A0A060XJT2_ONCMY Loading...

Short chain dehydrogenase/reductase family 42E, member 1

AlphaFold DB , UniProt , Accession A0A060XJT2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 386 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
1M36.1Very low74Confident243 Ų243100.6 Ų100.6100%1.19750%0.499SS*.  096.90-79.217370.100107.6K3M1-K3 PolarHBondContact O-N 2.92Å
2E38.3Very low76Confident196 Ų19692.3 Ų92.392%0.91646%0.458SS*.PPolyproline II helixtrans-67.2119.2171.6-159.8166.3-168.700106.8A4E2-A4 PolarHBondContact O-N 3.24Å
3K42.3Very low77.7Confident201 Ų20186.1 Ų86.187%0.87443%0.432SS*.PPolyproline II helixtrans-58.6124.1176.2-82.5178.3175.2178.80107M1 R5M1-K3 PolarHBondContact O-N 2.92Å; K3-R5 PolarHBondContact O-N 3.38Å
4A59.8Low79.1Confident96 Ų9679.9 Ų79.979%0.79340%0.401SS*.PPolyproline II helixtrans-49119.8173.900000109E2 I6E2-A4 PolarHBondContact O-N 3.24Å; A4-I6 PolarHBondContact O-N 3.27Å
5R74Confident80.3Confident196 Ų19675.8 Ų75.874%0.7438%0.383SS*.PPolyproline II helixtrans-63.8121.8-178.8177176.8164.7165.9-5.7108.2K3 C7 D70K3-R5 PolarHBondContact O-N 3.38Å; R5-C7 PolarHBondContact O-N 2.96Å; R5-D70 IonicContact CZ-OD1 3.04Å; R5-D70 IonicContact NE-OD1 3.62Å; R5-D70 IonicContact NH2-OD1 2.72Å; R5-D70 PolarHBondContact NH2-OD1 3.24Å
6I81.3Confident81.2Confident92 Ų9272.8 Ų72.847%0.47238%0.377SS..PPolyproline II helixtrans-65.9119.1175.2-61.5172000108.1A4 G30 K32A4-I6 PolarHBondContact O-N 3.27Å; I6-G30 WeakPolarHBondContact CG2-O 3.48Å; I6-K32 HydrophobicContact CG2-CD 4.37Å; I6-K32 HydrophobicContact CG2-CG 3.89Å
7C89.3Confident82Confident42 Ų4270.8 Ų70.828%0.28436%0.364SS..PPolyproline II helixtrans-68140.7176.1-74.80000111.3R5 F9 K32 D70R5-C7 PolarHBondContact O-N 2.96Å; C7-F9 HydrophobicContact CB-CE1 4.39Å; C7-F9 HydrophobicContact CB-CE2 3.82Å; C7-F9 HydrophobicContact CB-CZ 3.72Å; C7-K32 PolarHBondContact O-N 3.47Å; C7-D70 WeakPolarHBondContact CA-OD2 3.49Å
8T96.6Very high82.9Confident22 Ų2267.6 Ų67.614%0.13535%0.347CS..EExtended strand (participates in β ladder)trans-112.7115.8177.4-51.80000109.6K32 I34 M69 D70T8-K32 CarbonylContact C-O 3.49Å; T8-K32 WeakPolarHBondContact CA-O 3.35Å; T8-K32 HydrophobicContact CG2-CB 4.04Å; T8-I34 HydrophobicContact CG2-CD1 3.3Å; T8-M69 HydrophobicContact CG2-CE 3.78Å; T8-M69 HydrophobicContact CG2-SD 3.74Å; T8-D70 PolarHBondContact N-OD2 2.86Å; T8-D70 PolarHBondContact O-N 2.92Å
9F98.3Very high83.7Confident19 Ų1964.1 Ų64.18%0.08333%0.329CS..EExtended strand (participates in β ladder)trans-108131.3-176.6-62.8-67.4000111.4C7 L26 A31 K32 I34 C71 F73C7-F9 HydrophobicContact CB-CE1 4.39Å; C7-F9 HydrophobicContact CB-CE2 3.82Å; C7-F9 HydrophobicContact CB-CZ 3.72Å; F9-L26 HydrophobicContact CB-CD1 4.28Å; F9-L26 HydrophobicContact CD2-CB 4.39Å; F9-L26 HydrophobicContact CD2-CD1 4.02Å; F9-L26 HydrophobicContact CD2-CD2 4.21Å; F9-L26 HydrophobicContact CD2-CG 4.46Å; F9-L26 HydrophobicContact CE2-CD2 4.01Å; F9-L26 HydrophobicContact CG-CD1 4.15Å; F9-A31 HydrophobicContact CD2-CB 3.53Å; F9-A31 HydrophobicContact CE2-CB 3.5Å; F9-A31 VanDerWaalsContact CE2-CB 3.5Å; F9-K32 PolarHBondContact N-O 3.26Å; F9-I34 PolarHBondContact O-N 3.5Å; F9-C71 WeakPolarHBondContact CA-O 3.39Å; F9-C71 HydrophobicContact CD1-CB 3.6Å; F9-C71 HydrophobicContact CE1-CB 3.66Å; F9-F73 HydrophobicContact CB-CD2 4.37Å; F9-F73 HydrophobicContact CB-CE2 4.25Å; F9-F73 HydrophobicContact CD1-CD2 4.31Å; F9-F73 AromaticContact CD1-CE2 3.58Å; F9-F73 HydrophobicContact CD1-CE2 3.58Å; F9-F73 HydrophobicContact CD1-CZ 4.48Å; F9-F73 HydrophobicContact CE1-CE2 4.1Å; F9-F73 AromaticContact CG-CE2 3.98Å; F9-F73 HydrophobicContact CG-CE2 3.98Å
10L98.8Very high84.3Confident0 Ų062 Ų620%032%0.317CS..EExtended strand (participates in β ladder)trans-96.5133.6165.7-178.571.1000110T12 I34 F36 A65 V66 M69 C71 V72 F73L10-T12 HydrophobicContact CD2-CG2 4.32Å; L10-I34 HydrophobicContact CD1-CB 3.93Å; L10-I34 HydrophobicContact CD1-CG2 3.72Å; L10-F36 HydrophobicContact CD1-CB 3.81Å; L10-A65 HydrophobicContact CD1-CB 4.15Å; L10-A65 HydrophobicContact CD2-CB 4.08Å; L10-V66 HydrophobicContact CD2-CB 4.39Å; L10-V66 HydrophobicContact CD2-CG2 3.59Å; L10-M69 HydrophobicContact CB-CB 4.44Å; L10-M69 HydrophobicContact CB-CG 3.8Å; L10-M69 HydrophobicContact CB-SD 3.9Å; L10-C71 PolarHBondContact N-O 3.01Å; L10-C71 VanDerWaalsContact N-O 3.07Å; L10-V72 HydrophobicContact CB-CG2 4.17Å; L10-V72 HydrophobicContact CD2-CG1 4.29Å; L10-V72 HydrophobicContact CD2-CG2 4.18Å; L10-V72 CarbonylContact O-C 3.55Å; L10-V72 WeakPolarHBondContact O-CA 3.45Å; L10-F73 PolarHBondContact O-N 2.77Å
11I98.8Very high85Confident0 Ų061.6 Ų61.60%031%0.312CS..EExtended strand (participates in β ladder)trans-120.3104.4173.6-50-174.9000108.9G14 L22 A23 L26 V33 I34 L35 F36 F73 I75I11-G14 PolarHBondContact O-N 3.19Å; I11-L22 HydrophobicContact CD1-CB 4.42Å; I11-L22 HydrophobicContact CD1-CD2 4.27Å; I11-L22 HydrophobicContact CD1-CG 4.13Å; I11-A23 HydrophobicContact CD1-CB 3.74Å; I11-L26 HydrophobicContact CD1-CD1 4.15Å; I11-V33 HydrophobicContact CD1-CG1 3.89Å; I11-V33 HydrophobicContact CG1-CG1 4.25Å; I11-I34 PolarHBondContact N-O 3.04Å; I11-L35 HydrophobicContact CB-CD2 4.46Å; I11-F36 PolarHBondContact O-N 3.14Å; I11-F73 HydrophobicContact CG1-CB 4.26Å; I11-F73 HydrophobicContact CG1-CD2 4.23Å; I11-F73 HydrophobicContact CG2-CB 4.32Å; I11-I75 HydrophobicContact CG2-CD1 3.58Å; I11-I75 HydrophobicContact CG2-CG1 4.2Å
12T98.8Very high87.9Confident0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-74.3139.9169.768.60000109.2L10 G14 F36 I56 V72 F73 H74 I75 A76 V102L10-T12 HydrophobicContact CD2-CG2 4.32Å; T12-G14 PolarHBondContact O-N 2.93Å; T12-F36 CarbonylContact C-O 3.14Å; T12-F36 WeakPolarHBondContact CA-O 3.36Å; T12-F36 HydrophobicContact CG2-CD1 4.09Å; T12-I56 HydrophobicContact CG2-CD1 3.83Å; T12-V72 HydrophobicContact CG2-CG1 4.46Å; T12-F73 PolarHBondContact N-O 2.89Å; T12-F73 PolarHBondContact OG1-O 2.96Å; T12-H74 VanDerWaalsContact OG1-CA 3.29Å; T12-H74 WeakPolarHBondContact OG1-CA 3.32Å; T12-H74 PolarHBondContact OG1-ND1 2.93Å; T12-I75 CarbonylContact O-C 3.57Å; T12-I75 WeakPolarHBondContact O-CA 3.1Å; T12-I75 VanDerWaalsContact O-CB 3.28Å; T12-I75 WeakPolarHBondContact O-CB 3.3Å; T12-I75 PolarHBondContact O-N 3.16Å; T12-I75 PolarHBondContact OG1-N 2.69Å; T12-A76 PolarHBondContact O-N 2.87Å; T12-A76 PolarHBondContact OG1-N 3.03Å; T12-V102 HydrophobicContact CG2-CG2 4.24Å
13G97.9Very high90.8Very high12 Ų1240.7 Ų40.712%0.12421%0.211CC..THydrogen-bonded Turntrans70.222.8-169.500000111.7S15 G16 F36 D37G13-S15 PolarHBondContact O-N 3Å; G13-G16 PolarHBondContact O-N 3.29Å; G13-G16 VanDerWaalsContact O-N 3.08Å; G13-F36 PolarHBondContact N-O 3.07Å; G13-D37 WeakPolarHBondContact CA-OD2 3.4Å
14G97.3Very high93.4Very high0 Ų032.3 Ų32.30%018%0.178CC..THydrogen-bonded Turntrans-67.3-15.7-173.500000114.1I11 T12 G19 F20 D37I11-G14 PolarHBondContact O-N 3.19Å; T12-G14 PolarHBondContact O-N 2.93Å; G14-G19 CarbonylContact O-C 3.55Å; G14-F20 WeakPolarHBondContact O-CA 3.25Å; G14-F20 WeakPolarHBondContact O-CB 3.41Å; G14-F20 PolarHBondContact O-N 3.19Å; G14-D37 PolarHBondContact N-OD2 3.1Å
15S96.6Very high95.2Very high18 Ų1829.3 Ų29.313%0.12615%0.151CC..THydrogen-bonded Turntrans-89.8-9.6174.2-58.20000113.3G13 D37 S39 P41G13-S15 PolarHBondContact O-N 3Å; S15-D37 WeakPolarHBondContact CB-OD2 3.2Å; S15-D37 PolarHBondContact N-OD2 3.25Å; S15-D37 WeakPolarHBondContact OG-CB 3.18Å; S15-S39 WeakPolarHBondContact CB-O 3.37Å; S15-S39 PolarHBondContact OG-O 2.98Å; S15-P41 VanDerWaalsContact OG-CD 3.3Å; S15-P41 WeakPolarHBondContact OG-CD 3.22Å
16G95.4Very high96.3Very high28 Ų2820.4 Ų20.429%0.28912%0.118SC..SBendtrans-71.7164.1174.500000112.9G13 F18 G19 F20G13-G16 PolarHBondContact O-N 3.29Å; G13-G16 VanDerWaalsContact O-N 3.08Å; G16-F18 PolarHBondContact O-N 3.11Å; G16-G19 PolarHBondContact O-N 3.12Å; G16-F20 WeakPolarHBondContact O-CB 3.27Å; G16-F20 PolarHBondContact O-N 3.07Å
17Y95.1Very high97Very high38 Ų3818.5 Ų18.515%0.14911%0.107CC..Hα-helixtrans-47.2-55.5-177.5173-122.6000113.9I184 G186 P187 G188 E189 V221Y17-I184 HydrophobicContact CE1-CG2 4.13Å; Y17-G186 WeakPolarHBondContact OH-CA 3.4Å; Y17-G186 PolarHBondContact OH-O 3.45Å; Y17-P187 WeakPolarHBondContact CE2-O 3.45Å; Y17-P187 PolarHBondContact OH-O 3.17Å; Y17-G188 VanDerWaalsContact CD2-O 3.23Å; Y17-G188 WeakPolarHBondContact CD2-O 3.39Å; Y17-G188 WeakPolarHBondContact CE2-O 3.2Å; Y17-E189 HydrophobicContact CD1-CB 4.28Å; Y17-E189 HydrophobicContact CD1-CG 4.18Å; Y17-E189 HydrophobicContact CE1-CB 3.77Å; Y17-E189 HydrophobicContact CE1-CG 3.92Å; Y17-V221 HydrophobicContact CE1-CB 3.97Å; Y17-V221 HydrophobicContact CE1-CG1 4.25Å; Y17-V221 HydrophobicContact CE1-CG2 3.87Å; Y17-V221 WeakPolarHBondContact OH-CG1 3.34Å
18F97.1Very high97.4Very high13 Ų1325 Ų256%0.05713%0.13CC..Hα-helixtrans-74.2-46.1-178.6170-125.5000112G16 F20 R21 L22 I75 T117 V221 L224 V225 H228G16-F18 PolarHBondContact O-N 3.11Å; F18-F20 VanDerWaalsContact C-N 3.34Å; F18-F20 PolarHBondContact O-N 3.47Å; F18-R21 PolarHBondContact O-N 3.1Å; F18-R21 VanDerWaalsContact O-N 3.1Å; F18-L22 HydrophobicContact CE2-CB 4.38Å; F18-L22 HydrophobicContact CZ-CD2 4.37Å; F18-L22 PolarHBondContact O-N 3.33Å; F18-I75 HydrophobicContact CD1-CD1 3.93Å; F18-I75 HydrophobicContact CD1-CG1 4.5Å; F18-I75 HydrophobicContact CD1-CG2 3.56Å; F18-I75 HydrophobicContact CE1-CD1 3.61Å; F18-I75 HydrophobicContact CE1-CG1 4.19Å; F18-I75 HydrophobicContact CE1-CG2 4.05Å; F18-I75 HydrophobicContact CZ-CD1 4.3Å; F18-T117 HydrophobicContact CD1-CG2 4.44Å; F18-T117 HydrophobicContact CE1-CG2 4.19Å; F18-V221 HydrophobicContact CD2-CG2 4.1Å; F18-L224 HydrophobicContact CD1-CD2 4.15Å; F18-L224 HydrophobicContact CD2-CD2 3.87Å; F18-L224 HydrophobicContact CD2-CG 4.12Å; F18-L224 HydrophobicContact CE1-CD2 4.14Å; F18-L224 HydrophobicContact CE1-CG 4.31Å; F18-L224 HydrophobicContact CE2-CB 4.11Å; F18-L224 HydrophobicContact CE2-CD2 3.87Å; F18-L224 HydrophobicContact CE2-CG 3.62Å; F18-L224 HydrophobicContact CG-CD2 4.06Å; F18-L224 HydrophobicContact CZ-CD2 4.04Å; F18-L224 HydrophobicContact CZ-CG 3.77Å; F18-V225 HydrophobicContact CD2-CG2 4.22Å; F18-V225 HydrophobicContact CE2-CG2 3.78Å; F18-H228 AromaticContact CE1-CE1 3.55Å; F18-H228 AromaticContact CE1-ND1 3.97Å; F18-H228 AromaticContact CE1-NE2 3.57Å; F18-H228 HydrophobicContact CZ-CB 4.38Å; F18-H228 AromaticContact CZ-CD2 3.84Å; F18-H228 AromaticContact CZ-CE1 3.39Å; F18-H228 WeakPolarHBondContact CZ-CE1 3.5Å; F18-H228 AromaticContact CZ-CG 3.61Å; F18-H228 AromaticContact CZ-ND1 3.33Å; F18-H228 VanDerWaalsContact CZ-ND1 3.33Å; F18-H228 WeakPolarHBondContact CZ-ND1 3.48Å; F18-H228 AromaticContact CZ-NE2 3.72Å
19G97.7Very high97.3Very high1 Ų130.1 Ų30.11%0.0115%0.151CC..Hα-helixtrans-59.8-41.6-177.500000113.4G14 G16 R21 L22 A23G14-G19 CarbonylContact O-C 3.55Å; G16-G19 PolarHBondContact O-N 3.12Å; G19-R21 VanDerWaalsContact C-N 3.32Å; G19-R21 PolarHBondContact O-N 3.38Å; G19-L22 PolarHBondContact O-N 3.47Å; G19-A23 WeakPolarHBondContact O-CB 3.24Å; G19-A23 PolarHBondContact O-N 2.79Å
20F97.4Very high97.1Very high22 Ų2231.7 Ų31.710%0.09617%0.172CC..Hα-helixtrans-66.6-36.3177-174.6-106.8000112.1G14 G16 F18 A23 C24 L35 P41 L43 V45G14-F20 WeakPolarHBondContact O-CA 3.25Å; G14-F20 WeakPolarHBondContact O-CB 3.41Å; G14-F20 PolarHBondContact O-N 3.19Å; G16-F20 WeakPolarHBondContact O-CB 3.27Å; G16-F20 PolarHBondContact O-N 3.07Å; F18-F20 VanDerWaalsContact C-N 3.34Å; F18-F20 PolarHBondContact O-N 3.47Å; F20-A23 WeakPolarHBondContact O-CB 3.18Å; F20-A23 PolarHBondContact O-N 2.91Å; F20-C24 PolarHBondContact O-N 3.09Å; F20-C24 PolarHBondContact O-SG 3.35Å; F20-C24 VanDerWaalsContact O-SG 3.4Å; F20-L35 HydrophobicContact CD2-CD1 4.04Å; F20-L35 HydrophobicContact CE2-CD1 4.38Å; F20-P41 HydrophobicContact CD2-CB 3.62Å; F20-P41 HydrophobicContact CD2-CG 3.55Å; F20-P41 HydrophobicContact CE2-CB 3.75Å; F20-P41 HydrophobicContact CE2-CG 3.74Å; F20-P41 HydrophobicContact CG-CB 4.22Å; F20-P41 HydrophobicContact CZ-CB 4.44Å; F20-L43 HydrophobicContact CD1-CB 4.45Å; F20-L43 HydrophobicContact CD1-CD1 4.01Å; F20-L43 HydrophobicContact CE1-CB 3.72Å; F20-L43 HydrophobicContact CE1-CD1 3.77Å; F20-L43 HydrophobicContact CE1-CG 4.35Å; F20-L43 HydrophobicContact CZ-CB 4.03Å; F20-V45 HydrophobicContact CE2-CG2 4.27Å
21R97.3Very high96.9Very high55 Ų5532.3 Ų32.321%0.20818%0.177CC..Hα-helixtrans-69.6-40.5179.4-148.3147.6175.9-69.3-1.3111.6F18 G19 C24 S25 V221 D222 V225F18-R21 PolarHBondContact O-N 3.1Å; F18-R21 VanDerWaalsContact O-N 3.1Å; G19-R21 VanDerWaalsContact C-N 3.32Å; G19-R21 PolarHBondContact O-N 3.38Å; R21-C24 PolarHBondContact O-N 3.36Å; R21-S25 PolarHBondContact O-N 3.36Å; R21-S25 VanDerWaalsContact O-N 3.15Å; R21-V221 HydrophobicContact CB-CG2 4.32Å; R21-V221 HydrophobicContact CG-CG2 4.35Å; R21-D222 IonicContact CZ-OD1 2.91Å; R21-D222 IonicContact CZ-OD2 3.9Å; R21-D222 VanDerWaalsContact NH1-N 3.13Å; R21-D222 IonicContact NH1-OD1 3.43Å; R21-D222 PolarHBondContact NH1-OD1 3.5Å; R21-D222 IonicContact NH1-OD2 3.28Å; R21-D222 PolarHBondContact NH1-OD2 3.03Å; R21-D222 IonicContact NH2-OD1 3.04Å; R21-D222 PolarHBondContact NH2-OD1 2.93Å; R21-D222 VanDerWaalsContact NH2-OD1 3.16Å; R21-D222 IonicContact NH2-OD2 2.74Å; R21-D222 PolarHBondContact NH2-OD2 3.47Å; R21-V225 HydrophobicContact CB-CG2 4.33Å
22L98.5Very high96.8Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-61.1-44170.3178.961.4000111.4I11 F18 G19 C24 S25 L26 F73 I75 V225 H228 E229I11-L22 HydrophobicContact CD1-CB 4.42Å; I11-L22 HydrophobicContact CD1-CD2 4.27Å; I11-L22 HydrophobicContact CD1-CG 4.13Å; F18-L22 HydrophobicContact CE2-CB 4.38Å; F18-L22 HydrophobicContact CZ-CD2 4.37Å; F18-L22 PolarHBondContact O-N 3.33Å; G19-L22 PolarHBondContact O-N 3.47Å; L22-C24 PolarHBondContact O-N 2.54Å; L22-S25 PolarHBondContact O-N 2.79Å; L22-S25 VanDerWaalsContact O-N 3.17Å; L22-L26 HydrophobicContact CD1-CD1 4.02Å; L22-L26 HydrophobicContact CD1-CG 4.06Å; L22-L26 HydrophobicContact CG-CD1 3.89Å; L22-L26 HydrophobicContact CG-CG 4.36Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.32Å; L22-F73 HydrophobicContact CD2-CB 4.12Å; L22-F73 HydrophobicContact CD2-CD1 3.7Å; L22-F73 HydrophobicContact CD2-CD2 4.2Å; L22-F73 HydrophobicContact CD2-CE1 4.11Å; L22-F73 HydrophobicContact CD2-CG 3.74Å; L22-I75 HydrophobicContact CD2-CD1 3.82Å; L22-V225 HydrophobicContact CB-CG2 4.16Å; L22-V225 HydrophobicContact CD1-CB 4.49Å; L22-V225 HydrophobicContact CD1-CG1 3.91Å; L22-H228 HydrophobicContact CD1-CB 4.19Å; L22-H228 HydrophobicContact CD2-CB 4.17Å; L22-E229 HydrophobicContact CD1-CG 3.93Å
23A98.2Very high96.8Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-56.7-48.4177.900000112.7I11 G19 F20 S25 L26 H27 V33 L35 I49I11-A23 HydrophobicContact CD1-CB 3.74Å; G19-A23 WeakPolarHBondContact O-CB 3.24Å; G19-A23 PolarHBondContact O-N 2.79Å; F20-A23 WeakPolarHBondContact O-CB 3.18Å; F20-A23 PolarHBondContact O-N 2.91Å; A23-S25 VanDerWaalsContact C-N 3.3Å; A23-S25 PolarHBondContact O-N 3.37Å; A23-L26 PolarHBondContact O-N 3.17Å; A23-H27 VanDerWaalsContact O-CB 3.23Å; A23-H27 WeakPolarHBondContact O-CB 3.35Å; A23-H27 PolarHBondContact O-N 3.23Å; A23-V33 HydrophobicContact CB-CG1 3.79Å; A23-L35 HydrophobicContact CB-CD2 3.41Å; A23-L35 VanDerWaalsContact CB-CD2 3.41Å; A23-I49 HydrophobicContact CB-CD1 4.22Å
24C97.3Very high96.8Very high25 Ų2538.4 Ų38.417%0.16920%0.201CC..Hα-helixtrans-61.9-37.8177.9-740000112.2F20 R21 L22 K28F20-C24 PolarHBondContact O-N 3.09Å; F20-C24 PolarHBondContact O-SG 3.35Å; F20-C24 VanDerWaalsContact O-SG 3.4Å; R21-C24 PolarHBondContact O-N 3.36Å; L22-C24 PolarHBondContact O-N 2.54Å; C24-K28 WeakPolarHBondContact O-CB 3.39Å; C24-K28 VanDerWaalsContact O-CG 3.23Å; C24-K28 WeakPolarHBondContact O-CG 3.28Å; C24-K28 PolarHBondContact O-N 3.11Å
25S97.6Very high96.9Very high32 Ų3238.4 Ų38.422%0.22420%0.201CC..Hα-helixtrans-66.8-51.2176.5-171.10000111.9R21 L22 A23 H27 K28 K29 V225 E229R21-S25 PolarHBondContact O-N 3.36Å; R21-S25 VanDerWaalsContact O-N 3.15Å; L22-S25 PolarHBondContact O-N 2.79Å; L22-S25 VanDerWaalsContact O-N 3.17Å; A23-S25 VanDerWaalsContact C-N 3.3Å; A23-S25 PolarHBondContact O-N 3.37Å; S25-H27 VanDerWaalsContact C-N 3.3Å; S25-H27 PolarHBondContact O-N 3.14Å; S25-K28 WeakPolarHBondContact O-CB 3.48Å; S25-K28 PolarHBondContact O-N 2.75Å; S25-K29 PolarHBondContact O-N 3.05Å; S25-K29 VanDerWaalsContact O-N 3.15Å; S25-V225 VanDerWaalsContact CB-CG1 3.49Å; S25-E229 WeakPolarHBondContact CB-OE1 3.27Å; S25-E229 PolarHBondContact OG-OE1 2.93Å
26L97.4Very high97Very high10 Ų1037.7 Ų37.75%0.05220%0.196CC..Hα-helixtrans-59.5-41.4177.9-70172.1000112F9 I11 L22 A23 K29 G30 A31 V33 F73 E229F9-L26 HydrophobicContact CB-CD1 4.28Å; F9-L26 HydrophobicContact CD2-CB 4.39Å; F9-L26 HydrophobicContact CD2-CD1 4.02Å; F9-L26 HydrophobicContact CD2-CD2 4.21Å; F9-L26 HydrophobicContact CD2-CG 4.46Å; F9-L26 HydrophobicContact CE2-CD2 4.01Å; F9-L26 HydrophobicContact CG-CD1 4.15Å; I11-L26 HydrophobicContact CD1-CD1 4.15Å; L22-L26 HydrophobicContact CD1-CD1 4.02Å; L22-L26 HydrophobicContact CD1-CG 4.06Å; L22-L26 HydrophobicContact CG-CD1 3.89Å; L22-L26 HydrophobicContact CG-CG 4.36Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.32Å; A23-L26 PolarHBondContact O-N 3.17Å; L26-K29 PolarHBondContact O-N 3.19Å; L26-G30 PolarHBondContact O-N 2.87Å; L26-A31 HydrophobicContact CB-CB 4.41Å; L26-A31 VanDerWaalsContact O-CB 3.31Å; L26-A31 WeakPolarHBondContact O-CB 3.44Å; L26-A31 PolarHBondContact O-N 3.18Å; L26-A31 VanDerWaalsContact O-N 3.16Å; L26-V33 HydrophobicContact CB-CG2 3.88Å; L26-F73 HydrophobicContact CD1-CD2 4.09Å; L26-F73 HydrophobicContact CD1-CE2 3.54Å; L26-F73 HydrophobicContact CD1-CZ 4.15Å; L26-E229 HydrophobicContact CD2-CG 3.91Å
27H96.6Very high97.1Very high51 Ų5138 Ų3824%0.23619%0.191CC..Hα-helixtrans-64.3-42.7176.9177.867.7000112.2A23 S25 K29 G30 V33 E47 I49A23-H27 VanDerWaalsContact O-CB 3.23Å; A23-H27 WeakPolarHBondContact O-CB 3.35Å; A23-H27 PolarHBondContact O-N 3.23Å; S25-H27 VanDerWaalsContact C-N 3.3Å; S25-H27 PolarHBondContact O-N 3.14Å; H27-K29 PolarHBondContact O-N 2.98Å; H27-G30 WeakPolarHBondContact O-CA 3.37Å; H27-G30 PolarHBondContact O-N 2.93Å; H27-V33 HydrophobicContact CB-CG2 4.11Å; H27-E47 PolarHBondContact CE1-O 3.44Å; H27-E47 VanDerWaalsContact CE1-O 3.26Å; H27-E47 PolarHBondContact NE2-O 2.81Å; H27-I49 HydrophobicContact CB-CD1 3.7Å; H27-I49 HydrophobicContact CB-CG1 3.78Å
28K96.1Very high97.2Very high179 Ų17940.8 Ų40.878%0.77821%0.207SC*.Hα-helixtrans-59.9-28.1173.8-77.5172.7-179-178.70112.9C24 S25 G30C24-K28 WeakPolarHBondContact O-CB 3.39Å; C24-K28 VanDerWaalsContact O-CG 3.23Å; C24-K28 WeakPolarHBondContact O-CG 3.28Å; C24-K28 PolarHBondContact O-N 3.11Å; S25-K28 WeakPolarHBondContact O-CB 3.48Å; S25-K28 PolarHBondContact O-N 2.75Å; K28-G30 PolarHBondContact O-N 3.4Å
29K94.7Very high97.1Very high129 Ų12943.7 Ų43.756%0.56123%0.229SC*.THydrogen-bonded Turntrans-81.76.1173.3-64.3-175.6-177.3-172.90113.7S25 L26 H27 E229S25-K29 PolarHBondContact O-N 3.05Å; S25-K29 VanDerWaalsContact O-N 3.15Å; L26-K29 PolarHBondContact O-N 3.19Å; H27-K29 PolarHBondContact O-N 2.98Å; K29-E229 VanDerWaalsContact CE-OE2 3.31Å; K29-E229 WeakPolarHBondContact CE-OE2 3.26Å; K29-E229 VanDerWaalsContact NZ-CD 3.29Å; K29-E229 IonicContact NZ-OE1 3.83Å; K29-E229 IonicContact NZ-OE2 2.94Å; K29-E229 PolarHBondContact NZ-OE2 2.87Å
30G94.3Very high97Very high52 Ų5247.7 Ų47.754%0.53625%0.254SS..THydrogen-bonded Turntrans87.110175.400000115I6 L26 H27 K28I6-G30 WeakPolarHBondContact CG2-O 3.48Å; L26-G30 PolarHBondContact O-N 2.87Å; H27-G30 WeakPolarHBondContact O-CA 3.37Å; H27-G30 PolarHBondContact O-N 2.93Å; K28-G30 PolarHBondContact O-N 3.4Å
31A95.4Very high96.7Very high13 Ų1347.3 Ų47.311%0.10725%0.254CS..  trans-77.9153.3176.800000112.4F9 L26 V33F9-A31 HydrophobicContact CD2-CB 3.53Å; F9-A31 HydrophobicContact CE2-CB 3.5Å; F9-A31 VanDerWaalsContact CE2-CB 3.5Å; L26-A31 HydrophobicContact CB-CB 4.41Å; L26-A31 VanDerWaalsContact O-CB 3.31Å; L26-A31 WeakPolarHBondContact O-CB 3.44Å; L26-A31 PolarHBondContact O-N 3.18Å; L26-A31 VanDerWaalsContact O-N 3.16Å; A31-V33 HydrophobicContact CB-CG2 4.43Å
32K96.9Very high96.3Very high118 Ų11849.3 Ų49.351%0.51328%0.277SS..EExtended strand (participates in β ladder)trans-81.8128166.2-70.8178.4-178.1-178.30108.5I6 C7 T8 F9I6-K32 HydrophobicContact CG2-CD 4.37Å; I6-K32 HydrophobicContact CG2-CG 3.89Å; C7-K32 PolarHBondContact O-N 3.47Å; T8-K32 CarbonylContact C-O 3.49Å; T8-K32 WeakPolarHBondContact CA-O 3.35Å; T8-K32 HydrophobicContact CG2-CB 4.04Å; F9-K32 PolarHBondContact N-O 3.26Å
33V98.2Very high95.8Very high1 Ų153.6 Ų53.61%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-125.8129.4-174.8-1750000110.7I11 A23 L26 H27 A31 L35 I49 V50I11-V33 HydrophobicContact CD1-CG1 3.89Å; I11-V33 HydrophobicContact CG1-CG1 4.25Å; A23-V33 HydrophobicContact CB-CG1 3.79Å; L26-V33 HydrophobicContact CB-CG2 3.88Å; H27-V33 HydrophobicContact CB-CG2 4.11Å; A31-V33 HydrophobicContact CB-CG2 4.43Å; V33-L35 HydrophobicContact CG1-CD2 4.22Å; V33-I49 HydrophobicContact CB-CG1 4.36Å; V33-I49 HydrophobicContact CB-CG2 4.43Å; V33-I49 HydrophobicContact CG1-CG2 4.41Å; V33-V50 PolarHBondContact O-N 2.53Å
34I98.4Very high95.4Very high21 Ų2162.5 Ų62.511%0.10834%0.34CS..EExtended strand (participates in β ladder)trans-114.4122.3174.7-58.875.3000108.1T8 F9 L10 I11 V50 L52 M69T8-I34 HydrophobicContact CG2-CD1 3.3Å; F9-I34 PolarHBondContact O-N 3.5Å; L10-I34 HydrophobicContact CD1-CB 3.93Å; L10-I34 HydrophobicContact CD1-CG2 3.72Å; I11-I34 PolarHBondContact N-O 3.04Å; I34-V50 CarbonylContact C-O 3.56Å; I34-V50 WeakPolarHBondContact CA-O 3.44Å; I34-V50 HydrophobicContact CG1-CB 4.4Å; I34-L52 HydrophobicContact CG2-CB 3.93Å; I34-M69 HydrophobicContact CD1-CE 3.98Å; I34-M69 HydrophobicContact CD1-SD 3.65Å; I34-M69 HydrophobicContact CG1-CE 4.37Å; I34-M69 HydrophobicContact CG1-SD 4.17Å
35L98.7Very high95.1Very high0 Ų063.5 Ų63.50%035%0.346CS..EExtended strand (participates in β ladder)trans-89.6125.6170.6-51.5-177.6000108.9I11 F20 A23 V33 P41 I49 V50 F51 L52I11-L35 HydrophobicContact CB-CD2 4.46Å; F20-L35 HydrophobicContact CD2-CD1 4.04Å; F20-L35 HydrophobicContact CE2-CD1 4.38Å; A23-L35 HydrophobicContact CB-CD2 3.41Å; A23-L35 VanDerWaalsContact CB-CD2 3.41Å; V33-L35 HydrophobicContact CG1-CD2 4.22Å; L35-P41 HydrophobicContact CD1-CG 3.59Å; L35-I49 HydrophobicContact CD1-CG2 3.84Å; L35-I49 HydrophobicContact CD2-CG2 4.12Å; L35-I49 HydrophobicContact CG-CG2 3.66Å; L35-V50 PolarHBondContact N-O 3.24Å; L35-F51 HydrophobicContact CB-CD2 4.19Å; L35-L52 PolarHBondContact O-N 2.79Å
36F98.7Very high94.8Very high4 Ų464.2 Ų64.22%0.01835%0.349CS..EExtended strand (participates in β ladder)trans-113.7113.1172.3179.8-100.1000110.5L10 I11 T12 G13 L52 I56 Q61 V62 A65L10-F36 HydrophobicContact CD1-CB 3.81Å; I11-F36 PolarHBondContact O-N 3.14Å; T12-F36 CarbonylContact C-O 3.14Å; T12-F36 WeakPolarHBondContact CA-O 3.36Å; T12-F36 HydrophobicContact CG2-CD1 4.09Å; G13-F36 PolarHBondContact N-O 3.07Å; F36-L52 WeakPolarHBondContact CA-O 3.31Å; F36-L52 HydrophobicContact CD2-CD2 4.12Å; F36-L52 HydrophobicContact CD2-CG 4.15Å; F36-I56 HydrophobicContact CD1-CD1 4.27Å; F36-I56 HydrophobicContact CE1-CB 4.42Å; F36-I56 HydrophobicContact CE1-CD1 3.93Å; F36-Q61 HydrophobicContact CE2-CB 4.34Å; F36-Q61 HydrophobicContact CZ-CB 4.19Å; F36-V62 HydrophobicContact CE1-CG2 4.18Å; F36-V62 HydrophobicContact CZ-CG2 4.19Å; F36-A65 HydrophobicContact CB-CB 4.47Å; F36-A65 HydrophobicContact CD2-CB 3.49Å; F36-A65 VanDerWaalsContact CD2-CB 3.49Å; F36-A65 HydrophobicContact CE2-CB 3.79Å; F36-A65 HydrophobicContact CG-CB 4.03Å
37D98.5Very high94.5Very high34 Ų3472.9 Ų72.918%0.18239%0.39CS..EExtended strand (participates in β ladder)trans-160.1164.1-176.7-143.6-48.1000111.5G13 G14 S15 S39 F51 L52 K53 G54G13-D37 WeakPolarHBondContact CA-OD2 3.4Å; G14-D37 PolarHBondContact N-OD2 3.1Å; S15-D37 WeakPolarHBondContact CB-OD2 3.2Å; S15-D37 PolarHBondContact N-OD2 3.25Å; S15-D37 WeakPolarHBondContact OG-CB 3.18Å; D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.07Å; D37-F51 HydrophobicContact CB-CE2 4.08Å; D37-L52 PolarHBondContact N-O 2.94Å; D37-K53 WeakPolarHBondContact O-CA 3.49Å; D37-G54 CarbonylContact C-O 3.58Å; D37-G54 PolarHBondContact O-N 3.41Å
38M96.9Very high94.1Very high97 Ų9772.8 Ų72.848%0.47840%0.403SS..SBendtrans-74.2-24-179.5-68-173.3-69.800112.5K53 G54 D55M38-K53 WeakPolarHBondContact O-CE 3.27Å; M38-G54 WeakPolarHBondContact CA-O 3.47Å; M38-G54 WeakPolarHBondContact CG-O 3.39Å; M38-G54 PolarHBondContact N-O 2.85Å; M38-D55 HydrophobicContact CG-CB 4.31Å
39S95.2Very high94.2Very high74 Ų7464.9 Ų64.952%0.51737%0.369SS..SBendtrans-137.7147.4-178.4-65.20000110.2S15 D37 F51S15-S39 WeakPolarHBondContact CB-O 3.37Å; S15-S39 PolarHBondContact OG-O 2.98Å; D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.07Å; S39-F51 WeakPolarHBondContact O-CE2 3.23Å
40P94.2Very high94.3Very high84 Ų8462.8 Ų62.855%0.54537%0.366SS..  trans-65159.2175.828.9-35.2000111F51P40-F51 HydrophobicContact CB-CD1 4.08Å; P40-F51 HydrophobicContact CB-CE1 3.96Å; P40-F51 HydrophobicContact CB-CE2 4.48Å; P40-F51 HydrophobicContact CB-CG 4.38Å; P40-F51 HydrophobicContact CB-CZ 4.19Å; P40-F51 VanDerWaalsContact N-CZ 3.33Å
41P92.3Very high94.5Very high14 Ų1463.3 Ų63.39%0.09135%0.354CS..  trans-58.2148174.1-19.431.3000111.1S15 F20 L35 L43 V45S15-P41 VanDerWaalsContact OG-CD 3.3Å; S15-P41 WeakPolarHBondContact OG-CD 3.22Å; F20-P41 HydrophobicContact CD2-CB 3.62Å; F20-P41 HydrophobicContact CD2-CG 3.55Å; F20-P41 HydrophobicContact CE2-CB 3.75Å; F20-P41 HydrophobicContact CE2-CG 3.74Å; F20-P41 HydrophobicContact CG-CB 4.22Å; F20-P41 HydrophobicContact CZ-CB 4.44Å; L35-P41 HydrophobicContact CD1-CG 3.59Å; P41-L43 PolarHBondContact O-N 3.33Å; P41-V45 HydrophobicContact CB-CG2 4.34Å; P41-V45 HydrophobicContact CG-CG2 3.77Å
42S87.8Confident94.6Very high98 Ų9865 Ų6569%0.68536%0.361SS*.SBendtrans-72.6-17.4175.161.30000113.3
43L87.6Confident94.7Very high90 Ų9066.7 Ų66.747%0.47137%0.369SS..SBendtrans-95.1153.5176-61.8176.4000109.3F20 P41 V45F20-L43 HydrophobicContact CD1-CB 4.45Å; F20-L43 HydrophobicContact CD1-CD1 4.01Å; F20-L43 HydrophobicContact CE1-CB 3.72Å; F20-L43 HydrophobicContact CE1-CD1 3.77Å; F20-L43 HydrophobicContact CE1-CG 4.35Å; F20-L43 HydrophobicContact CZ-CB 4.03Å; P41-L43 PolarHBondContact O-N 3.33Å; L43-V45 PolarHBondContact O-N 2.69Å
44E90.5Very high94.7Very high186 Ų18666.9 Ų66.987%0.86937%0.371SS*.PPolyproline II helixtrans-59.7129.9175.1-171.9173.3-17400110.5P46E44-P46 WeakPolarHBondContact O-CD 3.05Å
45V90.4Very high94.7Very high46 Ų4666.9 Ų66.928%0.27937%0.371SS..PPolyproline II helixtrans-82.9121.9-178.7-178.30000108.4F20 P41 L43 I49F20-V45 HydrophobicContact CE2-CG2 4.27Å; P41-V45 HydrophobicContact CB-CG2 4.34Å; P41-V45 HydrophobicContact CG-CG2 3.77Å; L43-V45 PolarHBondContact O-N 2.69Å; V45-I49 HydrophobicContact CG1-CB 3.64Å; V45-I49 HydrophobicContact CG1-CG2 3.77Å
46P91.7Very high94.7Very high47 Ų4767.4 Ų67.431%0.30537%0.374SS..PPolyproline II helixtrans-53.2142.8175-26.233.2000112.5E44 G48 I49E44-P46 WeakPolarHBondContact O-CD 3.05Å; P46-G48 PolarHBondContact O-N 3.49Å; P46-I49 HydrophobicContact CB-CD1 4.32Å; P46-I49 HydrophobicContact CB-CG1 4.47Å; P46-I49 HydrophobicContact CG-CD1 4.1Å; P46-I49 PolarHBondContact O-N 3.27Å; P46-I49 VanDerWaalsContact O-N 3.11Å
47E91Very high94.6Very high192 Ų19270.7 Ų70.790%0.89739%0.386SS*.THydrogen-bonded Turntrans-56.8125.3174.9-169.6178.1-176.500110.3H27H27-E47 PolarHBondContact CE1-O 3.44Å; H27-E47 VanDerWaalsContact CE1-O 3.26Å; H27-E47 PolarHBondContact NE2-O 2.81Å
48G89.4Confident94.6Very high49 Ų4973.9 Ų73.951%0.50540%0.4SS..THydrogen-bonded Turntrans100.5-10-177.400000115.4P46P46-G48 PolarHBondContact O-N 3.49Å
49I96.9Very high94.7Very high13 Ų1371 Ų717%0.06738%0.384CS..EExtended strand (participates in β ladder)trans-87.5127.7162.8-59.8-174.1000108.7A23 H27 V33 L35 V45 P46A23-I49 HydrophobicContact CB-CD1 4.22Å; H27-I49 HydrophobicContact CB-CD1 3.7Å; H27-I49 HydrophobicContact CB-CG1 3.78Å; V33-I49 HydrophobicContact CB-CG1 4.36Å; V33-I49 HydrophobicContact CB-CG2 4.43Å; V33-I49 HydrophobicContact CG1-CG2 4.41Å; L35-I49 HydrophobicContact CD1-CG2 3.84Å; L35-I49 HydrophobicContact CD2-CG2 4.12Å; L35-I49 HydrophobicContact CG-CG2 3.66Å; V45-I49 HydrophobicContact CG1-CB 3.64Å; V45-I49 HydrophobicContact CG1-CG2 3.77Å; P46-I49 HydrophobicContact CB-CD1 4.32Å; P46-I49 HydrophobicContact CB-CG1 4.47Å; P46-I49 HydrophobicContact CG-CD1 4.1Å; P46-I49 PolarHBondContact O-N 3.27Å; P46-I49 VanDerWaalsContact O-N 3.11Å
50V97.2Very high94.9Very high85 Ų8570.8 Ų70.852%0.51539%0.386SS..EExtended strand (participates in β ladder)trans-98.1127.6-178.4179.10000110V33 I34 L35V33-V50 PolarHBondContact O-N 2.53Å; I34-V50 CarbonylContact C-O 3.56Å; I34-V50 WeakPolarHBondContact CA-O 3.44Å; I34-V50 HydrophobicContact CG1-CB 4.4Å; L35-V50 PolarHBondContact N-O 3.24Å
51F97.9Very high95.1Very high64 Ų6470.5 Ų70.528%0.28138%0.378SS..EExtended strand (participates in β ladder)trans-93.2122169.1174.4-110.8000110.7L35 D37 S39 P40 K53L35-F51 HydrophobicContact CB-CD2 4.19Å; D37-F51 HydrophobicContact CB-CE2 4.08Å; S39-F51 WeakPolarHBondContact O-CE2 3.23Å; P40-F51 HydrophobicContact CB-CD1 4.08Å; P40-F51 HydrophobicContact CB-CE1 3.96Å; P40-F51 HydrophobicContact CB-CE2 4.48Å; P40-F51 HydrophobicContact CB-CG 4.38Å; P40-F51 HydrophobicContact CB-CZ 4.19Å; P40-F51 VanDerWaalsContact N-CZ 3.33Å; F51-K53 HydrophobicContact CE1-CB 3.81Å; F51-K53 HydrophobicContact CE1-CG 4.5Å; F51-K53 HydrophobicContact CZ-CB 3.92Å; F51-K53 HydrophobicContact CZ-CG 4.35Å
52L97.9Very high95.4Very high48 Ų4869.9 Ų69.925%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-111.8108.2173.2-17962.8000109.1I34 L35 F36 D37 G54 A65I34-L52 HydrophobicContact CG2-CB 3.93Å; L35-L52 PolarHBondContact O-N 2.79Å; F36-L52 WeakPolarHBondContact CA-O 3.31Å; F36-L52 HydrophobicContact CD2-CD2 4.12Å; F36-L52 HydrophobicContact CD2-CG 4.15Å; D37-L52 PolarHBondContact N-O 2.94Å; L52-G54 PolarHBondContact O-N 3.47Å; L52-A65 HydrophobicContact CD2-CB 3.5Å; L52-A65 VanDerWaalsContact CD2-CB 3.5Å
53K98.1Very high95.9Very high154 Ų15468.8 Ų68.867%0.6736%0.358SS*.EExtended strand (participates in β ladder)trans-67.9127.7176-173.2178179.7179.30110.5D37 M38 F51D37-K53 WeakPolarHBondContact O-CA 3.49Å; M38-K53 WeakPolarHBondContact O-CE 3.27Å; F51-K53 HydrophobicContact CE1-CB 3.81Å; F51-K53 HydrophobicContact CE1-CG 4.5Å; F51-K53 HydrophobicContact CZ-CB 3.92Å; F51-K53 HydrophobicContact CZ-CG 4.35Å
54G98.2Very high96.4Very high5 Ų572 Ų725%0.05237%0.368CS..  trans-173.717216700000114.3D37 M38 L52D37-G54 CarbonylContact C-O 3.58Å; D37-G54 PolarHBondContact O-N 3.41Å; M38-G54 WeakPolarHBondContact CA-O 3.47Å; M38-G54 WeakPolarHBondContact CG-O 3.39Å; M38-G54 PolarHBondContact N-O 2.85Å; L52-G54 PolarHBondContact O-N 3.47Å
55D98.5Very high96.8Very high21 Ų2163.3 Ų63.311%0.11233%0.328CS..  trans-110.7128.4179.2-166.6-29.7000110M38 R57 E58M38-D55 HydrophobicContact CG-CB 4.31Å; D55-R57 PolarHBondContact O-N 2.88Å; D55-R57 VanDerWaalsContact OD1-CB 3.32Å; D55-R57 WeakPolarHBondContact OD1-CB 3.38Å; D55-R57 VanDerWaalsContact OD1-CG 3.3Å; D55-R57 WeakPolarHBondContact OD1-CG 3.14Å; D55-R57 PolarHBondContact OD1-N 3.12Å; D55-R57 IonicContact OD1-NE 3.26Å; D55-R57 PolarHBondContact OD1-NE 3.28Å; D55-R57 VanDerWaalsContact OD1-NE 3.1Å; D55-R57 IonicContact OD2-CZ 3.19Å; D55-R57 VanDerWaalsContact OD2-CZ 3.26Å; D55-R57 IonicContact OD2-NE 2.63Å; D55-R57 PolarHBondContact OD2-NE 3.43Å; D55-R57 IonicContact OD2-NH2 3.77Å; D55-R57 PolarHBondContact OD2-NH2 3.14Å; D55-E58 HydrophobicContact CB-CB 4.48Å; D55-E58 HydrophobicContact CB-CG 4.05Å; D55-E58 PolarHBondContact O-N 3.09Å
