact CE1-CG 3.76Å; F84-F95 HydrophobicContact CE1-CG 3.76Å; Q87-F95 HydrophobicContact CB-CE1 4.02Å; L88-F95 HydrophobicContact CD2-CE2 3.64Å; L88-F95 HydrophobicContact CD2-CZ 3.57Å; L88-F95 HydrophobicContact CG-CE2 4.28Å; L88-F95 HydrophobicContact CG-CZ 3.77Å; I92-F95 HydrophobicContact CB-CE1 4.36Å; I92-F95 HydrophobicContact CB-CZ 4.34Å; I92-F95 HydrophobicContact CG2-CD1 4.07Å; I92-F95 HydrophobicContact CG2-CE1 3.52Å; I92-F95 HydrophobicContact CG2-CE2 4.4Å; I92-F95 HydrophobicContact CG2-CZ 3.7Å; F95-L97 HydrophobicContact CB-CD2 3.8Å; F95-L97 HydrophobicContact CB-CG 4.15Å; F95-V140 HydrophobicContact CE2-CG1 4.32Å; F95-F141 PolarHBondContact N-O 2.96Å; F95-L142 HydrophobicContact CB-CD2 4.44Å; F95-L142 HydrophobicContact CD2-CD2 3.86Å; F95-D143 PolarHBondContact O-N 3.28Å
96D96.9Very high92Very high10 Ų1035.4 Ų35.45%0.05318%0.183CC..EExtended strand (participates in β ladder)trans-83.1108.9168.1174.519.2000109.1S36 H37 D38 S39 F94 N145S36-D96 PolarHBondContact O-N 2.89Å; H37-D96 IonicContact CD2-OD2 3.38Å; H37-D96 PolarHBondContact CD2-OD2 2.76Å; H37-D96 IonicContact NE2-OD2 3.44Å; D38-D96 PolarHBondContact N-OD2 2.96Å; S39-D96 PolarHBondContact N-O 3.42Å; S39-D96 PolarHBondContact OG-N 3.16Å; S39-D96 PolarHBondContact OG-O 3.15Å; F94-D96 HydrophobicContact CE1-CB 4.13Å; D96-N145 WeakPolarHBondContact OD1-CB 3.27Å
97L95.6Very high91.6Very high1 Ų138.7 Ų38.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-110.9124.6-171.5-54.4178.7000110.7F84 F95 I99 F112 L142 D143 F144 N145F84-L97 HydrophobicContact CE1-CD2 4.07Å; F84-L97 HydrophobicContact CZ-CD2 3.75Å; F95-L97 HydrophobicContact CB-CD2 3.8Å; F95-L97 HydrophobicContact CB-CG 4.15Å; L97-I99 HydrophobicContact CB-CD1 4.43Å; L97-F112 HydrophobicContact CB-CD1 4.46Å; L97-F112 HydrophobicContact CB-CE1 4.21Å; L97-F112 HydrophobicContact CD1-CE1 4.15Å; L97-F112 HydrophobicContact CD2-CD1 4.19Å; L97-F112 HydrophobicContact CD2-CE1 3.73Å; L97-F112 HydrophobicContact CD2-CZ 4.44Å; L97-F112 HydrophobicContact CG-CE1 4.25Å; L97-L142 HydrophobicContact CD1-CB 3.96Å; L97-L142 HydrophobicContact CD1-CD2 4.36Å; L97-D143 WeakPolarHBondContact CA-O 3.4Å; L97-D143 WeakPolarHBondContact CB-O 3.3Å; L97-D143 PolarHBondContact N-O 3.44Å; L97-F144 HydrophobicContact CB-CD1 4.25Å; L97-F144 HydrophobicContact CD1-CD1 4.26Å; L97-F144 HydrophobicContact CD1-CD2 4.29Å; L97-F144 HydrophobicContact CD1-CE1 3.93Å; L97-F144 HydrophobicContact CD1-CE2 3.95Å; L97-F144 HydrophobicContact CD1-CG 4.45Å; L97-F144 HydrophobicContact CD1-CZ 3.77Å; L97-F144 CarbonylContact O-C 3.51Å; L97-N145 PolarHBondContact O-N 2.98Å
98R93.9Very high91Very high40 Ų4042.7 Ų42.715%0.15122%0.218CC..EExtended strand (participates in β ladder)trans-114.9123.4174-61.4-161.7-175.7154.422.9109.5H37 D38 F112 A113 H114 H146 Y148H37-R98 PolarHBondContact NE2-NH2 3.21Å; D38-R98 WeakPolarHBondContact OD1-CD 3.41Å; D38-R98 IonicContact OD1-CZ 3.87Å; D38-R98 IonicContact OD1-NE 3.29Å; D38-R98 PolarHBondContact OD1-NE 3.08Å; D38-R98 IonicContact OD1-NH1 2.88Å; D38-R98 PolarHBondContact OD1-NH1 3.44Å; D38-R98 IonicContact OD1-NH2 3.94Å; D38-R98 PolarHBondContact OD1-NH2 2.98Å; D38-R98 IonicContact OD2-CZ 3.81Å; D38-R98 VanDerWaalsContact OD2-CZ 3.22Å; D38-R98 IonicContact OD2-NH1 2.67Å; D38-R98 PolarHBondContact OD2-NH1 3.21Å; D38-R98 IonicContact OD2-NH2 2.85Å; D38-R98 PolarHBondContact OD2-NH2 3.38Å; R98-F112 CarbonylContact O-C 3.57Å; R98-F112 VanDerWaalsContact O-CA 3.26Å; R98-F112 WeakPolarHBondContact O-CA 3.19Å; R98-A113 WeakPolarHBondContact CB-O 3.37Å; R98-A113 PolarHBondContact O-N 2.77Å; R98-H114 PolarHBondContact NH1-CD2 3.5Å; R98-H114 PolarHBondContact NH1-NE2 3.42Å; R98-H146 WeakPolarHBondContact CA-O 3.46Å; R98-H146 HydrophobicContact CB-CB 4.26Å; R98-H146 HydrophobicContact CG-CB 3.92Å; R98-Y148 HydrophobicContact CB-CE2 4.17Å
99I93.8Very high90.8Very high0 Ų044.7 Ų44.70%023%0.228CC..EExtended strand (participates in β ladder)trans-108.6137.4-171.9-48.3-56.4000110.3L97 L110 Y111 F112 V121 F144 H146 F147 Y148 V150 L158L97-I99 HydrophobicContact CB-CD1 4.43Å; I99-L110 HydrophobicContact CG2-CB 4.24Å; I99-L110 HydrophobicContact CG2-CD2 4.04Å; I99-Y111 CarbonylContact C-O 3.59Å; I99-Y111 WeakPolarHBondContact CA-O 3.47Å; I99-F112 HydrophobicContact CD1-CD1 3.67Å; I99-F112 HydrophobicContact CD1-CE1 3.75Å; I99-V121 HydrophobicContact CD1-CG2 3.71Å; I99-V121 HydrophobicContact CG2-CG2 4.12Å; I99-F144 HydrophobicContact CD1-CD1 3.61Å; I99-F144 HydrophobicContact CD1-CE1 3.65Å; I99-F144 HydrophobicContact CG1-CD1 3.53Å; I99-F144 HydrophobicContact CG1-CE1 4.02Å; I99-H146 PolarHBondContact N-O 2.85Å; I99-F147 HydrophobicContact CB-CD1 3.88Å; I99-F147 HydrophobicContact CB-CE1 4.24Å; I99-F147 HydrophobicContact CG1-CD1 4.14Å; I99-F147 HydrophobicContact CG1-CE1 4Å; I99-F147 CarbonylContact O-C 3.53Å; I99-F147 WeakPolarHBondContact O-CA 3.43Å; I99-Y148 PolarHBondContact O-N 2.84Å; I99-V150 HydrophobicContact CG2-CG2 4.24Å; I99-L158 HydrophobicContact CG1-CD2 4.3Å
100S91.4Very high90.7Very high1 Ų141 Ų411%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-140.8154174.9-167.80000112.8Y111 F117 Y148S100-Y111 PolarHBondContact N-O 3.37Å; S100-Y111 PolarHBondContact O-N 2.97Å; S100-F117 WeakPolarHBondContact OG-CE1 3.37Å; S100-Y148 VanDerWaalsContact CA-O 3.24Å; S100-Y148 WeakPolarHBondContact CA-O 3.18Å; S100-Y148 PolarHBondContact OG-O 2.98Å
101T90.1Very high90.5Very high21 Ų2141.1 Ų41.113%0.12921%0.205CC..EExtended strand (participates in β ladder)trans-99.4145.1165.557.10000109.6L110 F117 Y148 G149 V150T101-L110 HydrophobicContact CG2-CD2 3.97Å; T101-F117 WeakPolarHBondContact O-CE1 3.33Å; T101-Y148 PolarHBondContact N-O 3.26Å; T101-G149 VanDerWaalsContact OG1-C 3.27Å; T101-G149 PolarHBondContact OG1-O 3.04Å; T101-V150 HydrophobicContact CG2-CG2 4.47Å
102K83.4Confident90.1Very high41 Ų4141.2 Ų41.218%0.17821%0.206CC..PPolyproline II helixtrans-80.8135173.1-75.6177.1-171.1177.60109.8S48 R104 D105 Y111 F117S48-K102 WeakPolarHBondContact OG-CE 3.26Å; S48-K102 PolarHBondContact OG-NZ 3.22Å; K102-R104 PolarHBondContact O-N 3.43Å; K102-D105 HydrophobicContact CB-CB 3.96Å; K102-D105 WeakPolarHBondContact O-CB 3.33Å; K102-D105 PolarHBondContact O-N 2.99Å; K102-Y111 HydrophobicContact CB-CE2 4.15Å; K102-Y111 HydrophobicContact CD-CD2 4.07Å; K102-Y111 HydrophobicContact CD-CE1 4.17Å; K102-Y111 HydrophobicContact CD-CE2 3.6Å; K102-Y111 HydrophobicContact CG-CD2 3.85Å; K102-Y111 HydrophobicContact CG-CE2 3.7Å; K102-F117 HydrophobicContact CB-CE1 4.24Å; K102-F117 HydrophobicContact CB-CZ 4.37Å; K102-F117 HydrophobicContact CD-CD1 4.29Å; K102-F117 HydrophobicContact CD-CG 4.27Å; K102-F117 HydrophobicContact CG-CD1 3.43Å; K102-F117 VanDerWaalsContact CG-CD1 3.43Å; K102-F117 HydrophobicContact CG-CD2 4.08Å; K102-F117 HydrophobicContact CG-CE1 3.42Å; K102-F117 VanDerWaalsContact CG-CE1 3.42Å; K102-F117 HydrophobicContact CG-CE2 4.08Å; K102-F117 HydrophobicContact CG-CG 3.77Å; K102-F117 HydrophobicContact CG-CZ 3.76Å
103P76.9Confident89.3Confident94 Ų9441.6 Ų41.661%0.6121%0.209SC*.THydrogen-bonded Turntrans-57.8128.4173.5-24.333.3000111.1D105P103-D105 PolarHBondContact O-N 2.86Å
104R77.5Confident88Confident248 Ų24843.3 Ų43.394%0.93622%0.217SC*.THydrogen-bonded Turntrans62.224.7-179.9-48.6176.3-177.9172.60.5114.4K102 P106K102-R104 PolarHBondContact O-N 3.43Å; R104-P106 WeakPolarHBondContact O-CD 3.47Å
105D81Confident86.2Confident20 Ų2043.3 Ų43.311%0.10722%0.216CC..  trans-64.1117168.9-167.2-31000109.5K102 P103 D107 N108 Y111K102-D105 HydrophobicContact CB-CB 3.96Å; K102-D105 WeakPolarHBondContact O-CB 3.33Å; K102-D105 PolarHBondContact O-N 2.99Å; P103-D105 PolarHBondContact O-N 2.86Å; D105-D107 PolarHBondContact O-N 2.92Å; D105-D107 PolarHBondContact OD1-N 2.83Å; D105-N108 PolarHBondContact O-N 2.94Å; D105-Y111 WeakPolarHBondContact OD2-CE2 3.42Å; D105-Y111 PolarHBondContact OD2-OH 3.16Å
106P80.1Confident84.6Confident112 Ų11243.7 Ų43.773%0.72722%0.218SC*.THydrogen-bonded Turntrans-63.7-25.6-179.727.9-35.2000112.6R104R104-P106 WeakPolarHBondContact O-CD 3.47Å
107D84.6Confident83.3Confident119 Ų11943.3 Ų43.364%0.63622%0.216SC*.THydrogen-bonded Turntrans-94.7-2.7-173.9-59-41.5000112.4D105 E109 K157D105-D107 PolarHBondContact O-N 2.92Å; D105-D107 PolarHBondContact OD1-N 2.83Å; D107-E109 PolarHBondContact O-N 2.91Å; D107-K157 PolarHBondContact O-NZ 3.34Å
108N84.7Confident82.4Confident83 Ų8343.5 Ų43.544%0.44422%0.218SC..  trans45.247.1-173-68.7-66.8000111.1D105 K157D105-N108 PolarHBondContact O-N 2.94Å; N108-K157 PolarHBondContact O-NZ 3.03Å
109E92.9Very high82Confident43 Ų4342.7 Ų42.720%0.20122%0.219CC..  trans-78.5153.1-175.1-160.549.1-102.500112.1D107 Y111 T120 K157D107-E109 PolarHBondContact O-N 2.91Å; E109-Y111 HydrophobicContact CB-CE2 3.77Å; E109-Y111 HydrophobicContact CG-CE2 4.36Å; E109-Y111 WeakPolarHBondContact O-CE2 3.36Å; E109-T120 HydrophobicContact CG-CG2 4Å; E109-K157 IonicContact OE1-NZ 2.91Å; E109-K157 PolarHBondContact OE1-NZ 3.38Å; E109-K157 IonicContact OE2-NZ 3.03Å; E109-K157 PolarHBondContact OE2-NZ 2.9Å
110L94.3Very high81.9Confident0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-100.7130.5177.3-61.9173.9000109.8I99 T101 T120 V121 H154 L158I99-L110 HydrophobicContact CG2-CB 4.24Å; I99-L110 HydrophobicContact CG2-CD2 4.04Å; T101-L110 HydrophobicContact CG2-CD2 3.97Å; L110-T120 CarbonylContact O-C 3.51Å; L110-T120 WeakPolarHBondContact O-CA 3.46Å; L110-V121 HydrophobicContact CB-CB 4.05Å; L110-V121 HydrophobicContact CB-CG2 3.69Å; L110-V121 PolarHBondContact O-N 3.19Å; L110-H154 HydrophobicContact CD2-CB 4.06Å; L110-L158 HydrophobicContact CD1-CB 3.67Å; L110-L158 HydrophobicContact CD1-CD1 4.21Å; L110-L158 HydrophobicContact CD1-CG 4.35Å
111Y91.4Very high82.1Confident30 Ų3044 Ų4412%0.11823%0.227CC..EExtended strand (participates in β ladder)trans-122.1150.5178.4-56.4-92.2000109.7I99 S100 K102 D105 E109 F117 S118 T120I99-Y111 CarbonylContact C-O 3.59Å; I99-Y111 WeakPolarHBondContact CA-O 3.47Å; S100-Y111 PolarHBondContact N-O 3.37Å; S100-Y111 PolarHBondContact O-N 2.97Å; K102-Y111 HydrophobicContact CB-CE2 4.15Å; K102-Y111 HydrophobicContact CD-CD2 4.07Å; K102-Y111 HydrophobicContact CD-CE1 4.17Å; K102-Y111 HydrophobicContact CD-CE2 3.6Å; K102-Y111 HydrophobicContact CG-CD2 3.85Å; K102-Y111 HydrophobicContact CG-CE2 3.7Å; D105-Y111 WeakPolarHBondContact OD2-CE2 3.42Å; D105-Y111 PolarHBondContact OD2-OH 3.16Å; E109-Y111 HydrophobicContact CB-CE2 3.77Å; E109-Y111 HydrophobicContact CG-CE2 4.36Å; E109-Y111 WeakPolarHBondContact O-CE2 3.36Å; Y111-F117 HydrophobicContact CD2-CD1 4.4Å; Y111-F117 HydrophobicContact CG-CD1 4.34Å; Y111-S118 WeakPolarHBondContact CD1-O 3.49Å; Y111-T120 HydrophobicContact CD1-CG2 4.17Å; Y111-T120 HydrophobicContact CE1-CG2 3.91Å
112F90.4Very high82.3Confident2 Ų246.3 Ų46.31%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-72.8147.1159.7-61.3-69.1000110F40 F84 L97 R98 I99 S118 A119 V121F40-F112 HydrophobicContact CB-CB 3.77Å; F40-F112 HydrophobicContact CB-CD1 4.37Å; F40-F112 HydrophobicContact CB-CD2 4.15Å; F40-F112 HydrophobicContact CB-CG 3.85Å; F40-F112 HydrophobicContact CD1-CB 3.39Å; F40-F112 AromaticContact CD1-CD2 3.27Å; F40-F112 HydrophobicContact CD1-CD2 3.27Å; F40-F112 HydrophobicContact CD1-CE2 4.24Å; F40-F112 AromaticContact CD1-CG 3.6Å; F40-F112 HydrophobicContact CD1-CG 3.6Å; F40-F112 HydrophobicContact CD2-CD2 4.12Å; F40-F112 HydrophobicContact CD2-CE2 4.37Å; F40-F112 HydrophobicContact CE1-CB 4.24Å; F40-F112 AromaticContact CE1-CD2 3.51Å; F40-F112 HydrophobicContact CE1-CD2 3.51Å; F40-F112 HydrophobicContact CE1-CE2 4.29Å; F40-F112 HydrophobicContact CE1-CG 4.27Å; F40-F112 HydrophobicContact CE2-CD2 4.35Å; F40-F112 HydrophobicContact CE2-CE2 4.47Å; F40-F112 HydrophobicContact CG-CB 3.88Å; F40-F112 AromaticContact CG-CD2 3.57Å; F40-F112 HydrophobicContact CG-CD2 3.57Å; F40-F112 HydrophobicContact CG-CE2 4.24Å; F40-F112 AromaticContact CG-CG 3.78Å; F40-F112 HydrophobicContact CG-CG 3.78Å; F40-F112 HydrophobicContact CZ-CD2 4.07Å; F40-F112 HydrophobicContact CZ-CE2 4.42Å; F84-F112 HydrophobicContact CE2-CD2 4.42Å; F84-F112 AromaticContact CE2-CE2 3.7Å; F84-F112 HydrophobicContact CE2-CE2 3.7Å; F84-F112 AromaticContact CE2-CZ 3.88Å; F84-F112 HydrophobicContact CE2-CZ 3.88Å; F84-F112 HydrophobicContact CZ-CE1 4.42Å; F84-F112 HydrophobicContact CZ-CE2 4.17Å; F84-F112 AromaticContact CZ-CZ 3.95Å; F84-F112 HydrophobicContact CZ-CZ 3.95Å; L97-F112 HydrophobicContact CB-CD1 4.46Å; L97-F112 HydrophobicContact CB-CE1 4.21Å; L97-F112 HydrophobicContact CD1-CE1 4.15Å; L97-F112 HydrophobicContact CD2-CD1 4.19Å; L97-F112 HydrophobicContact CD2-CE1 3.73Å; L97-F112 HydrophobicContact CD2-CZ 4.44Å; L97-F112 HydrophobicContact CG-CE1 4.25Å; R98-F112 CarbonylContact O-C 3.57Å; R98-F112 VanDerWaalsContact O-CA 3.26Å; R98-F112 WeakPolarHBondContact O-CA 3.19Å; I99-F112 HydrophobicContact CD1-CD1 3.67Å; I99-F112 HydrophobicContact CD1-CE1 3.75Å; F112-S118 WeakPolarHBondContact O-CB 3.33Å; F112-S118 PolarHBondContact O-N 2.99Å; F112-A119 PolarHBondContact N-O 2.8Å; F112-V121 HydrophobicContact CD1-CG2 4.27Å; F112-V121 HydrophobicContact CD2-CG2 4.5Å; F112-V121 HydrophobicContact CE1-CG1 4.3Å; F112-V121 HydrophobicContact CE1-CG2 4.14Å; F112-V121 HydrophobicContact CE2-CB 4.4Å; F112-V121 HydrophobicContact CE2-CG2 4.42Å; F112-V121 HydrophobicContact CG-CG2 4.45Å; F112-V121 HydrophobicContact CZ-CB 4.23Å; F112-V121 HydrophobicContact CZ-CG1 4.01Å; F112-V121 HydrophobicContact CZ-CG2 4.24Å
113A80.2Confident82.8Confident8 Ų848.8 Ų48.87%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-148.8139.1-176.800000114.2R98 L116R98-A113 WeakPolarHBondContact CB-O 3.37Å; R98-A113 PolarHBondContact O-N 2.77Å; A113-L116 WeakPolarHBondContact CA-O 3.24Å
114H72.3Confident83.6Confident36 Ų3644.3 Ų44.317%0.16722%0.217CC..SBendtrans-146.990.4166-176.6-121.1000110D38 L77 R98 L116D38-H114 HydrophobicContact CB-CB 4.44Å; D38-H114 VanDerWaalsContact CG-CD2 3.43Å; D38-H114 IonicContact OD1-CD2 3.21Å; D38-H114 IonicContact OD1-CG 3.96Å; D38-H114 IonicContact OD2-CD2 3.65Å; D38-H114 PolarHBondContact OD2-CD2 3.21Å; D38-H114 IonicContact OD2-CE1 2.76Å; D38-H114 PolarHBondContact OD2-CE1 3.34Å; D38-H114 IonicContact OD2-CG 3.01Å; D38-H114 IonicContact OD2-ND1 3.95Å; D38-H114 IonicContact OD2-NE2 3.77Å; D38-H114 PolarHBondContact OD2-NE2 2.86Å; L77-H114 PolarHBondContact O-ND1 2.81Å; R98-H114 PolarHBondContact NH1-CD2 3.5Å; R98-H114 PolarHBondContact NH1-NE2 3.42Å; H114-L116 PolarHBondContact N-O 2.98Å; H114-L116 VanDerWaalsContact N-O 3.12Å; H114-L116 PolarHBondContact O-N 3.47Å
115G60.8Low84.5Confident0 Ų032.5 Ų32.50%017%0.173CC..SBendtrans73.7-30.6-17000000114.7G51 E53G51-G115 WeakPolarHBondContact CA-O 3.3Å; G51-G115 PolarHBondContact N-O 2.82Å; E53-G115 WeakPolarHBondContact OE1-CA 3.44Å; E53-G115 PolarHBondContact OE1-N 2.68Å
116L64.3Low85.3Confident8 Ų835.5 Ų35.54%0.04219%0.186CC..BIsolated β-bridgetrans-141.4156.2178.7-67.2166.7000109.8I44 V50 L77 A113 H114I44-L116 HydrophobicContact CB-CB 4.48Å; I44-L116 HydrophobicContact CD1-CD1 4.42Å; I44-L116 HydrophobicContact CG1-CB 4.31Å; I44-L116 HydrophobicContact CG2-CB 3.62Å; I44-L116 HydrophobicContact CG2-CD1 3.23Å; I44-L116 HydrophobicContact CG2-CG 3.99Å; V50-L116 HydrophobicContact CG2-CD2 4.45Å; L77-L116 HydrophobicContact CD1-CD1 3.72Å; L77-L116 HydrophobicContact CD1-CG 3.86Å; A113-L116 WeakPolarHBondContact CA-O 3.24Å; H114-L116 PolarHBondContact N-O 2.98Å; H114-L116 VanDerWaalsContact N-O 3.12Å; H114-L116 PolarHBondContact O-N 3.47Å
117F70.1Confident86.1Confident2 Ų232.5 Ų32.51%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-75.4142.6178.9-61-87000111.8D45 P49 S100 T101 K102 Y111D45-F117 PolarHBondContact N-O 2.98Å; D45-F117 VanDerWaalsContact N-O 3.08Å; P49-F117 HydrophobicContact CG-CD2 4.35Å; P49-F117 HydrophobicContact CG-CE2 3.88Å; P49-F117 WeakPolarHBondContact O-CD2 3.31Å; S100-F117 WeakPolarHBondContact OG-CE1 3.37Å; T101-F117 WeakPolarHBondContact O-CE1 3.33Å; K102-F117 HydrophobicContact CB-CE1 4.24Å; K102-F117 HydrophobicContact CB-CZ 4.37Å; K102-F117 HydrophobicContact CD-CD1 4.29Å; K102-F117 HydrophobicContact CD-CG 4.27Å; K102-F117 HydrophobicContact CG-CD1 3.43Å; K102-F117 VanDerWaalsContact CG-CD1 3.43Å; K102-F117 HydrophobicContact CG-CD2 4.08Å; K102-F117 HydrophobicContact CG-CE1 3.42Å; K102-F117 VanDerWaalsContact CG-CE1 3.42Å; K102-F117 HydrophobicContact CG-CE2 4.08Å; K102-F117 HydrophobicContact CG-CG 3.77Å; K102-F117 HydrophobicContact CG-CZ 3.76Å; Y111-F117 HydrophobicContact CD2-CD1 4.4Å; Y111-F117 HydrophobicContact CG-CD1 4.34Å
118S76.5Confident86.7Confident6 Ų626.8 Ų26.84%0.04213%0.132CC..EExtended strand (participates in β ladder)trans-113.2-156.4175.5-1630000111.6F40 Y43 Y111 F112F40-S118 WeakPolarHBondContact CD1-OG 3.47Å; F40-S118 WeakPolarHBondContact CE1-OG 3.22Å; F40-S118 WeakPolarHBondContact O-CB 3.48Å; F40-S118 PolarHBondContact O-OG 3.16Å; F40-S118 VanDerWaalsContact O-OG 3.11Å; Y43-S118 WeakPolarHBondContact O-CA 3.32Å; Y43-S118 WeakPolarHBondContact O-CB 3.3Å; Y43-S118 PolarHBondContact O-OG 3.35Å; Y111-S118 WeakPolarHBondContact CD1-O 3.49Å; F112-S118 WeakPolarHBondContact O-CB 3.33Å; F112-S118 PolarHBondContact O-N 2.99Å
119A84.6Confident87.3Confident22 Ų2224 Ų2418%0.18212%0.117CC..EExtended strand (participates in β ladder)trans-62.8167.3171.300000112.4F40 F112 E123F40-A119 HydrophobicContact CE1-CB 3.33Å; F40-A119 HydrophobicContact CZ-CB 3.5Å; F40-A119 VanDerWaalsContact CZ-CB 3.5Å; F112-A119 PolarHBondContact N-O 2.8Å; A119-E123 WeakPolarHBondContact CB-OE2 3.27Å
120T92Very high87.6Confident28 Ų2825.6 Ų25.617%0.17213%0.134CC..EExtended strand (participates in β ladder)trans-70.4153.9-17865.70000111.1E109 L110 Y111 R122 E123 G124E109-T120 HydrophobicContact CG-CG2 4Å; L110-T120 CarbonylContact O-C 3.51Å; L110-T120 WeakPolarHBondContact O-CA 3.46Å; Y111-T120 HydrophobicContact CD1-CG2 4.17Å; Y111-T120 HydrophobicContact CE1-CG2 3.91Å; T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.31Å; T120-E123 PolarHBondContact N-OE2 2.8Å; T120-E123 PolarHBondContact O-N 2.67Å; T120-E123 WeakPolarHBondContact OG1-CB 3.42Å; T120-E123 WeakPolarHBondContact OG1-CG 3.36Å; T120-E123 PolarHBondContact OG1-N 2.76Å; T120-E123 PolarHBondContact OG1-OE2 2.98Å; T120-G124 PolarHBondContact O-N 3.34Å
121V95.2Very high87.8Confident0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-60.3-42.4176.5176.90000110.6I99 L110 F112 E123 G124 L125 F144 L158 M161I99-V121 HydrophobicContact CD1-CG2 3.71Å; I99-V121 HydrophobicContact CG2-CG2 4.12Å; L110-V121 HydrophobicContact CB-CB 4.05Å; L110-V121 HydrophobicContact CB-CG2 3.69Å; L110-V121 PolarHBondContact O-N 3.19Å; F112-V121 HydrophobicContact CD1-CG2 4.27Å; F112-V121 HydrophobicContact CD2-CG2 4.5Å; F112-V121 HydrophobicContact CE1-CG1 4.3Å; F112-V121 HydrophobicContact CE1-CG2 4.14Å; F112-V121 HydrophobicContact CE2-CB 4.4Å; F112-V121 HydrophobicContact CE2-CG2 4.42Å; F112-V121 HydrophobicContact CG-CG2 4.45Å; F112-V121 HydrophobicContact CZ-CB 4.23Å; F112-V121 HydrophobicContact CZ-CG1 4.01Å; F112-V121 HydrophobicContact CZ-CG2 4.24Å; V121-E123 PolarHBondContact O-N 2.61Å; V121-G124 PolarHBondContact O-N 3.5Å; V121-G124 VanDerWaalsContact O-N 3.15Å; V121-L125 HydrophobicContact CG1-CD1 3.96Å; V121-L125 HydrophobicContact CG1-CG 4.05Å; V121-L125 WeakPolarHBondContact O-CG 3.46Å; V121-L125 PolarHBondContact O-N 3.4Å; V121-F144 HydrophobicContact CG1-CE1 4.43Å; V121-L158 HydrophobicContact CG1-CD1 3.71Å; V121-M161 HydrophobicContact CB-SD 4.29Å; V121-M161 HydrophobicContact CG1-SD 4.05Å
122R95.8Very high88.1Confident70 Ų7024.6 Ų24.626%0.26413%0.13SC..Hα-helixtrans-54.9-51.7178.6177.1168.3-71.7-89.14112.4T120 G124 L125 E126 M161 E164T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.31Å; R122-G124 PolarHBondContact O-N 2.87Å; R122-L125 PolarHBondContact O-N 3.19Å; R122-L125 VanDerWaalsContact O-N 3.15Å; R122-E126 WeakPolarHBondContact CD-OE1 3.37Å; R122-E126 HydrophobicContact CG-CG 4.24Å; R122-E126 WeakPolarHBondContact CG-OE1 3.49Å; R122-E126 IonicContact NH1-OE1 2.78Å; R122-E126 WeakPolarHBondContact O-CB 3.5Å; R122-E126 WeakPolarHBondContact O-CG 3.29Å; R122-E126 PolarHBondContact O-N 2.77Å; R122-M161 VanDerWaalsContact CA-SD 3.6Å; R122-M161 HydrophobicContact CB-CE 4.03Å; R122-M161 HydrophobicContact CB-SD 3.75Å; R122-E164 IonicContact CZ-OE1 3.76Å; R122-E164 IonicContact CZ-OE2 3.82Å; R122-E164 IonicContact NH1-OE1 3.07Å; R122-E164 PolarHBondContact NH1-OE1 2.9Å; R122-E164 IonicContact NH1-OE2 3.05Å; R122-E164 IonicContact NH2-OE1 3.84Å; R122-E164 PolarHBondContact NH2-OE1 2.9Å; R122-E164 IonicContact NH2-OE2 2.77Å; R122-E164 PolarHBondContact NH2-OE2 3.04Å