56I98.6Very high97.2Very high11 Ų1161.1 Ų61.16%0.05632%0.315CS..THydrogen-bonded Turntrans-63.3-21.4179.7-158.173000112.4T12 F36 E58 V62 A76 V94 H101 V102T12-I56 HydrophobicContact CG2-CD1 3.83Å; F36-I56 HydrophobicContact CD1-CD1 4.27Å; F36-I56 HydrophobicContact CE1-CB 4.42Å; F36-I56 HydrophobicContact CE1-CD1 3.93Å; I56-E58 PolarHBondContact O-N 3.46Å; I56-V62 HydrophobicContact CD1-CG2 3.97Å; I56-V62 HydrophobicContact CG1-CG2 4.45Å; I56-V62 WeakPolarHBondContact O-CG2 3.42Å; I56-A76 HydrophobicContact CG1-CB 4.45Å; I56-V94 HydrophobicContact CG2-CB 4.48Å; I56-V94 HydrophobicContact CG2-CG1 4.05Å; I56-H101 PolarHBondContact O-ND1 3.36Å; I56-V102 HydrophobicContact CD1-CG2 3.47Å; I56-V102 VanDerWaalsContact CD1-CG2 3.47Å; I56-V102 HydrophobicContact CG1-CG2 4.3Å
57R98.4Very high97.5Very high73 Ų7362.7 Ų62.728%0.27532%0.323SS..THydrogen-bonded Turntrans-76.6-10.8176.6-57.2177.1-64.4155.14.7112.9D55 L90 E93 V94 H101D55-R57 PolarHBondContact O-N 2.88Å; D55-R57 VanDerWaalsContact OD1-CB 3.32Å; D55-R57 WeakPolarHBondContact OD1-CB 3.38Å; D55-R57 VanDerWaalsContact OD1-CG 3.3Å; D55-R57 WeakPolarHBondContact OD1-CG 3.14Å; D55-R57 PolarHBondContact OD1-N 3.12Å; D55-R57 IonicContact OD1-NE 3.26Å; D55-R57 PolarHBondContact OD1-NE 3.28Å; D55-R57 VanDerWaalsContact OD1-NE 3.1Å; D55-R57 IonicContact OD2-CZ 3.19Å; D55-R57 VanDerWaalsContact OD2-CZ 3.26Å; D55-R57 IonicContact OD2-NE 2.63Å; D55-R57 PolarHBondContact OD2-NE 3.43Å; D55-R57 IonicContact OD2-NH2 3.77Å; D55-R57 PolarHBondContact OD2-NH2 3.14Å; R57-L90 VanDerWaalsContact NH1-CD1 3.34Å; R57-E93 HydrophobicContact CG-CB 4.03Å; R57-E93 IonicContact NH1-OE2 3.04Å; R57-E93 PolarHBondContact NH1-OE2 2.95Å; R57-V94 HydrophobicContact CG-CG2 4.12Å; R57-H101 PolarHBondContact O-CE1 2.58Å
58E98.6Very high97.7Very high100 Ų10056.2 Ų56.247%0.46731%0.308SS..  trans-107.799.1-177.9-63.9-61.2148.100110.3D55 I56 A60 Q61 V62D55-E58 HydrophobicContact CB-CB 4.48Å; D55-E58 HydrophobicContact CB-CG 4.05Å; D55-E58 PolarHBondContact O-N 3.09Å; I56-E58 PolarHBondContact O-N 3.46Å; E58-A60 VanDerWaalsContact C-N 3.31Å; E58-A60 PolarHBondContact O-N 3.3Å; E58-Q61 HydrophobicContact CB-CB 4.2Å; E58-Q61 HydrophobicContact CB-CG 3.87Å; E58-Q61 WeakPolarHBondContact O-CB 3.21Å; E58-Q61 PolarHBondContact O-N 3.16Å; E58-V62 PolarHBondContact O-N 3.5Å
59Y98.8Very high98.1Very high37 Ų3755.2 Ų55.215%0.14529%0.29CS..Hα-helixtrans-50.3-46.5-173.5178.4-107.5000113.6Q61 V62 E63 H101 R104 A105 E108Y59-Q61 PolarHBondContact O-N 3.24Å; Y59-V62 WeakPolarHBondContact O-CB 3.3Å; Y59-V62 PolarHBondContact O-N 2.92Å; Y59-E63 HydrophobicContact CE1-CB 4.27Å; Y59-E63 WeakPolarHBondContact O-CB 3.37Å; Y59-E63 PolarHBondContact O-N 3.42Å; Y59-H101 HydrophobicContact CD2-CB 4.02Å; Y59-H101 AromaticContact CD2-CD2 3.91Å; Y59-R104 HydrophobicContact CE2-CB 3.97Å; Y59-R104 HydrophobicContact CE2-CG 3.73Å; Y59-A105 HydrophobicContact CE2-CB 4.2Å; Y59-E108 PolarHBondContact OH-OE1 2.65Å; Y59-E108 PolarHBondContact OH-OE2 2.9Å
60A98.6Very high98Very high69 Ų6955.9 Ų55.957%0.5729%0.294SS*.Hα-helixtrans-60.6-30.1-179.300000113.1E58 K64E58-A60 VanDerWaalsContact C-N 3.31Å; E58-A60 PolarHBondContact O-N 3.3Å; A60-K64 WeakPolarHBondContact O-CB 3.29Å; A60-K64 PolarHBondContact O-N 3.09Å
61Q98.6Very high98.1Very high79 Ų7951.8 Ų51.837%0.36927%0.269SS..Hα-helixtrans-76.6-38.8176-58.6-17730.600111F36 E58 Y59 A65F36-Q61 HydrophobicContact CE2-CB 4.34Å; F36-Q61 HydrophobicContact CZ-CB 4.19Å; E58-Q61 HydrophobicContact CB-CB 4.2Å; E58-Q61 HydrophobicContact CB-CG 3.87Å; E58-Q61 WeakPolarHBondContact O-CB 3.21Å; E58-Q61 PolarHBondContact O-N 3.16Å; Y59-Q61 PolarHBondContact O-N 3.24Å; Q61-A65 WeakPolarHBondContact O-CB 3.5Å; Q61-A65 PolarHBondContact O-N 3.23Å
62V98.9Very high98.1Very high1 Ų148.8 Ų48.81%0.00626%0.256CS..Hα-helixtrans-65-47.8175.2-178.90000111F36 I56 E58 Y59 K64 A65 V66 H101 V102 A105F36-V62 HydrophobicContact CE1-CG2 4.18Å; F36-V62 HydrophobicContact CZ-CG2 4.19Å; I56-V62 HydrophobicContact CD1-CG2 3.97Å; I56-V62 HydrophobicContact CG1-CG2 4.45Å; I56-V62 WeakPolarHBondContact O-CG2 3.42Å; E58-V62 PolarHBondContact O-N 3.5Å; Y59-V62 WeakPolarHBondContact O-CB 3.3Å; Y59-V62 PolarHBondContact O-N 2.92Å; V62-K64 VanDerWaalsContact C-N 3.34Å; V62-K64 PolarHBondContact O-N 3.24Å; V62-A65 WeakPolarHBondContact O-CB 3.22Å; V62-A65 PolarHBondContact O-N 3.36Å; V62-V66 HydrophobicContact CG1-CG2 4.09Å; V62-V66 WeakPolarHBondContact O-CB 3.4Å; V62-V66 VanDerWaalsContact O-CG2 3.27Å; V62-V66 WeakPolarHBondContact O-CG2 3.43Å; V62-V66 PolarHBondContact O-N 3.08Å; V62-H101 HydrophobicContact CB-CB 4.34Å; V62-H101 HydrophobicContact CG1-CB 4.29Å; V62-H101 HydrophobicContact CG2-CB 4.18Å; V62-V102 HydrophobicContact CG1-CB 4.5Å; V62-V102 HydrophobicContact CG1-CG2 3.88Å; V62-A105 HydrophobicContact CG1-CB 4.02Å
63E98.6Very high98.2Very high74 Ų7446.5 Ų46.535%0.34624%0.244SC..Hα-helixtrans-55-49176.3-179.2-174.1-140.600111.2Y59 A65 V66 T67Y59-E63 HydrophobicContact CE1-CB 4.27Å; Y59-E63 WeakPolarHBondContact O-CB 3.37Å; Y59-E63 PolarHBondContact O-N 3.42Å; E63-A65 VanDerWaalsContact C-N 3.28Å; E63-A65 PolarHBondContact O-N 3.25Å; E63-V66 PolarHBondContact O-N 2.96Å; E63-T67 PolarHBondContact O-N 3.42Å; E63-T67 PolarHBondContact O-OG1 3.47Å
64K98.3Very high98.2Very high159 Ų15939.1 Ų39.169%0.69121%0.212SC*.Hα-helixtrans-59.6-38.4176.3-176.5179.7178.4-178.40112.5A60 V62A60-K64 WeakPolarHBondContact O-CB 3.29Å; A60-K64 PolarHBondContact O-N 3.09Å; V62-K64 VanDerWaalsContact C-N 3.34Å; V62-K64 PolarHBondContact O-N 3.24Å
65A98.4Very high98.2Very high3 Ų340 Ų403%0.02522%0.215CC..Hα-helixtrans-72.6-36.1-18000000113.1L10 F36 L52 Q61 V62 E63 M69L10-A65 HydrophobicContact CD1-CB 4.15Å; L10-A65 HydrophobicContact CD2-CB 4.08Å; F36-A65 HydrophobicContact CB-CB 4.47Å; F36-A65 HydrophobicContact CD2-CB 3.49Å; F36-A65 VanDerWaalsContact CD2-CB 3.49Å; F36-A65 HydrophobicContact CE2-CB 3.79Å; F36-A65 HydrophobicContact CG-CB 4.03Å; L52-A65 HydrophobicContact CD2-CB 3.5Å; L52-A65 VanDerWaalsContact CD2-CB 3.5Å; Q61-A65 WeakPolarHBondContact O-CB 3.5Å; Q61-A65 PolarHBondContact O-N 3.23Å; V62-A65 WeakPolarHBondContact O-CB 3.22Å; V62-A65 PolarHBondContact O-N 3.36Å; E63-A65 VanDerWaalsContact C-N 3.28Å; E63-A65 PolarHBondContact O-N 3.25Å; A65-M69 WeakPolarHBondContact O-CG 3.37Å
66V98.6Very high98.2Very high0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-80.5-27.7-176.9172.10000112.2L10 V62 E63 G68 M69 V72 A105 A109 V111L10-V66 HydrophobicContact CD2-CB 4.39Å; L10-V66 HydrophobicContact CD2-CG2 3.59Å; V62-V66 HydrophobicContact CG1-CG2 4.09Å; V62-V66 WeakPolarHBondContact O-CB 3.4Å; V62-V66 VanDerWaalsContact O-CG2 3.27Å; V62-V66 WeakPolarHBondContact O-CG2 3.43Å; V62-V66 PolarHBondContact O-N 3.08Å; E63-V66 PolarHBondContact O-N 2.96Å; V66-G68 PolarHBondContact O-N 3.47Å; V66-M69 WeakPolarHBondContact O-CB 3.26Å; V66-M69 WeakPolarHBondContact O-CG 3.45Å; V66-M69 PolarHBondContact O-N 3.39Å; V66-V72 HydrophobicContact CG1-CG2 4.34Å; V66-V72 HydrophobicContact CG2-CG2 4.34Å; V66-A105 HydrophobicContact CB-CB 3.97Å; V66-A105 HydrophobicContact CG1-CB 4.1Å; V66-A105 HydrophobicContact CG2-CB 3.96Å; V66-A109 HydrophobicContact CG1-CB 4.28Å; V66-V111 HydrophobicContact CG1-CB 4.22Å; V66-V111 HydrophobicContact CG1-CG2 3.62Å; V66-V111 WeakPolarHBondContact O-CG2 3.4Å
67T97.4Very high98.1Very high80 Ų8040.4 Ų40.449%0.49122%0.222SC..THydrogen-bonded Turntrans-57.8124.2-178.1-62.40000112.3E63E63-T67 PolarHBondContact O-N 3.42Å; E63-T67 PolarHBondContact O-OG1 3.47Å
68G95.3Very high97.9Very high55 Ų5539.2 Ų39.257%0.56722%0.218SC*.THydrogen-bonded Turntrans81.510.2176.900000115.4V66V66-G68 PolarHBondContact O-N 3.47Å
69M97.4Very high97.4Very high29 Ų2934.5 Ų34.514%0.14320%0.195CC..  trans-85.3149.6176-56.1-66.5107.100111.5T8 L10 I34 A65 V66 V111T8-M69 HydrophobicContact CG2-CE 3.78Å; T8-M69 HydrophobicContact CG2-SD 3.74Å; L10-M69 HydrophobicContact CB-CB 4.44Å; L10-M69 HydrophobicContact CB-CG 3.8Å; L10-M69 HydrophobicContact CB-SD 3.9Å; I34-M69 HydrophobicContact CD1-CE 3.98Å; I34-M69 HydrophobicContact CD1-SD 3.65Å; I34-M69 HydrophobicContact CG1-CE 4.37Å; I34-M69 HydrophobicContact CG1-SD 4.17Å; A65-M69 WeakPolarHBondContact O-CG 3.37Å; V66-M69 WeakPolarHBondContact O-CB 3.26Å; V66-M69 WeakPolarHBondContact O-CG 3.45Å; V66-M69 PolarHBondContact O-N 3.39Å; M69-V111 HydrophobicContact CB-CG2 4.34Å; M69-V111 WeakPolarHBondContact O-CG2 3.46Å
70D95.9Very high96.8Very high26 Ų2635.5 Ų35.514%0.13920%0.202CC..SBendtrans-89.7-21.8175.7-61.3-61.2000112.2R5 C7 T8 R113R5-D70 IonicContact CZ-OD1 3.04Å; R5-D70 IonicContact NE-OD1 3.62Å; R5-D70 IonicContact NH2-OD1 2.72Å; R5-D70 PolarHBondContact NH2-OD1 3.24Å; C7-D70 WeakPolarHBondContact CA-OD2 3.49Å; T8-D70 PolarHBondContact N-OD2 2.86Å; T8-D70 PolarHBondContact O-N 2.92Å; D70-R113 PolarHBondContact O-NE 3.28Å; D70-R113 PolarHBondContact O-NH2 3.13Å
71C98.2Very high95.7Very high0 Ų032.7 Ų32.70%018%0.178CC..EExtended strand (participates in β ladder)trans-165.5143.9-178.81740000111.1F9 L10 R113 I115F9-C71 WeakPolarHBondContact CA-O 3.39Å; F9-C71 HydrophobicContact CD1-CB 3.6Å; F9-C71 HydrophobicContact CE1-CB 3.66Å; L10-C71 PolarHBondContact N-O 3.01Å; L10-C71 VanDerWaalsContact N-O 3.07Å; C71-R113 WeakPolarHBondContact CA-O 3.17Å; C71-R113 HydrophobicContact CB-CB 3.94Å; C71-I115 WeakPolarHBondContact SG-CD1 3.32Å
72V98.9Very high94.5Very high0 Ų029.7 Ų29.70%017%0.169CC..EExtended strand (participates in β ladder)trans-113.5129.1177.8178.70000110.1L10 T12 V66 V102 V111 R113 L114 I115L10-V72 HydrophobicContact CB-CG2 4.17Å; L10-V72 HydrophobicContact CD2-CG1 4.29Å; L10-V72 HydrophobicContact CD2-CG2 4.18Å; L10-V72 CarbonylContact O-C 3.55Å; L10-V72 WeakPolarHBondContact O-CA 3.45Å; T12-V72 HydrophobicContact CG2-CG1 4.46Å; V66-V72 HydrophobicContact CG1-CG2 4.34Å; V66-V72 HydrophobicContact CG2-CG2 4.34Å; V72-V102 HydrophobicContact CG1-CG1 3.98Å; V72-V111 HydrophobicContact CG2-CG1 4.04Å; V72-R113 PolarHBondContact N-O 3.05Å; V72-L114 HydrophobicContact CB-CD1 3.7Å; V72-L114 HydrophobicContact CG1-CD1 3.69Å; V72-L114 WeakPolarHBondContact O-CA 3.35Å; V72-I115 PolarHBondContact O-N 3.28Å
73F98.9Very high93.2Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-96.4109163.1-66-83.8000108.6F9 L10 I11 T12 L22 L26 I75 I115 H228 A232F9-F73 HydrophobicContact CB-CD2 4.37Å; F9-F73 HydrophobicContact CB-CE2 4.25Å; F9-F73 HydrophobicContact CD1-CD2 4.31Å; F9-F73 AromaticContact CD1-CE2 3.58Å; F9-F73 HydrophobicContact CD1-CE2 3.58Å; F9-F73 HydrophobicContact CD1-CZ 4.48Å; F9-F73 HydrophobicContact CE1-CE2 4.1Å; F9-F73 AromaticContact CG-CE2 3.98Å; F9-F73 HydrophobicContact CG-CE2 3.98Å; L10-F73 PolarHBondContact O-N 2.77Å; I11-F73 HydrophobicContact CG1-CB 4.26Å; I11-F73 HydrophobicContact CG1-CD2 4.23Å; I11-F73 HydrophobicContact CG2-CB 4.32Å; T12-F73 PolarHBondContact N-O 2.89Å; T12-F73 PolarHBondContact OG1-O 2.96Å; L22-F73 HydrophobicContact CD2-CB 4.12Å; L22-F73 HydrophobicContact CD2-CD1 3.7Å; L22-F73 HydrophobicContact CD2-CD2 4.2Å; L22-F73 HydrophobicContact CD2-CE1 4.11Å; L22-F73 HydrophobicContact CD2-CG 3.74Å; L26-F73 HydrophobicContact CD1-CD2 4.09Å; L26-F73 HydrophobicContact CD1-CE2 3.54Å; L26-F73 HydrophobicContact CD1-CZ 4.15Å; F73-I75 HydrophobicContact CB-CD1 4.24Å; F73-I75 HydrophobicContact CB-CG1 4.23Å; F73-I75 PolarHBondContact O-N 2.76Å; F73-I115 HydrophobicContact CD1-CB 3.71Å; F73-I115 HydrophobicContact CD1-CD1 4.19Å; F73-I115 HydrophobicContact CD1-CG1 4.16Å; F73-I115 HydrophobicContact CD1-CG2 4.07Å; F73-I115 HydrophobicContact CE1-CB 3.97Å; F73-I115 HydrophobicContact CE1-CD1 3.88Å; F73-I115 HydrophobicContact CE1-CG1 3.91Å; F73-I115 HydrophobicContact CE1-CG2 4.3Å; F73-I115 HydrophobicContact CZ-CD1 4.3Å; F73-H228 HydrophobicContact CD1-CB 4.32Å; F73-H228 HydrophobicContact CE1-CB 4.03Å; F73-H228 WeakPolarHBondContact CE1-O 3.22Å; F73-A232 HydrophobicContact CE1-CB 3.89Å; F73-A232 HydrophobicContact CZ-CB 3.55Å
74H98.9Very high92.4Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-92.792.6179-173.733.8000111.3T12 T99 V102 L114 I115 Y116 T117T12-H74 VanDerWaalsContact OG1-CA 3.29Å; T12-H74 WeakPolarHBondContact OG1-CA 3.32Å; T12-H74 PolarHBondContact OG1-ND1 2.93Å; H74-T99 PolarHBondContact CD2-OG1 3.16Å; H74-T99 WeakPolarHBondContact NE2-CA 3.3Å; H74-T99 PolarHBondContact NE2-OG1 3.48Å; H74-V102 HydrophobicContact CB-CG1 4.38Å; H74-L114 HydrophobicContact CB-CD1 3.89Å; H74-I115 PolarHBondContact N-O 3.12Å; H74-Y116 HydrophobicContact CB-CD2 4.12Å; H74-Y116 AromaticContact CD2-CD2 3.41Å; H74-Y116 VanDerWaalsContact CD2-CD2 3.41Å; H74-Y116 WeakPolarHBondContact CD2-CD2 3.29Å; H74-Y116 AromaticContact CD2-CE2 3.45Å; H74-Y116 VanDerWaalsContact CD2-CE2 3.45Å; H74-Y116 WeakPolarHBondContact CD2-CE2 3.05Å; H74-Y116 AromaticContact CG-CD2 4Å; H74-Y116 AromaticContact NE2-CE2 3.89Å; H74-T117 PolarHBondContact O-N 3.29Å
75I98.6Very high91.5Very high22 Ų2230.2 Ų30.211%0.11317%0.166CC..  trans-110-21.2-176-46.5-179.4000111.4I11 T12 F18 L22 F73 S77 T117I11-I75 HydrophobicContact CG2-CD1 3.58Å; I11-I75 HydrophobicContact CG2-CG1 4.2Å; T12-I75 CarbonylContact O-C 3.57Å; T12-I75 WeakPolarHBondContact O-CA 3.1Å; T12-I75 VanDerWaalsContact O-CB 3.28Å; T12-I75 WeakPolarHBondContact O-CB 3.3Å; T12-I75 PolarHBondContact O-N 3.16Å; T12-I75 PolarHBondContact OG1-N 2.69Å; F18-I75 HydrophobicContact CD1-CD1 3.93Å; F18-I75 HydrophobicContact CD1-CG1 4.5Å; F18-I75 HydrophobicContact CD1-CG2 3.56Å; F18-I75 HydrophobicContact CE1-CD1 3.61Å; F18-I75 HydrophobicContact CE1-CG1 4.19Å; F18-I75 HydrophobicContact CE1-CG2 4.05Å; F18-I75 HydrophobicContact CZ-CD1 4.3Å; L22-I75 HydrophobicContact CD2-CD1 3.82Å; F73-I75 HydrophobicContact CB-CD1 4.24Å; F73-I75 HydrophobicContact CB-CG1 4.23Å; F73-I75 PolarHBondContact O-N 2.76Å; I75-S77 PolarHBondContact O-N 2.88Å; I75-T117 WeakPolarHBondContact CG1-OG1 3.29Å
76A97.9Very high90.6Very high13 Ų1334.1 Ų34.111%0.10719%0.186CC..  trans-51.6124.8179.400000111.3T12 I56T12-A76 PolarHBondContact O-N 2.87Å; T12-A76 PolarHBondContact OG1-N 3.03Å; I56-A76 HydrophobicContact CG1-CB 4.45Å
77S96.3Very high90Very high29 Ų2937.2 Ų37.220%0.20320%0.203CC..  trans-160.9155.9179.9-162.10000111.7I75 N95 Y148I75-S77 PolarHBondContact O-N 2.88Å; S77-N95 VanDerWaalsContact CA-OD1 3.22Å; S77-N95 WeakPolarHBondContact CA-OD1 3.32Å; S77-N95 PolarHBondContact OG-OD1 3.08Å; S77-Y148 WeakPolarHBondContact OG-CE2 3.17Å
78Y95.2Very high89.8Confident48 Ų4841.3 Ų41.319%0.18821%0.209CC..  trans-137147.9-178.3-173.6-94.8000112E84 N87 L90 I91 N95 Y148Y78-E84 HydrophobicContact CD1-CB 4.49Å; Y78-E84 HydrophobicContact CE1-CB 3.82Å; Y78-E84 HydrophobicContact CE1-CG 4.41Å; Y78-E84 WeakPolarHBondContact CE1-O 3.22Å; Y78-E84 HydrophobicContact CE2-CB 4.01Å; Y78-E84 HydrophobicContact CE2-CG 3.75Å; Y78-N87 HydrophobicContact CE1-CB 4.16Å; Y78-L90 HydrophobicContact CD1-CB 4.27Å; Y78-L90 HydrophobicContact CD1-CD2 4.12Å; Y78-L90 HydrophobicContact CD1-CG 3.92Å; Y78-L90 HydrophobicContact CD2-CD2 4.39Å; Y78-L90 HydrophobicContact CE1-CB 4.1Å; Y78-L90 HydrophobicContact CE1-CD2 3.68Å; Y78-L90 HydrophobicContact CE1-CG 3.91Å; Y78-L90 HydrophobicContact CE2-CD2 3.96Å; Y78-L90 HydrophobicContact CG-CD2 4.45Å; Y78-L90 HydrophobicContact CG-CG 4.34Å; Y78-I91 HydrophobicContact CD1-CG1 3.76Å; Y78-I91 HydrophobicContact CE1-CG1 4.21Å; Y78-N95 PolarHBondContact N-OD1 3.01Å; Y78-N95 PolarHBondContact O-ND2 2.91Å; Y78-Y148 WeakPolarHBondContact O-CD2 3.42Å
79G88.3Confident89.7Confident0 Ų045.7 Ų45.70%021%0.213CC..  trans92.416.2171.400000116.6S81 Q85 Y148G79-S81 VanDerWaalsContact C-N 3.32Å; G79-S81 PolarHBondContact O-N 3.01Å; G79-Q85 WeakPolarHBondContact O-CG 3.39Å; G79-Y148 WeakPolarHBondContact O-CB 3.45Å
80M84.6Confident89.7Confident59 Ų5945.9 Ų45.929%0.29121%0.214SC..SBendtrans-63.6-34.2-177.9-68.1176.9-52.400113.9Q85 Y148 R191M80-Q85 PolarHBondContact O-NE2 3.04Å; M80-Y148 HydrophobicContact CB-CE2 4.34Å; M80-Y148 HydrophobicContact CG-CD1 4.4Å; M80-Y148 HydrophobicContact CG-CD2 3.81Å; M80-Y148 HydrophobicContact CG-CE1 3.95Å; M80-Y148 HydrophobicContact CG-CE2 3.23Å; M80-Y148 HydrophobicContact CG-CG 4.35Å; M80-Y148 HydrophobicContact SD-CE2 4.28Å; M80-R191 VanDerWaalsContact CE-CD 3.43Å; M80-R191 VanDerWaalsContact CE-CZ 3.47Å
81S77.5Confident89.7Confident9 Ų944.7 Ų44.76%0.06321%0.208CC..SBendtrans-158.8157.8-169.5660000112.9G79G79-S81 VanDerWaalsContact C-N 3.32Å; G79-S81 PolarHBondContact O-N 3.01Å
82G71.5Confident89.7Confident17 Ų1747 Ų4718%0.17522%0.218CC..G310 helixtrans65.1-149.6171.300000113E84 Q85G82-E84 PolarHBondContact O-N 3Å; G82-E84 VanDerWaalsContact O-N 3.08Å; G82-Q85 WeakPolarHBondContact O-CB 3.41Å; G82-Q85 PolarHBondContact O-N 3.46Å; G82-Q85 VanDerWaalsContact O-N 3.11Å
83R72.3Confident89.7Confident175 Ų17549.1 Ų49.166%0.6623%0.228SC*.G310 helixtrans-56.9-27.9-175.769.5-179.8-177.6176.80.8114.3Q85 L86R83-Q85 PolarHBondContact O-N 3.33Å; R83-L86 WeakPolarHBondContact O-CB 3.26Å; R83-L86 PolarHBondContact O-N 2.93Å
84E82.6Confident89.6Confident39 Ų3949.8 Ų49.818%0.18223%0.232CC..G310 helixtrans-65.8-28.6-177.8-59.9-179.1165.500111.7Y78 G82 L86 N87 R191Y78-E84 HydrophobicContact CD1-CB 4.49Å; Y78-E84 HydrophobicContact CE1-CB 3.82Å; Y78-E84 HydrophobicContact CE1-CG 4.41Å; Y78-E84 WeakPolarHBondContact CE1-O 3.22Å; Y78-E84 HydrophobicContact CE2-CB 4.01Å; Y78-E84 HydrophobicContact CE2-CG 3.75Å; G82-E84 PolarHBondContact O-N 3Å; G82-E84 VanDerWaalsContact O-N 3.08Å; E84-L86 PolarHBondContact O-N 3.13Å; E84-L86 VanDerWaalsContact O-N 3.11Å; E84-N87 PolarHBondContact O-N 3.01Å; E84-R191 IonicContact OE1-NH2 3.35Å; E84-R191 IonicContact OE2-CZ 3.56Å; E84-R191 IonicContact OE2-NH1 3.87Å; E84-R191 PolarHBondContact OE2-NH1 3.48Å; E84-R191 IonicContact OE2-NH2 3.12Å; E84-R191 PolarHBondContact OE2-NH2 3.39Å
85Q79.4Confident89.6Confident31 Ų3149.8 Ų49.815%0.14523%0.233CC..G310 helixtrans-59.8-21.6176-78.7-179.4-7.600113G79 M80 G82 R83G79-Q85 WeakPolarHBondContact O-CG 3.39Å; M80-Q85 PolarHBondContact O-NE2 3.04Å; G82-Q85 WeakPolarHBondContact O-CB 3.41Å; G82-Q85 PolarHBondContact O-N 3.46Å; G82-Q85 VanDerWaalsContact O-N 3.11Å; R83-Q85 PolarHBondContact O-N 3.33Å
86L77.9Confident89.6Confident84 Ų8449.7 Ų49.744%0.4423%0.233SC..G310 helixtrans-84.4-20.7-175.8-54.4169.6000112.5R83 E84 R88 H294R83-L86 WeakPolarHBondContact O-CB 3.26Å; R83-L86 PolarHBondContact O-N 2.93Å; E84-L86 PolarHBondContact O-N 3.13Å; E84-L86 VanDerWaalsContact O-N 3.11Å; L86-R88 VanDerWaalsContact C-N 3.35Å; L86-R88 PolarHBondContact O-N 3.41Å; L86-R88 VanDerWaalsContact O-N 3.07Å; L86-H294 WeakPolarHBondContact CD1-NE2 3.23Å
87N88Confident89.7Confident66 Ų6652.6 Ų52.635%0.35324%0.244SC..  trans-89.274.1-177-172.3-9.7000111.3Y78 E84 K89 L90 I91Y78-N87 HydrophobicContact CE1-CB 4.16Å; E84-N87 PolarHBondContact O-N 3.01Å; N87-K89 VanDerWaalsContact C-N 3.31Å; N87-K89 PolarHBondContact O-N 3.4Å; N87-L90 HydrophobicContact CB-CB 4.28Å; N87-L90 VanDerWaalsContact ND2-CB 3.34Å; N87-L90 WeakPolarHBondContact ND2-CB 3.38Å; N87-L90 PolarHBondContact O-N 3.4Å; N87-L90 WeakPolarHBondContact OD1-CB 3.49Å; N87-L90 PolarHBondContact OD1-N 2.86Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.45Å; N87-I91 PolarHBondContact O-N 3.4Å
88R91.3Very high89.8Confident165 Ų16551.2 Ų51.262%0.62324%0.235SC*.Hα-helixtrans-54.8-43.6-173.3-65.4-17360.9-175.7-1.8114.2L86 I91 E92 H147L86-R88 VanDerWaalsContact C-N 3.35Å; L86-R88 PolarHBondContact O-N 3.41Å; L86-R88 VanDerWaalsContact O-N 3.07Å; R88-I91 PolarHBondContact O-N 2.99Å; R88-E92 PolarHBondContact O-N 3.37Å; R88-E92 VanDerWaalsContact O-N 3.15Å; R88-H147 WeakPolarHBondContact CB-CD2 3.39Å; R88-H147 VanDerWaalsContact CG-CD2 3.5Å; R88-H147 WeakPolarHBondContact CG-CD2 3.33Å; R88-H147 PolarHBondContact NE-CD2 3.47Å; R88-H147 PolarHBondContact NE-NE2 2.86Å
89K94.9Very high90Very high148 Ų14849 Ų4964%0.64323%0.226SC*.Hα-helixtrans-60.8-49.2179.6178.6174.7170.5176.50111.1N87 I91 E92 E93N87-K89 VanDerWaalsContact C-N 3.31Å; N87-K89 PolarHBondContact O-N 3.4Å; K89-I91 VanDerWaalsContact C-N 3.32Å; K89-I91 PolarHBondContact O-N 3.09Å; K89-E92 PolarHBondContact O-N 3.11Å; K89-E93 WeakPolarHBondContact CE-OE1 3.2Å; K89-E93 HydrophobicContact CG-CG 4.47Å; K89-E93 WeakPolarHBondContact CG-OE1 3.42Å; K89-E93 IonicContact NZ-OE1 3.1Å; K89-E93 WeakPolarHBondContact O-CG 3.45Å; K89-E93 PolarHBondContact O-N 3.43Å
90L95.6Very high90.5Very high33 Ų3354 Ų5417%0.17325%0.249CC..Hα-helixtrans-67.4-33.6-179.5-173.559.4000112.5R57 Y78 N87 E92 V94R57-L90 VanDerWaalsContact NH1-CD1 3.34Å; Y78-L90 HydrophobicContact CD1-CB 4.27Å; Y78-L90 HydrophobicContact CD1-CD2 4.12Å; Y78-L90 HydrophobicContact CD1-CG 3.92Å; Y78-L90 HydrophobicContact CD2-CD2 4.39Å; Y78-L90 HydrophobicContact CE1-CB 4.1Å; Y78-L90 HydrophobicContact CE1-CD2 3.68Å; Y78-L90 HydrophobicContact CE1-CG 3.91Å; Y78-L90 HydrophobicContact CE2-CD2 3.96Å; Y78-L90 HydrophobicContact CG-CD2 4.45Å; Y78-L90 HydrophobicContact CG-CG 4.34Å; N87-L90 HydrophobicContact CB-CB 4.28Å; N87-L90 VanDerWaalsContact ND2-CB 3.34Å; N87-L90 WeakPolarHBondContact ND2-CB 3.38Å; N87-L90 PolarHBondContact O-N 3.4Å; N87-L90 WeakPolarHBondContact OD1-CB 3.49Å; N87-L90 PolarHBondContact OD1-N 2.86Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 3.34Å; L90-V94 HydrophobicContact CD1-CG2 3.85Å; L90-V94 HydrophobicContact CG-CG2 4.2Å; L90-V94 WeakPolarHBondContact O-CB 3.4Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.92Å
91I96.7Very high91.1Very high0 Ų052.3 Ų52.30%024%0.241CC..Hα-helixtrans-58.4-46.3173-64.8172000110.1Y78 N87 R88 K89 N95 H147 T151Y78-I91 HydrophobicContact CD1-CG1 3.76Å; Y78-I91 HydrophobicContact CE1-CG1 4.21Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.45Å; N87-I91 PolarHBondContact O-N 3.4Å; R88-I91 PolarHBondContact O-N 2.99Å; K89-I91 VanDerWaalsContact C-N 3.32Å; K89-I91 PolarHBondContact O-N 3.09Å; I91-N95 WeakPolarHBondContact CG2-ND2 3.47Å; I91-N95 WeakPolarHBondContact O-CB 3.28Å; I91-N95 PolarHBondContact O-N 3.45Å; I91-H147 HydrophobicContact CD1-CB 4.26Å; I91-T151 HydrophobicContact CG2-CG2 3.55Å; I91-T151 WeakPolarHBondContact CG2-OG1 3.39Å
92E98.1Very high92.2Very high48 Ų4851.9 Ų51.922%0.22424%0.238CC..Hα-helixtrans-68.6-45.5179.5-68.2-70.5-154.900113R88 K89 L90 V94 V96 Q97 H147 R150 T151R88-E92 PolarHBondContact O-N 3.37Å; R88-E92 VanDerWaalsContact O-N 3.15Å; K89-E92 PolarHBondContact O-N 3.11Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 3.34Å; E92-V94 VanDerWaalsContact C-N 3.29Å; E92-V94 PolarHBondContact O-N 3.3Å; E92-V96 WeakPolarHBondContact O-CB 3.36Å; E92-V96 PolarHBondContact O-N 2.74Å; E92-V96 WeakPolarHBondContact OE2-CG2 3.22Å; E92-Q97 PolarHBondContact O-N 2.89Å; E92-H147 IonicContact OE1-CE1 3.95Å; E92-H147 PolarHBondContact OE1-CE1 3.16Å; E92-H147 IonicContact OE1-ND1 3.43Å; E92-H147 IonicContact OE1-NE2 2.83Å; E92-R150 IonicContact OE1-CZ 3.21Å; E92-R150 IonicContact OE1-NH1 2.72Å; E92-R150 PolarHBondContact OE1-NH1 3.17Å; E92-T151 HydrophobicContact CG-CG2 4.07Å; E92-T151 WeakPolarHBondContact OE2-CG2 3.5Å
93E98.3Very high93.5Very high46 Ų4651.9 Ų51.922%0.21523%0.233CC..Iπ-helixtrans-58.5-42.1177.1-70.1175-179.700111.6R57 K89 Q97 G98R57-E93 HydrophobicContact CG-CB 4.03Å; R57-E93 IonicContact NH1-OE2 3.04Å; R57-E93 PolarHBondContact NH1-OE2 2.95Å; K89-E93 WeakPolarHBondContact CE-OE1 3.2Å; K89-E93 HydrophobicContact CG-CG 4.47Å; K89-E93 WeakPolarHBondContact CG-OE1 3.42Å; K89-E93 IonicContact NZ-OE1 3.1Å; K89-E93 WeakPolarHBondContact O-CG 3.45Å; K89-E93 PolarHBondContact O-N 3.43Å; E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-G98 PolarHBondContact O-N 2.6Å
94V98.4Very high94.7Very high13 Ų1349.7 Ų49.78%0.07923%0.225CC..Iπ-helixtrans-77.4-49.6-179173.10000111.7I56 R57 L90 E92 G98I56-V94 HydrophobicContact CG2-CB 4.48Å; I56-V94 HydrophobicContact CG2-CG1 4.05Å; R57-V94 HydrophobicContact CG-CG2 4.12Å; L90-V94 HydrophobicContact CD1-CG2 3.85Å; L90-V94 HydrophobicContact CG-CG2 4.2Å; L90-V94 WeakPolarHBondContact O-CB 3.4Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.92Å; E92-V94 VanDerWaalsContact C-N 3.29Å; E92-V94 PolarHBondContact O-N 3.3Å; V94-G98 WeakPolarHBondContact O-CA 3.41Å
95N98.6Very high95.5Very high1 Ų147.9 Ų47.91%0.00522%0.217CC..Iπ-helixtrans-85.5-32.4-168.2-63.7-20.3000113.1S77 Y78 I91 T99 T151 A155S77-N95 VanDerWaalsContact CA-OD1 3.22Å; S77-N95 WeakPolarHBondContact CA-OD1 3.32Å; S77-N95 PolarHBondContact OG-OD1 3.08Å; Y78-N95 PolarHBondContact N-OD1 3.01Å; Y78-N95 PolarHBondContact O-ND2 2.91Å; I91-N95 WeakPolarHBondContact CG2-ND2 3.47Å; I91-N95 WeakPolarHBondContact O-CB 3.28Å; I91-N95 PolarHBondContact O-N 3.45Å; N95-T99 WeakPolarHBondContact O-CB 3.47Å; N95-T99 PolarHBondContact O-OG1 2.88Å; N95-T151 WeakPolarHBondContact CB-OG1 3.46Å; N95-T151 PolarHBondContact ND2-OG1 3.24Å; N95-A155 WeakPolarHBondContact O-CB 3.26Å
96V98.7Very high96.4Very high20 Ų2046.4 Ų46.412%0.12121%0.21CC..Iπ-helixtrans-99-63.4-179.4178.40000109.8E92 G98 T99 E100 T151 V154E92-V96 WeakPolarHBondContact O-CB 3.36Å; E92-V96 PolarHBondContact O-N 2.74Å; E92-V96 WeakPolarHBondContact OE2-CG2 3.22Å; V96-G98 VanDerWaalsContact C-N 3.32Å; V96-G98 PolarHBondContact O-N 2.59Å; V96-T99 PolarHBondContact O-N 2.74Å; V96-T99 VanDerWaalsContact O-N 3.1Å; V96-E100 WeakPolarHBondContact O-CG 3.43Å; V96-E100 PolarHBondContact O-N 3.44Å; V96-T151 HydrophobicContact CG2-CG2 4.44Å; V96-V154 HydrophobicContact CG1-CG1 3.86Å; V96-V154 HydrophobicContact CG2-CB 4.04Å; V96-V154 HydrophobicContact CG2-CG1 3.88Å
97Q98.8Very high97.4Very high74 Ų7443.8 Ų43.835%0.34620%0.197SC..Iπ-helixtrans-61.8-41.6-178.8177.9-170.421.500111.4E92 E93 T99 E100 H101E92-Q97 PolarHBondContact O-N 2.89Å; E93-Q97 WeakPolarHBondContact O-CB 3.41Å; Q97-T99 VanDerWaalsContact C-N 3.32Å; Q97-T99 PolarHBondContact O-N 2.97Å; Q97-E100 WeakPolarHBondContact O-CB 3.42Å; Q97-E100 PolarHBondContact O-N 3.39Å; Q97-H101 PolarHBondContact NE2-CE1 3.02Å; Q97-H101 PolarHBondContact O-N 2.99Å
98G98.8Very high97.9Very high0 Ų043.3 Ų43.30%019%0.193CC..Hα-helixtrans-60.1-39.1174.700000113.4E93 V94 V96 H101 V102E93-G98 PolarHBondContact O-N 2.6Å; V94-G98 WeakPolarHBondContact O-CA 3.41Å; V96-G98 VanDerWaalsContact C-N 3.32Å; V96-G98 PolarHBondContact O-N 2.59Å; G98-H101 PolarHBondContact O-N 2.69Å; G98-V102 WeakPolarHBondContact O-CG2 3.49Å; G98-V102 PolarHBondContact O-N 3.2Å; G98-V102 VanDerWaalsContact O-N 3.12Å
99T98.9Very high98.2Very high1 Ų137.1 Ų37.11%0.00618%0.177CC..Hα-helixtrans-66.6-42.2173.5-65.20000111.6H74 N95 V96 Q97 H101 V102 L103 Y116 A155 V159H74-T99 PolarHBondContact CD2-OG1 3.16Å; H74-T99 WeakPolarHBondContact NE2-CA 3.3Å; H74-T99 PolarHBondContact NE2-OG1 3.48Å; N95-T99 WeakPolarHBondContact O-CB 3.47Å; N95-T99 PolarHBondContact O-OG1 2.88Å; V96-T99 PolarHBondContact O-N 2.74Å; V96-T99 VanDerWaalsContact O-N 3.1Å; Q97-T99 VanDerWaalsContact C-N 3.32Å; Q97-T99 PolarHBondContact O-N 2.97Å; T99-H101 VanDerWaalsContact C-N 3.31Å; T99-H101 PolarHBondContact O-N 3.15Å; T99-V102 PolarHBondContact O-N 3.22Å; T99-L103 HydrophobicContact CG2-CD1 3.99Å; T99-L103 HydrophobicContact CG2-CG 4.33Å; T99-L103 WeakPolarHBondContact O-CG 3.47Å; T99-L103 PolarHBondContact O-N 3.18Å; T99-Y116 HydrophobicContact CG2-CE2 4.34Å; T99-A155 HydrophobicContact CG2-CB 4.11Å; T99-V159 HydrophobicContact CG2-CG2 3.64Å
100E98.8Very high98.3Very high104 Ų10430.8 Ų30.849%0.48615%0.154SC..Hα-helixtrans-59.4-41.3174.9-69.4172.6174.900111.9V96 Q97 L103 R104V96-E100 WeakPolarHBondContact O-CG 3.43Å; V96-E100 PolarHBondContact O-N 3.44Å; Q97-E100 WeakPolarHBondContact O-CB 3.42Å; Q97-E100 PolarHBondContact O-N 3.39Å; E100-L103 PolarHBondContact O-N 3.18Å; E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.47Å; E100-R104 PolarHBondContact O-N 3.43Å
101H98.9Very high98.4Very high25 Ų2529.3 Ų29.312%0.11615%0.147CC..Hα-helixtrans-61.2-44.3174.5-68.9163.9000112.3I56 R57 Y59 V62 Q97 G98 T99 A105I56-H101 PolarHBondContact O-ND1 3.36Å; R57-H101 PolarHBondContact O-CE1 2.58Å; Y59-H101 HydrophobicContact CD2-CB 4.02Å; Y59-H101 AromaticContact CD2-CD2 3.91Å; V62-H101 HydrophobicContact CB-CB 4.34Å; V62-H101 HydrophobicContact CG1-CB 4.29Å; V62-H101 HydrophobicContact CG2-CB 4.18Å; Q97-H101 PolarHBondContact NE2-CE1 3.02Å; Q97-H101 PolarHBondContact O-N 2.99Å; G98-H101 PolarHBondContact O-N 2.69Å; T99-H101 VanDerWaalsContact C-N 3.31Å; T99-H101 PolarHBondContact O-N 3.15Å; H101-A105 WeakPolarHBondContact O-CB 3.31Å; H101-A105 PolarHBondContact O-N 3.47Å
102V98.9Very high98.4Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-63.5-46.2177.7172.90000111T12 I56 V62 V72 H74 G98 T99 A105 C106 L114T12-V102 HydrophobicContact CG2-CG2 4.24Å; I56-V102 HydrophobicContact CD1-CG2 3.47Å; I56-V102 VanDerWaalsContact CD1-CG2 3.47Å; I56-V102 HydrophobicContact CG1-CG2 4.3Å; V62-V102 HydrophobicContact CG1-CB 4.5Å; V62-V102 HydrophobicContact CG1-CG2 3.88Å; V72-V102 HydrophobicContact CG1-CG1 3.98Å; H74-V102 HydrophobicContact CB-CG1 4.38Å; G98-V102 WeakPolarHBondContact O-CG2 3.49Å; G98-V102 PolarHBondContact O-N 3.2Å; G98-V102 VanDerWaalsContact O-N 3.12Å; T99-V102 PolarHBondContact O-N 3.22Å; V102-A105 PolarHBondContact O-N 3.36Å; V102-C106 WeakPolarHBondContact O-CB 3.31Å; V102-C106 PolarHBondContact O-N 2.95Å; V102-C106 PolarHBondContact O-SG 2.85Å; V102-L114 HydrophobicContact CG1-CD1 3.79Å
103L98.9Very high98.4Very high16 Ų1630 Ų308%0.08415%0.153CC..Hα-helixtrans-59.7-49.4178.7-71.3171.6000111.3T99 E100 C106 V107 L114 A158 V159 A162 L174T99-L103 HydrophobicContact CG2-CD1 3.99Å; T99-L103 HydrophobicContact CG2-CG 4.33Å; T99-L103 WeakPolarHBondContact O-CG 3.47Å; T99-L103 PolarHBondContact O-N 3.18Å; E100-L103 PolarHBondContact O-N 3.18Å; L103-C106 PolarHBondContact O-N 2.8Å; L103-V107 PolarHBondContact O-N 3.15Å; L103-V107 VanDerWaalsContact O-N 3.13Å; L103-L114 HydrophobicContact CD2-CD2 3.34Å; L103-L114 HydrophobicContact CG-CD2 4.34Å; L103-A158 HydrophobicContact CD1-CB 4.11Å; L103-V159 HydrophobicContact CD1-CG2 4.23Å; L103-V159 HydrophobicContact CD2-CG2 4.24Å; L103-A162 HydrophobicContact CD1-CB 4.11Å; L103-A162 HydrophobicContact CD2-CB 3.69Å; L103-A162 HydrophobicContact CG-CB 4.38Å; L103-L174 HydrophobicContact CD2-CD2 4Å
104R98.8Very high98.5Very high130 Ų13027.8 Ų27.849%0.49114%0.143SC..Hα-helixtrans-59.3-48.5177.2-178.3-179.1172.4-164.5-9.2111.4Y59 E100 C106 V107 E108Y59-R104 HydrophobicContact CE2-CB 3.97Å; Y59-R104 HydrophobicContact CE2-CG 3.73Å; E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.47Å; E100-R104 PolarHBondContact O-N 3.43Å; R104-C106 VanDerWaalsContact C-N 3.31Å; R104-C106 PolarHBondContact O-N 3.17Å; R104-V107 PolarHBondContact O-N 2.93Å; R104-E108 HydrophobicContact CG-CG 4.32Å; R104-E108 IonicContact CZ-OE1 3.23Å; R104-E108 IonicContact NE-OE1 2.73Å; R104-E108 PolarHBondContact NE-OE1 3.19Å; R104-E108 IonicContact NH2-OE1 3.44Å; R104-E108 PolarHBondContact NH2-OE1 2.97Å; R104-E108 IonicContact NH2-OE2 3.96Å; R104-E108 WeakPolarHBondContact O-CB 3.38Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 2.9Å
105A98.8Very high98.5Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-62-38.6179.200000112Y59 V62 V66 H101 V102 E108 A109Y59-A105 HydrophobicContact CE2-CB 4.2Å; V62-A105 HydrophobicContact CG1-CB 4.02Å; V66-A105 HydrophobicContact CB-CB 3.97Å; V66-A105 HydrophobicContact CG1-CB 4.1Å; V66-A105 HydrophobicContact CG2-CB 3.96Å; H101-A105 WeakPolarHBondContact O-CB 3.31Å; H101-A105 PolarHBondContact O-N 3.47Å; V102-A105 PolarHBondContact O-N 3.36Å; A105-E108 PolarHBondContact O-N 3.32Å; A105-A109 WeakPolarHBondContact O-CB 3.21Å; A105-A109 PolarHBondContact O-N 3.16Å
106C98.8Very high98.5Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-61.9-47.2176.9-68.60000111.2V102 L103 R104 G110 V111 L174V102-C106 WeakPolarHBondContact O-CB 3.31Å; V102-C106 PolarHBondContact O-N 2.95Å; V102-C106 PolarHBondContact O-SG 2.85Å; L103-C106 PolarHBondContact O-N 2.8Å; R104-C106 VanDerWaalsContact C-N 3.31Å; R104-C106 PolarHBondContact O-N 3.17Å; C106-G110 PolarHBondContact O-N 3.1Å; C106-G110 VanDerWaalsContact O-N 3.13Å; C106-V111 HydrophobicContact CB-CB 4.12Å; C106-V111 PolarHBondContact O-N 2.51Å; C106-L174 HydrophobicContact CB-CD1 4.02Å
107V98.6Very high98.5Very high30 Ų3026.8 Ų26.818%0.18214%0.137CC..Hα-helixtrans-64.3-46178.4171.90000111.6L103 R104 A109 T165 E166 K168 L174L103-V107 PolarHBondContact O-N 3.15Å; L103-V107 VanDerWaalsContact O-N 3.13Å; R104-V107 PolarHBondContact O-N 2.93Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.92Å; V107-T165 HydrophobicContact CG1-CG2 4.35Å; V107-T165 HydrophobicContact CG2-CG2 4.03Å; V107-E166 WeakPolarHBondContact CG1-O 3.48Å; V107-K168 WeakPolarHBondContact O-CB 3.37Å; V107-K168 PolarHBondContact O-N 2.86Å; V107-L174 HydrophobicContact CG2-CB 4.32Å; V107-L174 HydrophobicContact CG2-CD2 4.07Å
108E98.4Very high98.5Very high55 Ų5523.5 Ų23.526%0.25712%0.122SC..Hα-helixtrans-68.2-32.2-178.3-71.3-171.7-17100112.9Y59 R104 A105 K168Y59-E108 PolarHBondContact OH-OE1 2.65Å; Y59-E108 PolarHBondContact OH-OE2 2.9Å; R104-E108 HydrophobicContact CG-CG 4.32Å; R104-E108 IonicContact CZ-OE1 3.23Å; R104-E108 IonicContact NE-OE1 2.73Å; R104-E108 PolarHBondContact NE-OE1 3.19Å; R104-E108 IonicContact NH2-OE1 3.44Å; R104-E108 PolarHBondContact NH2-OE1 2.97Å; R104-E108 IonicContact NH2-OE2 3.96Å; R104-E108 WeakPolarHBondContact O-CB 3.38Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 2.9Å; A105-E108 PolarHBondContact O-N 3.32Å; E108-K168 HydrophobicContact CB-CD 4.24Å; E108-K168 HydrophobicContact CG-CD 4.21Å
109A97.9Very high98.5Very high35 Ų3524 Ų2429%0.28913%0.125SC..THydrogen-bonded Turntrans-95.13.3-178.700000114.7V66 A105 V107 V111V66-A109 HydrophobicContact CG1-CB 4.28Å; A105-A109 WeakPolarHBondContact O-CB 3.21Å; A105-A109 PolarHBondContact O-N 3.16Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.92Å; A109-V111 VanDerWaalsContact C-N 3.33Å; A109-V111 HydrophobicContact CB-CG2 4.28Å; A109-V111 PolarHBondContact O-N 2.73Å
110G97.4Very high98.4Very high16 Ų1624.8 Ų24.817%0.16513%0.128CC..THydrogen-bonded Turntrans73.319.918000000114.6C106 S112C106-G110 PolarHBondContact O-N 3.1Å; C106-G110 VanDerWaalsContact O-N 3.13Å; G110-S112 PolarHBondContact O-N 2.92Å
111V97.8Very high98.2Very high2 Ų220.3 Ų20.31%0.01211%0.108CC..  trans-81.8112.2178.1-1780000110V66 M69 V72 C106 A109 L174V66-V111 HydrophobicContact CG1-CB 4.22Å; V66-V111 HydrophobicContact CG1-CG2 3.62Å; V66-V111 WeakPolarHBondContact O-CG2 3.4Å; M69-V111 HydrophobicContact CB-CG2 4.34Å; M69-V111 WeakPolarHBondContact O-CG2 3.46Å; V72-V111 HydrophobicContact CG2-CG1 4.04Å; C106-V111 HydrophobicContact CB-CB 4.12Å; C106-V111 PolarHBondContact O-N 2.51Å; A109-V111 VanDerWaalsContact C-N 3.33Å; A109-V111 HydrophobicContact CB-CG2 4.28Å; A109-V111 PolarHBondContact O-N 2.73Å; V111-L174 WeakPolarHBondContact O-CD1 3.47Å
112S96.4Very high98.2Very high40 Ų4019.1 Ų19.128%0.2810%0.102SC..  trans-88.1-7.2-168.4620000115.5G110 R175G110-S112 PolarHBondContact O-N 2.92Å; S112-R175 WeakPolarHBondContact O-CB 3.36Å; S112-R175 PolarHBondContact O-N 2.95Å
113R98.4Very high98.1Very high22 Ų2219.3 Ų19.38%0.08310%0.103CC..EExtended strand (participates in β ladder)trans-133.1130-174.9-63.9-173.3-62.6158.4-4.5112.9D70 C71 V72 R175 A232 L235D70-R113 PolarHBondContact O-NE 3.28Å; D70-R113 PolarHBondContact O-NH2 3.13Å; C71-R113 WeakPolarHBondContact CA-O 3.17Å; C71-R113 HydrophobicContact CB-CB 3.94Å; V72-R113 PolarHBondContact N-O 3.05Å; R113-R175 WeakPolarHBondContact CA-O 3.47Å; R113-A232 PolarHBondContact NH1-O 3.2Å; R113-A232 VanDerWaalsContact NH1-O 3.09Å; R113-L235 HydrophobicContact CB-CD1 4.08Å; R113-L235 HydrophobicContact CG-CB 4.06Å; R113-L235 HydrophobicContact CG-CD1 4.39Å
114L98.9Very high98Very high0 Ų018.6 Ų18.60%010%0.099CC..EExtended strand (participates in β ladder)trans-137.9126.4178.117870.6000111.3V72 H74 V102 L103 V159 L174 R175 A176 C177V72-L114 HydrophobicContact CB-CD1 3.7Å; V72-L114 HydrophobicContact CG1-CD1 3.69Å; V72-L114 WeakPolarHBondContact O-CA 3.35Å; H74-L114 HydrophobicContact CB-CD1 3.89Å; V102-L114 HydrophobicContact CG1-CD1 3.79Å; L103-L114 HydrophobicContact CD2-CD2 3.34Å; L103-L114 HydrophobicContact CG-CD2 4.34Å; L114-V159 HydrophobicContact CD2-CG1 4.32Å; L114-L174 HydrophobicContact CB-CD1 4.11Å; L114-R175 PolarHBondContact N-O 3.42Å; L114-A176 HydrophobicContact CB-CB 4.05Å; L114-A176 HydrophobicContact CD2-CB 4.31Å; L114-A176 HydrophobicContact CG-CB 4.49Å; L114-A176 WeakPolarHBondContact O-CA 3.46Å; L114-C177 PolarHBondContact O-N 2.74Å; L114-C177 VanDerWaalsContact O-N 3.08Å
115I98.9Very high97.7Very high0 Ų013.1 Ų13.10%08%0.083CC..EExtended strand (participates in β ladder)trans-110.9119.5172.6-60.878.2000107.2C71 V72 F73 H74 L179 A231 A232 L235C71-I115 WeakPolarHBondContact SG-CD1 3.32Å; V72-I115 PolarHBondContact O-N 3.28Å; F73-I115 HydrophobicContact CD1-CB 3.71Å; F73-I115 HydrophobicContact CD1-CD1 4.19Å; F73-I115 HydrophobicContact CD1-CG1 4.16Å; F73-I115 HydrophobicContact CD1-CG2 4.07Å; F73-I115 HydrophobicContact CE1-CB 3.97Å; F73-I115 HydrophobicContact CE1-CD1 3.88Å; F73-I115 HydrophobicContact CE1-CG1 3.91Å; F73-I115 HydrophobicContact CE1-CG2 4.3Å; F73-I115 HydrophobicContact CZ-CD1 4.3Å; H74-I115 PolarHBondContact N-O 3.12Å; I115-L179 HydrophobicContact CG2-CD1 4.29Å; I115-L179 HydrophobicContact CG2-CG 4.43Å; I115-A231 HydrophobicContact CG1-CB 4.48Å; I115-A231 HydrophobicContact CG2-CB 4.42Å; I115-A232 HydrophobicContact CD1-CB 3.65Å; I115-A232 HydrophobicContact CG1-CB 4.1Å; I115-L235 HydrophobicContact CD1-CD1 3.81Å; I115-L235 HydrophobicContact CG1-CD1 4.09Å
116Y98.9Very high97.4Very high0 Ų014 Ų140%09%0.093CC..EExtended strand (participates in β ladder)trans-100125.5178.5-177.6-114.5000111.4H74 T99 S118 K152 A155 E156 V159 C177 A178 L179H74-Y116 HydrophobicContact CB-CD2 4.12Å; H74-Y116 AromaticContact CD2-CD2 3.41Å; H74-Y116 VanDerWaalsContact CD2-CD2 3.41Å; H74-Y116 WeakPolarHBondContact CD2-CD2 3.29Å; H74-Y116 AromaticContact CD2-CE2 3.45Å; H74-Y116 VanDerWaalsContact CD2-CE2 3.45Å; H74-Y116 WeakPolarHBondContact CD2-CE2 3.05Å; H74-Y116 AromaticContact CG-CD2 4Å; H74-Y116 AromaticContact NE2-CE2 3.89Å; T99-Y116 HydrophobicContact CG2-CE2 4.34Å; Y116-S118 PolarHBondContact O-N 2.84Å; Y116-K152 WeakPolarHBondContact OH-CE 3.41Å; Y116-K152 PolarHBondContact OH-NZ 3.13Å; Y116-A155 WeakPolarHBondContact OH-CB 3.22Å; Y116-E156 HydrophobicContact CD1-CB 4.35Å; Y116-E156 HydrophobicContact CD1-CG 4.39Å; Y116-E156 HydrophobicContact CE1-CB 4.02Å; Y116-V159 HydrophobicContact CD1-CG2 4.28Å; Y116-V159 HydrophobicContact CD2-CG2 4.08Å; Y116-V159 HydrophobicContact CG-CG2 3.91Å; Y116-C177 PolarHBondContact N-O 3.5Å; Y116-A178 HydrophobicContact CD1-CB 4.25Å; Y116-A178 WeakPolarHBondContact O-CA 3.46Å; Y116-L179 PolarHBondContact O-N 3.48Å
117T98.8Very high97.1Very high13 Ų1317.7 Ų17.78%0.0811%0.11CC..EExtended strand (participates in β ladder)trans-82.6103.2169.9-50.60000109F18 H74 I75 K152 P181 H228F18-T117 HydrophobicContact CD1-CG2 4.44Å; F18-T117 HydrophobicContact CE1-CG2 4.19Å; H74-T117 PolarHBondContact O-N 3.29Å; I75-T117 WeakPolarHBondContact CG1-OG1 3.29Å; T117-K152 WeakPolarHBondContact O-CE 3.39Å; T117-K152 PolarHBondContact O-NZ 3.46Å; T117-P181 HydrophobicContact CG2-CG 4.26Å; T117-H228 PolarHBondContact OG1-NE2 2.89Å
118S98.5Very high97.1Very high4 Ų420.7 Ų20.73%0.02813%0.128CC..  trans-92.9-145.5174-166.40000111.1Y116 V122 E156 L179 P181Y116-S118 PolarHBondContact O-N 2.84Å; S118-V122 WeakPolarHBondContact OG-CG1 3.31Å; S118-E156 WeakPolarHBondContact CB-OE2 3.23Å; S118-E156 PolarHBondContact OG-OE2 3.18Å; S118-L179 CarbonylContact C-O 3.41Å; S118-L179 VanDerWaalsContact CA-O 3.25Å; S118-L179 WeakPolarHBondContact CA-O 3.42Å; S118-L179 VanDerWaalsContact CB-O 3.3Å; S118-L179 WeakPolarHBondContact CB-O 3.45Å; S118-L179 PolarHBondContact N-O 2.86Å; S118-P181 WeakPolarHBondContact O-CD 3.18Å
119T97.8Very high97Very high10 Ų1018.8 Ų18.86%0.06112%0.119CC..  trans-162.9151.5179.5175.40000109.9N121 V122 Y148 K152T119-N121 HydrophobicContact CG2-CB 3.76Å; T119-N121 PolarHBondContact O-N 3.41Å; T119-N121 VanDerWaalsContact O-N 3.12Å; T119-N121 PolarHBondContact OG1-N 3.36Å; T119-N121 PolarHBondContact OG1-ND2 2.88Å; T119-V122 HydrophobicContact CG2-CG1 4.08Å; T119-V122 WeakPolarHBondContact O-CG1 3.44Å; T119-V122 VanDerWaalsContact O-CG2 3.32Å; T119-V122 WeakPolarHBondContact O-CG2 2.95Å; T119-V122 PolarHBondContact O-N 3.48Å; T119-Y148 HydrophobicContact CG2-CE1 4.26Å; T119-K152 HydrophobicContact CG2-CB 3.9Å; T119-K152 HydrophobicContact CG2-CG 4.09Å
120F97.1Very high97Very high19 Ų1923.3 Ų23.38%0.08314%0.135CC..G310 helixtrans-60.9-18170.471.6-97.2000113.4V122 V123 F124 P181 F249 H319 F321F120-V122 PolarHBondContact O-N 2.9Å; F120-V123 WeakPolarHBondContact O-CG2 3.31Å; F120-V123 PolarHBondContact O-N 2.92Å; F120-V123 VanDerWaalsContact O-N 3.1Å; F120-F124 HydrophobicContact CD2-CB 4.01Å; F120-F124 HydrophobicContact CD2-CD1 4.46Å; F120-F124 HydrophobicContact CD2-CG 4.4Å; F120-F124 HydrophobicContact CE2-CB 4.38Å; F120-F124 AromaticContact CE2-CD1 3.98Å; F120-F124 HydrophobicContact CE2-CD1 3.98Å; F120-F124 HydrophobicContact CE2-CG 4.32Å; F120-F124 PolarHBondContact O-N 2.85Å; F120-P181 VanDerWaalsContact CD1-O 3.31Å; F120-P181 WeakPolarHBondContact CD1-O 3.29Å; F120-F249 HydrophobicContact CB-CD1 4.2Å; F120-F249 HydrophobicContact CB-CE1 3.92Å; F120-H319 AromaticContact CD2-CD2 3.91Å; F120-H319 AromaticContact CE2-CD2 3.36Å; F120-H319 WeakPolarHBondContact CE2-CD2 3.5Å; F120-H319 AromaticContact CE2-NE2 3.47Å; F120-H319 WeakPolarHBondContact CE2-NE2 3.38Å; F120-H319 AromaticContact CZ-CD2 3.83Å; F120-H319 AromaticContact CZ-NE2 3.53Å; F120-F321 HydrophobicContact CB-CD2 4.06Å; F120-F321 HydrophobicContact CB-CE2 3.5Å; F120-F321 VanDerWaalsContact CB-CE2 3.5Å; F120-F321 HydrophobicContact CB-CZ 3.91Å; F120-F321 AromaticContact CD2-CE2 3.83Å; F120-F321 HydrophobicContact CD2-CE2 3.83Å; F120-F321 HydrophobicContact CD2-CZ 4.17Å; F120-F321 AromaticContact CG-CE2 3.8Å; F120-F321 HydrophobicContact CG-CE2 3.8Å; F120-F321 HydrophobicContact CG-CZ 4.39Å
121N95.9Very high97Very high10 Ų1024.1 Ų24.15%0.05314%0.143CC..G310 helixtrans-61.2-13.4177.7-61.7-44.3000113.4T119 V123 F124 H144 S149 K314T119-N121 HydrophobicContact CG2-CB 3.76Å; T119-N121 PolarHBondContact O-N 3.41Å; T119-N121 VanDerWaalsContact O-N 3.12Å; T119-N121 PolarHBondContact OG1-N 3.36Å; T119-N121 PolarHBondContact OG1-ND2 2.88Å; N121-V123 PolarHBondContact O-N 2.8Å; N121-F124 PolarHBondContact O-N 2.8Å; N121-H144 PolarHBondContact O-CE1 3Å; N121-H144 PolarHBondContact O-ND1 2.91Å; N121-S149 VanDerWaalsContact CB-OG 3.29Å; N121-S149 WeakPolarHBondContact CB-OG 3.38Å; N121-K314 PolarHBondContact ND2-NZ 3.18Å; N121-K314 WeakPolarHBondContact OD1-CE 3.43Å; N121-K314 PolarHBondContact OD1-NZ 3.21Å
122V98.1Very high97Very high0 Ų024.6 Ų24.60%015%0.148CC..G310 helixtrans-67.7-19.8175.7-55.80000113.2S118 T119 F120 Y138 L139 K152 S153 R180S118-V122 WeakPolarHBondContact OG-CG1 3.31Å; T119-V122 HydrophobicContact CG2-CG1 4.08Å; T119-V122 WeakPolarHBondContact O-CG1 3.44Å; T119-V122 VanDerWaalsContact O-CG2 3.32Å; T119-V122 WeakPolarHBondContact O-CG2 2.95Å; T119-V122 PolarHBondContact O-N 3.48Å; F120-V122 PolarHBondContact O-N 2.9Å; V122-Y138 HydrophobicContact CB-CD1 4.05Å; V122-Y138 HydrophobicContact CB-CE1 4.15Å; V122-Y138 HydrophobicContact CG2-CD1 4.24Å; V122-Y138 HydrophobicContact CG2-CE1 4.1Å; V122-L139 PolarHBondContact O-N 3.35Å; V122-K152 HydrophobicContact CG1-CB 4.16Å; V122-S153 WeakPolarHBondContact CA-OG 3.48Å; V122-S153 WeakPolarHBondContact CB-OG 3.36Å; V122-R180 HydrophobicContact CG2-CG 4.33Å
123V97.8Very high97.1Very high3 Ų325.9 Ų25.92%0.01815%0.152CC..THydrogen-bonded Turntrans-115.3-10.8174.7-56.70000113.3F120 N121 Q127 I129 L136 P137 F249 F321F120-V123 WeakPolarHBondContact O-CG2 3.31Å; F120-V123 PolarHBondContact O-N 2.92Å; F120-V123 VanDerWaalsContact O-N 3.1Å; N121-V123 PolarHBondContact O-N 2.8Å; V123-Q127 PolarHBondContact O-NE2 2.88Å; V123-I129 HydrophobicContact CG2-CD1 4.47Å; V123-L136 HydrophobicContact CB-CB 4.4Å; V123-L136 HydrophobicContact CG1-CB 4.22Å; V123-L136 HydrophobicContact CG2-CD1 4.23Å; V123-P137 WeakPolarHBondContact CG1-O 3.36Å; V123-F249 HydrophobicContact CG2-CE1 4.15Å; V123-F249 HydrophobicContact CG2-CZ 3.83Å; V123-F321 HydrophobicContact CG2-CE1 3.55Å; V123-F321 HydrophobicContact CG2-CZ 3.92Å
124F95.9Very high97.1Very high1 Ų126.5 Ų26.50%0.00416%0.156CC..  trans-109.9128.5-173.7176-100000112.9F120 N121 Q127 I129 K314 V317 H319F120-F124 HydrophobicContact CD2-CB 4.01Å; F120-F124 HydrophobicContact CD2-CD1 4.46Å; F120-F124 HydrophobicContact CD2-CG 4.4Å; F120-F124 HydrophobicContact CE2-CB 4.38Å; F120-F124 AromaticContact CE2-CD1 3.98Å; F120-F124 HydrophobicContact CE2-CD1 3.98Å; F120-F124 HydrophobicContact CE2-CG 4.32Å; F120-F124 PolarHBondContact O-N 2.85Å; N121-F124 PolarHBondContact O-N 2.8Å; F124-Q127 WeakPolarHBondContact CE2-O 3.3Å; F124-I129 HydrophobicContact CB-CD1 4.35Å; F124-I129 HydrophobicContact CD2-CD1 4.13Å; F124-K314 HydrophobicContact CE1-CG 3.95Å; F124-V317 HydrophobicContact CE2-CG1 4.42Å; F124-V317 HydrophobicContact CZ-CB 4.45Å; F124-H319 HydrophobicContact CD2-CB 3.8Å; F124-H319 HydrophobicContact CE2-CB 3.69Å; F124-H319 AromaticContact CE2-CG 3.74Å; F124-H319 AromaticContact CE2-ND1 3.87Å; F124-H319 HydrophobicContact CZ-CB 4.43Å; F124-H319 AromaticContact CZ-CG 3.99Å; F124-H319 AromaticContact CZ-ND1 3.76Å
125G92.8Very high97.1Very high15 Ų1531.3 Ų31.316%0.15519%0.19CC..SBendtrans-130.311.9177.300000114.5
126G91.5Very high97Very high19 Ų1933.8 Ų33.820%0.19620%0.203CC..SBendtrans108.13.2-176.500000114.9
127Q94.3Very high97Very high78 Ų7838.6 Ų38.636%0.36423%0.234SC..  trans-77152.7167.275.2-78.516.100111.5V123 F124 I129V123-Q127 PolarHBondContact O-NE2 2.88Å; F124-Q127 WeakPolarHBondContact CE2-O 3.3Å; Q127-I129 HydrophobicContact CG-CD1 4.45Å; Q127-I129 HydrophobicContact CG-CG1 4.13Å
128V96.8Very high96.9Very high93 Ų9341.1 Ų41.156%0.56424%0.242SC*.  trans-69.2132.7174172.70000110E130 V317 T318V128-E130 HydrophobicContact CG1-CG 4Å; V128-V317 HydrophobicContact CG2-CG1 3.88Å; V128-T318 WeakPolarHBondContact CA-O 3.39Å
129I98.1Very high96.9Very high14 Ų1441.7 Ų41.77%0.07225%0.245CC..EExtended strand (participates in β ladder)trans-131.7125.9173.4-58.1177.4000108.3V123 F124 Q127 L136 T318 H319 Y320 F321V123-I129 HydrophobicContact CG2-CD1 4.47Å; F124-I129 HydrophobicContact CB-CD1 4.35Å; F124-I129 HydrophobicContact CD2-CD1 4.13Å; Q127-I129 HydrophobicContact CG-CD1 4.45Å; Q127-I129 HydrophobicContact CG-CG1 4.13Å; I129-L136 HydrophobicContact CD1-CD1 4.35Å; I129-L136 HydrophobicContact CG2-CD1 4.03Å; I129-T318 PolarHBondContact N-O 2.8Å; I129-H319 HydrophobicContact CB-CB 4.29Å; I129-H319 WeakPolarHBondContact O-CA 3.3Å; I129-Y320 PolarHBondContact O-N 3.21Å; I129-F321 HydrophobicContact CD1-CE1 3.9Å; I129-F321 HydrophobicContact CD1-CZ 3.95Å; I129-F321 HydrophobicContact CG2-CD1 4.23Å; I129-F321 HydrophobicContact CG2-CE1 3.83Å; I129-F321 HydrophobicContact CG2-CZ 4.38Å
130E97.7Very high96.9Very high130 Ų13044.2 Ų44.261%0.60726%0.261SS*.EExtended strand (participates in β ladder)trans-125.2107.5179.1-64.5-171128.900109.2V128 G132 T318 Y320V128-E130 HydrophobicContact CG1-CG 4Å; E130-G132 VanDerWaalsContact C-N 3.29Å; E130-G132 PolarHBondContact O-N 3.25Å; E130-T318 HydrophobicContact CG-CG2 3.83Å; E130-Y320 HydrophobicContact CB-CE1 3.77Å; E130-Y320 HydrophobicContact CG-CE1 3.87Å
131G97.6Very high96.9Very high34 Ų3446.3 Ų46.335%0.35127%0.273SS..EExtended strand (participates in β ladder)trans66.528178.500000114.1Y320G131-Y320 VanDerWaalsContact CA-CE2 3.5Å; G131-Y320 PolarHBondContact N-O 3.01Å
132G97.7Very high96.8Very high11 Ų1153.3 Ų53.311%0.11331%0.305CS..EExtended strand (participates in β ladder)trans-64.1146.5-179.800000112.6E130 Y320 F321 S322E130-G132 VanDerWaalsContact C-N 3.29Å; E130-G132 PolarHBondContact O-N 3.25Å; G132-Y320 PolarHBondContact N-O 2.76Å; G132-F321 CarbonylContact O-C 3.55Å; G132-F321 WeakPolarHBondContact O-CA 3.25Å; G132-F321 VanDerWaalsContact O-CB 3.3Å; G132-F321 WeakPolarHBondContact O-CB 3.32Å; G132-S322 PolarHBondContact O-N 3.32Å
133D98.3Very high96.6Very high67 Ų6757.7 Ų57.736%0.35833%0.328SS..  trans-119.6-173.4-178.867.217.8000111.9S135 L136 F249D133-S135 PolarHBondContact O-N 3.09Å; D133-S135 VanDerWaalsContact O-N 3.08Å; D133-S135 WeakPolarHBondContact OD1-CB 2.96Å; D133-S135 PolarHBondContact OD1-N 3.41Å; D133-S135 PolarHBondContact OD1-OG 3.23Å; D133-L136 WeakPolarHBondContact O-CB 3.38Å; D133-L136 WeakPolarHBondContact O-CG 3.25Å; D133-L136 PolarHBondContact O-N 2.79Å; D133-L136 VanDerWaalsContact O-N 3.09Å; D133-F249 WeakPolarHBondContact O-CE2 3.37Å
134E98.1Very high96.4Very high36 Ų3658.5 Ų58.517%0.16833%0.332CS..THydrogen-bonded Turntrans-66.1-6.3-177.7-64.782.2-176.200114.7L136 A247 Y248 F249 K325E134-L136 VanDerWaalsContact C-N 3.25Å; E134-A247 WeakPolarHBondContact CG-O 3.23Å; E134-Y248 WeakPolarHBondContact OE1-CA 3.44Å; E134-F249 HydrophobicContact CG-CD2 4.03Å; E134-F249 HydrophobicContact CG-CE2 4.22Å; E134-F249 PolarHBondContact OE1-N 3.07Å; E134-K325 HydrophobicContact CB-CD 4.23Å; E134-K325 HydrophobicContact CG-CD 3.93Å; E134-K325 WeakPolarHBondContact OE2-CB 3.36Å
135S97.9Very high95.9Very high101 Ų10160.7 Ų60.771%0.70635%0.346SS*.THydrogen-bonded Turntrans-75.1-15171.175.80000113.1D133D133-S135 PolarHBondContact O-N 3.09Å; D133-S135 VanDerWaalsContact O-N 3.08Å; D133-S135 WeakPolarHBondContact OD1-CB 2.96Å; D133-S135 PolarHBondContact OD1-N 3.41Å; D133-S135 PolarHBondContact OD1-OG 3.23Å
136L97.9Very high95.7Very high52 Ų5260.7 Ų60.727%0.27234%0.342SS..SBendtrans-58.4131.4175-73.1176.6000110.8V123 I129 D133 E134 F321V123-L136 HydrophobicContact CB-CB 4.4Å; V123-L136 HydrophobicContact CG1-CB 4.22Å; V123-L136 HydrophobicContact CG2-CD1 4.23Å; I129-L136 HydrophobicContact CD1-CD1 4.35Å; I129-L136 HydrophobicContact CG2-CD1 4.03Å; D133-L136 WeakPolarHBondContact O-CB 3.38Å; D133-L136 WeakPolarHBondContact O-CG 3.25Å; D133-L136 PolarHBondContact O-N 2.79Å; D133-L136 VanDerWaalsContact O-N 3.09Å; E134-L136 VanDerWaalsContact C-N 3.25Å; L136-F321 HydrophobicContact CD1-CD1 4.16Å; L136-F321 HydrophobicContact CD1-CE1 3.9Å
137P97.7Very high95.8Very high100 Ų10061.1 Ų61.165%0.64934%0.339SS*.PPolyproline II helixtrans-67.4152.5176.730.3-35.1000110.2V123 L139V123-P137 WeakPolarHBondContact CG1-O 3.36Å; P137-L139 PolarHBondContact O-N 2.96Å
138Y98.3Very high95.8Very high67 Ų6758.1 Ų58.126%0.26333%0.325SS..PPolyproline II helixtrans-51.5137.9163-71.2-75.7000109.9V122 E156 M157V122-Y138 HydrophobicContact CB-CD1 4.05Å; V122-Y138 HydrophobicContact CB-CE1 4.15Å; V122-Y138 HydrophobicContact CG2-CD1 4.24Å; V122-Y138 HydrophobicContact CG2-CE1 4.1Å; Y138-E156 HydrophobicContact CE1-CB 4.36Å; Y138-E156 HydrophobicContact CE1-CG 4.43Å; Y138-E156 WeakPolarHBondContact CE1-OE1 3.49Å; Y138-E156 PolarHBondContact OH-OE1 2.93Å; Y138-M157 HydrophobicContact CD1-CG 4.35Å; Y138-M157 HydrophobicContact CD2-CG 3.91Å; Y138-M157 HydrophobicContact CD2-SD 4.11Å; Y138-M157 HydrophobicContact CE1-CG 4.09Å; Y138-M157 HydrophobicContact CE2-CG 3.62Å; Y138-M157 HydrophobicContact CE2-SD 4.41Å; Y138-M157 HydrophobicContact CG-CG 4.27Å; Y138-M157 HydrophobicContact CG-SD 4.31Å
139L97.5Very high95.7Very high16 Ų1653.7 Ų53.78%0.08430%0.298CS..PPolyproline II helixtrans-61.9132.1172-174.174.6000108.3V122 P137 L141 L143 H144V122-L139 PolarHBondContact O-N 3.35Å; P137-L139 PolarHBondContact O-N 2.96Å; L139-L141 PolarHBondContact O-N 3.01Å; L139-L143 HydrophobicContact CD1-CB 4.12Å; L139-L143 HydrophobicContact CD1-CD1 4.43Å; L139-L143 HydrophobicContact CD2-CB 4.1Å; L139-L143 HydrophobicContact CG-CB 3.97Å; L139-H144 HydrophobicContact CD2-CB 4.47Å; L139-H144 PolarHBondContact O-NE2 3.44Å
140P97.8Very high95.7Very high63 Ų6356.9 Ų56.941%0.40931%0.309SS..PPolyproline II helixtrans-51.2133.2175-29.235.1000111.5H142 L143P140-H142 PolarHBondContact O-N 3.18Å; P140-L143 HydrophobicContact CB-CD1 4.01Å; P140-L143 HydrophobicContact CB-CG 4.18Å; P140-L143 HydrophobicContact CG-CD1 3.92Å; P140-L143 WeakPolarHBondContact O-CB 3.46Å; P140-L143 PolarHBondContact O-N 3.37Å
141L96.6Very high95.7Very high62 Ų6250.7 Ų50.733%0.32528%0.28SS..G310 helixtrans-56.4-29.6-166.5-66.2-179.7000114.6L139 L143 R150 V154 M157L139-L141 PolarHBondContact O-N 3.01Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-R150 HydrophobicContact CB-CG 4.15Å; L141-R150 HydrophobicContact CD2-CG 4Å; L141-R150 WeakPolarHBondContact O-CD 3.42Å; L141-V154 HydrophobicContact CD1-CG2 4Å; L141-V154 HydrophobicContact CD2-CG2 3.87Å; L141-M157 HydrophobicContact CD2-CE 4.04Å
142H93.9Very high95.8Very high157 Ų15749.1 Ų49.173%0.72726%0.264SS*.G310 helixtrans-80.2-10.6179.567.6-85.9000114P140P140-H142 PolarHBondContact O-N 3.18Å
143L94.3Very high95.8Very high92 Ų9248.6 Ų48.648%0.48226%0.258SS..G310 helixtrans-96.1-6.7178.7-62.4-179.2000113.1L139 P140 L141L139-L143 HydrophobicContact CD1-CB 4.12Å; L139-L143 HydrophobicContact CD1-CD1 4.43Å; L139-L143 HydrophobicContact CD2-CB 4.1Å; L139-L143 HydrophobicContact CG-CB 3.97Å; P140-L143 HydrophobicContact CB-CD1 4.01Å; P140-L143 HydrophobicContact CB-CG 4.18Å; P140-L143 HydrophobicContact CG-CD1 3.92Å; P140-L143 WeakPolarHBondContact O-CB 3.46Å; P140-L143 PolarHBondContact O-N 3.37Å; L141-L143 VanDerWaalsContact C-N 3.33Å
144H93.4Very high95.8Very high20 Ų2047.2 Ų47.29%0.09325%0.252CS..  trans-63.6130.9175.4-78.3-72.4000110.8N121 L139 D146 R150 S153N121-H144 PolarHBondContact O-CE1 3Å; N121-H144 PolarHBondContact O-ND1 2.91Å; L139-H144 HydrophobicContact CD2-CB 4.47Å; L139-H144 PolarHBondContact O-NE2 3.44Å; H144-D146 VanDerWaalsContact C-N 3.26Å; H144-D146 PolarHBondContact O-N 3.14Å; H144-R150 HydrophobicContact CB-CB 3.85Å; H144-R150 VanDerWaalsContact CD2-CA 3.44Å; H144-R150 WeakPolarHBondContact CD2-CA 3.13Å; H144-S153 PolarHBondContact CE1-OG 3.27Å; H144-S153 PolarHBondContact NE2-OG 3.07Å
145P85.8Confident95.9Very high47 Ų4745.5 Ų45.531%0.30524%0.244SC..SBendtrans-76.1-17.8-175.432.9-38.4000112.5T310P145-T310 HydrophobicContact CB-CG2 4.44Å; P145-T310 WeakPolarHBondContact CB-OG1 3.42Å; P145-T310 HydrophobicContact CG-CG2 4.08Å; P145-T310 PolarHBondContact O-OG1 3.29Å; P145-T310 VanDerWaalsContact O-OG1 3.14Å
146D88.6Confident95.9Very high15 Ų1540.7 Ų40.78%0.0821%0.211CC..SBendtrans-138.5154.5176.872.979.7000111.4H144 Y148 S149 R150 T310 K314H144-D146 VanDerWaalsContact C-N 3.26Å; H144-D146 PolarHBondContact O-N 3.14Å; D146-Y148 PolarHBondContact O-N 3.21Å; D146-Y148 WeakPolarHBondContact OD1-CA 3.43Å; D146-Y148 VanDerWaalsContact OD1-CB 3.27Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.35Å; D146-Y148 PolarHBondContact OD1-N 2.95Å; D146-Y148 VanDerWaalsContact OD1-N 3.12Å; D146-S149 PolarHBondContact OD1-N 3.43Å; D146-S149 PolarHBondContact OD1-OG 3.42Å; D146-S149 PolarHBondContact OD2-OG 2.72Å; D146-R150 PolarHBondContact O-N 3.42Å; D146-T310 HydrophobicContact CB-CG2 4.01Å; D146-T310 WeakPolarHBondContact OD2-CG2 3.49Å; D146-K314 IonicContact OD2-NZ 2.7Å; D146-K314 PolarHBondContact OD2-NZ 3.34Å
147H93Very high96Very high28 Ų2841.5 Ų41.513%0.1321%0.214CC..Hα-helixtrans-67.5-38.5-175.2-160.915000112.4R88 I91 E92 S149 R150 T151R88-H147 WeakPolarHBondContact CB-CD2 3.39Å; R88-H147 VanDerWaalsContact CG-CD2 3.5Å; R88-H147 WeakPolarHBondContact CG-CD2 3.33Å; R88-H147 PolarHBondContact NE-CD2 3.47Å; R88-H147 PolarHBondContact NE-NE2 2.86Å; I91-H147 HydrophobicContact CD1-CB 4.26Å; E92-H147 IonicContact OE1-CE1 3.95Å; E92-H147 PolarHBondContact OE1-CE1 3.16Å; E92-H147 IonicContact OE1-ND1 3.43Å; E92-H147 IonicContact OE1-NE2 2.83Å; H147-S149 PolarHBondContact O-N 2.62Å; H147-R150 WeakPolarHBondContact O-CB 3.26Å; H147-R150 PolarHBondContact O-N 2.9Å; H147-T151 WeakPolarHBondContact O-CG2 3.33Å; H147-T151 PolarHBondContact O-N 3.34Å
148Y94.4Very high96Very high16 Ų1638 Ų386%0.06319%0.193CC..Hα-helixtrans-54.5-51.7178.4159.1-91.2000111S77 Y78 G79 M80 T119 D146 R150 T151 K152S77-Y148 WeakPolarHBondContact OG-CE2 3.17Å; Y78-Y148 WeakPolarHBondContact O-CD2 3.42Å; G79-Y148 WeakPolarHBondContact O-CB 3.45Å; M80-Y148 HydrophobicContact CB-CE2 4.34Å; M80-Y148 HydrophobicContact CG-CD1 4.4Å; M80-Y148 HydrophobicContact CG-CD2 3.81Å; M80-Y148 HydrophobicContact CG-CE1 3.95Å; M80-Y148 HydrophobicContact CG-CE2 3.23Å; M80-Y148 HydrophobicContact CG-CG 4.35Å; M80-Y148 HydrophobicContact SD-CE2 4.28Å; T119-Y148 HydrophobicContact CG2-CE1 4.26Å; D146-Y148 PolarHBondContact O-N 3.21Å; D146-Y148 WeakPolarHBondContact OD1-CA 3.43Å; D146-Y148 VanDerWaalsContact OD1-CB 3.27Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.35Å; D146-Y148 PolarHBondContact OD1-N 2.95Å; D146-Y148 VanDerWaalsContact OD1-N 3.12Å; Y148-R150 VanDerWaalsContact C-N 3.29Å; Y148-R150 PolarHBondContact O-N 2.84Å; Y148-T151 PolarHBondContact O-N 3.06Å; Y148-T151 PolarHBondContact O-OG1 3.26Å; Y148-K152 HydrophobicContact CD1-CG 4.38Å; Y148-K152 HydrophobicContact CD2-CD 4.46Å; Y148-K152 HydrophobicContact CD2-CG 4.06Å; Y148-K152 HydrophobicContact CE1-CG 3.9Å; Y148-K152 HydrophobicContact CE2-CD 3.74Å; Y148-K152 HydrophobicContact CE2-CG 3.58Å; Y148-K152 HydrophobicContact CG-CG 4.44Å; Y148-K152 VanDerWaalsContact CZ-CG 3.46Å; Y148-K152 WeakPolarHBondContact O-CG 3.46Å; Y148-K152 PolarHBondContact O-N 2.75Å
149S95.5Very high96Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-57.7-42.7179.5-60.30000111.5N121 D146 H147 T151 K152 S153N121-S149 VanDerWaalsContact CB-OG 3.29Å; N121-S149 WeakPolarHBondContact CB-OG 3.38Å; D146-S149 PolarHBondContact OD1-N 3.43Å; D146-S149 PolarHBondContact OD1-OG 3.42Å; D146-S149 PolarHBondContact OD2-OG 2.72Å; H147-S149 PolarHBondContact O-N 2.62Å; S149-T151 PolarHBondContact O-N 3.17Å; S149-K152 PolarHBondContact O-N 3.15Å; S149-S153 PolarHBondContact O-N 2.93Å; S149-S153 VanDerWaalsContact O-N 3.07Å; S149-S153 PolarHBondContact O-OG 3.37Å
150R97.4Very high96.1Very high80 Ų8035.8 Ų35.830%0.30219%0.185SC..Hα-helixtrans-58.7-48173.1-174.7-174.8159.6-80.44.4112.2E92 L141 H144 D146 H147 Y148 K152 S153 V154E92-R150 IonicContact OE1-CZ 3.21Å; E92-R150 IonicContact OE1-NH1 2.72Å; E92-R150 PolarHBondContact OE1-NH1 3.17Å; L141-R150 HydrophobicContact CB-CG 4.15Å; L141-R150 HydrophobicContact CD2-CG 4Å; L141-R150 WeakPolarHBondContact O-CD 3.42Å; H144-R150 HydrophobicContact CB-CB 3.85Å; H144-R150 VanDerWaalsContact CD2-CA 3.44Å; H144-R150 WeakPolarHBondContact CD2-CA 3.13Å; D146-R150 PolarHBondContact O-N 3.42Å; H147-R150 WeakPolarHBondContact O-CB 3.26Å; H147-R150 PolarHBondContact O-N 2.9Å; Y148-R150 VanDerWaalsContact C-N 3.29Å; Y148-R150 PolarHBondContact O-N 2.84Å; R150-K152 VanDerWaalsContact C-N 3.32Å; R150-K152 PolarHBondContact O-N 2.85Å; R150-S153 WeakPolarHBondContact O-CB 3.32Å; R150-S153 PolarHBondContact O-N 2.83Å; R150-V154 WeakPolarHBondContact O-CG2 3.5Å; R150-V154 PolarHBondContact O-N 3.36Å; R150-V154 VanDerWaalsContact O-N 3.11Å
151T98.5Very high96.1Very high0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-65.3-35.6-179.266.10000112.2I91 E92 N95 V96 H147 Y148 S149 V154 A155I91-T151 HydrophobicContact CG2-CG2 3.55Å; I91-T151 WeakPolarHBondContact CG2-OG1 3.39Å; E92-T151 HydrophobicContact CG-CG2 4.07Å; E92-T151 WeakPolarHBondContact OE2-CG2 3.5Å; N95-T151 WeakPolarHBondContact CB-OG1 3.46Å; N95-T151 PolarHBondContact ND2-OG1 3.24Å; V96-T151 HydrophobicContact CG2-CG2 4.44Å; H147-T151 WeakPolarHBondContact O-CG2 3.33Å; H147-T151 PolarHBondContact O-N 3.34Å; Y148-T151 PolarHBondContact O-N 3.06Å; Y148-T151 PolarHBondContact O-OG1 3.26Å; S149-T151 PolarHBondContact O-N 3.17Å; T151-V154 PolarHBondContact O-N 3.5Å; T151-A155 VanDerWaalsContact O-CB 3.32Å; T151-A155 WeakPolarHBondContact O-CB 3.38Å; T151-A155 PolarHBondContact O-N 2.85Å
152K98.5Very high96.2Very high2 Ų239.2 Ų39.21%0.00919%0.194CC..Hα-helixtrans-65.9-36.3174-66.2-60.9-65.7-177.90112.2Y116 T117 T119 V122 Y148 S149 R150 E156Y116-K152 WeakPolarHBondContact OH-CE 3.41Å; Y116-K152 PolarHBondContact OH-NZ 3.13Å; T117-K152 WeakPolarHBondContact O-CE 3.39Å; T117-K152 PolarHBondContact O-NZ 3.46Å; T119-K152 HydrophobicContact CG2-CB 3.9Å; T119-K152 HydrophobicContact CG2-CG 4.09Å; V122-K152 HydrophobicContact CG1-CB 4.16Å; Y148-K152 HydrophobicContact CD1-CG 4.38Å; Y148-K152 HydrophobicContact CD2-CD 4.46Å; Y148-K152 HydrophobicContact CD2-CG 4.06Å; Y148-K152 HydrophobicContact CE1-CG 3.9Å; Y148-K152 HydrophobicContact CE2-CD 3.74Å; Y148-K152 HydrophobicContact CE2-CG 3.58Å; Y148-K152 HydrophobicContact CG-CG 4.44Å; Y148-K152 VanDerWaalsContact CZ-CG 3.46Å; Y148-K152 WeakPolarHBondContact O-CG 3.46Å; Y148-K152 PolarHBondContact O-N 2.75Å; S149-K152 PolarHBondContact O-N 3.15Å; R150-K152 VanDerWaalsContact C-N 3.32Å; R150-K152 PolarHBondContact O-N 2.85Å; K152-E156 VanDerWaalsContact O-CB 3.31Å; K152-E156 WeakPolarHBondContact O-CB 3.45Å; K152-E156 PolarHBondContact O-N 3.3Å
153S98.7Very high96.4Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-62.8-47.4171.7-59.50000111.5V122 H144 S149 R150 A155 E156 M157V122-S153 WeakPolarHBondContact CA-OG 3.48Å; V122-S153 WeakPolarHBondContact CB-OG 3.36Å; H144-S153 PolarHBondContact CE1-OG 3.27Å; H144-S153 PolarHBondContact NE2-OG 3.07Å; S149-S153 PolarHBondContact O-N 2.93Å; S149-S153 VanDerWaalsContact O-N 3.07Å; S149-S153 PolarHBondContact O-OG 3.37Å; R150-S153 WeakPolarHBondContact O-CB 3.32Å; R150-S153 PolarHBondContact O-N 2.83Å; S153-A155 VanDerWaalsContact C-N 3.35Å; S153-A155 PolarHBondContact O-N 3.43Å; S153-E156 PolarHBondContact O-N 3.19Å; S153-M157 WeakPolarHBondContact O-CB 3.23Å; S153-M157 WeakPolarHBondContact O-CE 3.43Å; S153-M157 VanDerWaalsContact O-CG 3.29Å; S153-M157 WeakPolarHBondContact O-CG 3.45Å; S153-M157 PolarHBondContact O-N 3.07Å
154V98.8Very high96.6Very high37 Ų3730.8 Ų30.822%0.22417%0.168CC..Hα-helixtrans-59-47.5178.4174.60000111.2V96 L141 R150 T151 M157 A158V96-V154 HydrophobicContact CG1-CG1 3.86Å; V96-V154 HydrophobicContact CG2-CB 4.04Å; V96-V154 HydrophobicContact CG2-CG1 3.88Å; L141-V154 HydrophobicContact CD1-CG2 4Å; L141-V154 HydrophobicContact CD2-CG2 3.87Å; R150-V154 WeakPolarHBondContact O-CG2 3.5Å; R150-V154 PolarHBondContact O-N 3.36Å; R150-V154 VanDerWaalsContact O-N 3.11Å; T151-V154 PolarHBondContact O-N 3.5Å; V154-M157 HydrophobicContact CG2-CE 4.38Å; V154-M157 PolarHBondContact O-N 3.34Å; V154-A158 PolarHBondContact O-N 3.27Å
155A98.8Very high96.9Very high1 Ų132.6 Ų32.61%0.00818%0.181CC..Hα-helixtrans-67.1-42.7179.500000112.7N95 T99 Y116 T151 S153 M157 A158 V159N95-A155 WeakPolarHBondContact O-CB 3.26Å; T99-A155 HydrophobicContact CG2-CB 4.11Å; Y116-A155 WeakPolarHBondContact OH-CB 3.22Å; T151-A155 VanDerWaalsContact O-CB 3.32Å; T151-A155 WeakPolarHBondContact O-CB 3.38Å; T151-A155 PolarHBondContact O-N 2.85Å; S153-A155 VanDerWaalsContact C-N 3.35Å; S153-A155 PolarHBondContact O-N 3.43Å; A155-M157 PolarHBondContact O-N 3.1Å; A155-A158 WeakPolarHBondContact O-CB 3.32Å; A155-A158 PolarHBondContact O-N 3.01Å; A155-V159 VanDerWaalsContact O-CG2 3.3Å; A155-V159 WeakPolarHBondContact O-CG2 3.17Å; A155-V159 PolarHBondContact O-N 3.31Å