123E93.3Very high88.5Confident94 Ų9428.2 Ų28.244%0.43916%0.155SC..Hα-helixtrans-58.2-35.5180-74165143.200112.5A119 T120 V121 Q127A119-E123 WeakPolarHBondContact CB-OE2 3.27Å; T120-E123 PolarHBondContact N-OE2 2.8Å; T120-E123 PolarHBondContact O-N 2.67Å; T120-E123 WeakPolarHBondContact OG1-CB 3.42Å; T120-E123 WeakPolarHBondContact OG1-CG 3.36Å; T120-E123 PolarHBondContact OG1-N 2.76Å; T120-E123 PolarHBondContact OG1-OE2 2.98Å; V121-E123 PolarHBondContact O-N 2.61Å; E123-Q127 WeakPolarHBondContact O-CG 3.44Å; E123-Q127 PolarHBondContact O-N 2.81Å; E123-Q127 PolarHBondContact O-NE2 3.24Å; E123-Q127 VanDerWaalsContact O-NE2 3.15Å
124G93.7Very high89.3Confident0 Ų031.3 Ų31.30%018%0.181CC..Hα-helixtrans-70.6-45.4175.900000113.1F84 T120 V121 R122 E126 Q127 I128F84-G124 VanDerWaalsContact CD2-CA 3.48Å; F84-G124 VanDerWaalsContact CE2-CA 3.5Å; T120-G124 PolarHBondContact O-N 3.34Å; V121-G124 PolarHBondContact O-N 3.5Å; V121-G124 VanDerWaalsContact O-N 3.15Å; R122-G124 PolarHBondContact O-N 2.87Å; G124-E126 VanDerWaalsContact C-N 3.3Å; G124-E126 PolarHBondContact O-N 3.03Å; G124-Q127 PolarHBondContact O-N 2.91Å; G124-I128 WeakPolarHBondContact O-CD1 3.44Å; G124-I128 WeakPolarHBondContact O-CG1 3.46Å; G124-I128 PolarHBondContact O-N 3.5Å; G124-I128 VanDerWaalsContact O-N 3.11Å
125L97.4Very high90.5Very high0 Ų030.7 Ų30.70%018%0.178CC..Hα-helixtrans-63.6-36.9177.3-59.3-175.7000111.7V121 R122 I128 T129 L142 F144 M161 L162 V165 F166V121-L125 HydrophobicContact CG1-CD1 3.96Å; V121-L125 HydrophobicContact CG1-CG 4.05Å; V121-L125 WeakPolarHBondContact O-CG 3.46Å; V121-L125 PolarHBondContact O-N 3.4Å; R122-L125 PolarHBondContact O-N 3.19Å; R122-L125 VanDerWaalsContact O-N 3.15Å; L125-I128 HydrophobicContact CD2-CD1 4.4Å; L125-I128 PolarHBondContact O-N 3.35Å; L125-T129 PolarHBondContact O-N 2.85Å; L125-L142 HydrophobicContact CD2-CD1 4.03Å; L125-F144 HydrophobicContact CD2-CZ 4.32Å; L125-M161 HydrophobicContact CD1-CG 4.09Å; L125-M161 HydrophobicContact CD1-SD 3.99Å; L125-L162 HydrophobicContact CD1-CD2 3.8Å; L125-L162 HydrophobicContact CD1-CG 4.36Å; L125-L162 HydrophobicContact CD2-CD2 4.32Å; L125-V165 HydrophobicContact CB-CB 4.39Å; L125-V165 HydrophobicContact CB-CG1 3.83Å; L125-V165 HydrophobicContact CB-CG2 4.38Å; L125-V165 WeakPolarHBondContact O-CG1 3.37Å; L125-F166 HydrophobicContact CB-CE2 4.28Å; L125-F166 HydrophobicContact CB-CZ 4.09Å; L125-F166 HydrophobicContact CD1-CE2 4.37Å; L125-F166 HydrophobicContact CD2-CE2 3.86Å; L125-F166 HydrophobicContact CD2-CZ 3.93Å; L125-F166 HydrophobicContact CG-CE2 4.38Å
126E97.2Very high92.3Very high82 Ų8234.2 Ų34.238%0.38321%0.207SC..Hα-helixtrans-65.5-38175.8-75.2173.3-179.900112.7R122 G124 T129 S130R122-E126 WeakPolarHBondContact CD-OE1 3.37Å; R122-E126 HydrophobicContact CG-CG 4.24Å; R122-E126 WeakPolarHBondContact CG-OE1 3.49Å; R122-E126 IonicContact NH1-OE1 2.78Å; R122-E126 WeakPolarHBondContact O-CB 3.5Å; R122-E126 WeakPolarHBondContact O-CG 3.29Å; R122-E126 PolarHBondContact O-N 2.77Å; G124-E126 VanDerWaalsContact C-N 3.3Å; G124-E126 PolarHBondContact O-N 3.03Å; E126-T129 WeakPolarHBondContact O-CG2 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.32Å; E126-S130 PolarHBondContact O-N 2.95Å; E126-S130 VanDerWaalsContact O-N 3.08Å; E126-S130 PolarHBondContact O-OG 3.37Å
127Q95.6Very high93.9Very high49 Ų4938.9 Ų38.923%0.22923%0.227CC..Hα-helixtrans-62.6-42.9170.8-76.4169.564.800111.8F84 E123 G124 S130 F131F84-Q127 HydrophobicContact CB-CB 4.11Å; E123-Q127 WeakPolarHBondContact O-CG 3.44Å; E123-Q127 PolarHBondContact O-N 2.81Å; E123-Q127 PolarHBondContact O-NE2 3.24Å; E123-Q127 VanDerWaalsContact O-NE2 3.15Å; G124-Q127 PolarHBondContact O-N 2.91Å; Q127-S130 PolarHBondContact O-N 3.11Å; Q127-F131 PolarHBondContact O-N 2.75Å
128I97.9Very high95.3Very high0 Ų038.8 Ų38.80%023%0.227CC..Hα-helixtrans-65.9-48179.6-64.7159.5000110.7F84 L88 G124 L125 S130 F131 L132 V140 L142 F166F84-I128 HydrophobicContact CB-CG1 4.29Å; F84-I128 HydrophobicContact CD1-CD1 3.91Å; F84-I128 HydrophobicContact CD1-CG1 4.05Å; F84-I128 HydrophobicContact CD2-CD1 4.44Å; F84-I128 HydrophobicContact CE1-CD1 3.93Å; F84-I128 HydrophobicContact CE2-CD1 4.44Å; F84-I128 HydrophobicContact CG-CD1 4.2Å; F84-I128 HydrophobicContact CG-CG1 4.09Å; F84-I128 HydrophobicContact CZ-CD1 4.21Å; L88-I128 HydrophobicContact CD1-CB 4.46Å; L88-I128 HydrophobicContact CD1-CG1 4.13Å; G124-I128 WeakPolarHBondContact O-CD1 3.44Å; G124-I128 WeakPolarHBondContact O-CG1 3.46Å; G124-I128 PolarHBondContact O-N 3.5Å; G124-I128 VanDerWaalsContact O-N 3.11Å; L125-I128 HydrophobicContact CD2-CD1 4.4Å; L125-I128 PolarHBondContact O-N 3.35Å; I128-S130 VanDerWaalsContact C-N 3.28Å; I128-S130 PolarHBondContact O-N 2.91Å; I128-F131 WeakPolarHBondContact O-CB 3.42Å; I128-F131 PolarHBondContact O-N 3.21Å; I128-L132 HydrophobicContact CG2-CD1 3.97Å; I128-L132 HydrophobicContact CG2-CG 4.32Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 2.88Å; I128-V140 HydrophobicContact CG2-CG2 3.89Å; I128-L142 HydrophobicContact CD1-CD2 3.83Å; I128-F166 HydrophobicContact CB-CE1 4.27Å; I128-F166 HydrophobicContact CB-CZ 4.29Å; I128-F166 HydrophobicContact CG2-CE1 3.89Å; I128-F166 HydrophobicContact CG2-CZ 4.06Å
129T98.1Very high96.3Very high23 Ų2338.5 Ų38.514%0.14123%0.225CC..Hα-helixtrans-65.5-32.2-179.2-158.20000112.3L125 E126 L132 S133 V165L125-T129 PolarHBondContact O-N 2.85Å; E126-T129 WeakPolarHBondContact O-CG2 3.28Å; T129-L132 PolarHBondContact O-N 3.25Å; T129-S133 WeakPolarHBondContact O-CB 3.41Å; T129-S133 PolarHBondContact O-N 3.04Å; T129-S133 PolarHBondContact O-OG 3.33Å; T129-V165 HydrophobicContact CG2-CG1 3.73Å; T129-V165 PolarHBondContact OG1-O 2.85Å
130S98.2Very high97Very high78 Ų7837.4 Ų37.455%0.54522%0.216SC..Hα-helixtrans-63.5-45.2174.6-620000111.4E126 Q127 I128 S133 A134E126-S130 WeakPolarHBondContact O-CB 3.32Å; E126-S130 PolarHBondContact O-N 2.95Å; E126-S130 VanDerWaalsContact O-N 3.08Å; E126-S130 PolarHBondContact O-OG 3.37Å; Q127-S130 PolarHBondContact O-N 3.11Å; I128-S130 VanDerWaalsContact C-N 3.28Å; I128-S130 PolarHBondContact O-N 2.91Å; S130-S133 PolarHBondContact O-N 3.24Å; S130-A134 PolarHBondContact O-N 3.23Å
131F98.2Very high97.3Very high9 Ų936.1 Ų36.14%0.03921%0.208CC..Hα-helixtrans-61.6-50173.7172.6-91.8000111.5A13 L88 Q127 I128 S133 A134 H135 E138A13-F131 HydrophobicContact CB-CE2 4.28Å; A13-F131 WeakPolarHBondContact O-CZ 3.39Å; L88-F131 HydrophobicContact CB-CB 4.5Å; L88-F131 HydrophobicContact CB-CD1 3.94Å; L88-F131 HydrophobicContact CB-CD2 3.65Å; L88-F131 HydrophobicContact CB-CE1 4.07Å; L88-F131 HydrophobicContact CB-CE2 3.77Å; L88-F131 HydrophobicContact CB-CG 3.75Å; L88-F131 HydrophobicContact CB-CZ 3.99Å; L88-F131 HydrophobicContact CD1-CB 3.67Å; L88-F131 HydrophobicContact CD1-CD1 3.91Å; L88-F131 HydrophobicContact CD1-CD2 4.4Å; L88-F131 HydrophobicContact CD1-CG 3.73Å; L88-F131 HydrophobicContact CD2-CD1 3.82Å; L88-F131 HydrophobicContact CD2-CE1 3.97Å; L88-F131 HydrophobicContact CD2-CG 4.38Å; L88-F131 HydrophobicContact CG-CD1 4.11Å; L88-F131 HydrophobicContact CG-CE1 4.47Å; L88-F131 HydrophobicContact CG-CG 4.15Å; Q127-F131 PolarHBondContact O-N 2.75Å; I128-F131 WeakPolarHBondContact O-CB 3.42Å; I128-F131 PolarHBondContact O-N 3.21Å; F131-S133 PolarHBondContact O-N 3.08Å; F131-S133 VanDerWaalsContact O-N 3.17Å; F131-A134 CarbonylContact O-C 3.4Å; F131-A134 WeakPolarHBondContact O-CA 3.35Å; F131-A134 PolarHBondContact O-N 2.99Å; F131-H135 AromaticContact CD2-CD2 3.32Å; F131-H135 WeakPolarHBondContact CD2-CD2 3.28Å; F131-H135 AromaticContact CD2-NE2 3.8Å; F131-H135 HydrophobicContact CE1-CB 4.09Å; F131-H135 HydrophobicContact CE2-CB 4.46Å; F131-H135 AromaticContact CE2-CD2 3.17Å; F131-H135 WeakPolarHBondContact CE2-CD2 3.16Å; F131-H135 AromaticContact CE2-CG 3.8Å; F131-H135 AromaticContact CE2-NE2 3.54Å; F131-H135 AromaticContact CG-CD2 3.89Å; F131-H135 HydrophobicContact CZ-CB 4.02Å; F131-H135 AromaticContact CZ-CD2 3.62Å; F131-H135 AromaticContact CZ-CG 3.79Å; F131-H135 PolarHBondContact O-CD2 3.34Å; F131-H135 PolarHBondContact O-N 3.18Å; F131-E138 HydrophobicContact CE1-CB 4.04Å; F131-E138 HydrophobicContact CE1-CG 4.38Å; F131-E138 HydrophobicContact CZ-CG 4.4Å
132L98.6Very high97.5Very high0 Ų036.1 Ų36.10%021%0.208CC..Hα-helixtrans-60.8-30.9-178.9-68.4176.6000113.1I128 T129 A134 H135 V140 F166 K169 Q190 V191I128-L132 HydrophobicContact CG2-CD1 3.97Å; I128-L132 HydrophobicContact CG2-CG 4.32Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 2.88Å; T129-L132 PolarHBondContact O-N 3.25Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-H135 CarbonylContact O-C 3.51Å; L132-H135 VanDerWaalsContact O-C 3.32Å; L132-H135 PolarHBondContact O-N 3.11Å; L132-V140 HydrophobicContact CD1-CG2 3.82Å; L132-V140 HydrophobicContact CD2-CG1 4Å; L132-V140 HydrophobicContact CD2-CG2 4.29Å; L132-V140 HydrophobicContact CG-CG2 4.5Å; L132-F166 HydrophobicContact CD1-CD1 4.47Å; L132-F166 HydrophobicContact CD1-CE1 4.3Å; L132-K169 HydrophobicContact CB-CD 4.42Å; L132-Q190 HydrophobicContact CD1-CB 4.08Å; L132-Q190 HydrophobicContact CD2-CB 4.12Å; L132-Q190 PolarHBondContact O-NE2 3.04Å; L132-Q190 PolarHBondContact O-OE1 3.25Å; L132-V191 HydrophobicContact CD1-CG2 3.42Å; L132-V191 VanDerWaalsContact CD1-CG2 3.42Å
133S98Very high97.6Very high77 Ų7732.8 Ų32.854%0.53820%0.195SC..Hα-helixtrans-70-29.9175.1-58.40000112.8T129 S130 F131T129-S133 WeakPolarHBondContact O-CB 3.41Å; T129-S133 PolarHBondContact O-N 3.04Å; T129-S133 PolarHBondContact O-OG 3.33Å; S130-S133 PolarHBondContact O-N 3.24Å; F131-S133 PolarHBondContact O-N 3.08Å; F131-S133 VanDerWaalsContact O-N 3.17Å
134A97.9Very high97.9Very high74 Ų7428.3 Ų28.361%0.61217%0.174SC*.Hα-helixtrans-82.7-24.5173.100000112.8S130 F131 L132S130-A134 PolarHBondContact O-N 3.23Å; F131-A134 CarbonylContact O-C 3.4Å; F131-A134 WeakPolarHBondContact O-CA 3.35Å; F131-A134 PolarHBondContact O-N 2.99Å; L132-A134 VanDerWaalsContact C-N 3.34Å
135H98Very high97.8Very high23 Ų2329.6 Ų29.611%0.10618%0.181CC..  trans-125.469.2-172.4-60-79.4000111.3D14 E89 F131 L132 K137 E138 Q190D14-H135 IonicContact OD1-CE1 3.78Å; D14-H135 IonicContact OD1-CG 3.54Å; D14-H135 IonicContact OD1-ND1 2.72Å; D14-H135 PolarHBondContact OD1-ND1 3.24Å; D14-H135 IonicContact OD2-CE1 3.74Å; D14-H135 PolarHBondContact OD2-CE1 2.85Å; D14-H135 IonicContact OD2-ND1 2.86Å; D14-H135 PolarHBondContact OD2-ND1 3.18Å; E89-H135 IonicContact OE1-NE2 3.4Å; F131-H135 AromaticContact CD2-CD2 3.32Å; F131-H135 WeakPolarHBondContact CD2-CD2 3.28Å; F131-H135 AromaticContact CD2-NE2 3.8Å; F131-H135 HydrophobicContact CE1-CB 4.09Å; F131-H135 HydrophobicContact CE2-CB 4.46Å; F131-H135 AromaticContact CE2-CD2 3.17Å; F131-H135 WeakPolarHBondContact CE2-CD2 3.16Å; F131-H135 AromaticContact CE2-CG 3.8Å; F131-H135 AromaticContact CE2-NE2 3.54Å; F131-H135 AromaticContact CG-CD2 3.89Å; F131-H135 HydrophobicContact CZ-CB 4.02Å; F131-H135 AromaticContact CZ-CD2 3.62Å; F131-H135 AromaticContact CZ-CG 3.79Å; F131-H135 PolarHBondContact O-CD2 3.34Å; F131-H135 PolarHBondContact O-N 3.18Å; L132-H135 CarbonylContact O-C 3.51Å; L132-H135 VanDerWaalsContact O-C 3.32Å; L132-H135 PolarHBondContact O-N 3.11Å; H135-K137 PolarHBondContact O-N 3.34Å; H135-E138 HydrophobicContact CB-CB 4.09Å; H135-E138 HydrophobicContact CB-CG 3.66Å; H135-E138 WeakPolarHBondContact O-CB 3.48Å; H135-E138 PolarHBondContact O-N 3.07Å; H135-Q190 PolarHBondContact O-NE2 3Å; H135-Q190 VanDerWaalsContact O-NE2 3.11Å
136A97.6Very high97.6Very high73 Ų7333 Ų3360%0.60320%0.197SC*.THydrogen-bonded Turntrans-59.4-19-168.500000115.8Q190A136-Q190 PolarHBondContact O-NE2 3.48Å
137K98.4Very high97.4Very high106 Ų10631.2 Ų31.246%0.46119%0.188SC..THydrogen-bonded Turntrans-100.72.4179-74.9-172.9178.5-176.20113.8A17 H135 W185A17-K137 HydrophobicContact CB-CB 3.62Å; A17-K137 HydrophobicContact CB-CD 4.04Å; A17-K137 HydrophobicContact CB-CG 4.49Å; H135-K137 PolarHBondContact O-N 3.34Å; K137-W185 HydrophobicContact CB-CD2 4.44Å; K137-W185 HydrophobicContact CB-CZ2 3.97Å; K137-W185 HydrophobicContact CD-CD2 4.33Å; K137-W185 HydrophobicContact CD-CE3 4.43Å; K137-W185 HydrophobicContact CD-CH2 4.42Å; K137-W185 HydrophobicContact CD-CZ2 4.31Å; K137-W185 HydrophobicContact CD-CZ3 4.48Å; K137-W185 HydrophobicContact CG-CD2 4.14Å; K137-W185 HydrophobicContact CG-CG 4.31Å; K137-W185 HydrophobicContact CG-CZ2 4.38Å; K137-W185 PolarHBondContact O-NE1 3Å
138E98.7Very high97.1Very high0 Ų031 Ų310%019%0.185CC..  trans-91.3144.8175.8-58.8-59.3116.800110.5A13 D14 M16 A17 R93 F131 H135 Q190A13-E138 WeakPolarHBondContact O-CG 3.42Å; D14-E138 VanDerWaalsContact C-OE1 3.27Å; D14-E138 WeakPolarHBondContact CA-OE1 3.42Å; M16-E138 WeakPolarHBondContact CB-OE1 3.25Å; M16-E138 PolarHBondContact N-OE1 2.88Å; M16-E138 VanDerWaalsContact N-OE1 3.14Å; M16-E138 PolarHBondContact N-OE2 3.42Å; A17-E138 PolarHBondContact N-OE1 2.79Å; R93-E138 IonicContact CZ-OE2 4Å; R93-E138 IonicContact NE-OE2 3Å; R93-E138 PolarHBondContact NE-OE2 3.44Å; R93-E138 IonicContact NH2-OE2 3.33Å; R93-E138 PolarHBondContact NH2-OE2 2.92Å; F131-E138 HydrophobicContact CE1-CB 4.04Å; F131-E138 HydrophobicContact CE1-CG 4.38Å; F131-E138 HydrophobicContact CZ-CG 4.4Å; H135-E138 HydrophobicContact CB-CB 4.09Å; H135-E138 HydrophobicContact CB-CG 3.66Å; H135-E138 WeakPolarHBondContact O-CB 3.48Å; H135-E138 PolarHBondContact O-N 3.07Å; E138-Q190 PolarHBondContact O-NE2 3.38Å; E138-Q190 VanDerWaalsContact O-NE2 3.15Å
139V98.8Very high96.7Very high0 Ų033.4 Ų33.40%021%0.211CC..  trans-126.8131.4-176.3177.90000109.1M16 L28 R93 F141 L181 L184 Q190 L192M16-V139 HydrophobicContact SD-CB 3.92Å; M16-V139 PolarHBondContact SD-N 3.27Å; L28-V139 HydrophobicContact CD2-CG1 4.11Å; R93-V139 WeakPolarHBondContact CB-O 3.45Å; R93-V139 VanDerWaalsContact CD-O 3.25Å; R93-V139 WeakPolarHBondContact CD-O 3.46Å; V139-F141 HydrophobicContact CG1-CE2 4.41Å; V139-L181 HydrophobicContact CG2-CD2 4.31Å; V139-L184 HydrophobicContact CB-CD1 4.23Å; V139-L184 HydrophobicContact CG1-CD1 3.63Å; V139-L184 HydrophobicContact CG2-CB 4.23Å; V139-L184 HydrophobicContact CG2-CD1 3.68Å; V139-Q190 CarbonylContact C-O 3.51Å; V139-Q190 VanDerWaalsContact CA-O 3.3Å; V139-Q190 WeakPolarHBondContact CA-O 3.22Å; V139-L192 HydrophobicContact CG1-CD1 3.65Å
140V98.9Very high96.4Very high0 Ų033.4 Ų33.40%021%0.21CC..EExtended strand (participates in β ladder)trans-114.1149.4178.2-62.90000112.5L88 R93 F95 I128 L132 L142 Q190 V191 L192L88-V140 HydrophobicContact CD2-CG1 3.7Å; R93-V140 CarbonylContact O-C 3.59Å; R93-V140 VanDerWaalsContact O-CA 3.27Å; R93-V140 WeakPolarHBondContact O-CA 3.45Å; F95-V140 HydrophobicContact CE2-CG1 4.32Å; I128-V140 HydrophobicContact CG2-CG2 3.89Å; L132-V140 HydrophobicContact CD1-CG2 3.82Å; L132-V140 HydrophobicContact CD2-CG1 4Å; L132-V140 HydrophobicContact CD2-CG2 4.29Å; L132-V140 HydrophobicContact CG-CG2 4.5Å; V140-L142 HydrophobicContact CG2-CD2 4.33Å; V140-Q190 PolarHBondContact N-O 3.22Å; V140-V191 HydrophobicContact CG2-CB 4.4Å; V140-V191 HydrophobicContact CG2-CG1 4.26Å; V140-V191 HydrophobicContact CG2-CG2 3.95Å; V140-L192 PolarHBondContact O-N 3.33Å
141F98.9Very high96.1Very high0 Ų036 Ų360%021%0.214CC..EExtended strand (participates in β ladder)trans-111.4117.4175.4-63.8-107.3000107.8L28 I33 R93 F94 F95 V139 L192 F194 M212 F242 I292L28-F141 HydrophobicContact CB-CZ 4.08Å; L28-F141 HydrophobicContact CD2-CE2 3.97Å; L28-F141 HydrophobicContact CD2-CZ 3.59Å; L28-F141 HydrophobicContact CG-CZ 4.34Å; I33-F141 HydrophobicContact CD1-CE2 3.69Å; I33-F141 HydrophobicContact CD1-CZ 3.83Å; R93-F141 PolarHBondContact O-N 3.27Å; F94-F141 HydrophobicContact CB-CB 4.16Å; F94-F141 HydrophobicContact CD2-CB 3.53Å; F94-F141 HydrophobicContact CD2-CG 4.29Å; F94-F141 HydrophobicContact CE2-CB 4.37Å; F94-F141 HydrophobicContact CG-CB 4.24Å; F95-F141 PolarHBondContact N-O 2.96Å; V139-F141 HydrophobicContact CG1-CE2 4.41Å; F141-L192 WeakPolarHBondContact CA-O 3.42Å; F141-L192 HydrophobicContact CD1-CB 4.28Å; F141-L192 HydrophobicContact CD1-CD2 4.47Å; F141-L192 HydrophobicContact CE1-CD2 3.94Å; F141-F194 AromaticContact CD1-CE2 3.67Å; F141-F194 HydrophobicContact CD1-CE2 3.67Å; F141-F194 HydrophobicContact CD1-CZ 4.31Å; F141-F194 HydrophobicContact CE1-CE2 4.35Å; F141-M212 HydrophobicContact CD1-CE 3.96Å; F141-F242 AromaticContact CE1-CD1 3.77Å; F141-F242 HydrophobicContact CE1-CD1 3.77Å; F141-F242 AromaticContact CE1-CE1 3.48Å; F141-F242 HydrophobicContact CE1-CE1 3.48Å; F141-F242 VanDerWaalsContact CE1-CE1 3.48Å; F141-F242 HydrophobicContact CE1-CG 4.41Å; F141-F242 AromaticContact CE1-CZ 3.89Å; F141-F242 HydrophobicContact CE1-CZ 3.89Å; F141-F242 HydrophobicContact CZ-CD1 4.44Å; F141-F242 AromaticContact CZ-CE1 3.94Å; F141-F242 HydrophobicContact CZ-CE1 3.94Å; F141-I292 HydrophobicContact CD1-CD1 4.31Å
142L98.8Very high95.9Very high0 Ų040.6 Ų40.60%024%0.239CC..EExtended strand (participates in β ladder)trans-107.1104.8176.4-53.6-175.6000108F95 L97 L125 I128 V140 F144 F166 V191 L192 V193 F194F95-L142 HydrophobicContact CB-CD2 4.44Å; F95-L142 HydrophobicContact CD2-CD2 3.86Å; L97-L142 HydrophobicContact CD1-CB 3.96Å; L97-L142 HydrophobicContact CD1-CD2 4.36Å; L125-L142 HydrophobicContact CD2-CD1 4.03Å; I128-L142 HydrophobicContact CD1-CD2 3.83Å; V140-L142 HydrophobicContact CG2-CD2 4.33Å; L142-F144 HydrophobicContact CB-CD2 4.35Å; L142-F144 HydrophobicContact CB-CE2 3.89Å; L142-F144 HydrophobicContact CD1-CE2 4.48Å; L142-F166 HydrophobicContact CD1-CE2 3.59Å; L142-F166 HydrophobicContact CD1-CZ 3.7Å; L142-V191 HydrophobicContact CD1-CG1 3.74Å; L142-V191 HydrophobicContact CG-CG1 4.04Å; L142-L192 PolarHBondContact N-O 2.92Å; L142-V193 CarbonylContact O-C 3.46Å; L142-V193 WeakPolarHBondContact O-CA 3.13Å; L142-F194 PolarHBondContact O-N 3.49Å
143D98.4Very high95.6Very high1 Ų146 Ų461%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-97.295.8178.7-175.121.4000110.5F94 F95 L97 N145 F194 H196F94-D143 HydrophobicContact CE1-CB 4.41Å; F94-D143 HydrophobicContact CE2-CB 3.74Å; F94-D143 HydrophobicContact CZ-CB 3.5Å; F94-D143 VanDerWaalsContact CZ-CB 3.5Å; F95-D143 PolarHBondContact O-N 3.28Å; L97-D143 WeakPolarHBondContact CA-O 3.4Å; L97-D143 WeakPolarHBondContact CB-O 3.3Å; L97-D143 PolarHBondContact N-O 3.44Å; D143-N145 PolarHBondContact O-N 3.26Å; D143-N145 PolarHBondContact OD2-ND2 3.5Å; D143-F194 HydrophobicContact CB-CB 4.41Å; D143-H196 IonicContact OD1-CD2 3.62Å; D143-H196 PolarHBondContact OD1-CD2 2.99Å; D143-H196 IonicContact OD1-NE2 3.22Å; D143-H196 PolarHBondContact OD1-NE2 3.11Å
144F97.8Very high95.5Very high0 Ų042.8 Ų42.80%024%0.243CC..EExtended strand (participates in β ladder)trans-76.577.3171.8-67.2-92.3000109.4L97 I99 V121 L125 L142 F147 L158 L162 V193 F194 Y195 H196L97-F144 HydrophobicContact CB-CD1 4.25Å; L97-F144 HydrophobicContact CD1-CD1 4.26Å; L97-F144 HydrophobicContact CD1-CD2 4.29Å; L97-F144 HydrophobicContact CD1-CE1 3.93Å; L97-F144 HydrophobicContact CD1-CE2 3.95Å; L97-F144 HydrophobicContact CD1-CG 4.45Å; L97-F144 HydrophobicContact CD1-CZ 3.77Å; L97-F144 CarbonylContact O-C 3.51Å; I99-F144 HydrophobicContact CD1-CD1 3.61Å; I99-F144 HydrophobicContact CD1-CE1 3.65Å; I99-F144 HydrophobicContact CG1-CD1 3.53Å; I99-F144 HydrophobicContact CG1-CE1 4.02Å; V121-F144 HydrophobicContact CG1-CE1 4.43Å; L125-F144 HydrophobicContact CD2-CZ 4.32Å; L142-F144 HydrophobicContact CB-CD2 4.35Å; L142-F144 HydrophobicContact CB-CE2 3.89Å; L142-F144 HydrophobicContact CD1-CE2 4.48Å; F144-F147 HydrophobicContact CB-CE1 4.21Å; F144-F147 HydrophobicContact CB-CE2 4.41Å; F144-F147 HydrophobicContact CB-CZ 3.64Å; F144-F147 WeakPolarHBondContact O-CE2 3.2Å; F144-L158 HydrophobicContact CD1-CD2 3.85Å; F144-L158 HydrophobicContact CE1-CD1 3.99Å; F144-L158 HydrophobicContact CE1-CD2 3.79Å; F144-L158 HydrophobicContact CE1-CG 4.36Å; F144-L158 HydrophobicContact CZ-CD1 4.28Å; F144-L162 HydrophobicContact CE2-CD1 4.22Å; F144-L162 HydrophobicContact CE2-CD2 3.97Å; F144-L162 HydrophobicContact CZ-CD1 4.42Å; F144-L162 HydrophobicContact CZ-CD2 3.94Å; F144-V193 HydrophobicContact CD2-CG1 3.64Å; F144-V193 HydrophobicContact CE2-CG1 3.71Å; F144-F194 WeakPolarHBondContact CB-O 3.49Å; F144-F194 PolarHBondContact N-O 2.79Å; F144-Y195 HydrophobicContact CB-CD2 3.75Å; F144-Y195 HydrophobicContact CB-CE2 4.08Å; F144-Y195 HydrophobicContact CD2-CD2 4.09Å; F144-Y195 HydrophobicContact CD2-CE2 4.45Å; F144-Y195 AromaticContact CG-CD2 4Å; F144-Y195 HydrophobicContact CG-CD2 4Å; F144-Y195 HydrophobicContact CG-CE2 4.12Å; F144-H196 PolarHBondContact O-N 3.47Å; F144-H196 VanDerWaalsContact O-N 3.15Å