156E98.9Very high97.5Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-60.9-44.6174.8-166.7-173.197.100111Y116 S118 Y138 K152 S153 A158 V159 M160 A178 R180Y116-E156 HydrophobicContact CD1-CB 4.35Å; Y116-E156 HydrophobicContact CD1-CG 4.39Å; Y116-E156 HydrophobicContact CE1-CB 4.02Å; S118-E156 WeakPolarHBondContact CB-OE2 3.23Å; S118-E156 PolarHBondContact OG-OE2 3.18Å; Y138-E156 HydrophobicContact CE1-CB 4.36Å; Y138-E156 HydrophobicContact CE1-CG 4.43Å; Y138-E156 WeakPolarHBondContact CE1-OE1 3.49Å; Y138-E156 PolarHBondContact OH-OE1 2.93Å; K152-E156 VanDerWaalsContact O-CB 3.31Å; K152-E156 WeakPolarHBondContact O-CB 3.45Å; K152-E156 PolarHBondContact O-N 3.3Å; S153-E156 PolarHBondContact O-N 3.19Å; E156-A158 VanDerWaalsContact C-N 3.29Å; E156-A158 PolarHBondContact O-N 3.38Å; E156-V159 PolarHBondContact O-N 3.11Å; E156-V159 VanDerWaalsContact O-N 3.15Å; E156-M160 HydrophobicContact CG-CG 4.39Å; E156-M160 VanDerWaalsContact O-CG 3.32Å; E156-M160 WeakPolarHBondContact O-CG 3.47Å; E156-M160 PolarHBondContact O-N 3.41Å; E156-A178 HydrophobicContact CG-CB 3.69Å; E156-R180 IonicContact OE1-CZ 3.42Å; E156-R180 VanDerWaalsContact OE1-CZ 3.31Å; E156-R180 IonicContact OE1-NE 2.6Å; E156-R180 PolarHBondContact OE1-NE 3.35Å; E156-R180 VanDerWaalsContact OE1-NE 3.1Å; E156-R180 IonicContact OE1-NH2 2.74Å; E156-R180 PolarHBondContact OE1-NH2 3.15Å; E156-R180 WeakPolarHBondContact OE2-CG 3.06Å; E156-R180 IonicContact OE2-NE 3.54Å; E156-R180 PolarHBondContact OE2-NE 3.39Å
157M98.8Very high97.9Very high68 Ų6837.5 Ų37.534%0.33520%0.199SC..Hα-helixtrans-58.6-40.5175.3-73.6-174.5-68.500111.9Y138 L141 S153 V154 A155 K161Y138-M157 HydrophobicContact CD1-CG 4.35Å; Y138-M157 HydrophobicContact CD2-CG 3.91Å; Y138-M157 HydrophobicContact CD2-SD 4.11Å; Y138-M157 HydrophobicContact CE1-CG 4.09Å; Y138-M157 HydrophobicContact CE2-CG 3.62Å; Y138-M157 HydrophobicContact CE2-SD 4.41Å; Y138-M157 HydrophobicContact CG-CG 4.27Å; Y138-M157 HydrophobicContact CG-SD 4.31Å; L141-M157 HydrophobicContact CD2-CE 4.04Å; S153-M157 WeakPolarHBondContact O-CB 3.23Å; S153-M157 WeakPolarHBondContact O-CE 3.43Å; S153-M157 VanDerWaalsContact O-CG 3.29Å; S153-M157 WeakPolarHBondContact O-CG 3.45Å; S153-M157 PolarHBondContact O-N 3.07Å; V154-M157 HydrophobicContact CG2-CE 4.38Å; V154-M157 PolarHBondContact O-N 3.34Å; A155-M157 PolarHBondContact O-N 3.1Å; M157-K161 VanDerWaalsContact O-CB 3.29Å; M157-K161 WeakPolarHBondContact O-CB 3.47Å; M157-K161 PolarHBondContact O-N 3.07Å
158A98.8Very high98.1Very high27 Ų2743.3 Ų43.322%0.22322%0.224CC..Hα-helixtrans-64.6-42.7175.400000112L103 V154 A155 E156 K161 A162L103-A158 HydrophobicContact CD1-CB 4.11Å; V154-A158 PolarHBondContact O-N 3.27Å; A155-A158 WeakPolarHBondContact O-CB 3.32Å; A155-A158 PolarHBondContact O-N 3.01Å; E156-A158 VanDerWaalsContact C-N 3.29Å; E156-A158 PolarHBondContact O-N 3.38Å; A158-K161 PolarHBondContact O-N 2.92Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.22Å
159V98.9Very high98.1Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-62.7-46.3176.1175.20000111.1T99 L103 L114 Y116 A155 E156 K161 A162 S163 A176T99-V159 HydrophobicContact CG2-CG2 3.64Å; L103-V159 HydrophobicContact CD1-CG2 4.23Å; L103-V159 HydrophobicContact CD2-CG2 4.24Å; L114-V159 HydrophobicContact CD2-CG1 4.32Å; Y116-V159 HydrophobicContact CD1-CG2 4.28Å; Y116-V159 HydrophobicContact CD2-CG2 4.08Å; Y116-V159 HydrophobicContact CG-CG2 3.91Å; A155-V159 VanDerWaalsContact O-CG2 3.3Å; A155-V159 WeakPolarHBondContact O-CG2 3.17Å; A155-V159 PolarHBondContact O-N 3.31Å; E156-V159 PolarHBondContact O-N 3.11Å; E156-V159 VanDerWaalsContact O-N 3.15Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 2.78Å; V159-A162 PolarHBondContact O-N 3.4Å; V159-S163 PolarHBondContact O-N 3.25Å; V159-S163 VanDerWaalsContact O-N 3.16Å; V159-A176 HydrophobicContact CG1-CB 3.71Å
160M98.6Very high98Very high36 Ų3649.9 Ų49.918%0.17728%0.277CS..Hα-helixtrans-61.7-42.8177.7-65-56.192.100111.3E156 A162 S163 A178E156-M160 HydrophobicContact CG-CG 4.39Å; E156-M160 VanDerWaalsContact O-CG 3.32Å; E156-M160 WeakPolarHBondContact O-CG 3.47Å; E156-M160 PolarHBondContact O-N 3.41Å; M160-A162 VanDerWaalsContact C-N 3.33Å; M160-A162 PolarHBondContact O-N 3.46Å; M160-S163 PolarHBondContact O-N 3.24Å; M160-A178 HydrophobicContact CE-CB 3.54Å; M160-A178 HydrophobicContact SD-CB 4.45Å
161K98.6Very high97.7Very high182 Ų18251 Ų5179%0.79129%0.292SS*.Hα-helixtrans-65.3-35176.6-176.9-179.8177.2-1750112.8M157 A158 V159 S163M157-K161 VanDerWaalsContact O-CB 3.29Å; M157-K161 WeakPolarHBondContact O-CB 3.47Å; M157-K161 PolarHBondContact O-N 3.07Å; A158-K161 PolarHBondContact O-N 2.92Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 2.78Å; K161-S163 VanDerWaalsContact C-N 3.35Å
162A98.4Very high97.6Very high15 Ų1552.3 Ų52.312%0.12431%0.306CS..Hα-helixtrans-76.6-21.5-178.600000113.2L103 A158 V159 M160 G164 T165 L174L103-A162 HydrophobicContact CD1-CB 4.11Å; L103-A162 HydrophobicContact CD2-CB 3.69Å; L103-A162 HydrophobicContact CG-CB 4.38Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.22Å; V159-A162 PolarHBondContact O-N 3.4Å; M160-A162 VanDerWaalsContact C-N 3.33Å; M160-A162 PolarHBondContact O-N 3.46Å; A162-G164 PolarHBondContact O-N 2.91Å; A162-T165 VanDerWaalsContact O-CB 3.23Å; A162-T165 WeakPolarHBondContact O-CB 3.32Å; A162-T165 PolarHBondContact O-N 2.8Å; A162-T165 PolarHBondContact O-OG1 2.95Å; A162-L174 HydrophobicContact CB-CD2 4.1Å
163S98.4Very high97.6Very high25 Ų2554.3 Ų54.318%0.17532%0.318CS..THydrogen-bonded Turntrans-61.3126.7172.7-167.70000110.4V159 M160 K161 L174 A176 G245V159-S163 PolarHBondContact O-N 3.25Å; V159-S163 VanDerWaalsContact O-N 3.16Å; M160-S163 PolarHBondContact O-N 3.24Å; K161-S163 VanDerWaalsContact C-N 3.35Å; S163-L174 CarbonylContact C-O 3.19Å; S163-L174 WeakPolarHBondContact CA-O 3.36Å; S163-A176 PolarHBondContact OG-N 3.07Å; S163-A176 VanDerWaalsContact OG-N 3.17Å; S163-A176 PolarHBondContact OG-O 3.3Å; S163-G245 PolarHBondContact OG-N 3.09Å; S163-G245 VanDerWaalsContact OG-N 3.14Å
164G98.1Very high97.6Very high48 Ų4854.3 Ų54.350%0.49532%0.318SS..THydrogen-bonded Turntrans96.1-4.3-172.900000114.7A162 V173 L174A162-G164 PolarHBondContact O-N 2.91Å; G164-V173 WeakPolarHBondContact O-CG1 3.24Å; G164-L174 PolarHBondContact N-O 2.93Å
165T98.5Very high97.6Very high58 Ų5855.2 Ų55.236%0.35632%0.317SS..PPolyproline II helixtrans-67.5132.7176.4-55.40000110.9V107 A162 V173 L174V107-T165 HydrophobicContact CG1-CG2 4.35Å; V107-T165 HydrophobicContact CG2-CG2 4.03Å; A162-T165 VanDerWaalsContact O-CB 3.23Å; A162-T165 WeakPolarHBondContact O-CB 3.32Å; A162-T165 PolarHBondContact O-N 2.8Å; A162-T165 PolarHBondContact O-OG1 2.95Å; T165-V173 CarbonylContact O-C 3.52Å; T165-V173 WeakPolarHBondContact O-CA 3.45Å; T165-V173 WeakPolarHBondContact O-CB 3.46Å; T165-L174 PolarHBondContact O-N 3.16Å
166E98.4Very high97.6Very high159 Ų15955.1 Ų55.174%0.74332%0.317SS*.BIsolated β-bridgetrans-61.5135.2175.2-67.3-178.1173.600111.6V107 V173V107-E166 WeakPolarHBondContact CG1-O 3.48Å; E166-V173 HydrophobicContact CG-CG1 4.46Å
167L98.1Very high97.6Very high6 Ų655.1 Ų55.13%0.03132%0.317CS..PPolyproline II helixtrans-74.4146174.9-61.3175000110.2D169 G170 G172 L174L167-D169 WeakPolarHBondContact CB-OD1 3.44Å; L167-D169 PolarHBondContact O-N 3.12Å; L167-G170 PolarHBondContact O-N 3.05Å; L167-G172 PolarHBondContact N-O 3.24Å; L167-L174 HydrophobicContact CD2-CB 4.19Å
168K96.4Very high97.6Very high150 Ų15051.9 Ų51.965%0.65230%0.301SS*.THydrogen-bonded Turntrans-63.1-26.9-175.4-173.2175.7-179.5-179.10113.6V107 E108 G170V107-K168 WeakPolarHBondContact O-CB 3.37Å; V107-K168 PolarHBondContact O-N 2.86Å; E108-K168 HydrophobicContact CB-CD 4.24Å; E108-K168 HydrophobicContact CG-CD 4.21Å; K168-G170 VanDerWaalsContact C-N 3.28Å
169D93.9Very high97.6Very high86 Ų8650.6 Ų50.646%0.4629%0.29SS..THydrogen-bonded Turntrans-82.7-2.2177.365.63.5000113.6L167 T171L167-D169 WeakPolarHBondContact CB-OD1 3.44Å; L167-D169 PolarHBondContact O-N 3.12Å; D169-T171 HydrophobicContact CB-CG2 4.18Å; D169-T171 VanDerWaalsContact CG-OG1 3.22Å; D169-T171 PolarHBondContact O-N 2.76Å; D169-T171 WeakPolarHBondContact OD1-CB 3.27Å; D169-T171 WeakPolarHBondContact OD1-CG2 3.48Å; D169-T171 PolarHBondContact OD1-N 3.42Å; D169-T171 PolarHBondContact OD1-OG1 2.8Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.23Å; D169-T171 PolarHBondContact OD2-OG1 3.19Å
170G93.9Very high97.6Very high68 Ų6851 Ų5170%0.70129%0.292SS*.SBendtrans729.8-179.900000114.7L167 K168 G172L167-G170 PolarHBondContact O-N 3.05Å; K168-G170 VanDerWaalsContact C-N 3.28Å; G170-G172 VanDerWaalsContact C-N 3.32Å; G170-G172 PolarHBondContact O-N 2.87Å
171T91.9Very high97.6Very high102 Ų10249.7 Ų49.763%0.62629%0.286SS*.SBendtrans-81.7-10.3-174.163.20000114D169D169-T171 HydrophobicContact CB-CG2 4.18Å; D169-T171 VanDerWaalsContact CG-OG1 3.22Å; D169-T171 PolarHBondContact O-N 2.76Å; D169-T171 WeakPolarHBondContact OD1-CB 3.27Å; D169-T171 WeakPolarHBondContact OD1-CG2 3.48Å; D169-T171 PolarHBondContact OD1-N 3.42Å; D169-T171 PolarHBondContact OD1-OG1 2.8Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.23Å; D169-T171 PolarHBondContact OD2-OG1 3.19Å
172G96.1Very high97.5Very high28 Ų2841.5 Ų41.529%0.28925%0.252SS..  trans161-147.417800000112.4L167 G170L167-G172 PolarHBondContact N-O 3.24Å; G170-G172 VanDerWaalsContact C-N 3.32Å; G170-G172 PolarHBondContact O-N 2.87Å
173V98.2Very high97.3Very high45 Ų4542 Ų4227%0.27326%0.259SS..BIsolated β-bridgetrans-122.8152.5179.8-60.10000111.6G164 T165 E166 R175G164-V173 WeakPolarHBondContact O-CG1 3.24Å; T165-V173 CarbonylContact O-C 3.52Å; T165-V173 WeakPolarHBondContact O-CA 3.45Å; T165-V173 WeakPolarHBondContact O-CB 3.46Å; E166-V173 HydrophobicContact CG-CG1 4.46Å; V173-R175 HydrophobicContact CG2-CG 4.16Å; V173-R175 PolarHBondContact O-N 3.21Å; V173-R175 PolarHBondContact O-NH1 3.42Å; V173-R175 VanDerWaalsContact O-NH1 3.07Å
174L98.6Very high97.2Very high0 Ų043.4 Ų43.40%026%0.264CS..  trans-65.3123.1165.5177.262.7000109.1L103 C106 V107 V111 L114 A162 S163 G164 T165 L167L103-L174 HydrophobicContact CD2-CD2 4Å; C106-L174 HydrophobicContact CB-CD1 4.02Å; V107-L174 HydrophobicContact CG2-CB 4.32Å; V107-L174 HydrophobicContact CG2-CD2 4.07Å; V111-L174 WeakPolarHBondContact O-CD1 3.47Å; L114-L174 HydrophobicContact CB-CD1 4.11Å; A162-L174 HydrophobicContact CB-CD2 4.1Å; S163-L174 CarbonylContact C-O 3.19Å; S163-L174 WeakPolarHBondContact CA-O 3.36Å; G164-L174 PolarHBondContact N-O 2.93Å; T165-L174 PolarHBondContact O-N 3.16Å; L167-L174 HydrophobicContact CD2-CB 4.19Å
175R98.6Very high97.2Very high55 Ų5541.2 Ų41.221%0.20824%0.241CC..EExtended strand (participates in β ladder)trans-110.4115.9173.9-60.5169.1175.881.9-12.6107.8S112 R113 L114 V173 L235 H241 A244S112-R175 WeakPolarHBondContact O-CB 3.36Å; S112-R175 PolarHBondContact O-N 2.95Å; R113-R175 WeakPolarHBondContact CA-O 3.47Å; L114-R175 PolarHBondContact N-O 3.42Å; V173-R175 HydrophobicContact CG2-CG 4.16Å; V173-R175 PolarHBondContact O-N 3.21Å; V173-R175 PolarHBondContact O-NH1 3.42Å; V173-R175 VanDerWaalsContact O-NH1 3.07Å; R175-L235 HydrophobicContact CB-CD2 3.95Å; R175-H241 VanDerWaalsContact CD-ND1 3.31Å; R175-H241 WeakPolarHBondContact CD-ND1 3.31Å; R175-H241 PolarHBondContact NE-CD2 3.1Å; R175-H241 VanDerWaalsContact NE-CD2 3.29Å; R175-H241 PolarHBondContact NE-CE1 3.43Å; R175-H241 PolarHBondContact NE-ND1 2.89Å; R175-H241 VanDerWaalsContact NE-ND1 3.11Å; R175-H241 PolarHBondContact NE-NE2 3.05Å; R175-H241 PolarHBondContact NH2-CE1 3.05Å; R175-H241 PolarHBondContact NH2-NE2 3.28Å; R175-A244 HydrophobicContact CB-CB 3.97Å; R175-A244 HydrophobicContact CG-CB 4.24Å
176A98.8Very high97.1Very high0 Ų038.4 Ų38.40%022%0.224CC..EExtended strand (participates in β ladder)trans-124.6147.3-177.100000111.8L114 V159 S163 G245L114-A176 HydrophobicContact CB-CB 4.05Å; L114-A176 HydrophobicContact CD2-CB 4.31Å; L114-A176 HydrophobicContact CG-CB 4.49Å; L114-A176 WeakPolarHBondContact O-CA 3.46Å; V159-A176 HydrophobicContact CG1-CB 3.71Å; S163-A176 PolarHBondContact OG-N 3.07Å; S163-A176 VanDerWaalsContact OG-N 3.17Å; S163-A176 PolarHBondContact OG-O 3.3Å; A176-G245 PolarHBondContact O-N 3.35Å
177C98.8Very high97Very high0 Ų031.9 Ų31.90%020%0.195CC..EExtended strand (participates in β ladder)trans-135.9161.3171.875.40000110.8L114 Y116 S243 Q246L114-C177 PolarHBondContact O-N 2.74Å; L114-C177 VanDerWaalsContact O-N 3.08Å; Y116-C177 PolarHBondContact N-O 3.5Å; C177-S243 WeakPolarHBondContact CB-O 3.26Å; C177-Q246 CarbonylContact C-O 3.57Å; C177-Q246 VanDerWaalsContact CA-O 3.26Å; C177-Q246 WeakPolarHBondContact CA-O 3.46Å; C177-Q246 WeakPolarHBondContact CB-O 3.4Å
178A98.9Very high96.7Very high0 Ų032.1 Ų32.10%020%0.199CC..EExtended strand (participates in β ladder)trans-124.6136178.100000111.8Y116 E156 M160 Q246 A247 Y248Y116-A178 HydrophobicContact CD1-CB 4.25Å; Y116-A178 WeakPolarHBondContact O-CA 3.46Å; E156-A178 HydrophobicContact CG-CB 3.69Å; M160-A178 HydrophobicContact CE-CB 3.54Å; M160-A178 HydrophobicContact SD-CB 4.45Å; A178-Q246 PolarHBondContact N-O 2.92Å; A178-A247 HydrophobicContact CB-CB 4.39Å; A178-A247 CarbonylContact O-C 3.57Å; A178-A247 WeakPolarHBondContact O-CA 3.38Å; A178-Y248 PolarHBondContact O-N 3.08Å
179L98.9Very high96.5Very high0 Ų025.7 Ų25.70%017%0.171CC..EExtended strand (participates in β ladder)trans-108127.4173.7-60.1-175.5000109.4I115 Y116 S118 P181 A227 H228 A231 Y248 I250 L330I115-L179 HydrophobicContact CG2-CD1 4.29Å; I115-L179 HydrophobicContact CG2-CG 4.43Å; Y116-L179 PolarHBondContact O-N 3.48Å; S118-L179 CarbonylContact C-O 3.41Å; S118-L179 VanDerWaalsContact CA-O 3.25Å; S118-L179 WeakPolarHBondContact CA-O 3.42Å; S118-L179 VanDerWaalsContact CB-O 3.3Å; S118-L179 WeakPolarHBondContact CB-O 3.45Å; S118-L179 PolarHBondContact N-O 2.86Å; L179-P181 WeakPolarHBondContact O-CD 3.46Å; L179-A227 HydrophobicContact CD1-CB 4.33Å; L179-H228 HydrophobicContact CD1-CB 4.22Å; L179-H228 WeakPolarHBondContact CD1-ND1 3.2Å; L179-A231 HydrophobicContact CD1-CB 3.95Å; L179-A231 HydrophobicContact CD2-CB 4.11Å; L179-A231 HydrophobicContact CG-CB 4.35Å; L179-Y248 HydrophobicContact CD2-CD2 3.77Å; L179-Y248 HydrophobicContact CD2-CG 4.19Å; L179-I250 HydrophobicContact CB-CG1 4.14Å; L179-I250 HydrophobicContact CD2-CD1 4.14Å; L179-I250 HydrophobicContact CD2-CG1 4.07Å; L179-I250 HydrophobicContact CG-CG1 4.49Å; L179-L330 HydrophobicContact CD2-CD1 4.23Å
180R98.8Very high96.2Very high9 Ų927 Ų273%0.03418%0.175CC..EExtended strand (participates in β ladder)trans-104.477.6179.8-64.3175.2-179170.9-2.7109V122 E156 Y248 F249 I250V122-R180 HydrophobicContact CG2-CG 4.33Å; E156-R180 IonicContact OE1-CZ 3.42Å; E156-R180 VanDerWaalsContact OE1-CZ 3.31Å; E156-R180 IonicContact OE1-NE 2.6Å; E156-R180 PolarHBondContact OE1-NE 3.35Å; E156-R180 VanDerWaalsContact OE1-NE 3.1Å; E156-R180 IonicContact OE1-NH2 2.74Å; E156-R180 PolarHBondContact OE1-NH2 3.15Å; E156-R180 WeakPolarHBondContact OE2-CG 3.06Å; E156-R180 IonicContact OE2-NE 3.54Å; E156-R180 PolarHBondContact OE2-NE 3.39Å; R180-Y248 PolarHBondContact N-O 3.25Å; R180-F249 HydrophobicContact CB-CD1 3.71Å; R180-F249 HydrophobicContact CB-CE1 3.96Å; R180-F249 HydrophobicContact CB-CG 4.44Å; R180-F249 HydrophobicContact CG-CE1 4.46Å; R180-I250 PolarHBondContact O-N 3.02Å; R180-I250 VanDerWaalsContact O-N 3.16Å
181P98.4Very high95.7Very high8 Ų827.2 Ų27.25%0.05215%0.154CC..EExtended strand (participates in β ladder)trans-66.5147-179.827.3-35.8000112.3T117 S118 F120 L179 V219 L224 I250T117-P181 HydrophobicContact CG2-CG 4.26Å; S118-P181 WeakPolarHBondContact O-CD 3.18Å; F120-P181 VanDerWaalsContact CD1-O 3.31Å; F120-P181 WeakPolarHBondContact CD1-O 3.29Å; L179-P181 WeakPolarHBondContact O-CD 3.46Å; P181-V219 HydrophobicContact CB-CG1 4.03Å; P181-L224 HydrophobicContact CB-CD1 3.71Å; P181-L224 HydrophobicContact CB-CD2 4.08Å; P181-L224 HydrophobicContact CG-CD1 4.38Å; P181-L224 HydrophobicContact CG-CD2 4.45Å; P181-I250 CarbonylContact C-O 3.47Å; P181-I250 WeakPolarHBondContact CA-O 3.18Å
182A97.1Very high95.5Very high9 Ų926.2 Ų26.27%0.07414%0.143CC..  trans-65.1-175160.800000112.1I184 E217 V219 I250A182-I184 PolarHBondContact O-N 2.71Å; A182-I184 VanDerWaalsContact O-N 3.15Å; A182-E217 HydrophobicContact CB-CB 3.94Å; A182-V219 HydrophobicContact CB-CB 4.34Å; A182-V219 HydrophobicContact CB-CG1 4.43Å; A182-I250 PolarHBondContact N-O 3.42Å
183G94.9Very high95.3Very high27 Ų2725 Ų2528%0.27813%0.13SC..EExtended strand (participates in β ladder)trans-59.8117.117700000111.8E217 F218 V219G183-E217 PolarHBondContact N-O 2.83Å; G183-F218 CarbonylContact O-C 3.54Å; G183-F218 VanDerWaalsContact O-CA 3.26Å; G183-F218 WeakPolarHBondContact O-CA 3.07Å; G183-F218 WeakPolarHBondContact O-CB 3.44Å; G183-V219 PolarHBondContact O-N 2.97Å
184I96.8Very high94.9Very high53 Ų5325.4 Ų25.427%0.27213%0.133SC..EExtended strand (participates in β ladder)trans-75.5130.3-176.8-50.9173.9000109.6Y17 A182 V219 V221 L224Y17-I184 HydrophobicContact CE1-CG2 4.13Å; A182-I184 PolarHBondContact O-N 2.71Å; A182-I184 VanDerWaalsContact O-N 3.15Å; I184-V219 WeakPolarHBondContact CA-O 3.45Å; I184-V219 HydrophobicContact CB-CG1 4.47Å; I184-V219 HydrophobicContact CG1-CG1 4.01Å; I184-V221 HydrophobicContact CG2-CB 3.97Å; I184-V221 HydrophobicContact CG2-CG2 4.4Å; I184-L224 HydrophobicContact CD1-CD2 3.44Å; I184-L224 VanDerWaalsContact CD1-CD2 3.44Å; I184-L224 HydrophobicContact CG1-CD2 3.79Å; I184-L224 HydrophobicContact CG2-CD2 4.47Å
185Y97.4Very high94.4Very high2 Ų227.5 Ų27.51%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-134.1164.6171.980.6-82.4000112F218 V219 H220 V221 D252 F261 Y337 L339Y185-F218 HydrophobicContact CD1-CB 3.78Å; Y185-F218 HydrophobicContact CE1-CB 3.99Å; Y185-V219 VanDerWaalsContact CD1-C 3.5Å; Y185-V219 VanDerWaalsContact CD1-O 3.28Å; Y185-V219 WeakPolarHBondContact CD1-O 3.31Å; Y185-V219 PolarHBondContact N-O 2.63Å; Y185-H220 HydrophobicContact CD1-CB 4.48Å; Y185-H220 AromaticContact CD2-CD2 3.87Å; Y185-H220 HydrophobicContact CE1-CB 3.83Å; Y185-H220 VanDerWaalsContact CE1-N 3.31Å; Y185-H220 HydrophobicContact CE2-CB 4.33Å; Y185-H220 AromaticContact CE2-CD2 3.57Å; Y185-H220 AromaticContact CZ-CD2 3.9Å; Y185-H220 PolarHBondContact O-CD2 3.1Å; Y185-H220 VanDerWaalsContact O-CD2 3.22Å; Y185-V221 WeakPolarHBondContact O-CG1 3.13Å; Y185-V221 PolarHBondContact O-N 3.39Å; Y185-D252 VanDerWaalsContact CE1-OD2 3.26Å; Y185-D252 WeakPolarHBondContact CE1-OD2 3.46Å; Y185-D252 PolarHBondContact OH-OD2 3.33Å; Y185-D252 VanDerWaalsContact OH-OD2 3.09Å; Y185-F261 HydrophobicContact CD1-CE1 4.47Å; Y185-F261 HydrophobicContact CD1-CE2 4.48Å; Y185-F261 AromaticContact CD1-CZ 3.65Å; Y185-F261 HydrophobicContact CD1-CZ 3.65Å; Y185-F261 AromaticContact CD2-CZ 3.95Å; Y185-F261 HydrophobicContact CD2-CZ 3.95Å; Y185-F261 HydrophobicContact CE1-CE2 4.21Å; Y185-F261 AromaticContact CE1-CZ 3.79Å; Y185-F261 HydrophobicContact CE1-CZ 3.79Å; Y185-F261 HydrophobicContact CE2-CZ 4.12Å; Y185-F261 HydrophobicContact CG-CE1 4.29Å; Y185-F261 AromaticContact CG-CZ 3.69Å; Y185-F261 HydrophobicContact CG-CZ 3.69Å; Y185-Y337 WeakPolarHBondContact OH-CB 3.45Å; Y185-Y337 PolarHBondContact OH-O 3.06Å; Y185-L339 HydrophobicContact CD2-CD2 3.63Å; Y185-L339 HydrophobicContact CE2-CD2 4.08Å; Y185-L339 HydrophobicContact CG-CD2 4.46Å
186G97.2Very high94Very high0 Ų026.4 Ų26.40%014%0.139CC..SBendtrans145178.5173.800000111.7Y17 G188 E189 H220 V342Y17-G186 WeakPolarHBondContact OH-CA 3.4Å; Y17-G186 PolarHBondContact OH-O 3.45Å; G186-G188 PolarHBondContact O-N 2.84Å; G186-E189 PolarHBondContact O-N 2.87Å; G186-H220 WeakPolarHBondContact CA-NE2 3.26Å; G186-V342 VanDerWaalsContact C-CG2 3.49Å
187P95Very high93.8Very high21 Ų2126.4 Ų26.414%0.13614%0.139CC..THydrogen-bonded Turntrans-65.8134.4-177.528.2-33.4000109Y17 E341 W345Y17-P187 WeakPolarHBondContact CE2-O 3.45Å; Y17-P187 PolarHBondContact OH-O 3.17Å; P187-E341 VanDerWaalsContact CD-CD 3.45Å; P187-E341 HydrophobicContact CG-CG 4.15Å; P187-E341 WeakPolarHBondContact CG-OE2 3.41Å; P187-W345 HydrophobicContact CB-CB 3.99Å; P187-W345 HydrophobicContact CB-CD2 4.04Å; P187-W345 HydrophobicContact CB-CE3 4.03Å; P187-W345 HydrophobicContact CB-CG 4.06Å
188G91.5Very high93.4Very high12 Ų1227.2 Ų27.212%0.12415%0.148CC..THydrogen-bonded Turntrans86.90.6-179.900000115.9Y17 G186 Q190 W345Y17-G188 VanDerWaalsContact CD2-O 3.23Å; Y17-G188 WeakPolarHBondContact CD2-O 3.39Å; Y17-G188 WeakPolarHBondContact CE2-O 3.2Å; G186-G188 PolarHBondContact O-N 2.84Å; G188-Q190 WeakPolarHBondContact O-CG 3.49Å; G188-Q190 PolarHBondContact O-N 2.63Å; G188-W345 VanDerWaalsContact CA-CZ2 3.48Å; G188-W345 VanDerWaalsContact N-CE2 3.29Å
189E93.6Very high92.9Very high14 Ų1429.3 Ų29.37%0.06516%0.156CC..  trans-57.5129172.8-163.3-70132.100109.9Y17 G186 R191 H192 L193 P194Y17-E189 HydrophobicContact CD1-CB 4.28Å; Y17-E189 HydrophobicContact CD1-CG 4.18Å; Y17-E189 HydrophobicContact CE1-CB 3.77Å; Y17-E189 HydrophobicContact CE1-CG 3.92Å; G186-E189 PolarHBondContact O-N 2.87Å; E189-R191 VanDerWaalsContact CD-N 3.32Å; E189-R191 WeakPolarHBondContact OE1-CA 3.49Å; E189-R191 VanDerWaalsContact OE1-CB 3.27Å; E189-R191 WeakPolarHBondContact OE1-CB 3.19Å; E189-R191 PolarHBondContact OE1-N 3.12Å; E189-R191 PolarHBondContact OE2-N 2.9Å; E189-H192 IonicContact OE1-CD2 3.19Å; E189-H192 PolarHBondContact OE1-N 3.02Å; E189-H192 VanDerWaalsContact OE1-N 3.16Å; E189-H192 PolarHBondContact OE2-N 3.39Å; E189-L193 HydrophobicContact CB-CD1 3.7Å; E189-L193 HydrophobicContact CB-CG 4.03Å; E189-L193 HydrophobicContact CG-CD1 4.4Å; E189-L193 HydrophobicContact CG-CG 4.3Å; E189-L193 WeakPolarHBondContact OE2-CG 3.4Å; E189-L193 PolarHBondContact OE2-N 3.42Å; E189-P194 WeakPolarHBondContact O-CD 3.28Å; E189-P194 WeakPolarHBondContact O-CG 3.41Å
190Q86.3Confident92.6Very high114 Ų11429.7 Ų29.753%0.53316%0.158SC..  trans-104.7-9.1-162.5-58.7-175.5-18.500114.1G188G188-Q190 WeakPolarHBondContact O-CG 3.49Å; G188-Q190 PolarHBondContact O-N 2.63Å
191R84.3Confident92.2Very high72 Ų7232.1 Ų32.127%0.27217%0.169SC..SBendtrans-113.3-57.5-168.2-63.3178166.4-940.6112.7M80 E84 E189 R195M80-R191 VanDerWaalsContact CE-CD 3.43Å; M80-R191 VanDerWaalsContact CE-CZ 3.47Å; E84-R191 IonicContact OE1-NH2 3.35Å; E84-R191 IonicContact OE2-CZ 3.56Å; E84-R191 IonicContact OE2-NH1 3.87Å; E84-R191 PolarHBondContact OE2-NH1 3.48Å; E84-R191 IonicContact OE2-NH2 3.12Å; E84-R191 PolarHBondContact OE2-NH2 3.39Å; E189-R191 VanDerWaalsContact CD-N 3.32Å; E189-R191 WeakPolarHBondContact OE1-CA 3.49Å; E189-R191 VanDerWaalsContact OE1-CB 3.27Å; E189-R191 WeakPolarHBondContact OE1-CB 3.19Å; E189-R191 PolarHBondContact OE1-N 3.12Å; E189-R191 PolarHBondContact OE2-N 2.9Å; R191-R195 WeakPolarHBondContact O-CD 3.28Å; R191-R195 WeakPolarHBondContact O-CG 3.5Å
192H86.4Confident91.7Very high82 Ų8238.8 Ų38.838%0.3820%0.198SC..Hα-helixtrans-89.5-49.8-171.3-63.2-71.1000112.2E189 R195 I196E189-H192 IonicContact OE1-CD2 3.19Å; E189-H192 PolarHBondContact OE1-N 3.02Å; E189-H192 VanDerWaalsContact OE1-N 3.16Å; E189-H192 PolarHBondContact OE2-N 3.39Å; H192-R195 WeakPolarHBondContact O-CB 3.26Å; H192-R195 PolarHBondContact O-N 3.23Å; H192-I196 WeakPolarHBondContact O-CG1 3.5Å; H192-I196 PolarHBondContact O-N 3.25Å
193L92.3Very high91.1Very high3 Ų339.9 Ų39.92%0.01621%0.21CC..Hα-helixtrans-62.6-43.4-176-55.9-175.9000112.2E189 R195 I196 V197 F262 L265 V342 F346E189-L193 HydrophobicContact CB-CD1 3.7Å; E189-L193 HydrophobicContact CB-CG 4.03Å; E189-L193 HydrophobicContact CG-CD1 4.4Å; E189-L193 HydrophobicContact CG-CG 4.3Å; E189-L193 WeakPolarHBondContact OE2-CG 3.4Å; E189-L193 PolarHBondContact OE2-N 3.42Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.02Å; L193-I196 PolarHBondContact O-N 2.9Å; L193-V197 WeakPolarHBondContact O-CB 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.27Å; L193-V197 PolarHBondContact O-N 3.07Å; L193-F262 HydrophobicContact CD2-CD1 4.29Å; L193-F262 HydrophobicContact CD2-CE1 3.5Å; L193-F262 VanDerWaalsContact CD2-CE1 3.5Å; L193-F262 HydrophobicContact CD2-CZ 4.32Å; L193-L265 HydrophobicContact CD2-CD2 4.43Å; L193-V342 HydrophobicContact CD1-CG1 3.61Å; L193-V342 HydrophobicContact CD1-CG2 4.29Å; L193-F346 HydrophobicContact CB-CE2 3.73Å; L193-F346 HydrophobicContact CB-CZ 3.7Å; L193-F346 HydrophobicContact CD1-CE2 4.41Å
194P91.3Very high90.6Very high53 Ų5340.7 Ų40.734%0.34421%0.207SC..Hα-helixtrans-62.5-34.2177.1-24.736.7000113.3E189 G198 F346E189-P194 WeakPolarHBondContact O-CD 3.28Å; E189-P194 WeakPolarHBondContact O-CG 3.41Å; P194-G198 PolarHBondContact O-N 2.75Å; P194-F346 HydrophobicContact CG-CE1 4.4Å; P194-F346 HydrophobicContact CG-CZ 4.2Å
195R87.8Confident90.2Very high43 Ų4340.4 Ų40.416%0.16220%0.204CC..Hα-helixtrans-66.1-46.9174.5-73.4175.663.3-164.2-2.6111.1R191 H192 L193 G198 Y199 L306 E311R191-R195 WeakPolarHBondContact O-CD 3.28Å; R191-R195 WeakPolarHBondContact O-CG 3.5Å; H192-R195 WeakPolarHBondContact O-CB 3.26Å; H192-R195 PolarHBondContact O-N 3.23Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.02Å; R195-G198 PolarHBondContact O-N 3.39Å; R195-Y199 HydrophobicContact CB-CE2 4.47Å; R195-Y199 WeakPolarHBondContact O-CD2 3.37Å; R195-Y199 VanDerWaalsContact O-CG 3.3Å; R195-Y199 PolarHBondContact O-N 3.05Å; R195-L306 PolarHBondContact NH2-O 3.29Å; R195-E311 IonicContact CZ-OE1 3.79Å; R195-E311 IonicContact NH1-OE1 3.06Å; R195-E311 PolarHBondContact NH1-OE1 3.26Å; R195-E311 IonicContact NH2-OE1 2.86Å; R195-E311 PolarHBondContact NH2-OE1 3.48Å; R195-E311 IonicContact NH2-OE2 2.67Å; R195-E311 PolarHBondContact NH2-OE2 3.15Å
196I90Very high89.6Confident32 Ų3245.2 Ų45.216%0.16422%0.222CC..Hα-helixtrans-60.2-49.9178.1-67.2166.8000110H192 L193 G198 Y199 I200 F262 L265H192-I196 WeakPolarHBondContact O-CG1 3.5Å; H192-I196 PolarHBondContact O-N 3.25Å; L193-I196 PolarHBondContact O-N 2.9Å; I196-G198 VanDerWaalsContact C-N 3.31Å; I196-G198 PolarHBondContact O-N 3.3Å; I196-Y199 PolarHBondContact O-N 3.25Å; I196-Y199 VanDerWaalsContact O-N 3.09Å; I196-I200 HydrophobicContact CG2-CD1 3.8Å; I196-I200 HydrophobicContact CG2-CG1 4.48Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.06Å; I196-I200 PolarHBondContact O-N 2.88Å; I196-F262 HydrophobicContact CD1-CD1 4.24Å; I196-F262 HydrophobicContact CD1-CD2 4.27Å; I196-F262 HydrophobicContact CD1-CE1 3.89Å; I196-F262 HydrophobicContact CD1-CE2 3.92Å; I196-F262 HydrophobicContact CD1-CG 4.43Å; I196-F262 HydrophobicContact CD1-CZ 3.72Å; I196-L265 HydrophobicContact CG2-CD2 4.39Å
197V93.4Very high89.4Confident0 Ų047.8 Ų47.80%023%0.233CC..Hα-helixtrans-57.6-44.9175.7172.90000110.8L193 Y199 I200 E201 L265 L269 F346 H351L193-V197 WeakPolarHBondContact O-CB 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.27Å; L193-V197 PolarHBondContact O-N 3.07Å; V197-Y199 VanDerWaalsContact C-N 3.32Å; V197-Y199 PolarHBondContact O-N 3.34Å; V197-I200 WeakPolarHBondContact O-CB 3.49Å; V197-I200 PolarHBondContact O-N 2.96Å; V197-E201 HydrophobicContact CG1-CG 4.18Å; V197-E201 WeakPolarHBondContact O-CG 3.41Å; V197-E201 PolarHBondContact O-N 3.4Å; V197-L265 HydrophobicContact CG2-CD1 4.36Å; V197-L265 HydrophobicContact CG2-CD2 4.18Å; V197-L269 HydrophobicContact CG1-CD1 4.11Å; V197-L269 HydrophobicContact CG2-CD1 3.88Å; V197-F346 HydrophobicContact CB-CD1 4.35Å; V197-F346 HydrophobicContact CB-CE1 4.17Å; V197-F346 HydrophobicContact CB-CZ 4.49Å; V197-F346 HydrophobicContact CG1-CD1 4.13Å; V197-F346 HydrophobicContact CG1-CE1 4.38Å; V197-F346 HydrophobicContact CG2-CD1 3.95Å; V197-F346 HydrophobicContact CG2-CD2 3.92Å; V197-F346 HydrophobicContact CG2-CE1 3.85Å; V197-F346 HydrophobicContact CG2-CE2 3.84Å; V197-F346 HydrophobicContact CG2-CG 4Å; V197-F346 HydrophobicContact CG2-CZ 3.81Å; V197-H351 HydrophobicContact CG1-CB 4.17Å
198G90.9Very high89.3Confident18 Ų1847 Ų4719%0.18623%0.228CC..Hα-helixtrans-58.7-38.9174.900000113.7P194 R195 I196 K202P194-G198 PolarHBondContact O-N 2.75Å; R195-G198 PolarHBondContact O-N 3.39Å; I196-G198 VanDerWaalsContact C-N 3.31Å; I196-G198 PolarHBondContact O-N 3.3Å; G198-K202 VanDerWaalsContact O-CB 3.29Å; G198-K202 WeakPolarHBondContact O-CB 3.46Å; G198-K202 WeakPolarHBondContact O-CD 3.27Å; G198-K202 WeakPolarHBondContact O-CG 3.47Å; G198-K202 PolarHBondContact O-N 3.46Å
199Y89.1Confident89.5Confident44 Ų4446.8 Ų46.817%0.17322%0.224CC..Hα-helixtrans-70.3-36.6175.7-62.4-29.2000112.9R195 I196 V197 G203 I204 F205 L306R195-Y199 HydrophobicContact CB-CE2 4.47Å; R195-Y199 WeakPolarHBondContact O-CD2 3.37Å; R195-Y199 VanDerWaalsContact O-CG 3.3Å; R195-Y199 PolarHBondContact O-N 3.05Å; I196-Y199 PolarHBondContact O-N 3.25Å; I196-Y199 VanDerWaalsContact O-N 3.09Å; V197-Y199 VanDerWaalsContact C-N 3.32Å; V197-Y199 PolarHBondContact O-N 3.34Å; Y199-G203 PolarHBondContact O-N 3.22Å; Y199-I204 HydrophobicContact CD1-CD1 4.46Å; Y199-I204 PolarHBondContact O-N 2.98Å; Y199-F205 PolarHBondContact O-N 2.87Å; Y199-F205 VanDerWaalsContact O-N 3.1Å; Y199-L306 HydrophobicContact CD1-CD2 4.05Å; Y199-L306 HydrophobicContact CE1-CD2 3.42Å; Y199-L306 VanDerWaalsContact CE1-CD2 3.42Å; Y199-L306 PolarHBondContact OH-O 3.03Å
200I91.3Very high89.5Confident7 Ų746.7 Ų46.74%0.03623%0.226CC..Hα-helixtrans-63.2-51.6174.1-66.2161.6000109.7I196 V197 K202 G203 F205 V266 Y271I196-I200 HydrophobicContact CG2-CD1 3.8Å; I196-I200 HydrophobicContact CG2-CG1 4.48Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.06Å; I196-I200 PolarHBondContact O-N 2.88Å; V197-I200 WeakPolarHBondContact O-CB 3.49Å; V197-I200 PolarHBondContact O-N 2.96Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 3.45Å; I200-G203 PolarHBondContact O-N 3.32Å; I200-F205 HydrophobicContact CG1-CB 4.06Å; I200-F205 HydrophobicContact CG1-CD1 4.01Å; I200-F205 HydrophobicContact CG1-CG 4.15Å; I200-V266 HydrophobicContact CD1-CB 4.37Å; I200-V266 HydrophobicContact CD1-CG2 3.61Å; I200-V266 HydrophobicContact CG1-CG2 4.17Å; I200-Y271 HydrophobicContact CG2-CD1 3.83Å; I200-Y271 HydrophobicContact CG2-CD2 3.35Å; I200-Y271 HydrophobicContact CG2-CE1 4.28Å; I200-Y271 HydrophobicContact CG2-CE2 3.86Å; I200-Y271 HydrophobicContact CG2-CG 3.35Å
201E90.3Very high89.8Confident60 Ų6044.4 Ų44.428%0.2822%0.218SC..Hα-helixtrans-65.6-35.3-176.4-68.7-175146.100112.7V197 G203 Y271 H351 G352V197-E201 HydrophobicContact CG1-CG 4.18Å; V197-E201 WeakPolarHBondContact O-CG 3.41Å; V197-E201 PolarHBondContact O-N 3.4Å; E201-G203 PolarHBondContact O-N 3.36Å; E201-Y271 HydrophobicContact CG-CE2 4.28Å; E201-H351 WeakPolarHBondContact OE1-CA 3.47Å; E201-H351 VanDerWaalsContact OE1-CB 3.26Å; E201-H351 WeakPolarHBondContact OE1-CB 3.48Å; E201-H351 IonicContact OE1-CG 2.81Å; E201-H351 IonicContact OE1-ND1 2.86Å; E201-H351 PolarHBondContact OE1-ND1 3.14Å; E201-H351 VanDerWaalsContact OE1-ND1 3.12Å; E201-H351 IonicContact OE2-CE1 3.21Å; E201-H351 IonicContact OE2-ND1 3.83Å; E201-H351 PolarHBondContact OE2-ND1 3.11Å; E201-G352 PolarHBondContact OE1-N 3.21Å
202K88.1Confident90.3Very high149 Ų14944.8 Ų44.865%0.64823%0.23SC*.THydrogen-bonded Turntrans-76.5-6.4174.6-69.5173-176.5177.80113.6G198 I200 I204G198-K202 VanDerWaalsContact O-CB 3.29Å; G198-K202 WeakPolarHBondContact O-CB 3.46Å; G198-K202 WeakPolarHBondContact O-CD 3.27Å; G198-K202 WeakPolarHBondContact O-CG 3.47Å; G198-K202 PolarHBondContact O-N 3.46Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 3.45Å; K202-I204 HydrophobicContact CB-CD1 3.78Å; K202-I204 HydrophobicContact CB-CG1 3.89Å; K202-I204 HydrophobicContact CD-CD1 4.01Å; K202-I204 PolarHBondContact O-N 3.1Å
203G84.9Confident90.7Very high32 Ų3250 Ų5033%0.3325%0.246SC..THydrogen-bonded Turntrans68.322-176.600000113.9Y199 I200 E201 R206Y199-G203 PolarHBondContact O-N 3.22Å; I200-G203 PolarHBondContact O-N 3.32Å; E201-G203 PolarHBondContact O-N 3.36Å; G203-R206 VanDerWaalsContact O-CD 3.32Å; G203-R206 WeakPolarHBondContact O-CD 3.36Å; G203-R206 WeakPolarHBondContact O-CG 3.15Å
204I85.1Confident90.9Very high44 Ų4450 Ų5023%0.22625%0.246CC..  trans-84.6-30.1176.8-60.9170.2000110.2Y199 K202 R206 L306 L365Y199-I204 HydrophobicContact CD1-CD1 4.46Å; Y199-I204 PolarHBondContact O-N 2.98Å; K202-I204 HydrophobicContact CB-CD1 3.78Å; K202-I204 HydrophobicContact CB-CG1 3.89Å; K202-I204 HydrophobicContact CD-CD1 4.01Å; K202-I204 PolarHBondContact O-N 3.1Å; I204-R206 VanDerWaalsContact C-N 3.29Å; I204-R206 PolarHBondContact O-N 2.84Å; I204-L306 HydrophobicContact CG2-CD1 4.13Å; I204-L306 HydrophobicContact CG2-CD2 4.2Å; I204-L365 HydrophobicContact CG1-CD2 4.27Å
205F87.2Confident91.2Very high46 Ų4650.2 Ų50.220%0.20224%0.244CC..  trans-71.381.1175.1-169.1-110.8000111Y199 I200 F259 V266 F273 P274Y199-F205 PolarHBondContact O-N 2.87Å; Y199-F205 VanDerWaalsContact O-N 3.1Å; I200-F205 HydrophobicContact CG1-CB 4.06Å; I200-F205 HydrophobicContact CG1-CD1 4.01Å; I200-F205 HydrophobicContact CG1-CG 4.15Å; F205-F259 HydrophobicContact CE2-CD1 4.33Å; F205-F259 HydrophobicContact CZ-CD1 4.32Å; F205-V266 HydrophobicContact CD1-CG2 4.21Å; F205-V266 HydrophobicContact CE1-CG2 3.75Å; F205-F273 HydrophobicContact CE1-CE2 4.37Å; F205-P274 HydrophobicContact CD1-CG 3.58Å; F205-P274 HydrophobicContact CE1-CG 3.52Å; F205-P274 HydrophobicContact CG-CG 4.32Å; F205-P274 HydrophobicContact CZ-CG 4.2Å; F205-P274 WeakPolarHBondContact O-CG 3.28Å
206R86.5Confident91.7Very high103 Ų10348.2 Ų48.239%0.38924%0.237SC..  trans-115.1-8.3-172.2-63.3-179.175.4133.4-10.1114.8G203 I204 D366G203-R206 VanDerWaalsContact O-CD 3.32Å; G203-R206 WeakPolarHBondContact O-CD 3.36Å; G203-R206 WeakPolarHBondContact O-CG 3.15Å; I204-R206 VanDerWaalsContact C-N 3.29Å; I204-R206 PolarHBondContact O-N 2.84Å; R206-D366 IonicContact CZ-OD1 3.11Å; R206-D366 IonicContact NH1-OD1 2.65Å; R206-D366 PolarHBondContact NH1-OD1 3.39Å; R206-D366 IonicContact NH2-OD1 2.77Å; R206-D366 PolarHBondContact NH2-OD1 2.94Å
207F91.4Very high92Very high54 Ų5447.3 Ų47.324%0.23723%0.232CC..EExtended strand (participates in β ladder)trans-147.6157-179.359-93.6000110.4Y209 L276 L278 I283F207-Y209 HydrophobicContact CD2-CD1 4.22Å; F207-Y209 HydrophobicContact CE2-CD1 4.02Å; F207-L276 CarbonylContact C-O 3.38Å; F207-L276 VanDerWaalsContact CA-O 3.25Å; F207-L276 WeakPolarHBondContact CA-O 3.28Å; F207-L276 HydrophobicContact CB-CB 4.22Å; F207-L276 HydrophobicContact CB-CD2 4.21Å; F207-L276 HydrophobicContact CB-CG 4.16Å; F207-L276 WeakPolarHBondContact CB-O 3.36Å; F207-L278 HydrophobicContact CB-CD1 4.18Å; F207-L278 HydrophobicContact CB-CG 4.24Å; F207-L278 HydrophobicContact CD1-CD1 4.06Å; F207-L278 HydrophobicContact CD2-CD1 3.72Å; F207-L278 HydrophobicContact CD2-CG 4.23Å; F207-L278 HydrophobicContact CE1-CD1 4.39Å; F207-L278 HydrophobicContact CE2-CD1 4.07Å; F207-L278 HydrophobicContact CG-CD1 3.71Å; F207-L278 HydrophobicContact CG-CG 4.26Å; F207-L278 HydrophobicContact CZ-CD1 4.39Å; F207-I283 HydrophobicContact CD2-CD1 4.25Å; F207-I283 HydrophobicContact CE2-CD1 3.55Å; F207-I283 HydrophobicContact CE2-CG1 4.34Å; F207-I283 HydrophobicContact CZ-CD1 4.08Å
208V94.4Very high92.2Very high5 Ų548.4 Ų48.43%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-107.3171.7162.7-600000108.5F259 F273 P274 L276 R277 L278V208-F259 HydrophobicContact CB-CB 4.12Å; V208-F259 HydrophobicContact CB-CD1 3.88Å; V208-F259 HydrophobicContact CB-CD2 3.94Å; V208-F259 HydrophobicContact CB-CE1 4.29Å; V208-F259 HydrophobicContact CB-CE2 4.36Å; V208-F259 HydrophobicContact CB-CG 3.69Å; V208-F259 HydrophobicContact CG1-CB 3.62Å; V208-F259 HydrophobicContact CG1-CD1 3.63Å; V208-F259 HydrophobicContact CG1-CD2 4.34Å; V208-F259 HydrophobicContact CG1-CE1 4.41Å; V208-F259 HydrophobicContact CG1-CG 3.59Å; V208-F273 HydrophobicContact CG1-CE1 3.99Å; V208-F273 HydrophobicContact CG1-CZ 4.05Å; V208-P274 HydrophobicContact CG1-CB 4.37Å; V208-L276 PolarHBondContact N-O 3.37Å; V208-R277 HydrophobicContact CG2-CB 3.87Å; V208-R277 HydrophobicContact CG2-CG 4.02Å; V208-R277 CarbonylContact O-C 3.57Å; V208-R277 VanDerWaalsContact O-CA 3.27Å; V208-R277 WeakPolarHBondContact O-CA 3.4Å; V208-L278 PolarHBondContact O-N 3.27Å
209Y94.2Very high92.5Very high8 Ų847.5 Ų47.53%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-148.5169.5179.655.7-98.8000113.5F207 F259 R277 L278 L280 I283 L307 V312 T315F207-Y209 HydrophobicContact CD2-CD1 4.22Å; F207-Y209 HydrophobicContact CE2-CD1 4.02Å; Y209-F259 HydrophobicContact CD1-CE1 4.1Å; Y209-F259 HydrophobicContact CD1-CE2 4.41Å; Y209-F259 AromaticContact CD1-CZ 3.51Å; Y209-F259 HydrophobicContact CD1-CZ 3.51Å; Y209-F259 HydrophobicContact CD2-CE2 4.22Å; Y209-F259 AromaticContact CD2-CZ 3.91Å; Y209-F259 HydrophobicContact CD2-CZ 3.91Å; Y209-F259 AromaticContact CE1-CE1 3.92Å; Y209-F259 HydrophobicContact CE1-CE1 3.92Å; Y209-F259 AromaticContact CE1-CZ 3.44Å; Y209-F259 HydrophobicContact CE1-CZ 3.44Å; Y209-F259 VanDerWaalsContact CE1-CZ 3.44Å; Y209-F259 HydrophobicContact CE2-CE2 4.38Å; Y209-F259 AromaticContact CE2-CZ 3.83Å; Y209-F259 HydrophobicContact CE2-CZ 3.83Å; Y209-F259 HydrophobicContact CG-CE2 4.25Å; Y209-F259 AromaticContact CG-CZ 3.77Å; Y209-F259 HydrophobicContact CG-CZ 3.77Å; Y209-F259 AromaticContact CZ-CZ 3.63Å; Y209-F259 WeakPolarHBondContact O-CE2 3.35Å; Y209-R277 PolarHBondContact O-NH1 2.96Å; Y209-L278 WeakPolarHBondContact CA-O 3.3Å; Y209-L278 VanDerWaalsContact CB-O 3.27Å; Y209-L278 WeakPolarHBondContact CB-O 3.32Å; Y209-L280 HydrophobicContact CD2-CD1 3.85Å; Y209-L280 HydrophobicContact CE2-CD1 4.16Å; Y209-I283 HydrophobicContact CD1-CG1 3.98Å; Y209-I283 HydrophobicContact CD1-CG2 4.11Å; Y209-I283 HydrophobicContact CD2-CB 4.49Å; Y209-I283 HydrophobicContact CD2-CG1 4.43Å; Y209-I283 HydrophobicContact CD2-CG2 4.44Å; Y209-I283 HydrophobicContact CE1-CG2 4.05Å; Y209-I283 HydrophobicContact CE2-CG2 4.4Å; Y209-I283 HydrophobicContact CG-CB 4.29Å; Y209-I283 HydrophobicContact CG-CG1 3.78Å; Y209-I283 HydrophobicContact CG-CG2 4.28Å; Y209-L307 HydrophobicContact CE1-CD1 3.64Å; Y209-V312 HydrophobicContact CE2-CG1 4.11Å; Y209-T315 PolarHBondContact OH-OG1 3.36Å
210G93.6Very high93Very high11 Ų1145.4 Ų45.411%0.11322%0.219CC..SBendtrans77.2-173.7-178.900000113.9R277 L278G210-R277 WeakPolarHBondContact O-CD 3.44Å; G210-R277 PolarHBondContact O-NH1 3.48Å; G210-L278 PolarHBondContact N-O 3.43Å; G210-L278 VanDerWaalsContact N-O 3.09Å
211D93.4Very high93.3Very high66 Ų6645.1 Ų45.135%0.35322%0.218SC..  trans-68.2131.6178.8-168.8-37.9000109.9R213 S214 N257 R277D211-R213 PolarHBondContact O-N 2.86Å; D211-R213 VanDerWaalsContact OD1-CB 3.27Å; D211-R213 WeakPolarHBondContact OD1-CB 3.44Å; D211-R213 PolarHBondContact OD1-N 3.19Å; D211-R213 IonicContact OD1-NE 3.07Å; D211-R213 PolarHBondContact OD1-NE 3.46Å; D211-R213 IonicContact OD1-NH2 3.17Å; D211-R213 IonicContact OD2-CZ 2.69Å; D211-R213 IonicContact OD2-NE 3.1Å; D211-R213 PolarHBondContact OD2-NE 3.03Å; D211-R213 IonicContact OD2-NH2 3.31Å; D211-R213 PolarHBondContact OD2-NH2 3.32Å; D211-S214 WeakPolarHBondContact O-CB 3.36Å; D211-S214 PolarHBondContact O-N 3.4Å; D211-S214 VanDerWaalsContact O-N 3.07Å; D211-S214 PolarHBondContact O-OG 2.95Å; D211-N257 PolarHBondContact O-ND2 2.84Å; D211-R277 PolarHBondContact O-NH1 3.2Å
212P94.2Very high93.7Very high81 Ų8144.4 Ų44.453%0.52622%0.216SC..THydrogen-bonded Turntrans-61.8-19.7174.425.5-35.4000114.1N257P212-N257 PolarHBondContact O-ND2 3.07Å
213R96.1Very high94.2Very high192 Ų19237.4 Ų37.473%0.72519%0.186SC*.THydrogen-bonded Turntrans-90-1.2175.9-56.1170.8-64.5170.36.1112.7D211 L215D211-R213 PolarHBondContact O-N 2.86Å; D211-R213 VanDerWaalsContact OD1-CB 3.27Å; D211-R213 WeakPolarHBondContact OD1-CB 3.44Å; D211-R213 PolarHBondContact OD1-N 3.19Å; D211-R213 IonicContact OD1-NE 3.07Å; D211-R213 PolarHBondContact OD1-NE 3.46Å; D211-R213 IonicContact OD1-NH2 3.17Å; D211-R213 IonicContact OD2-CZ 2.69Å; D211-R213 IonicContact OD2-NE 3.1Å; D211-R213 PolarHBondContact OD2-NE 3.03Å; D211-R213 IonicContact OD2-NH2 3.31Å; D211-R213 PolarHBondContact OD2-NH2 3.32Å; R213-L215 WeakPolarHBondContact O-CG 3.48Å; R213-L215 PolarHBondContact O-N 3.25Å
214S96.1Very high94.9Very high3 Ų335.9 Ų35.92%0.02117%0.17CC..  trans-64.6133.4176.169.30000109.9D211 N257 T318D211-S214 WeakPolarHBondContact O-CB 3.36Å; D211-S214 PolarHBondContact O-N 3.4Å; D211-S214 VanDerWaalsContact O-N 3.07Å; D211-S214 PolarHBondContact O-OG 2.95Å; S214-N257 VanDerWaalsContact O-CA 3.23Å; S214-N257 WeakPolarHBondContact O-CA 3.42Å; S214-N257 WeakPolarHBondContact O-CB 3.32Å; S214-N257 PolarHBondContact O-ND2 2.79Å; S214-N257 PolarHBondContact OG-ND2 3.11Å; S214-N257 VanDerWaalsContact OG-ND2 3.17Å; S214-T318 WeakPolarHBondContact CA-OG1 3.32Å
215L97.9Very high95.5Very high56 Ų5634 Ų3429%0.29316%0.16SC..  trans-118.2134.8-176.7-57.4177.7000110.5R213 P255 T318 H319 Y320R213-L215 WeakPolarHBondContact O-CG 3.48Å; R213-L215 PolarHBondContact O-N 3.25Å; L215-P255 HydrophobicContact CB-CB 4Å; L215-P255 HydrophobicContact CD1-CB 4.16Å; L215-T318 HydrophobicContact CB-CG2 4.27Å; L215-T318 PolarHBondContact N-OG1 2.67Å; L215-T318 CarbonylContact O-C 3.5Å; L215-T318 VanDerWaalsContact O-CA 3.24Å; L215-T318 WeakPolarHBondContact O-CA 3.46Å; L215-H319 PolarHBondContact O-N 3.04Å; L215-Y320 HydrophobicContact CB-CD1 4.37Å
216V97.2Very high96.1Very high2 Ų234 Ų341%0.01217%0.167CC..BIsolated β-bridgetrans-128.7169.3172.4-520000108.9F218 P255 V256 N258 H319V216-F218 HydrophobicContact CG2-CD2 4.31Å; V216-F218 HydrophobicContact CG2-CE2 3.48Å; V216-F218 VanDerWaalsContact CG2-CE2 3.48Å; V216-F218 HydrophobicContact CG2-CZ 3.84Å; V216-P255 WeakPolarHBondContact O-CA 3.45Å; V216-V256 PolarHBondContact N-O 3.35Å; V216-V256 PolarHBondContact O-N 3.45Å; V216-N258 HydrophobicContact CG1-CB 4.46Å; V216-N258 HydrophobicContact CG2-CB 3.8Å; V216-H319 WeakPolarHBondContact CA-O 3.4Å; V216-H319 WeakPolarHBondContact CG1-CE1 3.39Å
217E96.1Very high96.6Very high12 Ų1229.1 Ų29.16%0.05615%0.148CC..  trans-119.2154.2175.9-72.6-176.311100112.7A182 G183 S251 P255 Y320 F321A182-E217 HydrophobicContact CB-CB 3.94Å; G183-E217 PolarHBondContact N-O 2.83Å; E217-S251 WeakPolarHBondContact OE1-CB 3.46Å; E217-S251 PolarHBondContact OE1-OG 3.39Å; E217-P255 HydrophobicContact CG-CB 4.24Å; E217-P255 HydrophobicContact CG-CG 4.01Å; E217-Y320 VanDerWaalsContact OE2-CA 3.31Å; E217-Y320 WeakPolarHBondContact OE2-CA 3.34Å; E217-Y320 WeakPolarHBondContact OE2-CB 3.45Å; E217-F321 PolarHBondContact OE2-N 2.93Å
218F97.7Very high97Very high23 Ų2326.6 Ų26.610%0.10114%0.137CC..EExtended strand (participates in β ladder)trans-128.8159173.9-63.4-86.1000109.3G183 Y185 V216 D252 V256 F261 F262G183-F218 CarbonylContact O-C 3.54Å; G183-F218 VanDerWaalsContact O-CA 3.26Å; G183-F218 WeakPolarHBondContact O-CA 3.07Å; G183-F218 WeakPolarHBondContact O-CB 3.44Å; Y185-F218 HydrophobicContact CD1-CB 3.78Å; Y185-F218 HydrophobicContact CE1-CB 3.99Å; V216-F218 HydrophobicContact CG2-CD2 4.31Å; V216-F218 HydrophobicContact CG2-CE2 3.48Å; V216-F218 VanDerWaalsContact CG2-CE2 3.48Å; V216-F218 HydrophobicContact CG2-CZ 3.84Å; F218-D252 PolarHBondContact O-N 2.91Å; F218-V256 HydrophobicContact CD2-CG1 4.1Å; F218-V256 HydrophobicContact CE2-CG1 4.21Å; F218-F261 HydrophobicContact CB-CE1 4.28Å; F218-F261 HydrophobicContact CB-CE2 4.02Å; F218-F261 HydrophobicContact CB-CZ 3.82Å; F218-F261 HydrophobicContact CD1-CD1 4.02Å; F218-F261 AromaticContact CD1-CE1 3.68Å; F218-F261 HydrophobicContact CD1-CE1 3.68Å; F218-F261 HydrophobicContact CD1-CZ 4.11Å; F218-F261 HydrophobicContact CD2-CB 4.15Å; F218-F261 AromaticContact CD2-CD1 3.62Å; F218-F261 HydrophobicContact CD2-CD1 3.62Å; F218-F261 AromaticContact CD2-CD2 3.61Å; F218-F261 HydrophobicContact CD2-CD2 3.61Å; F218-F261 AromaticContact CD2-CE1 3.84Å; F218-F261 HydrophobicContact CD2-CE1 3.84Å; F218-F261 AromaticContact CD2-CE2 3.83Å; F218-F261 HydrophobicContact CD2-CE2 3.83Å; F218-F261 AromaticContact CD2-CG 3.5Å; F218-F261 HydrophobicContact CD2-CG 3.5Å; F218-F261 VanDerWaalsContact CD2-CG 3.5Å; F218-F261 AromaticContact CD2-CZ 3.94Å; F218-F261 HydrophobicContact CD2-CZ 3.94Å; F218-F261 AromaticContact CE1-CD1 3.84Å; F218-F261 HydrophobicContact CE1-CD1 3.84Å; F218-F261 AromaticContact CE1-CE1 3.9Å; F218-F261 HydrophobicContact CE1-CE1 3.9Å; F218-F261 HydrophobicContact CE2-CB 3.61Å; F218-F261 AromaticContact CE2-CD1 3.41Å; F218-F261 HydrophobicContact CE2-CD1 3.41Å; F218-F261 VanDerWaalsContact CE2-CD1 3.41Å; F218-F261 AromaticContact CE2-CD2 3.98Å; F218-F261 HydrophobicContact CE2-CD2 3.98Å; F218-F261 HydrophobicContact CE2-CE1 4.04Å; F218-F261 AromaticContact CE2-CG 3.38Å; F218-F261 HydrophobicContact CE2-CG 3.38Å; F218-F261 AromaticContact CG-CD1 3.92Å; F218-F261 HydrophobicContact CG-CD1 3.92Å; F218-F261 HydrophobicContact CG-CD2 4.22Å; F218-F261 AromaticContact CG-CE1 3.65Å; F218-F261 HydrophobicContact CG-CE1 3.65Å; F218-F261 AromaticContact CG-CE2 3.97Å; F218-F261 HydrophobicContact CG-CE2 3.97Å; F218-F261 HydrophobicContact CG-CG 4.19Å; F218-F261 AromaticContact CG-CZ 3.68Å; F218-F261 HydrophobicContact CG-CZ 3.68Å; F218-F261 HydrophobicContact CZ-CB 4.26Å; F218-F261 AromaticContact CZ-CD1 3.53Å; F218-F261 HydrophobicContact CZ-CD1 3.53Å; F218-F261 HydrophobicContact CZ-CE1 4.08Å; F218-F261 AromaticContact CZ-CG 3.99Å; F218-F261 HydrophobicContact CZ-CG 3.99Å; F218-F262 HydrophobicContact CE1-CE2 4.15Å; F218-F262 AromaticContact CE1-CZ 3.93Å; F218-F262 HydrophobicContact CE1-CZ 3.93Å; F218-F262 AromaticContact CZ-CE2 3.98Å; F218-F262 HydrophobicContact CZ-CE2 3.98Å; F218-F262 HydrophobicContact CZ-CZ 4.19Å
219V98.4Very high97.2Very high0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-129.1127172.564.50000109P181 A182 G183 I184 Y185 N223 L224 I250 D252P181-V219 HydrophobicContact CB-CG1 4.03Å; A182-V219 HydrophobicContact CB-CB 4.34Å; A182-V219 HydrophobicContact CB-CG1 4.43Å; G183-V219 PolarHBondContact O-N 2.97Å; I184-V219 WeakPolarHBondContact CA-O 3.45Å; I184-V219 HydrophobicContact CB-CG1 4.47Å; I184-V219 HydrophobicContact CG1-CG1 4.01Å; Y185-V219 VanDerWaalsContact CD1-C 3.5Å; Y185-V219 VanDerWaalsContact CD1-O 3.28Å; Y185-V219 WeakPolarHBondContact CD1-O 3.31Å; Y185-V219 PolarHBondContact N-O 2.63Å; V219-N223 HydrophobicContact CG2-CB 4.11Å; V219-L224 HydrophobicContact CG1-CB 4.44Å; V219-L224 HydrophobicContact CG1-CD2 4.46Å; V219-L224 HydrophobicContact CG2-CB 4.04Å; V219-I250 HydrophobicContact CG2-CG2 4.09Å; V219-D252 WeakPolarHBondContact CA-OD1 3.34Å
220H98.6Very high97.4Very high0 Ų028.6 Ų28.60%015%0.147CC..EExtended strand (participates in β ladder)trans-67.3140.5171.8-171-114.6000109.9Y185 G186 D222 N223 L224 D252 Y337 E341Y185-H220 HydrophobicContact CD1-CB 4.48Å; Y185-H220 AromaticContact CD2-CD2 3.87Å; Y185-H220 HydrophobicContact CE1-CB 3.83Å; Y185-H220 VanDerWaalsContact CE1-N 3.31Å; Y185-H220 HydrophobicContact CE2-CB 4.33Å; Y185-H220 AromaticContact CE2-CD2 3.57Å; Y185-H220 AromaticContact CZ-CD2 3.9Å; Y185-H220 PolarHBondContact O-CD2 3.1Å; Y185-H220 VanDerWaalsContact O-CD2 3.22Å; G186-H220 WeakPolarHBondContact CA-NE2 3.26Å; H220-D222 IonicContact CE1-OD2 3.8Å; H220-D222 PolarHBondContact CE1-OD2 2.82Å; H220-D222 PolarHBondContact ND1-N 3.31Å; H220-D222 IonicContact ND1-OD2 3.89Å; H220-D222 PolarHBondContact O-N 3.17Å; H220-N223 HydrophobicContact CB-CB 4.35Å; H220-N223 WeakPolarHBondContact O-CA 3.29Å; H220-N223 WeakPolarHBondContact O-CB 3.42Å; H220-N223 PolarHBondContact O-N 3.37Å; H220-L224 PolarHBondContact O-N 3.25Å; H220-D252 PolarHBondContact N-OD1 3.48Å; H220-D252 PolarHBondContact N-OD2 3.43Å; H220-Y337 HydrophobicContact CB-CD2 3.47Å; H220-Y337 VanDerWaalsContact CB-CD2 3.47Å; H220-Y337 HydrophobicContact CB-CE2 4.16Å; H220-Y337 HydrophobicContact CB-CG 3.76Å; H220-Y337 AromaticContact CE1-CD1 3.51Å; H220-Y337 AromaticContact CE1-CE1 3.63Å; H220-Y337 AromaticContact CE1-CG 3.92Å; H220-Y337 AromaticContact CG-CD1 3.83Å; H220-Y337 AromaticContact CG-CD2 3.51Å; H220-Y337 AromaticContact CG-CG 3.39Å; H220-Y337 AromaticContact ND1-CD1 3.26Å; H220-Y337 VanDerWaalsContact ND1-CD1 3.26Å; H220-Y337 WeakPolarHBondContact ND1-CD1 3.26Å; H220-Y337 AromaticContact ND1-CD2 3.32Å; H220-Y337 VanDerWaalsContact ND1-CD2 3.32Å; H220-Y337 WeakPolarHBondContact ND1-CD2 3.5Å; H220-Y337 AromaticContact ND1-CE1 3.39Å; H220-Y337 WeakPolarHBondContact ND1-CE1 3.31Å; H220-Y337 AromaticContact ND1-CE2 3.41Å; H220-Y337 WeakPolarHBondContact ND1-CE2 3.46Å; H220-Y337 AromaticContact ND1-CG 3.24Å; H220-Y337 AromaticContact ND1-CZ 3.49Å; H220-E341 IonicContact CD2-OE1 3.66Å; H220-E341 IonicContact CE1-OE1 3.33Å; H220-E341 PolarHBondContact CE1-OE1 3.24Å; H220-E341 IonicContact NE2-OE1 3.01Å; H220-E341 PolarHBondContact NE2-OE1 3.5Å
221V98.3Very high97.6Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-60.2-30-176.555.10000113.1Y17 F18 R21 I184 Y185 L224 V225Y17-V221 HydrophobicContact CE1-CB 3.97Å; Y17-V221 HydrophobicContact CE1-CG1 4.25Å; Y17-V221 HydrophobicContact CE1-CG2 3.87Å; Y17-V221 WeakPolarHBondContact OH-CG1 3.34Å; F18-V221 HydrophobicContact CD2-CG2 4.1Å; R21-V221 HydrophobicContact CB-CG2 4.32Å; R21-V221 HydrophobicContact CG-CG2 4.35Å; I184-V221 HydrophobicContact CG2-CB 3.97Å; I184-V221 HydrophobicContact CG2-CG2 4.4Å; Y185-V221 WeakPolarHBondContact O-CG1 3.13Å; Y185-V221 PolarHBondContact O-N 3.39Å; V221-L224 PolarHBondContact O-N 2.99Å; V221-V225 WeakPolarHBondContact O-CG2 3.2Å; V221-V225 PolarHBondContact O-N 3.45Å
222D98.3Very high97.9Very high46 Ų4625.1 Ų25.125%0.24613%0.127CC..Hα-helixtrans-69.4-41.9172.5-77-42.9000112.1R21 H220 L224 V225 S226 Y337R21-D222 IonicContact CZ-OD1 2.91Å; R21-D222 IonicContact CZ-OD2 3.9Å; R21-D222 VanDerWaalsContact NH1-N 3.13Å; R21-D222 IonicContact NH1-OD1 3.43Å; R21-D222 PolarHBondContact NH1-OD1 3.5Å; R21-D222 IonicContact NH1-OD2 3.28Å; R21-D222 PolarHBondContact NH1-OD2 3.03Å; R21-D222 IonicContact NH2-OD1 3.04Å; R21-D222 PolarHBondContact NH2-OD1 2.93Å; R21-D222 VanDerWaalsContact NH2-OD1 3.16Å; R21-D222 IonicContact NH2-OD2 2.74Å; R21-D222 PolarHBondContact NH2-OD2 3.47Å; H220-D222 IonicContact CE1-OD2 3.8Å; H220-D222 PolarHBondContact CE1-OD2 2.82Å; H220-D222 PolarHBondContact ND1-N 3.31Å; H220-D222 IonicContact ND1-OD2 3.89Å; H220-D222 PolarHBondContact O-N 3.17Å; D222-L224 PolarHBondContact O-N 3.17Å; D222-V225 WeakPolarHBondContact O-CB 3.41Å; D222-V225 PolarHBondContact O-N 2.89Å; D222-V225 VanDerWaalsContact O-N 3.14Å; D222-S226 PolarHBondContact O-N 3.47Å; D222-S226 PolarHBondContact O-OG 3.35Å; D222-Y337 HydrophobicContact CB-CE1 4.36Å; D222-Y337 HydrophobicContact CB-CE2 4.11Å; D222-Y337 VanDerWaalsContact CB-OH 3.22Å; D222-Y337 WeakPolarHBondContact CB-OH 3.37Å
223N98.7Very high98Very high2 Ų224.8 Ų24.81%0.01112%0.118CC..Hα-helixtrans-61-37.4174.3-80-20.5000111.1V219 H220 S226 A227 D252 Y332 P334 Q335 Y337V219-N223 HydrophobicContact CG2-CB 4.11Å; H220-N223 HydrophobicContact CB-CB 4.35Å; H220-N223 WeakPolarHBondContact O-CA 3.29Å; H220-N223 WeakPolarHBondContact O-CB 3.42Å; H220-N223 PolarHBondContact O-N 3.37Å; N223-S226 PolarHBondContact O-N 3.12Å; N223-A227 WeakPolarHBondContact O-CB 3.39Å; N223-A227 PolarHBondContact O-N 3.43Å; N223-D252 PolarHBondContact ND2-OD1 3.2Å; N223-Y332 WeakPolarHBondContact O-CE2 3.04Å; N223-P334 HydrophobicContact CB-CB 4.48Å; N223-P334 WeakPolarHBondContact ND2-CB 3.42Å; N223-Q335 PolarHBondContact ND2-O 3.34Å; N223-Q335 PolarHBondContact OD1-N 3.37Å; N223-Y337 WeakPolarHBondContact ND2-CD2 3.47Å; N223-Y337 WeakPolarHBondContact OD1-CE2 3.39Å
224L98.8Very high98.1Very high0 Ų015.9 Ų15.90%09%0.086CC..Hα-helixtrans-68.4-37.4175.4-173.158.3000112.6F18 P181 I184 V219 H220 V221 D222 A227 H228 I250F18-L224 HydrophobicContact CD1-CD2 4.15Å; F18-L224 HydrophobicContact CD2-CD2 3.87Å; F18-L224 HydrophobicContact CD2-CG 4.12Å; F18-L224 HydrophobicContact CE1-CD2 4.14Å; F18-L224 HydrophobicContact CE1-CG 4.31Å; F18-L224 HydrophobicContact CE2-CB 4.11Å; F18-L224 HydrophobicContact CE2-CD2 3.87Å; F18-L224 HydrophobicContact CE2-CG 3.62Å; F18-L224 HydrophobicContact CG-CD2 4.06Å; F18-L224 HydrophobicContact CZ-CD2 4.04Å; F18-L224 HydrophobicContact CZ-CG 3.77Å; P181-L224 HydrophobicContact CB-CD1 3.71Å; P181-L224 HydrophobicContact CB-CD2 4.08Å; P181-L224 HydrophobicContact CG-CD1 4.38Å; P181-L224 HydrophobicContact CG-CD2 4.45Å; I184-L224 HydrophobicContact CD1-CD2 3.44Å; I184-L224 VanDerWaalsContact CD1-CD2 3.44Å; I184-L224 HydrophobicContact CG1-CD2 3.79Å; I184-L224 HydrophobicContact CG2-CD2 4.47Å; V219-L224 HydrophobicContact CG1-CB 4.44Å; V219-L224 HydrophobicContact CG1-CD2 4.46Å; V219-L224 HydrophobicContact CG2-CB 4.04Å; H220-L224 PolarHBondContact O-N 3.25Å; V221-L224 PolarHBondContact O-N 2.99Å; D222-L224 PolarHBondContact O-N 3.17Å; L224-A227 PolarHBondContact O-N 3.01Å; L224-H228 VanDerWaalsContact CD1-CE1 3.49Å; L224-H228 WeakPolarHBondContact CD1-CE1 3.34Å; L224-H228 PolarHBondContact O-N 3.03Å; L224-H228 VanDerWaalsContact O-N 3.11Å; L224-H228 PolarHBondContact O-ND1 2.68Å; L224-I250 HydrophobicContact CD1-CB 4.48Å; L224-I250 HydrophobicContact CD1-CG2 3.99Å
225V98.8Very high98.2Very high3 Ų315.8 Ų15.82%0.0189%0.085CC..Hα-helixtrans-59.6-52172.1164.40000109.8F18 R21 L22 S25 V221 D222 A227 H228 E229F18-V225 HydrophobicContact CD2-CG2 4.22Å; F18-V225 HydrophobicContact CE2-CG2 3.78Å; R21-V225 HydrophobicContact CB-CG2 4.33Å; L22-V225 HydrophobicContact CB-CG2 4.16Å; L22-V225 HydrophobicContact CD1-CB 4.49Å; L22-V225 HydrophobicContact CD1-CG1 3.91Å; S25-V225 VanDerWaalsContact CB-CG1 3.49Å; V221-V225 WeakPolarHBondContact O-CG2 3.2Å; V221-V225 PolarHBondContact O-N 3.45Å; D222-V225 WeakPolarHBondContact O-CB 3.41Å; D222-V225 PolarHBondContact O-N 2.89Å; D222-V225 VanDerWaalsContact O-N 3.14Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.47Å; V225-H228 PolarHBondContact O-N 2.77Å; V225-H228 VanDerWaalsContact O-N 3.09Å; V225-E229 HydrophobicContact CG1-CG 4.48Å; V225-E229 WeakPolarHBondContact O-CG 3.45Å; V225-E229 PolarHBondContact O-N 2.93Å
226S98.6Very high98.1Very high48 Ų4815.7 Ų15.734%0.3368%0.083SC..Hα-helixtrans-58.2-41.5177.9-59.90000112.2D222 N223 H228 E229 L230D222-S226 PolarHBondContact O-N 3.47Å; D222-S226 PolarHBondContact O-OG 3.35Å; N223-S226 PolarHBondContact O-N 3.12Å; S226-H228 VanDerWaalsContact C-N 3.33Å; S226-H228 PolarHBondContact O-N 2.89Å; S226-E229 PolarHBondContact O-N 3.15Å; S226-L230 WeakPolarHBondContact O-CB 3.3Å; S226-L230 VanDerWaalsContact O-CG 3.26Å; S226-L230 WeakPolarHBondContact O-CG 3.17Å; S226-L230 PolarHBondContact O-N 3.47Å
227A98.8Very high97.9Very high0 Ų019.7 Ų19.70%011%0.112CC..Hα-helixtrans-59.9-40.3175.600000113.1L179 N223 L224 V225 A231 I250 Y332L179-A227 HydrophobicContact CD1-CB 4.33Å; N223-A227 WeakPolarHBondContact O-CB 3.39Å; N223-A227 PolarHBondContact O-N 3.43Å; L224-A227 PolarHBondContact O-N 3.01Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.47Å; A227-A231 VanDerWaalsContact O-CB 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.33Å; A227-A231 PolarHBondContact O-N 3.21Å; A227-I250 HydrophobicContact CB-CD1 3.94Å; A227-I250 HydrophobicContact CB-CG1 4.14Å; A227-I250 HydrophobicContact CB-CG2 3.59Å; A227-Y332 HydrophobicContact CB-CD2 3.9Å; A227-Y332 HydrophobicContact CB-CE2 3.75Å
228H98.9Very high97.8Very high0 Ų026.9 Ų26.90%015%0.145CC..Hα-helixtrans-70-39.2177.5-7869.2000112.2F18 L22 F73 T117 L179 L224 V225 S226 A231 A232F18-H228 AromaticContact CE1-CE1 3.55Å; F18-H228 AromaticContact CE1-ND1 3.97Å; F18-H228 AromaticContact CE1-NE2 3.57Å; F18-H228 HydrophobicContact CZ-CB 4.38Å; F18-H228 AromaticContact CZ-CD2 3.84Å; F18-H228 AromaticContact CZ-CE1 3.39Å; F18-H228 WeakPolarHBondContact CZ-CE1 3.5Å; F18-H228 AromaticContact CZ-CG 3.61Å; F18-H228 AromaticContact CZ-ND1 3.33Å; F18-H228 VanDerWaalsContact CZ-ND1 3.33Å; F18-H228 WeakPolarHBondContact CZ-ND1 3.48Å; F18-H228 AromaticContact CZ-NE2 3.72Å; L22-H228 HydrophobicContact CD1-CB 4.19Å; L22-H228 HydrophobicContact CD2-CB 4.17Å; F73-H228 HydrophobicContact CD1-CB 4.32Å; F73-H228 HydrophobicContact CE1-CB 4.03Å; F73-H228 WeakPolarHBondContact CE1-O 3.22Å; T117-H228 PolarHBondContact OG1-NE2 2.89Å; L179-H228 HydrophobicContact CD1-CB 4.22Å; L179-H228 WeakPolarHBondContact CD1-ND1 3.2Å; L224-H228 VanDerWaalsContact CD1-CE1 3.49Å; L224-H228 WeakPolarHBondContact CD1-CE1 3.34Å; L224-H228 PolarHBondContact O-N 3.03Å; L224-H228 VanDerWaalsContact O-N 3.11Å; L224-H228 PolarHBondContact O-ND1 2.68Å; V225-H228 PolarHBondContact O-N 2.77Å; V225-H228 VanDerWaalsContact O-N 3.09Å; S226-H228 VanDerWaalsContact C-N 3.33Å; S226-H228 PolarHBondContact O-N 2.89Å; H228-A231 PolarHBondContact O-N 3.37Å; H228-A232 WeakPolarHBondContact O-CB 3.38Å; H228-A232 PolarHBondContact O-N 3.48Å
229E98.6Very high97.7Very high12 Ų1229.5 Ų29.56%0.05616%0.158CC..Hα-helixtrans-62.2-48.7174.7-66.5176.9158.800110.9L22 S25 L26 K29 V225 S226 A231 A232 E233L22-E229 HydrophobicContact CD1-CG 3.93Å; S25-E229 WeakPolarHBondContact CB-OE1 3.27Å; S25-E229 PolarHBondContact OG-OE1 2.93Å; L26-E229 HydrophobicContact CD2-CG 3.91Å; K29-E229 VanDerWaalsContact CE-OE2 3.31Å; K29-E229 WeakPolarHBondContact CE-OE2 3.26Å; K29-E229 VanDerWaalsContact NZ-CD 3.29Å; K29-E229 IonicContact NZ-OE1 3.83Å; K29-E229 IonicContact NZ-OE2 2.94Å; K29-E229 PolarHBondContact NZ-OE2 2.87Å; V225-E229 HydrophobicContact CG1-CG 4.48Å; V225-E229 WeakPolarHBondContact O-CG 3.45Å; V225-E229 PolarHBondContact O-N 2.93Å; S226-E229 PolarHBondContact O-N 3.15Å; E229-A231 VanDerWaalsContact C-N 3.32Å; E229-A231 PolarHBondContact O-N 2.91Å; E229-A232 WeakPolarHBondContact O-CB 3.44Å; E229-A232 PolarHBondContact O-N 3.08Å; E229-A232 VanDerWaalsContact O-N 3.13Å; E229-E233 WeakPolarHBondContact O-CG 3.33Å; E229-E233 PolarHBondContact O-N 3.16Å
230L98.7Very high97.6Very high44 Ų4437 Ų3723%0.2319%0.193CC..Hα-helixtrans-61.3-39.7176.5-69.2170.5000112.1S226 A232 E233 A234 L330 Y332S226-L230 WeakPolarHBondContact O-CB 3.3Å; S226-L230 VanDerWaalsContact O-CG 3.26Å; S226-L230 WeakPolarHBondContact O-CG 3.17Å; S226-L230 PolarHBondContact O-N 3.47Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.4Å; L230-E233 PolarHBondContact O-N 3.1Å; L230-A234 VanDerWaalsContact O-CB 3.29Å; L230-A234 WeakPolarHBondContact O-CB 3.3Å; L230-A234 PolarHBondContact O-N 3.08Å; L230-L330 HydrophobicContact CB-CB 4.21Å; L230-Y332 HydrophobicContact CD1-CD2 4.19Å
231A98.7Very high97.5Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-63.1-39.2175.600000112.3I115 L179 A227 H228 E229 A234 L235 S243 L330I115-A231 HydrophobicContact CG1-CB 4.48Å; I115-A231 HydrophobicContact CG2-CB 4.42Å; L179-A231 HydrophobicContact CD1-CB 3.95Å; L179-A231 HydrophobicContact CD2-CB 4.11Å; L179-A231 HydrophobicContact CG-CB 4.35Å; A227-A231 VanDerWaalsContact O-CB 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.33Å; A227-A231 PolarHBondContact O-N 3.21Å; H228-A231 PolarHBondContact O-N 3.37Å; E229-A231 VanDerWaalsContact C-N 3.32Å; E229-A231 PolarHBondContact O-N 2.91Å; A231-A234 PolarHBondContact O-N 2.74Å; A231-L235 WeakPolarHBondContact O-CG 3.2Å; A231-L235 PolarHBondContact O-N 3.18Å; A231-S243 PolarHBondContact O-OG 3.06Å; A231-L330 HydrophobicContact CB-CD1 4.25Å
232A98.1Very high97.4Very high4 Ų445.3 Ų45.33%0.03323%0.226CC..Hα-helixtrans-70.5-36176.900000113.1F73 R113 I115 H228 E229 L230 L235F73-A232 HydrophobicContact CE1-CB 3.89Å; F73-A232 HydrophobicContact CZ-CB 3.55Å; R113-A232 PolarHBondContact NH1-O 3.2Å; R113-A232 VanDerWaalsContact NH1-O 3.09Å; I115-A232 HydrophobicContact CD1-CB 3.65Å; I115-A232 HydrophobicContact CG1-CB 4.1Å; H228-A232 WeakPolarHBondContact O-CB 3.38Å; H228-A232 PolarHBondContact O-N 3.48Å; E229-A232 WeakPolarHBondContact O-CB 3.44Å; E229-A232 PolarHBondContact O-N 3.08Å; E229-A232 VanDerWaalsContact O-N 3.13Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.4Å; A232-L235 PolarHBondContact O-N 2.9Å
233E97.4Very high97.4Very high74 Ų7443.1 Ų43.135%0.34622%0.215SC..Hα-helixtrans-65.5-44.4171.8-73172.3-167.800110.9E229 L230 L235 M236 H239E229-E233 WeakPolarHBondContact O-CG 3.33Å; E229-E233 PolarHBondContact O-N 3.16Å; L230-E233 PolarHBondContact O-N 3.1Å; E233-L235 PolarHBondContact O-N 3.22Å; E233-L235 VanDerWaalsContact O-N 3.12Å; E233-M236 HydrophobicContact CB-CE 4.04Å; E233-M236 HydrophobicContact CG-CE 4.1Å; E233-M236 VanDerWaalsContact O-CB 3.22Å; E233-M236 WeakPolarHBondContact O-CB 3.42Å; E233-M236 VanDerWaalsContact O-CG 3.3Å; E233-M236 WeakPolarHBondContact O-CG 3.41Å; E233-M236 PolarHBondContact O-N 3.44Å; E233-H239 PolarHBondContact O-CD2 2.89Å
234A98.1Very high97.4Very high5 Ų544.4 Ų44.44%0.04123%0.225CC..Hα-helixtrans-63-18.7177.300000113.9L230 A231 M236 H241 R242 S243 L330L230-A234 VanDerWaalsContact O-CB 3.29Å; L230-A234 WeakPolarHBondContact O-CB 3.3Å; L230-A234 PolarHBondContact O-N 3.08Å; A231-A234 PolarHBondContact O-N 2.74Å; A234-M236 VanDerWaalsContact C-N 3.33Å; A234-H241 CarbonylContact O-C 3.59Å; A234-H241 VanDerWaalsContact O-CA 3.24Å; A234-H241 WeakPolarHBondContact O-CA 3.43Å; A234-R242 PolarHBondContact O-N 3.21Å; A234-S243 VanDerWaalsContact C-OG 3.25Å; A234-S243 WeakPolarHBondContact CB-OG 3.37Å; A234-L330 HydrophobicContact CB-CD2 3.63Å
235L97.4Very high97.4Very high1 Ų146 Ų461%0.00524%0.241CC..THydrogen-bonded Turntrans-80.1-11.5171.6-71.5178.8000113.4R113 I115 R175 A231 A232 E233 H241 S243 A244R113-L235 HydrophobicContact CB-CD1 4.08Å; R113-L235 HydrophobicContact CG-CB 4.06Å; R113-L235 HydrophobicContact CG-CD1 4.39Å; I115-L235 HydrophobicContact CD1-CD1 3.81Å; I115-L235 HydrophobicContact CG1-CD1 4.09Å; R175-L235 HydrophobicContact CB-CD2 3.95Å; A231-L235 WeakPolarHBondContact O-CG 3.2Å; A231-L235 PolarHBondContact O-N 3.18Å; A232-L235 PolarHBondContact O-N 2.9Å; E233-L235 PolarHBondContact O-N 3.22Å; E233-L235 VanDerWaalsContact O-N 3.12Å; L235-H241 PolarHBondContact O-ND1 2.72Å; L235-S243 WeakPolarHBondContact CD2-OG 3.35Å; L235-S243 VanDerWaalsContact CG-OG 3.23Å; L235-S243 WeakPolarHBondContact CG-OG 3.41Å; L235-S243 PolarHBondContact N-OG 3.23Å; L235-A244 HydrophobicContact CD2-CB 4.07Å
236M95.9Very high97.3Very high53 Ų5348.8 Ų48.826%0.26125%0.254SS..SBendtrans-72.9155.3178.8-57.1-171.4-53.900111.4E233 A234 E238 H239 Q240 H241E233-M236 HydrophobicContact CB-CE 4.04Å; E233-M236 HydrophobicContact CG-CE 4.1Å; E233-M236 VanDerWaalsContact O-CB 3.22Å; E233-M236 WeakPolarHBondContact O-CB 3.42Å; E233-M236 VanDerWaalsContact O-CG 3.3Å; E233-M236 WeakPolarHBondContact O-CG 3.41Å; E233-M236 PolarHBondContact O-N 3.44Å; A234-M236 VanDerWaalsContact C-N 3.33Å; M236-E238 VanDerWaalsContact C-N 3.27Å; M236-E238 PolarHBondContact O-N 3.17Å; M236-H239 CarbonylContact O-C 3.58Å; M236-H239 PolarHBondContact O-N 2.93Å; M236-H239 VanDerWaalsContact O-N 3.12Å; M236-Q240 PolarHBondContact O-N 3.17Å; M236-H241 PolarHBondContact O-N 2.81Å; M236-H241 VanDerWaalsContact O-N 3.1Å
237S93.9Very high97.3Very high87 Ų8747 Ų4761%0.60824%0.242SC*.G310 helixtrans-61.7-34.8178.547.50000112.7H239 Q240 H241S237-H239 PolarHBondContact O-N 3.01Å; S237-Q240 WeakPolarHBondContact O-CA 2.98Å; S237-Q240 PolarHBondContact O-N 3.2Å; S237-H241 VanDerWaalsContact CA-CE1 3.41Å; S237-H241 WeakPolarHBondContact CA-CE1 3.23Å; S237-H241 PolarHBondContact N-CE1 3.48Å
238E94.1Very high97.3Very high163 Ų16347 Ų4776%0.76224%0.242SC*.G310 helixtrans-58.2-31175.1-63.9176.6-174.900112.4M236M236-E238 VanDerWaalsContact C-N 3.27Å; M236-E238 PolarHBondContact O-N 3.17Å
239H94.4Very high97.3Very high78 Ų7847.1 Ų47.136%0.36124%0.243SC..G310 helixtrans-99.518.3175.7-64.8-81.7000112.8E233 M236 S237 H241 R242E233-H239 PolarHBondContact O-CD2 2.89Å; M236-H239 CarbonylContact O-C 3.58Å; M236-H239 PolarHBondContact O-N 2.93Å; M236-H239 VanDerWaalsContact O-N 3.12Å; S237-H239 PolarHBondContact O-N 3.01Å; H239-H241 PolarHBondContact O-N 3.06Å; H239-H241 VanDerWaalsContact O-N 3.07Å; H239-R242 WeakPolarHBondContact O-CB 3.32Å; H239-R242 PolarHBondContact O-N 3.17Å; H239-R242 VanDerWaalsContact O-N 3.14Å