145N93.5Very high95.5Very high27 Ų2739.5 Ų39.514%0.14422%0.216CC..EExtended strand (participates in β ladder)trans-79.8-38.9-165.9-160.8-60.6000112.4D96 L97 D143 H196D96-N145 WeakPolarHBondContact OD1-CB 3.27Å; L97-N145 PolarHBondContact O-N 2.98Å; D143-N145 PolarHBondContact O-N 3.26Å; D143-N145 PolarHBondContact OD2-ND2 3.5Å; N145-H196 VanDerWaalsContact O-CB 3.27Å; N145-H196 WeakPolarHBondContact O-CB 3.43Å
146H92.6Very high95.4Very high72 Ų7243.7 Ų43.733%0.33324%0.235SC..EExtended strand (participates in β ladder)trans-130.5145.8-178.9-64.876.8000113R98 I99 Y148R98-H146 WeakPolarHBondContact CA-O 3.46Å; R98-H146 HydrophobicContact CB-CB 4.26Å; R98-H146 HydrophobicContact CG-CB 3.92Å; I99-H146 PolarHBondContact N-O 2.85Å; H146-Y148 HydrophobicContact CB-CE1 4.49Å; H146-Y148 HydrophobicContact CB-CE2 3.89Å
147F93.4Very high95.4Very high43 Ų4343.4 Ų43.419%0.18922%0.22CC..EExtended strand (participates in β ladder)trans-131121.8177-60.7-82.5000110.5I99 F144 V150 H155 L158 Y195 H196 H197I99-F147 HydrophobicContact CB-CD1 3.88Å; I99-F147 HydrophobicContact CB-CE1 4.24Å; I99-F147 HydrophobicContact CG1-CD1 4.14Å; I99-F147 HydrophobicContact CG1-CE1 4Å; I99-F147 CarbonylContact O-C 3.53Å; I99-F147 WeakPolarHBondContact O-CA 3.43Å; F144-F147 HydrophobicContact CB-CE1 4.21Å; F144-F147 HydrophobicContact CB-CE2 4.41Å; F144-F147 HydrophobicContact CB-CZ 3.64Å; F144-F147 WeakPolarHBondContact O-CE2 3.2Å; F147-V150 HydrophobicContact CB-CB 3.94Å; F147-V150 HydrophobicContact CB-CG2 3.9Å; F147-V150 HydrophobicContact CD1-CB 4.37Å; F147-V150 HydrophobicContact CD1-CG1 4.18Å; F147-V150 HydrophobicContact CD1-CG2 4.13Å; F147-H155 AromaticContact CD1-CE1 3.55Å; F147-H155 AromaticContact CD2-CE1 3.86Å; F147-H155 AromaticContact CE1-CE1 3.81Å; F147-H155 AromaticContact CE1-ND1 3.94Å; F147-H155 AromaticContact CG-CE1 3.58Å; F147-L158 HydrophobicContact CE1-CD2 3.98Å; F147-Y195 HydrophobicContact CE1-CE1 4.35Å; F147-Y195 AromaticContact CE1-CE2 3.95Å; F147-Y195 HydrophobicContact CE1-CE2 3.95Å; F147-Y195 AromaticContact CE1-CZ 3.73Å; F147-Y195 HydrophobicContact CE2-CD1 4.41Å; F147-Y195 HydrophobicContact CE2-CE1 4.21Å; F147-Y195 HydrophobicContact CZ-CD1 4.07Å; F147-Y195 AromaticContact CZ-CD2 3.92Å; F147-Y195 HydrophobicContact CZ-CD2 3.92Å; F147-Y195 AromaticContact CZ-CE1 3.66Å; F147-Y195 HydrophobicContact CZ-CE1 3.66Å; F147-Y195 AromaticContact CZ-CE2 3.52Å; F147-Y195 HydrophobicContact CZ-CE2 3.52Å; F147-Y195 HydrophobicContact CZ-CG 4.19Å; F147-Y195 AromaticContact CZ-CZ 3.37Å; F147-H196 HydrophobicContact CE2-CB 4.4Å; F147-H197 HydrophobicContact CE2-CB 4.23Å
148Y88.9Confident95.4Very high45 Ų4538.4 Ų38.418%0.17620%0.198CC..EExtended strand (participates in β ladder)trans-118.8115.8-177.7-54.7-69.5000111.4E53 R98 I99 S100 T101 H146 V150E53-Y148 HydrophobicContact CB-CD1 4.15Å; E53-Y148 HydrophobicContact CB-CE1 3.89Å; E53-Y148 HydrophobicContact CG-CE1 4.39Å; R98-Y148 HydrophobicContact CB-CE2 4.17Å; I99-Y148 PolarHBondContact O-N 2.84Å; S100-Y148 VanDerWaalsContact CA-O 3.24Å; S100-Y148 WeakPolarHBondContact CA-O 3.18Å; S100-Y148 PolarHBondContact OG-O 2.98Å; T101-Y148 PolarHBondContact N-O 3.26Å; H146-Y148 HydrophobicContact CB-CE1 4.49Å; H146-Y148 HydrophobicContact CB-CE2 3.89Å; Y148-V150 PolarHBondContact O-N 2.99Å
149G88.2Confident95.4Very high51 Ų5138.9 Ų38.953%0.52620%0.201SC..SBendtrans69.710.5-177.300000114.1T101T101-G149 VanDerWaalsContact OG1-C 3.27Å; T101-G149 PolarHBondContact OG1-O 3.04Å
150V92.1Very high95.4Very high23 Ų2341.5 Ų41.514%0.13922%0.223CC..  trans-81.6139.3177-174.10000108.6I99 T101 F147 Y148 H154 H155I99-V150 HydrophobicContact CG2-CG2 4.24Å; T101-V150 HydrophobicContact CG2-CG2 4.47Å; F147-V150 HydrophobicContact CB-CB 3.94Å; F147-V150 HydrophobicContact CB-CG2 3.9Å; F147-V150 HydrophobicContact CD1-CB 4.37Å; F147-V150 HydrophobicContact CD1-CG1 4.18Å; F147-V150 HydrophobicContact CD1-CG2 4.13Å; Y148-V150 PolarHBondContact O-N 2.99Å; V150-H154 HydrophobicContact CB-CB 4.43Å; V150-H154 HydrophobicContact CG1-CB 3.51Å; V150-H155 WeakPolarHBondContact CG1-NE2 3.24Å
151Q92.4Very high95.3Very high132 Ų13241.7 Ų41.762%0.61722%0.224SC*.  trans-124.6173.4-178.6-59.2178-6.400108.7L153 H154 H155Q151-L153 VanDerWaalsContact C-N 3.32Å; Q151-L153 PolarHBondContact O-N 2.67Å; Q151-H154 PolarHBondContact N-ND1 2.82Å; Q151-H154 VanDerWaalsContact N-ND1 3.1Å; Q151-H154 WeakPolarHBondContact O-CA 3.17Å; Q151-H154 VanDerWaalsContact O-CB 3.26Å; Q151-H154 WeakPolarHBondContact O-CB 3.5Å; Q151-H154 PolarHBondContact O-N 2.73Å; Q151-H155 PolarHBondContact O-CD2 2.94Å; Q151-H155 VanDerWaalsContact O-CD2 3.27Å; Q151-H155 PolarHBondContact O-N 3.14Å
152N93.8Very high95.3Very high105 Ų10541.7 Ų41.756%0.56122%0.224SC*.Hα-helixtrans-53-45.5-176.7-67.6-2.1000113.4H154 H155 E156N152-H154 VanDerWaalsContact C-N 3.26Å; N152-H154 PolarHBondContact O-N 3.24Å; N152-H155 WeakPolarHBondContact O-CB 3.49Å; N152-H155 PolarHBondContact O-N 2.93Å; N152-H155 VanDerWaalsContact O-N 3.11Å; N152-E156 WeakPolarHBondContact O-CG 3.16Å; N152-E156 PolarHBondContact O-N 2.94Å
153L93.6Very high95.3Very high113 Ų11347 Ų4759%0.59225%0.247SC*.Hα-helixtrans-59.1-36.8176.1-177.670.4000112.6Q151 E156 K157Q151-L153 VanDerWaalsContact C-N 3.32Å; Q151-L153 PolarHBondContact O-N 2.67Å; L153-E156 PolarHBondContact O-N 2.7Å; L153-K157 WeakPolarHBondContact O-CB 3.23Å; L153-K157 PolarHBondContact O-N 3.26Å
154H95.6Very high95.3Very high10 Ų1053.1 Ų53.15%0.04628%0.276CS..Hα-helixtrans-70.2-38.2177.4-61120.4000111.6L110 V150 Q151 N152 K157 L158L110-H154 HydrophobicContact CD2-CB 4.06Å; V150-H154 HydrophobicContact CB-CB 4.43Å; V150-H154 HydrophobicContact CG1-CB 3.51Å; Q151-H154 PolarHBondContact N-ND1 2.82Å; Q151-H154 VanDerWaalsContact N-ND1 3.1Å; Q151-H154 WeakPolarHBondContact O-CA 3.17Å; Q151-H154 VanDerWaalsContact O-CB 3.26Å; Q151-H154 WeakPolarHBondContact O-CB 3.5Å; Q151-H154 PolarHBondContact O-N 2.73Å; N152-H154 VanDerWaalsContact C-N 3.26Å; N152-H154 PolarHBondContact O-N 3.24Å; H154-K157 PolarHBondContact O-N 2.99Å; H154-L158 WeakPolarHBondContact O-CB 3.48Å; H154-L158 PolarHBondContact O-N 2.92Å
155H97.3Very high95.4Very high6 Ų654 Ų543%0.02828%0.282CS..Hα-helixtrans-64.1-42.6172.7-70.9-70.7000111.4F147 V150 Q151 N152 L158 V159 Y195 H197 M199F147-H155 AromaticContact CD1-CE1 3.55Å; F147-H155 AromaticContact CD2-CE1 3.86Å; F147-H155 AromaticContact CE1-CE1 3.81Å; F147-H155 AromaticContact CE1-ND1 3.94Å; F147-H155 AromaticContact CG-CE1 3.58Å; V150-H155 WeakPolarHBondContact CG1-NE2 3.24Å; Q151-H155 PolarHBondContact O-CD2 2.94Å; Q151-H155 VanDerWaalsContact O-CD2 3.27Å; Q151-H155 PolarHBondContact O-N 3.14Å; N152-H155 WeakPolarHBondContact O-CB 3.49Å; N152-H155 PolarHBondContact O-N 2.93Å; N152-H155 VanDerWaalsContact O-N 3.11Å; H155-L158 PolarHBondContact O-N 3.05Å; H155-V159 WeakPolarHBondContact O-CG2 3.45Å; H155-V159 PolarHBondContact O-N 2.94Å; H155-Y195 AromaticContact ND1-CE1 3.58Å; H155-Y195 AromaticContact ND1-CZ 3.57Å; H155-Y195 PolarHBondContact ND1-OH 2.72Å; H155-H197 AromaticContact CD2-CD2 3.91Å; H155-H197 AromaticContact CD2-CE1 3.94Å; H155-H197 AromaticContact CD2-NE2 3.78Å; H155-H197 AromaticContact CE1-CD2 3.74Å; H155-H197 AromaticContact CE1-CG 3.75Å; H155-H197 AromaticContact NE2-CD2 3.39Å; H155-H197 PolarHBondContact NE2-CD2 2.85Å; H155-H197 AromaticContact NE2-CG 3.83Å; H155-H197 AromaticContact NE2-NE2 3.72Å; H155-M199 HydrophobicContact CB-CE 3.41Å; H155-M199 VanDerWaalsContact CB-CE 3.41Å; H155-M199 HydrophobicContact CB-SD 3.71Å
156E96.9Very high95.6Very high111 Ų11153 Ų5352%0.51928%0.276SS..Hα-helixtrans-59.8-45.5173.6-69.9169.1-165.400111.7N152 L153 L158 V159 A160 M199N152-E156 WeakPolarHBondContact O-CG 3.16Å; N152-E156 PolarHBondContact O-N 2.94Å; L153-E156 PolarHBondContact O-N 2.7Å; E156-L158 VanDerWaalsContact C-N 3.33Å; E156-L158 PolarHBondContact O-N 2.89Å; E156-V159 PolarHBondContact O-N 3.43Å; E156-A160 WeakPolarHBondContact O-CB 3.12Å; E156-A160 PolarHBondContact O-N 2.88Å; E156-M199 HydrophobicContact CG-CE 4.07Å
157K97.1Very high95.9Very high67 Ų6751.3 Ų51.329%0.29128%0.278SS..Hα-helixtrans-57.2-45.1173.9-179.1176.7174.3179.90111.4D107 N108 E109 L153 H154 A160 M161D107-K157 PolarHBondContact O-NZ 3.34Å; N108-K157 PolarHBondContact O-NZ 3.03Å; E109-K157 IonicContact OE1-NZ 2.91Å; E109-K157 PolarHBondContact OE1-NZ 3.38Å; E109-K157 IonicContact OE2-NZ 3.03Å; E109-K157 PolarHBondContact OE2-NZ 2.9Å; L153-K157 WeakPolarHBondContact O-CB 3.23Å; L153-K157 PolarHBondContact O-N 3.26Å; H154-K157 PolarHBondContact O-N 2.99Å; K157-A160 PolarHBondContact O-N 2.95Å; K157-M161 WeakPolarHBondContact O-CB 3.5Å; K157-M161 PolarHBondContact O-N 3.33Å
158L98.1Very high96.1Very high0 Ų057.6 Ų57.60%031%0.308CS..Hα-helixtrans-65.6-43178.8-176.549.6000112.3I99 L110 V121 F144 F147 H154 H155 E156 M161 L162 Y195I99-L158 HydrophobicContact CG1-CD2 4.3Å; L110-L158 HydrophobicContact CD1-CB 3.67Å; L110-L158 HydrophobicContact CD1-CD1 4.21Å; L110-L158 HydrophobicContact CD1-CG 4.35Å; V121-L158 HydrophobicContact CG1-CD1 3.71Å; F144-L158 HydrophobicContact CD1-CD2 3.85Å; F144-L158 HydrophobicContact CE1-CD1 3.99Å; F144-L158 HydrophobicContact CE1-CD2 3.79Å; F144-L158 HydrophobicContact CE1-CG 4.36Å; F144-L158 HydrophobicContact CZ-CD1 4.28Å; F147-L158 HydrophobicContact CE1-CD2 3.98Å; H154-L158 WeakPolarHBondContact O-CB 3.48Å; H154-L158 PolarHBondContact O-N 2.92Å; H155-L158 PolarHBondContact O-N 3.05Å; E156-L158 VanDerWaalsContact C-N 3.33Å; E156-L158 PolarHBondContact O-N 2.89Å; L158-M161 WeakPolarHBondContact O-CB 3.36Å; L158-M161 PolarHBondContact O-N 3.39Å; L158-L162 HydrophobicContact CD1-CG 4.36Å; L158-L162 HydrophobicContact CG-CD1 4.32Å; L158-L162 WeakPolarHBondContact O-CG 3.41Å; L158-L162 PolarHBondContact O-N 3.43Å; L158-Y195 HydrophobicContact CD2-CE2 3.82Å; L158-Y195 WeakPolarHBondContact CD2-OH 3.14Å; L158-Y195 HydrophobicContact CG-CE2 4.3Å
159V98.4Very high96.6Very high10 Ų1058 Ų586%0.06131%0.311CS..Hα-helixtrans-64-41.6176.7167.80000111.6H155 E156 M161 L162 K163 M199 V203 F205 L206H155-V159 WeakPolarHBondContact O-CG2 3.45Å; H155-V159 PolarHBondContact O-N 2.94Å; E156-V159 PolarHBondContact O-N 3.43Å; V159-M161 VanDerWaalsContact C-N 3.34Å; V159-L162 PolarHBondContact O-N 3.28Å; V159-K163 WeakPolarHBondContact O-CG 3.29Å; V159-K163 PolarHBondContact O-N 3.38Å; V159-K163 VanDerWaalsContact O-N 3.1Å; V159-M199 HydrophobicContact CB-SD 4.41Å; V159-M199 HydrophobicContact CG2-CG 4.39Å; V159-M199 HydrophobicContact CG2-SD 3.48Å; V159-M199 WeakPolarHBondContact CG2-SD 3.48Å; V159-V203 HydrophobicContact CG1-CG1 3.96Å; V159-V203 HydrophobicContact CG1-CG2 4.1Å; V159-V203 HydrophobicContact CG2-CG2 4.41Å; V159-F205 HydrophobicContact CG1-CZ 4.06Å; V159-L206 HydrophobicContact CG2-CD1 3.63Å
160A98.3Very high97.1Very high56 Ų5656.3 Ų56.346%0.46329%0.289SS..Hα-helixtrans-61.3-44.7174.300000111.2E156 K157 L162 K163 E164E156-A160 WeakPolarHBondContact O-CB 3.12Å; E156-A160 PolarHBondContact O-N 2.88Å; K157-A160 PolarHBondContact O-N 2.95Å; A160-L162 PolarHBondContact O-N 3.15Å; A160-K163 PolarHBondContact O-N 3.23Å; A160-E164 WeakPolarHBondContact O-CB 3.17Å; A160-E164 PolarHBondContact O-N 3.26Å
161M98.4Very high97.4Very high4 Ų455.2 Ų55.22%0.0228%0.283CS..Hα-helixtrans-60.9-44176.6-173.2-172.1-63.600112.2V121 R122 L125 K157 L158 V159 K163 E164 V165V121-M161 HydrophobicContact CB-SD 4.29Å; V121-M161 HydrophobicContact CG1-SD 4.05Å; R122-M161 VanDerWaalsContact CA-SD 3.6Å; R122-M161 HydrophobicContact CB-CE 4.03Å; R122-M161 HydrophobicContact CB-SD 3.75Å; L125-M161 HydrophobicContact CD1-CG 4.09Å; L125-M161 HydrophobicContact CD1-SD 3.99Å; K157-M161 WeakPolarHBondContact O-CB 3.5Å; K157-M161 PolarHBondContact O-N 3.33Å; L158-M161 WeakPolarHBondContact O-CB 3.36Å; L158-M161 PolarHBondContact O-N 3.39Å; V159-M161 VanDerWaalsContact C-N 3.34Å; M161-K163 PolarHBondContact O-N 3.15Å; M161-E164 PolarHBondContact O-N 3Å; M161-V165 HydrophobicContact CG-CG2 4.32Å; M161-V165 WeakPolarHBondContact O-CB 3.46Å; M161-V165 VanDerWaalsContact O-CG2 3.28Å; M161-V165 WeakPolarHBondContact O-CG2 3.46Å; M161-V165 PolarHBondContact O-N 3.15Å
162L98.8Very high97.6Very high0 Ų050.8 Ų50.80%027%0.265CS..Hα-helixtrans-59.5-45.4176-74.2166.1000111.8L125 F144 L158 V159 A160 F166 V193 F205 L206L125-L162 HydrophobicContact CD1-CD2 3.8Å; L125-L162 HydrophobicContact CD1-CG 4.36Å; L125-L162 HydrophobicContact CD2-CD2 4.32Å; F144-L162 HydrophobicContact CE2-CD1 4.22Å; F144-L162 HydrophobicContact CE2-CD2 3.97Å; F144-L162 HydrophobicContact CZ-CD1 4.42Å; F144-L162 HydrophobicContact CZ-CD2 3.94Å; L158-L162 HydrophobicContact CD1-CG 4.36Å; L158-L162 HydrophobicContact CG-CD1 4.32Å; L158-L162 WeakPolarHBondContact O-CG 3.41Å; L158-L162 PolarHBondContact O-N 3.43Å; V159-L162 PolarHBondContact O-N 3.28Å; A160-L162 PolarHBondContact O-N 3.15Å; L162-F166 HydrophobicContact CD2-CD2 3.98Å; L162-F166 HydrophobicContact CD2-CE2 3.75Å; L162-F166 PolarHBondContact O-N 3.35Å; L162-V193 HydrophobicContact CD1-CG1 4.04Å; L162-V193 HydrophobicContact CD2-CG2 4.39Å; L162-F205 HydrophobicContact CB-CE2 4.12Å; L162-F205 HydrophobicContact CB-CZ 4.34Å; L162-F205 HydrophobicContact CD1-CE2 4.29Å; L162-L206 HydrophobicContact CD1-CD2 4.17Å
163K98.5Very high97.8Very high111 Ų11148.5 Ų48.548%0.48326%0.255SS..Hα-helixtrans-61.9-43.9176.1-72.9176.7178.8177.40112V159 A160 M161 G167 L170 F205V159-K163 WeakPolarHBondContact O-CG 3.29Å; V159-K163 PolarHBondContact O-N 3.38Å; V159-K163 VanDerWaalsContact O-N 3.1Å; A160-K163 PolarHBondContact O-N 3.23Å; M161-K163 PolarHBondContact O-N 3.15Å; K163-G167 VanDerWaalsContact O-CA 3.25Å; K163-G167 WeakPolarHBondContact O-CA 3.28Å; K163-G167 PolarHBondContact O-N 2.93Å; K163-L170 HydrophobicContact CG-CD1 4.45Å; K163-F205 HydrophobicContact CD-CE1 4.08Å; K163-F205 HydrophobicContact CD-CZ 4.46Å; K163-F205 VanDerWaalsContact CE-CE1 3.42Å; K163-F205 HydrophobicContact CG-CE1 3.49Å; K163-F205 VanDerWaalsContact CG-CE1 3.49Å; K163-F205 HydrophobicContact CG-CZ 3.66Å
164E98.5Very high97.9Very high129 Ų12944.7 Ų44.760%0.60324%0.237SC*.Hα-helixtrans-63.6-45.5180-173.2-165.914400111.7R122 A160 M161R122-E164 IonicContact CZ-OE1 3.76Å; R122-E164 IonicContact CZ-OE2 3.82Å; R122-E164 IonicContact NH1-OE1 3.07Å; R122-E164 PolarHBondContact NH1-OE1 2.9Å; R122-E164 IonicContact NH1-OE2 3.05Å; R122-E164 IonicContact NH2-OE1 3.84Å; R122-E164 PolarHBondContact NH2-OE1 2.9Å; R122-E164 IonicContact NH2-OE2 2.77Å; R122-E164 PolarHBondContact NH2-OE2 3.04Å; A160-E164 WeakPolarHBondContact O-CB 3.17Å; A160-E164 PolarHBondContact O-N 3.26Å; M161-E164 PolarHBondContact O-N 3Å
165V98.6Very high97.8Very high20 Ų2051 Ų5112%0.12126%0.264CS..Hα-helixtrans-78.9-38.8-172.4174.20000112.9L125 T129 M161L125-V165 HydrophobicContact CB-CB 4.39Å; L125-V165 HydrophobicContact CB-CG1 3.83Å; L125-V165 HydrophobicContact CB-CG2 4.38Å; L125-V165 WeakPolarHBondContact O-CG1 3.37Å; T129-V165 HydrophobicContact CG2-CG1 3.73Å; T129-V165 PolarHBondContact OG1-O 2.85Å; M161-V165 HydrophobicContact CG-CG2 4.32Å; M161-V165 WeakPolarHBondContact O-CB 3.46Å; M161-V165 VanDerWaalsContact O-CG2 3.28Å; M161-V165 WeakPolarHBondContact O-CG2 3.46Å; M161-V165 PolarHBondContact O-N 3.15Å
166F98.7Very high97.6Very high5 Ų550.7 Ų50.72%0.02226%0.262CS..Hα-helixtrans-104.1-26.7-174.4-63-58.3000113.8L125 I128 L132 L142 L162 E168 K169 L170 V191L125-F166 HydrophobicContact CB-CE2 4.28Å; L125-F166 HydrophobicContact CB-CZ 4.09Å; L125-F166 HydrophobicContact CD1-CE2 4.37Å; L125-F166 HydrophobicContact CD2-CE2 3.86Å; L125-F166 HydrophobicContact CD2-CZ 3.93Å; L125-F166 HydrophobicContact CG-CE2 4.38Å; I128-F166 HydrophobicContact CB-CE1 4.27Å; I128-F166 HydrophobicContact CB-CZ 4.29Å; I128-F166 HydrophobicContact CG2-CE1 3.89Å; I128-F166 HydrophobicContact CG2-CZ 4.06Å; L132-F166 HydrophobicContact CD1-CD1 4.47Å; L132-F166 HydrophobicContact CD1-CE1 4.3Å; L142-F166 HydrophobicContact CD1-CE2 3.59Å; L142-F166 HydrophobicContact CD1-CZ 3.7Å; L162-F166 HydrophobicContact CD2-CD2 3.98Å; L162-F166 HydrophobicContact CD2-CE2 3.75Å; L162-F166 PolarHBondContact O-N 3.35Å; F166-E168 PolarHBondContact O-N 2.84Å; F166-K169 HydrophobicContact CB-CB 4.45Å; F166-K169 VanDerWaalsContact O-CB 3.28Å; F166-K169 WeakPolarHBondContact O-CB 3.42Å; F166-K169 WeakPolarHBondContact O-CG 3.5Å; F166-K169 PolarHBondContact O-N 2.96Å; F166-L170 HydrophobicContact CB-CD1 4.32Å; F166-L170 HydrophobicContact CB-CD2 3.85Å; F166-L170 HydrophobicContact CB-CG 3.72Å; F166-L170 HydrophobicContact CD2-CD2 4.04Å; F166-L170 HydrophobicContact CG-CD2 4.31Å; F166-V191 HydrophobicContact CB-CG2 4.38Å; F166-V191 HydrophobicContact CD1-CG2 3.67Å; F166-V191 HydrophobicContact CD2-CG1 4.25Å; F166-V191 HydrophobicContact CE1-CG2 4.01Å; F166-V191 HydrophobicContact CE2-CG1 4.28Å; F166-V191 HydrophobicContact CG-CG1 4.45Å; F166-V191 HydrophobicContact CG-CG2 3.95Å
167G98.1Very high97.4Very high37 Ų3749.5 Ų49.538%0.38126%0.257SS..G310 helixtrans51.8-124.9179.300000112.5K163 K169 L170K163-G167 VanDerWaalsContact O-CA 3.25Å; K163-G167 WeakPolarHBondContact O-CA 3.28Å; K163-G167 PolarHBondContact O-N 2.93Å; G167-K169 PolarHBondContact O-N 3.38Å; G167-L170 WeakPolarHBondContact O-CG 3.42Å; G167-L170 PolarHBondContact O-N 2.97Å
168E97.6Very high97.3Very high175 Ų17551.6 Ų51.682%0.81827%0.268SS*.G310 helixtrans-69.2-12.2-177.4-62-178161.400113.8F166 L170 Y189F166-E168 PolarHBondContact O-N 2.84Å; E168-L170 PolarHBondContact O-N 3.46Å; E168-Y189 VanDerWaalsContact O-CD1 3.29Å; E168-Y189 WeakPolarHBondContact O-CD1 3.49Å
169K98.8Very high97.3Very high54 Ų5451.6 Ų51.624%0.23527%0.268CS..G310 helixtrans-69.2-14.3175.3-62.5177.8176.262.60113L132 F166 G167 C171 Q190 V191L132-K169 HydrophobicContact CB-CD 4.42Å; F166-K169 HydrophobicContact CB-CB 4.45Å; F166-K169 VanDerWaalsContact O-CB 3.28Å; F166-K169 WeakPolarHBondContact O-CB 3.42Å; F166-K169 WeakPolarHBondContact O-CG 3.5Å; F166-K169 PolarHBondContact O-N 2.96Å; G167-K169 PolarHBondContact O-N 3.38Å; K169-C171 PolarHBondContact O-N 3.28Å; K169-Q190 HydrophobicContact CB-CB 4.21Å; K169-Q190 VanDerWaalsContact CD-OE1 3.26Å; K169-Q190 HydrophobicContact CG-CB 4.49Å; K169-Q190 PolarHBondContact O-N 3.29Å; K169-V191 HydrophobicContact CB-CG2 4.26Å; K169-V191 PolarHBondContact O-N 2.98Å
170L98.9Very high97.3Very high15 Ų1552.1 Ų52.18%0.07927%0.271CS..BIsolated β-bridgetrans-71.8116.8-179.8-69.4167.8000110.9K163 F166 G167 E168 V191 V193 F205K163-L170 HydrophobicContact CG-CD1 4.45Å; F166-L170 HydrophobicContact CB-CD1 4.32Å; F166-L170 HydrophobicContact CB-CD2 3.85Å; F166-L170 HydrophobicContact CB-CG 3.72Å; F166-L170 HydrophobicContact CD2-CD2 4.04Å; F166-L170 HydrophobicContact CG-CD2 4.31Å; G167-L170 WeakPolarHBondContact O-CG 3.42Å; G167-L170 PolarHBondContact O-N 2.97Å; E168-L170 PolarHBondContact O-N 3.46Å; L170-V191 HydrophobicContact CD2-CB 4.25Å; L170-V191 HydrophobicContact CD2-CG1 4.15Å; L170-V193 HydrophobicContact CD2-CG2 3.76Å; L170-F205 HydrophobicContact CB-CB 4.06Å; L170-F205 HydrophobicContact CB-CD2 4.37Å; L170-F205 HydrophobicContact CB-CG 4.11Å; L170-F205 HydrophobicContact CD1-CD1 4.05Å; L170-F205 HydrophobicContact CD1-CD2 3.94Å; L170-F205 HydrophobicContact CD1-CE1 4.01Å; L170-F205 HydrophobicContact CD1-CE2 3.92Å; L170-F205 HydrophobicContact CD1-CG 4.01Å; L170-F205 HydrophobicContact CD1-CZ 3.96Å; L170-F205 HydrophobicContact CD2-CD2 3.9Å; L170-F205 HydrophobicContact CD2-CE2 4.21Å; L170-F205 HydrophobicContact CD2-CG 4.48Å; L170-F205 HydrophobicContact CG-CD2 4.3Å; L170-F205 HydrophobicContact CG-CG 4.44Å