240Q95.9Very high97.4Very high157 Ų15746.6 Ų46.673%0.73424%0.241SC*.THydrogen-bonded Turntrans56.125.5177.8-57.4174.9-15.500113.8M236 S237 R242M236-Q240 PolarHBondContact O-N 3.17Å; S237-Q240 WeakPolarHBondContact O-CA 2.98Å; S237-Q240 PolarHBondContact O-N 3.2Å; Q240-R242 PolarHBondContact O-N 2.88Å
241H96.8Very high97.3Very high53 Ų5344.7 Ų44.725%0.24523%0.231CC..THydrogen-bonded Turntrans54.632.7-176.9-45-60000113.4R175 A234 L235 M236 S237 H239 S243 A244R175-H241 VanDerWaalsContact CD-ND1 3.31Å; R175-H241 WeakPolarHBondContact CD-ND1 3.31Å; R175-H241 PolarHBondContact NE-CD2 3.1Å; R175-H241 VanDerWaalsContact NE-CD2 3.29Å; R175-H241 PolarHBondContact NE-CE1 3.43Å; R175-H241 PolarHBondContact NE-ND1 2.89Å; R175-H241 VanDerWaalsContact NE-ND1 3.11Å; R175-H241 PolarHBondContact NE-NE2 3.05Å; R175-H241 PolarHBondContact NH2-CE1 3.05Å; R175-H241 PolarHBondContact NH2-NE2 3.28Å; A234-H241 CarbonylContact O-C 3.59Å; A234-H241 VanDerWaalsContact O-CA 3.24Å; A234-H241 WeakPolarHBondContact O-CA 3.43Å; L235-H241 PolarHBondContact O-ND1 2.72Å; M236-H241 PolarHBondContact O-N 2.81Å; M236-H241 VanDerWaalsContact O-N 3.1Å; S237-H241 VanDerWaalsContact CA-CE1 3.41Å; S237-H241 WeakPolarHBondContact CA-CE1 3.23Å; S237-H241 PolarHBondContact N-CE1 3.48Å; H239-H241 PolarHBondContact O-N 3.06Å; H239-H241 VanDerWaalsContact O-N 3.07Å; H241-S243 PolarHBondContact O-N 2.86Å; H241-A244 HydrophobicContact CB-CB 4.17Å; H241-A244 WeakPolarHBondContact O-CB 3.48Å; H241-A244 PolarHBondContact O-N 2.81Å
242R97.1Very high97.3Very high122 Ų12245.3 Ų45.346%0.4623%0.234SC..THydrogen-bonded Turntrans-53.2-32.6-170-168.7179.6-67.4176.6-4.8113.8A234 H239 Q240 A328 E329A234-R242 PolarHBondContact O-N 3.21Å; H239-R242 WeakPolarHBondContact O-CB 3.32Å; H239-R242 PolarHBondContact O-N 3.17Å; H239-R242 VanDerWaalsContact O-N 3.14Å; Q240-R242 PolarHBondContact O-N 2.88Å; R242-A328 PolarHBondContact NH1-O 3.14Å; R242-E329 VanDerWaalsContact CD-O 3.27Å; R242-E329 WeakPolarHBondContact CD-O 3.42Å; R242-E329 HydrophobicContact CG-CB 4.04Å; R242-E329 HydrophobicContact CG-CG 4.19Å
243S97.6Very high97.2Very high0 Ų046.9 Ų46.90%025%0.251CS..THydrogen-bonded Turntrans-84.6-4.7178.856.60000115.4C177 A231 A234 L235 H241 G245 Q246 Y248C177-S243 WeakPolarHBondContact CB-O 3.26Å; A231-S243 PolarHBondContact O-OG 3.06Å; A234-S243 VanDerWaalsContact C-OG 3.25Å; A234-S243 WeakPolarHBondContact CB-OG 3.37Å; L235-S243 WeakPolarHBondContact CD2-OG 3.35Å; L235-S243 VanDerWaalsContact CG-OG 3.23Å; L235-S243 WeakPolarHBondContact CG-OG 3.41Å; L235-S243 PolarHBondContact N-OG 3.23Å; H241-S243 PolarHBondContact O-N 2.86Å; S243-G245 PolarHBondContact O-N 2.9Å; S243-Q246 WeakPolarHBondContact O-CB 3.47Å; S243-Q246 PolarHBondContact O-N 3.26Å; S243-Q246 VanDerWaalsContact O-N 3.11Å; S243-Y248 VanDerWaalsContact CA-OH 3.27Å; S243-Y248 WeakPolarHBondContact CA-OH 3.46Å
244A98.3Very high97.1Very high28 Ų2848.2 Ų48.223%0.23125%0.252CS..THydrogen-bonded Turntrans-64.4129.1-179.100000111.7R175 L235 H241 Q246R175-A244 HydrophobicContact CB-CB 3.97Å; R175-A244 HydrophobicContact CG-CB 4.24Å; L235-A244 HydrophobicContact CD2-CB 4.07Å; H241-A244 HydrophobicContact CB-CB 4.17Å; H241-A244 WeakPolarHBondContact O-CB 3.48Å; H241-A244 PolarHBondContact O-N 2.81Å; A244-Q246 PolarHBondContact O-N 3.3Å; A244-Q246 PolarHBondContact O-NE2 3.06Å
245G98.3Very high97Very high33 Ų3350.3 Ų50.334%0.3427%0.266SS..THydrogen-bonded Turntrans70.412.9-17700000114.2S163 A176 S243S163-G245 PolarHBondContact OG-N 3.09Å; S163-G245 VanDerWaalsContact OG-N 3.14Å; A176-G245 PolarHBondContact O-N 3.35Å; S243-G245 PolarHBondContact O-N 2.9Å
246Q98.6Very high97Very high62 Ų6252.3 Ų52.329%0.2928%0.278SS..  trans-106.9146.2-177-54.9-51.6-48.300112.4C177 A178 S243 A244 Y248C177-Q246 CarbonylContact C-O 3.57Å; C177-Q246 VanDerWaalsContact CA-O 3.26Å; C177-Q246 WeakPolarHBondContact CA-O 3.46Å; C177-Q246 WeakPolarHBondContact CB-O 3.4Å; A178-Q246 PolarHBondContact N-O 2.92Å; S243-Q246 WeakPolarHBondContact O-CB 3.47Å; S243-Q246 PolarHBondContact O-N 3.26Å; S243-Q246 VanDerWaalsContact O-N 3.11Å; A244-Q246 PolarHBondContact O-N 3.3Å; A244-Q246 PolarHBondContact O-NE2 3.06Å; Q246-Y248 HydrophobicContact CB-CD2 4.46Å; Q246-Y248 HydrophobicContact CB-CE1 4.38Å; Q246-Y248 HydrophobicContact CB-CE2 3.55Å; Q246-Y248 VanDerWaalsContact CB-OH 3.28Å; Q246-Y248 WeakPolarHBondContact CB-OH 3.18Å; Q246-Y248 WeakPolarHBondContact CG-OH 3.2Å
247A98.7Very high97.1Very high10 Ų1050.1 Ų50.18%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-103.6157.4160.700000110.3E134 A178 K325E134-A247 WeakPolarHBondContact CG-O 3.23Å; A178-A247 HydrophobicContact CB-CB 4.39Å; A178-A247 CarbonylContact O-C 3.57Å; A178-A247 WeakPolarHBondContact O-CA 3.38Å; A247-K325 PolarHBondContact O-NZ 2.89Å; A247-K325 VanDerWaalsContact O-NZ 3.09Å
248Y98.9Very high97.2Very high0 Ų046.6 Ų46.60%024%0.242CC..EExtended strand (participates in β ladder)trans-144.2132.8177.4-57.8-82.4000112.3E134 A178 L179 R180 S243 Q246 K325 A326 E329 L330E134-Y248 WeakPolarHBondContact OE1-CA 3.44Å; A178-Y248 PolarHBondContact O-N 3.08Å; L179-Y248 HydrophobicContact CD2-CD2 3.77Å; L179-Y248 HydrophobicContact CD2-CG 4.19Å; R180-Y248 PolarHBondContact N-O 3.25Å; S243-Y248 VanDerWaalsContact CA-OH 3.27Å; S243-Y248 WeakPolarHBondContact CA-OH 3.46Å; Q246-Y248 HydrophobicContact CB-CD2 4.46Å; Q246-Y248 HydrophobicContact CB-CE1 4.38Å; Q246-Y248 HydrophobicContact CB-CE2 3.55Å; Q246-Y248 VanDerWaalsContact CB-OH 3.28Å; Q246-Y248 WeakPolarHBondContact CB-OH 3.18Å; Q246-Y248 WeakPolarHBondContact CG-OH 3.2Å; Y248-K325 HydrophobicContact CD1-CB 4.35Å; Y248-K325 HydrophobicContact CD1-CD 3.98Å; Y248-K325 HydrophobicContact CD1-CG 4.01Å; Y248-K325 HydrophobicContact CE1-CD 3.9Å; Y248-K325 HydrophobicContact CE1-CG 3.82Å; Y248-A326 HydrophobicContact CD1-CB 4.22Å; Y248-E329 HydrophobicContact CE1-CB 3.89Å; Y248-E329 HydrophobicContact CE1-CG 4.47Å; Y248-E329 WeakPolarHBondContact CE1-OE2 3.35Å; Y248-E329 VanDerWaalsContact CZ-OE2 3.26Å; Y248-E329 PolarHBondContact OH-OE2 3.43Å; Y248-L330 HydrophobicContact CD1-CD1 4.15Å; Y248-L330 HydrophobicContact CD1-CG 4.26Å; Y248-L330 HydrophobicContact CD2-CD1 3.89Å; Y248-L330 HydrophobicContact CD2-CD2 4.5Å; Y248-L330 HydrophobicContact CD2-CG 4.47Å; Y248-L330 HydrophobicContact CE1-CD1 4.4Å; Y248-L330 HydrophobicContact CE1-CD2 4.26Å; Y248-L330 HydrophobicContact CE1-CG 4.08Å; Y248-L330 HydrophobicContact CE2-CD1 4.15Å; Y248-L330 HydrophobicContact CE2-CD2 3.92Å; Y248-L330 HydrophobicContact CE2-CG 4.29Å; Y248-L330 HydrophobicContact CG-CD1 3.87Å; Y248-L330 HydrophobicContact CG-CG 4.43Å
249F98.8Very high97.2Very high4 Ų439.3 Ų39.32%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-77.3132.4165.6-70.2-75000111.3F120 V123 D133 E134 R180 F321F120-F249 HydrophobicContact CB-CD1 4.2Å; F120-F249 HydrophobicContact CB-CE1 3.92Å; V123-F249 HydrophobicContact CG2-CE1 4.15Å; V123-F249 HydrophobicContact CG2-CZ 3.83Å; D133-F249 WeakPolarHBondContact O-CE2 3.37Å; E134-F249 HydrophobicContact CG-CD2 4.03Å; E134-F249 HydrophobicContact CG-CE2 4.22Å; E134-F249 PolarHBondContact OE1-N 3.07Å; R180-F249 HydrophobicContact CB-CD1 3.71Å; R180-F249 HydrophobicContact CB-CE1 3.96Å; R180-F249 HydrophobicContact CB-CG 4.44Å; R180-F249 HydrophobicContact CG-CE1 4.46Å; F249-F321 HydrophobicContact CB-CB 3.78Å; F249-F321 HydrophobicContact CD1-CB 3.72Å; F249-F321 AromaticContact CD1-CD1 3.82Å; F249-F321 HydrophobicContact CD1-CD1 3.82Å; F249-F321 AromaticContact CD1-CD2 3.98Å; F249-F321 HydrophobicContact CD1-CD2 3.98Å; F249-F321 HydrophobicContact CD1-CE1 4.46Å; F249-F321 AromaticContact CD1-CG 3.54Å; F249-F321 HydrophobicContact CD1-CG 3.54Å; F249-F321 HydrophobicContact CD2-CB 3.91Å; F249-F321 HydrophobicContact CD2-CD1 4.17Å; F249-F321 HydrophobicContact CD2-CG 4.27Å; F249-F321 HydrophobicContact CE1-CB 4.25Å; F249-F321 AromaticContact CE1-CD1 3.43Å; F249-F321 HydrophobicContact CE1-CD1 3.43Å; F249-F321 VanDerWaalsContact CE1-CD1 3.43Å; F249-F321 HydrophobicContact CE1-CD2 4.1Å; F249-F321 AromaticContact CE1-CE1 3.71Å; F249-F321 HydrophobicContact CE1-CE1 3.71Å; F249-F321 HydrophobicContact CE1-CE2 4.35Å; F249-F321 AromaticContact CE1-CG 3.65Å; F249-F321 HydrophobicContact CE1-CG 3.65Å; F249-F321 HydrophobicContact CE1-CZ 4.16Å; F249-F321 HydrophobicContact CE2-CB 4.44Å; F249-F321 AromaticContact CE2-CD1 3.83Å; F249-F321 HydrophobicContact CE2-CD1 3.83Å; F249-F321 HydrophobicContact CE2-CG 4.36Å; F249-F321 HydrophobicContact CG-CB 3.52Å; F249-F321 HydrophobicContact CG-CD1 4.17Å; F249-F321 AromaticContact CG-CG 3.87Å; F249-F321 HydrophobicContact CG-CG 3.87Å; F249-F321 AromaticContact CZ-CD1 3.44Å; F249-F321 HydrophobicContact CZ-CD1 3.44Å; F249-F321 VanDerWaalsContact CZ-CD1 3.44Å; F249-F321 AromaticContact CZ-CE1 3.76Å; F249-F321 HydrophobicContact CZ-CE1 3.76Å; F249-F321 HydrophobicContact CZ-CG 4.07Å
250I98.8Very high97.3Very high1 Ų139.1 Ų39.11%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-125.2117.2-176.7-53.9-61.3000109.3L179 R180 P181 A182 V219 L224 A227 A326 Y332L179-I250 HydrophobicContact CB-CG1 4.14Å; L179-I250 HydrophobicContact CD2-CD1 4.14Å; L179-I250 HydrophobicContact CD2-CG1 4.07Å; L179-I250 HydrophobicContact CG-CG1 4.49Å; R180-I250 PolarHBondContact O-N 3.02Å; R180-I250 VanDerWaalsContact O-N 3.16Å; P181-I250 CarbonylContact C-O 3.47Å; P181-I250 WeakPolarHBondContact CA-O 3.18Å; A182-I250 PolarHBondContact N-O 3.42Å; V219-I250 HydrophobicContact CG2-CG2 4.09Å; L224-I250 HydrophobicContact CD1-CB 4.48Å; L224-I250 HydrophobicContact CD1-CG2 3.99Å; A227-I250 HydrophobicContact CB-CD1 3.94Å; A227-I250 HydrophobicContact CB-CG1 4.14Å; A227-I250 HydrophobicContact CB-CG2 3.59Å; I250-A326 HydrophobicContact CD1-CB 3.89Å; I250-Y332 HydrophobicContact CD1-CD1 4.24Å; I250-Y332 HydrophobicContact CD1-CE1 4.39Å; I250-Y332 HydrophobicContact CG2-CE1 3.9Å; I250-Y332 HydrophobicContact CG2-CE2 4.37Å; I250-Y332 WeakPolarHBondContact CG2-OH 3.45Å
251S98.2Very high97.3Very high3 Ų333 Ų332%0.02118%0.178CC..  trans-144.1177176.180.30000111.2E217 G253 M323 Y332E217-S251 WeakPolarHBondContact OE1-CB 3.46Å; E217-S251 PolarHBondContact OE1-OG 3.39Å; S251-G253 PolarHBondContact O-N 2.89Å; S251-G253 PolarHBondContact OG-N 2.78Å; S251-M323 VanDerWaalsContact C-SD 3.57Å; S251-M323 PolarHBondContact N-SD 2.95Å; S251-M323 VanDerWaalsContact N-SD 3.39Å; S251-M323 PolarHBondContact OG-SD 2.83Å; S251-Y332 WeakPolarHBondContact O-CE1 3.37Å; S251-Y332 PolarHBondContact O-OH 3.4Å
252D97.9Very high97.3Very high13 Ų1331.3 Ų31.37%0.0717%0.17CC..  trans-81.32.2169.4-68.5-8.3000112.9Y185 F218 V219 H220 N223 R254Y185-D252 VanDerWaalsContact CE1-OD2 3.26Å; Y185-D252 WeakPolarHBondContact CE1-OD2 3.46Å; Y185-D252 PolarHBondContact OH-OD2 3.33Å; Y185-D252 VanDerWaalsContact OH-OD2 3.09Å; F218-D252 PolarHBondContact O-N 2.91Å; V219-D252 WeakPolarHBondContact CA-OD1 3.34Å; H220-D252 PolarHBondContact N-OD1 3.48Å; H220-D252 PolarHBondContact N-OD2 3.43Å; N223-D252 PolarHBondContact ND2-OD1 3.2Å; D252-R254 VanDerWaalsContact C-N 3.27Å; D252-R254 PolarHBondContact O-N 3.12Å; D252-R254 IonicContact OD2-NH2 3.7Å
253G95.7Very high97.2Very high37 Ų3729 Ų2938%0.38116%0.161SC..SBendtrans67.422.3179.100000115.2S251S251-G253 PolarHBondContact O-N 2.89Å; S251-G253 PolarHBondContact OG-N 2.78Å
254R95.3Very high97.2Very high102 Ų10232 Ų3239%0.38518%0.181SC..  trans-126.479.4-178.7-66-177.1-65166.25.2110.8D252 V256 E336 Y337D252-R254 VanDerWaalsContact C-N 3.27Å; D252-R254 PolarHBondContact O-N 3.12Å; D252-R254 IonicContact OD2-NH2 3.7Å; R254-V256 PolarHBondContact O-N 2.85Å; R254-E336 IonicContact NH1-OE1 3.1Å; R254-E336 PolarHBondContact NH1-OE1 2.98Å; R254-E336 VanDerWaalsContact NH1-OE1 3.07Å; R254-Y337 PolarHBondContact NH2-O 2.75Å
255P96.6Very high97.1Very high50 Ų5030.7 Ų30.733%0.32517%0.17SC..  trans-57.3128.6173.3-23.433.8000110.9L215 V216 E217 Y320L215-P255 HydrophobicContact CB-CB 4Å; L215-P255 HydrophobicContact CD1-CB 4.16Å; V216-P255 WeakPolarHBondContact O-CA 3.45Å; E217-P255 HydrophobicContact CG-CB 4.24Å; E217-P255 HydrophobicContact CG-CG 4.01Å; P255-Y320 HydrophobicContact CB-CD1 4.35Å; P255-Y320 HydrophobicContact CB-CD2 4.43Å; P255-Y320 HydrophobicContact CB-CG 4.07Å; P255-Y320 HydrophobicContact CG-CD2 3.77Å; P255-Y320 HydrophobicContact CG-CE2 4.39Å; P255-Y320 HydrophobicContact CG-CG 3.86Å
256V97.2Very high96.9Very high42 Ų4229.2 Ų29.226%0.25515%0.154SC..BIsolated β-bridgetrans-146.2154.5-17361.30000110V216 F218 R254 N258 F261V216-V256 PolarHBondContact N-O 3.35Å; V216-V256 PolarHBondContact O-N 3.45Å; F218-V256 HydrophobicContact CD2-CG1 4.1Å; F218-V256 HydrophobicContact CE2-CG1 4.21Å; R254-V256 PolarHBondContact O-N 2.85Å; V256-N258 PolarHBondContact O-N 3.43Å; V256-F261 HydrophobicContact CG1-CB 3.83Å; V256-F261 HydrophobicContact CG1-CD2 3.94Å; V256-F261 HydrophobicContact CG1-CG 4.24Å; V256-F261 HydrophobicContact CG2-CB 4.44Å
257N97.4Very high96.8Very high7 Ų730.8 Ų30.84%0.03716%0.162CC..  trans-64130.2171.7-174.7-94.2000110.7D211 P212 S214 F259 E260 F261D211-N257 PolarHBondContact O-ND2 2.84Å; P212-N257 PolarHBondContact O-ND2 3.07Å; S214-N257 VanDerWaalsContact O-CA 3.23Å; S214-N257 WeakPolarHBondContact O-CA 3.42Å; S214-N257 WeakPolarHBondContact O-CB 3.32Å; S214-N257 PolarHBondContact O-ND2 2.79Å; S214-N257 PolarHBondContact OG-ND2 3.11Å; S214-N257 VanDerWaalsContact OG-ND2 3.17Å; N257-F259 VanDerWaalsContact C-N 3.27Å; N257-F259 PolarHBondContact O-N 3.2Å; N257-F259 VanDerWaalsContact O-N 3.16Å; N257-F259 PolarHBondContact OD1-N 3.35Å; N257-E260 HydrophobicContact CB-CB 4.06Å; N257-E260 HydrophobicContact CB-CG 3.91Å; N257-E260 PolarHBondContact O-N 3.38Å; N257-E260 VanDerWaalsContact O-N 3.08Å; N257-F261 PolarHBondContact O-N 3.39Å
258N96.2Very high96.7Very high14 Ų1431.5 Ų31.58%0.07517%0.17CC..Hα-helixtrans-50.2-44.3-176.8172.880.2000113.2V216 V256 F261 F262 T315V216-N258 HydrophobicContact CG1-CB 4.46Å; V216-N258 HydrophobicContact CG2-CB 3.8Å; V256-N258 PolarHBondContact O-N 3.43Å; N258-F261 WeakPolarHBondContact O-CB 3.5Å; N258-F262 WeakPolarHBondContact O-CD2 3.27Å; N258-T315 VanDerWaalsContact CB-O 3.31Å; N258-T315 WeakPolarHBondContact CB-O 3.29Å; N258-T315 WeakPolarHBondContact ND2-CB 3.44Å
259F95.4Very high96.5Very high10 Ų1031.8 Ų31.84%0.04417%0.171CC..Hα-helixtrans-74.4-38.8-177.4-59-81.2000111.7F205 V208 Y209 N257 F261 F262 R263 F273F205-F259 HydrophobicContact CE2-CD1 4.33Å; F205-F259 HydrophobicContact CZ-CD1 4.32Å; V208-F259 HydrophobicContact CB-CB 4.12Å; V208-F259 HydrophobicContact CB-CD1 3.88Å; V208-F259 HydrophobicContact CB-CD2 3.94Å; V208-F259 HydrophobicContact CB-CE1 4.29Å; V208-F259 HydrophobicContact CB-CE2 4.36Å; V208-F259 HydrophobicContact CB-CG 3.69Å; V208-F259 HydrophobicContact CG1-CB 3.62Å; V208-F259 HydrophobicContact CG1-CD1 3.63Å; V208-F259 HydrophobicContact CG1-CD2 4.34Å; V208-F259 HydrophobicContact CG1-CE1 4.41Å; V208-F259 HydrophobicContact CG1-CG 3.59Å; Y209-F259 HydrophobicContact CD1-CE1 4.1Å; Y209-F259 HydrophobicContact CD1-CE2 4.41Å; Y209-F259 AromaticContact CD1-CZ 3.51Å; Y209-F259 HydrophobicContact CD1-CZ 3.51Å; Y209-F259 HydrophobicContact CD2-CE2 4.22Å; Y209-F259 AromaticContact CD2-CZ 3.91Å; Y209-F259 HydrophobicContact CD2-CZ 3.91Å; Y209-F259 AromaticContact CE1-CE1 3.92Å; Y209-F259 HydrophobicContact CE1-CE1 3.92Å; Y209-F259 AromaticContact CE1-CZ 3.44Å; Y209-F259 HydrophobicContact CE1-CZ 3.44Å; Y209-F259 VanDerWaalsContact CE1-CZ 3.44Å; Y209-F259 HydrophobicContact CE2-CE2 4.38Å; Y209-F259 AromaticContact CE2-CZ 3.83Å; Y209-F259 HydrophobicContact CE2-CZ 3.83Å; Y209-F259 HydrophobicContact CG-CE2 4.25Å; Y209-F259 AromaticContact CG-CZ 3.77Å; Y209-F259 HydrophobicContact CG-CZ 3.77Å; Y209-F259 AromaticContact CZ-CZ 3.63Å; Y209-F259 WeakPolarHBondContact O-CE2 3.35Å; N257-F259 VanDerWaalsContact C-N 3.27Å; N257-F259 PolarHBondContact O-N 3.2Å; N257-F259 VanDerWaalsContact O-N 3.16Å; N257-F259 PolarHBondContact OD1-N 3.35Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 3.3Å; F259-F262 PolarHBondContact O-N 2.85Å; F259-R263 PolarHBondContact O-N 3.12Å; F259-F273 HydrophobicContact CB-CZ 3.95Å; F259-F273 VanDerWaalsContact O-CE2 3.3Å; F259-F273 WeakPolarHBondContact O-CE2 3.15Å; F259-F273 VanDerWaalsContact O-CZ 3.26Å; F259-F273 WeakPolarHBondContact O-CZ 3.19Å
260E95.9Very high96.3Very high74 Ų7433.3 Ų33.335%0.34619%0.188SC..Hα-helixtrans-64.4-36.1176.4-63.9-58.9141.100111.6N257 F262 R263N257-E260 HydrophobicContact CB-CB 4.06Å; N257-E260 HydrophobicContact CB-CG 3.91Å; N257-E260 PolarHBondContact O-N 3.38Å; N257-E260 VanDerWaalsContact O-N 3.08Å; E260-F262 PolarHBondContact O-N 3.32Å; E260-R263 VanDerWaalsContact O-CB 3.27Å; E260-R263 WeakPolarHBondContact O-CB 2.88Å; E260-R263 PolarHBondContact O-N 3.25Å; E260-R263 IonicContact OE1-CZ 3.34Å; E260-R263 IonicContact OE1-NH2 2.62Å; E260-R263 PolarHBondContact OE1-NH2 3.04Å; E260-R263 IonicContact OE2-CZ 3.46Å; E260-R263 IonicContact OE2-NE 3.56Å; E260-R263 PolarHBondContact OE2-NE 3.14Å; E260-R263 IonicContact OE2-NH2 3.17Å; E260-R263 PolarHBondContact OE2-NH2 3.49Å
261F96.6Very high96.1Very high28 Ų2835.7 Ų35.712%0.12320%0.197CC..Hα-helixtrans-53.9-42.9172.1178.8-104000111.7Y185 F218 V256 N257 N258 F259 P264 L339Y185-F261 HydrophobicContact CD1-CE1 4.47Å; Y185-F261 HydrophobicContact CD1-CE2 4.48Å; Y185-F261 AromaticContact CD1-CZ 3.65Å; Y185-F261 HydrophobicContact CD1-CZ 3.65Å; Y185-F261 AromaticContact CD2-CZ 3.95Å; Y185-F261 HydrophobicContact CD2-CZ 3.95Å; Y185-F261 HydrophobicContact CE1-CE2 4.21Å; Y185-F261 AromaticContact CE1-CZ 3.79Å; Y185-F261 HydrophobicContact CE1-CZ 3.79Å; Y185-F261 HydrophobicContact CE2-CZ 4.12Å; Y185-F261 HydrophobicContact CG-CE1 4.29Å; Y185-F261 AromaticContact CG-CZ 3.69Å; Y185-F261 HydrophobicContact CG-CZ 3.69Å; F218-F261 HydrophobicContact CB-CE1 4.28Å; F218-F261 HydrophobicContact CB-CE2 4.02Å; F218-F261 HydrophobicContact CB-CZ 3.82Å; F218-F261 HydrophobicContact CD1-CD1 4.02Å; F218-F261 AromaticContact CD1-CE1 3.68Å; F218-F261 HydrophobicContact CD1-CE1 3.68Å; F218-F261 HydrophobicContact CD1-CZ 4.11Å; F218-F261 HydrophobicContact CD2-CB 4.15Å; F218-F261 AromaticContact CD2-CD1 3.62Å; F218-F261 HydrophobicContact CD2-CD1 3.62Å; F218-F261 AromaticContact CD2-CD2 3.61Å; F218-F261 HydrophobicContact CD2-CD2 3.61Å; F218-F261 AromaticContact CD2-CE1 3.84Å; F218-F261 HydrophobicContact CD2-CE1 3.84Å; F218-F261 AromaticContact CD2-CE2 3.83Å; F218-F261 HydrophobicContact CD2-CE2 3.83Å; F218-F261 AromaticContact CD2-CG 3.5Å; F218-F261 HydrophobicContact CD2-CG 3.5Å; F218-F261 VanDerWaalsContact CD2-CG 3.5Å; F218-F261 AromaticContact CD2-CZ 3.94Å; F218-F261 HydrophobicContact CD2-CZ 3.94Å; F218-F261 AromaticContact CE1-CD1 3.84Å; F218-F261 HydrophobicContact CE1-CD1 3.84Å; F218-F261 AromaticContact CE1-CE1 3.9Å; F218-F261 HydrophobicContact CE1-CE1 3.9Å; F218-F261 HydrophobicContact CE2-CB 3.61Å; F218-F261 AromaticContact CE2-CD1 3.41Å; F218-F261 HydrophobicContact CE2-CD1 3.41Å; F218-F261 VanDerWaalsContact CE2-CD1 3.41Å; F218-F261 AromaticContact CE2-CD2 3.98Å; F218-F261 HydrophobicContact CE2-CD2 3.98Å; F218-F261 HydrophobicContact CE2-CE1 4.04Å; F218-F261 AromaticContact CE2-CG 3.38Å; F218-F261 HydrophobicContact CE2-CG 3.38Å; F218-F261 AromaticContact CG-CD1 3.92Å; F218-F261 HydrophobicContact CG-CD1 3.92Å; F218-F261 HydrophobicContact CG-CD2 4.22Å; F218-F261 AromaticContact CG-CE1 3.65Å; F218-F261 HydrophobicContact CG-CE1 3.65Å; F218-F261 AromaticContact CG-CE2 3.97Å; F218-F261 HydrophobicContact CG-CE2 3.97Å; F218-F261 HydrophobicContact CG-CG 4.19Å; F218-F261 AromaticContact CG-CZ 3.68Å; F218-F261 HydrophobicContact CG-CZ 3.68Å; F218-F261 HydrophobicContact CZ-CB 4.26Å; F218-F261 AromaticContact CZ-CD1 3.53Å; F218-F261 HydrophobicContact CZ-CD1 3.53Å; F218-F261 HydrophobicContact CZ-CE1 4.08Å; F218-F261 AromaticContact CZ-CG 3.99Å; F218-F261 HydrophobicContact CZ-CG 3.99Å; V256-F261 HydrophobicContact CG1-CB 3.83Å; V256-F261 HydrophobicContact CG1-CD2 3.94Å; V256-F261 HydrophobicContact CG1-CG 4.24Å; V256-F261 HydrophobicContact CG2-CB 4.44Å; N257-F261 PolarHBondContact O-N 3.39Å; N258-F261 WeakPolarHBondContact O-CB 3.5Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 3.3Å; F261-P264 VanDerWaalsContact O-CD 3.3Å; F261-P264 WeakPolarHBondContact O-CD 3.2Å; F261-L339 HydrophobicContact CD1-CD1 4.42Å; F261-L339 HydrophobicContact CE1-CD1 4.24Å; F261-L339 HydrophobicContact CE1-CD2 4.23Å; F261-L339 HydrophobicContact CZ-CD1 4.48Å; F261-L339 HydrophobicContact CZ-CD2 4.15Å; F261-L339 HydrophobicContact CZ-CG 4.35Å; F261-L339 WeakPolarHBondContact O-CD1 3.38Å
262F95.7Very high95.8Very high18 Ų1840.5 Ų40.58%0.07923%0.231CC..THydrogen-bonded Turntrans-84.3-2.7179.3-67.2-64.3000114.8L193 I196 F218 N258 F259 E260 L265 V266 L339L193-F262 HydrophobicContact CD2-CD1 4.29Å; L193-F262 HydrophobicContact CD2-CE1 3.5Å; L193-F262 VanDerWaalsContact CD2-CE1 3.5Å; L193-F262 HydrophobicContact CD2-CZ 4.32Å; I196-F262 HydrophobicContact CD1-CD1 4.24Å; I196-F262 HydrophobicContact CD1-CD2 4.27Å; I196-F262 HydrophobicContact CD1-CE1 3.89Å; I196-F262 HydrophobicContact CD1-CE2 3.92Å; I196-F262 HydrophobicContact CD1-CG 4.43Å; I196-F262 HydrophobicContact CD1-CZ 3.72Å; F218-F262 HydrophobicContact CE1-CE2 4.15Å; F218-F262 AromaticContact CE1-CZ 3.93Å; F218-F262 HydrophobicContact CE1-CZ 3.93Å; F218-F262 AromaticContact CZ-CE2 3.98Å; F218-F262 HydrophobicContact CZ-CE2 3.98Å; F218-F262 HydrophobicContact CZ-CZ 4.19Å; N258-F262 WeakPolarHBondContact O-CD2 3.27Å; F259-F262 PolarHBondContact O-N 2.85Å; E260-F262 PolarHBondContact O-N 3.32Å; F262-L265 HydrophobicContact CD1-CD2 4.24Å; F262-L265 WeakPolarHBondContact O-CB 3.35Å; F262-L265 PolarHBondContact O-N 2.94Å; F262-L265 VanDerWaalsContact O-N 3.09Å; F262-V266 WeakPolarHBondContact O-CG2 3.48Å; F262-V266 PolarHBondContact O-N 3.09Å; F262-V266 VanDerWaalsContact O-N 3.15Å; F262-L339 HydrophobicContact CD1-CD1 4.31Å
263R96.1Very high95.6Very high72 Ų7240.8 Ų40.827%0.27223%0.232SC..Hα-helixtrans-54.3-47.5178.2175.9-171.4-63.5-77.4-2.6113F259 E260 L265 V266 E267 F273F259-R263 PolarHBondContact O-N 3.12Å; E260-R263 VanDerWaalsContact O-CB 3.27Å; E260-R263 WeakPolarHBondContact O-CB 2.88Å; E260-R263 PolarHBondContact O-N 3.25Å; E260-R263 IonicContact OE1-CZ 3.34Å; E260-R263 IonicContact OE1-NH2 2.62Å; E260-R263 PolarHBondContact OE1-NH2 3.04Å; E260-R263 IonicContact OE2-CZ 3.46Å; E260-R263 IonicContact OE2-NE 3.56Å; E260-R263 PolarHBondContact OE2-NE 3.14Å; E260-R263 IonicContact OE2-NH2 3.17Å; E260-R263 PolarHBondContact OE2-NH2 3.49Å; R263-L265 PolarHBondContact O-N 3.42Å; R263-V266 PolarHBondContact O-N 2.89Å; R263-V266 VanDerWaalsContact O-N 3.14Å; R263-E267 VanDerWaalsContact CG-CD 3.45Å; R263-E267 HydrophobicContact CG-CG 4.18Å; R263-E267 WeakPolarHBondContact CG-OE1 3.27Å; R263-E267 IonicContact NH1-OE1 3.16Å; R263-E267 PolarHBondContact NH1-OE1 2.68Å; R263-E267 VanDerWaalsContact NH1-OE1 3.1Å; R263-E267 PolarHBondContact O-N 2.81Å; R263-F273 HydrophobicContact CB-CD2 3.81Å; R263-F273 HydrophobicContact CB-CE2 3.69Å; R263-F273 HydrophobicContact CB-CG 4.49Å; R263-F273 HydrophobicContact CB-CZ 4.27Å; R263-F273 HydrophobicContact CG-CD2 3.92Å; R263-F273 HydrophobicContact CG-CE2 4.29Å; R263-F273 HydrophobicContact CG-CG 4.21Å; R263-F273 VanDerWaalsContact CZ-CD1 3.44Å; R263-F273 VanDerWaalsContact NH1-CD1 3.29Å; R263-F273 VanDerWaalsContact NH2-CD1 3.29Å; R263-F273 VanDerWaalsContact NH2-CE1 3.29Å
264P96.4Very high95.4Very high64 Ų6439.8 Ų39.842%0.41622%0.218SC..Hα-helixtrans-60.5-31178.6-2334.8000113.1F261 G268 L339F261-P264 VanDerWaalsContact O-CD 3.3Å; F261-P264 WeakPolarHBondContact O-CD 3.2Å; P264-G268 VanDerWaalsContact O-CA 3.26Å; P264-G268 WeakPolarHBondContact O-CA 3.17Å; P264-G268 PolarHBondContact O-N 3.12Å; P264-L339 HydrophobicContact CB-CB 4.3Å
265L96.1Very high95.2Very high0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-67.7-47.5174.8178.561.9000111.6L193 I196 V197 F262 R263 L269 L339 V342 V343 F346L193-L265 HydrophobicContact CD2-CD2 4.43Å; I196-L265 HydrophobicContact CG2-CD2 4.39Å; V197-L265 HydrophobicContact CG2-CD1 4.36Å; V197-L265 HydrophobicContact CG2-CD2 4.18Å; F262-L265 HydrophobicContact CD1-CD2 4.24Å; F262-L265 WeakPolarHBondContact O-CB 3.35Å; F262-L265 PolarHBondContact O-N 2.94Å; F262-L265 VanDerWaalsContact O-N 3.09Å; R263-L265 PolarHBondContact O-N 3.42Å; L265-L269 HydrophobicContact CD1-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CG 4.27Å; L265-L269 HydrophobicContact CG-CD1 4.28Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.27Å; L265-L269 PolarHBondContact O-N 3.43Å; L265-L269 VanDerWaalsContact O-N 3.11Å; L265-L339 HydrophobicContact CB-CD1 4.15Å; L265-V342 HydrophobicContact CD1-CG1 4Å; L265-V343 HydrophobicContact CD1-CG2 3.95Å; L265-F346 HydrophobicContact CD1-CD2 4.18Å
266V95.4Very high95.1Very high2 Ų247.3 Ų47.31%0.01225%0.253CS..Hα-helixtrans-62.4-51.9-179.6178.90000110.9I200 F205 F262 R263 L269 Y271 F273I200-V266 HydrophobicContact CD1-CB 4.37Å; I200-V266 HydrophobicContact CD1-CG2 3.61Å; I200-V266 HydrophobicContact CG1-CG2 4.17Å; F205-V266 HydrophobicContact CD1-CG2 4.21Å; F205-V266 HydrophobicContact CE1-CG2 3.75Å; F262-V266 WeakPolarHBondContact O-CG2 3.48Å; F262-V266 PolarHBondContact O-N 3.09Å; F262-V266 VanDerWaalsContact O-N 3.15Å; R263-V266 PolarHBondContact O-N 2.89Å; R263-V266 VanDerWaalsContact O-N 3.14Å; V266-L269 PolarHBondContact O-N 3Å; V266-Y271 PolarHBondContact O-N 3.4Å; V266-Y271 VanDerWaalsContact O-N 3.14Å; V266-F273 HydrophobicContact CB-CD2 4.1Å; V266-F273 HydrophobicContact CG1-CD2 4.31Å; V266-F273 HydrophobicContact CG2-CD2 4.05Å; V266-F273 HydrophobicContact CG2-CE2 4.36Å
267E96.2Very high94.9Very high96 Ų9648.8 Ų48.845%0.44925%0.254SS..Hα-helixtrans-71.3-39.3-177.2-67.2176.217900110.9R263 L269 G270 Y271 F273R263-E267 VanDerWaalsContact CG-CD 3.45Å; R263-E267 HydrophobicContact CG-CG 4.18Å; R263-E267 WeakPolarHBondContact CG-OE1 3.27Å; R263-E267 IonicContact NH1-OE1 3.16Å; R263-E267 PolarHBondContact NH1-OE1 2.68Å; R263-E267 VanDerWaalsContact NH1-OE1 3.1Å; R263-E267 PolarHBondContact O-N 2.81Å; E267-L269 PolarHBondContact O-N 3.02Å; E267-G270 WeakPolarHBondContact O-CA 3.35Å; E267-G270 PolarHBondContact O-N 2.73Å; E267-Y271 WeakPolarHBondContact CA-O 3.45Å; E267-F273 HydrophobicContact CG-CB 4.39Å
268G95.8Very high94.8Very high25 Ų2550.3 Ų50.326%0.25826%0.262SS..Hα-helixtrans-60.6-31.2175.700000113.5P264 G270 K347P264-G268 VanDerWaalsContact O-CA 3.26Å; P264-G268 WeakPolarHBondContact O-CA 3.17Å; P264-G268 PolarHBondContact O-N 3.12Å; G268-G270 VanDerWaalsContact C-N 3.28Å; G268-K347 WeakPolarHBondContact O-CE 3.37Å; G268-K347 PolarHBondContact O-NZ 3.28Å
269L95.7Very high94.7Very high5 Ų553.3 Ų53.33%0.02628%0.282CS..THydrogen-bonded Turntrans-81.9-0.2173.2-69.9175.2000113.9V197 L265 V266 E267 Y271 F346 K347 H351 G352 R353V197-L269 HydrophobicContact CG1-CD1 4.11Å; V197-L269 HydrophobicContact CG2-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CG 4.27Å; L265-L269 HydrophobicContact CG-CD1 4.28Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.27Å; L265-L269 PolarHBondContact O-N 3.43Å; L265-L269 VanDerWaalsContact O-N 3.11Å; V266-L269 PolarHBondContact O-N 3Å; E267-L269 PolarHBondContact O-N 3.02Å; L269-Y271 HydrophobicContact CB-CD2 3.85Å; L269-Y271 HydrophobicContact CB-CE2 4.15Å; L269-Y271 WeakPolarHBondContact O-CD2 3.05Å; L269-F346 HydrophobicContact CD2-CB 4.09Å; L269-K347 HydrophobicContact CD2-CG 4.16Å; L269-H351 HydrophobicContact CD2-CB 4.48Å; L269-G352 WeakPolarHBondContact O-CA 3.5Å; L269-R353 PolarHBondContact O-N 3.47Å
270G94.3Very high94.4Very high36 Ų3654.9 Ų54.937%0.37129%0.291SS..THydrogen-bonded Turntrans8814176.200000115.1E267 G268 R353E267-G270 WeakPolarHBondContact O-CA 3.35Å; E267-G270 PolarHBondContact O-N 2.73Å; G268-G270 VanDerWaalsContact C-N 3.28Å; G270-R353 WeakPolarHBondContact O-CD 3.17Å; G270-R353 PolarHBondContact O-NH1 3.22Å
271Y93.8Very high94.2Very high51 Ų5155.7 Ų55.720%0.231%0.305CS..PPolyproline II helixtrans-99.1157.7177.5-64.4-93.4000111.3I200 E201 V266 E267 L269 G352 R353I200-Y271 HydrophobicContact CG2-CD1 3.83Å; I200-Y271 HydrophobicContact CG2-CD2 3.35Å; I200-Y271 HydrophobicContact CG2-CE1 4.28Å; I200-Y271 HydrophobicContact CG2-CE2 3.86Å; I200-Y271 HydrophobicContact CG2-CG 3.35Å; E201-Y271 HydrophobicContact CG-CE2 4.28Å; V266-Y271 PolarHBondContact O-N 3.4Å; V266-Y271 VanDerWaalsContact O-N 3.14Å; E267-Y271 WeakPolarHBondContact CA-O 3.45Å; L269-Y271 HydrophobicContact CB-CD2 3.85Å; L269-Y271 HydrophobicContact CB-CE2 4.15Å; L269-Y271 WeakPolarHBondContact O-CD2 3.05Å; Y271-G352 PolarHBondContact OH-O 2.83Å; Y271-R353 HydrophobicContact CD2-CB 4.49Å; Y271-R353 HydrophobicContact CE2-CB 4.08Å
272S91.9Very high93.9Very high104 Ų10456.3 Ų56.373%0.72731%0.309SS*.PPolyproline II helixtrans-88132.3176.4-58.30000110.4
273F93.9Very high93.7Very high20 Ų2056 Ų569%0.08831%0.308CS..PPolyproline II helixtrans-66.8136.3176.4-164-96.8000111.6F205 V208 F259 R263 V266 E267F205-F273 HydrophobicContact CE1-CE2 4.37Å; V208-F273 HydrophobicContact CG1-CE1 3.99Å; V208-F273 HydrophobicContact CG1-CZ 4.05Å; F259-F273 HydrophobicContact CB-CZ 3.95Å; F259-F273 VanDerWaalsContact O-CE2 3.3Å; F259-F273 WeakPolarHBondContact O-CE2 3.15Å; F259-F273 VanDerWaalsContact O-CZ 3.26Å; F259-F273 WeakPolarHBondContact O-CZ 3.19Å; R263-F273 HydrophobicContact CB-CD2 3.81Å; R263-F273 HydrophobicContact CB-CE2 3.69Å; R263-F273 HydrophobicContact CB-CG 4.49Å; R263-F273 HydrophobicContact CB-CZ 4.27Å; R263-F273 HydrophobicContact CG-CD2 3.92Å; R263-F273 HydrophobicContact CG-CE2 4.29Å; R263-F273 HydrophobicContact CG-CG 4.21Å; R263-F273 VanDerWaalsContact CZ-CD1 3.44Å; R263-F273 VanDerWaalsContact NH1-CD1 3.29Å; R263-F273 VanDerWaalsContact NH2-CD1 3.29Å; R263-F273 VanDerWaalsContact NH2-CE1 3.29Å; V266-F273 HydrophobicContact CB-CD2 4.1Å; V266-F273 HydrophobicContact CG1-CD2 4.31Å; V266-F273 HydrophobicContact CG2-CD2 4.05Å; V266-F273 HydrophobicContact CG2-CE2 4.36Å; E267-F273 HydrophobicContact CG-CB 4.39Å
274P92.2Very high93.4Very high15 Ų1555.6 Ų55.610%0.09731%0.307CS..PPolyproline II helixtrans-59.5141.7179.2-26.936.3000113.9F205 V208F205-P274 HydrophobicContact CD1-CG 3.58Å; F205-P274 HydrophobicContact CE1-CG 3.52Å; F205-P274 HydrophobicContact CG-CG 4.32Å; F205-P274 HydrophobicContact CZ-CG 4.2Å; F205-P274 WeakPolarHBondContact O-CG 3.28Å; V208-P274 HydrophobicContact CG1-CB 4.37Å
275K91.5Very high92.9Very high208 Ų20855.8 Ų55.890%0.90430%0.301SS*.  trans-103.7-24.2174.8-61.7-174.5-179.8-175.60113.4R277K275-R277 PolarHBondContact O-N 3.37Å
276L93.8Very high92.5Very high102 Ų10258.8 Ų58.853%0.53432%0.32SS..EExtended strand (participates in β ladder)trans-72.2127.7178.8178.862.1000109.5F207 V208 L278F207-L276 CarbonylContact C-O 3.38Å; F207-L276 VanDerWaalsContact CA-O 3.25Å; F207-L276 WeakPolarHBondContact CA-O 3.28Å; F207-L276 HydrophobicContact CB-CB 4.22Å; F207-L276 HydrophobicContact CB-CD2 4.21Å; F207-L276 HydrophobicContact CB-CG 4.16Å; F207-L276 WeakPolarHBondContact CB-O 3.36Å; V208-L276 PolarHBondContact N-O 3.37Å; L276-L278 HydrophobicContact CD1-CD2 4.25Å; L276-L278 HydrophobicContact CD2-CD2 4.21Å; L276-L278 HydrophobicContact CG-CD2 4.15Å; L276-L278 HydrophobicContact CG-CG 4.39Å
277R93.7Very high92Very high73 Ų7358.9 Ų58.928%0.27532%0.32SS..EExtended strand (participates in β ladder)trans-116.7124.2174.4-175.9169.1-79.4-104.86.2109.8V208 Y209 G210 D211 K275V208-R277 HydrophobicContact CG2-CB 3.87Å; V208-R277 HydrophobicContact CG2-CG 4.02Å; V208-R277 CarbonylContact O-C 3.57Å; V208-R277 VanDerWaalsContact O-CA 3.27Å; V208-R277 WeakPolarHBondContact O-CA 3.4Å; Y209-R277 PolarHBondContact O-NH1 2.96Å; G210-R277 WeakPolarHBondContact O-CD 3.44Å; G210-R277 PolarHBondContact O-NH1 3.48Å; D211-R277 PolarHBondContact O-NH1 3.2Å; K275-R277 PolarHBondContact O-N 3.37Å
278L94.1Very high91.5Very high40 Ų4058.4 Ų58.421%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-101.9148.9-179.8-63.9-179.6000111.5F207 V208 Y209 G210 L276 L282 I283F207-L278 HydrophobicContact CB-CD1 4.18Å; F207-L278 HydrophobicContact CB-CG 4.24Å; F207-L278 HydrophobicContact CD1-CD1 4.06Å; F207-L278 HydrophobicContact CD2-CD1 3.72Å; F207-L278 HydrophobicContact CD2-CG 4.23Å; F207-L278 HydrophobicContact CE1-CD1 4.39Å; F207-L278 HydrophobicContact CE2-CD1 4.07Å; F207-L278 HydrophobicContact CG-CD1 3.71Å; F207-L278 HydrophobicContact CG-CG 4.26Å; F207-L278 HydrophobicContact CZ-CD1 4.39Å; V208-L278 PolarHBondContact O-N 3.27Å; Y209-L278 WeakPolarHBondContact CA-O 3.3Å; Y209-L278 VanDerWaalsContact CB-O 3.27Å; Y209-L278 WeakPolarHBondContact CB-O 3.32Å; G210-L278 PolarHBondContact N-O 3.43Å; G210-L278 VanDerWaalsContact N-O 3.09Å; L276-L278 HydrophobicContact CD1-CD2 4.25Å; L276-L278 HydrophobicContact CD2-CD2 4.21Å; L276-L278 HydrophobicContact CG-CD2 4.15Å; L276-L278 HydrophobicContact CG-CG 4.39Å; L278-L282 HydrophobicContact CB-CD2 4.42Å; L278-L282 HydrophobicContact CD2-CD2 4.33Å; L278-I283 HydrophobicContact CB-CD1 3.97Å; L278-I283 HydrophobicContact CB-CG1 4.18Å; L278-I283 HydrophobicContact CD1-CD1 3.76Å
279P93.4Very high90.9Very high76 Ų7659.8 Ų59.849%0.49432%0.318SS..  trans-59.5143.3174.5-2434.3000112.4S281 L282 I283P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 3.18Å; P279-L282 HydrophobicContact CB-CB 4.27Å; P279-L282 WeakPolarHBondContact O-CB 3.38Å; P279-L282 PolarHBondContact O-N 3.05Å; P279-I283 PolarHBondContact O-N 2.82Å
280L90.9Very high90.2Very high44 Ų4461.1 Ų61.123%0.2333%0.326CS..Hα-helixtrans-59.3-43.3179.1-171.671.1000111.9Y209 L282 I283 Y284 V312 V317Y209-L280 HydrophobicContact CD2-CD1 3.85Å; Y209-L280 HydrophobicContact CE2-CD1 4.16Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 3.03Å; L280-I283 PolarHBondContact O-N 2.98Å; L280-Y284 WeakPolarHBondContact O-CB 3.4Å; L280-Y284 PolarHBondContact O-N 2.94Å; L280-V312 HydrophobicContact CD1-CG1 3.53Å; L280-V312 HydrophobicContact CG-CG1 4.21Å; L280-V317 HydrophobicContact CD2-CG2 3.88Å
281S90.2Very high89.4Confident91 Ų9160.8 Ų60.864%0.63632%0.315SS*.Hα-helixtrans-59-39.1179.851.90000112.4P279 Y284 F285P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 3.18Å; S281-Y284 PolarHBondContact O-N 3.1Å; S281-F285 WeakPolarHBondContact O-CB 3.49Å; S281-F285 PolarHBondContact O-N 3.02Å
282L91.2Very high88.8Confident41 Ų4162.4 Ų62.422%0.21533%0.326CS..Hα-helixtrans-62.7-50.3176.1170.658.3000111L278 P279 L280 Y284 F285 V286 L376L278-L282 HydrophobicContact CB-CD2 4.42Å; L278-L282 HydrophobicContact CD2-CD2 4.33Å; P279-L282 HydrophobicContact CB-CB 4.27Å; P279-L282 WeakPolarHBondContact O-CB 3.38Å; P279-L282 PolarHBondContact O-N 3.05Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 3.03Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 3.2Å; L282-F285 PolarHBondContact O-N 3.15Å; L282-V286 HydrophobicContact CD1-CG2 4.39Å; L282-V286 WeakPolarHBondContact O-CG2 3.27Å; L282-V286 PolarHBondContact O-N 3.16Å; L282-L376 HydrophobicContact CD1-CD1 4.44Å; L282-L376 HydrophobicContact CD1-CD2 3.28Å; L282-L376 HydrophobicContact CD1-CG 4.43Å
283I91.9Very high88.1Confident10 Ų1060.9 Ų60.95%0.05131%0.309CS..Hα-helixtrans-65.6-38.4179.9-58.7-52.8000111.2F207 Y209 L278 P279 L280 F285 V286 A287 L307 V312F207-I283 HydrophobicContact CD2-CD1 4.25Å; F207-I283 HydrophobicContact CE2-CD1 3.55Å; F207-I283 HydrophobicContact CE2-CG1 4.34Å; F207-I283 HydrophobicContact CZ-CD1 4.08Å; Y209-I283 HydrophobicContact CD1-CG1 3.98Å; Y209-I283 HydrophobicContact CD1-CG2 4.11Å; Y209-I283 HydrophobicContact CD2-CB 4.49Å; Y209-I283 HydrophobicContact CD2-CG1 4.43Å; Y209-I283 HydrophobicContact CD2-CG2 4.44Å; Y209-I283 HydrophobicContact CE1-CG2 4.05Å; Y209-I283 HydrophobicContact CE2-CG2 4.4Å; Y209-I283 HydrophobicContact CG-CB 4.29Å; Y209-I283 HydrophobicContact CG-CG1 3.78Å; Y209-I283 HydrophobicContact CG-CG2 4.28Å; L278-I283 HydrophobicContact CB-CD1 3.97Å; L278-I283 HydrophobicContact CB-CG1 4.18Å; L278-I283 HydrophobicContact CD1-CD1 3.76Å; P279-I283 PolarHBondContact O-N 2.82Å; L280-I283 PolarHBondContact O-N 2.98Å; I283-F285 VanDerWaalsContact C-N 3.35Å; I283-F285 PolarHBondContact O-N 2.77Å; I283-V286 PolarHBondContact O-N 2.79Å; I283-A287 WeakPolarHBondContact O-CB 3.49Å; I283-A287 PolarHBondContact O-N 3.23Å; I283-L307 HydrophobicContact CG2-CD1 4.07Å; I283-V312 HydrophobicContact CG2-CG1 4.31Å; I283-V312 HydrophobicContact CG2-CG2 3.71Å
284Y88.6Confident87.2Confident65 Ų6560.7 Ų60.726%0.25531%0.308SS..Hα-helixtrans-60.1-44.3175.1-175.2-92.4000112L280 S281 L282 A287 F288 R309 V312 Y313L280-Y284 WeakPolarHBondContact O-CB 3.4Å; L280-Y284 PolarHBondContact O-N 2.94Å; S281-Y284 PolarHBondContact O-N 3.1Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 3.2Å; Y284-A287 PolarHBondContact O-N 2.98Å; Y284-F288 PolarHBondContact O-N 3.14Å; Y284-R309 HydrophobicContact CD2-CB 4.12Å; Y284-R309 HydrophobicContact CD2-CG 4.02Å; Y284-R309 HydrophobicContact CE1-CG 4.39Å; Y284-R309 HydrophobicContact CE2-CB 3.6Å; Y284-R309 HydrophobicContact CE2-CG 3.67Å; Y284-R309 VanDerWaalsContact CZ-CD 3.43Å; Y284-R309 WeakPolarHBondContact OH-CD 3.45Å; Y284-V312 HydrophobicContact CD2-CG1 4.45Å; Y284-Y313 HydrophobicContact CD2-CD1 4.37Å; Y284-Y313 AromaticContact CD2-CE1 3.74Å; Y284-Y313 HydrophobicContact CD2-CE1 3.74Å; Y284-Y313 HydrophobicContact CD2-CE2 4.31Å; Y284-Y313 AromaticContact CD2-CZ 3.72Å; Y284-Y313 HydrophobicContact CE2-CD1 4.44Å; Y284-Y313 HydrophobicContact CE2-CD2 4.24Å; Y284-Y313 AromaticContact CE2-CE1 3.7Å; Y284-Y313 HydrophobicContact CE2-CE1 3.7Å; Y284-Y313 AromaticContact CE2-CE2 3.48Å; Y284-Y313 HydrophobicContact CE2-CE2 3.48Å; Y284-Y313 VanDerWaalsContact CE2-CE2 3.48Å; Y284-Y313 AromaticContact CE2-CZ 3.16Å; Y284-Y313 WeakPolarHBondContact CE2-OH 3.45Å; Y284-Y313 AromaticContact CZ-CZ 3.8Å; Y284-Y313 VanDerWaalsContact CZ-OH 3.3Å; Y284-Y313 PolarHBondContact OH-OH 3.11Å
285F87.3Confident86.2Confident68 Ų6866.2 Ų66.230%0.29833%0.332SS..Hα-helixtrans-63.4-42.4176179.8-106000112.2S281 L282 I283 A287 F288 L289 L376S281-F285 WeakPolarHBondContact O-CB 3.49Å; S281-F285 PolarHBondContact O-N 3.02Å; L282-F285 PolarHBondContact O-N 3.15Å; I283-F285 VanDerWaalsContact C-N 3.35Å; I283-F285 PolarHBondContact O-N 2.77Å; F285-A287 VanDerWaalsContact C-N 3.33Å; F285-A287 PolarHBondContact O-N 3.24Å; F285-F288 WeakPolarHBondContact O-CB 3.49Å; F285-F288 PolarHBondContact O-N 3.31Å; F285-L289 HydrophobicContact CD1-CD1 4.08Å; F285-L289 HydrophobicContact CE1-CD1 3.49Å; F285-L289 VanDerWaalsContact CE1-CD1 3.49Å; F285-L289 HydrophobicContact CE1-CG 4.14Å; F285-L289 HydrophobicContact CE2-CD2 4.46Å; F285-L289 HydrophobicContact CE2-CG 4.43Å; F285-L289 HydrophobicContact CZ-CD1 3.78Å; F285-L289 HydrophobicContact CZ-CD2 4.19Å; F285-L289 HydrophobicContact CZ-CG 4.09Å; F285-L289 WeakPolarHBondContact O-CG 3.39Å; F285-L289 PolarHBondContact O-N 2.66Å; F285-L376 HydrophobicContact CD1-CD1 3.85Å; F285-L376 HydrophobicContact CE1-CD1 3.73Å
286V86.6Confident85.4Confident63 Ų6362.2 Ų62.238%0.38232%0.32SS..Hα-helixtrans-62.6-41.2174.71730000111.3L282 I283 L289 T290L282-V286 HydrophobicContact CD1-CG2 4.39Å; L282-V286 WeakPolarHBondContact O-CG2 3.27Å; L282-V286 PolarHBondContact O-N 3.16Å; I283-V286 PolarHBondContact O-N 2.79Å; V286-L289 PolarHBondContact O-N 2.9Å; V286-T290 WeakPolarHBondContact O-CB 3.39Å; V286-T290 PolarHBondContact O-N 3.46Å; V286-T290 PolarHBondContact O-OG1 2.98Å
287A85Confident84.5Confident3 Ų361 Ų613%0.02531%0.313CS..Hα-helixtrans-63-42.7175.900000111.6I283 Y284 F285 L289 T290 E291 R309 V312I283-A287 WeakPolarHBondContact O-CB 3.49Å; I283-A287 PolarHBondContact O-N 3.23Å; Y284-A287 PolarHBondContact O-N 2.98Å; F285-A287 VanDerWaalsContact C-N 3.33Å; F285-A287 PolarHBondContact O-N 3.24Å; A287-L289 PolarHBondContact O-N 3.14Å; A287-T290 PolarHBondContact O-N 3.22Å; A287-E291 WeakPolarHBondContact O-CG 3.47Å; A287-E291 PolarHBondContact O-N 3.45Å; A287-R309 HydrophobicContact CB-CG 4Å; A287-V312 HydrophobicContact CB-CG2 4.04Å
288F85.5Confident82.9Confident86 Ų8658.4 Ų58.438%0.37731%0.309SS..Hα-helixtrans-56.3-49.8173.5174.2-103.1000112.2Y284 F285 T290 E291 M292 R309Y284-F288 PolarHBondContact O-N 3.14Å; F285-F288 WeakPolarHBondContact O-CB 3.49Å; F285-F288 PolarHBondContact O-N 3.31Å; F288-T290 VanDerWaalsContact C-N 3.31Å; F288-T290 PolarHBondContact O-N 3.28Å; F288-E291 PolarHBondContact O-N 3.42Å; F288-M292 PolarHBondContact O-N 3.11Å; F288-R309 HydrophobicContact CB-CG 4.35Å
289L84Confident81.5Confident54 Ų5462 Ų6228%0.28334%0.335SS..Hα-helixtrans-62.3-40.5177.9-67.8-179000111.6F285 V286 A287 M292 I293F285-L289 HydrophobicContact CD1-CD1 4.08Å; F285-L289 HydrophobicContact CE1-CD1 3.49Å; F285-L289 VanDerWaalsContact CE1-CD1 3.49Å; F285-L289 HydrophobicContact CE1-CG 4.14Å; F285-L289 HydrophobicContact CE2-CD2 4.46Å; F285-L289 HydrophobicContact CE2-CG 4.43Å; F285-L289 HydrophobicContact CZ-CD1 3.78Å; F285-L289 HydrophobicContact CZ-CD2 4.19Å; F285-L289 HydrophobicContact CZ-CG 4.09Å; F285-L289 WeakPolarHBondContact O-CG 3.39Å; F285-L289 PolarHBondContact O-N 2.66Å; V286-L289 PolarHBondContact O-N 2.9Å; A287-L289 PolarHBondContact O-N 3.14Å; L289-M292 HydrophobicContact CD2-CE 3.97Å; L289-M292 PolarHBondContact O-N 3.35Å; L289-I293 WeakPolarHBondContact O-CB 3.37Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.05Å
290T79.9Confident80.2Confident33 Ų3365.7 Ų65.720%0.20235%0.349CS..Hα-helixtrans-65.1-41.2179.5-52.60000111.4V286 A287 F288 H294 F303 P305V286-T290 WeakPolarHBondContact O-CB 3.39Å; V286-T290 PolarHBondContact O-N 3.46Å; V286-T290 PolarHBondContact O-OG1 2.98Å; A287-T290 PolarHBondContact O-N 3.22Å; F288-T290 VanDerWaalsContact C-N 3.31Å; F288-T290 PolarHBondContact O-N 3.28Å; T290-H294 VanDerWaalsContact O-CB 3.28Å; T290-H294 WeakPolarHBondContact O-CB 3.34Å; T290-H294 PolarHBondContact O-N 3.34Å; T290-F303 HydrophobicContact CG2-CE2 3.94Å; T290-F303 HydrophobicContact CG2-CZ 4.45Å; T290-P305 HydrophobicContact CG2-CB 3.69Å; T290-P305 HydrophobicContact CG2-CG 4.17Å
291E78.9Confident78.4Confident29 Ų2971 Ų7114%0.13637%0.367CS..Hα-helixtrans-62.4-45173-74.6173.8-166.200111.6A287 F288 I293 H294 H295 T308 R309A287-E291 WeakPolarHBondContact O-CG 3.47Å; A287-E291 PolarHBondContact O-N 3.45Å; F288-E291 PolarHBondContact O-N 3.42Å; E291-I293 PolarHBondContact O-N 3.4Å; E291-H294 PolarHBondContact O-N 2.8Å; E291-H295 PolarHBondContact O-CD2 3.47Å; E291-H295 PolarHBondContact O-N 2.94Å; E291-T308 WeakPolarHBondContact OE1-CA 3.47Å; E291-T308 VanDerWaalsContact OE1-CB 3.29Å; E291-T308 WeakPolarHBondContact OE1-CB 3.1Å; E291-R309 PolarHBondContact OE1-N 3.45Å; E291-R309 IonicContact OE1-NE 2.74Å; E291-R309 IonicContact OE2-CZ 3.93Å; E291-R309 VanDerWaalsContact OE2-CZ 3.28Å; E291-R309 IonicContact OE2-NE 3.05Å; E291-R309 PolarHBondContact OE2-NE 3.28Å; E291-R309 IonicContact OE2-NH2 3.68Å; E291-R309 PolarHBondContact OE2-NH2 2.89Å
292M79.4Confident76.7Confident85 Ų8572.2 Ų72.242%0.41937%0.366SS..Hα-helixtrans-60.6-46.6177.1-176.5-177.370.400111.8F288 L289 H294 H295 L296F288-M292 PolarHBondContact O-N 3.11Å; L289-M292 HydrophobicContact CD2-CE 3.97Å; L289-M292 PolarHBondContact O-N 3.35Å; M292-H294 VanDerWaalsContact C-N 3.32Å; M292-H294 PolarHBondContact O-N 3.47Å; M292-H295 PolarHBondContact O-N 3.07Å; M292-L296 HydrophobicContact CG-CD1 4.36Å; M292-L296 WeakPolarHBondContact O-CG 3.12Å; M292-L296 PolarHBondContact O-N 3.19Å; M292-L296 VanDerWaalsContact O-N 3.09Å
293I79.1Confident75.5Confident73 Ų7372.9 Ų72.937%0.37437%0.368SS..Hα-helixtrans-61.9-43176.2-67.5165.3000110.2L289 E291 H295 L296 I297 F303L289-I293 WeakPolarHBondContact O-CB 3.37Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.05Å; E291-I293 PolarHBondContact O-N 3.4Å; I293-H295 VanDerWaalsContact C-N 3.31Å; I293-H295 PolarHBondContact O-N 2.95Å; I293-L296 PolarHBondContact O-N 2.92Å; I293-I297 HydrophobicContact CG2-CD1 3.67Å; I293-I297 HydrophobicContact CG2-CG1 4.25Å; I293-I297 WeakPolarHBondContact O-CB 3.36Å; I293-I297 PolarHBondContact O-N 3.42Å; I293-F303 HydrophobicContact CB-CZ 4.43Å; I293-F303 HydrophobicContact CG2-CE1 4.03Å; I293-F303 HydrophobicContact CG2-CZ 3.86Å
294H73.4Confident74.1Confident15 Ų1577 Ų777%0.06939%0.387CS..Hα-helixtrans-62.3-38.5176.5-176.183.4000111.8L86 T290 E291 M292 L296 G298 F303 P305L86-H294 WeakPolarHBondContact CD1-NE2 3.23Å; T290-H294 VanDerWaalsContact O-CB 3.28Å; T290-H294 WeakPolarHBondContact O-CB 3.34Å; T290-H294 PolarHBondContact O-N 3.34Å; E291-H294 PolarHBondContact O-N 2.8Å; M292-H294 VanDerWaalsContact C-N 3.32Å; M292-H294 PolarHBondContact O-N 3.47Å; H294-L296 VanDerWaalsContact C-N 3.32Å; H294-L296 PolarHBondContact O-N 2.95Å; H294-G298 WeakPolarHBondContact O-CA 3.46Å; H294-G298 PolarHBondContact O-N 3.43Å; H294-F303 HydrophobicContact CB-CE1 4.27Å; H294-F303 HydrophobicContact CB-CZ 4.04Å; H294-F303 PolarHBondContact CE1-O 3.46Å; H294-F303 VanDerWaalsContact CE1-O 3.3Å; H294-F303 PolarHBondContact ND1-O 3.47Å; H294-P305 HydrophobicContact CB-CG 4.31Å
295H72.4Confident73.1Confident132 Ų13274.9 Ų74.961%0.61138%0.381SS*.Hα-helixtrans-64.1-35.7174.4-77.3-58.5000113.2E291 M292 I293E291-H295 PolarHBondContact O-CD2 3.47Å; E291-H295 PolarHBondContact O-N 2.94Å; M292-H295 PolarHBondContact O-N 3.07Å; I293-H295 VanDerWaalsContact C-N 3.31Å; I293-H295 PolarHBondContact O-N 2.95Å
296L73.8Confident72.2Confident124 Ų12475.8 Ų75.865%0.64939%0.389SS*.Hα-helixtrans-78.1-42.2-179.7-67.4170.4000112.8M292 I293 H294M292-L296 HydrophobicContact CG-CD1 4.36Å; M292-L296 WeakPolarHBondContact O-CG 3.12Å; M292-L296 PolarHBondContact O-N 3.19Å; M292-L296 VanDerWaalsContact O-N 3.09Å; I293-L296 PolarHBondContact O-N 2.92Å; H294-L296 VanDerWaalsContact C-N 3.32Å; H294-L296 PolarHBondContact O-N 2.95Å
297I74.8Confident71.7Confident75 Ų7575 Ų7539%0.38538%0.382SS..Hα-helixtrans-103.5-23.1-169.9-53.7-177.9000111.9I293 P299 I300 Y301I293-I297 HydrophobicContact CG2-CD1 3.67Å; I293-I297 HydrophobicContact CG2-CG1 4.25Å; I293-I297 WeakPolarHBondContact O-CB 3.36Å; I293-I297 PolarHBondContact O-N 3.42Å; I297-P299 VanDerWaalsContact C-N 3.3Å; I297-P299 VanDerWaalsContact O-N 3.15Å; I297-I300 CarbonylContact O-C 3.56Å; I297-I300 WeakPolarHBondContact O-CA 3.25Å; I297-I300 PolarHBondContact O-N 3.48Å; I297-Y301 PolarHBondContact O-N 2.74Å
298G60.6Low71.5Confident19 Ų1975.7 Ų75.720%0.19639%0.386CS..THydrogen-bonded Turntrans-51.5-35.1-177.100000115.9H294 I300H294-G298 WeakPolarHBondContact O-CA 3.46Å; H294-G298 PolarHBondContact O-N 3.43Å; G298-I300 PolarHBondContact O-N 3.28Å
299P64Low71.5Confident115 Ų11575.5 Ų75.575%0.74738%0.383SS*.THydrogen-bonded Turntrans-63.2-22172.4-24.935.7000114.5I297I297-P299 VanDerWaalsContact C-N 3.3Å; I297-P299 VanDerWaalsContact O-N 3.15Å
300I65.6Low71.5Confident154 Ų15473.3 Ų73.379%0.7937%0.371SS*.THydrogen-bonded Turntrans-110.2-37-173.7-52.7174.4000111.1I297 G298I297-I300 CarbonylContact O-C 3.56Å; I297-I300 WeakPolarHBondContact O-CA 3.25Å; I297-I300 PolarHBondContact O-N 3.48Å; G298-I300 PolarHBondContact O-N 3.28Å
301Y53.6Low71.8Confident157 Ų15772.8 Ų72.862%0.61637%0.367SS*.  trans-139.4113.6179.9-174.7-104.2000111.2I297 F303I297-Y301 PolarHBondContact O-N 2.74Å; Y301-F303 HydrophobicContact CD1-CB 3.98Å; Y301-F303 HydrophobicContact CD1-CD1 4.09Å; Y301-F303 HydrophobicContact CD1-CG 4.47Å; Y301-F303 HydrophobicContact CE1-CB 3.76Å; Y301-F303 PolarHBondContact O-N 2.91Å; Y301-F303 VanDerWaalsContact O-N 3.12Å
302N55.7Low72.2Confident115 Ų11571.4 Ų71.462%0.61536%0.36SS*.  trans-85.684.8-175.2-172.816.3000111.3
303F65.6Low72.7Confident55 Ų5570.3 Ų70.324%0.24135%0.352CS..PPolyproline II helixtrans-103.4139.3169.481-83.4000111T290 I293 H294 Y301T290-F303 HydrophobicContact CG2-CE2 3.94Å; T290-F303 HydrophobicContact CG2-CZ 4.45Å; I293-F303 HydrophobicContact CB-CZ 4.43Å; I293-F303 HydrophobicContact CG2-CE1 4.03Å; I293-F303 HydrophobicContact CG2-CZ 3.86Å; H294-F303 HydrophobicContact CB-CE1 4.27Å; H294-F303 HydrophobicContact CB-CZ 4.04Å; H294-F303 PolarHBondContact CE1-O 3.46Å; H294-F303 VanDerWaalsContact CE1-O 3.3Å; H294-F303 PolarHBondContact ND1-O 3.47Å; Y301-F303 HydrophobicContact CD1-CB 3.98Å; Y301-F303 HydrophobicContact CD1-CD1 4.09Å; Y301-F303 HydrophobicContact CD1-CG 4.47Å; Y301-F303 HydrophobicContact CE1-CB 3.76Å; Y301-F303 PolarHBondContact O-N 2.91Å; Y301-F303 VanDerWaalsContact O-N 3.12Å
304Q62.7Low73.2Confident97 Ų9768.7 Ų68.745%0.45334%0.342SS..PPolyproline II helixtrans-86.1122.9177.7-176.2170.9-12.300109.9
305P67Low74.1Confident20 Ų2069.2 Ų69.213%0.1335%0.346CS..PPolyproline II helixtrans-53.7140.9171.7-26.935.9000111.5T290 H294T290-P305 HydrophobicContact CG2-CB 3.69Å; T290-P305 HydrophobicContact CG2-CG 4.17Å; H294-P305 HydrophobicContact CB-CG 4.31Å
306L68.9Low75Confident88 Ų8863.1 Ų63.146%0.46132%0.319SS..SBendtrans-64.5-44.1176.2-71.7174.1000111.1R195 Y199 I204R195-L306 PolarHBondContact NH2-O 3.29Å; Y199-L306 HydrophobicContact CD1-CD2 4.05Å; Y199-L306 HydrophobicContact CE1-CD2 3.42Å; Y199-L306 VanDerWaalsContact CE1-CD2 3.42Å; Y199-L306 PolarHBondContact OH-O 3.03Å; I204-L306 HydrophobicContact CG2-CD1 4.13Å; I204-L306 HydrophobicContact CG2-CD2 4.2Å
307L75.8Confident76Confident47 Ų4757.9 Ų57.925%0.24629%0.292CS..  trans-142.1136.9177.1-72.5166.9000109.5Y209 I283 E311 V312Y209-L307 HydrophobicContact CE1-CD1 3.64Å; I283-L307 HydrophobicContact CG2-CD1 4.07Å; L307-E311 VanDerWaalsContact CA-OE2 3.32Å; L307-E311 WeakPolarHBondContact CA-OE2 2.89Å; L307-E311 HydrophobicContact CD2-CB 4.1Å; L307-V312 HydrophobicContact CB-CG2 4.28Å
308T81.8Confident77.1Confident17 Ų1755.2 Ų55.210%0.10428%0.28CS..  trans-91.1160.516667.10000110.9E291 T310 E311 V312E291-T308 WeakPolarHBondContact OE1-CA 3.47Å; E291-T308 VanDerWaalsContact OE1-CB 3.29Å; E291-T308 WeakPolarHBondContact OE1-CB 3.1Å; T308-T310 PolarHBondContact O-N 2.88Å; T308-E311 PolarHBondContact N-OE2 3.35Å; T308-E311 WeakPolarHBondContact O-CB 3.29Å; T308-E311 PolarHBondContact O-N 2.74Å; T308-E311 WeakPolarHBondContact OG1-CG 3.3Å; T308-E311 PolarHBondContact OG1-N 3.07Å; T308-V312 WeakPolarHBondContact O-CG2 3.48Å; T308-V312 PolarHBondContact O-N 3.49Å
309R84.4Confident78.9Confident82 Ų8254.6 Ų54.631%0.30927%0.272SS..Hα-helixtrans-55.4-38.6175.4-75.7-174.8-70.81621111.8Y284 A287 F288 E291 V312 Y313Y284-R309 HydrophobicContact CD2-CB 4.12Å; Y284-R309 HydrophobicContact CD2-CG 4.02Å; Y284-R309 HydrophobicContact CE1-CG 4.39Å; Y284-R309 HydrophobicContact CE2-CB 3.6Å; Y284-R309 HydrophobicContact CE2-CG 3.67Å; Y284-R309 VanDerWaalsContact CZ-CD 3.43Å; Y284-R309 WeakPolarHBondContact OH-CD 3.45Å; A287-R309 HydrophobicContact CB-CG 4Å; F288-R309 HydrophobicContact CB-CG 4.35Å; E291-R309 PolarHBondContact OE1-N 3.45Å; E291-R309 IonicContact OE1-NE 2.74Å; E291-R309 IonicContact OE2-CZ 3.93Å; E291-R309 VanDerWaalsContact OE2-CZ 3.28Å; E291-R309 IonicContact OE2-NE 3.05Å; E291-R309 PolarHBondContact OE2-NE 3.28Å; E291-R309 IonicContact OE2-NH2 3.68Å; E291-R309 PolarHBondContact OE2-NH2 2.89Å; R309-V312 WeakPolarHBondContact O-CB 3.4Å; R309-V312 PolarHBondContact O-N 3.26Å; R309-Y313 PolarHBondContact O-N 3.43Å; R309-Y313 VanDerWaalsContact O-N 3.12Å
310T83.4Confident80.5Confident7 Ų752.1 Ų52.14%0.04325%0.248CC..Hα-helixtrans-59.8-47.2173.3-60.60000112.2P145 D146 T308 V312 Y313 K314P145-T310 HydrophobicContact CB-CG2 4.44Å; P145-T310 WeakPolarHBondContact CB-OG1 3.42Å; P145-T310 HydrophobicContact CG-CG2 4.08Å; P145-T310 PolarHBondContact O-OG1 3.29Å; P145-T310 VanDerWaalsContact O-OG1 3.14Å; D146-T310 HydrophobicContact CB-CG2 4.01Å; D146-T310 WeakPolarHBondContact OD2-CG2 3.49Å; T308-T310 PolarHBondContact O-N 2.88Å; T310-V312 VanDerWaalsContact C-N 3.28Å; T310-V312 PolarHBondContact O-N 2.95Å; T310-Y313 PolarHBondContact O-N 3.18Å; T310-K314 HydrophobicContact CG2-CD 3.98Å; T310-K314 WeakPolarHBondContact O-CG 3.41Å; T310-K314 PolarHBondContact O-N 3.34Å
311E86.3Confident82Confident23 Ų2345.5 Ų45.511%0.10721%0.213CC..Hα-helixtrans-63.9-35.3177.8-71.8172.3151.800111.4R195 L307 T308 K314 T315R195-E311 IonicContact CZ-OE1 3.79Å; R195-E311 IonicContact NH1-OE1 3.06Å; R195-E311 PolarHBondContact NH1-OE1 3.26Å; R195-E311 IonicContact NH2-OE1 2.86Å; R195-E311 PolarHBondContact NH2-OE1 3.48Å; R195-E311 IonicContact NH2-OE2 2.67Å; R195-E311 PolarHBondContact NH2-OE2 3.15Å; L307-E311 VanDerWaalsContact CA-OE2 3.32Å; L307-E311 WeakPolarHBondContact CA-OE2 2.89Å; L307-E311 HydrophobicContact CD2-CB 4.1Å; T308-E311 PolarHBondContact N-OE2 3.35Å; T308-E311 WeakPolarHBondContact O-CB 3.29Å; T308-E311 PolarHBondContact O-N 2.74Å; T308-E311 WeakPolarHBondContact OG1-CG 3.3Å; T308-E311 PolarHBondContact OG1-N 3.07Å; E311-K314 PolarHBondContact O-N 3.11Å; E311-T315 WeakPolarHBondContact O-CB 3.43Å; E311-T315 WeakPolarHBondContact O-CG2 3.39Å; E311-T315 PolarHBondContact O-N 3.2Å; E311-T315 VanDerWaalsContact O-N 3.15Å; E311-T315 PolarHBondContact O-OG1 3.23Å
312V88.8Confident84.2Confident0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-62.8-45175.6175.90000111.3Y209 L280 I283 Y284 A287 L307 T308 R309 T310 T315 G316Y209-V312 HydrophobicContact CE2-CG1 4.11Å; L280-V312 HydrophobicContact CD1-CG1 3.53Å; L280-V312 HydrophobicContact CG-CG1 4.21Å; I283-V312 HydrophobicContact CG2-CG1 4.31Å; I283-V312 HydrophobicContact CG2-CG2 3.71Å; Y284-V312 HydrophobicContact CD2-CG1 4.45Å; A287-V312 HydrophobicContact CB-CG2 4.04Å; L307-V312 HydrophobicContact CB-CG2 4.28Å; T308-V312 WeakPolarHBondContact O-CG2 3.48Å; T308-V312 PolarHBondContact O-N 3.49Å; R309-V312 WeakPolarHBondContact O-CB 3.4Å; R309-V312 PolarHBondContact O-N 3.26Å; T310-V312 VanDerWaalsContact C-N 3.28Å; T310-V312 PolarHBondContact O-N 2.95Å; V312-T315 PolarHBondContact O-N 3.04Å; V312-T315 PolarHBondContact O-OG1 3.23Å; V312-G316 WeakPolarHBondContact O-CA 3.35Å; V312-G316 PolarHBondContact O-N 2.73Å
313Y89.7Confident86.2Confident62 Ų6235 Ų3524%0.24317%0.171CC..Hα-helixtrans-66.3-44.4175.8-70.5-32.4000112.6Y284 R309 T310 T315 G316 V317Y284-Y313 HydrophobicContact CD2-CD1 4.37Å; Y284-Y313 AromaticContact CD2-CE1 3.74Å; Y284-Y313 HydrophobicContact CD2-CE1 3.74Å; Y284-Y313 HydrophobicContact CD2-CE2 4.31Å; Y284-Y313 AromaticContact CD2-CZ 3.72Å; Y284-Y313 HydrophobicContact CE2-CD1 4.44Å; Y284-Y313 HydrophobicContact CE2-CD2 4.24Å; Y284-Y313 AromaticContact CE2-CE1 3.7Å; Y284-Y313 HydrophobicContact CE2-CE1 3.7Å; Y284-Y313 AromaticContact CE2-CE2 3.48Å; Y284-Y313 HydrophobicContact CE2-CE2 3.48Å; Y284-Y313 VanDerWaalsContact CE2-CE2 3.48Å; Y284-Y313 AromaticContact CE2-CZ 3.16Å; Y284-Y313 WeakPolarHBondContact CE2-OH 3.45Å; Y284-Y313 AromaticContact CZ-CZ 3.8Å; Y284-Y313 VanDerWaalsContact CZ-OH 3.3Å; Y284-Y313 PolarHBondContact OH-OH 3.11Å; R309-Y313 PolarHBondContact O-N 3.43Å; R309-Y313 VanDerWaalsContact O-N 3.12Å; T310-Y313 PolarHBondContact O-N 3.18Å; Y313-T315 PolarHBondContact O-N 2.89Å; Y313-T315 VanDerWaalsContact O-N 3.12Å; Y313-G316 PolarHBondContact O-N 3.08Å; Y313-V317 HydrophobicContact CD1-CG2 3.85Å; Y313-V317 WeakPolarHBondContact O-CB 2.8Å; Y313-V317 PolarHBondContact O-N 3.01Å; Y313-V317 VanDerWaalsContact O-N 3.1Å
314K89.3Confident87.7Confident39 Ų3935.3 Ų35.317%0.1718%0.183CC..Hα-helixtrans-64.2-15.4179.5-71178.4-171.8-179.10114.2N121 F124 D146 T310 E311 H319N121-K314 PolarHBondContact ND2-NZ 3.18Å; N121-K314 WeakPolarHBondContact OD1-CE 3.43Å; N121-K314 PolarHBondContact OD1-NZ 3.21Å; F124-K314 HydrophobicContact CE1-CG 3.95Å; D146-K314 IonicContact OD2-NZ 2.7Å; D146-K314 PolarHBondContact OD2-NZ 3.34Å; T310-K314 HydrophobicContact CG2-CD 3.98Å; T310-K314 WeakPolarHBondContact O-CG 3.41Å; T310-K314 PolarHBondContact O-N 3.34Å; E311-K314 PolarHBondContact O-N 3.11Å; K314-H319 PolarHBondContact O-CE1 3.25Å
315T91.8Very high89.4Confident25 Ų2532.6 Ų32.615%0.15317%0.17CC..Hα-helixtrans-117.4-19.9-178.656.50000113.3Y209 N258 E311 V312 Y313Y209-T315 PolarHBondContact OH-OG1 3.36Å; N258-T315 VanDerWaalsContact CB-O 3.31Å; N258-T315 WeakPolarHBondContact CB-O 3.29Å; N258-T315 WeakPolarHBondContact ND2-CB 3.44Å; E311-T315 WeakPolarHBondContact O-CB 3.43Å; E311-T315 WeakPolarHBondContact O-CG2 3.39Å; E311-T315 PolarHBondContact O-N 3.2Å; E311-T315 VanDerWaalsContact O-N 3.15Å; E311-T315 PolarHBondContact O-OG1 3.23Å; V312-T315 PolarHBondContact O-N 3.04Å; V312-T315 PolarHBondContact O-OG1 3.23Å; Y313-T315 PolarHBondContact O-N 2.89Å; Y313-T315 VanDerWaalsContact O-N 3.12Å
316G91.8Very high90.9Very high4 Ų431.6 Ų31.64%0.04116%0.163CC..Hα-helixtrans-111.3-14.7-173.600000115.7V312 Y313V312-G316 WeakPolarHBondContact O-CA 3.35Å; V312-G316 PolarHBondContact O-N 2.73Å; Y313-G316 PolarHBondContact O-N 3.08Å
317V95Very high92.3Very high15 Ų1532.6 Ų32.69%0.09116%0.164CC..SBendtrans-107.4138.2-179.9178.90000110.3F124 V128 L280 Y313 H319F124-V317 HydrophobicContact CE2-CG1 4.42Å; F124-V317 HydrophobicContact CZ-CB 4.45Å; V128-V317 HydrophobicContact CG2-CG1 3.88Å; L280-V317 HydrophobicContact CD2-CG2 3.88Å; Y313-V317 HydrophobicContact CD1-CG2 3.85Å; Y313-V317 WeakPolarHBondContact O-CB 2.8Å; Y313-V317 PolarHBondContact O-N 3.01Å; Y313-V317 VanDerWaalsContact O-N 3.1Å; V317-H319 PolarHBondContact O-N 3.21Å; V317-H319 PolarHBondContact O-ND1 2.7Å
318T97.8Very high93.4Very high19 Ų1933.8 Ų33.812%0.11718%0.181CC..  trans-63.5122.1176.9-59.80000111.4V128 I129 E130 S214 L215 Y320V128-T318 WeakPolarHBondContact CA-O 3.39Å; I129-T318 PolarHBondContact N-O 2.8Å; E130-T318 HydrophobicContact CG-CG2 3.83Å; S214-T318 WeakPolarHBondContact CA-OG1 3.32Å; L215-T318 HydrophobicContact CB-CG2 4.27Å; L215-T318 PolarHBondContact N-OG1 2.67Å; L215-T318 CarbonylContact O-C 3.5Å; L215-T318 VanDerWaalsContact O-CA 3.24Å; L215-T318 WeakPolarHBondContact O-CA 3.46Å; T318-Y320 HydrophobicContact CG2-CD1 4.02Å; T318-Y320 HydrophobicContact CG2-CE1 4.08Å
319H97.5Very high94.2Very high6 Ų635.5 Ų35.53%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-151.7118.8170.558.3-70.4000109.8F120 F124 I129 L215 V216 K314 V317F120-H319 AromaticContact CD2-CD2 3.91Å; F120-H319 AromaticContact CE2-CD2 3.36Å; F120-H319 WeakPolarHBondContact CE2-CD2 3.5Å; F120-H319 AromaticContact CE2-NE2 3.47Å; F120-H319 WeakPolarHBondContact CE2-NE2 3.38Å; F120-H319 AromaticContact CZ-CD2 3.83Å; F120-H319 AromaticContact CZ-NE2 3.53Å; F124-H319 HydrophobicContact CD2-CB 3.8Å; F124-H319 HydrophobicContact CE2-CB 3.69Å; F124-H319 AromaticContact CE2-CG 3.74Å; F124-H319 AromaticContact CE2-ND1 3.87Å; F124-H319 HydrophobicContact CZ-CB 4.43Å; F124-H319 AromaticContact CZ-CG 3.99Å; F124-H319 AromaticContact CZ-ND1 3.76Å; I129-H319 HydrophobicContact CB-CB 4.29Å; I129-H319 WeakPolarHBondContact O-CA 3.3Å; L215-H319 PolarHBondContact O-N 3.04Å; V216-H319 WeakPolarHBondContact CA-O 3.4Å; V216-H319 WeakPolarHBondContact CG1-CE1 3.39Å; K314-H319 PolarHBondContact O-CE1 3.25Å; V317-H319 PolarHBondContact O-N 3.21Å; V317-H319 PolarHBondContact O-ND1 2.7Å
320Y97.8Very high94.9Very high63 Ų6332.2 Ų32.225%0.24718%0.176CC..EExtended strand (participates in β ladder)trans-149155.7171.667.1-87.9000110I129 E130 G131 G132 L215 E217 P255 T318I129-Y320 PolarHBondContact O-N 3.21Å; E130-Y320 HydrophobicContact CB-CE1 3.77Å; E130-Y320 HydrophobicContact CG-CE1 3.87Å; G131-Y320 VanDerWaalsContact CA-CE2 3.5Å; G131-Y320 PolarHBondContact N-O 3.01Å; G132-Y320 PolarHBondContact N-O 2.76Å; L215-Y320 HydrophobicContact CB-CD1 4.37Å; E217-Y320 VanDerWaalsContact OE2-CA 3.31Å; E217-Y320 WeakPolarHBondContact OE2-CA 3.34Å; E217-Y320 WeakPolarHBondContact OE2-CB 3.45Å; P255-Y320 HydrophobicContact CB-CD1 4.35Å; P255-Y320 HydrophobicContact CB-CD2 4.43Å; P255-Y320 HydrophobicContact CB-CG 4.07Å; P255-Y320 HydrophobicContact CG-CD2 3.77Å; P255-Y320 HydrophobicContact CG-CE2 4.39Å; P255-Y320 HydrophobicContact CG-CG 3.86Å; T318-Y320 HydrophobicContact CG2-CD1 4.02Å; T318-Y320 HydrophobicContact CG2-CE1 4.08Å
321F98.3Very high95.6Very high14 Ų1434.2 Ų34.26%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-127.9149.8-166.9-57.2-87.4000112.1F120 V123 I129 G132 L136 E217 F249F120-F321 HydrophobicContact CB-CD2 4.06Å; F120-F321 HydrophobicContact CB-CE2 3.5Å; F120-F321 VanDerWaalsContact CB-CE2 3.5Å; F120-F321 HydrophobicContact CB-CZ 3.91Å; F120-F321 AromaticContact CD2-CE2 3.83Å; F120-F321 HydrophobicContact CD2-CE2 3.83Å; F120-F321 HydrophobicContact CD2-CZ 4.17Å; F120-F321 AromaticContact CG-CE2 3.8Å; F120-F321 HydrophobicContact CG-CE2 3.8Å; F120-F321 HydrophobicContact CG-CZ 4.39Å; V123-F321 HydrophobicContact CG2-CE1 3.55Å; V123-F321 HydrophobicContact CG2-CZ 3.92Å; I129-F321 HydrophobicContact CD1-CE1 3.9Å; I129-F321 HydrophobicContact CD1-CZ 3.95Å; I129-F321 HydrophobicContact CG2-CD1 4.23Å; I129-F321 HydrophobicContact CG2-CE1 3.83Å; I129-F321 HydrophobicContact CG2-CZ 4.38Å; G132-F321 CarbonylContact O-C 3.55Å; G132-F321 WeakPolarHBondContact O-CA 3.25Å; G132-F321 VanDerWaalsContact O-CB 3.3Å; G132-F321 WeakPolarHBondContact O-CB 3.32Å; L136-F321 HydrophobicContact CD1-CD1 4.16Å; L136-F321 HydrophobicContact CD1-CE1 3.9Å; E217-F321 PolarHBondContact OE2-N 2.93Å; F249-F321 HydrophobicContact CB-CB 3.78Å; F249-F321 HydrophobicContact CD1-CB 3.72Å; F249-F321 AromaticContact CD1-CD1 3.82Å; F249-F321 HydrophobicContact CD1-CD1 3.82Å; F249-F321 AromaticContact CD1-CD2 3.98Å; F249-F321 HydrophobicContact CD1-CD2 3.98Å; F249-F321 HydrophobicContact CD1-CE1 4.46Å; F249-F321 AromaticContact CD1-CG 3.54Å; F249-F321 HydrophobicContact CD1-CG 3.54Å; F249-F321 HydrophobicContact CD2-CB 3.91Å; F249-F321 HydrophobicContact CD2-CD1 4.17Å; F249-F321 HydrophobicContact CD2-CG 4.27Å; F249-F321 HydrophobicContact CE1-CB 4.25Å; F249-F321 AromaticContact CE1-CD1 3.43Å; F249-F321 HydrophobicContact CE1-CD1 3.43Å; F249-F321 VanDerWaalsContact CE1-CD1 3.43Å; F249-F321 HydrophobicContact CE1-CD2 4.1Å; F249-F321 AromaticContact CE1-CE1 3.71Å; F249-F321 HydrophobicContact CE1-CE1 3.71Å; F249-F321 HydrophobicContact CE1-CE2 4.35Å; F249-F321 AromaticContact CE1-CG 3.65Å; F249-F321 HydrophobicContact CE1-CG 3.65Å; F249-F321 HydrophobicContact CE1-CZ 4.16Å; F249-F321 HydrophobicContact CE2-CB 4.44Å; F249-F321 AromaticContact CE2-CD1 3.83Å; F249-F321 HydrophobicContact CE2-CD1 3.83Å; F249-F321 HydrophobicContact CE2-CG 4.36Å; F249-F321 HydrophobicContact CG-CB 3.52Å; F249-F321 HydrophobicContact CG-CD1 4.17Å; F249-F321 AromaticContact CG-CG 3.87Å; F249-F321 HydrophobicContact CG-CG 3.87Å; F249-F321 AromaticContact CZ-CD1 3.44Å; F249-F321 HydrophobicContact CZ-CD1 3.44Å; F249-F321 VanDerWaalsContact CZ-CD1 3.44Å; F249-F321 AromaticContact CZ-CE1 3.76Å; F249-F321 HydrophobicContact CZ-CE1 3.76Å; F249-F321 HydrophobicContact CZ-CG 4.07Å
322S98.1Very high96.1Very high39 Ų3933.2 Ų33.227%0.27319%0.193SC..  trans-73.5130.6174.4-177.50000110.3G132 A324G132-S322 PolarHBondContact O-N 3.32Å; S322-A324 VanDerWaalsContact OG-CB 3.31Å; S322-A324 WeakPolarHBondContact OG-CB 3.47Å; S322-A324 PolarHBondContact OG-N 3.18Å
323M97.7Very high96.6Very high14 Ų1440.3 Ų40.37%0.06923%0.226CC..  trans-96.413.1169.9-57.7-174.7-63.700112.5S251 K325 A326 K327 Y332 P334S251-M323 VanDerWaalsContact C-SD 3.57Å; S251-M323 PolarHBondContact N-SD 2.95Å; S251-M323 VanDerWaalsContact N-SD 3.39Å; S251-M323 PolarHBondContact OG-SD 2.83Å; M323-K325 PolarHBondContact O-N 3.39Å; M323-A326 PolarHBondContact O-N 2.86Å; M323-K327 WeakPolarHBondContact O-CG 3.42Å; M323-K327 PolarHBondContact O-N 3.33Å; M323-Y332 HydrophobicContact SD-CD1 4.27Å; M323-Y332 HydrophobicContact SD-CE1 3.74Å; M323-P334 HydrophobicContact CE-CG 4.17Å
324A98.4Very high96.9Very high60 Ų6038.9 Ų38.950%0.49623%0.225SC..Hα-helixtrans-57-40.4-174.700000111.9S322 K327 A328S322-A324 VanDerWaalsContact OG-CB 3.31Å; S322-A324 WeakPolarHBondContact OG-CB 3.47Å; S322-A324 PolarHBondContact OG-N 3.18Å; A324-K327 PolarHBondContact O-N 2.87Å; A324-A328 WeakPolarHBondContact O-CB 3.5Å; A324-A328 PolarHBondContact O-N 3.06Å