171C98.6Very high97.3Very high0 Ų049.5 Ų49.50%025%0.249CC..PPolyproline II helixtrans-75.4123.3175.4-174.60000110.4K169 L184 Y189 V191 L192 W207K169-C171 PolarHBondContact O-N 3.28Å; C171-L184 HydrophobicContact CB-CD2 4.19Å; C171-Y189 HydrophobicContact CB-CD2 4.21Å; C171-Y189 HydrophobicContact CB-CG 4.13Å; C171-V191 WeakPolarHBondContact CB-O 3.42Å; C171-V191 PolarHBondContact N-O 2.97Å; C171-L192 HydrophobicContact CB-CD1 4.05Å; C171-L192 HydrophobicContact CB-CG 3.98Å; C171-W207 PolarHBondContact O-NE1 3.07Å
172P98.1Very high97.3Very high39 Ų3954 Ų5425%0.25327%0.269SS..PPolyproline II helixtrans-64159.917229.9-34.6000111.2V174 Y189 P204 W207P172-V174 PolarHBondContact O-N 3.09Å; P172-Y189 VanDerWaalsContact CD-CZ 3.41Å; P172-Y189 HydrophobicContact CG-CE2 4.04Å; P172-P204 WeakPolarHBondContact CA-O 3.25Å; P172-W207 VanDerWaalsContact O-CZ2 3.29Å; P172-W207 WeakPolarHBondContact O-CZ2 3.22Å
173V97.2Very high97.3Very high56 Ų5656.5 Ų56.534%0.33928%0.278SS..PPolyproline II helixtrans-66.5123.5175.1-176.60000110P204 L206 W207 M211V173-P204 WeakPolarHBondContact CG2-O 3.48Å; V173-P204 PolarHBondContact N-O 3.37Å; V173-L206 VanDerWaalsContact CG2-O 3.28Å; V173-L206 WeakPolarHBondContact CG2-O 3.25Å; V173-W207 HydrophobicContact CG1-CD2 4.39Å; V173-W207 HydrophobicContact CG1-CE3 4.46Å; V173-W207 HydrophobicContact CG2-CB 4.36Å; V173-W207 HydrophobicContact CG2-CD2 4.31Å; V173-W207 HydrophobicContact CG2-CG 3.95Å; V173-M211 HydrophobicContact CG1-SD 4.11Å
174V95.3Very high97.3Very high34 Ų3451.2 Ų51.221%0.20626%0.255CS..  trans-137.8178.7173.2-62.20000109.4P172 A176 V179 Y183 W207P172-V174 PolarHBondContact O-N 3.09Å; V174-A176 PolarHBondContact O-N 3.01Å; V174-V179 HydrophobicContact CG2-CG2 3.56Å; V174-Y183 HydrophobicContact CG2-CE1 4.49Å; V174-W207 HydrophobicContact CG2-CH2 3.75Å; V174-W207 HydrophobicContact CG2-CZ2 3.99Å; V174-W207 WeakPolarHBondContact O-CH2 3.48Å; V174-W207 WeakPolarHBondContact O-CZ3 3.45Å
175F93.8Very high97.3Very high141 Ų14147.2 Ų47.262%0.61824%0.235SC*.  trans-66.4133.1174-63.8-69.6000110.4Q177 E178F175-Q177 PolarHBondContact O-N 3.33Å; F175-E178 HydrophobicContact CB-CG 4.17Å; F175-E178 WeakPolarHBondContact CD2-OE1 3.48Å; F175-E178 WeakPolarHBondContact O-CB 3.47Å; F175-E178 PolarHBondContact O-N 3.19Å
176A93.3Very high97.3Very high0 Ų052.6 Ų52.60%026%0.259CS..THydrogen-bonded Turntrans-57.1-26.5-177.900000113.2A29 V174 E178 G240 F242A29-A176 HydrophobicContact CB-CB 4.35Å; V174-A176 PolarHBondContact O-N 3.01Å; A176-E178 VanDerWaalsContact C-N 3.3Å; A176-E178 PolarHBondContact O-N 2.92Å; A176-G240 WeakPolarHBondContact CB-O 3.34Å; A176-F242 HydrophobicContact CB-CD2 4.12Å; A176-F242 HydrophobicContact CB-CE2 3.88Å; A176-F242 HydrophobicContact CB-CZ 4.34Å
177Q92.6Very high97.3Very high86 Ų8657.9 Ų57.940%0.40228%0.282SS..THydrogen-bonded Turntrans-71.2-22.4176.3-68.466.538.500113.2P27 F175P27-Q177 WeakPolarHBondContact CG-O 3.45Å; F175-Q177 PolarHBondContact O-N 3.33Å
178E94.7Very high97.3Very high111 Ų11163.4 Ų63.452%0.51930%0.298SS..THydrogen-bonded Turntrans-89.1-17.7179.7-64179.9-170.900112.1F175 A176 T180F175-E178 HydrophobicContact CB-CG 4.17Å; F175-E178 WeakPolarHBondContact CD2-OE1 3.48Å; F175-E178 WeakPolarHBondContact O-CB 3.47Å; F175-E178 PolarHBondContact O-N 3.19Å; A176-E178 VanDerWaalsContact C-N 3.3Å; A176-E178 PolarHBondContact O-N 2.92Å; E178-T180 PolarHBondContact O-N 3.41Å; E178-T180 VanDerWaalsContact O-N 3.08Å
179V97.6Very high97.4Very high0 Ų057.6 Ų57.60%027%0.269CS..  trans-74.9100.7178.8-173.80000109.5P27 L28 V174 L184 L192 W207 F242P27-V179 CarbonylContact C-O 3.6Å; P27-V179 VanDerWaalsContact CA-O 3.29Å; P27-V179 WeakPolarHBondContact CA-O 3.27Å; L28-V179 HydrophobicContact CB-CG1 4.33Å; L28-V179 HydrophobicContact CD1-CG1 4.4Å; L28-V179 WeakPolarHBondContact CD1-O 3.49Å; L28-V179 HydrophobicContact CD2-CG1 4.19Å; L28-V179 PolarHBondContact N-O 3.03Å; V174-V179 HydrophobicContact CG2-CG2 3.56Å; V179-L184 HydrophobicContact CG1-CD1 3.79Å; V179-L184 HydrophobicContact CG1-CD2 4.14Å; V179-L184 HydrophobicContact CG1-CG 4.08Å; V179-L192 HydrophobicContact CG1-CD2 4.04Å; V179-W207 HydrophobicContact CG2-CH2 3.48Å; V179-W207 VanDerWaalsContact CG2-CH2 3.48Å; V179-W207 HydrophobicContact CG2-CZ2 4.06Å; V179-W207 HydrophobicContact CG2-CZ3 4.44Å; V179-F242 HydrophobicContact CB-CZ 4.26Å; V179-F242 HydrophobicContact CG1-CZ 4.34Å; V179-F242 HydrophobicContact CG2-CZ 4.35Å
180T98.6Very high97.4Very high22 Ų2255.6 Ų55.614%0.13526%0.26CS..BIsolated β-bridgetrans-118.8160.8174.462.80000110.1T25 L28 E178 K182 Y183 L184T25-T180 VanDerWaalsContact O-CG2 3.28Å; T25-T180 WeakPolarHBondContact O-CG2 3.3Å; L28-T180 VanDerWaalsContact CD1-CA 3.49Å; E178-T180 PolarHBondContact O-N 3.41Å; E178-T180 VanDerWaalsContact O-N 3.08Å; T180-K182 VanDerWaalsContact C-N 3.26Å; T180-K182 PolarHBondContact O-N 2.68Å; T180-Y183 PolarHBondContact O-N 2.97Å; T180-Y183 VanDerWaalsContact OG1-CB 3.27Å; T180-Y183 WeakPolarHBondContact OG1-CB 3.36Å; T180-Y183 PolarHBondContact OG1-N 2.76Å; T180-Y183 VanDerWaalsContact OG1-N 3.07Å; T180-L184 WeakPolarHBondContact O-CG 3.36Å; T180-L184 PolarHBondContact O-N 2.87Å
181L98.8Very high97.4Very high0 Ų054.9 Ų54.90%026%0.256CS..Hα-helixtrans-58.9-42.9175.8-73.8176.4000110.6M16 L19 H24 L28 M31 V139 Y183 L184 W185M16-L181 HydrophobicContact CB-CD1 4.39Å; M16-L181 HydrophobicContact CB-CD2 4.12Å; M16-L181 HydrophobicContact CG-CD2 4.44Å; M16-L181 HydrophobicContact SD-CD2 4.11Å; L19-L181 HydrophobicContact CD1-CD1 3.75Å; H24-L181 PolarHBondContact O-N 3.04Å; L28-L181 HydrophobicContact CD1-CD2 4.16Å; L28-L181 HydrophobicContact CD1-CG 4Å; M31-L181 HydrophobicContact CE-CD1 3.92Å; M31-L181 HydrophobicContact CE-CG 4.47Å; M31-L181 HydrophobicContact SD-CD1 4.34Å; M31-L181 HydrophobicContact SD-CG 4.32Å; V139-L181 HydrophobicContact CG2-CD2 4.31Å; L181-Y183 PolarHBondContact O-N 3.39Å; L181-L184 PolarHBondContact O-N 3.48Å; L181-W185 HydrophobicContact CB-CD2 4.33Å; L181-W185 HydrophobicContact CB-CH2 4.03Å; L181-W185 HydrophobicContact CB-CZ2 3.81Å; L181-W185 HydrophobicContact CB-CZ3 4.37Å; L181-W185 HydrophobicContact CD1-CH2 4.13Å; L181-W185 HydrophobicContact CD1-CZ2 3.97Å; L181-W185 HydrophobicContact CD2-CZ2 4.08Å; L181-W185 HydrophobicContact CG-CZ2 4.18Å; L181-W185 WeakPolarHBondContact O-CB 3.26Å; L181-W185 VanDerWaalsContact O-CD2 3.29Å; L181-W185 PolarHBondContact O-N 2.75Å
182K98.7Very high97.4Very high98 Ų9854.9 Ų54.943%0.42626%0.256SS..Hα-helixtrans-56.4-50.2175.3-178.6178.5176.4-178.80111.8H24 T25 T180 L184 W185 E186H24-K182 HydrophobicContact CB-CB 4.38Å; H24-K182 WeakPolarHBondContact O-CB 3.49Å; H24-K182 PolarHBondContact O-N 3.33Å; T25-K182 HydrophobicContact CG2-CD 3.99Å; T180-K182 VanDerWaalsContact C-N 3.26Å; T180-K182 PolarHBondContact O-N 2.68Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-L184 PolarHBondContact O-N 3.08Å; K182-W185 PolarHBondContact O-N 3.44Å; K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 HydrophobicContact CG-CG 4.37Å; K182-E186 IonicContact NZ-OE1 3.43Å; K182-E186 WeakPolarHBondContact O-CB 3.31Å; K182-E186 VanDerWaalsContact O-CG 3.3Å; K182-E186 WeakPolarHBondContact O-CG 3.15Å; K182-E186 PolarHBondContact O-N 2.88Å
183Y98.6Very high97.4Very high53 Ų5353.1 Ų53.121%0.20825%0.245CC..Hα-helixtrans-57.1-47.6178165.9-99.7000111.6V174 T180 L181 K187 Y189V174-Y183 HydrophobicContact CG2-CE1 4.49Å; T180-Y183 PolarHBondContact O-N 2.97Å; T180-Y183 VanDerWaalsContact OG1-CB 3.27Å; T180-Y183 WeakPolarHBondContact OG1-CB 3.36Å; T180-Y183 PolarHBondContact OG1-N 2.76Å; T180-Y183 VanDerWaalsContact OG1-N 3.07Å; L181-Y183 PolarHBondContact O-N 3.39Å; Y183-K187 HydrophobicContact CD2-CG 4.26Å; Y183-K187 HydrophobicContact CE2-CG 3.98Å; Y183-K187 WeakPolarHBondContact O-CB 3.4Å; Y183-K187 VanDerWaalsContact O-CG 3.3Å; Y183-K187 WeakPolarHBondContact O-CG 3.36Å; Y183-K187 PolarHBondContact O-N 3.03Å; Y183-K187 VanDerWaalsContact O-N 3.16Å; Y183-Y189 HydrophobicContact CE1-CD2 4.16Å; Y183-Y189 HydrophobicContact CE1-CE2 4.46Å
184L98.8Very high97.5Very high0 Ų050.4 Ų50.40%023%0.229CC..Hα-helixtrans-65.6-43.6-177.9-67.4174.2000111.7L28 V139 C171 V179 T180 L181 K182 K187 E188 Y189 L192L28-L184 HydrophobicContact CD1-CD1 4.33Å; L28-L184 HydrophobicContact CD2-CD1 3.57Å; V139-L184 HydrophobicContact CB-CD1 4.23Å; V139-L184 HydrophobicContact CG1-CD1 3.63Å; V139-L184 HydrophobicContact CG2-CB 4.23Å; V139-L184 HydrophobicContact CG2-CD1 3.68Å; C171-L184 HydrophobicContact CB-CD2 4.19Å; V179-L184 HydrophobicContact CG1-CD1 3.79Å; V179-L184 HydrophobicContact CG1-CD2 4.14Å; V179-L184 HydrophobicContact CG1-CG 4.08Å; T180-L184 WeakPolarHBondContact O-CG 3.36Å; T180-L184 PolarHBondContact O-N 2.87Å; L181-L184 PolarHBondContact O-N 3.48Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-L184 PolarHBondContact O-N 3.08Å; L184-K187 CarbonylContact O-C 3.32Å; L184-K187 PolarHBondContact O-N 3.35Å; L184-E188 PolarHBondContact O-N 2.87Å; L184-Y189 HydrophobicContact CD2-CD2 4.26Å; L184-Y189 HydrophobicContact CD2-CG 4.49Å; L184-Y189 PolarHBondContact O-N 2.88Å; L184-L192 HydrophobicContact CD1-CD1 4.12Å; L184-L192 HydrophobicContact CD2-CD1 4.23Å
185W98.7Very high97.6Very high45 Ų4548.9 Ų48.917%0.1722%0.219CC..Hα-helixtrans-66.5-41.6178-59.3-20.1000112.9H24 K137 L181 K182 K187 E188H24-W185 HydrophobicContact CB-CZ3 4.37Å; H24-W185 AromaticContact CD2-CH2 3.77Å; H24-W185 AromaticContact CD2-CZ3 3.89Å; H24-W185 AromaticContact CE1-CZ3 3.75Å; H24-W185 AromaticContact CG-CZ3 3.71Å; H24-W185 AromaticContact ND1-CZ3 3.62Å; H24-W185 AromaticContact NE2-CH2 3.77Å; H24-W185 AromaticContact NE2-CZ3 3.92Å; K137-W185 HydrophobicContact CB-CD2 4.44Å; K137-W185 HydrophobicContact CB-CZ2 3.97Å; K137-W185 HydrophobicContact CD-CD2 4.33Å; K137-W185 HydrophobicContact CD-CE3 4.43Å; K137-W185 HydrophobicContact CD-CH2 4.42Å; K137-W185 HydrophobicContact CD-CZ2 4.31Å; K137-W185 HydrophobicContact CD-CZ3 4.48Å; K137-W185 HydrophobicContact CG-CD2 4.14Å; K137-W185 HydrophobicContact CG-CG 4.31Å; K137-W185 HydrophobicContact CG-CZ2 4.38Å; K137-W185 PolarHBondContact O-NE1 3Å; L181-W185 HydrophobicContact CB-CD2 4.33Å; L181-W185 HydrophobicContact CB-CH2 4.03Å; L181-W185 HydrophobicContact CB-CZ2 3.81Å; L181-W185 HydrophobicContact CB-CZ3 4.37Å; L181-W185 HydrophobicContact CD1-CH2 4.13Å; L181-W185 HydrophobicContact CD1-CZ2 3.97Å; L181-W185 HydrophobicContact CD2-CZ2 4.08Å; L181-W185 HydrophobicContact CG-CZ2 4.18Å; L181-W185 WeakPolarHBondContact O-CB 3.26Å; L181-W185 VanDerWaalsContact O-CD2 3.29Å; L181-W185 PolarHBondContact O-N 2.75Å; K182-W185 PolarHBondContact O-N 3.44Å; W185-K187 PolarHBondContact O-N 2.87Å; W185-E188 PolarHBondContact O-N 3.14Å
186E98.4Very high97.8Very high133 Ų13345.5 Ų45.562%0.62121%0.205SC*.Hα-helixtrans-65.2-24.2176.9-74.7177172.400112.8K182K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 HydrophobicContact CG-CG 4.37Å; K182-E186 IonicContact NZ-OE1 3.43Å; K182-E186 WeakPolarHBondContact O-CB 3.31Å; K182-E186 VanDerWaalsContact O-CG 3.3Å; K182-E186 WeakPolarHBondContact O-CG 3.15Å; K182-E186 PolarHBondContact O-N 2.88Å
187K98.4Very high98Very high116 Ų11648 Ų4850%0.50422%0.217SC..THydrogen-bonded Turntrans-100.50.2177.3-64-62.4-177.1-176.10114Y183 L184 W185 Y189Y183-K187 HydrophobicContact CD2-CG 4.26Å; Y183-K187 HydrophobicContact CE2-CG 3.98Å; Y183-K187 WeakPolarHBondContact O-CB 3.4Å; Y183-K187 VanDerWaalsContact O-CG 3.3Å; Y183-K187 WeakPolarHBondContact O-CG 3.36Å; Y183-K187 PolarHBondContact O-N 3.03Å; Y183-K187 VanDerWaalsContact O-N 3.16Å; L184-K187 CarbonylContact O-C 3.32Å; L184-K187 PolarHBondContact O-N 3.35Å; W185-K187 PolarHBondContact O-N 2.87Å; K187-Y189 HydrophobicContact CB-CD1 4.41Å; K187-Y189 HydrophobicContact CB-CD2 3.41Å; K187-Y189 VanDerWaalsContact CB-CD2 3.41Å; K187-Y189 HydrophobicContact CB-CE1 4.43Å; K187-Y189 HydrophobicContact CB-CE2 3.43Å; K187-Y189 VanDerWaalsContact CB-CE2 3.43Å; K187-Y189 HydrophobicContact CB-CG 3.93Å; K187-Y189 HydrophobicContact CG-CD2 4.2Å; K187-Y189 HydrophobicContact CG-CE2 3.91Å; K187-Y189 PolarHBondContact O-N 3.49Å
188E98.3Very high98.2Very high153 Ų15348 Ų4872%0.71522%0.224SC*.THydrogen-bonded Turntrans56.228.1-175.3-56-176.6103.500113.4L184 W185L184-E188 PolarHBondContact O-N 2.87Å; W185-E188 PolarHBondContact O-N 3.14Å
189Y98.8Very high98.2Very high53 Ų5343.7 Ų43.721%0.20820%0.204CC..  trans-85.1138.2172.9-62-32.7000110.8E168 C171 P172 Y183 L184 K187E168-Y189 VanDerWaalsContact O-CD1 3.29Å; E168-Y189 WeakPolarHBondContact O-CD1 3.49Å; C171-Y189 HydrophobicContact CB-CD2 4.21Å; C171-Y189 HydrophobicContact CB-CG 4.13Å; P172-Y189 VanDerWaalsContact CD-CZ 3.41Å; P172-Y189 HydrophobicContact CG-CE2 4.04Å; Y183-Y189 HydrophobicContact CE1-CD2 4.16Å; Y183-Y189 HydrophobicContact CE1-CE2 4.46Å; L184-Y189 HydrophobicContact CD2-CD2 4.26Å; L184-Y189 HydrophobicContact CD2-CG 4.49Å; L184-Y189 PolarHBondContact O-N 2.88Å; K187-Y189 HydrophobicContact CB-CD1 4.41Å; K187-Y189 HydrophobicContact CB-CD2 3.41Å; K187-Y189 VanDerWaalsContact CB-CD2 3.41Å; K187-Y189 HydrophobicContact CB-CE1 4.43Å; K187-Y189 HydrophobicContact CB-CE2 3.43Å; K187-Y189 VanDerWaalsContact CB-CE2 3.43Å; K187-Y189 HydrophobicContact CB-CG 3.93Å; K187-Y189 HydrophobicContact CG-CD2 4.2Å; K187-Y189 HydrophobicContact CG-CE2 3.91Å; K187-Y189 PolarHBondContact O-N 3.49Å
190Q98.9Very high98.2Very high13 Ų1344 Ų446%0.06121%0.207CC..  trans-134.8-10179.1-61.1-175-90.300113.6L132 H135 A136 E138 V139 V140 K169L132-Q190 HydrophobicContact CD1-CB 4.08Å; L132-Q190 HydrophobicContact CD2-CB 4.12Å; L132-Q190 PolarHBondContact O-NE2 3.04Å; L132-Q190 PolarHBondContact O-OE1 3.25Å; H135-Q190 PolarHBondContact O-NE2 3Å; H135-Q190 VanDerWaalsContact O-NE2 3.11Å; A136-Q190 PolarHBondContact O-NE2 3.48Å; E138-Q190 PolarHBondContact O-NE2 3.38Å; E138-Q190 VanDerWaalsContact O-NE2 3.15Å; V139-Q190 CarbonylContact C-O 3.51Å; V139-Q190 VanDerWaalsContact CA-O 3.3Å; V139-Q190 WeakPolarHBondContact CA-O 3.22Å; V140-Q190 PolarHBondContact N-O 3.22Å; K169-Q190 HydrophobicContact CB-CB 4.21Å; K169-Q190 VanDerWaalsContact CD-OE1 3.26Å; K169-Q190 HydrophobicContact CG-CB 4.49Å; K169-Q190 PolarHBondContact O-N 3.29Å
191V98.9Very high98.1Very high0 Ų049.6 Ų49.60%024%0.235CC..EExtended strand (participates in β ladder)trans-130.1119.1-172.6-172.70000110.9L132 V140 L142 F166 K169 L170 C171 V193L132-V191 HydrophobicContact CD1-CG2 3.42Å; L132-V191 VanDerWaalsContact CD1-CG2 3.42Å; V140-V191 HydrophobicContact CG2-CB 4.4Å; V140-V191 HydrophobicContact CG2-CG1 4.26Å; V140-V191 HydrophobicContact CG2-CG2 3.95Å; L142-V191 HydrophobicContact CD1-CG1 3.74Å; L142-V191 HydrophobicContact CG-CG1 4.04Å; F166-V191 HydrophobicContact CB-CG2 4.38Å; F166-V191 HydrophobicContact CD1-CG2 3.67Å; F166-V191 HydrophobicContact CD2-CG1 4.25Å; F166-V191 HydrophobicContact CE1-CG2 4.01Å; F166-V191 HydrophobicContact CE2-CG1 4.28Å; F166-V191 HydrophobicContact CG-CG1 4.45Å; F166-V191 HydrophobicContact CG-CG2 3.95Å; K169-V191 HydrophobicContact CB-CG2 4.26Å; K169-V191 PolarHBondContact O-N 2.98Å; L170-V191 HydrophobicContact CD2-CB 4.25Å; L170-V191 HydrophobicContact CD2-CG1 4.15Å; C171-V191 WeakPolarHBondContact CB-O 3.42Å; C171-V191 PolarHBondContact N-O 2.97Å; V191-V193 HydrophobicContact CG1-CG2 3.78Å
192L98.9Very high97.9Very high0 Ų057.1 Ų57.10%027%0.271CS..EExtended strand (participates in β ladder)trans-102.6124166.8-74.178.7000108.7V139 V140 F141 L142 C171 V179 L184 F194 W207 F242V139-L192 HydrophobicContact CG1-CD1 3.65Å; V140-L192 PolarHBondContact O-N 3.33Å; F141-L192 WeakPolarHBondContact CA-O 3.42Å; F141-L192 HydrophobicContact CD1-CB 4.28Å; F141-L192 HydrophobicContact CD1-CD2 4.47Å; F141-L192 HydrophobicContact CE1-CD2 3.94Å; L142-L192 PolarHBondContact N-O 2.92Å; C171-L192 HydrophobicContact CB-CD1 4.05Å; C171-L192 HydrophobicContact CB-CG 3.98Å; V179-L192 HydrophobicContact CG1-CD2 4.04Å; L184-L192 HydrophobicContact CD1-CD1 4.12Å; L184-L192 HydrophobicContact CD2-CD1 4.23Å; L192-F194 HydrophobicContact CB-CE2 3.79Å; L192-F194 HydrophobicContact CB-CZ 4.41Å; L192-F194 HydrophobicContact CD2-CE2 4.45Å; L192-F194 HydrophobicContact CD2-CZ 4.33Å; L192-W207 HydrophobicContact CD2-CH2 4.38Å; L192-W207 HydrophobicContact CD2-CZ2 3.99Å; L192-F242 HydrophobicContact CD2-CE2 4.07Å; L192-F242 HydrophobicContact CD2-CZ 3.81Å
193V98.8Very high97.9Very high1 Ų153.4 Ų53.41%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-110.3112.1-177.5-175.70000109.7L142 F144 L162 L170 V191 Y195 F205 L206 W207L142-V193 CarbonylContact O-C 3.46Å; L142-V193 WeakPolarHBondContact O-CA 3.13Å; F144-V193 HydrophobicContact CD2-CG1 3.64Å; F144-V193 HydrophobicContact CE2-CG1 3.71Å; L162-V193 HydrophobicContact CD1-CG1 4.04Å; L162-V193 HydrophobicContact CD2-CG2 4.39Å; L170-V193 HydrophobicContact CD2-CG2 3.76Å; V191-V193 HydrophobicContact CG1-CG2 3.78Å; V193-Y195 HydrophobicContact CG1-CD2 4.44Å; V193-F205 HydrophobicContact CG2-CD2 4.47Å; V193-L206 HydrophobicContact CB-CD2 4Å; V193-L206 HydrophobicContact CG1-CD2 3.5Å; V193-L206 VanDerWaalsContact CG1-CD2 3.5Å; V193-W207 WeakPolarHBondContact O-CB 3.29Å; V193-W207 PolarHBondContact O-N 3.32Å
194F98.6Very high97.8Very high0 Ų055.6 Ų55.60%028%0.277CS..EExtended strand (participates in β ladder)trans-93.3135.2172-61.1-94000109.2F141 L142 D143 F144 L192 W207 M211 M212 F242F141-F194 AromaticContact CD1-CE2 3.67Å; F141-F194 HydrophobicContact CD1-CE2 3.67Å; F141-F194 HydrophobicContact CD1-CZ 4.31Å; F141-F194 HydrophobicContact CE1-CE2 4.35Å; L142-F194 PolarHBondContact O-N 3.49Å; D143-F194 HydrophobicContact CB-CB 4.41Å; F144-F194 WeakPolarHBondContact CB-O 3.49Å; F144-F194 PolarHBondContact N-O 2.79Å; L192-F194 HydrophobicContact CB-CE2 3.79Å; L192-F194 HydrophobicContact CB-CZ 4.41Å; L192-F194 HydrophobicContact CD2-CE2 4.45Å; L192-F194 HydrophobicContact CD2-CZ 4.33Å; F194-W207 WeakPolarHBondContact CA-O 3.43Å; F194-W207 HydrophobicContact CD1-CB 3.53Å; F194-W207 HydrophobicContact CD1-CG 4.36Å; F194-W207 HydrophobicContact CE1-CB 3.66Å; F194-W207 HydrophobicContact CE1-CD2 4.11Å; F194-W207 AromaticContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CG 4.06Å; F194-W207 HydrophobicContact CG-CB 4.09Å; F194-W207 HydrophobicContact CZ-CB 4.27Å; F194-W207 HydrophobicContact CZ-CD2 4.15Å; F194-W207 HydrophobicContact CZ-CE3 4.07Å; F194-W207 HydrophobicContact CZ-CG 4.24Å; F194-M211 HydrophobicContact CD1-CB 4.38Å; F194-M211 HydrophobicContact CE1-CB 4.09Å; F194-M212 HydrophobicContact CB-CB 4.27Å; F194-M212 HydrophobicContact CD1-CB 3.56Å; F194-M212 HydrophobicContact CD1-CE 3.98Å; F194-M212 HydrophobicContact CD1-CG 4.45Å; F194-M212 HydrophobicContact CD2-CE 3.56Å; F194-M212 HydrophobicContact CE1-CB 4.09Å; F194-M212 HydrophobicContact CE1-CE 3.69Å; F194-M212 HydrophobicContact CE2-CE 3.31Å; F194-M212 HydrophobicContact CG-CB 3.89Å; F194-M212 HydrophobicContact CG-CE 3.92Å; F194-M212 HydrophobicContact CG-CG 4.4Å; F194-M212 HydrophobicContact CZ-CE 3.37Å; F194-F242 AromaticContact CE1-CD2 3.7Å; F194-F242 HydrophobicContact CE1-CD2 3.7Å; F194-F242 HydrophobicContact CE1-CE2 4.21Å; F194-F242 AromaticContact CZ-CD2 3.4Å; F194-F242 HydrophobicContact CZ-CD2 3.4Å; F194-F242 VanDerWaalsContact CZ-CD2 3.4Å; F194-F242 AromaticContact CZ-CE2 3.64Å; F194-F242 HydrophobicContact CZ-CE2 3.64Å; F194-F242 HydrophobicContact CZ-CG 4.15Å
195Y98.5Very high97.8Very high1 Ų156.5 Ų56.50%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-139.3112.4-167.3-151.6-95.8000111.2F144 F147 H155 L158 V193 H197 M199 L206 W207 G209F144-Y195 HydrophobicContact CB-CD2 3.75Å; F144-Y195 HydrophobicContact CB-CE2 4.08Å; F144-Y195 HydrophobicContact CD2-CD2 4.09Å; F144-Y195 HydrophobicContact CD2-CE2 4.45Å; F144-Y195 AromaticContact CG-CD2 4Å; F144-Y195 HydrophobicContact CG-CD2 4Å; F144-Y195 HydrophobicContact CG-CE2 4.12Å; F147-Y195 HydrophobicContact CE1-CE1 4.35Å; F147-Y195 AromaticContact CE1-CE2 3.95Å; F147-Y195 HydrophobicContact CE1-CE2 3.95Å; F147-Y195 AromaticContact CE1-CZ 3.73Å; F147-Y195 HydrophobicContact CE2-CD1 4.41Å; F147-Y195 HydrophobicContact CE2-CE1 4.21Å; F147-Y195 HydrophobicContact CZ-CD1 4.07Å; F147-Y195 AromaticContact CZ-CD2 3.92Å; F147-Y195 HydrophobicContact CZ-CD2 3.92Å; F147-Y195 AromaticContact CZ-CE1 3.66Å; F147-Y195 HydrophobicContact CZ-CE1 3.66Å; F147-Y195 AromaticContact CZ-CE2 3.52Å; F147-Y195 HydrophobicContact CZ-CE2 3.52Å; F147-Y195 HydrophobicContact CZ-CG 4.19Å; F147-Y195 AromaticContact CZ-CZ 3.37Å; H155-Y195 AromaticContact ND1-CE1 3.58Å; H155-Y195 AromaticContact ND1-CZ 3.57Å; H155-Y195 PolarHBondContact ND1-OH 2.72Å; L158-Y195 HydrophobicContact CD2-CE2 3.82Å; L158-Y195 WeakPolarHBondContact CD2-OH 3.14Å; L158-Y195 HydrophobicContact CG-CE2 4.3Å; V193-Y195 HydrophobicContact CG1-CD2 4.44Å; Y195-H197 HydrophobicContact CD1-CB 3.78Å; Y195-H197 HydrophobicContact CE1-CB 3.72Å; Y195-H197 PolarHBondContact O-N 2.84Å; Y195-M199 HydrophobicContact CE1-CB 4.44Å; Y195-L206 HydrophobicContact CD1-CD1 3.89Å; Y195-L206 HydrophobicContact CD2-CD1 4.16Å; Y195-L206 HydrophobicContact CD2-CD2 3.97Å; Y195-L206 HydrophobicContact CE1-CD1 4.27Å; Y195-L206 HydrophobicContact CG-CD1 3.82Å; Y195-L206 HydrophobicContact CG-CD2 4.16Å; Y195-L206 HydrophobicContact CG-CG 4.44Å; Y195-W207 PolarHBondContact N-O 3.34Å; Y195-G209 PolarHBondContact O-N 2.99Å
196H97.3Very high97.8Very high71 Ų7154.4 Ų54.433%0.32927%0.273SS..  trans-86.453.5-175.4-73.9-114.1000112.6D143 F144 N145 F147 G209D143-H196 IonicContact OD1-CD2 3.62Å; D143-H196 PolarHBondContact OD1-CD2 2.99Å; D143-H196 IonicContact OD1-NE2 3.22Å; D143-H196 PolarHBondContact OD1-NE2 3.11Å; F144-H196 PolarHBondContact O-N 3.47Å; F144-H196 VanDerWaalsContact O-N 3.15Å; N145-H196 VanDerWaalsContact O-CB 3.27Å; N145-H196 WeakPolarHBondContact O-CB 3.43Å; F147-H196 HydrophobicContact CE2-CB 4.4Å; H196-G209 VanDerWaalsContact NE2-CA 3.26Å; H196-G209 WeakPolarHBondContact NE2-CA 3.39Å
197H97.2Very high97.8Very high52 Ų5248 Ų4824%0.24124%0.243CC..SBendtrans-151.6148.7177.3-178-93.6000110.4F147 H155 Y195 M199 A200F147-H197 HydrophobicContact CE2-CB 4.23Å; H155-H197 AromaticContact CD2-CD2 3.91Å; H155-H197 AromaticContact CD2-CE1 3.94Å; H155-H197 AromaticContact CD2-NE2 3.78Å; H155-H197 AromaticContact CE1-CD2 3.74Å; H155-H197 AromaticContact CE1-CG 3.75Å; H155-H197 AromaticContact NE2-CD2 3.39Å; H155-H197 PolarHBondContact NE2-CD2 2.85Å; H155-H197 AromaticContact NE2-CG 3.83Å; H155-H197 AromaticContact NE2-NE2 3.72Å; Y195-H197 HydrophobicContact CD1-CB 3.78Å; Y195-H197 HydrophobicContact CE1-CB 3.72Å; Y195-H197 PolarHBondContact O-N 2.84Å; H197-M199 VanDerWaalsContact ND1-CB 3.29Å; H197-M199 WeakPolarHBondContact ND1-CB 3.44Å; H197-M199 PolarHBondContact ND1-N 2.61Å; H197-M199 VanDerWaalsContact ND1-N 3.16Å; H197-M199 PolarHBondContact O-N 2.99Å; H197-A200 WeakPolarHBondContact O-CB 3.36Å; H197-A200 PolarHBondContact O-N 3.02Å
198P96.4Very high97.7Very high87 Ų8743.6 Ų43.657%0.56523%0.226SC*.G310 helixtrans-52.8-23.2-179.7-30.837.2000116A200 L201P198-A200 PolarHBondContact O-N 3.27Å; P198-L201 WeakPolarHBondContact O-CB 3.31Å; P198-L201 PolarHBondContact O-N 3.33Å
199M95.7Very high97.5Very high19 Ų1936.4 Ų36.49%0.09419%0.193CC..G310 helixtrans-54.3-23.9172.6-175.1173-70.900113.4H155 E156 V159 Y195 H197 L201 E202 V203 L206H155-M199 HydrophobicContact CB-CE 3.41Å; H155-M199 VanDerWaalsContact CB-CE 3.41Å; H155-M199 HydrophobicContact CB-SD 3.71Å; E156-M199 HydrophobicContact CG-CE 4.07Å; V159-M199 HydrophobicContact CB-SD 4.41Å; V159-M199 HydrophobicContact CG2-CG 4.39Å; V159-M199 HydrophobicContact CG2-SD 3.48Å; V159-M199 WeakPolarHBondContact CG2-SD 3.48Å; Y195-M199 HydrophobicContact CE1-CB 4.44Å; H197-M199 VanDerWaalsContact ND1-CB 3.29Å; H197-M199 WeakPolarHBondContact ND1-CB 3.44Å; H197-M199 PolarHBondContact ND1-N 2.61Å; H197-M199 VanDerWaalsContact ND1-N 3.16Å; H197-M199 PolarHBondContact O-N 2.99Å; M199-L201 PolarHBondContact O-N 3.41Å; M199-E202 PolarHBondContact O-N 2.85Å; M199-V203 HydrophobicContact CG-CG2 3.81Å; M199-V203 PolarHBondContact O-N 3.19Å; M199-V203 VanDerWaalsContact O-N 3.13Å; M199-L206 HydrophobicContact CG-CD1 4.21Å
200A96.8Very high97.3Very high7 Ų741.1 Ų41.16%0.05822%0.217CC..G310 helixtrans-60.8-22.817300000113.6H197 P198 E202 L206 P208H197-A200 WeakPolarHBondContact O-CB 3.36Å; H197-A200 PolarHBondContact O-N 3.02Å; P198-A200 PolarHBondContact O-N 3.27Å; A200-E202 VanDerWaalsContact C-N 3.3Å; A200-L206 HydrophobicContact CB-CB 4.11Å; A200-L206 VanDerWaalsContact O-O 3.04Å; A200-P208 HydrophobicContact CB-CB 4.42Å; A200-P208 HydrophobicContact CB-CG 4.34Å
201L95.7Very high97.1Very high140 Ų14042 Ų4273%0.73322%0.222SC*.G310 helixtrans-81-13.6176.8-57.4176.5000112.8P198 M199 P208P198-L201 WeakPolarHBondContact O-CB 3.31Å; P198-L201 PolarHBondContact O-N 3.33Å; M199-L201 PolarHBondContact O-N 3.41Å; L201-P208 HydrophobicContact CD2-CG 4.12Å
202E95.6Very high96.9Very high158 Ų15842.1 Ų42.174%0.73822%0.222SC*.THydrogen-bonded Turntrans-108.6-27.1-173.7-60.8179.3-176.500112.5M199 A200M199-E202 PolarHBondContact O-N 2.85Å; A200-E202 VanDerWaalsContact C-N 3.3Å
203V97.9Very high96.6Very high20 Ų2044.3 Ų44.312%0.12124%0.237CC..SBendtrans-104117.9-175.5-178.60000110.4V159 M199 F205 L206V159-V203 HydrophobicContact CG1-CG1 3.96Å; V159-V203 HydrophobicContact CG1-CG2 4.1Å; V159-V203 HydrophobicContact CG2-CG2 4.41Å; M199-V203 HydrophobicContact CG-CG2 3.81Å; M199-V203 PolarHBondContact O-N 3.19Å; M199-V203 VanDerWaalsContact O-N 3.13Å; V203-F205 VanDerWaalsContact C-N 3.27Å; V203-F205 HydrophobicContact CG1-CD1 3.84Å; V203-F205 HydrophobicContact CG1-CE1 3.48Å; V203-F205 VanDerWaalsContact CG1-CE1 3.48Å; V203-F205 HydrophobicContact CG1-CE2 4.28Å; V203-F205 HydrophobicContact CG1-CG 4.38Å; V203-F205 HydrophobicContact CG1-CZ 3.72Å; V203-F205 PolarHBondContact O-N 3.24Å; V203-L206 HydrophobicContact CB-CB 4.17Å; V203-L206 HydrophobicContact CB-CD1 3.79Å; V203-L206 HydrophobicContact CB-CG 3.81Å; V203-L206 HydrophobicContact CG1-CB 4.46Å; V203-L206 HydrophobicContact CG1-CD1 4.12Å; V203-L206 HydrophobicContact CG1-CG 3.78Å; V203-L206 HydrophobicContact CG2-CD1 4.12Å; V203-L206 PolarHBondContact O-N 3Å
204P97.3Very high96.3Very high99 Ų9945.6 Ų45.664%0.64325%0.247SC*.THydrogen-bonded Turntrans-61.2-20.9-167.4-28.935.4000117.8P172 V173P172-P204 WeakPolarHBondContact CA-O 3.25Å; V173-P204 WeakPolarHBondContact CG2-O 3.48Å; V173-P204 PolarHBondContact N-O 3.37Å
205F98.4Very high96.1Very high19 Ų1947.6 Ų47.68%0.08326%0.26CS..THydrogen-bonded Turntrans-103.1-0.7178.666.9-98.7000113.7V159 L162 K163 L170 V193 V203V159-F205 HydrophobicContact CG1-CZ 4.06Å; L162-F205 HydrophobicContact CB-CE2 4.12Å; L162-F205 HydrophobicContact CB-CZ 4.34Å; L162-F205 HydrophobicContact CD1-CE2 4.29Å; K163-F205 HydrophobicContact CD-CE1 4.08Å; K163-F205 HydrophobicContact CD-CZ 4.46Å; K163-F205 VanDerWaalsContact CE-CE1 3.42Å; K163-F205 HydrophobicContact CG-CE1 3.49Å; K163-F205 VanDerWaalsContact CG-CE1 3.49Å; K163-F205 HydrophobicContact CG-CZ 3.66Å; L170-F205 HydrophobicContact CB-CB 4.06Å; L170-F205 HydrophobicContact CB-CD2 4.37Å; L170-F205 HydrophobicContact CB-CG 4.11Å; L170-F205 HydrophobicContact CD1-CD1 4.05Å; L170-F205 HydrophobicContact CD1-CD2 3.94Å; L170-F205 HydrophobicContact CD1-CE1 4.01Å; L170-F205 HydrophobicContact CD1-CE2 3.92Å; L170-F205 HydrophobicContact CD1-CG 4.01Å; L170-F205 HydrophobicContact CD1-CZ 3.96Å; L170-F205 HydrophobicContact CD2-CD2 3.9Å; L170-F205 HydrophobicContact CD2-CE2 4.21Å; L170-F205 HydrophobicContact CD2-CG 4.48Å; L170-F205 HydrophobicContact CG-CD2 4.3Å; L170-F205 HydrophobicContact CG-CG 4.44Å; V193-F205 HydrophobicContact CG2-CD2 4.47Å; V203-F205 VanDerWaalsContact C-N 3.27Å; V203-F205 HydrophobicContact CG1-CD1 3.84Å; V203-F205 HydrophobicContact CG1-CE1 3.48Å; V203-F205 VanDerWaalsContact CG1-CE1 3.48Å; V203-F205 HydrophobicContact CG1-CE2 4.28Å; V203-F205 HydrophobicContact CG1-CG 4.38Å; V203-F205 HydrophobicContact CG1-CZ 3.72Å; V203-F205 PolarHBondContact O-N 3.24Å
206L98.6Very high95.7Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-90107.5175.5-68.4-170.2000109.2V159 L162 V173 V193 Y195 M199 A200 V203 P208V159-L206 HydrophobicContact CG2-CD1 3.63Å; L162-L206 HydrophobicContact CD1-CD2 4.17Å; V173-L206 VanDerWaalsContact CG2-O 3.28Å; V173-L206 WeakPolarHBondContact CG2-O 3.25Å; V193-L206 HydrophobicContact CB-CD2 4Å; V193-L206 HydrophobicContact CG1-CD2 3.5Å; V193-L206 VanDerWaalsContact CG1-CD2 3.5Å; Y195-L206 HydrophobicContact CD1-CD1 3.89Å; Y195-L206 HydrophobicContact CD2-CD1 4.16Å; Y195-L206 HydrophobicContact CD2-CD2 3.97Å; Y195-L206 HydrophobicContact CE1-CD1 4.27Å; Y195-L206 HydrophobicContact CG-CD1 3.82Å; Y195-L206 HydrophobicContact CG-CD2 4.16Å; Y195-L206 HydrophobicContact CG-CG 4.44Å; M199-L206 HydrophobicContact CG-CD1 4.21Å; A200-L206 HydrophobicContact CB-CB 4.11Å; A200-L206 VanDerWaalsContact O-O 3.04Å; V203-L206 HydrophobicContact CB-CB 4.17Å; V203-L206 HydrophobicContact CB-CD1 3.79Å; V203-L206 HydrophobicContact CB-CG 3.81Å; V203-L206 HydrophobicContact CG1-CB 4.46Å; V203-L206 HydrophobicContact CG1-CD1 4.12Å; V203-L206 HydrophobicContact CG1-CG 3.78Å; V203-L206 HydrophobicContact CG2-CD1 4.12Å; V203-L206 PolarHBondContact O-N 3Å; L206-P208 WeakPolarHBondContact O-CD 3.44Å
207W98.1Very high95.4Very high0 Ų051.2 Ų51.20%028%0.276CS..EExtended strand (participates in β ladder)trans-70.8126174.5-65.961.9000109C171 P172 V173 V174 V179 L192 V193 F194 Y195 G209 M211 F242C171-W207 PolarHBondContact O-NE1 3.07Å; P172-W207 VanDerWaalsContact O-CZ2 3.29Å; P172-W207 WeakPolarHBondContact O-CZ2 3.22Å; V173-W207 HydrophobicContact CG1-CD2 4.39Å; V173-W207 HydrophobicContact CG1-CE3 4.46Å; V173-W207 HydrophobicContact CG2-CB 4.36Å; V173-W207 HydrophobicContact CG2-CD2 4.31Å; V173-W207 HydrophobicContact CG2-CG 3.95Å; V174-W207 HydrophobicContact CG2-CH2 3.75Å; V174-W207 HydrophobicContact CG2-CZ2 3.99Å; V174-W207 WeakPolarHBondContact O-CH2 3.48Å; V174-W207 WeakPolarHBondContact O-CZ3 3.45Å; V179-W207 HydrophobicContact CG2-CH2 3.48Å; V179-W207 VanDerWaalsContact CG2-CH2 3.48Å; V179-W207 HydrophobicContact CG2-CZ2 4.06Å; V179-W207 HydrophobicContact CG2-CZ3 4.44Å; L192-W207 HydrophobicContact CD2-CH2 4.38Å; L192-W207 HydrophobicContact CD2-CZ2 3.99Å; V193-W207 WeakPolarHBondContact O-CB 3.29Å; V193-W207 PolarHBondContact O-N 3.32Å; F194-W207 WeakPolarHBondContact CA-O 3.43Å; F194-W207 HydrophobicContact CD1-CB 3.53Å; F194-W207 HydrophobicContact CD1-CG 4.36Å; F194-W207 HydrophobicContact CE1-CB 3.66Å; F194-W207 HydrophobicContact CE1-CD2 4.11Å; F194-W207 AromaticContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CG 4.06Å; F194-W207 HydrophobicContact CG-CB 4.09Å; F194-W207 HydrophobicContact CZ-CB 4.27Å; F194-W207 HydrophobicContact CZ-CD2 4.15Å; F194-W207 HydrophobicContact CZ-CE3 4.07Å; F194-W207 HydrophobicContact CZ-CG 4.24Å; Y195-W207 PolarHBondContact N-O 3.34Å; W207-G209 PolarHBondContact O-N 3.1Å; W207-M211 HydrophobicContact CE3-CE 3.53Å; W207-M211 HydrophobicContact CE3-SD 3.79Å; W207-M211 HydrophobicContact CZ3-CE 3.47Å; W207-M211 VanDerWaalsContact CZ3-CE 3.47Å; W207-M211 HydrophobicContact CZ3-SD 4.34Å; W207-F242 HydrophobicContact CE3-CE2 4.16Å; W207-F242 HydrophobicContact CH2-CE2 4.3Å; W207-F242 AromaticContact CZ3-CE2 3.76Å; W207-F242 HydrophobicContact CZ3-CE2 3.76Å
208P97.1Very high94.9Very high22 Ų2253.5 Ų53.514%0.14329%0.289CS..EExtended strand (participates in β ladder)trans-55.2133.9174.6-26.534.4000111A200 L201 L206 Q210 M211A200-P208 HydrophobicContact CB-CB 4.42Å; A200-P208 HydrophobicContact CB-CG 4.34Å; L201-P208 HydrophobicContact CD2-CG 4.12Å; L206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-Q210 PolarHBondContact O-N 2.81Å; P208-M211 VanDerWaalsContact O-CB 3.3Å; P208-M211 WeakPolarHBondContact O-CB 3.3Å; P208-M211 PolarHBondContact O-N 2.77Å
209G95Very high94.4Very high3 Ų350.1 Ų50.13%0.03127%0.267CS..G310 helixtrans-55.1-24.3-178.200000114.7Y195 H196 W207 M211 M212Y195-G209 PolarHBondContact O-N 2.99Å; H196-G209 VanDerWaalsContact NE2-CA 3.26Å; H196-G209 WeakPolarHBondContact NE2-CA 3.39Å; W207-G209 PolarHBondContact O-N 3.1Å; G209-M211 PolarHBondContact O-N 2.83Å; G209-M211 VanDerWaalsContact O-N 3.16Å; G209-M212 CarbonylContact O-C 3.59Å; G209-M212 PolarHBondContact O-N 3.4Å
210Q93Very high93.9Very high151 Ų15151.7 Ų51.771%0.70628%0.278SS*.G310 helixtrans-64.1-17.5174-58.581.62.300113.3P208P208-Q210 PolarHBondContact O-N 2.81Å
211M94.8Very high93.4Very high33 Ų3353.8 Ų53.816%0.16329%0.288CS..G310 helixtrans-80.9-3172.8-59.5-173.972.400113.3V173 F194 W207 P208 G209 T241 F242V173-M211 HydrophobicContact CG1-SD 4.11Å; F194-M211 HydrophobicContact CD1-CB 4.38Å; F194-M211 HydrophobicContact CE1-CB 4.09Å; W207-M211 HydrophobicContact CE3-CE 3.53Å; W207-M211 HydrophobicContact CE3-SD 3.79Å; W207-M211 HydrophobicContact CZ3-CE 3.47Å; W207-M211 VanDerWaalsContact CZ3-CE 3.47Å; W207-M211 HydrophobicContact CZ3-SD 4.34Å; P208-M211 VanDerWaalsContact O-CB 3.3Å; P208-M211 WeakPolarHBondContact O-CB 3.3Å; P208-M211 PolarHBondContact O-N 2.77Å; G209-M211 PolarHBondContact O-N 2.83Å; G209-M211 VanDerWaalsContact O-N 3.16Å; M211-T241 WeakPolarHBondContact O-CB 3.4Å; M211-F242 WeakPolarHBondContact O-CB 3.22Å; M211-F242 PolarHBondContact O-N 3.26Å
212M94.5Very high93.1Very high1 Ų149.6 Ų49.61%0.00527%0.269CS..SBendtrans-129.567.3172.9-169.864.170.800111.1F94 F141 F194 G209 A214 F242 V244 I292F94-M212 HydrophobicContact CD2-CE 4.4Å; F94-M212 HydrophobicContact CE2-CE 3.93Å; F94-M212 HydrophobicContact CE2-CG 4.05Å; F94-M212 HydrophobicContact CE2-SD 3.83Å; F94-M212 HydrophobicContact CZ-CG 4.44Å; F141-M212 HydrophobicContact CD1-CE 3.96Å; F194-M212 HydrophobicContact CB-CB 4.27Å; F194-M212 HydrophobicContact CD1-CB 3.56Å; F194-M212 HydrophobicContact CD1-CE 3.98Å; F194-M212 HydrophobicContact CD1-CG 4.45Å; F194-M212 HydrophobicContact CD2-CE 3.56Å; F194-M212 HydrophobicContact CE1-CB 4.09Å; F194-M212 HydrophobicContact CE1-CE 3.69Å; F194-M212 HydrophobicContact CE2-CE 3.31Å; F194-M212 HydrophobicContact CG-CB 3.89Å; F194-M212 HydrophobicContact CG-CE 3.92Å; F194-M212 HydrophobicContact CG-CG 4.4Å; F194-M212 HydrophobicContact CZ-CE 3.37Å; G209-M212 CarbonylContact O-C 3.59Å; G209-M212 PolarHBondContact O-N 3.4Å; M212-A214 PolarHBondContact O-N 3.28Å; M212-F242 HydrophobicContact CE-CB 3.45Å; M212-F242 VanDerWaalsContact CE-CB 3.45Å; M212-F242 HydrophobicContact CE-CD2 4.23Å; M212-F242 HydrophobicContact CE-CG 3.83Å; M212-F242 HydrophobicContact SD-CB 3.54Å; M212-F242 VanDerWaalsContact SD-CB 3.54Å; M212-V244 HydrophobicContact CG-CG2 3.79Å; M212-V244 HydrophobicContact SD-CG2 3.43Å; M212-V244 WeakPolarHBondContact SD-CG2 3.49Å; M212-I292 HydrophobicContact CE-CD1 3.65Å; M212-I292 HydrophobicContact SD-CD1 3.56Å; M212-I292 VanDerWaalsContact SD-CD1 3.56Å
213P93.2Very high92.8Very high47 Ų4748.9 Ų48.931%0.30527%0.266SS..  trans-60.1126.6173.7-19.633.3000111.1F242 F243 V244P213-F242 WeakPolarHBondContact CD-O 2.98Å; P213-F243 HydrophobicContact CB-CD2 4.19Å; P213-F243 HydrophobicContact CB-CE2 4.49Å; P213-V244 PolarHBondContact O-N 3.39Å
214A93.5Very high92.5Very high28 Ų2853.5 Ų53.523%0.23129%0.285CS..  trans-128.572.8178.300000110.2M212 V244 Q246M212-A214 PolarHBondContact O-N 3.28Å; A214-V244 HydrophobicContact CB-CB 3.75Å; A214-V244 HydrophobicContact CB-CG1 4.35Å; A214-V244 HydrophobicContact CB-CG2 4.13Å; A214-Q246 PolarHBondContact O-NE2 2.85Å
215P92.7Very high92.3Very high42 Ų4248.9 Ų48.927%0.27325%0.254SS..  trans-60.8141179.926.8-34.7000111.5F228 F243 Q246P215-F228 HydrophobicContact CB-CE1 4.04Å; P215-F228 HydrophobicContact CB-CZ 3.8Å; P215-F243 HydrophobicContact CG-CE2 4.03Å; P215-F243 HydrophobicContact CG-CZ 3.75Å; P215-Q246 PolarHBondContact O-NE2 2.95Å
216W91.3Very high92Very high127 Ų12749.7 Ų49.748%0.48126%0.261SS..  trans-117.8122.6-173.3179.643.8000111.9N218 F228 T250W216-N218 VanDerWaalsContact C-N 3.3Å; W216-N218 HydrophobicContact CD2-CB 3.89Å; W216-N218 HydrophobicContact CE3-CB 4Å; W216-N218 HydrophobicContact CH2-CB 4.32Å; W216-N218 HydrophobicContact CZ2-CB 4.23Å; W216-N218 HydrophobicContact CZ3-CB 4.2Å; W216-N218 PolarHBondContact O-N 2.84Å; W216-F228 VanDerWaalsContact C-CZ 3.44Å; W216-F228 WeakPolarHBondContact O-CZ 3.49Å; W216-T250 VanDerWaalsContact CE2-OG1 3.25Å; W216-T250 HydrophobicContact CH2-CG2 4.09Å; W216-T250 HydrophobicContact CZ2-CG2 3.42Å; W216-T250 VanDerWaalsContact CZ2-CG2 3.42Å; W216-T250 WeakPolarHBondContact CZ2-OG1 3.38Å; W216-T250 PolarHBondContact NE1-OG1 3.11Å
217A90.2Very high91.8Very high21 Ų2155.4 Ų55.417%0.17429%0.288CS..  trans-69.3-26.3-17600000113.6T219 L225 F228A217-T219 VanDerWaalsContact C-N 3.33Å; A217-T219 HydrophobicContact CB-CG2 3.88Å; A217-T219 PolarHBondContact O-N 3.16Å; A217-L225 HydrophobicContact CB-CD1 3.72Å; A217-F228 HydrophobicContact CB-CB 4.01Å; A217-F228 HydrophobicContact CB-CD1 3.5Å; A217-F228 VanDerWaalsContact CB-CD1 3.5Å; A217-F228 HydrophobicContact CB-CD2 4.28Å; A217-F228 HydrophobicContact CB-CE1 3.96Å; A217-F228 HydrophobicContact CB-CG 3.66Å
218N87Confident91.6Very high99 Ų9958.5 Ų58.553%0.52930%0.301SS..  trans43.654.7-178.1-169.812.5000113.2W216W216-N218 VanDerWaalsContact C-N 3.3Å; W216-N218 HydrophobicContact CD2-CB 3.89Å; W216-N218 HydrophobicContact CE3-CB 4Å; W216-N218 HydrophobicContact CH2-CB 4.32Å; W216-N218 HydrophobicContact CZ2-CB 4.23Å; W216-N218 HydrophobicContact CZ3-CB 4.2Å; W216-N218 PolarHBondContact O-N 2.84Å
219T86.4Confident91.4Very high17 Ų1757.6 Ų57.610%0.10430%0.295CS..  trans-137.2154.1-175.7-1740000111.7A217 D221 K224 L225 L249 T250A217-T219 VanDerWaalsContact C-N 3.33Å; A217-T219 HydrophobicContact CB-CG2 3.88Å; A217-T219 PolarHBondContact O-N 3.16Å; T219-D221 WeakPolarHBondContact OG1-CB 3.11Å; T219-D221 PolarHBondContact OG1-N 2.99Å; T219-D221 VanDerWaalsContact OG1-N 3.09Å; T219-K224 HydrophobicContact CG2-CB 4.27Å; T219-L225 HydrophobicContact CG2-CB 4.01Å; T219-L249 HydrophobicContact CG2-CD2 4.1Å; T219-L249 CarbonylContact O-C 3.6Å; T219-L249 WeakPolarHBondContact O-CA 3.38Å; T219-L249 WeakPolarHBondContact O-CD2 3.16Å; T219-T250 PolarHBondContact O-N 3.42Å
220T83.9Confident91.3Very high52 Ų5262.2 Ų62.232%0.31932%0.316SS..SBendtrans-99.1-4.3170.3410000112.2T250 K252T220-T250 WeakPolarHBondContact CG2-O 3.3Å; T220-K252 HydrophobicContact CG2-CG 4.43Å
221D87.7Confident91.3Very high50 Ų5057.4 Ų57.427%0.26730%0.302SS..  trans-100.2115-171.9-178.4-25.5000109.9T219 E223 K224 L225T219-D221 WeakPolarHBondContact OG1-CB 3.11Å; T219-D221 PolarHBondContact OG1-N 2.99Å; T219-D221 VanDerWaalsContact OG1-N 3.09Å; D221-E223 VanDerWaalsContact C-N 3.31Å; D221-E223 PolarHBondContact O-N 2.86Å; D221-E223 PolarHBondContact OD1-N 3.25Å; D221-K224 HydrophobicContact CB-CB 4.06Å; D221-K224 HydrophobicContact CB-CD 3.94Å; D221-K224 HydrophobicContact CB-CG 4.05Å; D221-K224 PolarHBondContact O-N 3.35Å; D221-K224 PolarHBondContact OD1-N 2.62Å; D221-K224 VanDerWaalsContact OD2-CE 3.29Å; D221-K224 WeakPolarHBondContact OD2-CE 3.42Å; D221-K224 IonicContact OD2-NZ 2.82Å; D221-L225 PolarHBondContact O-N 2.77Å
222P88Confident91.1Very high52 Ų5256.4 Ų56.434%0.33830%0.298SS..Hα-helixtrans-59.8-35.1-179.3-22.531.8000114.2L225 V226 L249 A272P222-L225 WeakPolarHBondContact O-CB 3.14Å; P222-L225 PolarHBondContact O-N 3.11Å; P222-V226 WeakPolarHBondContact O-CG2 3.41Å; P222-V226 PolarHBondContact O-N 3.21Å; P222-L249 HydrophobicContact CG-CD1 4.07Å; P222-A272 HydrophobicContact CB-CB 4.28Å; P222-A272 HydrophobicContact CG-CB 3.91Å
223E89.8Confident90.9Very high143 Ų14357 Ų5767%0.66830%0.302SS*.Hα-helixtrans-69.6-42.1-179.3-66.2-179.1-176.400110.5D221 L225 V226 Q227D221-E223 VanDerWaalsContact C-N 3.31Å; D221-E223 PolarHBondContact O-N 2.86Å; D221-E223 PolarHBondContact OD1-N 3.25Å; E223-L225 VanDerWaalsContact C-N 3.3Å; E223-L225 PolarHBondContact O-N 2.91Å; E223-V226 PolarHBondContact O-N 2.83Å; E223-Q227 WeakPolarHBondContact O-CG 3.1Å; E223-Q227 PolarHBondContact O-N 2.88Å