325K98.6Very high97.3Very high40 Ų4042.8 Ų42.817%0.17424%0.244CC..Hα-helixtrans-67.3-45.3177.3-164.3-169.7176.9-175.30112.5E134 A247 Y248 M323 K327 A328 E329E134-K325 HydrophobicContact CB-CD 4.23Å; E134-K325 HydrophobicContact CG-CD 3.93Å; E134-K325 WeakPolarHBondContact OE2-CB 3.36Å; A247-K325 PolarHBondContact O-NZ 2.89Å; A247-K325 VanDerWaalsContact O-NZ 3.09Å; Y248-K325 HydrophobicContact CD1-CB 4.35Å; Y248-K325 HydrophobicContact CD1-CD 3.98Å; Y248-K325 HydrophobicContact CD1-CG 4.01Å; Y248-K325 HydrophobicContact CE1-CD 3.9Å; Y248-K325 HydrophobicContact CE1-CG 3.82Å; M323-K325 PolarHBondContact O-N 3.39Å; K325-K327 VanDerWaalsContact C-N 3.3Å; K325-K327 PolarHBondContact O-N 2.92Å; K325-A328 PolarHBondContact O-N 3.12Å; K325-E329 WeakPolarHBondContact CE-OE1 3.48Å; K325-E329 WeakPolarHBondContact CE-OE2 3.39Å; K325-E329 HydrophobicContact CG-CG 4.37Å; K325-E329 WeakPolarHBondContact O-CB 3.31Å; K325-E329 PolarHBondContact O-N 2.97Å
326A98.6Very high97.5Very high0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-60.2-40.7176.100000111.7Y248 I250 M323 L330 G331 Y332Y248-A326 HydrophobicContact CD1-CB 4.22Å; I250-A326 HydrophobicContact CD1-CB 3.89Å; M323-A326 PolarHBondContact O-N 2.86Å; A326-L330 WeakPolarHBondContact O-CA 3.34Å; A326-L330 WeakPolarHBondContact O-CB 3.5Å; A326-L330 PolarHBondContact O-N 3.11Å; A326-G331 PolarHBondContact O-N 3.04Å; A326-Y332 HydrophobicContact CB-CD1 4.13Å; A326-Y332 PolarHBondContact O-N 3.45Å
327K98.4Very high97.6Very high108 Ų10852 Ų5247%0.4728%0.281SS..Hα-helixtrans-61.6-51.2173.4-76.3175.9177.9-168.30112M323 A324 K325 G331 Y332M323-K327 WeakPolarHBondContact O-CG 3.42Å; M323-K327 PolarHBondContact O-N 3.33Å; A324-K327 PolarHBondContact O-N 2.87Å; K325-K327 VanDerWaalsContact C-N 3.3Å; K325-K327 PolarHBondContact O-N 2.92Å; K327-G331 VanDerWaalsContact O-CA 3.25Å; K327-G331 WeakPolarHBondContact O-CA 3.42Å; K327-G331 PolarHBondContact O-N 2.95Å; K327-G331 VanDerWaalsContact O-N 3.1Å; K327-Y332 WeakPolarHBondContact CG-O 3.37Å
328A98.2Very high97.5Very high73 Ų7355 Ų5560%0.60330%0.297SS*.Hα-helixtrans-68.7-40.7-174.900000113.2R242 A324 K325R242-A328 PolarHBondContact NH1-O 3.14Å; A324-A328 WeakPolarHBondContact O-CB 3.5Å; A324-A328 PolarHBondContact O-N 3.06Å; K325-A328 PolarHBondContact O-N 3.12Å
329E98.3Very high97.4Very high53 Ų5354.3 Ų54.325%0.24829%0.293CS..Hα-helixtrans-95.7-38.6-172.1-65.3-179.3-165.600112.9R242 Y248 K325R242-E329 VanDerWaalsContact CD-O 3.27Å; R242-E329 WeakPolarHBondContact CD-O 3.42Å; R242-E329 HydrophobicContact CG-CB 4.04Å; R242-E329 HydrophobicContact CG-CG 4.19Å; Y248-E329 HydrophobicContact CE1-CB 3.89Å; Y248-E329 HydrophobicContact CE1-CG 4.47Å; Y248-E329 WeakPolarHBondContact CE1-OE2 3.35Å; Y248-E329 VanDerWaalsContact CZ-OE2 3.26Å; Y248-E329 PolarHBondContact OH-OE2 3.43Å; K325-E329 WeakPolarHBondContact CE-OE1 3.48Å; K325-E329 WeakPolarHBondContact CE-OE2 3.39Å; K325-E329 HydrophobicContact CG-CG 4.37Å; K325-E329 WeakPolarHBondContact O-CB 3.31Å; K325-E329 PolarHBondContact O-N 2.97Å
330L98.4Very high97.3Very high13 Ų1360.3 Ų60.37%0.06832%0.321CS..Hα-helixtrans-98.9-13.1-177.9-48-177.4000113.1L179 L230 A231 A234 Y248 A326 Y332L179-L330 HydrophobicContact CD2-CD1 4.23Å; L230-L330 HydrophobicContact CB-CB 4.21Å; A231-L330 HydrophobicContact CB-CD1 4.25Å; A234-L330 HydrophobicContact CB-CD2 3.63Å; Y248-L330 HydrophobicContact CD1-CD1 4.15Å; Y248-L330 HydrophobicContact CD1-CG 4.26Å; Y248-L330 HydrophobicContact CD2-CD1 3.89Å; Y248-L330 HydrophobicContact CD2-CD2 4.5Å; Y248-L330 HydrophobicContact CD2-CG 4.47Å; Y248-L330 HydrophobicContact CE1-CD1 4.4Å; Y248-L330 HydrophobicContact CE1-CD2 4.26Å; Y248-L330 HydrophobicContact CE1-CG 4.08Å; Y248-L330 HydrophobicContact CE2-CD1 4.15Å; Y248-L330 HydrophobicContact CE2-CD2 3.92Å; Y248-L330 HydrophobicContact CE2-CG 4.29Å; Y248-L330 HydrophobicContact CG-CD1 3.87Å; Y248-L330 HydrophobicContact CG-CG 4.43Å; A326-L330 WeakPolarHBondContact O-CA 3.34Å; A326-L330 WeakPolarHBondContact O-CB 3.5Å; A326-L330 PolarHBondContact O-N 3.11Å; L330-Y332 PolarHBondContact O-N 3.27Å
331G98.1Very high97.2Very high48 Ų4860.3 Ų60.350%0.49532%0.323SS..  trans68.824.6-16900000112.7A326 K327 E333A326-G331 PolarHBondContact O-N 3.04Å; K327-G331 VanDerWaalsContact O-CA 3.25Å; K327-G331 WeakPolarHBondContact O-CA 3.42Å; K327-G331 PolarHBondContact O-N 2.95Å; K327-G331 VanDerWaalsContact O-N 3.1Å; G331-E333 PolarHBondContact O-N 3Å
332Y98.5Very high97.2Very high2 Ų259.7 Ų59.71%0.00832%0.32CS..  trans-73.1112-174.6176.6-115.7000112.4N223 A227 L230 I250 S251 M323 A326 K327 L330 P334N223-Y332 WeakPolarHBondContact O-CE2 3.04Å; A227-Y332 HydrophobicContact CB-CD2 3.9Å; A227-Y332 HydrophobicContact CB-CE2 3.75Å; L230-Y332 HydrophobicContact CD1-CD2 4.19Å; I250-Y332 HydrophobicContact CD1-CD1 4.24Å; I250-Y332 HydrophobicContact CD1-CE1 4.39Å; I250-Y332 HydrophobicContact CG2-CE1 3.9Å; I250-Y332 HydrophobicContact CG2-CE2 4.37Å; I250-Y332 WeakPolarHBondContact CG2-OH 3.45Å; S251-Y332 WeakPolarHBondContact O-CE1 3.37Å; S251-Y332 PolarHBondContact O-OH 3.4Å; M323-Y332 HydrophobicContact SD-CD1 4.27Å; M323-Y332 HydrophobicContact SD-CE1 3.74Å; A326-Y332 HydrophobicContact CB-CD1 4.13Å; A326-Y332 PolarHBondContact O-N 3.45Å; K327-Y332 WeakPolarHBondContact CG-O 3.37Å; L330-Y332 PolarHBondContact O-N 3.27Å; Y332-P334 HydrophobicContact CE1-CB 4.42Å; Y332-P334 HydrophobicContact CE1-CG 4.43Å
333E97.8Very high97.1Very high149 Ų14958.2 Ų58.270%0.69631%0.31SS*.  trans-123.1107.8172.6-65.8-170.7165.800110.1G331 Q335G331-E333 PolarHBondContact O-N 3Å; E333-Q335 PolarHBondContact O-N 3.49Å
334P97.3Very high97.1Very high33 Ų3363 Ų6321%0.21433%0.332CS..PPolyproline II helixtrans-67.5136.2-177.626.6-32.9000110.9N223 M323 Y332N223-P334 HydrophobicContact CB-CB 4.48Å; N223-P334 WeakPolarHBondContact ND2-CB 3.42Å; M323-P334 HydrophobicContact CE-CG 4.17Å; Y332-P334 HydrophobicContact CE1-CB 4.42Å; Y332-P334 HydrophobicContact CE1-CG 4.43Å
335Q97.3Very high97Very high121 Ų12163.9 Ų63.957%0.56532%0.322SS*.PPolyproline II helixtrans-76.1153.8169.7-59.5-59.5-59.200110.3N223 E333 Y337N223-Q335 PolarHBondContact ND2-O 3.34Å; N223-Q335 PolarHBondContact OD1-N 3.37Å; E333-Q335 PolarHBondContact O-N 3.49Å; Q335-Y337 HydrophobicContact CB-CD2 4.34Å; Q335-Y337 HydrophobicContact CB-CE2 3.7Å; Q335-Y337 VanDerWaalsContact O-CD2 3.3Å; Q335-Y337 WeakPolarHBondContact O-CD2 3.36Å; Q335-Y337 PolarHBondContact O-N 3.43Å
336E95.2Very high96.9Very high162 Ų16262.4 Ų62.476%0.75732%0.316SS*.PPolyproline II helixtrans-79.5118.2179.1-171.1167.6-163.200111.3R254R254-E336 IonicContact NH1-OE1 3.1Å; R254-E336 PolarHBondContact NH1-OE1 2.98Å; R254-E336 VanDerWaalsContact NH1-OE1 3.07Å
337Y95.2Very high96.7Very high59 Ų5966.9 Ų66.923%0.23134%0.336CS..  trans-118.8160.1172.9-67.3-85.6000111.1Y185 H220 D222 N223 R254 Q335Y185-Y337 WeakPolarHBondContact OH-CB 3.45Å; Y185-Y337 PolarHBondContact OH-O 3.06Å; H220-Y337 HydrophobicContact CB-CD2 3.47Å; H220-Y337 VanDerWaalsContact CB-CD2 3.47Å; H220-Y337 HydrophobicContact CB-CE2 4.16Å; H220-Y337 HydrophobicContact CB-CG 3.76Å; H220-Y337 AromaticContact CE1-CD1 3.51Å; H220-Y337 AromaticContact CE1-CE1 3.63Å; H220-Y337 AromaticContact CE1-CG 3.92Å; H220-Y337 AromaticContact CG-CD1 3.83Å; H220-Y337 AromaticContact CG-CD2 3.51Å; H220-Y337 AromaticContact CG-CG 3.39Å; H220-Y337 AromaticContact ND1-CD1 3.26Å; H220-Y337 VanDerWaalsContact ND1-CD1 3.26Å; H220-Y337 WeakPolarHBondContact ND1-CD1 3.26Å; H220-Y337 AromaticContact ND1-CD2 3.32Å; H220-Y337 VanDerWaalsContact ND1-CD2 3.32Å; H220-Y337 WeakPolarHBondContact ND1-CD2 3.5Å; H220-Y337 AromaticContact ND1-CE1 3.39Å; H220-Y337 WeakPolarHBondContact ND1-CE1 3.31Å; H220-Y337 AromaticContact ND1-CE2 3.41Å; H220-Y337 WeakPolarHBondContact ND1-CE2 3.46Å; H220-Y337 AromaticContact ND1-CG 3.24Å; H220-Y337 AromaticContact ND1-CZ 3.49Å; D222-Y337 HydrophobicContact CB-CE1 4.36Å; D222-Y337 HydrophobicContact CB-CE2 4.11Å; D222-Y337 VanDerWaalsContact CB-OH 3.22Å; D222-Y337 WeakPolarHBondContact CB-OH 3.37Å; N223-Y337 WeakPolarHBondContact ND2-CD2 3.47Å; N223-Y337 WeakPolarHBondContact OD1-CE2 3.39Å; R254-Y337 PolarHBondContact NH2-O 2.75Å; Q335-Y337 HydrophobicContact CB-CD2 4.34Å; Q335-Y337 HydrophobicContact CB-CE2 3.7Å; Q335-Y337 VanDerWaalsContact O-CD2 3.3Å; Q335-Y337 WeakPolarHBondContact O-CD2 3.36Å; Q335-Y337 PolarHBondContact O-N 3.43Å
338N92.5Very high96.6Very high78 Ų7866.1 Ų66.142%0.41734%0.344SS..  trans-133.3-179.1174.37032.2000110E340N338-E340 VanDerWaalsContact ND2-CD 3.27Å; N338-E340 PolarHBondContact ND2-OE2 2.94Å; N338-E340 VanDerWaalsContact ND2-OE2 3.07Å; N338-E340 WeakPolarHBondContact OD1-CB 3.46Å; N338-E340 VanDerWaalsContact OD1-CG 3.27Å; N338-E340 WeakPolarHBondContact OD1-CG 3.44Å; N338-E340 PolarHBondContact OD1-N 2.91Å
339L96Very high96.4Very high6 Ų668.7 Ų68.73%0.03134%0.338CS..SBendtrans-88.16.3179.7-73.1177.5000114.2Y185 F261 F262 P264 L265 E341 V342 V343Y185-L339 HydrophobicContact CD2-CD2 3.63Å; Y185-L339 HydrophobicContact CE2-CD2 4.08Å; Y185-L339 HydrophobicContact CG-CD2 4.46Å; F261-L339 HydrophobicContact CD1-CD1 4.42Å; F261-L339 HydrophobicContact CE1-CD1 4.24Å; F261-L339 HydrophobicContact CE1-CD2 4.23Å; F261-L339 HydrophobicContact CZ-CD1 4.48Å; F261-L339 HydrophobicContact CZ-CD2 4.15Å; F261-L339 HydrophobicContact CZ-CG 4.35Å; F261-L339 WeakPolarHBondContact O-CD1 3.38Å; F262-L339 HydrophobicContact CD1-CD1 4.31Å; P264-L339 HydrophobicContact CB-CB 4.3Å; L265-L339 HydrophobicContact CB-CD1 4.15Å; L339-E341 PolarHBondContact O-N 3.24Å; L339-V342 HydrophobicContact CD2-CB 4.1Å; L339-V342 HydrophobicContact CD2-CG1 4.41Å; L339-V342 HydrophobicContact CD2-CG2 3.79Å; L339-V342 WeakPolarHBondContact O-CB 3.06Å; L339-V342 PolarHBondContact O-N 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.29Å; L339-V343 PolarHBondContact O-N 3.27Å
340E95.7Very high96.2Very high131 Ų13168.5 Ų68.561%0.61235%0.35SS*.Hα-helixtrans-63.9-44.7-176.4-66.3174.216200111.7N338 V342 V343 Q344N338-E340 VanDerWaalsContact ND2-CD 3.27Å; N338-E340 PolarHBondContact ND2-OE2 2.94Å; N338-E340 VanDerWaalsContact ND2-OE2 3.07Å; N338-E340 WeakPolarHBondContact OD1-CB 3.46Å; N338-E340 VanDerWaalsContact OD1-CG 3.27Å; N338-E340 WeakPolarHBondContact OD1-CG 3.44Å; N338-E340 PolarHBondContact OD1-N 2.91Å; E340-V342 PolarHBondContact O-N 2.84Å; E340-V343 WeakPolarHBondContact O-CB 3.18Å; E340-V343 PolarHBondContact O-N 3.34Å; E340-V343 VanDerWaalsContact O-N 3.12Å; E340-Q344 WeakPolarHBondContact O-CG 3.49Å; E340-Q344 PolarHBondContact O-N 3.38Å
341E95.4Very high96Very high64 Ų6471 Ų7130%0.29936%0.361SS..Hα-helixtrans-63-33.1176.461.9178.1164.700112.3P187 H220 L339 Q344 W345P187-E341 VanDerWaalsContact CD-CD 3.45Å; P187-E341 HydrophobicContact CG-CG 4.15Å; P187-E341 WeakPolarHBondContact CG-OE2 3.41Å; H220-E341 IonicContact CD2-OE1 3.66Å; H220-E341 IonicContact CE1-OE1 3.33Å; H220-E341 PolarHBondContact CE1-OE1 3.24Å; H220-E341 IonicContact NE2-OE1 3.01Å; H220-E341 PolarHBondContact NE2-OE1 3.5Å; L339-E341 PolarHBondContact O-N 3.24Å; E341-Q344 PolarHBondContact O-N 3.06Å; E341-W345 VanDerWaalsContact O-CB 3.23Å; E341-W345 WeakPolarHBondContact O-CB 3.32Å; E341-W345 PolarHBondContact O-N 2.86Å
342V96.9Very high95.6Very high0 Ų069.1 Ų69.10%034%0.343CS..Hα-helixtrans-65.6-46.4173.2176.60000110G186 L193 L265 L339 E340 Q344 W345 F346G186-V342 VanDerWaalsContact C-CG2 3.49Å; L193-V342 HydrophobicContact CD1-CG1 3.61Å; L193-V342 HydrophobicContact CD1-CG2 4.29Å; L265-V342 HydrophobicContact CD1-CG1 4Å; L339-V342 HydrophobicContact CD2-CB 4.1Å; L339-V342 HydrophobicContact CD2-CG1 4.41Å; L339-V342 HydrophobicContact CD2-CG2 3.79Å; L339-V342 WeakPolarHBondContact O-CB 3.06Å; L339-V342 PolarHBondContact O-N 3.29Å; E340-V342 PolarHBondContact O-N 2.84Å; V342-Q344 VanDerWaalsContact C-N 3.33Å; V342-Q344 PolarHBondContact O-N 3.1Å; V342-W345 WeakPolarHBondContact O-CB 3.17Å; V342-W345 PolarHBondContact O-N 3.39Å; V342-F346 HydrophobicContact CG1-CD2 3.86Å; V342-F346 HydrophobicContact CG1-CE2 3.8Å; V342-F346 VanDerWaalsContact O-CD2 3.29Å; V342-F346 WeakPolarHBondContact O-CD2 3.42Å; V342-F346 PolarHBondContact O-N 2.92Å
343V97.1Very high95Very high8 Ų877 Ų775%0.04837%0.372CS..Hα-helixtrans-58.3-47.1176170.90000110.4L265 L339 E340 W345 F346 K347L265-V343 HydrophobicContact CD1-CG2 3.95Å; L339-V343 WeakPolarHBondContact O-CG2 3.29Å; L339-V343 PolarHBondContact O-N 3.27Å; E340-V343 WeakPolarHBondContact O-CB 3.18Å; E340-V343 PolarHBondContact O-N 3.34Å; E340-V343 VanDerWaalsContact O-N 3.12Å; V343-W345 VanDerWaalsContact C-N 3.33Å; V343-W345 PolarHBondContact O-N 3.09Å; V343-F346 PolarHBondContact O-N 3.02Å; V343-K347 HydrophobicContact CG1-CD 4.05Å; V343-K347 HydrophobicContact CG1-CG 4.43Å; V343-K347 WeakPolarHBondContact O-CB 3.38Å; V343-K347 WeakPolarHBondContact O-CG 3.33Å; V343-K347 PolarHBondContact O-N 3.41Å
344Q96.8Very high94.1Very high114 Ų11477 Ų7753%0.53337%0.37SS..Hα-helixtrans-64.1-38.8178-64.5-55.1-24.500112E340 E341 V342 F346 K347 S348E340-Q344 WeakPolarHBondContact O-CG 3.49Å; E340-Q344 PolarHBondContact O-N 3.38Å; E341-Q344 PolarHBondContact O-N 3.06Å; V342-Q344 VanDerWaalsContact C-N 3.33Å; V342-Q344 PolarHBondContact O-N 3.1Å; Q344-F346 VanDerWaalsContact C-N 3.34Å; Q344-F346 PolarHBondContact O-N 3.37Å; Q344-K347 PolarHBondContact O-N 2.96Å; Q344-S348 WeakPolarHBondContact O-CB 3.2Å; Q344-S348 PolarHBondContact O-N 3.33Å; Q344-S348 PolarHBondContact O-OG 3.37Å
345W95.9Very high92.4Very high79 Ų7981.6 Ų81.630%0.29940%0.4SS..Hα-helixtrans-60-41.2176.6-179.6-93000113P187 G188 E341 V342 V343 S348 R349P187-W345 HydrophobicContact CB-CB 3.99Å; P187-W345 HydrophobicContact CB-CD2 4.04Å; P187-W345 HydrophobicContact CB-CE3 4.03Å; P187-W345 HydrophobicContact CB-CG 4.06Å; G188-W345 VanDerWaalsContact CA-CZ2 3.48Å; G188-W345 VanDerWaalsContact N-CE2 3.29Å; E341-W345 VanDerWaalsContact O-CB 3.23Å; E341-W345 WeakPolarHBondContact O-CB 3.32Å; E341-W345 PolarHBondContact O-N 2.86Å; V342-W345 WeakPolarHBondContact O-CB 3.17Å; V342-W345 PolarHBondContact O-N 3.39Å; V343-W345 VanDerWaalsContact C-N 3.33Å; V343-W345 PolarHBondContact O-N 3.09Å; W345-S348 PolarHBondContact O-OG 2.89Å; W345-S348 VanDerWaalsContact O-OG 3.07Å; W345-R349 PolarHBondContact O-NH1 3.49Å
346F96.7Very high90.4Very high10 Ų1086.4 Ų86.44%0.04441%0.413CS..Hα-helixtrans-73.8-43.2175.5-81.9-70000111.8L193 P194 V197 L265 L269 V342 V343 Q344 S348 R349 G350 H351L193-F346 HydrophobicContact CB-CE2 3.73Å; L193-F346 HydrophobicContact CB-CZ 3.7Å; L193-F346 HydrophobicContact CD1-CE2 4.41Å; P194-F346 HydrophobicContact CG-CE1 4.4Å; P194-F346 HydrophobicContact CG-CZ 4.2Å; V197-F346 HydrophobicContact CB-CD1 4.35Å; V197-F346 HydrophobicContact CB-CE1 4.17Å; V197-F346 HydrophobicContact CB-CZ 4.49Å; V197-F346 HydrophobicContact CG1-CD1 4.13Å; V197-F346 HydrophobicContact CG1-CE1 4.38Å; V197-F346 HydrophobicContact CG2-CD1 3.95Å; V197-F346 HydrophobicContact CG2-CD2 3.92Å; V197-F346 HydrophobicContact CG2-CE1 3.85Å; V197-F346 HydrophobicContact CG2-CE2 3.84Å; V197-F346 HydrophobicContact CG2-CG 4Å; V197-F346 HydrophobicContact CG2-CZ 3.81Å; L265-F346 HydrophobicContact CD1-CD2 4.18Å; L269-F346 HydrophobicContact CD2-CB 4.09Å; V342-F346 HydrophobicContact CG1-CD2 3.86Å; V342-F346 HydrophobicContact CG1-CE2 3.8Å; V342-F346 VanDerWaalsContact O-CD2 3.29Å; V342-F346 WeakPolarHBondContact O-CD2 3.42Å; V342-F346 PolarHBondContact O-N 2.92Å; V343-F346 PolarHBondContact O-N 3.02Å; Q344-F346 VanDerWaalsContact C-N 3.34Å; Q344-F346 PolarHBondContact O-N 3.37Å; F346-S348 PolarHBondContact O-N 3.28Å; F346-R349 CarbonylContact O-C 3.54Å; F346-R349 WeakPolarHBondContact O-CA 3.22Å; F346-R349 PolarHBondContact O-N 3.49Å; F346-G350 PolarHBondContact O-N 3.14Å; F346-H351 HydrophobicContact CB-CB 3.96Å; F346-H351 HydrophobicContact CD1-CB 4.37Å; F346-H351 AromaticContact CD1-CD2 3.63Å; F346-H351 AromaticContact CD1-CG 3.95Å; F346-H351 WeakPolarHBondContact O-CB 3.28Å; F346-H351 PolarHBondContact O-N 2.78Å; F346-H351 VanDerWaalsContact O-N 3.14Å
347K95.5Very high88.6Confident94 Ų9481.2 Ų81.241%0.40940%0.403SS..Hα-helixtrans-58.4-44.5177.3-79.2-178.2176.3172.90112.8G268 L269 V343 Q344 R349 G350G268-K347 WeakPolarHBondContact O-CE 3.37Å; G268-K347 PolarHBondContact O-NZ 3.28Å; L269-K347 HydrophobicContact CD2-CG 4.16Å; V343-K347 HydrophobicContact CG1-CD 4.05Å; V343-K347 HydrophobicContact CG1-CG 4.43Å; V343-K347 WeakPolarHBondContact O-CB 3.38Å; V343-K347 WeakPolarHBondContact O-CG 3.33Å; V343-K347 PolarHBondContact O-N 3.41Å; Q344-K347 PolarHBondContact O-N 2.96Å; K347-R349 PolarHBondContact O-N 3.46Å; K347-R349 VanDerWaalsContact O-N 3.11Å; K347-G350 PolarHBondContact O-N 2.88Å
348S95.5Very high86.8Confident92 Ų9281.8 Ų81.864%0.64342%0.415SS*.THydrogen-bonded Turntrans-64-15.6178.365.70000113.4Q344 W345 F346Q344-S348 WeakPolarHBondContact O-CB 3.2Å; Q344-S348 PolarHBondContact O-N 3.33Å; Q344-S348 PolarHBondContact O-OG 3.37Å; W345-S348 PolarHBondContact O-OG 2.89Å; W345-S348 VanDerWaalsContact O-OG 3.07Å; F346-S348 PolarHBondContact O-N 3.28Å
349R94.6Very high85.3Confident126 Ų12688.1 Ų88.148%0.47543%0.433SS..THydrogen-bonded Turntrans-101.213.6174.6-70.5174.3176.568.77.6113.5W345 F346 K347W345-R349 PolarHBondContact O-NH1 3.49Å; F346-R349 CarbonylContact O-C 3.54Å; F346-R349 WeakPolarHBondContact O-CA 3.22Å; F346-R349 PolarHBondContact O-N 3.49Å; K347-R349 PolarHBondContact O-N 3.46Å; K347-R349 VanDerWaalsContact O-N 3.11Å
350G93.7Very high83.7Confident49 Ų4993.1 Ų93.151%0.50546%0.46SS..THydrogen-bonded Turntrans79.914.9174.700000114.9F346 K347 K354F346-G350 PolarHBondContact O-N 3.14Å; K347-G350 PolarHBondContact O-N 2.88Å; G350-K354 WeakPolarHBondContact O-CE 3.45Å
351H94.1Very high82.1Confident65 Ų6593.9 Ų93.930%0.30146%0.463SS..  trans-82.6156.4169.8-67-84.3000111.7V197 E201 L269 F346V197-H351 HydrophobicContact CG1-CB 4.17Å; E201-H351 WeakPolarHBondContact OE1-CA 3.47Å; E201-H351 VanDerWaalsContact OE1-CB 3.26Å; E201-H351 WeakPolarHBondContact OE1-CB 3.48Å; E201-H351 IonicContact OE1-CG 2.81Å; E201-H351 IonicContact OE1-ND1 2.86Å; E201-H351 PolarHBondContact OE1-ND1 3.14Å; E201-H351 VanDerWaalsContact OE1-ND1 3.12Å; E201-H351 IonicContact OE2-CE1 3.21Å; E201-H351 IonicContact OE2-ND1 3.83Å; E201-H351 PolarHBondContact OE2-ND1 3.11Å; L269-H351 HydrophobicContact CD2-CB 4.48Å; F346-H351 HydrophobicContact CB-CB 3.96Å; F346-H351 HydrophobicContact CD1-CB 4.37Å; F346-H351 AromaticContact CD1-CD2 3.63Å; F346-H351 AromaticContact CD1-CG 3.95Å; F346-H351 WeakPolarHBondContact O-CB 3.28Å; F346-H351 PolarHBondContact O-N 2.78Å; F346-H351 VanDerWaalsContact O-N 3.14Å
352G89.9Confident80.7Confident10 Ų1097.1 Ų97.110%0.10347%0.472CS..SBendtrans120172.2-17800000112.7E201 L269 Y271 K354E201-G352 PolarHBondContact OE1-N 3.21Å; L269-G352 WeakPolarHBondContact O-CA 3.5Å; Y271-G352 PolarHBondContact OH-O 2.83Å; G352-K354 PolarHBondContact O-N 3.09Å
353R86.4Confident79.4Confident167 Ų167102.3 Ų102.363%0.6350%0.5SS*.  trans-63106.8-173.3-175.7170.1175.4178.7-1.1111.8L269 G270 Y271L269-R353 PolarHBondContact O-N 3.47Å; G270-R353 WeakPolarHBondContact O-CD 3.17Å; G270-R353 PolarHBondContact O-NH1 3.22Å; Y271-R353 HydrophobicContact CD2-CB 4.49Å; Y271-R353 HydrophobicContact CE2-CB 4.08Å
354K79.1Confident78.2Confident148 Ų148106.6 Ų106.664%0.64352%0.521SS*.  trans-76.5151.4172.3-61.7-177.1-177.7178.40111.2G350 G352 R356G350-K354 WeakPolarHBondContact O-CE 3.45Å; G352-K354 PolarHBondContact O-N 3.09Å; K354-R356 PolarHBondContact O-N 2.87Å
355P60Low77Confident130 Ų130103.4 Ų103.484%0.84451%0.508SS*.SBendtrans-53.2132.6169.6-22.733.5000110.2G357P355-G357 PolarHBondContact O-N 3.42Å
356R57Low75.9Confident223 Ų223102.4 Ų102.484%0.84251%0.508SS*.  trans-27.6114.5-163.5-77.9174.9170157.8-3116.4K354K354-R356 PolarHBondContact O-N 2.87Å
357G56.9Low74.7Confident53 Ų53103.9 Ų103.955%0.54653%0.526SS..  trans-74.9157.7158.400000113.8P355 R362P355-G357 PolarHBondContact O-N 3.42Å; G357-R362 PolarHBondContact O-NH2 2.89Å
358S57.5Low73.8Confident71 Ų71104.9 Ų104.950%0.49754%0.535SS..  trans-40.9126.8-172163.90000115.2L360 Q361S358-L360 PolarHBondContact O-N 3.45Å; S358-L360 VanDerWaalsContact O-N 3.15Å; S358-L360 WeakPolarHBondContact OG-CB 3.1Å; S358-L360 PolarHBondContact OG-N 3.25Å; S358-Q361 PolarHBondContact O-N 3.02Å
359R61.2Low72.5Confident211 Ų211103.6 Ų103.680%0.79652%0.521SS*.Hα-helixtrans-57.3-25.2175.9-157.5177.2-169.4-179.82112.6R362 L363R359-R362 PolarHBondContact O-N 3.03Å; R359-L363 WeakPolarHBondContact O-CG 3.32Å; R359-L363 PolarHBondContact O-N 2.86Å
360L60.9Low71.4Confident111 Ų111103.1 Ų103.158%0.58153%0.527SS*.Hα-helixtrans-69.6-41.3-177.1-171.464.3000112.7S358 R362 L363 I364S358-L360 PolarHBondContact O-N 3.45Å; S358-L360 VanDerWaalsContact O-N 3.15Å; S358-L360 WeakPolarHBondContact OG-CB 3.1Å; S358-L360 PolarHBondContact OG-N 3.25Å; L360-R362 VanDerWaalsContact C-N 3.28Å; L360-R362 PolarHBondContact O-N 3.5Å; L360-L363 PolarHBondContact O-N 3.18Å; L360-I364 HydrophobicContact CG-CD1 4.2Å; L360-I364 WeakPolarHBondContact O-CG1 3.42Å; L360-I364 PolarHBondContact O-N 3.44Å
361Q63.9Low70.2Confident147 Ų147103.5 Ų103.569%0.68753%0.525SS*.Hα-helixtrans-62.4-36.7177.5-88.1179.7-26.100112.2S358 L365S358-Q361 PolarHBondContact O-N 3.02Å; Q361-L365 WeakPolarHBondContact O-CB 3.5Å; Q361-L365 PolarHBondContact O-N 2.75Å; Q361-L365 VanDerWaalsContact O-N 3.09Å
362R64.8Low69Low131 Ų131103.4 Ų103.449%0.49454%0.536SS..Hα-helixtrans-65.2-45.9175.7-89.3-179.6-86-163.9-8112G357 R359 L360 I364 L365 D366G357-R362 PolarHBondContact O-NH2 2.89Å; R359-R362 PolarHBondContact O-N 3.03Å; L360-R362 VanDerWaalsContact C-N 3.28Å; L360-R362 PolarHBondContact O-N 3.5Å; R362-I364 VanDerWaalsContact C-N 3.33Å; R362-I364 PolarHBondContact O-N 2.89Å; R362-L365 PolarHBondContact O-N 3.44Å; R362-D366 WeakPolarHBondContact O-CB 3.46Å; R362-D366 PolarHBondContact O-N 3.49Å
363L70.9Confident68.1Low109 Ų109107 Ų10757%0.57156%0.556SS**Hα-helixtrans-62-39.4178.5-70.3169.4000112.5R359 L360 G367R359-L363 WeakPolarHBondContact O-CG 3.32Å; R359-L363 PolarHBondContact O-N 2.86Å; L360-L363 PolarHBondContact O-N 3.18Å; L363-G367 PolarHBondContact O-N 3.3Å
364I71.8Confident67.2Low98 Ų98102.5 Ų102.550%0.50355%0.547SS..Hα-helixtrans-64.6-46.3175.8-66.7167.7000110.5L360 R362 G367 L368L360-I364 HydrophobicContact CG-CD1 4.2Å; L360-I364 WeakPolarHBondContact O-CG1 3.42Å; L360-I364 PolarHBondContact O-N 3.44Å; R362-I364 VanDerWaalsContact C-N 3.33Å; R362-I364 PolarHBondContact O-N 2.89Å; I364-G367 PolarHBondContact O-N 2.77Å; I364-L368 HydrophobicContact CG2-CD1 4.23Å; I364-L368 WeakPolarHBondContact O-CG 3.47Å; I364-L368 PolarHBondContact O-N 3.19Å
365L70.1Confident66.6Low48 Ų4898.4 Ų98.425%0.25154%0.54SS..Hα-helixtrans-64.8-41.8179.3-164.175000111.6I204 Q361 R362 G367 L368 L369I204-L365 HydrophobicContact CG1-CD2 4.27Å; Q361-L365 WeakPolarHBondContact O-CB 3.5Å; Q361-L365 PolarHBondContact O-N 2.75Å; Q361-L365 VanDerWaalsContact O-N 3.09Å; R362-L365 PolarHBondContact O-N 3.44Å; L365-G367 VanDerWaalsContact C-N 3.33Å; L365-G367 PolarHBondContact O-N 2.65Å; L365-L368 PolarHBondContact O-N 3.35Å; L365-L369 WeakPolarHBondContact O-CB 3.28Å; L365-L369 PolarHBondContact O-N 3.03Å
366D74.3Confident66.7Low58 Ų5894 Ų9431%0.3151%0.509SS..Hα-helixtrans-59.3-43.8174.6-71.2-32.9000111.2R206 R362 L369 L370R206-D366 IonicContact CZ-OD1 3.11Å; R206-D366 IonicContact NH1-OD1 2.65Å; R206-D366 PolarHBondContact NH1-OD1 3.39Å; R206-D366 IonicContact NH2-OD1 2.77Å; R206-D366 PolarHBondContact NH2-OD1 2.94Å; R362-D366 WeakPolarHBondContact O-CB 3.46Å; R362-D366 PolarHBondContact O-N 3.49Å; D366-L369 PolarHBondContact O-N 2.96Å; D366-L370 VanDerWaalsContact O-CB 3.32Å; D366-L370 WeakPolarHBondContact O-CB 3.47Å; D366-L370 PolarHBondContact O-N 3.22Å
367G71.6Confident67.1Low40 Ų4086.2 Ų86.241%0.41249%0.493SS..Hα-helixtrans-63.3-43.2176.900000113.3L363 I364 L365 L370 A371L363-G367 PolarHBondContact O-N 3.3Å; I364-G367 PolarHBondContact O-N 2.77Å; L365-G367 VanDerWaalsContact C-N 3.33Å; L365-G367 PolarHBondContact O-N 2.65Å; G367-L370 PolarHBondContact O-N 3.3Å; G367-A371 WeakPolarHBondContact O-CB 3.26Å; G367-A371 PolarHBondContact O-N 2.93Å
368L74.8Confident67.5Low115 Ų11588.7 Ų88.760%0.60249%0.493SS*.Hα-helixtrans-66.4-40.9176.9-71.3173000112.3I364 L365 A371 A372I364-L368 HydrophobicContact CG2-CD1 4.23Å; I364-L368 WeakPolarHBondContact O-CG 3.47Å; I364-L368 PolarHBondContact O-N 3.19Å; L365-L368 PolarHBondContact O-N 3.35Å; L368-A371 PolarHBondContact O-N 3.36Å; L368-A372 PolarHBondContact O-N 3.4Å
369L68.8Low67.8Low66 Ų6689 Ų8935%0.34650%0.495SS..Hα-helixtrans-67-40.6178.9-142.6118.9000110.9L365 D366 A372 V373L365-L369 WeakPolarHBondContact O-CB 3.28Å; L365-L369 PolarHBondContact O-N 3.03Å; D366-L369 PolarHBondContact O-N 2.96Å; L369-A372 PolarHBondContact O-N 2.85Å; L369-V373 WeakPolarHBondContact O-CG2 3.33Å; L369-V373 PolarHBondContact O-N 3.12Å
370L72.4Confident67.4Low115 Ų11586.6 Ų86.660%0.60249%0.487SS*.Hα-helixtrans-62.5-45.6173.5-176.366.2000111.3D366 G367 A372 V373 V374D366-L370 VanDerWaalsContact O-CB 3.32Å; D366-L370 WeakPolarHBondContact O-CB 3.47Å; D366-L370 PolarHBondContact O-N 3.22Å; G367-L370 PolarHBondContact O-N 3.3Å; L370-A372 VanDerWaalsContact C-N 3.32Å; L370-A372 PolarHBondContact O-N 2.87Å; L370-V373 PolarHBondContact O-N 2.81Å; L370-V374 HydrophobicContact CD1-CG2 4.46Å; L370-V374 HydrophobicContact CG-CG2 4.46Å; L370-V374 WeakPolarHBondContact O-CB 3.32Å; L370-V374 VanDerWaalsContact O-CG2 3.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.38Å; L370-V374 PolarHBondContact O-N 2.81Å
371A67.7Low67.2Low57 Ų5786.4 Ų86.447%0.47149%0.486SS..Hα-helixtrans-60.3-40.5177.100000112.2G367 L368 V374 A375G367-A371 WeakPolarHBondContact O-CB 3.26Å; G367-A371 PolarHBondContact O-N 2.93Å; L368-A371 PolarHBondContact O-N 3.36Å; A371-V374 PolarHBondContact O-N 2.97Å; A371-A375 WeakPolarHBondContact O-CB 3.43Å; A371-A375 PolarHBondContact O-N 3.29Å
372A69.2Low66.3Low63 Ų6384.4 Ų84.452%0.52149%0.485SS..Hα-helixtrans-65.7-42.217600000112.5L368 L369 L370 A375 L376L368-A372 PolarHBondContact O-N 3.4Å; L369-A372 PolarHBondContact O-N 2.85Å; L370-A372 VanDerWaalsContact C-N 3.32Å; L370-A372 PolarHBondContact O-N 2.87Å; A372-A375 PolarHBondContact O-N 2.97Å; A372-L376 WeakPolarHBondContact O-CB 3.41Å; A372-L376 PolarHBondContact O-N 3.44Å
373V70.3Confident65.6Low87 Ų8785 Ų8553%0.52750%0.503SS..Hα-helixtrans-64.3-41.3175.4171.10000111.2L369 L370 L376 A377L369-V373 WeakPolarHBondContact O-CG2 3.33Å; L369-V373 PolarHBondContact O-N 3.12Å; L370-V373 PolarHBondContact O-N 2.81Å; V373-L376 PolarHBondContact O-N 3.27Å; V373-A377 WeakPolarHBondContact O-CB 3.45Å; V373-A377 PolarHBondContact O-N 3.37Å
374V68.3Low64.6Low72 Ų7286.2 Ų86.244%0.43652%0.515SS..Hα-helixtrans-65.8-47.5176.8170.60000110.9L370 A371 L376 A377 L378L370-V374 HydrophobicContact CD1-CG2 4.46Å; L370-V374 HydrophobicContact CG-CG2 4.46Å; L370-V374 WeakPolarHBondContact O-CB 3.32Å; L370-V374 VanDerWaalsContact O-CG2 3.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.38Å; L370-V374 PolarHBondContact O-N 2.81Å; A371-V374 PolarHBondContact O-N 2.97Å; V374-L376 PolarHBondContact O-N 3.49Å; V374-A377 PolarHBondContact O-N 3Å; V374-A377 VanDerWaalsContact O-N 3.14Å; V374-L378 HydrophobicContact CG1-CD1 3.89Å; V374-L378 HydrophobicContact CG1-CG 4.28Å; V374-L378 WeakPolarHBondContact O-CB 3.49Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.38Å; V374-L378 PolarHBondContact O-N 3.27Å
375A66.1Low63.5Low61 Ų6184.4 Ų84.450%0.50452%0.521SS..Hα-helixtrans-57.8-40.1177.500000111.9A371 A372 L378 S379A371-A375 WeakPolarHBondContact O-CB 3.43Å; A371-A375 PolarHBondContact O-N 3.29Å; A372-A375 PolarHBondContact O-N 2.97Å; A375-L378 PolarHBondContact O-N 3.24Å; A375-S379 PolarHBondContact O-N 3.09Å; A375-S379 VanDerWaalsContact O-N 3.11Å
376L62.4Low62Low38 Ų3891.7 Ų91.720%0.19958%0.576CS.*Hα-helixtrans-68.7-43.5175.3-171.390.4000112.2L282 F285 A372 V373 V374 L378 S379 Y380L282-L376 HydrophobicContact CD1-CD1 4.44Å; L282-L376 HydrophobicContact CD1-CD2 3.28Å; L282-L376 HydrophobicContact CD1-CG 4.43Å; F285-L376 HydrophobicContact CD1-CD1 3.85Å; F285-L376 HydrophobicContact CE1-CD1 3.73Å; A372-L376 WeakPolarHBondContact O-CB 3.41Å; A372-L376 PolarHBondContact O-N 3.44Å; V373-L376 PolarHBondContact O-N 3.27Å; V374-L376 PolarHBondContact O-N 3.49Å; L376-L378 VanDerWaalsContact C-N 3.26Å; L376-L378 PolarHBondContact O-N 3.42Å; L376-S379 PolarHBondContact O-N 2.85Å; L376-S379 VanDerWaalsContact O-N 3.14Å; L376-S379 PolarHBondContact O-OG 2.97Å; L376-Y380 HydrophobicContact CG-CE2 4.31Å; L376-Y380 VanDerWaalsContact O-CD2 3.31Å; L376-Y380 WeakPolarHBondContact O-CD2 3.37Å
377A66.2Low61.3Low59 Ų5993.4 Ų93.449%0.48859%0.589SS.*Hα-helixtrans-60.3-39.4175.900000111.4V373 V374 S379 Y380V373-A377 WeakPolarHBondContact O-CB 3.45Å; V373-A377 PolarHBondContact O-N 3.37Å; V374-A377 PolarHBondContact O-N 3Å; V374-A377 VanDerWaalsContact O-N 3.14Å; A377-S379 VanDerWaalsContact C-N 3.33Å; A377-S379 PolarHBondContact O-N 3.3Å; A377-Y380 PolarHBondContact O-N 3.06Å
378L64.4Low60.8Low106 Ų10696.2 Ų96.256%0.55560%0.598SS**Hα-helixtrans-66.6-30176.1-68.1173.9000112.8V374 A375 L376 Y380 L381V374-L378 HydrophobicContact CG1-CD1 3.89Å; V374-L378 HydrophobicContact CG1-CG 4.28Å; V374-L378 WeakPolarHBondContact O-CB 3.49Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.38Å; V374-L378 PolarHBondContact O-N 3.27Å; A375-L378 PolarHBondContact O-N 3.24Å; L376-L378 VanDerWaalsContact C-N 3.26Å; L376-L378 PolarHBondContact O-N 3.42Å; L378-Y380 PolarHBondContact O-N 3.49Å; L378-L381 HydrophobicContact CD2-CD1 3.68Å; L378-L381 PolarHBondContact O-N 3.36Å
379S63.2Low60Low76 Ų7695.2 Ų95.253%0.53160%0.598SS.*Hα-helixtrans-71.9-13.9176.468.50000114.3A375 L376 A377A375-S379 PolarHBondContact O-N 3.09Å; A375-S379 VanDerWaalsContact O-N 3.11Å; L376-S379 PolarHBondContact O-N 2.85Å; L376-S379 VanDerWaalsContact O-N 3.14Å; L376-S379 PolarHBondContact O-OG 2.97Å; A377-S379 VanDerWaalsContact C-N 3.33Å; A377-S379 PolarHBondContact O-N 3.3Å
380Y54.2Low59.5Low162 Ų16296.9 Ų96.964%0.63561%0.613SS**THydrogen-bonded Turntrans-98.4-4.5174.6-77.3-83.2000113.4L376 A377 L378L376-Y380 HydrophobicContact CG-CE2 4.31Å; L376-Y380 VanDerWaalsContact O-CD2 3.31Å; L376-Y380 WeakPolarHBondContact O-CD2 3.37Å; A377-Y380 PolarHBondContact O-N 3.06Å; L378-Y380 PolarHBondContact O-N 3.49Å
381L55.6Low58.7Low107 Ų10795.8 Ų95.856%0.5661%0.614SS**SBendtrans-73.9132.9169.4-68.7174000108.5L378 V383L378-L381 HydrophobicContact CD2-CD1 3.68Å; L378-L381 PolarHBondContact O-N 3.36Å; L381-V383 PolarHBondContact O-N 3.37Å
382P45.2Very low58.1Low104 Ų10498.3 Ų98.368%0.67562%0.623SS**  trans-56.3129.4171.222.9-30.4000108.1V384P382-V384 VanDerWaalsContact C-N 3.34Å; P382-V384 PolarHBondContact O-N 3.27Å
383V50.2Low57.3Low143 Ų143100.9 Ų100.987%0.86763%0.63SS**  trans-61.5101.4173-179.20000106.7L381 G385L381-V383 PolarHBondContact O-N 3.37Å; V383-G385 VanDerWaalsContact C-N 3.35Å; V383-G385 PolarHBondContact O-N 3.15Å
384V49.1Very low56.3Low136 Ų136101.9 Ų101.982%0.82464%0.638SS**  trans-75.495173.3-179.80000106.8P382P382-V384 VanDerWaalsContact C-N 3.34Å; P382-V384 PolarHBondContact O-N 3.27Å
385G50.5Low55.3Low60 Ų60104.4 Ų104.462%0.61966%0.655SS**  trans70.5108.4154.800000117.6V383V383-G385 VanDerWaalsContact C-N 3.35Å; V383-G385 PolarHBondContact O-N 3.15Å
386S36.7Very low54.3Low201 Ų201108.4 Ų108.4100%1.40667%0.669SS**  -162.50125.8-68.50000108.8

Retrieved 386 of 386 residues in 2072.6 ms (Link to these results)

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