224K92.3Very high90.6Very high118 Ų11858 Ų5851%0.51331%0.307SS..Hα-helixtrans-64.5-36.4174.2-67.6-178.5-173.6170.70112.1T219 D221 F228T219-K224 HydrophobicContact CG2-CB 4.27Å; D221-K224 HydrophobicContact CB-CB 4.06Å; D221-K224 HydrophobicContact CB-CD 3.94Å; D221-K224 HydrophobicContact CB-CG 4.05Å; D221-K224 PolarHBondContact O-N 3.35Å; D221-K224 PolarHBondContact OD1-N 2.62Å; D221-K224 VanDerWaalsContact OD2-CE 3.29Å; D221-K224 WeakPolarHBondContact OD2-CE 3.42Å; D221-K224 IonicContact OD2-NZ 2.82Å; K224-F228 VanDerWaalsContact O-CB 3.27Å; K224-F228 WeakPolarHBondContact O-CB 3.48Å; K224-F228 PolarHBondContact O-N 3.03Å
225L92.8Very high90.1Very high2 Ų262.6 Ų62.61%0.0133%0.328CS..Hα-helixtrans-60.1-50.6173.4173.963000110.3A217 T219 D221 P222 E223 Q227 F228 L229 V247 L249A217-L225 HydrophobicContact CB-CD1 3.72Å; T219-L225 HydrophobicContact CG2-CB 4.01Å; D221-L225 PolarHBondContact O-N 2.77Å; P222-L225 WeakPolarHBondContact O-CB 3.14Å; P222-L225 PolarHBondContact O-N 3.11Å; E223-L225 VanDerWaalsContact C-N 3.3Å; E223-L225 PolarHBondContact O-N 2.91Å; L225-Q227 PolarHBondContact O-N 3.4Å; L225-F228 WeakPolarHBondContact O-CB 3.39Å; L225-F228 PolarHBondContact O-N 2.79Å; L225-L229 HydrophobicContact CD1-CD1 3.99Å; L225-L229 HydrophobicContact CD1-CD2 4.48Å; L225-L229 HydrophobicContact CD1-CG 4.01Å; L225-L229 HydrophobicContact CG-CD1 3.9Å; L225-L229 HydrophobicContact CG-CG 4.35Å; L225-L229 WeakPolarHBondContact O-CB 3.48Å; L225-L229 VanDerWaalsContact O-CG 3.26Å; L225-L229 WeakPolarHBondContact O-CG 3.43Å; L225-L229 PolarHBondContact O-N 2.96Å; L225-V247 HydrophobicContact CD2-CG1 4.38Å; L225-L249 HydrophobicContact CB-CD2 3.9Å; L225-L249 HydrophobicContact CD2-CD2 3.76Å; L225-L249 HydrophobicContact CD2-CG 4Å; L225-L249 HydrophobicContact CG-CD2 4.39Å
226V92.2Very high89.5Confident36 Ų3661.6 Ų61.622%0.21832%0.318CS..Hα-helixtrans-59.6-44.5179.1168.90000111.8P222 E223 F228 L229 Q230 W279P222-V226 WeakPolarHBondContact O-CG2 3.41Å; P222-V226 PolarHBondContact O-N 3.21Å; E223-V226 PolarHBondContact O-N 2.83Å; V226-F228 PolarHBondContact O-N 3.43Å; V226-L229 PolarHBondContact O-N 2.86Å; V226-Q230 VanDerWaalsContact O-CG 3.32Å; V226-Q230 WeakPolarHBondContact O-CG 3.36Å; V226-Q230 PolarHBondContact O-N 3.42Å; V226-W279 HydrophobicContact CG2-CB 4.27Å
227Q93.3Very high88.1Confident120 Ų12063.6 Ų63.656%0.56133%0.326SS*.Hα-helixtrans-60.7-44.2176-71.2171.37.900111.9E223 L225 Q230 A231E223-Q227 WeakPolarHBondContact O-CG 3.1Å; E223-Q227 PolarHBondContact O-N 2.88Å; L225-Q227 PolarHBondContact O-N 3.4Å; Q227-Q230 PolarHBondContact O-N 2.94Å; Q227-A231 WeakPolarHBondContact O-CB 3.46Å; Q227-A231 PolarHBondContact O-N 3.01Å
228F94.8Very high86.5Confident65 Ų6573.1 Ų73.129%0.28536%0.357SS..Hα-helixtrans-62.7-43.7177.5178.9-89.9000112P215 W216 A217 K224 L225 V226 A231 S232P215-F228 HydrophobicContact CB-CE1 4.04Å; P215-F228 HydrophobicContact CB-CZ 3.8Å; W216-F228 VanDerWaalsContact C-CZ 3.44Å; W216-F228 WeakPolarHBondContact O-CZ 3.49Å; A217-F228 HydrophobicContact CB-CB 4.01Å; A217-F228 HydrophobicContact CB-CD1 3.5Å; A217-F228 VanDerWaalsContact CB-CD1 3.5Å; A217-F228 HydrophobicContact CB-CD2 4.28Å; A217-F228 HydrophobicContact CB-CE1 3.96Å; A217-F228 HydrophobicContact CB-CG 3.66Å; K224-F228 VanDerWaalsContact O-CB 3.27Å; K224-F228 WeakPolarHBondContact O-CB 3.48Å; K224-F228 PolarHBondContact O-N 3.03Å; L225-F228 WeakPolarHBondContact O-CB 3.39Å; L225-F228 PolarHBondContact O-N 2.79Å; V226-F228 PolarHBondContact O-N 3.43Å; F228-A231 PolarHBondContact O-N 3.1Å; F228-S232 WeakPolarHBondContact CE1-OG 3.34Å; F228-S232 VanDerWaalsContact O-CB 3.29Å; F228-S232 WeakPolarHBondContact O-CB 3.44Å; F228-S232 PolarHBondContact O-N 3.42Å; F228-S232 PolarHBondContact O-OG 3.27Å
229L94.1Very high85.5Confident3 Ų376.9 Ų76.92%0.01637%0.369CS..Hα-helixtrans-62.3-45.4178.2-71.4170.8000111.2L225 V226 A231 S232 V233 V247 W279L225-L229 HydrophobicContact CD1-CD1 3.99Å; L225-L229 HydrophobicContact CD1-CD2 4.48Å; L225-L229 HydrophobicContact CD1-CG 4.01Å; L225-L229 HydrophobicContact CG-CD1 3.9Å; L225-L229 HydrophobicContact CG-CG 4.35Å; L225-L229 WeakPolarHBondContact O-CB 3.48Å; L225-L229 VanDerWaalsContact O-CG 3.26Å; L225-L229 WeakPolarHBondContact O-CG 3.43Å; L225-L229 PolarHBondContact O-N 2.96Å; V226-L229 PolarHBondContact O-N 2.86Å; L229-A231 PolarHBondContact O-N 3.3Å; L229-S232 PolarHBondContact O-N 3.29Å; L229-V233 WeakPolarHBondContact O-CG2 3.17Å; L229-V233 PolarHBondContact O-N 2.78Å; L229-V247 HydrophobicContact CD1-CB 4.48Å; L229-V247 HydrophobicContact CD1-CG1 4.27Å; L229-V247 HydrophobicContact CD1-CG2 4Å; L229-V247 HydrophobicContact CD2-CG2 4.49Å; L229-W279 HydrophobicContact CB-CD2 4.44Å; L229-W279 HydrophobicContact CB-CH2 4.2Å; L229-W279 HydrophobicContact CB-CZ2 3.58Å; L229-W279 HydrophobicContact CD1-CD2 3.92Å; L229-W279 HydrophobicContact CD1-CE3 3.94Å; L229-W279 HydrophobicContact CD1-CH2 4.24Å; L229-W279 HydrophobicContact CD1-CZ2 4.2Å; L229-W279 HydrophobicContact CD1-CZ3 4.11Å; L229-W279 HydrophobicContact CD2-CH2 4.35Å; L229-W279 HydrophobicContact CG-CZ2 4.33Å
230Q91.8Very high85.1Confident100 Ų10077.2 Ų77.247%0.46738%0.376SS..Hα-helixtrans-60.7-44.7176.7-72.6169.5-11.100112.2V226 Q227 T234V226-Q230 VanDerWaalsContact O-CG 3.32Å; V226-Q230 WeakPolarHBondContact O-CG 3.36Å; V226-Q230 PolarHBondContact O-N 3.42Å; Q227-Q230 PolarHBondContact O-N 2.94Å; Q230-T234 WeakPolarHBondContact O-CB 3.38Å; Q230-T234 PolarHBondContact O-N 3.29Å; Q230-T234 PolarHBondContact O-OG1 3.47Å
231A92.1Very high85.5Confident49 Ų4976.4 Ų76.441%0.40537%0.371SS..Hα-helixtrans-62.6-44.3175.500000111.4Q227 F228 L229 V233 T234 D235Q227-A231 WeakPolarHBondContact O-CB 3.46Å; Q227-A231 PolarHBondContact O-N 3.01Å; F228-A231 PolarHBondContact O-N 3.1Å; L229-A231 PolarHBondContact O-N 3.3Å; A231-V233 PolarHBondContact O-N 2.94Å; A231-T234 CarbonylContact O-C 3.54Å; A231-T234 WeakPolarHBondContact O-CA 3.36Å; A231-T234 WeakPolarHBondContact O-CB 3.47Å; A231-T234 PolarHBondContact O-N 3.04Å; A231-T234 VanDerWaalsContact O-N 3.11Å; A231-D235 WeakPolarHBondContact O-CB 3.29Å; A231-D235 PolarHBondContact O-N 3.11Å
232S91.6Very high85.8Confident13 Ų1374 Ų749%0.09136%0.358CS..Hα-helixtrans-65.4-41-178.1-60.20000112.6F228 L229 T234 D235 R236 F243F228-S232 WeakPolarHBondContact CE1-OG 3.34Å; F228-S232 VanDerWaalsContact O-CB 3.29Å; F228-S232 WeakPolarHBondContact O-CB 3.44Å; F228-S232 PolarHBondContact O-N 3.42Å; F228-S232 PolarHBondContact O-OG 3.27Å; L229-S232 PolarHBondContact O-N 3.29Å; S232-T234 VanDerWaalsContact C-N 3.3Å; S232-T234 PolarHBondContact O-N 3.43Å; S232-D235 PolarHBondContact O-N 2.88Å; S232-R236 PolarHBondContact O-N 3.5Å; S232-F243 WeakPolarHBondContact O-CZ 3.28Å
233V90.1Very high86.2Confident13 Ų1372.1 Ų72.18%0.07935%0.345CS..Hα-helixtrans-64-37.9172.4172.40000110.9L229 A231 R236 W279 I290L229-V233 WeakPolarHBondContact O-CG2 3.17Å; L229-V233 PolarHBondContact O-N 2.78Å; A231-V233 PolarHBondContact O-N 2.94Å; V233-R236 VanDerWaalsContact O-CB 3.25Å; V233-R236 WeakPolarHBondContact O-CB 3.48Å; V233-R236 PolarHBondContact O-N 3.33Å; V233-W279 HydrophobicContact CG2-CZ2 4.24Å; V233-I290 HydrophobicContact CG2-CG2 3.83Å
234T86.6Confident86.5Confident68 Ų6865.4 Ų65.442%0.41731%0.313SS..Hα-helixtrans-66.4-38.6176.8-59.60000112.1Q230 A231 S232 R237Q230-T234 WeakPolarHBondContact O-CB 3.38Å; Q230-T234 PolarHBondContact O-N 3.29Å; Q230-T234 PolarHBondContact O-OG1 3.47Å; A231-T234 CarbonylContact O-C 3.54Å; A231-T234 WeakPolarHBondContact O-CA 3.36Å; A231-T234 WeakPolarHBondContact O-CB 3.47Å; A231-T234 PolarHBondContact O-N 3.04Å; A231-T234 VanDerWaalsContact O-N 3.11Å; S232-T234 VanDerWaalsContact C-N 3.3Å; S232-T234 PolarHBondContact O-N 3.43Å; T234-R237 WeakPolarHBondContact O-CD 3.44Å; T234-R237 VanDerWaalsContact O-CG 3.28Å; T234-R237 WeakPolarHBondContact O-CG 3.35Å; T234-R237 PolarHBondContact O-NE 3.46Å
235D84.1Confident86.7Confident124 Ų12459.9 Ų59.966%0.66329%0.29SS*.Hα-helixtrans-78.6-19.4-178.9-76-13.4000113.5A231 S232 R237A231-D235 WeakPolarHBondContact O-CB 3.29Å; A231-D235 PolarHBondContact O-N 3.11Å; S232-D235 PolarHBondContact O-N 2.88Å; D235-R237 PolarHBondContact O-N 3.42Å
236R79.1Confident86.8Confident21 Ų2160.7 Ų60.78%0.07929%0.293CS..THydrogen-bonded Turntrans-51.5-16.6176.7-175.9-175.4174.9-160.6-3.1114.3A29 S232 V233 R238 F243 G286 G289 I290A29-R236 PolarHBondContact O-NH2 3.49Å; S232-R236 PolarHBondContact O-N 3.5Å; V233-R236 VanDerWaalsContact O-CB 3.25Å; V233-R236 WeakPolarHBondContact O-CB 3.48Å; V233-R236 PolarHBondContact O-N 3.33Å; R236-R238 PolarHBondContact O-N 3.18Å; R236-F243 HydrophobicContact CB-CD2 4.18Å; R236-F243 HydrophobicContact CB-CE2 4.11Å; R236-F243 HydrophobicContact CB-CG 4.43Å; R236-F243 HydrophobicContact CB-CZ 4.3Å; R236-F243 HydrophobicContact CG-CB 4.03Å; R236-F243 HydrophobicContact CG-CD1 4.24Å; R236-F243 HydrophobicContact CG-CD2 3.73Å; R236-F243 HydrophobicContact CG-CE2 4.18Å; R236-F243 HydrophobicContact CG-CG 3.74Å; R236-G286 PolarHBondContact NH1-O 3.48Å; R236-G289 PolarHBondContact NH1-O 3.18Å; R236-I290 VanDerWaalsContact NH1-C 3.3Å; R236-I290 PolarHBondContact NH1-O 2.85Å; R236-I290 VanDerWaalsContact NH1-O 3.16Å
237R62.3Low86.9Confident169 Ų16959 Ų5964%0.63828%0.283SS*.THydrogen-bonded Turntrans-51.61.1-178.2-65.4176.4-153.2-156.5-0116.7T234 D235 K239T234-R237 WeakPolarHBondContact O-CD 3.44Å; T234-R237 VanDerWaalsContact O-CG 3.28Å; T234-R237 WeakPolarHBondContact O-CG 3.35Å; T234-R237 PolarHBondContact O-NE 3.46Å; D235-R237 PolarHBondContact O-N 3.42Å; R237-K239 PolarHBondContact O-N 2.8Å
238R57.2Low86.7Confident221 Ų22153.5 Ų53.583%0.83426%0.258SS*.SBendtrans-72.8104.8164.5-65.4-171.6-178.3-177.21.7109.8R236R236-R238 PolarHBondContact O-N 3.18Å
239K65.4Low86.2Confident178 Ų17850.9 Ų50.977%0.77425%0.247SC*.THydrogen-bonded Turntrans-55.6141.6179.2-57.5-177.1176.3-170.40111.4R237R237-K239 PolarHBondContact O-N 2.8Å
240G78.2Confident85.5Confident24 Ų2452.1 Ų52.125%0.24725%0.254CS..THydrogen-bonded Turntrans117.9-4.3164.100000117.9A176A176-G240 WeakPolarHBondContact CB-O 3.34Å
241T91.3Very high84.6Confident36 Ų3648.9 Ų48.922%0.22124%0.242CC..  trans-128162.6-173.270.60000113.2M211M211-T241 WeakPolarHBondContact O-CB 3.4Å
242F95.4Very high83.6Confident0 Ų052.8 Ų52.80%025%0.25CC..  trans-69.7176.9157.8-65.3-85.5000109.8L28 A29 F141 A176 V179 L192 F194 W207 M211 M212 P213 I292L28-F242 HydrophobicContact CB-CE1 3.91Å; A29-F242 HydrophobicContact CB-CD1 3.93Å; A29-F242 HydrophobicContact CB-CE1 4.05Å; F141-F242 AromaticContact CE1-CD1 3.77Å; F141-F242 HydrophobicContact CE1-CD1 3.77Å; F141-F242 AromaticContact CE1-CE1 3.48Å; F141-F242 HydrophobicContact CE1-CE1 3.48Å; F141-F242 VanDerWaalsContact CE1-CE1 3.48Å; F141-F242 HydrophobicContact CE1-CG 4.41Å; F141-F242 AromaticContact CE1-CZ 3.89Å; F141-F242 HydrophobicContact CE1-CZ 3.89Å; F141-F242 HydrophobicContact CZ-CD1 4.44Å; F141-F242 AromaticContact CZ-CE1 3.94Å; F141-F242 HydrophobicContact CZ-CE1 3.94Å; A176-F242 HydrophobicContact CB-CD2 4.12Å; A176-F242 HydrophobicContact CB-CE2 3.88Å; A176-F242 HydrophobicContact CB-CZ 4.34Å; V179-F242 HydrophobicContact CB-CZ 4.26Å; V179-F242 HydrophobicContact CG1-CZ 4.34Å; V179-F242 HydrophobicContact CG2-CZ 4.35Å; L192-F242 HydrophobicContact CD2-CE2 4.07Å; L192-F242 HydrophobicContact CD2-CZ 3.81Å; F194-F242 AromaticContact CE1-CD2 3.7Å; F194-F242 HydrophobicContact CE1-CD2 3.7Å; F194-F242 HydrophobicContact CE1-CE2 4.21Å; F194-F242 AromaticContact CZ-CD2 3.4Å; F194-F242 HydrophobicContact CZ-CD2 3.4Å; F194-F242 VanDerWaalsContact CZ-CD2 3.4Å; F194-F242 AromaticContact CZ-CE2 3.64Å; F194-F242 HydrophobicContact CZ-CE2 3.64Å; F194-F242 HydrophobicContact CZ-CG 4.15Å; W207-F242 HydrophobicContact CE3-CE2 4.16Å; W207-F242 HydrophobicContact CH2-CE2 4.3Å; W207-F242 AromaticContact CZ3-CE2 3.76Å; W207-F242 HydrophobicContact CZ3-CE2 3.76Å; M211-F242 WeakPolarHBondContact O-CB 3.22Å; M211-F242 PolarHBondContact O-N 3.26Å; M212-F242 HydrophobicContact CE-CB 3.45Å; M212-F242 VanDerWaalsContact CE-CB 3.45Å; M212-F242 HydrophobicContact CE-CD2 4.23Å; M212-F242 HydrophobicContact CE-CG 3.83Å; M212-F242 HydrophobicContact SD-CB 3.54Å; M212-F242 VanDerWaalsContact SD-CB 3.54Å; P213-F242 WeakPolarHBondContact CD-O 2.98Å; F242-I292 HydrophobicContact CB-CD1 4.49Å
243F95.3Very high82.2Confident11 Ų1155 Ų555%0.04827%0.269CS..  trans-157.6136.2178.1-171.9-97.4000112.2P213 P215 S232 R236 N291 I292P213-F243 HydrophobicContact CB-CD2 4.19Å; P213-F243 HydrophobicContact CB-CE2 4.49Å; P215-F243 HydrophobicContact CG-CE2 4.03Å; P215-F243 HydrophobicContact CG-CZ 3.75Å; S232-F243 WeakPolarHBondContact O-CZ 3.28Å; R236-F243 HydrophobicContact CB-CD2 4.18Å; R236-F243 HydrophobicContact CB-CE2 4.11Å; R236-F243 HydrophobicContact CB-CG 4.43Å; R236-F243 HydrophobicContact CB-CZ 4.3Å; R236-F243 HydrophobicContact CG-CB 4.03Å; R236-F243 HydrophobicContact CG-CD1 4.24Å; R236-F243 HydrophobicContact CG-CD2 3.73Å; R236-F243 HydrophobicContact CG-CE2 4.18Å; R236-F243 HydrophobicContact CG-CG 3.74Å; F243-N291 HydrophobicContact CB-CB 4.42Å; F243-N291 PolarHBondContact N-OD1 3.01Å; F243-N291 VanDerWaalsContact N-OD1 3.16Å; F243-N291 WeakPolarHBondContact O-CB 3.21Å; F243-I292 PolarHBondContact O-N 3.25Å
244V96.4Very high80.6Confident2 Ų257.8 Ų57.81%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-111122.6179.1-1730000110.5F94 M212 P213 A214 Q246 I292 T294F94-V244 HydrophobicContact CE1-CG2 4.38Å; F94-V244 HydrophobicContact CE2-CG2 3.94Å; F94-V244 HydrophobicContact CZ-CG2 3.74Å; M212-V244 HydrophobicContact CG-CG2 3.79Å; M212-V244 HydrophobicContact SD-CG2 3.43Å; M212-V244 WeakPolarHBondContact SD-CG2 3.49Å; P213-V244 PolarHBondContact O-N 3.39Å; A214-V244 HydrophobicContact CB-CB 3.75Å; A214-V244 HydrophobicContact CB-CG1 4.35Å; A214-V244 HydrophobicContact CB-CG2 4.13Å; V244-Q246 HydrophobicContact CG1-CG 4.03Å; V244-I292 WeakPolarHBondContact CA-O 3.38Å; V244-I292 HydrophobicContact CG1-CG2 4.16Å; V244-I292 HydrophobicContact CG2-CB 4.2Å; V244-I292 HydrophobicContact CG2-CD1 4.4Å; V244-I292 HydrophobicContact CG2-CG2 4.18Å; V244-T294 HydrophobicContact CG1-CG2 3.66Å
245S96.6Very high79.3Confident2 Ų256.5 Ų56.51%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-94106.2166.9-63.80000109.3V247 I292 I293 T294S245-V247 PolarHBondContact O-N 3.47Å; S245-I292 PolarHBondContact N-O 2.93Å; S245-I293 WeakPolarHBondContact O-CA 3.47Å; S245-T294 PolarHBondContact O-N 3.36Å
246Q95.4Very high78.2Confident20 Ų2052.7 Ų52.79%0.09326%0.262CS..EExtended strand (participates in β ladder)trans-84.895.7-178.8-56.4-16755.900110.9A214 P215 V244 V248 T294A214-Q246 PolarHBondContact O-NE2 2.85Å; P215-Q246 PolarHBondContact O-NE2 2.95Å; V244-Q246 HydrophobicContact CG1-CG 4.03Å; Q246-V248 HydrophobicContact CB-CG2 3.99Å; Q246-V248 PolarHBondContact O-N 3.24Å; Q246-T294 WeakPolarHBondContact CA-OG1 3.05Å
247V93.4Very high77.1Confident1 Ų156.9 Ų56.91%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-84.768.1176.8-164.50000107.8L225 L229 S245 M276 W279 I280 I293 T294L225-V247 HydrophobicContact CD2-CG1 4.38Å; L229-V247 HydrophobicContact CD1-CB 4.48Å; L229-V247 HydrophobicContact CD1-CG1 4.27Å; L229-V247 HydrophobicContact CD1-CG2 4Å; L229-V247 HydrophobicContact CD2-CG2 4.49Å; S245-V247 PolarHBondContact O-N 3.47Å; V247-M276 HydrophobicContact CB-CE 4.43Å; V247-M276 HydrophobicContact CG1-CB 3.72Å; V247-M276 HydrophobicContact CG1-CE 3.72Å; V247-M276 HydrophobicContact CG1-CG 3.69Å; V247-M276 WeakPolarHBondContact O-CE 3.5Å; V247-W279 HydrophobicContact CG2-CE3 3.93Å; V247-W279 HydrophobicContact CG2-CZ3 3.57Å; V247-I280 HydrophobicContact CG2-CG1 4.49Å; V247-I293 HydrophobicContact CB-CG2 4.5Å; V247-I293 HydrophobicContact CG2-CG2 3.51Å; V247-T294 WeakPolarHBondContact CA-O 3.24Å; V247-T294 WeakPolarHBondContact CB-O 3.36Å; V247-T294 PolarHBondContact N-O 2.95Å
248V89.2Confident76.9Confident4 Ų457.6 Ų57.62%0.02429%0.292CS..  trans-135.2148.9-176.8-59.30000110.3H37 Q246H37-V248 HydrophobicContact CB-CG1 3.77Å; Q246-V248 HydrophobicContact CB-CG2 3.99Å; Q246-V248 PolarHBondContact O-N 3.24Å
249L85.1Confident77Confident10 Ų1047.6 Ų47.65%0.05226%0.258CS..  trans-113.2135175-72.6176.9000109.5T219 P222 L225 P251 I268 A272T219-L249 HydrophobicContact CG2-CD2 4.1Å; T219-L249 CarbonylContact O-C 3.6Å; T219-L249 WeakPolarHBondContact O-CA 3.38Å; T219-L249 WeakPolarHBondContact O-CD2 3.16Å; P222-L249 HydrophobicContact CG-CD1 4.07Å; L225-L249 HydrophobicContact CB-CD2 3.9Å; L225-L249 HydrophobicContact CD2-CD2 3.76Å; L225-L249 HydrophobicContact CD2-CG 4Å; L225-L249 HydrophobicContact CG-CD2 4.39Å; L249-P251 WeakPolarHBondContact O-CD 3.46Å; L249-I268 HydrophobicContact CB-CG2 3.29Å; L249-I268 HydrophobicContact CD1-CG2 3.61Å; L249-I268 HydrophobicContact CG-CG2 4.1Å; L249-A272 HydrophobicContact CD1-CB 3.34Å; L249-A272 HydrophobicContact CG-CB 4.46Å
250T80Confident76.5Confident29 Ų2943.5 Ų43.518%0.17825%0.247CC..  trans-101.6110.1-174.2-560000110.4W216 T219 T220 K252W216-T250 VanDerWaalsContact CE2-OG1 3.25Å; W216-T250 HydrophobicContact CH2-CG2 4.09Å; W216-T250 HydrophobicContact CZ2-CG2 3.42Å; W216-T250 VanDerWaalsContact CZ2-CG2 3.42Å; W216-T250 WeakPolarHBondContact CZ2-OG1 3.38Å; W216-T250 PolarHBondContact NE1-OG1 3.11Å; T219-T250 PolarHBondContact O-N 3.42Å; T220-T250 WeakPolarHBondContact CG2-O 3.3Å; T250-K252 PolarHBondContact O-N 3.29Å
251P72.6Confident75.5Confident32 Ų3246.8 Ų46.821%0.20827%0.273CS..  trans-60.2138.4173.724.2-33.1000111.1W76 L249 V256 L264 I268W76-P251 HydrophobicContact CE3-CB 4.14Å; W76-P251 HydrophobicContact CE3-CG 4.35Å; W76-P251 HydrophobicContact CZ3-CB 3.99Å; L249-P251 WeakPolarHBondContact O-CD 3.46Å; P251-V256 HydrophobicContact CB-CG2 4.15Å; P251-L264 HydrophobicContact CG-CD1 3.92Å; P251-I268 HydrophobicContact CB-CD1 3.57Å; P251-I268 HydrophobicContact CG-CD1 4.26Å
252K69.9Low74.1Confident130 Ų13047 Ų4757%0.56528%0.276SS*.  trans-77.1152165.4-64.6-178.2178.7179.50109.7T220 T250 S254 T255 V256T220-K252 HydrophobicContact CG2-CG 4.43Å; T250-K252 PolarHBondContact O-N 3.29Å; K252-S254 PolarHBondContact O-N 3.36Å; K252-S254 VanDerWaalsContact O-N 3.1Å; K252-T255 WeakPolarHBondContact O-CA 3.12Å; K252-T255 VanDerWaalsContact O-CB 3.22Å; K252-T255 WeakPolarHBondContact O-CB 3.14Å; K252-T255 PolarHBondContact O-N 3.05Å; K252-V256 PolarHBondContact O-N 3.39Å
253A62.9Low72.6Confident60 Ų6047.1 Ų47.150%0.49628%0.276SS..Hα-helixtrans-52.9-35.4175.300000113.1T255 V256 M257A253-T255 VanDerWaalsContact C-N 3.28Å; A253-T255 PolarHBondContact O-N 2.93Å; A253-V256 PolarHBondContact O-N 3.07Å; A253-M257 WeakPolarHBondContact O-CG 3.47Å; A253-M257 PolarHBondContact O-N 3.4Å; A253-M257 VanDerWaalsContact O-N 3.08Å
254S56.4Low71.4Confident71 Ų7146.8 Ų46.850%0.49728%0.275SS..Hα-helixtrans-67.9-23.8174.7580000114.3K252 K258K252-S254 PolarHBondContact O-N 3.36Å; K252-S254 VanDerWaalsContact O-N 3.1Å; S254-K258 VanDerWaalsContact O-CG 3.31Å; S254-K258 WeakPolarHBondContact O-CG 3.27Å; S254-K258 PolarHBondContact O-N 3.09Å
255T60.2Low70.3Confident42 Ų4249.9 Ų49.926%0.25829%0.286SS..Hα-helixtrans-77.4-43.4175.2-53.30000110.2W76 K252 A253 M257 K258 G259 I268W76-T255 HydrophobicContact CH2-CG2 4.18Å; W76-T255 HydrophobicContact CZ3-CG2 4.31Å; K252-T255 WeakPolarHBondContact O-CA 3.12Å; K252-T255 VanDerWaalsContact O-CB 3.22Å; K252-T255 WeakPolarHBondContact O-CB 3.14Å; K252-T255 PolarHBondContact O-N 3.05Å; A253-T255 VanDerWaalsContact C-N 3.28Å; A253-T255 PolarHBondContact O-N 2.93Å; T255-M257 VanDerWaalsContact C-N 3.32Å; T255-M257 PolarHBondContact O-N 2.83Å; T255-K258 PolarHBondContact O-N 2.95Å; T255-G259 PolarHBondContact O-N 3.38Å; T255-G259 VanDerWaalsContact O-N 3.11Å; T255-I268 HydrophobicContact CG2-CD1 4.45Å
256V59.8Low69.1Low44 Ų4454 Ų5427%0.26731%0.305SS..Hα-helixtrans-56.4-46.5173179.30000110.9W76 P251 K252 A253 K258 G259W76-V256 HydrophobicContact CB-CG1 4.18Å; W76-V256 HydrophobicContact CB-CG2 4.46Å; W76-V256 HydrophobicContact CD2-CB 4.24Å; W76-V256 HydrophobicContact CD2-CG1 4.08Å; W76-V256 HydrophobicContact CD2-CG2 3.99Å; W76-V256 HydrophobicContact CE3-CB 4.45Å; W76-V256 HydrophobicContact CE3-CG2 3.8Å; W76-V256 HydrophobicContact CG-CB 4.45Å; W76-V256 HydrophobicContact CG-CG1 3.8Å; W76-V256 HydrophobicContact CG-CG2 4.29Å; W76-V256 HydrophobicContact CZ3-CG2 4.39Å; P251-V256 HydrophobicContact CB-CG2 4.15Å; K252-V256 PolarHBondContact O-N 3.39Å; A253-V256 PolarHBondContact O-N 3.07Å; V256-K258 VanDerWaalsContact C-N 3.3Å; V256-K258 PolarHBondContact O-N 3.15Å; V256-G259 PolarHBondContact O-N 2.77Å
257M57.2Low67.7Low109 Ų10954.1 Ų54.154%0.53731%0.308SS..Hα-helixtrans-67.7-24.3-179.9-71.2-61.2-62.700114.4F61 A253 T255 V260F61-M257 HydrophobicContact CD2-CE 4.24Å; F61-M257 HydrophobicContact CD2-SD 4.34Å; F61-M257 HydrophobicContact CE2-CE 4.07Å; F61-M257 HydrophobicContact CE2-SD 4.36Å; A253-M257 WeakPolarHBondContact O-CG 3.47Å; A253-M257 PolarHBondContact O-N 3.4Å; A253-M257 VanDerWaalsContact O-N 3.08Å; T255-M257 VanDerWaalsContact C-N 3.32Å; T255-M257 PolarHBondContact O-N 2.83Å; M257-V260 VanDerWaalsContact O-CG2 3.27Å; M257-V260 WeakPolarHBondContact O-CG2 3.43Å
258K58.1Low66.9Low183 Ų18354.7 Ų54.780%0.79631%0.311SS*.Hα-helixtrans-89.5-25.6179.8-75.7177.5179.7-1770113.1S254 T255 V256 V260S254-K258 VanDerWaalsContact O-CG 3.31Å; S254-K258 WeakPolarHBondContact O-CG 3.27Å; S254-K258 PolarHBondContact O-N 3.09Å; T255-K258 PolarHBondContact O-N 2.95Å; V256-K258 VanDerWaalsContact C-N 3.3Å; V256-K258 PolarHBondContact O-N 3.15Å; K258-V260 PolarHBondContact O-N 3.44Å
259G57.4Low66.2Low12 Ų1254.8 Ų54.812%0.12431%0.311CS..  trans-94.453.1-178.600000113.4W76 T255 V256 A261 S262W76-G259 PolarHBondContact NE1-O 3.01Å; T255-G259 PolarHBondContact O-N 3.38Å; T255-G259 VanDerWaalsContact O-N 3.11Å; V256-G259 PolarHBondContact O-N 2.77Å; G259-A261 PolarHBondContact O-N 2.92Å; G259-S262 PolarHBondContact O-N 2.7Å
260V56.1Low66Low91 Ų9158 Ų5855%0.55233%0.326SS*.THydrogen-bonded Turntrans-65.9-10.4-173.7-166.60000113.1L72 M257 K258L72-V260 HydrophobicContact CD1-CG1 3.82Å; L72-V260 HydrophobicContact CD2-CG1 4.37Å; L72-V260 WeakPolarHBondContact CD2-O 3.26Å; M257-V260 VanDerWaalsContact O-CG2 3.27Å; M257-V260 WeakPolarHBondContact O-CG2 3.43Å; K258-V260 PolarHBondContact O-N 3.44Å
261A57.5Low65.9Low94 Ų9465.9 Ų65.978%0.77735%0.352SS*.THydrogen-bonded Turntrans-112.9-12.8179.100000115.4G259G259-A261 PolarHBondContact O-N 2.92Å
262S60.3Low66.4Low41 Ų4164.5 Ų64.529%0.28734%0.344SS..  trans-126.1159.3-176.257.30000111.8W76 G259 T267W76-S262 WeakPolarHBondContact CZ2-O 3.26Å; W76-S262 PolarHBondContact NE1-O 3.12Å; W76-S262 VanDerWaalsContact NE1-O 3.14Å; G259-S262 PolarHBondContact O-N 2.7Å; S262-T267 VanDerWaalsContact CB-OG1 3.31Å; S262-T267 WeakPolarHBondContact CB-OG1 3.4Å; S262-T267 PolarHBondContact OG-OG1 2.85Å
263G63.9Low67.1Low1 Ų159.9 Ų59.91%0.0133%0.325CS..  trans-101.7-176.3-179.600000114K75 R265 E266 T267K75-G263 WeakPolarHBondContact O-CA 3.26Å; G263-R265 VanDerWaalsContact C-N 3.29Å; G263-R265 PolarHBondContact O-N 2.98Å; G263-E266 WeakPolarHBondContact CA-OE2 3.49Å; G263-E266 PolarHBondContact N-OE2 2.88Å; G263-T267 WeakPolarHBondContact O-CB 3.41Å; G263-T267 PolarHBondContact O-N 2.82Å; G263-T267 VanDerWaalsContact O-N 3.08Å; G263-T267 PolarHBondContact O-OG1 2.86Å
264L70.9Confident68.4Low5 Ų561.3 Ų61.33%0.02633%0.33CS..Hα-helixtrans-55.7-46.3174.3175.762.9000110.8K75 W76 T79 P251 I268 T269 F297K75-L264 PolarHBondContact O-N 3.25Å; W76-L264 HydrophobicContact CE3-CB 4.4Å; T79-L264 HydrophobicContact CG2-CD2 4.14Å; P251-L264 HydrophobicContact CG-CD1 3.92Å; L264-I268 HydrophobicContact CD1-CB 4.07Å; L264-I268 HydrophobicContact CD1-CD1 3.91Å; L264-I268 HydrophobicContact CD1-CG1 4.35Å; L264-I268 HydrophobicContact CD1-CG2 4.45Å; L264-I268 WeakPolarHBondContact O-CB 3.42Å; L264-I268 PolarHBondContact O-N 2.95Å; L264-T269 PolarHBondContact O-N 3.15Å; L264-F297 HydrophobicContact CB-CE2 4.42Å; L264-F297 HydrophobicContact CD2-CE2 4.25Å; L264-F297 HydrophobicContact CG-CE2 4.15Å
265R73.9Confident69.9Low66 Ų6659.3 Ų59.325%0.24932%0.32CS..Iπ-helixtrans-52.5-61179.8-176.1179.3173.1141.1-1.9112.5G263 T269 E270 F297 E299 L300G263-R265 VanDerWaalsContact C-N 3.29Å; G263-R265 PolarHBondContact O-N 2.98Å; R265-T269 PolarHBondContact O-N 3.08Å; R265-E270 HydrophobicContact CG-CG 4.19Å; R265-E270 IonicContact CZ-OE1 3.28Å; R265-E270 IonicContact NE-OE1 3.67Å; R265-E270 PolarHBondContact NE-OE1 3.23Å; R265-E270 IonicContact NH2-OE1 3.69Å; R265-E270 WeakPolarHBondContact O-CG 3.39Å; R265-E270 PolarHBondContact O-N 3.06Å; R265-F297 VanDerWaalsContact CA-CE2 3.48Å; R265-F297 HydrophobicContact CB-CD1 4.49Å; R265-F297 HydrophobicContact CB-CD2 3.98Å; R265-F297 HydrophobicContact CB-CE1 4.1Å; R265-F297 HydrophobicContact CB-CE2 3.54Å; R265-F297 HydrophobicContact CB-CG 4.42Å; R265-F297 HydrophobicContact CB-CZ 3.6Å; R265-F297 HydrophobicContact CG-CD1 4.43Å; R265-F297 HydrophobicContact CG-CD2 4.1Å; R265-F297 HydrophobicContact CG-CE1 4.49Å; R265-F297 HydrophobicContact CG-CE2 4.18Å; R265-F297 HydrophobicContact CG-CG 4.22Å; R265-F297 HydrophobicContact CG-CZ 4.36Å; R265-E299 IonicContact CZ-OE1 3.13Å; R265-E299 IonicContact NH1-OE1 2.97Å; R265-E299 PolarHBondContact NH1-OE1 2.9Å; R265-L300 HydrophobicContact CG-CD1 4.31Å
266E70.8Confident71.3Confident88 Ų8857.9 Ų57.941%0.41131%0.31SS..Iπ-helixtrans-76.5-29-171.5-53.184.5179.600111.9G263G263-E266 WeakPolarHBondContact CA-OE2 3.49Å; G263-E266 PolarHBondContact N-OE2 2.88Å
267T66.9Low72.9Confident23 Ų2356.1 Ų56.114%0.14130%0.299CS..Iπ-helixtrans-86.6-31.3-173-46.70000112.5W76 S262 G263 R271W76-T267 HydrophobicContact CH2-CG2 3.96Å; S262-T267 VanDerWaalsContact CB-OG1 3.31Å; S262-T267 WeakPolarHBondContact CB-OG1 3.4Å; S262-T267 PolarHBondContact OG-OG1 2.85Å; G263-T267 WeakPolarHBondContact O-CB 3.41Å; G263-T267 PolarHBondContact O-N 2.82Å; G263-T267 VanDerWaalsContact O-N 3.08Å; G263-T267 PolarHBondContact O-OG1 2.86Å; T267-R271 WeakPolarHBondContact O-CD 3.49Å
268I74.9Confident74.7Confident14 Ų1458 Ų587%0.07231%0.307CS..Iπ-helixtrans-124.6-61.4-170.2-61-172.7000110.6W76 L249 P251 T255 L264 R271 A272W76-I268 HydrophobicContact CZ3-CD1 4.18Å; L249-I268 HydrophobicContact CB-CG2 3.29Å; L249-I268 HydrophobicContact CD1-CG2 3.61Å; L249-I268 HydrophobicContact CG-CG2 4.1Å; P251-I268 HydrophobicContact CB-CD1 3.57Å; P251-I268 HydrophobicContact CG-CD1 4.26Å; T255-I268 HydrophobicContact CG2-CD1 4.45Å; L264-I268 HydrophobicContact CD1-CB 4.07Å; L264-I268 HydrophobicContact CD1-CD1 3.91Å; L264-I268 HydrophobicContact CD1-CG1 4.35Å; L264-I268 HydrophobicContact CD1-CG2 4.45Å; L264-I268 WeakPolarHBondContact O-CB 3.42Å; L264-I268 PolarHBondContact O-N 2.95Å; I268-R271 PolarHBondContact O-N 3.04Å; I268-A272 PolarHBondContact O-N 2.62Å; I268-A272 VanDerWaalsContact O-N 3.11Å
269T75.3Confident76.4Confident6 Ų649.7 Ų49.74%0.03727%0.27CS..Iπ-helixtrans-63.3-52.1-169.9-480000112L264 R265 R271 A272 L273 F297 L300L264-T269 PolarHBondContact O-N 3.15Å; R265-T269 PolarHBondContact O-N 3.08Å; T269-R271 PolarHBondContact O-N 3.23Å; T269-A272 PolarHBondContact O-N 2.92Å; T269-L273 WeakPolarHBondContact O-CB 3.47Å; T269-L273 PolarHBondContact O-N 2.82Å; T269-F297 HydrophobicContact CG2-CD2 4.06Å; T269-L300 HydrophobicContact CG2-CD1 4.14Å
270E80.8Confident78.2Confident78 Ų7849.2 Ų49.236%0.36427%0.265SS..Hα-helixtrans-63.5-29.6-177.5-72.9178.2175.600112.7R265 L300R265-E270 HydrophobicContact CG-CG 4.19Å; R265-E270 IonicContact CZ-OE1 3.28Å; R265-E270 IonicContact NE-OE1 3.67Å; R265-E270 PolarHBondContact NE-OE1 3.23Å; R265-E270 IonicContact NH2-OE1 3.69Å; R265-E270 WeakPolarHBondContact O-CG 3.39Å; R265-E270 PolarHBondContact O-N 3.06Å; E270-L300 HydrophobicContact CG-CD1 3.93Å
271R78.2Confident80.1Confident193 Ų19350.9 Ų50.973%0.72826%0.261SS*.Hα-helixtrans-75.3-35.7177.7-65.6-171.1-178.5172.7-4.1112.8T267 I268 T269T267-R271 WeakPolarHBondContact O-CD 3.49Å; I268-R271 PolarHBondContact O-N 3.04Å; T269-R271 PolarHBondContact O-N 3.23Å
272A82.3Confident81.9Confident3 Ų350.4 Ų50.43%0.02525%0.252CS..Hα-helixtrans-84.7-16.9179.300000112.9P222 L249 I268 T269 P274 G275 M276P222-A272 HydrophobicContact CB-CB 4.28Å; P222-A272 HydrophobicContact CG-CB 3.91Å; L249-A272 HydrophobicContact CD1-CB 3.34Å; L249-A272 HydrophobicContact CG-CB 4.46Å; I268-A272 PolarHBondContact O-N 2.62Å; I268-A272 VanDerWaalsContact O-N 3.11Å; T269-A272 PolarHBondContact O-N 2.92Å; A272-P274 VanDerWaalsContact C-CD 3.46Å; A272-G275 PolarHBondContact O-N 3.04Å; A272-M276 HydrophobicContact CB-CG 4.2Å; A272-M276 HydrophobicContact CB-SD 3.59Å; A272-M276 VanDerWaalsContact CB-SD 3.59Å; A272-M276 WeakPolarHBondContact O-CG 3.17Å; A272-M276 PolarHBondContact O-N 2.91Å
273L86Confident83.5Confident33 Ų3349.6 Ų49.617%0.17324%0.244CC..Hα-helixtrans-49.3-44.1-173.8-171.465.5000114.3T269 G275 M276 M277 L300T269-L273 WeakPolarHBondContact O-CB 3.47Å; T269-L273 PolarHBondContact O-N 2.82Å; L273-G275 PolarHBondContact O-N 3.21Å; L273-M276 PolarHBondContact O-N 3.13Å; L273-M277 HydrophobicContact CD1-CG 3.96Å; L273-M277 HydrophobicContact CD1-SD 4.33Å; L273-M277 HydrophobicContact CG-CG 4.2Å; L273-M277 WeakPolarHBondContact O-CB 3.49Å; L273-M277 VanDerWaalsContact O-CG 3.31Å; L273-M277 WeakPolarHBondContact O-CG 3.46Å; L273-M277 PolarHBondContact O-N 3.07Å; L273-L300 HydrophobicContact CD1-CB 4.18Å; L273-L300 HydrophobicContact CD2-CB 4.07Å
274P88.8Confident84.9Confident91 Ų9154.5 Ų54.559%0.59126%0.262SS*.Hα-helixtrans-60.2-44.9178.2-24.435.7000113.2A272 Q278A272-P274 VanDerWaalsContact C-CD 3.46Å; P274-Q278 WeakPolarHBondContact O-CB 3.48Å; P274-Q278 PolarHBondContact O-N 3.29Å
275G88Confident86Confident28 Ų2854.8 Ų54.829%0.28926%0.264SS..Hα-helixtrans-69.7-38.8178.900000112.4A272 L273 Q278 W279A272-G275 PolarHBondContact O-N 3.04Å; L273-G275 PolarHBondContact O-N 3.21Å; G275-Q278 PolarHBondContact O-N 2.94Å; G275-W279 PolarHBondContact O-N 2.91Å
276M90.4Very high86.7Confident12 Ų1252.5 Ų52.56%0.05926%0.261CS..Hα-helixtrans-61.1-49.2174-65.3162.366.500111.1V247 A272 L273 Q278 W279 I280V247-M276 HydrophobicContact CB-CE 4.43Å; V247-M276 HydrophobicContact CG1-CB 3.72Å; V247-M276 HydrophobicContact CG1-CE 3.72Å; V247-M276 HydrophobicContact CG1-CG 3.69Å; V247-M276 WeakPolarHBondContact O-CE 3.5Å; A272-M276 HydrophobicContact CB-CG 4.2Å; A272-M276 HydrophobicContact CB-SD 3.59Å; A272-M276 VanDerWaalsContact CB-SD 3.59Å; A272-M276 WeakPolarHBondContact O-CG 3.17Å; A272-M276 PolarHBondContact O-N 2.91Å; L273-M276 PolarHBondContact O-N 3.13Å; M276-Q278 VanDerWaalsContact C-N 3.35Å; M276-Q278 PolarHBondContact O-N 3.44Å; M276-W279 PolarHBondContact O-N 3.32Å; M276-I280 WeakPolarHBondContact O-CG1 3.31Å; M276-I280 PolarHBondContact O-N 2.91Å
277M94.1Very high87.3Confident8 Ų853.7 Ų53.74%0.03927%0.267CS..Hα-helixtrans-66.9-35.4179.2-70.2-46.2-57.400112.6L273 I280 R281 G301 F303 A306L273-M277 HydrophobicContact CD1-CG 3.96Å; L273-M277 HydrophobicContact CD1-SD 4.33Å; L273-M277 HydrophobicContact CG-CG 4.2Å; L273-M277 WeakPolarHBondContact O-CB 3.49Å; L273-M277 VanDerWaalsContact O-CG 3.31Å; L273-M277 WeakPolarHBondContact O-CG 3.46Å; L273-M277 PolarHBondContact O-N 3.07Å; M277-I280 PolarHBondContact O-N 2.75Å; M277-I280 HydrophobicContact SD-CD1 4.02Å; M277-R281 WeakPolarHBondContact O-CB 3.27Å; M277-R281 VanDerWaalsContact O-CG 3.31Å; M277-R281 WeakPolarHBondContact O-CG 3.38Å; M277-R281 PolarHBondContact O-N 3.41Å; M277-G301 VanDerWaalsContact CE-O 3.26Å; M277-G301 WeakPolarHBondContact CE-O 3.41Å; M277-F303 HydrophobicContact SD-CB 4.3Å; M277-A306 HydrophobicContact CE-CB 3.44Å; M277-A306 VanDerWaalsContact CE-CB 3.44Å
278Q93.7Very high88.2Confident149 Ų14958.2 Ų58.270%0.69629%0.29SS*.Hα-helixtrans-61.1-45.6172.4-177.7179.4-0.800111.1P274 G275 M276 S282P274-Q278 WeakPolarHBondContact O-CB 3.48Å; P274-Q278 PolarHBondContact O-N 3.29Å; G275-Q278 PolarHBondContact O-N 2.94Å; M276-Q278 VanDerWaalsContact C-N 3.35Å; M276-Q278 PolarHBondContact O-N 3.44Å; Q278-S282 PolarHBondContact O-N 3.22Å
279W94.9Very high88.9Confident8 Ų858.1 Ų58.13%0.0329%0.292CS..Hα-helixtrans-62.5-48.3176.7179.884.2000111.5V226 L229 V233 V247 G275 M276 R281 S282 Q283 I290 I293V226-W279 HydrophobicContact CG2-CB 4.27Å; L229-W279 HydrophobicContact CB-CD2 4.44Å; L229-W279 HydrophobicContact CB-CH2 4.2Å; L229-W279 HydrophobicContact CB-CZ2 3.58Å; L229-W279 HydrophobicContact CD1-CD2 3.92Å; L229-W279 HydrophobicContact CD1-CE3 3.94Å; L229-W279 HydrophobicContact CD1-CH2 4.24Å; L229-W279 HydrophobicContact CD1-CZ2 4.2Å; L229-W279 HydrophobicContact CD1-CZ3 4.11Å; L229-W279 HydrophobicContact CD2-CH2 4.35Å; L229-W279 HydrophobicContact CG-CZ2 4.33Å; V233-W279 HydrophobicContact CG2-CZ2 4.24Å; V247-W279 HydrophobicContact CG2-CE3 3.93Å; V247-W279 HydrophobicContact CG2-CZ3 3.57Å; G275-W279 PolarHBondContact O-N 2.91Å; M276-W279 PolarHBondContact O-N 3.32Å; W279-R281 PolarHBondContact O-N 3.44Å; W279-S282 PolarHBondContact O-N 2.93Å; W279-S282 VanDerWaalsContact O-N 3.15Å; W279-S282 PolarHBondContact O-OG 3.41Å; W279-Q283 HydrophobicContact CD2-CG 4.19Å; W279-Q283 HydrophobicContact CE3-CG 4.2Å; W279-Q283 HydrophobicContact CH2-CG 3.97Å; W279-Q283 HydrophobicContact CZ2-CG 3.94Å; W279-Q283 HydrophobicContact CZ3-CG 4.1Å; W279-Q283 VanDerWaalsContact O-CG 3.27Å; W279-Q283 WeakPolarHBondContact O-CG 3.41Å; W279-Q283 PolarHBondContact O-N 3.08Å; W279-Q283 PolarHBondContact O-NE2 3.19Å; W279-I290 HydrophobicContact CH2-CG2 3.89Å; W279-I290 HydrophobicContact CZ2-CG2 4.29Å; W279-I293 HydrophobicContact CZ3-CD1 4.33Å; W279-I293 HydrophobicContact CZ3-CG2 4.46Å
280I95.6Very high89.8Confident1 Ų157.8 Ų57.81%0.00529%0.291CS..Hα-helixtrans-56.9-49.7-179.7-68.6169.6000111V247 M276 M277 S282 Q283 I293 F303 A306 V307 L310V247-I280 HydrophobicContact CG2-CG1 4.49Å; M276-I280 WeakPolarHBondContact O-CG1 3.31Å; M276-I280 PolarHBondContact O-N 2.91Å; M277-I280 PolarHBondContact O-N 2.75Å; M277-I280 HydrophobicContact SD-CD1 4.02Å; I280-S282 PolarHBondContact O-N 3.34Å; I280-Q283 WeakPolarHBondContact O-CB 3.44Å; I280-Q283 PolarHBondContact O-N 3.39Å; I280-Q283 VanDerWaalsContact O-N 3.09Å; I280-I293 HydrophobicContact CD1-CG2 4.34Å; I280-I293 HydrophobicContact CG1-CG2 4.34Å; I280-I293 HydrophobicContact CG2-CD1 4.4Å; I280-F303 HydrophobicContact CD1-CD2 3.56Å; I280-F303 HydrophobicContact CD1-CE2 3.77Å; I280-A306 HydrophobicContact CG2-CB 4.28Å; I280-V307 HydrophobicContact CG2-CG2 3.81Å; I280-L310 HydrophobicContact CG2-CD1 4.5Å
281R95.3Very high90.5Very high126 Ų12654.1 Ų54.148%0.47527%0.273SS..Hα-helixtrans-66.5-18.6-177.8-70.8176.4178.6135.6-2.3113.5M277 W279 E302 A306M277-R281 WeakPolarHBondContact O-CB 3.27Å; M277-R281 VanDerWaalsContact O-CG 3.31Å; M277-R281 WeakPolarHBondContact O-CG 3.38Å; M277-R281 PolarHBondContact O-N 3.41Å; W279-R281 PolarHBondContact O-N 3.44Å; R281-E302 IonicContact NH2-OE2 3.53Å; R281-E302 PolarHBondContact NH2-OE2 2.92Å; R281-A306 HydrophobicContact CG-CB 4.43Å
282S93.9Very high91.4Very high84 Ų8444.9 Ų44.959%0.58724%0.239SC*.THydrogen-bonded Turntrans-89.9-2176.279.70000113.7Q278 W279 I280Q278-S282 PolarHBondContact O-N 3.22Å; W279-S282 PolarHBondContact O-N 2.93Å; W279-S282 VanDerWaalsContact O-N 3.15Å; W279-S282 PolarHBondContact O-OG 3.41Å; I280-S282 PolarHBondContact O-N 3.34Å
283Q94.3Very high92.2Very high24 Ų2444.8 Ų44.811%0.11224%0.237CC..  trans-84.2161.2-178-57.1-47.2-64.500112W279 I280 I290 L310W279-Q283 HydrophobicContact CD2-CG 4.19Å; W279-Q283 HydrophobicContact CE3-CG 4.2Å; W279-Q283 HydrophobicContact CH2-CG 3.97Å; W279-Q283 HydrophobicContact CZ2-CG 3.94Å; W279-Q283 HydrophobicContact CZ3-CG 4.1Å; W279-Q283 VanDerWaalsContact O-CG 3.27Å; W279-Q283 WeakPolarHBondContact O-CG 3.41Å; W279-Q283 PolarHBondContact O-N 3.08Å; W279-Q283 PolarHBondContact O-NE2 3.19Å; I280-Q283 WeakPolarHBondContact O-CB 3.44Å; I280-Q283 PolarHBondContact O-N 3.39Å; I280-Q283 VanDerWaalsContact O-N 3.09Å; Q283-I290 HydrophobicContact CB-CB 4.46Å; Q283-I290 HydrophobicContact CB-CG1 3.67Å; Q283-I290 HydrophobicContact CB-CG2 3.92Å; Q283-I290 HydrophobicContact CG-CG1 4.36Å; Q283-I290 HydrophobicContact CG-CG2 3.79Å; Q283-L310 HydrophobicContact CB-CD1 4.25Å; Q283-L310 WeakPolarHBondContact O-CD2 3.44Å
284R93.5Very high92.7Very high104 Ų10443.3 Ų43.339%0.39223%0.23SC..  trans-127.7138.5164.5-66.1-165.5-178.7-114.83.7109.6G289 I290 E317R284-G289 WeakPolarHBondContact O-CA 3.35Å; R284-I290 PolarHBondContact O-N 3.39Å; R284-E317 IonicContact CZ-OE1 3.63Å; R284-E317 IonicContact CZ-OE2 3.89Å; R284-E317 VanDerWaalsContact NH1-CD 3.31Å; R284-E317 IonicContact NH1-OE1 3.35Å; R284-E317 PolarHBondContact NH1-OE1 3.35Å; R284-E317 IonicContact NH1-OE2 2.62Å; R284-E317 PolarHBondContact NH1-OE2 2.78Å; R284-E317 IonicContact NH2-OE1 3.2Å; R284-E317 PolarHBondContact NH2-OE1 3.1Å
285P93.8Very high93Very high11 Ų1139.1 Ų39.17%0.07120%0.203CC..BIsolated β-bridgetrans-72.5164.3171.433.4-33.5000110.2N30 A32 I290N30-P285 WeakPolarHBondContact O-CB 3.1Å; A32-P285 HydrophobicContact CB-CB 4.08Å; A32-P285 HydrophobicContact CB-CG 4.37Å; P285-I290 WeakPolarHBondContact CA-O 3.43Å; P285-I290 HydrophobicContact CB-CD1 3.93Å
286G89.3Confident93.1Very high18 Ų1838.1 Ų38.119%0.18619%0.191CC..SBendtrans136.4-178.517700000113.5N30 R236 N288 G289N30-G286 PolarHBondContact O-N 3.26Å; R236-G286 PolarHBondContact NH1-O 3.48Å; G286-N288 PolarHBondContact O-N 3.24Å; G286-G289 PolarHBondContact O-N 3.49Å
287E84.1Confident93.1Very high114 Ų11438 Ų3853%0.53319%0.19SC..THydrogen-bonded Turntrans-57.6-35.4-176.9-173.3178.6-175.100112.5N30N30-E287 PolarHBondContact OD1-N 3.4Å
288N84.4Confident93Very high118 Ų11837.7 Ų37.763%0.63119%0.189SC*.THydrogen-bonded Turntrans-105.210.7177.7-60.3-55.5000113G286G286-N288 PolarHBondContact O-N 3.24Å
289G90.5Very high92.8Very high11 Ų1133.6 Ų33.611%0.11317%0.17CC..SBendtrans-113-160.7-171.700000113.2R236 R284 G286R236-G289 PolarHBondContact NH1-O 3.18Å; R284-G289 WeakPolarHBondContact O-CA 3.35Å; G286-G289 PolarHBondContact O-N 3.49Å
290I93.2Very high92.5Very high0 Ų034.2 Ų34.20%017%0.174CC..BIsolated β-bridgetrans-76.4166.5171.257.478.6000111.7A32 V233 R236 W279 Q283 R284 P285 I293 L310A32-I290 HydrophobicContact CB-CD1 3.51Å; V233-I290 HydrophobicContact CG2-CG2 3.83Å; R236-I290 VanDerWaalsContact NH1-C 3.3Å; R236-I290 PolarHBondContact NH1-O 2.85Å; R236-I290 VanDerWaalsContact NH1-O 3.16Å; W279-I290 HydrophobicContact CH2-CG2 3.89Å; W279-I290 HydrophobicContact CZ2-CG2 4.29Å; Q283-I290 HydrophobicContact CB-CB 4.46Å; Q283-I290 HydrophobicContact CB-CG1 3.67Å; Q283-I290 HydrophobicContact CB-CG2 3.92Å; Q283-I290 HydrophobicContact CG-CG1 4.36Å; Q283-I290 HydrophobicContact CG-CG2 3.79Å; R284-I290 PolarHBondContact O-N 3.39Å; P285-I290 WeakPolarHBondContact CA-O 3.43Å; P285-I290 HydrophobicContact CB-CD1 3.93Å; I290-I293 HydrophobicContact CB-CD1 4.3Å; I290-I293 HydrophobicContact CB-CG1 4.42Å; I290-I293 HydrophobicContact CD1-CD1 4Å; I290-I293 HydrophobicContact CD1-CG1 4.41Å; I290-I293 HydrophobicContact CG1-CD1 4.05Å; I290-L310 HydrophobicContact CD1-CD1 3.98Å; I290-L310 HydrophobicContact CG1-CD1 4.34Å
291N95.8Very high92Very high0 Ų035.6 Ų35.60%019%0.188CC..  trans-133.7-97.9169.5175.2-146.7000109.5L28 A29 M31 A32 I33 F243L28-N291 PolarHBondContact O-ND2 2.89Å; A29-N291 VanDerWaalsContact O-CB 3.3Å; A29-N291 WeakPolarHBondContact O-CB 2.91Å; A29-N291 PolarHBondContact O-ND2 3.04Å; M31-N291 CarbonylContact O-C 3.52Å; M31-N291 VanDerWaalsContact O-CA 3.24Å; M31-N291 WeakPolarHBondContact O-CA 3.49Å; M31-N291 PolarHBondContact O-ND2 3.48Å; A32-N291 WeakPolarHBondContact CA-O 3.42Å; I33-N291 PolarHBondContact N-O 2.91Å; F243-N291 HydrophobicContact CB-CB 4.42Å; F243-N291 PolarHBondContact N-OD1 3.01Å; F243-N291 VanDerWaalsContact N-OD1 3.16Å; F243-N291 WeakPolarHBondContact O-CB 3.21Å
292I97.9Very high91.8Very high0 Ų035.5 Ų35.50%019%0.193CC..EExtended strand (participates in β ladder)trans-82.1133.6175.5-65149.4000108.3I33 F94 F141 M212 F242 F243 V244 S245 T294I33-I292 HydrophobicContact CB-CG1 3.92Å; I33-I292 HydrophobicContact CD1-CG1 4.3Å; I33-I292 HydrophobicContact CG2-CG1 4.28Å; I33-I292 WeakPolarHBondContact O-CA 3.42Å; F94-I292 HydrophobicContact CB-CG2 3.7Å; F94-I292 HydrophobicContact CD1-CG2 3.79Å; F94-I292 HydrophobicContact CD2-CD1 3.61Å; F94-I292 HydrophobicContact CD2-CG1 4.21Å; F94-I292 HydrophobicContact CD2-CG2 3.79Å; F94-I292 HydrophobicContact CE1-CG2 4.36Å; F94-I292 HydrophobicContact CE2-CD1 4.03Å; F94-I292 HydrophobicContact CE2-CG2 4.37Å; F94-I292 HydrophobicContact CG-CD1 4.39Å; F94-I292 HydrophobicContact CG-CG2 3.47Å; F94-I292 VanDerWaalsContact CG-CG2 3.47Å; F141-I292 HydrophobicContact CD1-CD1 4.31Å; M212-I292 HydrophobicContact CE-CD1 3.65Å; M212-I292 HydrophobicContact SD-CD1 3.56Å; M212-I292 VanDerWaalsContact SD-CD1 3.56Å; F242-I292 HydrophobicContact CB-CD1 4.49Å; F243-I292 PolarHBondContact O-N 3.25Å; V244-I292 WeakPolarHBondContact CA-O 3.38Å; V244-I292 HydrophobicContact CG1-CG2 4.16Å; V244-I292 HydrophobicContact CG2-CB 4.2Å; V244-I292 HydrophobicContact CG2-CD1 4.4Å; V244-I292 HydrophobicContact CG2-CG2 4.18Å; S245-I292 PolarHBondContact N-O 2.93Å; I292-T294 HydrophobicContact CG2-CG2 4.17Å
293I98.1Very high91.9Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-117.6124.3173.4-57.3-179.4000106.9I33 G35 S245 V247 W279 I280 I290 F303 V307 L310I33-I293 PolarHBondContact O-N 3.25Å; G35-I293 PolarHBondContact N-O 2.8Å; S245-I293 WeakPolarHBondContact O-CA 3.47Å; V247-I293 HydrophobicContact CB-CG2 4.5Å; V247-I293 HydrophobicContact CG2-CG2 3.51Å; W279-I293 HydrophobicContact CZ3-CD1 4.33Å; W279-I293 HydrophobicContact CZ3-CG2 4.46Å; I280-I293 HydrophobicContact CD1-CG2 4.34Å; I280-I293 HydrophobicContact CG1-CG2 4.34Å; I280-I293 HydrophobicContact CG2-CD1 4.4Å; I290-I293 HydrophobicContact CB-CD1 4.3Å; I290-I293 HydrophobicContact CB-CG1 4.42Å; I290-I293 HydrophobicContact CD1-CD1 4Å; I290-I293 HydrophobicContact CD1-CG1 4.41Å; I290-I293 HydrophobicContact CG1-CD1 4.05Å; I293-F303 HydrophobicContact CG2-CE2 3.8Å; I293-F303 HydrophobicContact CG2-CZ 4.24Å; I293-F303 WeakPolarHBondContact O-CZ 3.47Å; I293-V307 HydrophobicContact CB-CG1 4.42Å; I293-V307 HydrophobicContact CB-CG2 4.16Å; I293-V307 HydrophobicContact CD1-CG1 4.33Å; I293-V307 HydrophobicContact CD1-CG2 4.13Å; I293-V307 HydrophobicContact CG2-CG2 4.38Å; I293-L310 HydrophobicContact CD1-CD1 4.3Å
294T97.4Very high92Very high2 Ų231.2 Ų31.21%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-109.7148.8175.257.20000111.5G35 F94 V244 S245 Q246 V247 I292G35-T294 WeakPolarHBondContact O-CA 3.34Å; F94-T294 HydrophobicContact CD1-CG2 3.57Å; F94-T294 HydrophobicContact CE1-CG2 3.65Å; V244-T294 HydrophobicContact CG1-CG2 3.66Å; S245-T294 PolarHBondContact O-N 3.36Å; Q246-T294 WeakPolarHBondContact CA-OG1 3.05Å; V247-T294 WeakPolarHBondContact CA-O 3.24Å; V247-T294 WeakPolarHBondContact CB-O 3.36Å; V247-T294 PolarHBondContact N-O 2.95Å; I292-T294 HydrophobicContact CG2-CG2 4.17Å
295A94.6Very high92.1Very high4 Ų427.7 Ų27.73%0.03316%0.155CC..EExtended strand (participates in β ladder)trans-144.6160.917400000111.3G35 H37 Q80 V298 F303G35-A295 PolarHBondContact O-N 2.91Å; H37-A295 PolarHBondContact N-O 2.96Å; H37-A295 VanDerWaalsContact N-O 3.14Å; Q80-A295 PolarHBondContact NE2-O 3.39Å; A295-V298 WeakPolarHBondContact O-CG1 3.5Å; A295-F303 HydrophobicContact CB-CD1 4.42Å; A295-F303 HydrophobicContact CB-CD2 3.96Å; A295-F303 HydrophobicContact CB-CE1 4.17Å; A295-F303 HydrophobicContact CB-CE2 3.68Å; A295-F303 HydrophobicContact CB-CG 4.32Å; A295-F303 HydrophobicContact CB-CZ 3.79Å
296D91Very high92.3Very high7 Ų727.7 Ų27.74%0.03716%0.156CC..SBendtrans-81.9144.7162.4-65.6-19.8000109.2H37 T79H37-D296 IonicContact CE1-OD1 3.4Å; H37-D296 IonicContact CG-OD1 3.5Å; H37-D296 IonicContact ND1-OD1 3.15Å; H37-D296 PolarHBondContact ND1-OD1 3.27Å; T79-D296 VanDerWaalsContact CB-OD1 3.25Å; T79-D296 WeakPolarHBondContact CB-OD1 3.36Å; T79-D296 CarbonylContact O-C 3.48Å; T79-D296 WeakPolarHBondContact O-CA 3.25Å
297F90.2Very high92.7Very high9 Ų926.9 Ų26.94%0.03915%0.147CC..SBendtrans53.562.5178.2-51.6-72.7000111.5A78 T79 T81 L264 R265 T269 E299 L300A78-F297 WeakPolarHBondContact O-CZ 3.38Å; T79-F297 PolarHBondContact O-N 3.16Å; T81-F297 HydrophobicContact CG2-CD1 3.99Å; T81-F297 HydrophobicContact CG2-CE1 4.17Å; L264-F297 HydrophobicContact CB-CE2 4.42Å; L264-F297 HydrophobicContact CD2-CE2 4.25Å; L264-F297 HydrophobicContact CG-CE2 4.15Å; R265-F297 VanDerWaalsContact CA-CE2 3.48Å; R265-F297 HydrophobicContact CB-CD1 4.49Å; R265-F297 HydrophobicContact CB-CD2 3.98Å; R265-F297 HydrophobicContact CB-CE1 4.1Å; R265-F297 HydrophobicContact CB-CE2 3.54Å; R265-F297 HydrophobicContact CB-CG 4.42Å; R265-F297 HydrophobicContact CB-CZ 3.6Å; R265-F297 HydrophobicContact CG-CD1 4.43Å; R265-F297 HydrophobicContact CG-CD2 4.1Å; R265-F297 HydrophobicContact CG-CE1 4.49Å; R265-F297 HydrophobicContact CG-CE2 4.18Å; R265-F297 HydrophobicContact CG-CG 4.22Å; R265-F297 HydrophobicContact CG-CZ 4.36Å; T269-F297 HydrophobicContact CG2-CD2 4.06Å; F297-E299 WeakPolarHBondContact CA-OE2 3.49Å; F297-E299 PolarHBondContact O-N 2.92Å; F297-L300 HydrophobicContact CB-CD1 3.64Å; F297-L300 HydrophobicContact CB-CG 3.88Å; F297-L300 HydrophobicContact CG-CD1 4.41Å; F297-L300 VanDerWaalsContact O-CB 3.3Å; F297-L300 WeakPolarHBondContact O-CB 3.29Å; F297-L300 WeakPolarHBondContact O-CG 3.26Å; F297-L300 PolarHBondContact O-N 3.22Å
298V92.1Very high93.3Very high1 Ų121.6 Ų21.61%0.00612%0.122CC..THydrogen-bonded Turntrans-59.3-15.3-172.3-64.10000114.4M82 Q87 I92 A295 L300 F303 I304M82-V298 HydrophobicContact SD-CG2 4.26Å; Q87-V298 HydrophobicContact CG-CG2 4.41Å; I92-V298 HydrophobicContact CD1-CB 3.88Å; I92-V298 HydrophobicContact CD1-CG1 3.85Å; I92-V298 HydrophobicContact CD1-CG2 3.97Å; I92-V298 HydrophobicContact CG1-CG2 4.06Å; A295-V298 WeakPolarHBondContact O-CG1 3.5Å; V298-L300 PolarHBondContact O-N 2.96Å; V298-F303 HydrophobicContact CB-CD1 3.84Å; V298-F303 HydrophobicContact CB-CE1 4.11Å; V298-F303 HydrophobicContact CG1-CD1 3.99Å; V298-F303 HydrophobicContact CG1-CE1 3.79Å; V298-I304 HydrophobicContact CB-CD1 4.35Å; V298-I304 HydrophobicContact CB-CG1 4.32Å; V298-I304 HydrophobicContact CG2-CD1 4.27Å; V298-I304 WeakPolarHBondContact O-CG1 3.43Å
299E89.2Confident93.9Very high64 Ų6418.6 Ų18.630%0.29911%0.111SC..THydrogen-bonded Turntrans-70.1-14.6172.173.5-86-160.300114T81 M82 R265 F297T81-E299 PolarHBondContact OG1-OE1 3.33Å; T81-E299 PolarHBondContact OG1-OE2 2.89Å; M82-E299 HydrophobicContact SD-CB 3.85Å; R265-E299 IonicContact CZ-OE1 3.13Å; R265-E299 IonicContact NH1-OE1 2.97Å; R265-E299 PolarHBondContact NH1-OE1 2.9Å; F297-E299 WeakPolarHBondContact CA-OE2 3.49Å; F297-E299 PolarHBondContact O-N 2.92Å
300L87.6Confident94.2Very high21 Ų2118.2 Ų18.211%0.1111%0.106CC..G310 helixtrans-82.4146.2-173.6-66.3-176.8000113.1R265 T269 E270 L273 F297 V298 E302 F303R265-L300 HydrophobicContact CG-CD1 4.31Å; T269-L300 HydrophobicContact CG2-CD1 4.14Å; E270-L300 HydrophobicContact CG-CD1 3.93Å; L273-L300 HydrophobicContact CD1-CB 4.18Å; L273-L300 HydrophobicContact CD2-CB 4.07Å; F297-L300 HydrophobicContact CB-CD1 3.64Å; F297-L300 HydrophobicContact CB-CG 3.88Å; F297-L300 HydrophobicContact CG-CD1 4.41Å; F297-L300 VanDerWaalsContact O-CB 3.3Å; F297-L300 WeakPolarHBondContact O-CB 3.29Å; F297-L300 WeakPolarHBondContact O-CG 3.26Å; F297-L300 PolarHBondContact O-N 3.22Å; V298-L300 PolarHBondContact O-N 2.96Å; L300-E302 PolarHBondContact O-N 3.28Å; L300-E302 VanDerWaalsContact O-N 3.09Å; L300-F303 VanDerWaalsContact O-CB 3.28Å; L300-F303 WeakPolarHBondContact O-CB 3.35Å; L300-F303 PolarHBondContact O-N 3.11Å
301G86.1Confident94.3Very high29 Ų2918.3 Ų18.330%0.29911%0.107SC..G310 helixtrans64.717.816400000115.9M277 F303M277-G301 VanDerWaalsContact CE-O 3.26Å; M277-G301 WeakPolarHBondContact CE-O 3.41Å; G301-F303 PolarHBondContact O-N 3.39Å
302E91.6Very high94.1Very high125 Ų12521.9 Ų21.958%0.58412%0.121SC*.G310 helixtrans60.929-172.2-53.8178.9135.300112.5R281 L300 I304 S305 A306R281-E302 IonicContact NH2-OE2 3.53Å; R281-E302 PolarHBondContact NH2-OE2 2.92Å; L300-E302 PolarHBondContact O-N 3.28Å; L300-E302 VanDerWaalsContact O-N 3.09Å; E302-I304 VanDerWaalsContact C-N 3.34Å; E302-I304 PolarHBondContact O-N 2.89Å; E302-S305 WeakPolarHBondContact CB-OG 3.46Å; E302-S305 PolarHBondContact O-N 3.45Å; E302-S305 PolarHBondContact O-OG 3.46Å; E302-S305 VanDerWaalsContact O-OG 3.12Å; E302-A306 VanDerWaalsContact O-CB 3.23Å; E302-A306 WeakPolarHBondContact O-CB 3.47Å; E302-A306 PolarHBondContact O-N 2.97Å
303F95.8Very high93.3Very high5 Ų525 Ų252%0.02214%0.135CC..Hα-helixtrans-49-53.3-179.2166.6-103.7000112.4P34 I92 M277 I280 I293 A295 V298 L300 G301 S305 A306 V307P34-F303 HydrophobicContact CB-CE1 4.29Å; I92-F303 HydrophobicContact CD1-CE1 4.29Å; M277-F303 HydrophobicContact SD-CB 4.3Å; I280-F303 HydrophobicContact CD1-CD2 3.56Å; I280-F303 HydrophobicContact CD1-CE2 3.77Å; I293-F303 HydrophobicContact CG2-CE2 3.8Å; I293-F303 HydrophobicContact CG2-CZ 4.24Å; I293-F303 WeakPolarHBondContact O-CZ 3.47Å; A295-F303 HydrophobicContact CB-CD1 4.42Å; A295-F303 HydrophobicContact CB-CD2 3.96Å; A295-F303 HydrophobicContact CB-CE1 4.17Å; A295-F303 HydrophobicContact CB-CE2 3.68Å; A295-F303 HydrophobicContact CB-CG 4.32Å; A295-F303 HydrophobicContact CB-CZ 3.79Å; V298-F303 HydrophobicContact CB-CD1 3.84Å; V298-F303 HydrophobicContact CB-CE1 4.11Å; V298-F303 HydrophobicContact CG1-CD1 3.99Å; V298-F303 HydrophobicContact CG1-CE1 3.79Å; L300-F303 VanDerWaalsContact O-CB 3.28Å; L300-F303 WeakPolarHBondContact O-CB 3.35Å; L300-F303 PolarHBondContact O-N 3.11Å; G301-F303 PolarHBondContact O-N 3.39Å; F303-S305 PolarHBondContact O-N 2.99Å; F303-A306 PolarHBondContact O-N 3.43Å; F303-V307 HydrophobicContact CD2-CG2 4.12Å; F303-V307 HydrophobicContact CE2-CG2 3.77Å; F303-V307 HydrophobicContact CZ-CG2 4.12Å; F303-V307 WeakPolarHBondContact O-CG2 3.36Å; F303-V307 PolarHBondContact O-N 3.46Å
304I96.4Very high91.6Very high13 Ų1329 Ų297%0.06715%0.154CC..Hα-helixtrans-63.1-49.7-173.7-57.1168000111.2P34 A90 I92 V298 E302 A306 V307 I308P34-I304 HydrophobicContact CB-CG2 4.17Å; P34-I304 HydrophobicContact CG-CG2 4.08Å; A90-I304 HydrophobicContact CB-CD1 3.63Å; A90-I304 WeakPolarHBondContact O-CG2 3.38Å; I92-I304 HydrophobicContact CD1-CD1 4.19Å; I92-I304 HydrophobicContact CD1-CG1 3.99Å; I92-I304 HydrophobicContact CG1-CD1 4.14Å; I92-I304 HydrophobicContact CG1-CG1 4.46Å; V298-I304 HydrophobicContact CB-CD1 4.35Å; V298-I304 HydrophobicContact CB-CG1 4.32Å; V298-I304 HydrophobicContact CG2-CD1 4.27Å; V298-I304 WeakPolarHBondContact O-CG1 3.43Å; E302-I304 VanDerWaalsContact C-N 3.34Å; E302-I304 PolarHBondContact O-N 2.89Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-A306 PolarHBondContact O-N 3.04Å; I304-V307 PolarHBondContact O-N 3.24Å; I304-I308 HydrophobicContact CG2-CD1 3.67Å; I304-I308 HydrophobicContact CG2-CG1 4.41Å; I304-I308 VanDerWaalsContact O-CG1 3.3Å; I304-I308 WeakPolarHBondContact O-CG1 3.43Å; I304-I308 PolarHBondContact O-N 2.92Å
305S95.9Very high89.7Confident30 Ų3031.5 Ų31.521%0.2117%0.167CC..Hα-helixtrans-66.8-36-179.759.80000112F12 E302 F303 I308 S309F12-S305 VanDerWaalsContact CZ-CB 3.48Å; E302-S305 WeakPolarHBondContact CB-OG 3.46Å; E302-S305 PolarHBondContact O-N 3.45Å; E302-S305 PolarHBondContact O-OG 3.46Å; E302-S305 VanDerWaalsContact O-OG 3.12Å; F303-S305 PolarHBondContact O-N 2.99Å; S305-I308 PolarHBondContact O-N 3.22Å; S305-S309 VanDerWaalsContact O-CB 3.28Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 2.94Å; S305-S309 PolarHBondContact O-OG 2.86Å
306A96.4Very high87.6Confident11 Ų1136.1 Ų36.19%0.09119%0.191CC..Hα-helixtrans-62.3-45.917600000111.7M277 I280 R281 E302 F303 I304 S309 L310M277-A306 HydrophobicContact CE-CB 3.44Å; M277-A306 VanDerWaalsContact CE-CB 3.44Å; I280-A306 HydrophobicContact CG2-CB 4.28Å; R281-A306 HydrophobicContact CG-CB 4.43Å; E302-A306 VanDerWaalsContact O-CB 3.23Å; E302-A306 WeakPolarHBondContact O-CB 3.47Å; E302-A306 PolarHBondContact O-N 2.97Å; F303-A306 PolarHBondContact O-N 3.43Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-A306 PolarHBondContact O-N 3.04Å; A306-S309 PolarHBondContact O-N 3.33Å; A306-L310 WeakPolarHBondContact O-CG 3.38Å; A306-L310 PolarHBondContact O-N 2.85Å
307V97.8Very high85.6Confident0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-66.4-44.2177.81780000111.1A32 P34 I280 I293 F303 I304 S309 L310A32-V307 HydrophobicContact CB-CG1 4.14Å; A32-V307 WeakPolarHBondContact CB-O 3.48Å; P34-V307 HydrophobicContact CB-CB 4.1Å; P34-V307 HydrophobicContact CB-CG1 4.07Å; I280-V307 HydrophobicContact CG2-CG2 3.81Å; I293-V307 HydrophobicContact CB-CG1 4.42Å; I293-V307 HydrophobicContact CB-CG2 4.16Å; I293-V307 HydrophobicContact CD1-CG1 4.33Å; I293-V307 HydrophobicContact CD1-CG2 4.13Å; I293-V307 HydrophobicContact CG2-CG2 4.38Å; F303-V307 HydrophobicContact CD2-CG2 4.12Å; F303-V307 HydrophobicContact CE2-CG2 3.77Å; F303-V307 HydrophobicContact CZ-CG2 4.12Å; F303-V307 WeakPolarHBondContact O-CG2 3.36Å; F303-V307 PolarHBondContact O-N 3.46Å; I304-V307 PolarHBondContact O-N 3.24Å; V307-S309 VanDerWaalsContact C-N 3.29Å; V307-S309 PolarHBondContact O-N 3.05Å; V307-L310 WeakPolarHBondContact O-CB 3.37Å; V307-L310 PolarHBondContact O-N 2.99Å
308I97.5Very high83.5Confident3 Ų344.8 Ų44.82%0.01524%0.235CC..Hα-helixtrans-59.6-42.4177.3-69.9169.1000110.8F12 W15 P34 I304 S305 L310 N311 Y312F12-I308 HydrophobicContact CB-CD1 3.86Å; F12-I308 HydrophobicContact CD1-CD1 3.72Å; F12-I308 HydrophobicContact CD1-CG2 4.44Å; F12-I308 HydrophobicContact CD2-CD1 4.5Å; F12-I308 HydrophobicContact CE1-CD1 4.41Å; F12-I308 HydrophobicContact CG-CD1 3.78Å; W15-I308 HydrophobicContact CB-CD1 4.12Å; W15-I308 HydrophobicContact CB-CG2 4.19Å; W15-I308 HydrophobicContact CD2-CD1 4.09Å; W15-I308 HydrophobicContact CD2-CG1 3.92Å; W15-I308 HydrophobicContact CD2-CG2 4.13Å; W15-I308 HydrophobicContact CE3-CG1 4.28Å; W15-I308 HydrophobicContact CE3-CG2 3.9Å; W15-I308 HydrophobicContact CG-CD1 3.72Å; W15-I308 HydrophobicContact CG-CG1 4.1Å; W15-I308 HydrophobicContact CG-CG2 4.28Å; P34-I308 HydrophobicContact CG-CD1 4.34Å; P34-I308 HydrophobicContact CG-CG1 3.95Å; I304-I308 HydrophobicContact CG2-CD1 3.67Å; I304-I308 HydrophobicContact CG2-CG1 4.41Å; I304-I308 VanDerWaalsContact O-CG1 3.3Å; I304-I308 WeakPolarHBondContact O-CG1 3.43Å; I304-I308 PolarHBondContact O-N 2.92Å; S305-I308 PolarHBondContact O-N 3.22Å; I308-L310 PolarHBondContact O-N 3.24Å; I308-N311 WeakPolarHBondContact O-CB 3.44Å; I308-N311 PolarHBondContact O-N 3.17Å; I308-N311 VanDerWaalsContact O-N 3.15Å; I308-N311 PolarHBondContact O-ND2 3.02Å; I308-N311 VanDerWaalsContact O-ND2 3.11Å; I308-Y312 HydrophobicContact CG2-CE2 4.26Å
309S96.3Very high81.4Confident56 Ų5651.6 Ų51.639%0.39227%0.267SS..Hα-helixtrans-61.1-28.1-178.1-610000112.8S305 A306 V307 N311 Y312 H313S305-S309 VanDerWaalsContact O-CB 3.28Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 2.94Å; S305-S309 PolarHBondContact O-OG 2.86Å; A306-S309 PolarHBondContact O-N 3.33Å; V307-S309 VanDerWaalsContact C-N 3.29Å; V307-S309 PolarHBondContact O-N 3.05Å; S309-N311 PolarHBondContact O-N 3.42Å; S309-N311 VanDerWaalsContact O-N 3.08Å; S309-Y312 PolarHBondContact O-N 3.39Å; S309-H313 PolarHBondContact O-CD2 3.1Å; S309-H313 VanDerWaalsContact O-CD2 3.27Å
310L96.4Very high79.3Confident2 Ų254.1 Ų54.11%0.0128%0.282CS..G310 helixtrans-57-25.9177.3-64.7-179.2000113.2A32 I280 Q283 I290 I293 A306 V307 I308 Y312 H313A32-L310 HydrophobicContact CB-CB 3.65Å; A32-L310 HydrophobicContact CB-CD1 4.15Å; A32-L310 HydrophobicContact CB-CG 4.48Å; I280-L310 HydrophobicContact CG2-CD1 4.5Å; Q283-L310 HydrophobicContact CB-CD1 4.25Å; Q283-L310 WeakPolarHBondContact O-CD2 3.44Å; I290-L310 HydrophobicContact CD1-CD1 3.98Å; I290-L310 HydrophobicContact CG1-CD1 4.34Å; I293-L310 HydrophobicContact CD1-CD1 4.3Å; A306-L310 WeakPolarHBondContact O-CG 3.38Å; A306-L310 PolarHBondContact O-N 2.85Å; V307-L310 WeakPolarHBondContact O-CB 3.37Å; V307-L310 PolarHBondContact O-N 2.99Å; I308-L310 PolarHBondContact O-N 3.24Å; L310-Y312 PolarHBondContact O-N 3.27Å; L310-H313 VanDerWaalsContact CA-CD2 3.47Å; L310-H313 WeakPolarHBondContact CA-CD2 3.39Å
311N96.4Very high77.3Confident2 Ų258.8 Ų58.81%0.01131%0.307CS..G310 helixtrans-72.9-8.6177.4-64-63.9000114.2W15 L19 M23 A32 I308 S309W15-N311 WeakPolarHBondContact CZ3-ND2 3.21Å; L19-N311 HydrophobicContact CD2-CB 3.76Å; M23-N311 HydrophobicContact CE-CB 4.11Å; A32-N311 PolarHBondContact N-OD1 3.17Å; A32-N311 PolarHBondContact O-ND2 3.35Å; I308-N311 WeakPolarHBondContact O-CB 3.44Å; I308-N311 PolarHBondContact O-N 3.17Å; I308-N311 VanDerWaalsContact O-N 3.15Å; I308-N311 PolarHBondContact O-ND2 3.02Å; I308-N311 VanDerWaalsContact O-ND2 3.11Å; S309-N311 PolarHBondContact O-N 3.42Å; S309-N311 VanDerWaalsContact O-N 3.08Å
312Y92.4Very high75.4Confident76 Ų7664.9 Ų64.930%0.29833%0.333SS..G310 helixtrans-103.6-6.4-179.4-62.3-94.1000113L19 I308 S309 L310 H314 L315L19-Y312 HydrophobicContact CD2-CE1 4.34Å; L19-Y312 HydrophobicContact CD2-CE2 3.9Å; I308-Y312 HydrophobicContact CG2-CE2 4.26Å; S309-Y312 PolarHBondContact O-N 3.39Å; L310-Y312 PolarHBondContact O-N 3.27Å; Y312-H314 VanDerWaalsContact C-N 3.3Å; Y312-H314 PolarHBondContact O-N 3.28Å; Y312-L315 HydrophobicContact CD1-CD1 3.88Å; Y312-L315 PolarHBondContact O-N 2.77Å
313H79.3Confident73.2Confident64 Ų6462.8 Ų62.830%0.29634%0.337SS..THydrogen-bonded Turntrans-63.8-29.1-171.3-82.9-121.9000114.7S309 L310 L315S309-H313 PolarHBondContact O-CD2 3.1Å; S309-H313 VanDerWaalsContact O-CD2 3.27Å; L310-H313 VanDerWaalsContact CA-CD2 3.47Å; L310-H313 WeakPolarHBondContact CA-CD2 3.39Å; H313-L315 VanDerWaalsContact C-N 3.35Å
314H63.3Low70.5Confident86 Ų8670.7 Ų70.740%0.39839%0.386SS..THydrogen-bonded Turntrans-77.2-20.9179.8-66.3-62.1000113.3Y312 N316 E317Y312-H314 VanDerWaalsContact C-N 3.3Å; Y312-H314 PolarHBondContact O-N 3.28Å; H314-N316 VanDerWaalsContact C-N 3.34Å; H314-E317 IonicContact ND1-OE2 2.84Å
315L56.4Low69.2Low54 Ų5473.6 Ų73.628%0.28340%0.402SS..Hα-helixtrans-74.5-28.5-179.7-56.2165.1000112.1P20 Y312 H313P20-L315 HydrophobicContact CB-CD1 4.23Å; P20-L315 HydrophobicContact CB-CD2 4.47Å; P20-L315 HydrophobicContact CG-CD1 3.62Å; P20-L315 HydrophobicContact CG-CD2 4.18Å; P20-L315 HydrophobicContact CG-CG 4.45Å; Y312-L315 HydrophobicContact CD1-CD1 3.88Å; Y312-L315 PolarHBondContact O-N 2.77Å; H313-L315 VanDerWaalsContact C-N 3.35Å
316N50.9Low67.8Low101 Ų10175.8 Ų75.854%0.5441%0.412SS..Hα-helixtrans-82.1-18.5-178-62.2-16.4000112.5H314H314-N316 VanDerWaalsContact C-N 3.34Å
317E50.4Low66.2Low87 Ų8779.4 Ų79.441%0.40743%0.429SS..Hα-helixtrans-83.2-36.1178.1-72.1173.9162.500111.2R284 H314 D320 D321R284-E317 IonicContact CZ-OE1 3.63Å; R284-E317 IonicContact CZ-OE2 3.89Å; R284-E317 VanDerWaalsContact NH1-CD 3.31Å; R284-E317 IonicContact NH1-OE1 3.35Å; R284-E317 PolarHBondContact NH1-OE1 3.35Å; R284-E317 IonicContact NH1-OE2 2.62Å; R284-E317 PolarHBondContact NH1-OE2 2.78Å; R284-E317 IonicContact NH2-OE1 3.2Å; R284-E317 PolarHBondContact NH2-OE1 3.1Å; H314-E317 IonicContact ND1-OE2 2.84Å; E317-D320 PolarHBondContact O-N 3.07Å; E317-D321 PolarHBondContact O-N 3.4Å
318D45.9Very low64.4Low111 Ų11184.1 Ų84.159%0.59446%0.455SS*.Hα-helixtrans-71.4-29.6177-67.1-27000112.6D322D318-D322 PolarHBondContact O-N 3.4Å
319E46.4Very low62.3Low144 Ų14489.2 Ų89.267%0.67348%0.482SS*.Hα-helixtrans-70.9-29.5174.1-77.3-173170.600113.2A323E319-A323 WeakPolarHBondContact O-CB 3.2Å
320D46.1Very low60Low116 Ų11691.4 Ų91.462%0.6249%0.488SS*.Hα-helixtrans-79.5-32.2177.8-84.1-20.5000111.8E317 A323E317-D320 PolarHBondContact O-N 3.07Å; D320-A323 PolarHBondContact O-N 3.07Å
321D44.5Very low57.4Low119 Ų11997.8 Ų97.864%0.63652%0.522SS*.Hα-helixtrans-74.8-35.8176.7-91.4-7.3000112.5E317 A323 T324E317-D321 PolarHBondContact O-N 3.4Å; D321-A323 PolarHBondContact O-N 2.92Å; D321-T324 PolarHBondContact O-N 3.16Å; D321-T324 PolarHBondContact O-OG1 2.8Å; D321-T324 VanDerWaalsContact O-OG1 3.06Å
322D46.2Very low54.4Low158 Ų158105.2 Ų105.285%0.84556%0.562SS**THydrogen-bonded Turntrans-75-7.7174.1-95.5-8.6000113.4D318D318-D322 PolarHBondContact O-N 3.4Å
323A46.9Very low51.3Low81 Ų81107.6 Ų107.667%0.66958%0.584SS**THydrogen-bonded Turntrans-98.74.1176.100000114E319 D320 D321E319-A323 WeakPolarHBondContact O-CB 3.2Å; D320-A323 PolarHBondContact O-N 3.07Å; D321-A323 PolarHBondContact O-N 2.92Å
324T38.8Very low48.7Very low170 Ų170111.5 Ų111.5100%1.04361%0.61SS**  trans-111.70176.758.40000113.7D321D321-T324 PolarHBondContact O-N 3.16Å; D321-T324 PolarHBondContact O-OG1 2.8Å; D321-T324 VanDerWaalsContact O-OG1 3.06Å

Retrieved 324 of 324 residues in 67.6 ms (Link to these results)

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